A0A096M3K4_POEFO Loading...

Potassium channel, subfamily K, member 5a

AlphaFold DB , UniProt , Accession A0A096M3K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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
1M51.2Low80.7Confident217 Ų217108.7 Ų108.7100%1.06962%0.621SS**  0-11.20-90.8168.461.400112.5D3M1-D3 PolarHBondContact O-N 3.41Å
2V56.3Low81.9Confident129 Ų129107 Ų10778%0.78261%0.606SS**G310 helixtrans-64-35.8-177.5-176.20000113.4K4 G5V2-K4 PolarHBondContact O-N 3.47Å; V2-K4 VanDerWaalsContact O-N 3.08Å; V2-G5 PolarHBondContact O-N 3.05Å
3D64.3Low83Confident151 Ų151106.8 Ų106.881%0.80760%0.601SS**G310 helixtrans-70.9-8.2-174.8-46.2-35000115.8M1M1-D3 PolarHBondContact O-N 3.41Å
4K75.1Confident84Confident139 Ų139108.9 Ų108.960%0.60460%0.601SS**G310 helixtrans-93.7-15.9-179.1-66.1-174.3-178.7-179.60113.8V2 L7 L8V2-K4 PolarHBondContact O-N 3.47Å; V2-K4 VanDerWaalsContact O-N 3.08Å; K4-L7 PolarHBondContact O-N 3.44Å; K4-L8 PolarHBondContact O-N 3.36Å; K4-L8 VanDerWaalsContact O-N 3.14Å
5G83.4Confident84.9Confident36 Ų36113.9 Ų113.937%0.37161%0.609SS.*Hα-helixtrans-57.6-54.4-179.400000112.5V2 L7 L8 T9V2-G5 PolarHBondContact O-N 3.05Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.45Å; G5-L8 PolarHBondContact O-N 2.95Å; G5-L8 VanDerWaalsContact O-N 3.11Å; G5-T9 PolarHBondContact O-N 2.6Å; G5-T9 PolarHBondContact O-OG1 3.29Å
6P91.2Very high85.7Confident90 Ų90113.8 Ų113.858%0.58461%0.607SS**Hα-helixtrans-61.5-31.1-178.7-25.135000114.3T9 S10P6-T9 WeakPolarHBondContact CA-OG1 3.37Å; P6-T9 PolarHBondContact O-OG1 3.28Å; P6-S10 WeakPolarHBondContact O-CB 3.41Å; P6-S10 PolarHBondContact O-N 3.11Å; P6-S10 VanDerWaalsContact O-N 3.12Å; P6-S10 PolarHBondContact O-OG 3.36Å
7L92.1Very high86.4Confident130 Ų130111.1 Ų111.168%0.68160%0.6SS**Hα-helixtrans-74.3-36.3177.4-170.6146.2000111.7K4 G5 S10 A11K4-L7 PolarHBondContact O-N 3.44Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.45Å; L7-S10 WeakPolarHBondContact CA-OG 3.36Å; L7-S10 PolarHBondContact O-OG 3.06Å; L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3Å; L7-A11 VanDerWaalsContact O-N 3.1Å
8L91.7Very high87Confident110 Ų110108.9 Ų108.958%0.57659%0.587SS**Hα-helixtrans-69-42.8175.6-172.970.6000111.3K4 G5 A11 I12K4-L8 PolarHBondContact O-N 3.36Å; K4-L8 VanDerWaalsContact O-N 3.14Å; G5-L8 PolarHBondContact O-N 2.95Å; G5-L8 VanDerWaalsContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 3.04Å; L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 2.97Å
9T93.1Very high87.5Confident80 Ų80104.4 Ų104.449%0.49157%0.569SS.*Hα-helixtrans-63.5-46.3178.754.20000111.5G5 P6 A11 I12 I13G5-T9 PolarHBondContact O-N 2.6Å; G5-T9 PolarHBondContact O-OG1 3.29Å; P6-T9 WeakPolarHBondContact CA-OG1 3.37Å; P6-T9 PolarHBondContact O-OG1 3.28Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.94Å; T9-I12 PolarHBondContact O-N 3.49Å; T9-I13 VanDerWaalsContact O-CG1 3.32Å; T9-I13 WeakPolarHBondContact O-CG1 3.29Å; T9-I13 PolarHBondContact O-N 3.01Å
10S94.4Very high88.1Confident64 Ų64102.2 Ų102.245%0.44857%0.565SS.*Hα-helixtrans-60.2-39.6174.750.20000112.9P6 L7 F14P6-S10 WeakPolarHBondContact O-CB 3.41Å; P6-S10 PolarHBondContact O-N 3.11Å; P6-S10 VanDerWaalsContact O-N 3.12Å; P6-S10 PolarHBondContact O-OG 3.36Å; L7-S10 WeakPolarHBondContact CA-OG 3.36Å; L7-S10 PolarHBondContact O-OG 3.06Å; S10-F14 WeakPolarHBondContact O-CB 3.47Å; S10-F14 PolarHBondContact O-N 3.16Å
11A95.1Very high88.5Confident50 Ų5099.9 Ų99.941%0.41356%0.559SS.*Hα-helixtrans-65.4-39.1174.600000113L7 L8 T9 F14 Y15L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3Å; L7-A11 VanDerWaalsContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 3.04Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.94Å; A11-F14 PolarHBondContact O-N 3.25Å; A11-Y15 WeakPolarHBondContact O-CB 3.45Å; A11-Y15 PolarHBondContact O-N 3.4Å
12I95.1Very high90.8Very high88 Ų8893.9 Ų93.945%0.45153%0.53SS..Hα-helixtrans-67.2-45.7176.3-69.5168.2000110.7L8 T9 F14 Y15 L16L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 2.97Å; T9-I12 PolarHBondContact O-N 3.49Å; I12-F14 VanDerWaalsContact C-N 3.28Å; I12-F14 PolarHBondContact O-N 3.42Å; I12-Y15 WeakPolarHBondContact O-CB 3.4Å; I12-Y15 PolarHBondContact O-N 2.9Å; I12-Y15 VanDerWaalsContact O-N 3.12Å; I12-L16 HydrophobicContact CG2-CD1 4.08Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.32Å
13I96.4Very high92.7Very high105 Ų10594.3 Ų94.354%0.53852%0.522SS..Hα-helixtrans-56.7-47.2176.4-68.5167.2000109.6T9 Y15 L16 S17T9-I13 VanDerWaalsContact O-CG1 3.32Å; T9-I13 WeakPolarHBondContact O-CG1 3.29Å; T9-I13 PolarHBondContact O-N 3.01Å; I13-Y15 PolarHBondContact O-N 3.41Å; I13-L16 PolarHBondContact O-N 3.3Å; I13-S17 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-OG 3.49Å
14F96.9Very high94.3Very high135 Ų13592.6 Ų92.659%0.59251%0.509SS*.Hα-helixtrans-61.1-41.5176.8-176.7-109.5000113S10 A11 I12 S17 I18S10-F14 WeakPolarHBondContact O-CB 3.47Å; S10-F14 PolarHBondContact O-N 3.16Å; A11-F14 PolarHBondContact O-N 3.25Å; I12-F14 VanDerWaalsContact C-N 3.28Å; I12-F14 PolarHBondContact O-N 3.42Å; F14-S17 PolarHBondContact O-N 2.75Å; F14-I18 HydrophobicContact CD1-CD1 3.72Å; F14-I18 HydrophobicContact CD2-CD1 4.46Å; F14-I18 HydrophobicContact CE1-CD1 3.21Å; F14-I18 HydrophobicContact CE1-CG1 4.32Å; F14-I18 HydrophobicContact CE2-CD1 4.03Å; F14-I18 HydrophobicContact CE2-CG1 4.38Å; F14-I18 HydrophobicContact CG-CD1 4.34Å; F14-I18 HydrophobicContact CZ-CD1 3.39Å; F14-I18 HydrophobicContact CZ-CG1 4.2Å; F14-I18 WeakPolarHBondContact O-CG1 3.38Å; F14-I18 PolarHBondContact O-N 3.36Å
15Y96.8Very high95.4Very high184 Ų18491.1 Ų91.172%0.72251%0.512SS*.Hα-helixtrans-61.6-43.4175.5-176.7-100.2000112A11 I12 I13 I18 G19A11-Y15 WeakPolarHBondContact O-CB 3.45Å; A11-Y15 PolarHBondContact O-N 3.4Å; I12-Y15 WeakPolarHBondContact O-CB 3.4Å; I12-Y15 PolarHBondContact O-N 2.9Å; I12-Y15 VanDerWaalsContact O-N 3.12Å; I13-Y15 PolarHBondContact O-N 3.41Å; Y15-I18 PolarHBondContact O-N 2.88Å; Y15-G19 PolarHBondContact O-N 3.25Å
16L97.4Very high96Very high112 Ų11294.7 Ų94.759%0.58652%0.522SS*.Hα-helixtrans-65.2-41.3175.6-67.3175.3000111.9I12 I13 G19 A20I12-L16 HydrophobicContact CG2-CD1 4.08Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 3.3Å; L16-G19 PolarHBondContact O-N 3.18Å; L16-A20 WeakPolarHBondContact O-CB 3.28Å; L16-A20 PolarHBondContact O-N 3.16Å
17S97.6Very high96.3Very high68 Ų6895.5 Ų95.548%0.47652%0.517SS..Hα-helixtrans-63-43.3177.4-57.60000112.3I13 F14 A21I13-S17 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-OG 3.49Å; F14-S17 PolarHBondContact O-N 2.75Å; S17-A21 WeakPolarHBondContact O-CB 3.46Å; S17-A21 PolarHBondContact O-N 3.46Å
18I97.9Very high96.5Very high73 Ų7392.3 Ų92.337%0.37450%0.499SS..Hα-helixtrans-63.8-45.4174-69.1168.8000110.4F14 Y15 A20 A21 I22F14-I18 HydrophobicContact CD1-CD1 3.72Å; F14-I18 HydrophobicContact CD2-CD1 4.46Å; F14-I18 HydrophobicContact CE1-CD1 3.21Å; F14-I18 HydrophobicContact CE1-CG1 4.32Å; F14-I18 HydrophobicContact CE2-CD1 4.03Å; F14-I18 HydrophobicContact CE2-CG1 4.38Å; F14-I18 HydrophobicContact CG-CD1 4.34Å; F14-I18 HydrophobicContact CZ-CD1 3.39Å; F14-I18 HydrophobicContact CZ-CG1 4.2Å; F14-I18 WeakPolarHBondContact O-CG1 3.38Å; F14-I18 PolarHBondContact O-N 3.36Å; Y15-I18 PolarHBondContact O-N 2.88Å; I18-A20 PolarHBondContact O-N 2.84Å; I18-A21 PolarHBondContact O-N 2.91Å; I18-I22 HydrophobicContact CG2-CD1 3.62Å; I18-I22 HydrophobicContact CG2-CG1 4.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 3.03Å
19G97.5Very high96.8Very high23 Ų2390.3 Ų90.324%0.23749%0.493CS..Hα-helixtrans-56.3-49.1177.600000112Y15 L16 A21 I22 F23Y15-G19 PolarHBondContact O-N 3.25Å; L16-G19 PolarHBondContact O-N 3.18Å; G19-A21 PolarHBondContact O-N 3.25Å; G19-I22 PolarHBondContact O-N 3.18Å; G19-F23 WeakPolarHBondContact O-CD2 3.23Å; G19-F23 PolarHBondContact O-N 3.12Å
20A97.8Very high97Very high60 Ų6091.5 Ų91.550%0.49650%0.496SS..Hα-helixtrans-59.8-45.3177.500000112.3L16 I18 I22 F23 Q24L16-A20 WeakPolarHBondContact O-CB 3.28Å; L16-A20 PolarHBondContact O-N 3.16Å; I18-A20 PolarHBondContact O-N 2.84Å; A20-I22 VanDerWaalsContact C-N 3.35Å; A20-I22 PolarHBondContact O-N 3.49Å; A20-F23 PolarHBondContact O-N 2.85Å; A20-Q24 VanDerWaalsContact O-CB 3.26Å; A20-Q24 WeakPolarHBondContact O-CB 3.4Å; A20-Q24 PolarHBondContact O-N 3.4Å
21A97.9Very high97.1Very high53 Ų5396.4 Ų96.444%0.43851%0.505SS..Hα-helixtrans-62.3-41.4178.200000112.3S17 I18 G19 V25S17-A21 WeakPolarHBondContact O-CB 3.46Å; S17-A21 PolarHBondContact O-N 3.46Å; I18-A21 PolarHBondContact O-N 2.91Å; G19-A21 PolarHBondContact O-N 3.25Å; A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 3.47Å; A21-V25 VanDerWaalsContact O-N 3.14Å
22I98.1Very high97.2Very high91 Ų9198.5 Ų98.547%0.46751%0.505SS..Hα-helixtrans-68.2-48.6178.3-66.8172000110.7I18 G19 A20 Q24 V25 L26I18-I22 HydrophobicContact CG2-CD1 3.62Å; I18-I22 HydrophobicContact CG2-CG1 4.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 3.03Å; G19-I22 PolarHBondContact O-N 3.18Å; A20-I22 VanDerWaalsContact C-N 3.35Å; A20-I22 PolarHBondContact O-N 3.49Å; I22-Q24 VanDerWaalsContact C-N 3.31Å; I22-Q24 PolarHBondContact O-N 2.96Å; I22-V25 PolarHBondContact O-N 3.49Å; I22-L26 HydrophobicContact CG2-CD1 3.64Å; I22-L26 HydrophobicContact CG2-CG 4.26Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 2.87Å
23F97.6Very high97.3Very high139 Ų13997.9 Ų97.961%0.6150%0.502SS*.Hα-helixtrans-60.6-41.1178.1-78.4-57.8000112G19 A20 V25 L26 E27G19-F23 WeakPolarHBondContact O-CD2 3.23Å; G19-F23 PolarHBondContact O-N 3.12Å; A20-F23 PolarHBondContact O-N 2.85Å; F23-V25 PolarHBondContact O-N 3.34Å; F23-L26 PolarHBondContact O-N 3.47Å; F23-E27 WeakPolarHBondContact O-CB 3.39Å; F23-E27 PolarHBondContact O-N 3.47Å
24Q97.6Very high97.3Very high114 Ų11495.1 Ų95.153%0.53350%0.495SS..Hα-helixtrans-59.5-48.5176.3-176.6179-2.700111.4A20 I22 L26 E28A20-Q24 VanDerWaalsContact O-CB 3.26Å; A20-Q24 WeakPolarHBondContact O-CB 3.4Å; A20-Q24 PolarHBondContact O-N 3.4Å; I22-Q24 VanDerWaalsContact C-N 3.31Å; I22-Q24 PolarHBondContact O-N 2.96Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.36Å; Q24-E28 HydrophobicContact CG-CB 4.28Å; Q24-E28 WeakPolarHBondContact CG-OE2 3.28Å; Q24-E28 PolarHBondContact NE2-OE2 3.49Å; Q24-E28 WeakPolarHBondContact O-CB 3.44Å; Q24-E28 PolarHBondContact O-N 3.24Å
25V98Very high97.3Very high109 Ų10990.4 Ų90.466%0.66148%0.477SS*.Hα-helixtrans-66-34.6-179.2170.30000112.4A21 I22 F23 P29A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 3.47Å; A21-V25 VanDerWaalsContact O-N 3.14Å; I22-V25 PolarHBondContact O-N 3.49Å; F23-V25 PolarHBondContact O-N 3.34Å; V25-P29 WeakPolarHBondContact O-CD 3.45Å; V25-P29 WeakPolarHBondContact O-CG 3.5Å
26L96.4Very high97.3Very high111 Ų11187.8 Ų87.858%0.58147%0.47SS*.Hα-helixtrans-79.1-42.9-179.1-67.1177.2000112.8I22 F23 Q24I22-L26 HydrophobicContact CG2-CD1 3.64Å; I22-L26 HydrophobicContact CG2-CG 4.26Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 2.87Å; F23-L26 PolarHBondContact O-N 3.47Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.36Å
27E96.8Very high97.3Very high106 Ų10688.3 Ų88.350%0.49547%0.469SS..Hα-helixtrans-98.5-31.3-169.9-62.4-58.6150.800113.9F23 N30 W31F23-E27 WeakPolarHBondContact O-CB 3.39Å; F23-E27 PolarHBondContact O-N 3.47Å; E27-N30 PolarHBondContact O-N 2.87Å; E27-W31 WeakPolarHBondContact O-CB 3.18Å; E27-W31 PolarHBondContact O-N 3.27Å
28E97.2Very high97.2Very high63 Ų6390.7 Ų90.729%0.29447%0.469SS..Hα-helixtrans-60.3-40.6-176.9-169.4-176.5165.100113.3Q24 W31 K32Q24-E28 HydrophobicContact CG-CB 4.28Å; Q24-E28 WeakPolarHBondContact CG-OE2 3.28Å; Q24-E28 PolarHBondContact NE2-OE2 3.49Å; Q24-E28 WeakPolarHBondContact O-CB 3.44Å; Q24-E28 PolarHBondContact O-N 3.24Å; E28-W31 PolarHBondContact O-N 2.94Å; E28-K32 HydrophobicContact CG-CD 4.33Å; E28-K32 WeakPolarHBondContact O-CB 3.35Å; E28-K32 WeakPolarHBondContact O-CG 3.06Å; E28-K32 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact OE1-CE 3.46Å; E28-K32 IonicContact OE1-NZ 2.63Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å
29P97.8Very high97.1Very high68 Ų6894.9 Ų94.944%0.44248%0.48SS..Hα-helixtrans-62.9-45.8175.9-21.433.8000112.2V25 W31 K32 D33V25-P29 WeakPolarHBondContact O-CD 3.45Å; V25-P29 WeakPolarHBondContact O-CG 3.5Å; P29-W31 PolarHBondContact O-N 3.32Å; P29-K32 PolarHBondContact O-N 3.32Å; P29-D33 PolarHBondContact O-N 3.43Å
30N96.9Very high97.1Very high106 Ų106101.2 Ų101.257%0.56750%0.501SS*.Hα-helixtrans-63.5-42.9179.4-174.650000111.2E27 D33 A34E27-N30 PolarHBondContact O-N 2.87Å; N30-D33 PolarHBondContact O-N 3.01Å; N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 3.47Å
31W97.1Very high97Very high167 Ų167104 Ų10463%0.63350%0.503SS*.Hα-helixtrans-61.9-44.7175.1178.181.1000112.4E27 E28 P29 D33 A34 V35E27-W31 WeakPolarHBondContact O-CB 3.18Å; E27-W31 PolarHBondContact O-N 3.27Å; E28-W31 PolarHBondContact O-N 2.94Å; P29-W31 PolarHBondContact O-N 3.32Å; W31-D33 VanDerWaalsContact C-N 3.29Å; W31-D33 PolarHBondContact O-N 3.37Å; W31-A34 PolarHBondContact O-N 2.96Å; W31-V35 HydrophobicContact CD2-CG2 4.15Å; W31-V35 HydrophobicContact CH2-CG2 4.37Å; W31-V35 HydrophobicContact CZ2-CG2 3.9Å; W31-V35 WeakPolarHBondContact O-CG2 3.5Å; W31-V35 PolarHBondContact O-N 3.17Å
32K97.4Very high96.8Very high94 Ų94103.6 Ų103.641%0.40949%0.492SS..Hα-helixtrans-59.8-40.5176.1-77.9175.5-178.1167.40111.8E28 P29 K36E28-K32 HydrophobicContact CG-CD 4.33Å; E28-K32 WeakPolarHBondContact O-CB 3.35Å; E28-K32 WeakPolarHBondContact O-CG 3.06Å; E28-K32 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact OE1-CE 3.46Å; E28-K32 IonicContact OE1-NZ 2.63Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å; P29-K32 PolarHBondContact O-N 3.32Å; K32-K36 WeakPolarHBondContact O-CG 3.14Å; K32-K36 PolarHBondContact O-N 2.92Å; K32-K36 VanDerWaalsContact O-N 3.1Å
33D97.3Very high96.6Very high75 Ų75104.9 Ų104.940%0.40150%0.496SS..Hα-helixtrans-72.2-38.1178.8-71.9-18000112P29 N30 W31 V35 K36 Q37P29-D33 PolarHBondContact O-N 3.43Å; N30-D33 PolarHBondContact O-N 3.01Å; W31-D33 VanDerWaalsContact C-N 3.29Å; W31-D33 PolarHBondContact O-N 3.37Å; D33-V35 PolarHBondContact O-N 3.15Å; D33-K36 PolarHBondContact O-N 3.25Å; D33-K36 IonicContact OD1-NZ 3.93Å; D33-K36 PolarHBondContact OD1-NZ 2.87Å; D33-Q37 WeakPolarHBondContact O-CG 3.33Å; D33-Q37 PolarHBondContact O-N 2.79Å
34A96.5Very high96.5Very high47 Ų47104 Ų10439%0.38849%0.492SS..Hα-helixtrans-60-42.9171.500000112N30 W31 K36 Q37 Y38N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 3.47Å; W31-A34 PolarHBondContact O-N 2.96Å; A34-K36 PolarHBondContact O-N 3.26Å; A34-Q37 PolarHBondContact O-N 2.87Å; A34-Y38 WeakPolarHBondContact O-CB 3.43Å; A34-Y38 PolarHBondContact O-N 3.38Å
35V96.5Very high96.4Very high36 Ų36102.1 Ų102.122%0.21848%0.484CS..Hα-helixtrans-62.7-42.1175.8171.20000111.5W31 D33 Y38 R39W31-V35 HydrophobicContact CD2-CG2 4.15Å; W31-V35 HydrophobicContact CH2-CG2 4.37Å; W31-V35 HydrophobicContact CZ2-CG2 3.9Å; W31-V35 WeakPolarHBondContact O-CG2 3.5Å; W31-V35 PolarHBondContact O-N 3.17Å; D33-V35 PolarHBondContact O-N 3.15Å; V35-Y38 PolarHBondContact O-N 3.12Å; V35-R39 WeakPolarHBondContact O-CG 3.29Å; V35-R39 PolarHBondContact O-N 3.34Å
36K97.1Very high96.3Very high129 Ų12999 Ų9956%0.56146%0.464SS*.Hα-helixtrans-63.5-44175.4-69.7171.1-158.9156.70111.4K32 D33 A34 R39 K40K32-K36 WeakPolarHBondContact O-CG 3.14Å; K32-K36 PolarHBondContact O-N 2.92Å; K32-K36 VanDerWaalsContact O-N 3.1Å; D33-K36 PolarHBondContact O-N 3.25Å; D33-K36 IonicContact OD1-NZ 3.93Å; D33-K36 PolarHBondContact OD1-NZ 2.87Å; A34-K36 PolarHBondContact O-N 3.26Å; K36-R39 PolarHBondContact O-N 3.38Å; K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 3.46Å
37Q97.3Very high96.2Very high122 Ų122100.9 Ų100.957%0.5747%0.47SS*.Hα-helixtrans-62.3-44.4177.6-72.9178.313.800111.4D33 A34 K40 Q41D33-Q37 WeakPolarHBondContact O-CG 3.33Å; D33-Q37 PolarHBondContact O-N 2.79Å; A34-Q37 PolarHBondContact O-N 2.87Å; Q37-K40 PolarHBondContact O-N 2.62Å; Q37-Q41 WeakPolarHBondContact O-CB 3.18Å; Q37-Q41 WeakPolarHBondContact O-CG 3.46Å; Q37-Q41 PolarHBondContact O-N 2.86Å
38Y95.4Very high96.2Very high119 Ų119100.4 Ų100.447%0.46747%0.47SS..Hα-helixtrans-59.1-47.5175.9176.6-109.9000111.9A34 V35 K40 Q41 K42A34-Y38 WeakPolarHBondContact O-CB 3.43Å; A34-Y38 PolarHBondContact O-N 3.38Å; V35-Y38 PolarHBondContact O-N 3.12Å; Y38-K40 PolarHBondContact O-N 3.17Å; Y38-Q41 PolarHBondContact O-N 3.25Å; Y38-K42 WeakPolarHBondContact O-CB 3.29Å; Y38-K42 PolarHBondContact O-N 2.76Å
39R95.6Very high96.1Very high160 Ų160103.9 Ų103.960%0.60448%0.482SS*.Hα-helixtrans-60.6-45.8175.8-72.2-179.6-170178.92.8112.1V35 K36 Q41 K42 E43V35-R39 WeakPolarHBondContact O-CG 3.29Å; V35-R39 PolarHBondContact O-N 3.34Å; K36-R39 PolarHBondContact O-N 3.38Å; R39-Q41 VanDerWaalsContact C-N 3.33Å; R39-Q41 PolarHBondContact O-N 3.06Å; R39-K42 WeakPolarHBondContact O-CB 3.38Å; R39-K42 PolarHBondContact O-N 3.42Å; R39-E43 WeakPolarHBondContact O-CG 3.45Å; R39-E43 PolarHBondContact O-N 3.49Å
40K96.6Very high95.9Very high156 Ų156106.3 Ų106.368%0.67850%0.498SS*.Hα-helixtrans-61.3-40.7177.9-174.6179.5-179.3179.60112.1K36 Q37 Y38 K44K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 3.46Å; Q37-K40 PolarHBondContact O-N 2.62Å; Y38-K40 PolarHBondContact O-N 3.17Å; K40-K44 WeakPolarHBondContact O-CB 3.47Å; K40-K44 PolarHBondContact O-N 3.27Å
41Q95.4Very high95.8Very high118 Ų118106.9 Ų106.955%0.55151%0.509SS*.Hα-helixtrans-67.8-40.6176-74.2175.4-5.800111.6Q37 Y38 R39 K44 I45Q37-Q41 WeakPolarHBondContact O-CB 3.18Å; Q37-Q41 WeakPolarHBondContact O-CG 3.46Å; Q37-Q41 PolarHBondContact O-N 2.86Å; Y38-Q41 PolarHBondContact O-N 3.25Å; R39-Q41 VanDerWaalsContact C-N 3.33Å; R39-Q41 PolarHBondContact O-N 3.06Å; Q41-K44 PolarHBondContact O-N 3.24Å; Q41-I45 VanDerWaalsContact O-CG1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.49Å; Q41-I45 PolarHBondContact O-N 3.5Å
42K94.3Very high95.7Very high46 Ų46100.9 Ų100.920%0.249%0.489CS..Hα-helixtrans-60.7-45.7175.2-169.8-178.7177176.60111.8Y38 R39 I45 L46 L57 D58 L61Y38-K42 WeakPolarHBondContact O-CB 3.29Å; Y38-K42 PolarHBondContact O-N 2.76Å; R39-K42 WeakPolarHBondContact O-CB 3.38Å; R39-K42 PolarHBondContact O-N 3.42Å; K42-I45 PolarHBondContact O-N 3.37Å; K42-L46 PolarHBondContact O-N 3.48Å; K42-L57 HydrophobicContact CD-CD2 4.44Å; K42-L57 HydrophobicContact CG-CD2 3.64Å; K42-D58 WeakPolarHBondContact CE-OD1 3.45Å; K42-D58 IonicContact NZ-OD1 2.83Å; K42-D58 PolarHBondContact NZ-OD1 3.28Å; K42-D58 IonicContact NZ-OD2 2.57Å; K42-L61 HydrophobicContact CD-CD1 4.43Å
43E94.3Very high95.5Very high117 Ų11798.8 Ų98.855%0.54749%0.486SS..Hα-helixtrans-62.4-44.6174.8-74.3168.8-174.400111.4R39 I45 L46 E47R39-E43 WeakPolarHBondContact O-CG 3.45Å; R39-E43 PolarHBondContact O-N 3.49Å; E43-I45 VanDerWaalsContact C-N 3.29Å; E43-I45 PolarHBondContact O-N 2.85Å; E43-L46 WeakPolarHBondContact O-CB 3.27Å; E43-L46 PolarHBondContact O-N 3.2Å; E43-E47 PolarHBondContact O-N 3.29Å
44K96Very high95.3Very high122 Ų122101.5 Ų101.553%0.5349%0.494SS..Hα-helixtrans-58.3-39.5176.4-171.7-178.5177.5-173.90112.6K40 Q41 L46 E47 D48K40-K44 WeakPolarHBondContact O-CB 3.47Å; K40-K44 PolarHBondContact O-N 3.27Å; Q41-K44 PolarHBondContact O-N 3.24Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.29Å; K44-E47 PolarHBondContact O-N 3.49Å; K44-D48 WeakPolarHBondContact O-CB 3.49Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.46Å
45I95.6Very high95.2Very high73 Ų73105.1 Ų105.137%0.37451%0.507SS..Hα-helixtrans-63.5-40175.9-69.1164.9000110.8Q41 K42 E43 E47 D48 Y49 L52Q41-I45 VanDerWaalsContact O-CG1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.49Å; Q41-I45 PolarHBondContact O-N 3.5Å; K42-I45 PolarHBondContact O-N 3.37Å; E43-I45 VanDerWaalsContact C-N 3.29Å; E43-I45 PolarHBondContact O-N 2.85Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-D48 PolarHBondContact O-N 3.25Å; I45-Y49 HydrophobicContact CG2-CD2 4.14Å; I45-Y49 WeakPolarHBondContact O-CD2 3.44Å; I45-Y49 PolarHBondContact O-N 3.36Å; I45-L52 HydrophobicContact CG2-CD2 4.14Å
46L94.9Very high95.1Very high45 Ų45107.2 Ų107.224%0.23652%0.517CS..Hα-helixtrans-67.6-34.2176.1-67.3170.3000112.3K42 E43 K44 Y49 L52 K54 L57K42-L46 PolarHBondContact O-N 3.48Å; E43-L46 WeakPolarHBondContact O-CB 3.27Å; E43-L46 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.29Å; L46-Y49 CarbonylContact O-C 3.54Å; L46-L52 HydrophobicContact CD2-CD2 4.44Å; L46-L52 HydrophobicContact CD2-CG 4.38Å; L46-K54 HydrophobicContact CD1-CB 4.46Å; L46-K54 HydrophobicContact CD1-CG 4.45Å; L46-L57 HydrophobicContact CD1-CD2 4.22Å; L46-L57 HydrophobicContact CD2-CB 4.16Å; L46-L57 HydrophobicContact CD2-CD2 3.73Å; L46-L57 HydrophobicContact CG-CD2 3.76Å
47E95.1Very high95Very high149 Ų149101.7 Ų101.770%0.69649%0.494SS*.Hα-helixtrans-69.7-43.3173.9-69.9179.1174.900112.3E43 K44 I45 Y49E43-E47 PolarHBondContact O-N 3.29Å; K44-E47 PolarHBondContact O-N 3.49Å; I45-E47 VanDerWaalsContact C-N 3.33Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.3Å
48D96.6Very high94.8Very high96 Ų9698.6 Ų98.651%0.51348%0.481SS..Hα-helixtrans-68.4-27.6-179.4-72.5-19.4000111.9K44 I45K44-D48 WeakPolarHBondContact O-CB 3.49Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.46Å; I45-D48 PolarHBondContact O-N 3.25Å
49Y95.3Very high94.8Very high136 Ų13699.4 Ų99.453%0.53349%0.487SS..  trans-125.183.4-179.4-59.5-77000112.3I45 L46 E47 C51 L52I45-Y49 HydrophobicContact CG2-CD2 4.14Å; I45-Y49 WeakPolarHBondContact O-CD2 3.44Å; I45-Y49 PolarHBondContact O-N 3.36Å; L46-Y49 CarbonylContact O-C 3.54Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.3Å; Y49-C51 PolarHBondContact O-N 3.23Å; Y49-L52 WeakPolarHBondContact O-CB 3.42Å; Y49-L52 PolarHBondContact O-N 3.06Å
50P92.5Very high94.8Very high120 Ų12096 Ų9678%0.77948%0.48SS*.THydrogen-bonded Turntrans-63-18-178.3-2232.2000114.8L52P50-L52 VanDerWaalsContact C-N 3.3Å
51C94.5Very high94.6Very high118 Ų11891.2 Ų91.280%0.79746%0.461SS*.THydrogen-bonded Turntrans-79.1-11.5175.357.80000113.6Y49Y49-C51 PolarHBondContact O-N 3.23Å
52L95.3Very high94.5Very high40 Ų4091.3 Ų91.321%0.20946%0.462CS..  trans-95.3114.4-179.7-175.367.5000109.5I45 L46 Y49 P50 D56 L57 I60I45-L52 HydrophobicContact CG2-CD2 4.14Å; L46-L52 HydrophobicContact CD2-CD2 4.44Å; L46-L52 HydrophobicContact CD2-CG 4.38Å; Y49-L52 WeakPolarHBondContact O-CB 3.42Å; Y49-L52 PolarHBondContact O-N 3.06Å; P50-L52 VanDerWaalsContact C-N 3.3Å; L52-D56 HydrophobicContact CD1-CB 3.75Å; L52-L57 HydrophobicContact CD2-CB 4.04Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 HydrophobicContact CD2-CG 4.45Å; L52-L57 HydrophobicContact CG-CB 4.24Å; L52-I60 HydrophobicContact CD1-CD1 3.94Å
53S94.1Very high94.5Very high50 Ų5093.5 Ų93.535%0.3548%0.479SS..  trans-74.9161.3173.179.30000111.1D55 D56 L57S53-D55 VanDerWaalsContact C-N 3.29Å; S53-D55 PolarHBondContact O-N 3.43Å; S53-D56 WeakPolarHBondContact CB-OD2 3.39Å; S53-D56 PolarHBondContact O-N 2.92Å; S53-D56 WeakPolarHBondContact OG-CB 3.47Å; S53-D56 PolarHBondContact OG-N 3.2Å; S53-D56 VanDerWaalsContact OG-N 3.11Å; S53-D56 PolarHBondContact OG-OD2 3.47Å; S53-L57 PolarHBondContact O-N 3.3Å
54K92.7Very high94.4Very high132 Ų13290.6 Ų90.657%0.57447%0.469SS*.Hα-helixtrans-60.4-40.9175.5-174-176.8172.9-169.60111.7L46 L57 D58L46-K54 HydrophobicContact CD1-CB 4.46Å; L46-K54 HydrophobicContact CD1-CG 4.45Å; K54-L57 PolarHBondContact O-N 2.84Å; K54-D58 PolarHBondContact O-N 3.07Å
55D94.1Very high94.2Very high124 Ų12488.4 Ų88.466%0.66347%0.469SS*.Hα-helixtrans-68.3-37.9-179.3-59.5-23.1000111.1S53 D58 K59S53-D55 VanDerWaalsContact C-N 3.29Å; S53-D55 PolarHBondContact O-N 3.43Å; D55-D58 PolarHBondContact O-N 3.12Å; D55-K59 WeakPolarHBondContact O-CB 3.46Å; D55-K59 PolarHBondContact O-N 2.75Å
56D94.4Very high93.9Very high80 Ų8089.7 Ų89.743%0.42848%0.477SS..Hα-helixtrans-64.8-40.9174.4-65.2-44.1000111.6L52 S53 K59 I60L52-D56 HydrophobicContact CD1-CB 3.75Å; S53-D56 WeakPolarHBondContact CB-OD2 3.39Å; S53-D56 PolarHBondContact O-N 2.92Å; S53-D56 WeakPolarHBondContact OG-CB 3.47Å; S53-D56 PolarHBondContact OG-N 3.2Å; S53-D56 VanDerWaalsContact OG-N 3.11Å; S53-D56 PolarHBondContact OG-OD2 3.47Å; D56-K59 PolarHBondContact O-N 3.17Å; D56-I60 VanDerWaalsContact O-CG1 3.29Å; D56-I60 WeakPolarHBondContact O-CG1 3.43Å; D56-I60 PolarHBondContact O-N 2.89Å
57L94.4Very high93.6Very high12 Ų1289.6 Ų89.66%0.06348%0.482CS..Hα-helixtrans-64.4-41.1175.2179.358.2000111.6K42 L46 L52 S53 K54 K59 I60 L61K42-L57 HydrophobicContact CD-CD2 4.44Å; K42-L57 HydrophobicContact CG-CD2 3.64Å; L46-L57 HydrophobicContact CD1-CD2 4.22Å; L46-L57 HydrophobicContact CD2-CB 4.16Å; L46-L57 HydrophobicContact CD2-CD2 3.73Å; L46-L57 HydrophobicContact CG-CD2 3.76Å; L52-L57 HydrophobicContact CD2-CB 4.04Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 HydrophobicContact CD2-CG 4.45Å; L52-L57 HydrophobicContact CG-CB 4.24Å; S53-L57 PolarHBondContact O-N 3.3Å; K54-L57 PolarHBondContact O-N 2.84Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-I60 PolarHBondContact O-N 2.83Å; L57-L61 HydrophobicContact CD1-CD1 4.44Å; L57-L61 HydrophobicContact CD1-CG 4.35Å; L57-L61 HydrophobicContact CG-CD1 4.23Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.3Å
58D94.1Very high93.2Very high58 Ų5884 Ų8431%0.3146%0.462SS..Hα-helixtrans-63-41.1176.1-76.5-27.3000111.5K42 K54 D55 I60 L61 E62K42-D58 WeakPolarHBondContact CE-OD1 3.45Å; K42-D58 IonicContact NZ-OD1 2.83Å; K42-D58 PolarHBondContact NZ-OD1 3.28Å; K42-D58 IonicContact NZ-OD2 2.57Å; K54-D58 PolarHBondContact O-N 3.07Å; D55-D58 PolarHBondContact O-N 3.12Å; D58-I60 PolarHBondContact O-N 3.14Å; D58-L61 PolarHBondContact O-N 2.9Å; D58-E62 WeakPolarHBondContact O-CB 3.34Å; D58-E62 PolarHBondContact O-N 2.9Å
59K95.6Very high92.6Very high135 Ų13581.3 Ų81.359%0.58746%0.456SS*.Hα-helixtrans-63.1-40173.4-172.6175-176.7174.80112.9D55 D56 L57 L61 E62 V63D55-K59 WeakPolarHBondContact O-CB 3.46Å; D55-K59 PolarHBondContact O-N 2.75Å; D56-K59 PolarHBondContact O-N 3.17Å; L57-K59 VanDerWaalsContact C-N 3.33Å; K59-L61 VanDerWaalsContact C-N 3.35Å; K59-E62 PolarHBondContact O-N 2.57Å; K59-V63 WeakPolarHBondContact O-CG2 3.32Å; K59-V63 PolarHBondContact O-N 3.45Å
60I94.4Very high92Very high88 Ų8880.9 Ų80.945%0.45146%0.459SS..Hα-helixtrans-62.6-45174.5-69.3165.2000110.2L52 D56 L57 D58 E62 V63 V64L52-I60 HydrophobicContact CD1-CD1 3.94Å; D56-I60 VanDerWaalsContact O-CG1 3.29Å; D56-I60 WeakPolarHBondContact O-CG1 3.43Å; D56-I60 PolarHBondContact O-N 2.89Å; L57-I60 PolarHBondContact O-N 2.83Å; D58-I60 PolarHBondContact O-N 3.14Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 3.24Å; I60-V63 PolarHBondContact O-N 3.34Å; I60-V64 HydrophobicContact CG2-CG2 4.4Å; I60-V64 WeakPolarHBondContact O-CB 3.43Å; I60-V64 VanDerWaalsContact O-CG2 3.28Å; I60-V64 WeakPolarHBondContact O-CG2 3.32Å; I60-V64 PolarHBondContact O-N 2.97Å
61L93.1Very high91.4Very high56 Ų5676.7 Ų76.729%0.29344%0.438SS..Hα-helixtrans-64.5-36.8178.9-70.2171.2000112.1K42 L57 D58 K59 V64 S65K42-L61 HydrophobicContact CD-CD1 4.43Å; L57-L61 HydrophobicContact CD1-CD1 4.44Å; L57-L61 HydrophobicContact CD1-CG 4.35Å; L57-L61 HydrophobicContact CG-CD1 4.23Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.3Å; D58-L61 PolarHBondContact O-N 2.9Å; K59-L61 VanDerWaalsContact C-N 3.35Å; L61-V64 PolarHBondContact O-N 3.3Å; L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.37Å; L61-S65 PolarHBondContact O-N 3.05Å
62E94.2Very high90.9Very high121 Ų12174.7 Ų74.757%0.56542%0.422SS*.Hα-helixtrans-61.7-50.8173.7-173.6177.3-164.100111.2D58 K59 I60 V64 S65 D66D58-E62 WeakPolarHBondContact O-CB 3.34Å; D58-E62 PolarHBondContact O-N 2.9Å; K59-E62 PolarHBondContact O-N 2.57Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 3.24Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.49Å; E62-S65 WeakPolarHBondContact O-CB 3.16Å; E62-S65 PolarHBondContact O-N 3.32Å; E62-S65 VanDerWaalsContact O-N 3.12Å; E62-D66 PolarHBondContact O-N 3.27Å
63V93.5Very high90Very high92 Ų9274.9 Ų74.956%0.55842%0.424SS*.Hα-helixtrans-59.9-41.7177.4172.40000111.8K59 I60 D66 A67K59-V63 WeakPolarHBondContact O-CG2 3.32Å; K59-V63 PolarHBondContact O-N 3.45Å; I60-V63 PolarHBondContact O-N 3.34Å; V63-D66 PolarHBondContact O-N 2.95Å; V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 2.94Å
64V92Very high89.2Confident55 Ų5577.9 Ų77.933%0.33344%0.436SS..Hα-helixtrans-65.2-42.5176.6170.30000111I60 L61 E62 A67 A68 I74I60-V64 HydrophobicContact CG2-CG2 4.4Å; I60-V64 WeakPolarHBondContact O-CB 3.43Å; I60-V64 VanDerWaalsContact O-CG2 3.28Å; I60-V64 WeakPolarHBondContact O-CG2 3.32Å; I60-V64 PolarHBondContact O-N 2.97Å; L61-V64 PolarHBondContact O-N 3.3Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.49Å; V64-A67 PolarHBondContact O-N 3.46Å; V64-A68 VanDerWaalsContact O-CB 3.28Å; V64-A68 WeakPolarHBondContact O-CB 3.13Å; V64-A68 PolarHBondContact O-N 3.24Å; V64-I74 HydrophobicContact CG1-CD1 4.1Å; V64-I74 HydrophobicContact CG1-CG1 4.17Å; V64-I74 HydrophobicContact CG1-CG2 3.65Å
65S91Very high88.1Confident77 Ų7776.4 Ų76.454%0.53844%0.438SS..Hα-helixtrans-62.2-43.7177.2-179.80000111.6L61 E62 A68 G69L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.37Å; L61-S65 PolarHBondContact O-N 3.05Å; E62-S65 WeakPolarHBondContact O-CB 3.16Å; E62-S65 PolarHBondContact O-N 3.32Å; E62-S65 VanDerWaalsContact O-N 3.12Å; S65-A68 PolarHBondContact O-N 3Å; S65-G69 PolarHBondContact O-N 3.31Å
66D90.6Very high86.7Confident100 Ų10072.9 Ų72.954%0.53543%0.431SS..Hα-helixtrans-64.9-45.2178-76.8-11.5000111.9E62 V63 A68 G69 Q70E62-D66 PolarHBondContact O-N 3.27Å; V63-D66 PolarHBondContact O-N 2.95Å; D66-A68 PolarHBondContact O-N 3.35Å; D66-G69 PolarHBondContact O-N 2.96Å; D66-Q70 PolarHBondContact O-N 2.96Å; D66-Q70 VanDerWaalsContact O-N 3.16Å
67A88.4Confident85.1Confident42 Ų4275.2 Ų75.235%0.34745%0.453SS..Hα-helixtrans-62.5-42.7176.200000111.9V63 V64 G69 Q70 V72V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 2.94Å; V64-A67 PolarHBondContact O-N 3.46Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.1Å; A67-Q70 PolarHBondContact O-N 3.36Å; A67-V72 WeakPolarHBondContact O-CB 3.16Å; A67-V72 PolarHBondContact O-N 3.15Å
68A86.1Confident83.5Confident33 Ų3382.2 Ų82.227%0.27348%0.483SS..Hα-helixtrans-61.9-39.8173.800000111.7V64 S65 D66 Q70 G71 I74V64-A68 VanDerWaalsContact O-CB 3.28Å; V64-A68 WeakPolarHBondContact O-CB 3.13Å; V64-A68 PolarHBondContact O-N 3.24Å; S65-A68 PolarHBondContact O-N 3Å; D66-A68 PolarHBondContact O-N 3.35Å; A68-Q70 PolarHBondContact O-N 2.96Å; A68-G71 WeakPolarHBondContact O-CA 3.13Å; A68-G71 PolarHBondContact O-N 3.38Å; A68-I74 HydrophobicContact CB-CD1 3.57Å; A68-I74 HydrophobicContact CB-CG1 3.65Å
69G83.4Confident82.1Confident38 Ų3884.8 Ų84.839%0.39250%0.501SS..Hα-helixtrans-59.9-28.3175.200000113.6S65 D66 A67 G71 K107S65-G69 PolarHBondContact O-N 3.31Å; D66-G69 PolarHBondContact O-N 2.96Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.1Å; G69-G71 VanDerWaalsContact C-N 3.29Å; G69-K107 WeakPolarHBondContact O-CE 3.33Å; G69-K107 PolarHBondContact O-NZ 3.49Å
70Q84.6Confident80.8Confident127 Ų12780.7 Ų80.759%0.59348%0.483SS*.THydrogen-bonded Turntrans-79.6-6.9172.5-61.1-55.3-3600113.8D66 A67 A68D66-Q70 PolarHBondContact O-N 2.96Å; D66-Q70 VanDerWaalsContact O-N 3.16Å; A67-Q70 PolarHBondContact O-N 3.36Å; A68-Q70 PolarHBondContact O-N 2.96Å
71G79.3Confident79.9Confident32 Ų3281.1 Ų81.133%0.3349%0.487SS..THydrogen-bonded Turntrans88.919.3-178.800000114A68 G69 N82A68-G71 WeakPolarHBondContact O-CA 3.13Å; A68-G71 PolarHBondContact O-N 3.38Å; G69-G71 VanDerWaalsContact C-N 3.29Å; G71-N82 PolarHBondContact O-ND2 3.25Å; G71-N82 VanDerWaalsContact O-ND2 3.12Å
72V82.8Confident79.1Confident77 Ų7779.8 Ų79.847%0.46748%0.48SS..  trans-79.6134.4171.3-175.40000109.1A67 I74A67-V72 WeakPolarHBondContact O-CB 3.16Å; A67-V72 PolarHBondContact O-N 3.15Å; V72-I74 PolarHBondContact O-N 3.49Å
73T77.3Confident78.8Confident43 Ų4380.1 Ų80.126%0.26448%0.476SS..  trans-67.1116.8174.850.40000109.8T75 F80 P215T73-T75 PolarHBondContact O-N 3.02Å; T73-F80 HydrophobicContact CG2-CB 4.39Å; T73-P215 HydrophobicContact CG2-CG 4.19Å
74I77.6Confident78.5Confident114 Ų11478.3 Ų78.359%0.58546%0.463SS*.SBendtrans-63.1-34-179.6-58172.6000111.3V64 A68 V72V64-I74 HydrophobicContact CG1-CD1 4.1Å; V64-I74 HydrophobicContact CG1-CG1 4.17Å; V64-I74 HydrophobicContact CG1-CG2 3.65Å; A68-I74 HydrophobicContact CB-CD1 3.57Å; A68-I74 HydrophobicContact CB-CG1 3.65Å; V72-I74 PolarHBondContact O-N 3.49Å
75T70.1Confident78.3Confident101 Ų10185.4 Ų85.462%0.6248%0.484SS*.SBendtrans-115.2145.3-174.556.40000111.2T73T73-T75 PolarHBondContact O-N 3.02Å
76G64.1Low78Confident50 Ų5084.1 Ų84.152%0.51547%0.474SS..  trans108.6146.6176.800000113.8K78G76-K78 VanDerWaalsContact C-N 3.29Å
77S60.3Low77.8Confident128 Ų12879.4 Ų79.490%0.89545%0.449SS*.SBendtrans-79.3-12177.256.60000113.4
78K61.8Low78Confident159 Ų15978.9 Ų78.969%0.69144%0.444SS*.SBendtrans-116.3116.1178.9-66.1-178.5-178.8175.90109G76 F80G76-K78 VanDerWaalsContact C-N 3.29Å; K78-F80 PolarHBondContact O-N 3.41Å
79T63.8Low78.2Confident112 Ų11280.5 Ų80.569%0.68745%0.45SS*.  trans-67.9117.5169.954.30000109N81T79-N81 PolarHBondContact O-N 2.87Å
80F68.8Low78.4Confident50 Ų5080.2 Ų80.222%0.21944%0.439CS..  trans-72.3116.4172.3-177.6-96.9000109T73 K78 N82 N87 P215T73-F80 HydrophobicContact CG2-CB 4.39Å; K78-F80 PolarHBondContact O-N 3.41Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.49Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N82 PolarHBondContact O-N 2.83Å; F80-N87 VanDerWaalsContact CE1-ND2 3.34Å; F80-N87 WeakPolarHBondContact CE1-ND2 3.07Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.36Å; F80-P215 HydrophobicContact CB-CB 4.09Å; F80-P215 HydrophobicContact CB-CG 3.81Å; F80-P215 HydrophobicContact CG-CG 4.43Å
81N75.6Confident78.8Confident97 Ų9776 Ų7652%0.51942%0.419SS..  trans-73.392.2179.8-178.22.7000110.6T79 W83 N84 N87T79-N81 PolarHBondContact O-N 2.87Å; N81-W83 PolarHBondContact O-N 3.34Å; N81-W83 VanDerWaalsContact O-N 3.15Å; N81-W83 PolarHBondContact OD1-N 3.49Å; N81-N84 PolarHBondContact O-N 3.19Å; N81-N84 PolarHBondContact O-ND2 3.14Å; N81-N84 PolarHBondContact OD1-N 3.43Å; N81-N87 PolarHBondContact O-ND2 3.03Å
82N75.8Confident79.5Confident28 Ų2875.7 Ų75.715%0.1541%0.413CS..THydrogen-bonded Turntrans-59.2-20.3178.1-77.3-38.1000114.4G71 F80 N87 I104G71-N82 PolarHBondContact O-ND2 3.25Å; G71-N82 VanDerWaalsContact O-ND2 3.12Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.49Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N82 PolarHBondContact O-N 2.83Å; N82-N87 WeakPolarHBondContact O-CB 3.41Å; N82-I104 HydrophobicContact CB-CD1 3.93Å; N82-I104 HydrophobicContact CB-CG1 4.15Å; N82-I104 HydrophobicContact CB-CG2 4.37Å; N82-I104 WeakPolarHBondContact OD1-CD1 3.31Å
83W87.2Confident79.9Confident128 Ų12872.2 Ų72.249%0.48539%0.393SS..THydrogen-bonded Turntrans-114.725.1-174.7-66.8108.6000113.9N81 F91 I104N81-W83 PolarHBondContact O-N 3.34Å; N81-W83 VanDerWaalsContact O-N 3.15Å; N81-W83 PolarHBondContact OD1-N 3.49Å; W83-F91 AromaticContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD2 4.32Å; W83-F91 AromaticContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE2 4.31Å; W83-F91 HydrophobicContact CH2-CG 4.15Å; W83-F91 HydrophobicContact CH2-CZ 4.14Å; W83-F91 AromaticContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CE1 4.11Å; W83-F91 HydrophobicContact CZ3-CG 4.09Å; W83-I104 HydrophobicContact CD2-CG2 4.45Å; W83-I104 HydrophobicContact CH2-CG2 3.9Å; W83-I104 HydrophobicContact CZ2-CG2 3.49Å; W83-I104 VanDerWaalsContact CZ2-CG2 3.49Å
84N88Confident80.7Confident54 Ų5470.7 Ų70.729%0.28938%0.384SS..SBendtrans-68.2162.7164.970.530.4000111.2N81 P86 N87 A88N81-N84 PolarHBondContact O-N 3.19Å; N81-N84 PolarHBondContact O-ND2 3.14Å; N81-N84 PolarHBondContact OD1-N 3.43Å; N84-P86 WeakPolarHBondContact OD1-CD 3.32Å; N84-N87 PolarHBondContact ND2-ND2 3.37Å; N84-N87 PolarHBondContact O-N 3.35Å; N84-N87 WeakPolarHBondContact OD1-CB 3.34Å; N84-N87 PolarHBondContact OD1-N 3.3Å; N84-N87 PolarHBondContact OD1-ND2 2.99Å; N84-N87 VanDerWaalsContact OD1-ND2 3.17Å; N84-A88 WeakPolarHBondContact O-CB 3.38Å; N84-A88 PolarHBondContact O-N 2.7Å
85W88.3Confident81.6Confident204 Ų20466.6 Ų66.677%0.77336%0.364SS*.Hα-helixtrans-54.9-49.4-176175.4-100.4000114.1N87 A88 V89W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.48Å; W85-A88 PolarHBondContact O-N 3.29Å; W85-V89 HydrophobicContact CD2-CG2 4.36Å; W85-V89 HydrophobicContact CZ2-CG2 4.18Å; W85-V89 WeakPolarHBondContact O-CG2 3.44Å; W85-V89 PolarHBondContact O-N 3.36Å
86P85.1Confident82.8Confident49 Ų4963.3 Ų63.332%0.31834%0.342SS..Hα-helixtrans-58.7-41.5176.2-25.634.6000114N84 V89 I90N84-P86 WeakPolarHBondContact OD1-CD 3.32Å; P86-V89 PolarHBondContact O-N 3.11Å; P86-I90 WeakPolarHBondContact O-CG1 3.34Å; P86-I90 PolarHBondContact O-N 3.4Å; P86-I90 VanDerWaalsContact O-N 3.14Å
87N86.2Confident84.2Confident2 Ų261.1 Ų61.11%0.01132%0.319CS..Hα-helixtrans-67.3-39.5178-71.1-20.7000111.9F80 N81 N82 N84 W85 V89 I90 F91 R224F80-N87 VanDerWaalsContact CE1-ND2 3.34Å; F80-N87 WeakPolarHBondContact CE1-ND2 3.07Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.36Å; N81-N87 PolarHBondContact O-ND2 3.03Å; N82-N87 WeakPolarHBondContact O-CB 3.41Å; N84-N87 PolarHBondContact ND2-ND2 3.37Å; N84-N87 PolarHBondContact O-N 3.35Å; N84-N87 WeakPolarHBondContact OD1-CB 3.34Å; N84-N87 PolarHBondContact OD1-N 3.3Å; N84-N87 PolarHBondContact OD1-ND2 2.99Å; N84-N87 VanDerWaalsContact OD1-ND2 3.17Å; W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.48Å; N87-V89 VanDerWaalsContact C-N 3.31Å; N87-V89 PolarHBondContact O-N 3.45Å; N87-I90 PolarHBondContact O-N 2.9Å; N87-F91 WeakPolarHBondContact O-CB 3.25Å; N87-F91 PolarHBondContact O-N 3.48Å; N87-R224 PolarHBondContact OD1-NH1 2.65Å; N87-R224 PolarHBondContact OD1-NH2 2.92Å
88A91.4Very high85.8Confident30 Ų3058.1 Ų58.125%0.24830%0.295CS..Hα-helixtrans-63.9-36.917600000111.8N84 W85 F91 A92N84-A88 WeakPolarHBondContact O-CB 3.38Å; N84-A88 PolarHBondContact O-N 2.7Å; W85-A88 PolarHBondContact O-N 3.29Å; A88-F91 PolarHBondContact O-N 3.21Å; A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.94Å
89V90.3Very high87.4Confident67 Ų6750.8 Ų50.841%0.40626%0.264SS..Hα-helixtrans-64.9-44.9174.21720000111.3W85 P86 N87 A92 A93W85-V89 HydrophobicContact CD2-CG2 4.36Å; W85-V89 HydrophobicContact CZ2-CG2 4.18Å; W85-V89 WeakPolarHBondContact O-CG2 3.44Å; W85-V89 PolarHBondContact O-N 3.36Å; P86-V89 PolarHBondContact O-N 3.11Å; N87-V89 VanDerWaalsContact C-N 3.31Å; N87-V89 PolarHBondContact O-N 3.45Å; V89-A92 PolarHBondContact O-N 3.46Å; V89-A93 WeakPolarHBondContact O-CB 3.3Å; V89-A93 PolarHBondContact O-N 3Å
90I88.6Confident88.8Confident32 Ų3247.6 Ų47.616%0.16425%0.253CS..Hα-helixtrans-65.8-40.7176.9-62.9163.9000110.5P86 N87 A93 T94 R224P86-I90 WeakPolarHBondContact O-CG1 3.34Å; P86-I90 PolarHBondContact O-N 3.4Å; P86-I90 VanDerWaalsContact O-N 3.14Å; N87-I90 PolarHBondContact O-N 2.9Å; I90-A93 WeakPolarHBondContact O-CB 3.44Å; I90-A93 PolarHBondContact O-N 3.45Å; I90-T94 HydrophobicContact CG2-CG2 4.41Å; I90-T94 VanDerWaalsContact O-CG2 3.25Å; I90-T94 WeakPolarHBondContact O-CG2 3.1Å; I90-T94 PolarHBondContact O-N 3.17Å; I90-T94 PolarHBondContact O-OG1 3.31Å; I90-R224 HydrophobicContact CD1-CB 4.08Å
91F91.9Very high89.9Confident39 Ų3945.9 Ų45.917%0.17125%0.245CC..Hα-helixtrans-58.2-50.6172.4170.4-99.1000110.8W83 N87 A88 A93 T94 V95 I104W83-F91 AromaticContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD2 4.32Å; W83-F91 AromaticContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE2 4.31Å; W83-F91 HydrophobicContact CH2-CG 4.15Å; W83-F91 HydrophobicContact CH2-CZ 4.14Å; W83-F91 AromaticContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CE1 4.11Å; W83-F91 HydrophobicContact CZ3-CG 4.09Å; N87-F91 WeakPolarHBondContact O-CB 3.25Å; N87-F91 PolarHBondContact O-N 3.48Å; A88-F91 PolarHBondContact O-N 3.21Å; F91-A93 VanDerWaalsContact C-N 3.26Å; F91-A93 PolarHBondContact O-N 3.42Å; F91-T94 PolarHBondContact O-N 2.86Å; F91-T94 VanDerWaalsContact O-N 3.12Å; F91-T94 PolarHBondContact O-OG1 3.3Å; F91-V95 HydrophobicContact CE1-CG2 4.01Å; F91-V95 HydrophobicContact CE2-CG2 4.01Å; F91-V95 HydrophobicContact CZ-CG2 3.71Å; F91-V95 WeakPolarHBondContact O-CG2 3.39Å; F91-V95 PolarHBondContact O-N 2.93Å; F91-V95 VanDerWaalsContact O-N 3.07Å; F91-I104 HydrophobicContact CD2-CG2 4.41Å; F91-I104 WeakPolarHBondContact CE2-O 3.16Å
92A94.3Very high90.4Very high25 Ų2544 Ų4421%0.20725%0.248CC..Hα-helixtrans-59-38.2178.500000112.3A88 V89 I96 Y118A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.94Å; V89-A92 PolarHBondContact O-N 3.46Å; A92-I96 PolarHBondContact O-N 2.78Å; A92-Y118 HydrophobicContact CB-CE1 4.07Å; A92-Y118 WeakPolarHBondContact O-CE1 3.44Å; A92-Y118 PolarHBondContact O-OH 2.82Å
93A92.5Very high90.9Very high5 Ų545.8 Ų45.84%0.04126%0.258CS..Hα-helixtrans-64.5-45.1173.900000113.2V89 I90 F91 V95 I96 T97 E228 Y232V89-A93 WeakPolarHBondContact O-CB 3.3Å; V89-A93 PolarHBondContact O-N 3Å; I90-A93 WeakPolarHBondContact O-CB 3.44Å; I90-A93 PolarHBondContact O-N 3.45Å; F91-A93 VanDerWaalsContact C-N 3.26Å; F91-A93 PolarHBondContact O-N 3.42Å; A93-V95 VanDerWaalsContact C-N 3.27Å; A93-V95 PolarHBondContact O-N 2.69Å; A93-I96 WeakPolarHBondContact O-CG1 3.29Å; A93-I96 PolarHBondContact O-N 2.6Å; A93-T97 WeakPolarHBondContact O-CB 3.41Å; A93-T97 VanDerWaalsContact O-CG2 3.3Å; A93-T97 WeakPolarHBondContact O-CG2 3.32Å; A93-T97 PolarHBondContact O-N 2.72Å; A93-T97 PolarHBondContact O-OG1 3.01Å; A93-E228 WeakPolarHBondContact CB-OE1 3.34Å; A93-Y232 WeakPolarHBondContact CB-OH 3.44Å
94T93.4Very high90.8Very high10 Ų1040.6 Ų40.66%0.06124%0.239CC..Hα-helixtrans-65.6-29.8179.660.60000112.6I90 F91 T97 T98 I99 G100 Y101I90-T94 HydrophobicContact CG2-CG2 4.41Å; I90-T94 VanDerWaalsContact O-CG2 3.25Å; I90-T94 WeakPolarHBondContact O-CG2 3.1Å; I90-T94 PolarHBondContact O-N 3.17Å; I90-T94 PolarHBondContact O-OG1 3.31Å; F91-T94 PolarHBondContact O-N 2.86Å; F91-T94 VanDerWaalsContact O-N 3.12Å; F91-T94 PolarHBondContact O-OG1 3.3Å; T94-T97 WeakPolarHBondContact CA-OG1 3.45Å; T94-T97 PolarHBondContact O-OG1 3.39Å; T94-T98 PolarHBondContact O-N 2.93Å; T94-I99 PolarHBondContact O-N 3.37Å; T94-I99 VanDerWaalsContact O-N 3.14Å; T94-G100 PolarHBondContact O-N 2.98Å; T94-Y101 HydrophobicContact CG2-CD2 3.67Å; T94-Y101 HydrophobicContact CG2-CE2 3.84Å
95V95.6Very high90.9Very high28 Ų2839.9 Ų39.917%0.1724%0.241CC..Hα-helixtrans-67.8-52.41731750000111.2F91 A93 T97 T98 Y118F91-V95 HydrophobicContact CE1-CG2 4.01Å; F91-V95 HydrophobicContact CE2-CG2 4.01Å; F91-V95 HydrophobicContact CZ-CG2 3.71Å; F91-V95 WeakPolarHBondContact O-CG2 3.39Å; F91-V95 PolarHBondContact O-N 2.93Å; F91-V95 VanDerWaalsContact O-N 3.07Å; A93-V95 VanDerWaalsContact C-N 3.27Å; A93-V95 PolarHBondContact O-N 2.69Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 2.54Å; V95-T98 PolarHBondContact O-N 3.21Å; V95-Y118 HydrophobicContact CB-CD1 4.38Å; V95-Y118 HydrophobicContact CB-CE1 4.26Å; V95-Y118 HydrophobicContact CG1-CD1 3.91Å; V95-Y118 HydrophobicContact CG1-CE1 4.23Å
96I95.7Very high91.2Very high32 Ų3231.3 Ų31.316%0.16421%0.212CC..Hα-helixtrans-72.2-26.8-175.764.8177.2000113.3A92 A93 T98 Y118 C126A92-I96 PolarHBondContact O-N 2.78Å; A93-I96 WeakPolarHBondContact O-CG1 3.29Å; A93-I96 PolarHBondContact O-N 2.6Å; I96-T98 PolarHBondContact O-N 3.12Å; I96-Y118 HydrophobicContact CG2-CD1 4.28Å; I96-Y118 HydrophobicContact CG2-CE1 3.48Å; I96-Y118 VanDerWaalsContact CG2-CE1 3.48Å; I96-Y118 WeakPolarHBondContact CG2-OH 3.47Å; I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.49Å; I96-C126 HydrophobicContact CG1-CB 4.3Å; I96-C126 VanDerWaalsContact O-CB 3.29Å; I96-C126 WeakPolarHBondContact O-CB 3.32Å
97T93.7Very high91.4Very high5 Ų533.3 Ų33.33%0.03122%0.215CC..THydrogen-bonded Turntrans-80.5-2.717552.70000113.2A93 T94 V95 I99 Y232 L235A93-T97 WeakPolarHBondContact O-CB 3.41Å; A93-T97 VanDerWaalsContact O-CG2 3.3Å; A93-T97 WeakPolarHBondContact O-CG2 3.32Å; A93-T97 PolarHBondContact O-N 2.72Å; A93-T97 PolarHBondContact O-OG1 3.01Å; T94-T97 WeakPolarHBondContact CA-OG1 3.45Å; T94-T97 PolarHBondContact O-OG1 3.39Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 2.54Å; T97-I99 PolarHBondContact O-N 3.36Å; T97-I99 WeakPolarHBondContact OG1-CD1 3.23Å; T97-I99 WeakPolarHBondContact OG1-CG1 3.48Å; T97-Y232 HydrophobicContact CG2-CD1 4.19Å; T97-Y232 HydrophobicContact CG2-CE1 3.65Å; T97-L235 HydrophobicContact CG2-CD1 3.85Å
98T95Very high91.8Very high65 Ų6537.5 Ų37.540%0.39924%0.241SC..THydrogen-bonded Turntrans60.118.8-176.667.50000114.3T94 V95 I96 V123T94-T98 PolarHBondContact O-N 2.93Å; V95-T98 PolarHBondContact O-N 3.21Å; I96-T98 PolarHBondContact O-N 3.12Å; T98-V123 HydrophobicContact CG2-CB 4.23Å; T98-V123 HydrophobicContact CG2-CG1 3.47Å; T98-V123 VanDerWaalsContact CG2-CG1 3.47Å; T98-V123 HydrophobicContact CG2-CG2 3.69Å
99I94.7Very high92Very high5 Ų540.6 Ų40.63%0.02626%0.261CS..  trans-74.1-52.5174.3-62.1169.8000109.2T94 T97 Y101 T200 T203 G205 I231 L235T94-I99 PolarHBondContact O-N 3.37Å; T94-I99 VanDerWaalsContact O-N 3.14Å; T97-I99 PolarHBondContact O-N 3.36Å; T97-I99 WeakPolarHBondContact OG1-CD1 3.23Å; T97-I99 WeakPolarHBondContact OG1-CG1 3.48Å; I99-Y101 HydrophobicContact CG2-CD1 3.92Å; I99-Y101 HydrophobicContact CG2-CD2 4.27Å; I99-Y101 HydrophobicContact CG2-CE1 3.69Å; I99-Y101 HydrophobicContact CG2-CE2 4.06Å; I99-Y101 HydrophobicContact CG2-CG 4.21Å; I99-T200 HydrophobicContact CD1-CG2 4.24Å; I99-T203 HydrophobicContact CG1-CG2 4.07Å; I99-G205 WeakPolarHBondContact O-CA 3.44Å; I99-I231 HydrophobicContact CD1-CG2 3.57Å; I99-L235 HydrophobicContact CD1-CD1 4.45Å
100G92.8Very high92.4Very high44 Ų4445.2 Ų45.245%0.45428%0.278SS..  trans5358.5173.400000115.2T94 G102T94-G100 PolarHBondContact O-N 2.98Å; G100-G102 PolarHBondContact O-N 3.34Å
101Y91.1Very high92.7Very high14 Ų1444.7 Ų44.76%0.05528%0.28CS..  trans-49.2-33-178.4-70-57.6000114.4T94 I99 N103 F196 T200 G205 F206 G207 V210T94-Y101 HydrophobicContact CG2-CD2 3.67Å; T94-Y101 HydrophobicContact CG2-CE2 3.84Å; I99-Y101 HydrophobicContact CG2-CD1 3.92Å; I99-Y101 HydrophobicContact CG2-CD2 4.27Å; I99-Y101 HydrophobicContact CG2-CE1 3.69Å; I99-Y101 HydrophobicContact CG2-CE2 4.06Å; I99-Y101 HydrophobicContact CG2-CG 4.21Å; Y101-N103 WeakPolarHBondContact CB-OD1 3.36Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.11Å; Y101-F196 HydrophobicContact CE1-CE2 4.12Å; Y101-F196 WeakPolarHBondContact OH-CE2 3.43Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.46Å; Y101-T200 PolarHBondContact OH-OG1 3.22Å; Y101-G205 VanDerWaalsContact CA-O 3.3Å; Y101-G205 WeakPolarHBondContact CA-O 3.44Å; Y101-F206 CarbonylContact O-C 3.51Å; Y101-G207 WeakPolarHBondContact O-CA 3.4Å; Y101-G207 PolarHBondContact O-N 3.02Å; Y101-V210 HydrophobicContact CD1-CG2 4.14Å; Y101-V210 HydrophobicContact CD2-CG1 4.34Å; Y101-V210 HydrophobicContact CD2-CG2 4.3Å; Y101-V210 HydrophobicContact CE2-CG1 4.42Å; Y101-V210 HydrophobicContact CG-CG2 3.96Å
102G87.7Confident92.9Very high57 Ų5749.2 Ų49.259%0.58830%0.296SS*.  trans75.8-3.117600000115.1G100 I104G100-G102 PolarHBondContact O-N 3.34Å; G102-I104 PolarHBondContact O-N 2.94Å
103N84.8Confident93.1Very high66 Ų6651.8 Ų51.835%0.35331%0.309SS..SBendtrans-63.3-27.8169.867.1-40.9000112.5Y101 V210Y101-N103 WeakPolarHBondContact CB-OD1 3.36Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.11Å; N103-V210 HydrophobicContact CB-CG2 4.38Å
104I86.4Confident93.3Very high20 Ų2058.1 Ų58.110%0.10334%0.336CS..SBendtrans-128.7130.6173-56.9169.2000107.8N82 W83 F91 G102N82-I104 HydrophobicContact CB-CD1 3.93Å; N82-I104 HydrophobicContact CB-CG1 4.15Å; N82-I104 HydrophobicContact CB-CG2 4.37Å; N82-I104 WeakPolarHBondContact OD1-CD1 3.31Å; W83-I104 HydrophobicContact CD2-CG2 4.45Å; W83-I104 HydrophobicContact CH2-CG2 3.9Å; W83-I104 HydrophobicContact CZ2-CG2 3.49Å; W83-I104 VanDerWaalsContact CZ2-CG2 3.49Å; F91-I104 HydrophobicContact CD2-CG2 4.41Å; F91-I104 WeakPolarHBondContact CE2-O 3.16Å; G102-I104 PolarHBondContact O-N 2.94Å
105A90.1Very high93.5Very high38 Ų3859.2 Ų59.231%0.31434%0.343SS..  trans-148.3147.6179.900000111.6K107A105-K107 PolarHBondContact O-N 3.23Å
106P93.1Very high93.6Very high25 Ų2563.4 Ų63.416%0.16236%0.363CS..  trans-65.7126.6177.926.6-33.5000111.1R112 C115P106-R112 HydrophobicContact CB-CG 4.32Å; P106-R112 HydrophobicContact CG-CG 4.17Å; P106-R112 WeakPolarHBondContact O-CG 3.35Å; P106-R112 PolarHBondContact O-NE 2.99Å; P106-R112 VanDerWaalsContact O-NE 3.17Å; P106-C115 HydrophobicContact CG-CB 4.17Å
107K90.5Very high93.7Very high91 Ų9167.3 Ų67.340%0.39638%0.38SS..  trans-98.4-22.5179.4-55.4-62.8172.8164.40112.8G69 A105G69-K107 WeakPolarHBondContact O-CE 3.33Å; G69-K107 PolarHBondContact O-NZ 3.49Å; A105-K107 PolarHBondContact O-N 3.23Å
108T94.3Very high93.8Very high89 Ų8970.7 Ų70.755%0.54639%0.392SS..SBendtrans-78.5145176.758.90000111.4E110 G111 R112T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 PolarHBondContact O-N 3.03Å; T108-G111 PolarHBondContact O-N 3.45Å; T108-G111 PolarHBondContact OG1-N 2.83Å; T108-G111 VanDerWaalsContact OG1-N 3.16Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3.28Å
109S96.3Very high93.9Very high95 Ų9568.3 Ų68.366%0.66438%0.381SS*.Hα-helixtrans-58.1-44.2176-560000111.5G111 R112 V113S109-G111 PolarHBondContact O-N 3.42Å; S109-R112 PolarHBondContact O-N 3.46Å; S109-V113 WeakPolarHBondContact O-CG2 3.32Å; S109-V113 PolarHBondContact O-N 3.28Å
110E96.9Very high94Very high165 Ų16573.2 Ų73.277%0.77141%0.407SS*.Hα-helixtrans-60.6-45.4176.5-63176.7179.600112.1T108 R112 V113 F114T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 PolarHBondContact O-N 3.03Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.19Å; E110-V113 PolarHBondContact O-N 3.35Å; E110-F114 WeakPolarHBondContact O-CB 3.46Å; E110-F114 PolarHBondContact O-N 2.93Å
111G95.8Very high94.2Very high20 Ų2078 Ų7821%0.20642%0.415CS..Hα-helixtrans-64.3-35.7178.600000112.7T108 S109 C115T108-G111 PolarHBondContact O-N 3.45Å; T108-G111 PolarHBondContact OG1-N 2.83Å; T108-G111 VanDerWaalsContact OG1-N 3.16Å; S109-G111 PolarHBondContact O-N 3.42Å; G111-C115 VanDerWaalsContact O-CB 3.28Å; G111-C115 WeakPolarHBondContact O-CB 3.29Å; G111-C115 PolarHBondContact O-N 2.85Å
112R96.2Very high94.4Very high135 Ų13578 Ų7851%0.50942%0.419SS..Hα-helixtrans-67.5-46174.6-71.2174.2-179.3179.11.1111.7P106 T108 S109 E110 F114 C115 I116P106-R112 HydrophobicContact CB-CG 4.32Å; P106-R112 HydrophobicContact CG-CG 4.17Å; P106-R112 WeakPolarHBondContact O-CG 3.35Å; P106-R112 PolarHBondContact O-NE 2.99Å; P106-R112 VanDerWaalsContact O-NE 3.17Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3.28Å; S109-R112 PolarHBondContact O-N 3.46Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.19Å; R112-F114 VanDerWaalsContact C-N 3.35Å; R112-F114 PolarHBondContact O-N 3.47Å; R112-C115 WeakPolarHBondContact O-CB 3.43Å; R112-C115 PolarHBondContact O-N 3.28Å; R112-I116 WeakPolarHBondContact O-CG1 3.3Å; R112-I116 PolarHBondContact O-N 3.26Å
113V97.9Very high94.8Very high78 Ų7876.9 Ų76.947%0.47340%0.401SS..Hα-helixtrans-60.5-45.8176.2173.40000110.6S109 E110 C115 I116 F117S109-V113 WeakPolarHBondContact O-CG2 3.32Å; S109-V113 PolarHBondContact O-N 3.28Å; E110-V113 PolarHBondContact O-N 3.35Å; V113-C115 VanDerWaalsContact C-N 3.34Å; V113-C115 PolarHBondContact O-N 3.48Å; V113-I116 WeakPolarHBondContact O-CB 3.44Å; V113-I116 PolarHBondContact O-N 3.46Å; V113-F117 HydrophobicContact CG1-CD2 4.13Å; V113-F117 HydrophobicContact CG1-CE2 3.79Å; V113-F117 VanDerWaalsContact O-CD2 3.29Å; V113-F117 WeakPolarHBondContact O-CD2 3.45Å; V113-F117 PolarHBondContact O-N 3.41Å
114F97.6Very high95.3Very high139 Ų13977 Ų7761%0.6141%0.405SS*.Hα-helixtrans-59.1-44.3174.4176-102.3000112.1E110 R112 I116 F117 Y118E110-F114 WeakPolarHBondContact O-CB 3.46Å; E110-F114 PolarHBondContact O-N 2.93Å; R112-F114 VanDerWaalsContact C-N 3.35Å; R112-F114 PolarHBondContact O-N 3.47Å; F114-I116 VanDerWaalsContact C-N 3.26Å; F114-I116 PolarHBondContact O-N 2.98Å; F114-F117 PolarHBondContact O-N 3.32Å; F114-Y118 HydrophobicContact CE1-CG 4.37Å; F114-Y118 HydrophobicContact CZ-CD2 4.25Å; F114-Y118 HydrophobicContact CZ-CG 4.49Å; F114-Y118 VanDerWaalsContact O-CB 3.29Å; F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.2Å
115C96.9Very high95.7Very high32 Ų3281.8 Ų81.822%0.21643%0.43CS..Hα-helixtrans-60.5-34.3178.8-168.60000112.7P106 G111 R112 V113 G119P106-C115 HydrophobicContact CG-CB 4.17Å; G111-C115 VanDerWaalsContact O-CB 3.28Å; G111-C115 WeakPolarHBondContact O-CB 3.29Å; G111-C115 PolarHBondContact O-N 2.85Å; R112-C115 WeakPolarHBondContact O-CB 3.43Å; R112-C115 PolarHBondContact O-N 3.28Å; V113-C115 VanDerWaalsContact C-N 3.34Å; V113-C115 PolarHBondContact O-N 3.48Å; C115-G119 PolarHBondContact O-N 3.1Å
116I97.3Very high95.9Very high116 Ų11680 Ų8060%0.59542%0.416SS*.Hα-helixtrans-62.1-53.1175.6-67.9165.2000110.2R112 V113 F114 Y118 G119 L120R112-I116 WeakPolarHBondContact O-CG1 3.3Å; R112-I116 PolarHBondContact O-N 3.26Å; V113-I116 WeakPolarHBondContact O-CB 3.44Å; V113-I116 PolarHBondContact O-N 3.46Å; F114-I116 VanDerWaalsContact C-N 3.26Å; F114-I116 PolarHBondContact O-N 2.98Å; I116-Y118 PolarHBondContact O-N 2.91Å; I116-G119 PolarHBondContact O-N 3.38Å; I116-L120 WeakPolarHBondContact O-CB 3.29Å; I116-L120 PolarHBondContact O-N 2.85Å
117F97.8Very high95.7Very high115 Ų11583.5 Ų83.550%0.50443%0.433SS..Hα-helixtrans-64.9-40.8178.8-70.2-69000112V113 F114 G119 L120 F121V113-F117 HydrophobicContact CG1-CD2 4.13Å; V113-F117 HydrophobicContact CG1-CE2 3.79Å; V113-F117 VanDerWaalsContact O-CD2 3.29Å; V113-F117 WeakPolarHBondContact O-CD2 3.45Å; V113-F117 PolarHBondContact O-N 3.41Å; F114-F117 PolarHBondContact O-N 3.32Å; F117-G119 PolarHBondContact O-N 3.04Å; F117-L120 PolarHBondContact O-N 3.47Å; F117-F121 HydrophobicContact CD1-CE2 4.39Å; F117-F121 WeakPolarHBondContact O-CD2 3.24Å; F117-F121 PolarHBondContact O-N 3.43Å
118Y97.6Very high95.8Very high75 Ų7583.3 Ų83.329%0.29444%0.439SS..Hα-helixtrans-61-43.3177.4-175.8-107000111.9A92 V95 I96 F114 I116 G122A92-Y118 HydrophobicContact CB-CE1 4.07Å; A92-Y118 WeakPolarHBondContact O-CE1 3.44Å; A92-Y118 PolarHBondContact O-OH 2.82Å; V95-Y118 HydrophobicContact CB-CD1 4.38Å; V95-Y118 HydrophobicContact CB-CE1 4.26Å; V95-Y118 HydrophobicContact CG1-CD1 3.91Å; V95-Y118 HydrophobicContact CG1-CE1 4.23Å; I96-Y118 HydrophobicContact CG2-CD1 4.28Å; I96-Y118 HydrophobicContact CG2-CE1 3.48Å; I96-Y118 VanDerWaalsContact CG2-CE1 3.48Å; I96-Y118 WeakPolarHBondContact CG2-OH 3.47Å; F114-Y118 HydrophobicContact CE1-CG 4.37Å; F114-Y118 HydrophobicContact CZ-CD2 4.25Å; F114-Y118 HydrophobicContact CZ-CG 4.49Å; F114-Y118 VanDerWaalsContact O-CB 3.29Å; F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.2Å; I116-Y118 PolarHBondContact O-N 2.91Å; Y118-G122 VanDerWaalsContact O-CA 3.31Å; Y118-G122 WeakPolarHBondContact O-CA 3.02Å; Y118-G122 PolarHBondContact O-N 3.16Å
119G96.4Very high95.7Very high16 Ų1684 Ų8417%0.16543%0.432CS..Hα-helixtrans-65.7-43.2174.300000112.9C115 I116 F117 F121 G122 V123C115-G119 PolarHBondContact O-N 3.1Å; I116-G119 PolarHBondContact O-N 3.38Å; F117-G119 PolarHBondContact O-N 3.04Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 2.89Å; G119-G122 PolarHBondContact O-N 2.95Å; G119-V123 WeakPolarHBondContact O-CB 3.35Å; G119-V123 WeakPolarHBondContact O-CG2 3.39Å; G119-V123 PolarHBondContact O-N 2.98Å
120L96.5Very high95.3Very high108 Ų10880.3 Ų80.357%0.56540%0.404SS*.Hα-helixtrans-57-44.1-178.8-178.665.3000112.6I116 F117 P124I116-L120 WeakPolarHBondContact O-CB 3.29Å; I116-L120 PolarHBondContact O-N 2.85Å; F117-L120 PolarHBondContact O-N 3.47Å; L120-P124 WeakPolarHBondContact O-CD 3.37Å; L120-P124 WeakPolarHBondContact O-CG 3.47Å
121F96.1Very high94.8Very high145 Ų14574.2 Ų74.264%0.63638%0.38SS*.Hα-helixtrans-90.4-35.3179.2-61.4-65.6000113F117 G119 L125F117-F121 HydrophobicContact CD1-CE2 4.39Å; F117-F121 WeakPolarHBondContact O-CD2 3.24Å; F117-F121 PolarHBondContact O-N 3.43Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 2.89Å; F121-L125 WeakPolarHBondContact O-CB 3.44Å; F121-L125 PolarHBondContact O-N 2.94Å
122G96.6Very high94.5Very high12 Ų1279.4 Ų79.412%0.12440%0.399CS..Hα-helixtrans-72.3-39.9-174.600000113.7Y118 G119 L125 C126Y118-G122 VanDerWaalsContact O-CA 3.31Å; Y118-G122 WeakPolarHBondContact O-CA 3.02Å; Y118-G122 PolarHBondContact O-N 3.16Å; G119-G122 PolarHBondContact O-N 2.95Å; G122-L125 PolarHBondContact O-N 3.32Å; G122-C126 WeakPolarHBondContact O-CB 3.5Å; G122-C126 PolarHBondContact O-N 2.74Å
123V95.9Very high94.1Very high34 Ų3475.1 Ų75.121%0.20639%0.386CS..Hα-helixtrans-64.1-50.8-178.5170.90000112.1T98 G119 L125 C126 L127T98-V123 HydrophobicContact CG2-CB 4.23Å; T98-V123 HydrophobicContact CG2-CG1 3.47Å; T98-V123 VanDerWaalsContact CG2-CG1 3.47Å; T98-V123 HydrophobicContact CG2-CG2 3.69Å; G119-V123 WeakPolarHBondContact O-CB 3.35Å; G119-V123 WeakPolarHBondContact O-CG2 3.39Å; G119-V123 PolarHBondContact O-N 2.98Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.84Å; V123-C126 PolarHBondContact O-N 3.06Å; V123-L127 HydrophobicContact CG1-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 3.41Å
124P95.9Very high93.4Very high70 Ų7071.4 Ų71.446%0.45536%0.363SS..Hα-helixtrans-58-42.7175.9-25.435.2000112.8L120 L127 T128L120-P124 WeakPolarHBondContact O-CD 3.37Å; L120-P124 WeakPolarHBondContact O-CG 3.47Å; P124-L127 PolarHBondContact O-N 3.25Å; P124-T128 WeakPolarHBondContact O-CG2 3.2Å; P124-T128 PolarHBondContact O-N 3.36Å
125L94.5Very high92.8Very high119 Ų11971.4 Ų71.462%0.62336%0.363SS*.Hα-helixtrans-62.1-46.4178.1-175.4136.5000111.4F121 G122 V123 L127 T128 W129F121-L125 WeakPolarHBondContact O-CB 3.44Å; F121-L125 PolarHBondContact O-N 2.94Å; G122-L125 PolarHBondContact O-N 3.32Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.84Å; L125-L127 PolarHBondContact O-N 2.96Å; L125-T128 PolarHBondContact O-N 3.46Å; L125-T128 PolarHBondContact O-OG1 3.22Å; L125-W129 PolarHBondContact O-N 3Å
126C93.5Very high92.2Very high2 Ų274.6 Ų74.61%0.01437%0.373CS..Hα-helixtrans-61.7-42.8176.6-169.10000112.1I96 G122 V123 T128 W129 I130I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.49Å; I96-C126 HydrophobicContact CG1-CB 4.3Å; I96-C126 VanDerWaalsContact O-CB 3.29Å; I96-C126 WeakPolarHBondContact O-CB 3.32Å; G122-C126 WeakPolarHBondContact O-CB 3.5Å; G122-C126 PolarHBondContact O-N 2.74Å; V123-C126 PolarHBondContact O-N 3.06Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.34Å; C126-W129 PolarHBondContact O-N 3.37Å; C126-I130 WeakPolarHBondContact O-CB 3.36Å; C126-I130 VanDerWaalsContact O-CG1 3.32Å; C126-I130 WeakPolarHBondContact O-CG1 3.38Å; C126-I130 PolarHBondContact O-N 3.33Å
127L90.1Very high91.4Very high98 Ų9871.7 Ų71.751%0.51336%0.357SS..Hα-helixtrans-62.6-38.8177.2-71175.3000112.6V123 P124 L125 S131V123-L127 HydrophobicContact CG1-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 3.41Å; P124-L127 PolarHBondContact O-N 3.25Å; L125-L127 PolarHBondContact O-N 2.96Å; L127-S131 VanDerWaalsContact O-CB 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.9Å
128T91.4Very high90.6Very high86 Ų8667 Ų6753%0.52834%0.34SS..Hα-helixtrans-64.7-44.717459.70000111.5P124 L125 C126 S131 E132P124-T128 WeakPolarHBondContact O-CG2 3.2Å; P124-T128 PolarHBondContact O-N 3.36Å; L125-T128 PolarHBondContact O-N 3.46Å; L125-T128 PolarHBondContact O-OG1 3.22Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.34Å; T128-S131 WeakPolarHBondContact O-CB 3.41Å; T128-S131 PolarHBondContact O-N 3.19Å; T128-E132 WeakPolarHBondContact O-CG 3.36Å; T128-E132 PolarHBondContact O-N 3.18Å
129W91.9Very high89.8Confident105 Ų10565.2 Ų65.240%0.39835%0.345SS..Hα-helixtrans-61.7-46.617717663.8000112.5L125 C126 S131 E132 L133 Y232L125-W129 PolarHBondContact O-N 3Å; C126-W129 PolarHBondContact O-N 3.37Å; W129-S131 VanDerWaalsContact C-N 3.29Å; W129-S131 PolarHBondContact O-N 2.87Å; W129-E132 PolarHBondContact O-N 3.42Å; W129-L133 HydrophobicContact CD2-CD1 3.89Å; W129-L133 VanDerWaalsContact CE2-CD1 3.47Å; W129-L133 HydrophobicContact CE3-CD1 4.26Å; W129-L133 HydrophobicContact CH2-CD1 3.96Å; W129-L133 HydrophobicContact CZ2-CD1 3.54Å; W129-L133 HydrophobicContact CZ3-CD1 4.29Å; W129-L133 WeakPolarHBondContact O-CG 3.37Å; W129-L133 PolarHBondContact O-N 3.46Å; W129-Y232 AromaticContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 4.16Å; W129-Y232 HydrophobicContact CH2-CE1 4.41Å; W129-Y232 AromaticContact CH2-CG 3.86Å; W129-Y232 HydrophobicContact CH2-CG 3.86Å; W129-Y232 AromaticContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CE1 4.04Å; W129-Y232 HydrophobicContact CZ3-CG 4.09Å
130I89Confident89Confident16 Ų1671.8 Ų71.88%0.08236%0.364CS..Hα-helixtrans-60.3-39.8175.6-70.6169.4000110.8C126 L133 G134 L235 S239C126-I130 WeakPolarHBondContact O-CB 3.36Å; C126-I130 VanDerWaalsContact O-CG1 3.32Å; C126-I130 WeakPolarHBondContact O-CG1 3.38Å; C126-I130 PolarHBondContact O-N 3.33Å; I130-L133 PolarHBondContact O-N 2.94Å; I130-G134 PolarHBondContact O-N 3.24Å; I130-L235 HydrophobicContact CD1-CB 4.18Å; I130-L235 HydrophobicContact CD1-CD1 4.13Å; I130-L235 HydrophobicContact CG2-CB 4.48Å; I130-S239 PolarHBondContact O-OG 3.45Å
131S86.7Confident88Confident38 Ų3867.2 Ų67.227%0.26634%0.342SS..Hα-helixtrans-64.3-40.7176.6-175.30000112.3L127 T128 W129 G134 K135L127-S131 VanDerWaalsContact O-CB 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.9Å; T128-S131 WeakPolarHBondContact O-CB 3.41Å; T128-S131 PolarHBondContact O-N 3.19Å; W129-S131 VanDerWaalsContact C-N 3.29Å; W129-S131 PolarHBondContact O-N 2.87Å; S131-G134 PolarHBondContact O-N 3.47Å; S131-K135 WeakPolarHBondContact O-CG 3.5Å; S131-K135 PolarHBondContact O-N 2.98Å
132E89.1Confident87Confident129 Ų12965.8 Ų65.860%0.60334%0.336SS*.Hα-helixtrans-67-44.2174.9-71.6-170.2169.100112.4T128 W129 G134 K135 F136T128-E132 WeakPolarHBondContact O-CG 3.36Å; T128-E132 PolarHBondContact O-N 3.18Å; W129-E132 PolarHBondContact O-N 3.42Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.86Å; E132-K135 PolarHBondContact O-N 3.43Å; E132-F136 WeakPolarHBondContact O-CB 3.11Å; E132-F136 PolarHBondContact O-N 3.48Å
133L87.1Confident86.2Confident44 Ų4471.4 Ų71.423%0.2336%0.359CS..Hα-helixtrans-58.2-44.2172.8-74.4178.3000111.3W129 I130 K135 F136 F137 A236W129-L133 HydrophobicContact CD2-CD1 3.89Å; W129-L133 VanDerWaalsContact CE2-CD1 3.47Å; W129-L133 HydrophobicContact CE3-CD1 4.26Å; W129-L133 HydrophobicContact CH2-CD1 3.96Å; W129-L133 HydrophobicContact CZ2-CD1 3.54Å; W129-L133 HydrophobicContact CZ3-CD1 4.29Å; W129-L133 WeakPolarHBondContact O-CG 3.37Å; W129-L133 PolarHBondContact O-N 3.46Å; I130-L133 PolarHBondContact O-N 2.94Å; L133-K135 PolarHBondContact O-N 3.07Å; L133-F136 WeakPolarHBondContact O-CB 3.39Å; L133-F136 PolarHBondContact O-N 3.5Å; L133-F137 WeakPolarHBondContact O-CD2 3.5Å; L133-F137 PolarHBondContact O-N 2.93Å; L133-A236 HydrophobicContact CB-CB 3.79Å; L133-A236 HydrophobicContact CD1-CB 4.42Å
134G84.3Confident85.1Confident0 Ų075 Ų750%038%0.376CS..Hα-helixtrans-55.6-52173.300000111.6I130 S131 E132 F136 F137 G138 S239 L240I130-G134 PolarHBondContact O-N 3.24Å; S131-G134 PolarHBondContact O-N 3.47Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.86Å; G134-F136 VanDerWaalsContact C-N 3.29Å; G134-F136 PolarHBondContact O-N 2.66Å; G134-F137 PolarHBondContact O-N 3.35Å; G134-G138 PolarHBondContact O-N 3.18Å; G134-S239 WeakPolarHBondContact CA-OG 3.35Å; G134-L240 WeakPolarHBondContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.36Å; G134-L240 VanDerWaalsContact O-CG 3.23Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å
135K83.9Confident83.9Confident140 Ų14071.9 Ų71.961%0.60936%0.356SS*.Hα-helixtrans-58.4-39.9177.3-71169.4-170.41680112.3S131 E132 L133 G138 G139S131-K135 WeakPolarHBondContact O-CG 3.5Å; S131-K135 PolarHBondContact O-N 2.98Å; E132-K135 PolarHBondContact O-N 3.43Å; L133-K135 PolarHBondContact O-N 3.07Å; K135-G138 PolarHBondContact O-N 3.42Å; K135-G139 PolarHBondContact O-N 2.93Å
136F85.3Confident82.9Confident98 Ų9871.7 Ų71.743%0.4335%0.352SS..Hα-helixtrans-59.8-52.1176.6175-95.8000111.6E132 L133 G134 G138 G139 R140E132-F136 WeakPolarHBondContact O-CB 3.11Å; E132-F136 PolarHBondContact O-N 3.48Å; L133-F136 WeakPolarHBondContact O-CB 3.39Å; L133-F136 PolarHBondContact O-N 3.5Å; G134-F136 VanDerWaalsContact C-N 3.29Å; G134-F136 PolarHBondContact O-N 2.66Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 3.02Å; F136-G139 PolarHBondContact O-N 3.28Å; F136-G139 VanDerWaalsContact O-N 3.14Å; F136-R140 HydrophobicContact CE1-CG 4.4Å; F136-R140 VanDerWaalsContact CE2-CZ 3.46Å; F136-R140 VanDerWaalsContact CZ-NH1 3.29Å; F136-R140 WeakPolarHBondContact O-CG 3.3Å; F136-R140 PolarHBondContact O-N 3.28Å
137F80.6Confident82Confident56 Ų5678.2 Ų78.225%0.24638%0.381CS..Hα-helixtrans-61.6-39.1175.9-75-64.2000112.2L133 G134 G139 R140 A141 F166 L233 A236 L240L133-F137 WeakPolarHBondContact O-CD2 3.5Å; L133-F137 PolarHBondContact O-N 2.93Å; G134-F137 PolarHBondContact O-N 3.35Å; F137-G139 VanDerWaalsContact C-N 3.33Å; F137-G139 PolarHBondContact O-N 3.31Å; F137-R140 PolarHBondContact O-N 3.5Å; F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 3.37Å; F137-F166 HydrophobicContact CB-CZ 4.08Å; F137-L233 HydrophobicContact CE2-CD2 4.1Å; F137-L233 HydrophobicContact CZ-CD2 3.62Å; F137-A236 HydrophobicContact CD2-CB 4.09Å; F137-A236 HydrophobicContact CE2-CB 4.02Å; F137-L240 HydrophobicContact CB-CD1 3.64Å
138G79.7Confident81.1Confident15 Ų1577 Ų7716%0.15537%0.374CS..Hα-helixtrans-64.1-36.5175.100000113G134 K135 F136 K142G134-G138 PolarHBondContact O-N 3.18Å; K135-G138 PolarHBondContact O-N 3.42Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 3.02Å; G138-K142 WeakPolarHBondContact O-CG 3.18Å; G138-K142 PolarHBondContact O-N 2.88Å
139G80.7Confident80.1Confident38 Ų3874 Ų7439%0.39236%0.356SS..Hα-helixtrans-63.9-44.4173.100000111.9K135 F136 F137 K142 H143K135-G139 PolarHBondContact O-N 2.93Å; F136-G139 PolarHBondContact O-N 3.28Å; F136-G139 VanDerWaalsContact O-N 3.14Å; F137-G139 VanDerWaalsContact C-N 3.33Å; F137-G139 PolarHBondContact O-N 3.31Å; G139-K142 WeakPolarHBondContact O-CB 3.37Å; G139-K142 PolarHBondContact O-N 2.83Å; G139-H143 PolarHBondContact O-N 2.96Å
140R80.2Confident79.1Confident154 Ų15478 Ų7858%0.58138%0.376SS*.Hα-helixtrans-65.5-41.4176.1-62.1-64.5165.292.2-6.6112.2F136 F137 K142 H143 L144F136-R140 HydrophobicContact CE1-CG 4.4Å; F136-R140 VanDerWaalsContact CE2-CZ 3.46Å; F136-R140 VanDerWaalsContact CZ-NH1 3.29Å; F136-R140 WeakPolarHBondContact O-CG 3.3Å; F136-R140 PolarHBondContact O-N 3.28Å; F137-R140 PolarHBondContact O-N 3.5Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 2.99Å; R140-H143 PolarHBondContact O-N 2.81Å; R140-L144 PolarHBondContact O-N 2.88Å
141A75.6Confident78.3Confident12 Ų1285.8 Ų85.810%0.09941%0.409CS..Hα-helixtrans-61.4-38.8174.100000112.2F137 G145 F166F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 3.37Å; A141-G145 PolarHBondContact O-N 3.5Å; A141-F166 HydrophobicContact CB-CB 4.36Å; A141-F166 HydrophobicContact CB-CD2 4.01Å; A141-F166 HydrophobicContact CB-CE2 4.48Å; A141-F166 HydrophobicContact CB-CG 4.03Å
142K76.1Confident77.4Confident116 Ų11687.4 Ų87.450%0.50443%0.432SS..Hα-helixtrans-66.2-42.4173.7-76.1174.9-176.5176.50112.3G138 G139 R140 L144 G145 Q146G138-K142 WeakPolarHBondContact O-CG 3.18Å; G138-K142 PolarHBondContact O-N 2.88Å; G139-K142 WeakPolarHBondContact O-CB 3.37Å; G139-K142 PolarHBondContact O-N 2.83Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 2.99Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-G145 CarbonylContact O-C 3.5Å; K142-G145 WeakPolarHBondContact O-CA 3.39Å; K142-G145 PolarHBondContact O-N 3.45Å; K142-G145 VanDerWaalsContact O-N 3.15Å; K142-Q146 WeakPolarHBondContact O-CG 3.15Å; K142-Q146 PolarHBondContact O-N 2.83Å
143H78.3Confident76.2Confident130 Ų13088.1 Ų88.160%0.60243%0.434SS*.Hα-helixtrans-62.8-42.8178-167.8-97.2000111.3G139 R140 G145 Q146 F147G139-H143 PolarHBondContact O-N 2.96Å; R140-H143 PolarHBondContact O-N 2.81Å; H143-G145 VanDerWaalsContact C-N 3.31Å; H143-G145 PolarHBondContact O-N 3.26Å; H143-Q146 PolarHBondContact O-N 3.49Å; H143-F147 PolarHBondContact O-N 3.12Å
144L72.4Confident75.5Confident109 Ų10989.6 Ų89.657%0.57145%0.448SS*.Hα-helixtrans-61.8-40172.4-172.663.4000111.7R140 K142 F147 L148R140-L144 PolarHBondContact O-N 2.88Å; K142-L144 VanDerWaalsContact C-N 3.34Å; L144-F147 WeakPolarHBondContact O-CB 3.43Å; L144-F147 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CG-CD1 4.5Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3Å
145G71.8Confident74.7Confident4 Ų495.8 Ų95.84%0.04148%0.48CS..Hα-helixtrans-65.8-36.8175.100000113.9A141 K142 H143 L148 T149 C162A141-G145 PolarHBondContact O-N 3.5Å; K142-G145 CarbonylContact O-C 3.5Å; K142-G145 WeakPolarHBondContact O-CA 3.39Å; K142-G145 PolarHBondContact O-N 3.45Å; K142-G145 VanDerWaalsContact O-N 3.15Å; H143-G145 VanDerWaalsContact C-N 3.31Å; H143-G145 PolarHBondContact O-N 3.26Å; G145-L148 PolarHBondContact O-N 3.31Å; G145-T149 WeakPolarHBondContact O-CB 3.37Å; G145-T149 PolarHBondContact O-N 3.49Å; G145-T149 PolarHBondContact O-OG1 2.93Å; G145-C162 WeakPolarHBondContact CA-SG 3.3Å
146Q73.2Confident74Confident115 Ų11599.7 Ų99.754%0.53749%0.491SS..Hα-helixtrans-66.7-39.4173.6-73.4174.7-7.400111.4K142 H143 T149 K150K142-Q146 WeakPolarHBondContact O-CG 3.15Å; K142-Q146 PolarHBondContact O-N 2.83Å; H143-Q146 PolarHBondContact O-N 3.49Å; Q146-T149 WeakPolarHBondContact O-CB 3.39Å; Q146-T149 PolarHBondContact O-N 3.06Å; Q146-K150 PolarHBondContact O-N 2.91Å
147F74.2Confident73.4Confident140 Ų140102.6 Ų102.661%0.61450%0.503SS*.Hα-helixtrans-60.2-44.3172.5-175.4-96.3000111.9H143 L144 T149 K150H143-F147 PolarHBondContact O-N 3.12Å; L144-F147 WeakPolarHBondContact O-CB 3.43Å; L144-F147 PolarHBondContact O-N 3.49Å; F147-T149 VanDerWaalsContact C-N 3.31Å; F147-T149 PolarHBondContact O-N 2.86Å; F147-K150 PolarHBondContact O-N 3.31Å
148L70.8Confident73Confident72 Ų72100.2 Ų100.238%0.37749%0.494SS..Hα-helixtrans-67.9-30.3175.2-69.9168.2000112.9L144 G145 K151L144-L148 HydrophobicContact CG-CD1 4.5Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3Å; G145-L148 PolarHBondContact O-N 3.31Å; L148-K151 WeakPolarHBondContact O-CB 3.32Å; L148-K151 PolarHBondContact O-N 3.36Å
149T71.4Confident72.7Confident22 Ų22104.4 Ų104.414%0.13551%0.509CS..Hα-helixtrans-68.7-36.3176.3-54.70000111.5G145 Q146 F147 K151 G152 F153 L155 A158G145-T149 WeakPolarHBondContact O-CB 3.37Å; G145-T149 PolarHBondContact O-N 3.49Å; G145-T149 PolarHBondContact O-OG1 2.93Å; Q146-T149 WeakPolarHBondContact O-CB 3.39Å; Q146-T149 PolarHBondContact O-N 3.06Å; F147-T149 VanDerWaalsContact C-N 3.31Å; F147-T149 PolarHBondContact O-N 2.86Å; T149-K151 PolarHBondContact O-N 3.48Å; T149-G152 PolarHBondContact O-N 2.82Å; T149-F153 VanDerWaalsContact CG2-O 3.25Å; T149-F153 WeakPolarHBondContact CG2-O 3.1Å; T149-L155 HydrophobicContact CG2-CB 4.42Å; T149-L155 HydrophobicContact CG2-CD2 3.76Å; T149-L155 HydrophobicContact CG2-CG 3.74Å; T149-A158 HydrophobicContact CG2-CB 4.44Å; T149-A158 VanDerWaalsContact OG1-CB 3.31Å; T149-A158 WeakPolarHBondContact OG1-CB 3.36Å
150K70.2Confident72.5Confident191 Ų191107.5 Ų107.583%0.8351%0.512SS*.THydrogen-bonded Turntrans-58.5-19.1172.3-71.5-176.1177.7-174.90112.9Q146 F147Q146-K150 PolarHBondContact O-N 2.91Å; F147-K150 PolarHBondContact O-N 3.31Å
151K72.6Confident72.5Confident178 Ų178103.7 Ų103.777%0.77451%0.506SS*.THydrogen-bonded Turntrans-89.39.8177.2-145.9171.4-179.1176.90114.2L148 T149L148-K151 WeakPolarHBondContact O-CB 3.32Å; L148-K151 PolarHBondContact O-N 3.36Å; T149-K151 PolarHBondContact O-N 3.48Å
152G68.4Low72.6Confident72 Ų72104 Ų10474%0.74251%0.507SS*.THydrogen-bonded Turntrans114.79.8165.700000117.2T149T149-G152 PolarHBondContact O-N 2.82Å
153F64.2Low72.8Confident145 Ų145100.1 Ų100.164%0.63649%0.493SS*.  trans-90.3149.3178.1-71.9-89.5000112.8T149 L155 A158T149-F153 VanDerWaalsContact CG2-O 3.25Å; T149-F153 WeakPolarHBondContact CG2-O 3.1Å; F153-L155 PolarHBondContact O-N 2.87Å; F153-A158 HydrophobicContact CB-CB 3.84Å
154S72.4Confident73Confident75 Ų7595.3 Ų95.352%0.52448%0.476SS..  trans-63.9121.9172.4177.70000111.1R156 K157 A158S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.45Å; S154-K157 PolarHBondContact O-N 3.23Å; S154-A158 WeakPolarHBondContact O-CB 3.39Å; S154-A158 PolarHBondContact O-N 3.27Å
155L66.9Low73.6Confident129 Ų12994.9 Ų94.968%0.67547%0.474SS*.Hα-helixtrans-39.5-48.3-177-83.6152.8000114.7T149 F153 Q159T149-L155 HydrophobicContact CG2-CB 4.42Å; T149-L155 HydrophobicContact CG2-CD2 3.76Å; T149-L155 HydrophobicContact CG2-CG 3.74Å; F153-L155 PolarHBondContact O-N 2.87Å; L155-Q159 WeakPolarHBondContact O-CB 3.2Å; L155-Q159 PolarHBondContact O-N 2.73Å
156R69.4Low74.2Confident222 Ų22296.8 Ų96.884%0.83848%0.481SS*.Hα-helixtrans-72.2-38.6-175.1-121.9-174.2-76.2173-4.4113S154S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.45Å
157K72.2Confident74.8Confident160 Ų16092.2 Ų92.270%0.69646%0.46SS*.Hα-helixtrans-76.1-41177.2-67-176.7179.8178.80110.4S154 Q159 F160 T161S154-K157 PolarHBondContact O-N 3.23Å; K157-Q159 PolarHBondContact O-N 2.91Å; K157-F160 PolarHBondContact O-N 2.83Å; K157-T161 WeakPolarHBondContact O-CB 3.47Å; K157-T161 PolarHBondContact O-N 3.3Å; K157-T161 PolarHBondContact O-OG1 2.93Å
158A71.5Confident75.5Confident6 Ų691.4 Ų91.45%0.0546%0.461CS..Hα-helixtrans-58.5-46.1177.600000111.9T149 F153 S154 F160 T161 C162T149-A158 HydrophobicContact CG2-CB 4.44Å; T149-A158 VanDerWaalsContact OG1-CB 3.31Å; T149-A158 WeakPolarHBondContact OG1-CB 3.36Å; F153-A158 HydrophobicContact CB-CB 3.84Å; S154-A158 WeakPolarHBondContact O-CB 3.39Å; S154-A158 PolarHBondContact O-N 3.27Å; A158-F160 PolarHBondContact O-N 2.73Å; A158-T161 PolarHBondContact O-N 3.28Å; A158-C162 WeakPolarHBondContact O-CB 3.44Å; A158-C162 PolarHBondContact O-N 3.45Å; A158-C162 PolarHBondContact O-SG 3.14Å
159Q73.8Confident76.4Confident102 Ų10294.4 Ų94.448%0.47747%0.468SS..Hα-helixtrans-61.6-45.1178.4-174178.4-1800112.2L155 K157 C162 T163L155-Q159 WeakPolarHBondContact O-CB 3.2Å; L155-Q159 PolarHBondContact O-N 2.73Å; K157-Q159 PolarHBondContact O-N 2.91Å; Q159-C162 PolarHBondContact O-N 3.45Å; Q159-T163 WeakPolarHBondContact O-CG2 3.17Å; Q159-T163 PolarHBondContact O-N 3Å; Q159-T163 PolarHBondContact O-OG1 3.35Å
160F77.1Confident77.3Confident104 Ų10493.3 Ų93.346%0.45646%0.461SS..Hα-helixtrans-64.1-46.6177.7-172.3-92.8000111.6K157 A158 C162 T163 A164 W244K157-F160 PolarHBondContact O-N 2.83Å; A158-F160 PolarHBondContact O-N 2.73Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-C162 PolarHBondContact O-N 3.19Å; F160-T163 WeakPolarHBondContact CA-OG1 3.3Å; F160-T163 PolarHBondContact O-N 3.25Å; F160-T163 PolarHBondContact O-OG1 2.85Å; F160-A164 WeakPolarHBondContact O-CB 3.17Å; F160-A164 PolarHBondContact O-N 3.21Å; F160-W244 AromaticContact CE2-CZ2 3.83Å; F160-W244 HydrophobicContact CE2-CZ2 3.83Å; F160-W244 AromaticContact CZ-CZ2 3.9Å; F160-W244 HydrophobicContact CZ-CZ2 3.9Å
161T79.8Confident78.4Confident73 Ų7387 Ų8745%0.44844%0.438SS..Hα-helixtrans-60.3-42.6177.5-56.40000111.6K157 A158 A164 I165K157-T161 WeakPolarHBondContact O-CB 3.47Å; K157-T161 PolarHBondContact O-N 3.3Å; K157-T161 PolarHBondContact O-OG1 2.93Å; A158-T161 PolarHBondContact O-N 3.28Å; T161-A164 PolarHBondContact O-N 2.63Å; T161-I165 HydrophobicContact CG2-CD1 3.88Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.31Å; T161-I165 PolarHBondContact O-N 3.22Å
162C78.7Confident79.4Confident18 Ų1882.3 Ų82.312%0.12242%0.421CS..Hα-helixtrans-66.2-40.3177.5-66.20000112.2G145 A158 Q159 F160 A164 I165 F166G145-C162 WeakPolarHBondContact CA-SG 3.3Å; A158-C162 WeakPolarHBondContact O-CB 3.44Å; A158-C162 PolarHBondContact O-N 3.45Å; A158-C162 PolarHBondContact O-SG 3.14Å; Q159-C162 PolarHBondContact O-N 3.45Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-C162 PolarHBondContact O-N 3.19Å; C162-A164 VanDerWaalsContact C-N 3.33Å; C162-A164 PolarHBondContact O-N 3.32Å; C162-I165 PolarHBondContact O-N 3.33Å; C162-F166 WeakPolarHBondContact O-CB 3.14Å; C162-F166 PolarHBondContact O-N 3.48Å
163T78.8Confident80.6Confident35 Ų3580.7 Ų80.722%0.21540%0.397CS..Hα-helixtrans-63.9-39173.852.30000112.1Q159 F160 F166 L167Q159-T163 WeakPolarHBondContact O-CG2 3.17Å; Q159-T163 PolarHBondContact O-N 3Å; Q159-T163 PolarHBondContact O-OG1 3.35Å; F160-T163 WeakPolarHBondContact CA-OG1 3.3Å; F160-T163 PolarHBondContact O-N 3.25Å; F160-T163 PolarHBondContact O-OG1 2.85Å; T163-F166 PolarHBondContact O-N 2.88Å; T163-L167 WeakPolarHBondContact O-CG 3.39Å; T163-L167 PolarHBondContact O-N 3.33Å
164A82.9Confident82Confident30 Ų3074.2 Ų74.225%0.24837%0.369CS..Hα-helixtrans-66.6-43.5176.500000111.9F160 T161 C162 F166 L167 L168F160-A164 WeakPolarHBondContact O-CB 3.17Å; F160-A164 PolarHBondContact O-N 3.21Å; T161-A164 PolarHBondContact O-N 2.63Å; C162-A164 VanDerWaalsContact C-N 3.33Å; C162-A164 PolarHBondContact O-N 3.32Å; A164-F166 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 3.27Å; A164-L167 PolarHBondContact O-N 2.68Å; A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 3.42Å
165I86Confident83.1Confident100 Ų10072.4 Ų72.451%0.51335%0.353SS..Hα-helixtrans-59.8-44.1174.8-70.1166.4000110.6T161 C162 L167 L168 W169T161-I165 HydrophobicContact CG2-CD1 3.88Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.31Å; T161-I165 PolarHBondContact O-N 3.22Å; C162-I165 PolarHBondContact O-N 3.33Å; I165-L167 PolarHBondContact O-N 3.44Å; I165-L168 PolarHBondContact O-N 2.82Å; I165-W169 WeakPolarHBondContact O-CB 3.26Å; I165-W169 PolarHBondContact O-N 2.97Å
166F84.4Confident84.4Confident44 Ų4468.7 Ų68.719%0.19334%0.336CS..Hα-helixtrans-64.3-40178.4-174.9-95.3000112.4F137 A141 C162 T163 A164 W169 G170 W237 L240F137-F166 HydrophobicContact CB-CZ 4.08Å; A141-F166 HydrophobicContact CB-CB 4.36Å; A141-F166 HydrophobicContact CB-CD2 4.01Å; A141-F166 HydrophobicContact CB-CE2 4.48Å; A141-F166 HydrophobicContact CB-CG 4.03Å; C162-F166 WeakPolarHBondContact O-CB 3.14Å; C162-F166 PolarHBondContact O-N 3.48Å; T163-F166 PolarHBondContact O-N 2.88Å; A164-F166 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 3.27Å; F166-W169 HydrophobicContact CE2-CE3 4.32Å; F166-W169 HydrophobicContact CE2-CZ3 4.38Å; F166-W169 PolarHBondContact O-N 3.37Å; F166-G170 PolarHBondContact O-N 3.13Å; F166-W237 AromaticContact CE1-CD1 3.89Å; F166-L240 HydrophobicContact CD1-CD1 4.44Å; F166-L240 HydrophobicContact CE1-CD1 3.59Å; F166-L240 HydrophobicContact CZ-CD1 4.28Å
167L85.4Confident85.6Confident19 Ų1962.2 Ų62.210%0.09932%0.317CS..Hα-helixtrans-64.4-44.9174-71176.8000111.7T163 A164 I165 W169 G170 V171 W237 F241 W244T163-L167 WeakPolarHBondContact O-CG 3.39Å; T163-L167 PolarHBondContact O-N 3.33Å; A164-L167 PolarHBondContact O-N 2.68Å; I165-L167 PolarHBondContact O-N 3.44Å; L167-W169 VanDerWaalsContact C-N 3.35Å; L167-W169 PolarHBondContact O-N 3.11Å; L167-G170 PolarHBondContact O-N 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.14Å; L167-V171 PolarHBondContact O-N 3.34Å; L167-W237 HydrophobicContact CD2-CZ2 4.4Å; L167-W237 WeakPolarHBondContact O-CZ2 3.37Å; L167-F241 HydrophobicContact CD1-CD2 4.31Å; L167-F241 HydrophobicContact CD2-CB 3.95Å; L167-F241 HydrophobicContact CD2-CD2 4.12Å; L167-W244 HydrophobicContact CD1-CB 4.43Å; L167-W244 HydrophobicContact CD1-CD2 3.57Å; L167-W244 HydrophobicContact CD1-CE3 3.51Å; L167-W244 HydrophobicContact CD1-CG 3.99Å; L167-W244 HydrophobicContact CD1-CH2 4.38Å; L167-W244 HydrophobicContact CD1-CZ2 4.44Å; L167-W244 HydrophobicContact CD1-CZ3 3.94Å
168L89.3Confident86.8Confident122 Ų12255 Ų5564%0.63929%0.287SS*.Hα-helixtrans-62.5-41.4176.2-72.4170.9000112.2A164 I165 G170 V171 L172A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 3.42Å; I165-L168 PolarHBondContact O-N 2.82Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 3.4Å; L168-V171 PolarHBondContact O-N 3.48Å; L168-L172 PolarHBondContact O-N 2.95Å
169W89.7Confident87.9Confident135 Ų13554.8 Ų54.851%0.51129%0.285SS..Hα-helixtrans-62-41.5174.8178.680.9000111.6I165 F166 L167 L172 V173I165-W169 WeakPolarHBondContact O-CB 3.26Å; I165-W169 PolarHBondContact O-N 2.97Å; F166-W169 HydrophobicContact CE2-CE3 4.32Å; F166-W169 HydrophobicContact CE2-CZ3 4.38Å; F166-W169 PolarHBondContact O-N 3.37Å; L167-W169 VanDerWaalsContact C-N 3.35Å; L167-W169 PolarHBondContact O-N 3.11Å; W169-L172 WeakPolarHBondContact O-CB 3.48Å; W169-L172 PolarHBondContact O-N 3.27Å; W169-V173 HydrophobicContact CD2-CG2 4.03Å; W169-V173 HydrophobicContact CH2-CG2 4.22Å; W169-V173 HydrophobicContact CZ2-CG2 3.69Å; W169-V173 WeakPolarHBondContact O-CG2 3.23Å; W169-V173 PolarHBondContact O-N 2.65Å
170G90.5Very high89Confident0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-67.5-35.2176.100000113.5F166 L167 L168 L172 V173 H174F166-G170 PolarHBondContact O-N 3.13Å; L167-G170 PolarHBondContact O-N 3.39Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 3.4Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 2.97Å; G170-V173 PolarHBondContact O-N 3.24Å; G170-H174 VanDerWaalsContact O-CB 3.31Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.84Å; G170-H174 PolarHBondContact O-ND1 3.45Å
171V92.5Very high89.8Confident57 Ų5753.9 Ų53.935%0.34529%0.285SS..Hα-helixtrans-60-44.2169.9172.20000110.6L167 L168 L175 V176 W237L167-V171 WeakPolarHBondContact O-CG2 3.14Å; L167-V171 PolarHBondContact O-N 3.34Å; L168-V171 PolarHBondContact O-N 3.48Å; V171-L175 HydrophobicContact CG1-CD1 4.43Å; V171-L175 WeakPolarHBondContact O-CA 3.27Å; V171-L175 WeakPolarHBondContact O-CB 3.18Å; V171-L175 PolarHBondContact O-N 3.14Å; V171-V176 HydrophobicContact CG1-CG2 4.5Å; V171-V176 PolarHBondContact O-N 3.04Å; V171-W237 HydrophobicContact CG2-CH2 3.72Å; V171-W237 HydrophobicContact CG2-CZ2 3.73Å
172L94Very high90.5Very high80 Ų8050.7 Ų50.742%0.41927%0.265SS..Iπ-helixtrans-60-50.8177.3-179.569.6000111.3L168 W169 G170 V176 L177L168-L172 PolarHBondContact O-N 2.95Å; W169-L172 WeakPolarHBondContact O-CB 3.48Å; W169-L172 PolarHBondContact O-N 3.27Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 2.97Å; L172-V176 HydrophobicContact CD1-CB 4.07Å; L172-V176 HydrophobicContact CD1-CG1 4.07Å; L172-V176 PolarHBondContact O-N 3.03Å; L172-L177 HydrophobicContact CD1-CG 4.32Å; L172-L177 HydrophobicContact CG-CD1 4.23Å; L172-L177 HydrophobicContact CG-CG 4.24Å; L172-L177 WeakPolarHBondContact O-CG 3.08Å; L172-L177 PolarHBondContact O-N 3.39Å
173V93.4Very high91.2Very high39 Ų3953.7 Ų53.724%0.23628%0.278CS..Iπ-helixtrans-72.8-32.9-174.8172.70000113.4W169 G170 P178W169-V173 HydrophobicContact CD2-CG2 4.03Å; W169-V173 HydrophobicContact CH2-CG2 4.22Å; W169-V173 HydrophobicContact CZ2-CG2 3.69Å; W169-V173 WeakPolarHBondContact O-CG2 3.23Å; W169-V173 PolarHBondContact O-N 2.65Å; G170-V173 PolarHBondContact O-N 3.24Å; V173-P178 WeakPolarHBondContact O-CD 3.36Å; V173-P178 WeakPolarHBondContact O-CG 2.96Å
174H93.6Very high91.8Very high8 Ų855.9 Ų55.94%0.03730%0.295CS..Iπ-helixtrans-104.2-19.1-173.4-58.995.5000114.4G170 L201 W230 G234G170-H174 VanDerWaalsContact O-CB 3.31Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.84Å; G170-H174 PolarHBondContact O-ND1 3.45Å; H174-L201 HydrophobicContact CB-CD1 3.65Å; H174-L201 VanDerWaalsContact O-CD1 3.31Å; H174-L201 WeakPolarHBondContact O-CD1 3.36Å; H174-W230 AromaticContact CD2-CD1 3.85Å; H174-W230 AromaticContact CD2-NE1 3.73Å; H174-G234 WeakPolarHBondContact CD2-CA 3.43Å; H174-G234 PolarHBondContact CD2-N 3.08Å; H174-G234 WeakPolarHBondContact NE2-CA 3.43Å; H174-G234 PolarHBondContact NE2-N 3.49Å
175L94.5Very high92.2Very high38 Ų3858 Ų5820%0.19930%0.3CS..Iπ-helixtrans-118.9-36.6178.8-66.8176.1000113.9V171 P179 L194 F198 L201V171-L175 HydrophobicContact CG1-CD1 4.43Å; V171-L175 WeakPolarHBondContact O-CA 3.27Å; V171-L175 WeakPolarHBondContact O-CB 3.18Å; V171-L175 PolarHBondContact O-N 3.14Å; L175-P179 WeakPolarHBondContact O-CD 3.37Å; L175-P179 WeakPolarHBondContact O-CG 3.25Å; L175-L194 HydrophobicContact CB-CD1 4.29Å; L175-L194 WeakPolarHBondContact O-CD1 3.2Å; L175-F198 HydrophobicContact CD2-CB 4.3Å; L175-L201 HydrophobicContact CD2-CD1 4.03Å
176V95.2Very high92.4Very high51 Ų5153.5 Ų53.531%0.30928%0.277SS..Iπ-helixtrans-92.7-41.3-172.3-179.90000112.7V171 L172 F180V171-V176 HydrophobicContact CG1-CG2 4.5Å; V171-V176 PolarHBondContact O-N 3.04Å; L172-V176 HydrophobicContact CD1-CB 4.07Å; L172-V176 HydrophobicContact CD1-CG1 4.07Å; L172-V176 PolarHBondContact O-N 3.03Å; V176-F180 VanDerWaalsContact O-CD2 3.3Å; V176-F180 WeakPolarHBondContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CE2 3.42Å
177L95.4Very high92.7Very high85 Ų8554.1 Ų54.145%0.44530%0.295SS..SBendtrans-77.4-42.2-179.6-67.5178.4000114.7L172 P179 F180L172-L177 HydrophobicContact CD1-CG 4.32Å; L172-L177 HydrophobicContact CG-CD1 4.23Å; L172-L177 HydrophobicContact CG-CG 4.24Å; L172-L177 WeakPolarHBondContact O-CG 3.08Å; L172-L177 PolarHBondContact O-N 3.39Å; L177-P179 VanDerWaalsContact C-CD 3.44Å; L177-F180 PolarHBondContact O-N 2.89Å; L177-F180 VanDerWaalsContact O-N 3.14Å
178P95.5Very high93.2Very high10 Ų1055 Ų557%0.06530%0.297CS..Hα-helixtrans-58.3-37.6-176.4-25.636.8000114.9V173 F180 V181 F182 W230V173-P178 WeakPolarHBondContact O-CD 3.36Å; V173-P178 WeakPolarHBondContact O-CG 2.96Å; P178-F180 PolarHBondContact O-N 2.92Å; P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.23Å; P178-V181 PolarHBondContact O-N 2.93Å; P178-F182 HydrophobicContact CB-CD2 4.17Å; P178-F182 HydrophobicContact CB-CE2 3.61Å; P178-F182 HydrophobicContact CB-CZ 4.39Å; P178-F182 WeakPolarHBondContact O-CD2 3.43Å; P178-F182 PolarHBondContact O-N 2.81Å; P178-W230 HydrophobicContact CB-CZ2 3.81Å; P178-W230 HydrophobicContact CG-CZ2 3.79Å
179P96Very high93.5Very high0 Ų052.9 Ų52.90%029%0.289CS..Hα-helixtrans-54.4-37.1175.6-28.436000113.7L175 L177 V181 F182 M183 Y190 L194L175-P179 WeakPolarHBondContact O-CD 3.37Å; L175-P179 WeakPolarHBondContact O-CG 3.25Å; L177-P179 VanDerWaalsContact C-CD 3.44Å; P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.49Å; P179-F182 PolarHBondContact O-N 2.93Å; P179-M183 VanDerWaalsContact O-CG 3.23Å; P179-M183 WeakPolarHBondContact O-CG 3.05Å; P179-M183 PolarHBondContact O-N 3.36Å; P179-Y190 HydrophobicContact CB-CD2 3.65Å; P179-Y190 HydrophobicContact CB-CE2 3.6Å; P179-Y190 HydrophobicContact CB-CG 4.28Å; P179-Y190 HydrophobicContact CG-CE2 4.23Å; P179-L194 HydrophobicContact CG-CB 3.93Å; P179-L194 HydrophobicContact CG-CD1 4.37Å
180F95.8Very high93.9Very high114 Ų11450 Ų5050%0.528%0.279SS..Hα-helixtrans-66-35.1175.8-64.7-72.8000112.6V176 L177 P178 M183 S184 Y190V176-F180 VanDerWaalsContact O-CD2 3.3Å; V176-F180 WeakPolarHBondContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CE2 3.42Å; L177-F180 PolarHBondContact O-N 2.89Å; L177-F180 VanDerWaalsContact O-N 3.14Å; P178-F180 PolarHBondContact O-N 2.92Å; F180-M183 HydrophobicContact CD1-SD 4.31Å; F180-S184 PolarHBondContact O-N 3.28Å; F180-Y190 HydrophobicContact CD1-CD2 4.21Å; F180-Y190 HydrophobicContact CD1-CE2 4.31Å; F180-Y190 HydrophobicContact CD2-CE2 4.02Å; F180-Y190 AromaticContact CE1-CD2 3.93Å; F180-Y190 HydrophobicContact CE1-CD2 3.93Å; F180-Y190 AromaticContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE2-CD2 4.39Å; F180-Y190 AromaticContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CG-CE2 4.37Å; F180-Y190 HydrophobicContact CZ-CD2 4.03Å; F180-Y190 AromaticContact CZ-CE2 3.51Å; F180-Y190 HydrophobicContact CZ-CE2 3.51Å
181V93.9Very high94.1Very high74 Ų7456.1 Ų56.145%0.44831%0.31SS..Hα-helixtrans-66.9-47.5174.5-178.50000109.6P178 P179 M183 S184 Q185P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.23Å; P178-V181 PolarHBondContact O-N 2.93Å; P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.49Å; V181-M183 VanDerWaalsContact C-N 3.32Å; V181-M183 PolarHBondContact O-N 3.4Å; V181-S184 PolarHBondContact O-N 2.88Å; V181-S184 PolarHBondContact O-OG 2.92Å; V181-Q185 HydrophobicContact CG1-CG 4.21Å; V181-Q185 WeakPolarHBondContact O-CG 3.43Å; V181-Q185 PolarHBondContact O-N 3.25Å
182F94.3Very high94.3Very high6 Ų657.2 Ų57.23%0.02631%0.311CS..Hα-helixtrans-63.3-34.8177.8-61.2-53.5000112.7P178 P179 S184 Q185 E186 G187 W188 F196 A211 Y223 V227 W230P178-F182 HydrophobicContact CB-CD2 4.17Å; P178-F182 HydrophobicContact CB-CE2 3.61Å; P178-F182 HydrophobicContact CB-CZ 4.39Å; P178-F182 WeakPolarHBondContact O-CD2 3.43Å; P178-F182 PolarHBondContact O-N 2.81Å; P179-F182 PolarHBondContact O-N 2.93Å; F182-S184 VanDerWaalsContact C-N 3.27Å; F182-S184 PolarHBondContact O-N 2.89Å; F182-Q185 PolarHBondContact O-N 3.24Å; F182-E186 HydrophobicContact CB-CG 4.43Å; F182-E186 HydrophobicContact CD1-CG 4.06Å; F182-E186 CarbonylContact O-C 3.56Å; F182-E186 VanDerWaalsContact O-CA 3.29Å; F182-E186 WeakPolarHBondContact O-CA 3.36Å; F182-E186 VanDerWaalsContact O-CB 3.25Å; F182-E186 WeakPolarHBondContact O-CB 3.35Å; F182-E186 PolarHBondContact O-N 2.85Å; F182-G187 PolarHBondContact O-N 2.97Å; F182-W188 HydrophobicContact CB-CE3 3.76Å; F182-W188 HydrophobicContact CB-CZ3 4.2Å; F182-W188 HydrophobicContact CD1-CZ3 4.2Å; F182-W188 HydrophobicContact CG-CE3 4.16Å; F182-W188 HydrophobicContact CG-CZ3 4.09Å; F182-F196 HydrophobicContact CD2-CD1 4.08Å; F182-F196 HydrophobicContact CE1-CD1 4.36Å; F182-F196 AromaticContact CE1-CE1 3.95Å; F182-F196 HydrophobicContact CE1-CE1 3.95Å; F182-F196 AromaticContact CE2-CD1 3.65Å; F182-F196 HydrophobicContact CE2-CD1 3.65Å; F182-F196 AromaticContact CE2-CE1 3.82Å; F182-F196 HydrophobicContact CE2-CE1 3.82Å; F182-F196 AromaticContact CZ-CD1 3.84Å; F182-F196 HydrophobicContact CZ-CD1 3.84Å; F182-F196 AromaticContact CZ-CE1 3.5Å; F182-F196 HydrophobicContact CZ-CE1 3.5Å; F182-F196 VanDerWaalsContact CZ-CE1 3.5Å; F182-A211 HydrophobicContact CD1-CB 4.32Å; F182-A211 HydrophobicContact CE1-CB 3.86Å; F182-Y223 WeakPolarHBondContact CD1-OH 3.39Å; F182-Y223 WeakPolarHBondContact CE1-OH 3.34Å; F182-V227 HydrophobicContact CE1-CG2 4.3Å; F182-W230 HydrophobicContact CE2-CH2 4.03Å; F182-W230 HydrophobicContact CE2-CZ2 4.49Å; F182-W230 HydrophobicContact CE2-CZ3 4.34Å; F182-W230 HydrophobicContact CZ-CE3 4.35Å; F182-W230 HydrophobicContact CZ-CH2 4.04Å; F182-W230 AromaticContact CZ-CZ3 3.86Å; F182-W230 HydrophobicContact CZ-CZ3 3.86Å
183M94.3Very high94.4Very high81 Ų8153.4 Ų53.440%0.39929%0.291SS..Hα-helixtrans-58.3-40.7171.5-72.9176.372.600112.1P179 F180 V181 G187 W188 Y190P179-M183 VanDerWaalsContact O-CG 3.23Å; P179-M183 WeakPolarHBondContact O-CG 3.05Å; P179-M183 PolarHBondContact O-N 3.36Å; F180-M183 HydrophobicContact CD1-SD 4.31Å; V181-M183 VanDerWaalsContact C-N 3.32Å; V181-M183 PolarHBondContact O-N 3.4Å; M183-G187 WeakPolarHBondContact O-CA 3.47Å; M183-G187 PolarHBondContact O-N 3.28Å; M183-W188 WeakPolarHBondContact CA-O 3.45Å; M183-W188 VanDerWaalsContact CG-O 3.25Å; M183-W188 WeakPolarHBondContact CG-O 3.47Å; M183-Y190 HydrophobicContact SD-CD2 4Å; M183-Y190 HydrophobicContact SD-CG 4.34Å
184S90.9Very high94.6Very high80 Ų8054.6 Ų54.656%0.55930%0.296SS*.Hα-helixtrans-76.5-39-179.473.60000113.8F180 V181 F182F180-S184 PolarHBondContact O-N 3.28Å; V181-S184 PolarHBondContact O-N 2.88Å; V181-S184 PolarHBondContact O-OG 2.92Å; F182-S184 VanDerWaalsContact C-N 3.27Å; F182-S184 PolarHBondContact O-N 2.89Å
185Q90.8Very high94.7Very high76 Ų7658.2 Ų58.236%0.35531%0.31SS..Hα-helixtrans-93-45.5-173.5-58.8-56.7-47.400112V181 F182 Y223V181-Q185 HydrophobicContact CG1-CG 4.21Å; V181-Q185 WeakPolarHBondContact O-CG 3.43Å; V181-Q185 PolarHBondContact O-N 3.25Å; F182-Q185 PolarHBondContact O-N 3.24Å; Q185-Y223 HydrophobicContact CB-CE2 4Å; Q185-Y223 HydrophobicContact CG-CD2 4.4Å; Q185-Y223 HydrophobicContact CG-CE2 3.86Å
186E90.8Very high94.8Very high5 Ų556.6 Ų56.62%0.02330%0.301CS..THydrogen-bonded Turntrans-94.3-7.4-176.1-58.9-64.317300113.1F182 W188 A211 G212 K217 Y219 Y223F182-E186 HydrophobicContact CB-CG 4.43Å; F182-E186 HydrophobicContact CD1-CG 4.06Å; F182-E186 CarbonylContact O-C 3.56Å; F182-E186 VanDerWaalsContact O-CA 3.29Å; F182-E186 WeakPolarHBondContact O-CA 3.36Å; F182-E186 VanDerWaalsContact O-CB 3.25Å; F182-E186 WeakPolarHBondContact O-CB 3.35Å; F182-E186 PolarHBondContact O-N 2.85Å; E186-W188 HydrophobicContact CB-CB 4.49Å; E186-W188 HydrophobicContact CB-CD2 3.49Å; E186-W188 VanDerWaalsContact CB-CD2 3.49Å; E186-W188 HydrophobicContact CB-CE3 4Å; E186-W188 HydrophobicContact CB-CG 3.71Å; E186-W188 HydrophobicContact CB-CH2 4.45Å; E186-W188 HydrophobicContact CB-CZ2 4.02Å; E186-W188 HydrophobicContact CB-CZ3 4.44Å; E186-W188 HydrophobicContact CG-CD2 4.12Å; E186-W188 HydrophobicContact CG-CE3 4.21Å; E186-W188 HydrophobicContact CG-CH2 4.06Å; E186-W188 HydrophobicContact CG-CZ2 3.97Å; E186-W188 HydrophobicContact CG-CZ3 4.18Å; E186-W188 PolarHBondContact O-N 3.36Å; E186-W188 VanDerWaalsContact O-N 3.12Å; E186-A211 VanDerWaalsContact OE1-CA 3.23Å; E186-A211 WeakPolarHBondContact OE1-CA 3.34Å; E186-G212 PolarHBondContact OE1-N 3.32Å; E186-K217 PolarHBondContact O-NZ 3.23Å; E186-Y219 WeakPolarHBondContact OE1-CE1 3.33Å; E186-Y219 WeakPolarHBondContact OE2-CE1 3.33Å; E186-Y219 PolarHBondContact OE2-OH 3.02Å; E186-Y223 VanDerWaalsContact OE1-CE1 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y223 PolarHBondContact OE1-OH 3.08Å
187G91.6Very high94.9Very high56 Ų5654.1 Ų54.158%0.57729%0.287SS*.  trans61.816-177.700000113.7F182 M183F182-G187 PolarHBondContact O-N 2.97Å; M183-G187 WeakPolarHBondContact O-CA 3.47Å; M183-G187 PolarHBondContact O-N 3.28Å
188W95Very high94.9Very high39 Ų3955.3 Ų55.315%0.14829%0.288CS..  trans-71.9159.4175.8-63.4-17.6000110.7F182 M183 E186 E192 F196 L209 A211F182-W188 HydrophobicContact CB-CE3 3.76Å; F182-W188 HydrophobicContact CB-CZ3 4.2Å; F182-W188 HydrophobicContact CD1-CZ3 4.2Å; F182-W188 HydrophobicContact CG-CE3 4.16Å; F182-W188 HydrophobicContact CG-CZ3 4.09Å; M183-W188 WeakPolarHBondContact CA-O 3.45Å; M183-W188 VanDerWaalsContact CG-O 3.25Å; M183-W188 WeakPolarHBondContact CG-O 3.47Å; E186-W188 HydrophobicContact CB-CB 4.49Å; E186-W188 HydrophobicContact CB-CD2 3.49Å; E186-W188 VanDerWaalsContact CB-CD2 3.49Å; E186-W188 HydrophobicContact CB-CE3 4Å; E186-W188 HydrophobicContact CB-CG 3.71Å; E186-W188 HydrophobicContact CB-CH2 4.45Å; E186-W188 HydrophobicContact CB-CZ2 4.02Å; E186-W188 HydrophobicContact CB-CZ3 4.44Å; E186-W188 HydrophobicContact CG-CD2 4.12Å; E186-W188 HydrophobicContact CG-CE3 4.21Å; E186-W188 HydrophobicContact CG-CH2 4.06Å; E186-W188 HydrophobicContact CG-CZ2 3.97Å; E186-W188 HydrophobicContact CG-CZ3 4.18Å; E186-W188 PolarHBondContact O-N 3.36Å; E186-W188 VanDerWaalsContact O-N 3.12Å; W188-E192 HydrophobicContact CB-CB 3.98Å; W188-E192 HydrophobicContact CG-CB 4.44Å; W188-F196 HydrophobicContact CE3-CB 4.45Å; W188-F196 HydrophobicContact CH2-CD1 4.34Å; W188-F196 HydrophobicContact CH2-CD2 4.15Å; W188-F196 HydrophobicContact CH2-CE2 4.48Å; W188-F196 HydrophobicContact CH2-CG 4.06Å; W188-F196 HydrophobicContact CZ3-CB 3.84Å; W188-F196 AromaticContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD2 4.17Å; W188-F196 HydrophobicContact CZ3-CE1 4.35Å; W188-F196 AromaticContact CZ3-CG 3.62Å; W188-F196 HydrophobicContact CZ3-CG 3.62Å; W188-L209 HydrophobicContact CH2-CB 4Å; W188-L209 HydrophobicContact CZ2-CB 4.06Å; W188-L209 HydrophobicContact CZ2-CD2 4.18Å; W188-L209 HydrophobicContact CZ3-CB 4.49Å; W188-A211 HydrophobicContact CH2-CB 4.24Å
189T96.8Very high94.9Very high76 Ų7655 Ų5547%0.46629%0.286SS..  trans-70.4160.516565.20000110.6I191 E192 G193T189-I191 PolarHBondContact O-N 3.36Å; T189-E192 WeakPolarHBondContact CB-OE2 3.38Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T189-E192 PolarHBondContact N-OE2 3.29Å; T189-E192 PolarHBondContact O-N 3.45Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.31Å; T189-E192 PolarHBondContact OG1-N 2.91Å; T189-E192 PolarHBondContact OG1-OE2 3.45Å; T189-G193 PolarHBondContact O-N 2.89Å
190Y96.4Very high94.9Very high74 Ų7455 Ų5529%0.2929%0.286SS..Hα-helixtrans-56.9-37.9176.1-177.2-92.9000112.2P179 F180 M183 G193 L194P179-Y190 HydrophobicContact CB-CD2 3.65Å; P179-Y190 HydrophobicContact CB-CE2 3.6Å; P179-Y190 HydrophobicContact CB-CG 4.28Å; P179-Y190 HydrophobicContact CG-CE2 4.23Å; F180-Y190 HydrophobicContact CD1-CD2 4.21Å; F180-Y190 HydrophobicContact CD1-CE2 4.31Å; F180-Y190 HydrophobicContact CD2-CE2 4.02Å; F180-Y190 AromaticContact CE1-CD2 3.93Å; F180-Y190 HydrophobicContact CE1-CD2 3.93Å; F180-Y190 AromaticContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE2-CD2 4.39Å; F180-Y190 AromaticContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CG-CE2 4.37Å; F180-Y190 HydrophobicContact CZ-CD2 4.03Å; F180-Y190 AromaticContact CZ-CE2 3.51Å; F180-Y190 HydrophobicContact CZ-CE2 3.51Å; M183-Y190 HydrophobicContact SD-CD2 4Å; M183-Y190 HydrophobicContact SD-CG 4.34Å; Y190-G193 PolarHBondContact O-N 3.46Å; Y190-L194 HydrophobicContact CE1-CB 4.49Å; Y190-L194 HydrophobicContact CE1-CD2 4.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 PolarHBondContact O-N 3.29Å
191I96.6Very high94.8Very high130 Ų13049.8 Ų49.867%0.66726%0.264SS*.Hα-helixtrans-68.7-44-178.2-60.6178.1000110.4T189 L194 Y195T189-I191 PolarHBondContact O-N 3.36Å; I191-L194 PolarHBondContact O-N 3.41Å; I191-Y195 VanDerWaalsContact O-CB 3.26Å; I191-Y195 WeakPolarHBondContact O-CB 3.18Å; I191-Y195 PolarHBondContact O-N 2.83Å
192E96.2Very high94.8Very high79 Ų7948.2 Ų48.237%0.36925%0.254SS..Hα-helixtrans-61.1-44174.7-73.9163.3155.300111.5W188 T189 L194 Y195 F196 L209W188-E192 HydrophobicContact CB-CB 3.98Å; W188-E192 HydrophobicContact CG-CB 4.44Å; T189-E192 WeakPolarHBondContact CB-OE2 3.38Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T189-E192 PolarHBondContact N-OE2 3.29Å; T189-E192 PolarHBondContact O-N 3.45Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.31Å; T189-E192 PolarHBondContact OG1-N 2.91Å; T189-E192 PolarHBondContact OG1-OE2 3.45Å; E192-L194 VanDerWaalsContact C-N 3.35Å; E192-L194 PolarHBondContact O-N 3.14Å; E192-Y195 PolarHBondContact O-N 3.47Å; E192-F196 WeakPolarHBondContact O-CB 3.35Å; E192-F196 PolarHBondContact O-N 2.8Å; E192-L209 HydrophobicContact CB-CD1 3.87Å; E192-L209 HydrophobicContact CG-CD1 4.31Å
193G96.3Very high94.8Very high0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-62.9-38.8175.200000113.2T189 Y190 S197T189-G193 PolarHBondContact O-N 2.89Å; Y190-G193 PolarHBondContact O-N 3.46Å; G193-S197 WeakPolarHBondContact O-CB 3.42Å; G193-S197 PolarHBondContact O-N 3Å; G193-S197 PolarHBondContact O-OG 3.27Å
194L96.9Very high94.8Very high64 Ų6450.1 Ų50.134%0.33527%0.267SS..Hα-helixtrans-68.7-43.4175.8178.163.9000111.6L175 P179 Y190 I191 E192 S197 F198L175-L194 HydrophobicContact CB-CD1 4.29Å; L175-L194 WeakPolarHBondContact O-CD1 3.2Å; P179-L194 HydrophobicContact CG-CB 3.93Å; P179-L194 HydrophobicContact CG-CD1 4.37Å; Y190-L194 HydrophobicContact CE1-CB 4.49Å; Y190-L194 HydrophobicContact CE1-CD2 4.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 PolarHBondContact O-N 3.29Å; I191-L194 PolarHBondContact O-N 3.41Å; E192-L194 VanDerWaalsContact C-N 3.35Å; E192-L194 PolarHBondContact O-N 3.14Å; L194-S197 PolarHBondContact O-N 3.26Å; L194-F198 WeakPolarHBondContact O-CB 3.32Å; L194-F198 PolarHBondContact O-N 3.42Å
195Y96.8Very high95Very high85 Ų8546.5 Ų46.533%0.33324%0.243SC..Hα-helixtrans-59.9-49.9175.2166.4-98.3000110.9I191 E192 S197 F198 V199 F206 D208 L209I191-Y195 VanDerWaalsContact O-CB 3.26Å; I191-Y195 WeakPolarHBondContact O-CB 3.18Å; I191-Y195 PolarHBondContact O-N 2.83Å; E192-Y195 PolarHBondContact O-N 3.47Å; Y195-S197 VanDerWaalsContact C-N 3.32Å; Y195-S197 PolarHBondContact O-N 3.4Å; Y195-F198 PolarHBondContact O-N 2.87Å; Y195-V199 HydrophobicContact CD2-CG2 3.89Å; Y195-V199 HydrophobicContact CE1-CG2 4.27Å; Y195-V199 HydrophobicContact CE2-CG2 3.59Å; Y195-V199 HydrophobicContact CG-CG2 4.36Å; Y195-V199 WeakPolarHBondContact O-CB 3.3Å; Y195-V199 VanDerWaalsContact O-CG2 3.3Å; Y195-V199 WeakPolarHBondContact O-CG2 3.38Å; Y195-V199 PolarHBondContact O-N 2.94Å; Y195-F206 WeakPolarHBondContact OH-CD2 3.33Å; Y195-D208 WeakPolarHBondContact CE1-OD2 3.49Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.31Å; Y195-D208 PolarHBondContact OH-OD2 3.28Å; Y195-L209 HydrophobicContact CD1-CD1 3.97Å; Y195-L209 HydrophobicContact CE1-CD1 4.36Å
196F96.3Very high95.1Very high3 Ų349 Ų491%0.01325%0.253CS..Hα-helixtrans-56.1-45.7174.4170.3-103.2000111.9Y101 F182 W188 E192 F198 V199 T200 L209 A211 W230Y101-F196 HydrophobicContact CE1-CE2 4.12Å; Y101-F196 WeakPolarHBondContact OH-CE2 3.43Å; F182-F196 HydrophobicContact CD2-CD1 4.08Å; F182-F196 HydrophobicContact CE1-CD1 4.36Å; F182-F196 AromaticContact CE1-CE1 3.95Å; F182-F196 HydrophobicContact CE1-CE1 3.95Å; F182-F196 AromaticContact CE2-CD1 3.65Å; F182-F196 HydrophobicContact CE2-CD1 3.65Å; F182-F196 AromaticContact CE2-CE1 3.82Å; F182-F196 HydrophobicContact CE2-CE1 3.82Å; F182-F196 AromaticContact CZ-CD1 3.84Å; F182-F196 HydrophobicContact CZ-CD1 3.84Å; F182-F196 AromaticContact CZ-CE1 3.5Å; F182-F196 HydrophobicContact CZ-CE1 3.5Å; F182-F196 VanDerWaalsContact CZ-CE1 3.5Å; W188-F196 HydrophobicContact CE3-CB 4.45Å; W188-F196 HydrophobicContact CH2-CD1 4.34Å; W188-F196 HydrophobicContact CH2-CD2 4.15Å; W188-F196 HydrophobicContact CH2-CE2 4.48Å; W188-F196 HydrophobicContact CH2-CG 4.06Å; W188-F196 HydrophobicContact CZ3-CB 3.84Å; W188-F196 AromaticContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD2 4.17Å; W188-F196 HydrophobicContact CZ3-CE1 4.35Å; W188-F196 AromaticContact CZ3-CG 3.62Å; W188-F196 HydrophobicContact CZ3-CG 3.62Å; E192-F196 WeakPolarHBondContact O-CB 3.35Å; E192-F196 PolarHBondContact O-N 2.8Å; F196-F198 PolarHBondContact O-N 3.08Å; F196-V199 PolarHBondContact O-N 3.26Å; F196-T200 VanDerWaalsContact CE2-OG1 3.24Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.34Å; F196-T200 WeakPolarHBondContact O-CB 3.4Å; F196-T200 PolarHBondContact O-N 2.99Å; F196-T200 PolarHBondContact O-OG1 2.83Å; F196-L209 HydrophobicContact CB-CB 4.34Å; F196-L209 HydrophobicContact CB-CD1 4.36Å; F196-L209 HydrophobicContact CD2-CB 4.07Å; F196-L209 WeakPolarHBondContact CD2-O 3.36Å; F196-L209 VanDerWaalsContact CE2-O 3.32Å; F196-L209 WeakPolarHBondContact CE2-O 3.39Å; F196-A211 HydrophobicContact CE1-CB 4.17Å; F196-A211 HydrophobicContact CZ-CB 3.99Å; F196-W230 HydrophobicContact CE1-CH2 4.2Å; F196-W230 AromaticContact CE1-CZ3 3.97Å; F196-W230 HydrophobicContact CE1-CZ3 3.97Å
197S96.2Very high95.1Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-62.1-44.8179.5-57.80000111.7G193 L194 Y195 L201G193-S197 WeakPolarHBondContact O-CB 3.42Å; G193-S197 PolarHBondContact O-N 3Å; G193-S197 PolarHBondContact O-OG 3.27Å; L194-S197 PolarHBondContact O-N 3.26Å; Y195-S197 VanDerWaalsContact C-N 3.32Å; Y195-S197 PolarHBondContact O-N 3.4Å; S197-L201 VanDerWaalsContact O-CB 3.3Å; S197-L201 WeakPolarHBondContact O-CB 3.15Å; S197-L201 WeakPolarHBondContact O-CD1 3.36Å; S197-L201 WeakPolarHBondContact O-CG 3.08Å; S197-L201 PolarHBondContact O-N 3.15Å
198F95.7Very high95.1Very high109 Ų10951.4 Ų51.448%0.47826%0.257SS..Hα-helixtrans-65.2-51177.2176.2-98.3000112.1L175 L194 Y195 F196 T200 L201 T202 I204L175-F198 HydrophobicContact CD2-CB 4.3Å; L194-F198 WeakPolarHBondContact O-CB 3.32Å; L194-F198 PolarHBondContact O-N 3.42Å; Y195-F198 PolarHBondContact O-N 2.87Å; F196-F198 PolarHBondContact O-N 3.08Å; F198-T200 VanDerWaalsContact C-N 3.32Å; F198-T200 PolarHBondContact O-N 3.01Å; F198-L201 PolarHBondContact O-N 2.94Å; F198-T202 HydrophobicContact CD2-CG2 3.94Å; F198-T202 HydrophobicContact CE1-CG2 4.34Å; F198-T202 HydrophobicContact CE2-CG2 3.62Å; F198-T202 HydrophobicContact CG-CG2 4.44Å; F198-T202 HydrophobicContact CZ-CG2 3.84Å; F198-T202 WeakPolarHBondContact O-CB 3.32Å; F198-T202 WeakPolarHBondContact O-CG2 3.32Å; F198-T202 PolarHBondContact O-N 3.5Å; F198-T202 PolarHBondContact O-OG1 2.96Å; F198-I204 HydrophobicContact CE1-CD1 4.27Å
199V95.9Very high94.9Very high4 Ų451 Ų512%0.02426%0.257CS..Hα-helixtrans-61.4-39.9-178167.40000111.7Y195 F196 T202 I204 G205 F206Y195-V199 HydrophobicContact CD2-CG2 3.89Å; Y195-V199 HydrophobicContact CE1-CG2 4.27Å; Y195-V199 HydrophobicContact CE2-CG2 3.59Å; Y195-V199 HydrophobicContact CG-CG2 4.36Å; Y195-V199 WeakPolarHBondContact O-CB 3.3Å; Y195-V199 VanDerWaalsContact O-CG2 3.3Å; Y195-V199 WeakPolarHBondContact O-CG2 3.38Å; Y195-V199 PolarHBondContact O-N 2.94Å; F196-V199 PolarHBondContact O-N 3.26Å; V199-T202 PolarHBondContact O-OG1 3.45Å; V199-I204 HydrophobicContact CG1-CB 4.1Å; V199-I204 HydrophobicContact CG1-CG2 4.24Å; V199-I204 PolarHBondContact O-N 3.42Å; V199-G205 PolarHBondContact O-N 2.95Å; V199-F206 HydrophobicContact CG1-CB 4.44Å; V199-F206 HydrophobicContact CG1-CD2 3.8Å; V199-F206 HydrophobicContact CG1-CG 4.38Å; V199-F206 HydrophobicContact CG2-CD2 3.99Å; V199-F206 HydrophobicContact CG2-CE2 4.19Å
200T95.4Very high94.7Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-68.1-51.6177.4-63.90000111.4I99 Y101 F196 F198 T202 T203 I231I99-T200 HydrophobicContact CD1-CG2 4.24Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.46Å; Y101-T200 PolarHBondContact OH-OG1 3.22Å; F196-T200 VanDerWaalsContact CE2-OG1 3.24Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.34Å; F196-T200 WeakPolarHBondContact O-CB 3.4Å; F196-T200 PolarHBondContact O-N 2.99Å; F196-T200 PolarHBondContact O-OG1 2.83Å; F198-T200 VanDerWaalsContact C-N 3.32Å; F198-T200 PolarHBondContact O-N 3.01Å; T200-T202 VanDerWaalsContact C-N 3.33Å; T200-T202 PolarHBondContact O-N 3Å; T200-T203 PolarHBondContact O-N 3.47Å; T200-I231 HydrophobicContact CG2-CD1 3.68Å; T200-I231 HydrophobicContact CG2-CG1 3.71Å; T200-I231 HydrophobicContact CG2-CG2 4.3Å
201L93.8Very high94.4Very high5 Ų545.4 Ų45.43%0.02623%0.232CC..Hα-helixtrans-70.7-30.2-174.9-68.2173.1000113H174 L175 S197 F198 T203 W230 L235 L238H174-L201 HydrophobicContact CB-CD1 3.65Å; H174-L201 VanDerWaalsContact O-CD1 3.31Å; H174-L201 WeakPolarHBondContact O-CD1 3.36Å; L175-L201 HydrophobicContact CD2-CD1 4.03Å; S197-L201 VanDerWaalsContact O-CB 3.3Å; S197-L201 WeakPolarHBondContact O-CB 3.15Å; S197-L201 WeakPolarHBondContact O-CD1 3.36Å; S197-L201 WeakPolarHBondContact O-CG 3.08Å; S197-L201 PolarHBondContact O-N 3.15Å; F198-L201 PolarHBondContact O-N 2.94Å; L201-T203 PolarHBondContact O-N 2.93Å; L201-W230 HydrophobicContact CD1-CZ2 4.17Å; L201-W230 HydrophobicContact CG-CZ2 4.44Å; L201-L235 WeakPolarHBondContact O-CD2 3.42Å; L201-L238 WeakPolarHBondContact O-CD2 3.26Å
202T93.4Very high93.9Very high41 Ų4139.3 Ų39.325%0.25220%0.201SC..THydrogen-bonded Turntrans-805.5173.555.90000113.5F198 V199 T200 I204F198-T202 HydrophobicContact CD2-CG2 3.94Å; F198-T202 HydrophobicContact CE1-CG2 4.34Å; F198-T202 HydrophobicContact CE2-CG2 3.62Å; F198-T202 HydrophobicContact CG-CG2 4.44Å; F198-T202 HydrophobicContact CZ-CG2 3.84Å; F198-T202 WeakPolarHBondContact O-CB 3.32Å; F198-T202 WeakPolarHBondContact O-CG2 3.32Å; F198-T202 PolarHBondContact O-N 3.5Å; F198-T202 PolarHBondContact O-OG1 2.96Å; V199-T202 PolarHBondContact O-OG1 3.45Å; T200-T202 VanDerWaalsContact C-N 3.33Å; T200-T202 PolarHBondContact O-N 3Å; T202-I204 PolarHBondContact O-N 3.29Å; T202-I204 WeakPolarHBondContact OG1-CD1 3.31Å; T202-I204 WeakPolarHBondContact OG1-CG1 3.49Å
203T94.4Very high93.2Very high49 Ų4937 Ų3730%0.30119%0.192SC..THydrogen-bonded Turntrans52.935.4-179.269.50000112.5I99 T200 L201 L235I99-T203 HydrophobicContact CG1-CG2 4.07Å; T200-T203 PolarHBondContact O-N 3.47Å; L201-T203 PolarHBondContact O-N 2.93Å; T203-L235 HydrophobicContact CG2-CD2 3.54Å
204I95.7Very high92.5Very high77 Ų7741 Ų4140%0.39521%0.211SC..  trans-82.3-47.2171.8-65.2172.9000109.3F198 V199 T202 F206F198-I204 HydrophobicContact CE1-CD1 4.27Å; V199-I204 HydrophobicContact CG1-CB 4.1Å; V199-I204 HydrophobicContact CG1-CG2 4.24Å; V199-I204 PolarHBondContact O-N 3.42Å; T202-I204 PolarHBondContact O-N 3.29Å; T202-I204 WeakPolarHBondContact OG1-CD1 3.31Å; T202-I204 WeakPolarHBondContact OG1-CG1 3.49Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.91Å; I204-F206 HydrophobicContact CG2-CE1 3.73Å; I204-F206 HydrophobicContact CG2-CE2 3.58Å; I204-F206 HydrophobicContact CG2-CG 4.15Å; I204-F206 HydrophobicContact CG2-CZ 3.49Å; I204-F206 VanDerWaalsContact CG2-CZ 3.49Å
205G94.4Very high91.4Very high5 Ų540 Ų405%0.05221%0.208CC..  trans52.760171.100000115.8I99 Y101 V199 G207I99-G205 WeakPolarHBondContact O-CA 3.44Å; Y101-G205 VanDerWaalsContact CA-O 3.3Å; Y101-G205 WeakPolarHBondContact CA-O 3.44Å; V199-G205 PolarHBondContact O-N 2.95Å; G205-G207 PolarHBondContact O-N 3.46Å
206F92.8Very high90.3Very high129 Ų12941.3 Ų41.357%0.56622%0.221SC*.  trans-62.1-29.1177.5-67.9-58000114.3Y101 Y195 V199 I204 D208Y101-F206 CarbonylContact O-C 3.51Å; Y195-F206 WeakPolarHBondContact OH-CD2 3.33Å; V199-F206 HydrophobicContact CG1-CB 4.44Å; V199-F206 HydrophobicContact CG1-CD2 3.8Å; V199-F206 HydrophobicContact CG1-CG 4.38Å; V199-F206 HydrophobicContact CG2-CD2 3.99Å; V199-F206 HydrophobicContact CG2-CE2 4.19Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.91Å; I204-F206 HydrophobicContact CG2-CE1 3.73Å; I204-F206 HydrophobicContact CG2-CE2 3.58Å; I204-F206 HydrophobicContact CG2-CG 4.15Å; I204-F206 HydrophobicContact CG2-CZ 3.49Å; I204-F206 VanDerWaalsContact CG2-CZ 3.49Å; F206-D208 PolarHBondContact O-N 2.83Å
207G90.4Very high89.6Confident17 Ų1745.1 Ų45.118%0.17524%0.237CC..  trans749.1178.800000115.9Y101 G205 L209Y101-G207 WeakPolarHBondContact O-CA 3.4Å; Y101-G207 PolarHBondContact O-N 3.02Å; G205-G207 PolarHBondContact O-N 3.46Å; G207-L209 VanDerWaalsContact C-N 3.32Å
208D90.9Very high88.8Confident93 Ų9354.6 Ų54.650%0.49728%0.281SS..SBendtrans-63-38.7166.454.4-13.1000111.9Y195 F206Y195-D208 WeakPolarHBondContact CE1-OD2 3.49Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.31Å; Y195-D208 PolarHBondContact OH-OD2 3.28Å; F206-D208 PolarHBondContact O-N 2.83Å
209L92.4Very high88.3Confident32 Ų3251.6 Ų51.617%0.16827%0.267CS..SBendtrans-120.2126.5171.4-62.4179.2000110.1W188 E192 Y195 F196 G207W188-L209 HydrophobicContact CH2-CB 4Å; W188-L209 HydrophobicContact CZ2-CB 4.06Å; W188-L209 HydrophobicContact CZ2-CD2 4.18Å; W188-L209 HydrophobicContact CZ3-CB 4.49Å; E192-L209 HydrophobicContact CB-CD1 3.87Å; E192-L209 HydrophobicContact CG-CD1 4.31Å; Y195-L209 HydrophobicContact CD1-CD1 3.97Å; Y195-L209 HydrophobicContact CE1-CD1 4.36Å; F196-L209 HydrophobicContact CB-CB 4.34Å; F196-L209 HydrophobicContact CB-CD1 4.36Å; F196-L209 HydrophobicContact CD2-CB 4.07Å; F196-L209 WeakPolarHBondContact CD2-O 3.36Å; F196-L209 VanDerWaalsContact CE2-O 3.32Å; F196-L209 WeakPolarHBondContact CE2-O 3.39Å; G207-L209 VanDerWaalsContact C-N 3.32Å
210V91.1Very high87.9Confident22 Ų2254.9 Ų54.913%0.13329%0.289CS..  trans-138129.8175.6-177.70000108.6Y101 N103 V213Y101-V210 HydrophobicContact CD1-CG2 4.14Å; Y101-V210 HydrophobicContact CD2-CG1 4.34Å; Y101-V210 HydrophobicContact CD2-CG2 4.3Å; Y101-V210 HydrophobicContact CE2-CG1 4.42Å; Y101-V210 HydrophobicContact CG-CG2 3.96Å; N103-V210 HydrophobicContact CB-CG2 4.38Å; V210-V213 HydrophobicContact CB-CG2 3.73Å; V210-V213 HydrophobicContact CG1-CG1 3.8Å; V210-V213 HydrophobicContact CG1-CG2 3.89Å; V210-V213 WeakPolarHBondContact O-CG2 3.39Å
211A91.4Very high87.2Confident10 Ų1061 Ų618%0.08333%0.326CS..THydrogen-bonded Turntrans-78.6137-178.700000112F182 E186 W188 F196 Y223 V227F182-A211 HydrophobicContact CD1-CB 4.32Å; F182-A211 HydrophobicContact CE1-CB 3.86Å; E186-A211 VanDerWaalsContact OE1-CA 3.23Å; E186-A211 WeakPolarHBondContact OE1-CA 3.34Å; W188-A211 HydrophobicContact CH2-CB 4.24Å; F196-A211 HydrophobicContact CE1-CB 4.17Å; F196-A211 HydrophobicContact CZ-CB 3.99Å; A211-Y223 HydrophobicContact CB-CE1 4.42Å; A211-V227 HydrophobicContact CB-CG1 4.18Å; A211-V227 HydrophobicContact CB-CG2 4.3Å
212G85.9Confident86.8Confident2 Ų265.5 Ų65.52%0.02135%0.35CS..THydrogen-bonded Turntrans78.220.717100000115.3E186 R224E186-G212 PolarHBondContact OE1-N 3.32Å; G212-R224 WeakPolarHBondContact O-CD 3.37Å; G212-R224 VanDerWaalsContact O-CZ 3.31Å; G212-R224 PolarHBondContact O-NE 2.96Å
213V81.7Confident86.7Confident29 Ų2964.4 Ų64.418%0.17634%0.341CS..  trans-115.7-4.3-178.8-60.30000114.4V210 P215V210-V213 HydrophobicContact CB-CG2 3.73Å; V210-V213 HydrophobicContact CG1-CG1 3.8Å; V210-V213 HydrophobicContact CG1-CG2 3.89Å; V210-V213 WeakPolarHBondContact O-CG2 3.39Å; V213-P215 WeakPolarHBondContact O-CD 3.5Å
214E81.3Confident86.3Confident86 Ų8664.1 Ų64.140%0.40234%0.335SS..  trans-67119.1-179-172.561.1-137.700110.9N216 K217 Y219E214-N216 HydrophobicContact CG-CB 4.47Å; E214-N216 PolarHBondContact O-N 3.49Å; E214-N216 PolarHBondContact OE1-ND2 2.98Å; E214-K217 HydrophobicContact CB-CB 4.28Å; E214-K217 HydrophobicContact CB-CD 4.35Å; E214-K217 HydrophobicContact CB-CG 4.31Å; E214-K217 HydrophobicContact CG-CB 4.35Å; E214-K217 HydrophobicContact CG-CD 4.2Å; E214-K217 HydrophobicContact CG-CG 3.96Å; E214-K217 PolarHBondContact O-N 3.3Å; E214-Y219 HydrophobicContact CB-CE2 4.12Å; E214-Y219 WeakPolarHBondContact CB-OH 3.41Å
215P73.9Confident85.9Confident42 Ų4266 Ų6627%0.27334%0.338SS..THydrogen-bonded Turntrans-65.4-26.7-176.9-2132.4000113.6T73 F80 V213 K217T73-P215 HydrophobicContact CG2-CG 4.19Å; F80-P215 HydrophobicContact CB-CB 4.09Å; F80-P215 HydrophobicContact CB-CG 3.81Å; F80-P215 HydrophobicContact CG-CG 4.43Å; V213-P215 WeakPolarHBondContact O-CD 3.5Å; P215-K217 VanDerWaalsContact C-N 3.35Å
216N73.7Confident85.8Confident113 Ų11372.3 Ų72.360%0.60436%0.364SS*.THydrogen-bonded Turntrans-87.6-2.1-174-60.8-52000113.4E214E214-N216 HydrophobicContact CG-CB 4.47Å; E214-N216 PolarHBondContact O-N 3.49Å; E214-N216 PolarHBondContact OE1-ND2 2.98Å
217K80.1Confident85.8Confident83 Ų8367 Ų6736%0.36134%0.342SS..SBendtrans-113.9138.7-179.4-70-173.2-179.7-1710111.8E186 E214 P215 Y219E186-K217 PolarHBondContact O-NZ 3.23Å; E214-K217 HydrophobicContact CB-CB 4.28Å; E214-K217 HydrophobicContact CB-CD 4.35Å; E214-K217 HydrophobicContact CB-CG 4.31Å; E214-K217 HydrophobicContact CG-CB 4.35Å; E214-K217 HydrophobicContact CG-CD 4.2Å; E214-K217 HydrophobicContact CG-CG 3.96Å; E214-K217 PolarHBondContact O-N 3.3Å; P215-K217 VanDerWaalsContact C-N 3.35Å; K217-Y219 HydrophobicContact CB-CD2 4.44Å; K217-Y219 HydrophobicContact CB-CE1 4.4Å; K217-Y219 HydrophobicContact CB-CE2 3.85Å; K217-Y219 PolarHBondContact O-N 3.48Å
218E80.9Confident85.8Confident198 Ų19867.2 Ų67.293%0.92534%0.339SS*.  trans-89.1106.2172.9-68.4-174.1176.500109.6
219Y84.3Confident85.8Confident46 Ų4666.6 Ų66.618%0.1834%0.338CS..  trans-91.8147.4176.1-61.5-77.8000111.6E186 E214 K217 Y223E186-Y219 WeakPolarHBondContact OE1-CE1 3.33Å; E186-Y219 WeakPolarHBondContact OE2-CE1 3.33Å; E186-Y219 PolarHBondContact OE2-OH 3.02Å; E214-Y219 HydrophobicContact CB-CE2 4.12Å; E214-Y219 WeakPolarHBondContact CB-OH 3.41Å; K217-Y219 HydrophobicContact CB-CD2 4.44Å; K217-Y219 HydrophobicContact CB-CE1 4.4Å; K217-Y219 HydrophobicContact CB-CE2 3.85Å; K217-Y219 PolarHBondContact O-N 3.48Å; Y219-Y223 AromaticContact CD1-CD1 3.67Å; Y219-Y223 HydrophobicContact CD1-CD1 3.67Å; Y219-Y223 AromaticContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CD1 4.32Å; Y219-Y223 HydrophobicContact CE1-CE1 4.04Å; Y219-Y223 HydrophobicContact CG-CD1 4.17Å
220P87.4Confident85.9Confident74 Ų7466.7 Ų66.748%0.48134%0.336SS..  trans-56.7140.2165-21.331.8000111L222 Y223P220-L222 PolarHBondContact O-N 2.91Å; P220-L222 VanDerWaalsContact O-N 3.1Å; P220-Y223 WeakPolarHBondContact O-CB 3.48Å; P220-Y223 PolarHBondContact O-N 3.21Å
221T80.8Confident86.1Confident128 Ų12865.8 Ų65.879%0.78533%0.33SS*.THydrogen-bonded Turntrans-55.3-34.6-175.551.90000113.9
222L86.7Confident86.1Confident99 Ų9967.8 Ų67.852%0.51834%0.336SS..THydrogen-bonded Turntrans-88-9.3-179.2-63.3179.6000114.2P220 R224 Y225 F226P220-L222 PolarHBondContact O-N 2.91Å; P220-L222 VanDerWaalsContact O-N 3.1Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 3.28Å; L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.36Å; L222-Y225 VanDerWaalsContact O-N 3.15Å; L222-F226 HydrophobicContact CB-CD2 3.89Å; L222-F226 HydrophobicContact CB-CE2 3.54Å; L222-F226 HydrophobicContact CB-CZ 4.44Å; L222-F226 HydrophobicContact CD1-CE2 4.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.34Å; L222-F226 PolarHBondContact O-N 2.94Å
223Y89.8Confident86.4Confident19 Ų1971.4 Ų71.48%0.07535%0.354CS..Hα-helixtrans-54-46.8-172.7174.3-114.3000112.3F182 Q185 E186 A211 Y219 P220 Y225 F226 V227F182-Y223 WeakPolarHBondContact CD1-OH 3.39Å; F182-Y223 WeakPolarHBondContact CE1-OH 3.34Å; Q185-Y223 HydrophobicContact CB-CE2 4Å; Q185-Y223 HydrophobicContact CG-CD2 4.4Å; Q185-Y223 HydrophobicContact CG-CE2 3.86Å; E186-Y223 VanDerWaalsContact OE1-CE1 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y223 PolarHBondContact OE1-OH 3.08Å; A211-Y223 HydrophobicContact CB-CE1 4.42Å; Y219-Y223 AromaticContact CD1-CD1 3.67Å; Y219-Y223 HydrophobicContact CD1-CD1 3.67Å; Y219-Y223 AromaticContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CD1 4.32Å; Y219-Y223 HydrophobicContact CE1-CE1 4.04Å; Y219-Y223 HydrophobicContact CG-CD1 4.17Å; P220-Y223 WeakPolarHBondContact O-CB 3.48Å; P220-Y223 PolarHBondContact O-N 3.21Å; Y223-Y225 PolarHBondContact O-N 2.9Å; Y223-F226 WeakPolarHBondContact O-CB 3.44Å; Y223-F226 PolarHBondContact O-N 3.41Å; Y223-F226 VanDerWaalsContact O-N 3.17Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.14Å; Y223-V227 HydrophobicContact CE2-CG2 3.9Å; Y223-V227 WeakPolarHBondContact O-CG2 3.32Å; Y223-V227 PolarHBondContact O-N 3.31Å
224R86Confident86.9Confident43 Ų4370 Ų7016%0.16235%0.346CS..Hα-helixtrans-67.8-37.1-177.5-61.4179.178.5-172.6-1.7112.7N87 I90 G212 L222 F226 V227 E228N87-R224 PolarHBondContact OD1-NH1 2.65Å; N87-R224 PolarHBondContact OD1-NH2 2.92Å; I90-R224 HydrophobicContact CD1-CB 4.08Å; G212-R224 WeakPolarHBondContact O-CD 3.37Å; G212-R224 VanDerWaalsContact O-CZ 3.31Å; G212-R224 PolarHBondContact O-NE 2.96Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 3.28Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-V227 PolarHBondContact O-N 3.01Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.38Å
225Y88.4Confident87.4Confident116 Ų11666.4 Ų66.446%0.45533%0.329SS..Hα-helixtrans-66.1-37.3173.7-63.7-75.1000111.6L222 Y223 E228 V229L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.36Å; L222-Y225 VanDerWaalsContact O-N 3.15Å; Y223-Y225 PolarHBondContact O-N 2.9Å; Y225-E228 PolarHBondContact O-N 3.19Å; Y225-V229 VanDerWaalsContact O-CG2 3.29Å; Y225-V229 WeakPolarHBondContact O-CG2 3.46Å; Y225-V229 PolarHBondContact O-N 3.24Å
226F91.9Very high88.1Confident137 Ų13764.4 Ų64.460%0.60132%0.316SS*.Hα-helixtrans-66-41.4174.2-73.8-59.6000112.6L222 Y223 R224 E228 V229 W230L222-F226 HydrophobicContact CB-CD2 3.89Å; L222-F226 HydrophobicContact CB-CE2 3.54Å; L222-F226 HydrophobicContact CB-CZ 4.44Å; L222-F226 HydrophobicContact CD1-CE2 4.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.34Å; L222-F226 PolarHBondContact O-N 2.94Å; Y223-F226 WeakPolarHBondContact O-CB 3.44Å; Y223-F226 PolarHBondContact O-N 3.41Å; Y223-F226 VanDerWaalsContact O-N 3.17Å; R224-F226 VanDerWaalsContact C-N 3.33Å; F226-E228 VanDerWaalsContact C-N 3.34Å; F226-V229 PolarHBondContact O-N 3.43Å; F226-W230 WeakPolarHBondContact O-CB 3.34Å; F226-W230 PolarHBondContact O-N 3.12Å
227V92.8Very high88.9Confident17 Ų1759.9 Ų59.910%0.10329%0.291CS..Hα-helixtrans-59.9-46.8173.5173.50000110F182 A211 Y223 R224 V229 W230 I231F182-V227 HydrophobicContact CE1-CG2 4.3Å; A211-V227 HydrophobicContact CB-CG1 4.18Å; A211-V227 HydrophobicContact CB-CG2 4.3Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.14Å; Y223-V227 HydrophobicContact CE2-CG2 3.9Å; Y223-V227 WeakPolarHBondContact O-CG2 3.32Å; Y223-V227 PolarHBondContact O-N 3.31Å; R224-V227 PolarHBondContact O-N 3.01Å; V227-V229 PolarHBondContact O-N 3Å; V227-W230 HydrophobicContact CG1-CE3 4.15Å; V227-W230 HydrophobicContact CG1-CZ3 4.39Å; V227-W230 WeakPolarHBondContact O-CB 3.49Å; V227-W230 PolarHBondContact O-N 2.94Å; V227-W230 VanDerWaalsContact O-N 3.16Å; V227-I231 HydrophobicContact CG1-CD1 4.11Å; V227-I231 WeakPolarHBondContact O-CG1 3.37Å; V227-I231 PolarHBondContact O-N 3.35Å
228E90.3Very high89.3Confident23 Ų2357.1 Ų57.111%0.10728%0.28CS..Hα-helixtrans-60.8-45.5179.4-169.962.2-155.600112.4A93 R224 Y225 F226 W230 I231 Y232A93-E228 WeakPolarHBondContact CB-OE1 3.34Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.38Å; Y225-E228 PolarHBondContact O-N 3.19Å; F226-E228 VanDerWaalsContact C-N 3.34Å; E228-W230 VanDerWaalsContact C-N 3.32Å; E228-W230 PolarHBondContact O-N 3.49Å; E228-I231 WeakPolarHBondContact O-CB 3.45Å; E228-I231 PolarHBondContact O-N 2.88Å; E228-Y232 HydrophobicContact CG-CD2 4.33Å; E228-Y232 HydrophobicContact CG-CE2 3.62Å; E228-Y232 WeakPolarHBondContact O-CD2 3.26Å; E228-Y232 PolarHBondContact O-N 2.95Å; E228-Y232 PolarHBondContact OE1-OH 3Å
229V91.9Very high89.5Confident79 Ų7948.6 Ų48.648%0.47924%0.242SC..Hα-helixtrans-61.5-41.81751700000111.2Y225 F226 V227 I231 Y232 L233Y225-V229 VanDerWaalsContact O-CG2 3.29Å; Y225-V229 WeakPolarHBondContact O-CG2 3.46Å; Y225-V229 PolarHBondContact O-N 3.24Å; F226-V229 PolarHBondContact O-N 3.43Å; V227-V229 PolarHBondContact O-N 3Å; V229-I231 VanDerWaalsContact C-N 3.33Å; V229-I231 PolarHBondContact O-N 2.88Å; V229-Y232 PolarHBondContact O-N 3.49Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.36Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 3.05Å
230W94.6Very high89.4Confident35 Ų3547.7 Ų47.713%0.13324%0.24CC..Hα-helixtrans-61.1-40.5175.5161.576.6000112.1H174 P178 F182 F196 L201 F226 V227 E228 L233 G234H174-W230 AromaticContact CD2-CD1 3.85Å; H174-W230 AromaticContact CD2-NE1 3.73Å; P178-W230 HydrophobicContact CB-CZ2 3.81Å; P178-W230 HydrophobicContact CG-CZ2 3.79Å; F182-W230 HydrophobicContact CE2-CH2 4.03Å; F182-W230 HydrophobicContact CE2-CZ2 4.49Å; F182-W230 HydrophobicContact CE2-CZ3 4.34Å; F182-W230 HydrophobicContact CZ-CE3 4.35Å; F182-W230 HydrophobicContact CZ-CH2 4.04Å; F182-W230 AromaticContact CZ-CZ3 3.86Å; F182-W230 HydrophobicContact CZ-CZ3 3.86Å; F196-W230 HydrophobicContact CE1-CH2 4.2Å; F196-W230 AromaticContact CE1-CZ3 3.97Å; F196-W230 HydrophobicContact CE1-CZ3 3.97Å; L201-W230 HydrophobicContact CD1-CZ2 4.17Å; L201-W230 HydrophobicContact CG-CZ2 4.44Å; F226-W230 WeakPolarHBondContact O-CB 3.34Å; F226-W230 PolarHBondContact O-N 3.12Å; V227-W230 HydrophobicContact CG1-CE3 4.15Å; V227-W230 HydrophobicContact CG1-CZ3 4.39Å; V227-W230 WeakPolarHBondContact O-CB 3.49Å; V227-W230 PolarHBondContact O-N 2.94Å; V227-W230 VanDerWaalsContact O-N 3.16Å; E228-W230 VanDerWaalsContact C-N 3.32Å; E228-W230 PolarHBondContact O-N 3.49Å; W230-L233 PolarHBondContact O-N 3.32Å; W230-G234 PolarHBondContact O-N 3.43Å
231I93.9Very high89.2Confident3 Ų347.5 Ų47.52%0.01523%0.232CC..Hα-helixtrans-60-50.3174.6-68171.4000110.1I99 T200 V227 E228 V229 L233 G234 L235I99-I231 HydrophobicContact CD1-CG2 3.57Å; T200-I231 HydrophobicContact CG2-CD1 3.68Å; T200-I231 HydrophobicContact CG2-CG1 3.71Å; T200-I231 HydrophobicContact CG2-CG2 4.3Å; V227-I231 HydrophobicContact CG1-CD1 4.11Å; V227-I231 WeakPolarHBondContact O-CG1 3.37Å; V227-I231 PolarHBondContact O-N 3.35Å; E228-I231 WeakPolarHBondContact O-CB 3.45Å; E228-I231 PolarHBondContact O-N 2.88Å; V229-I231 VanDerWaalsContact C-N 3.33Å; V229-I231 PolarHBondContact O-N 2.88Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.17Å; I231-G234 PolarHBondContact O-N 3.39Å; I231-G234 VanDerWaalsContact O-N 3.12Å; I231-L235 HydrophobicContact CG2-CD1 3.97Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CG 3.44Å; I231-L235 PolarHBondContact O-N 3.02Å
232Y91.9Very high89.3Confident51 Ų5146.4 Ų46.420%0.222%0.217CC..Hα-helixtrans-60.6-41.9179.1-66.1-44.8000113.1A93 T97 W129 E228 V229 G234 L235 A236A93-Y232 WeakPolarHBondContact CB-OH 3.44Å; T97-Y232 HydrophobicContact CG2-CD1 4.19Å; T97-Y232 HydrophobicContact CG2-CE1 3.65Å; W129-Y232 AromaticContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 4.16Å; W129-Y232 HydrophobicContact CH2-CE1 4.41Å; W129-Y232 AromaticContact CH2-CG 3.86Å; W129-Y232 HydrophobicContact CH2-CG 3.86Å; W129-Y232 AromaticContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CE1 4.04Å; W129-Y232 HydrophobicContact CZ3-CG 4.09Å; E228-Y232 HydrophobicContact CG-CD2 4.33Å; E228-Y232 HydrophobicContact CG-CE2 3.62Å; E228-Y232 WeakPolarHBondContact O-CD2 3.26Å; E228-Y232 PolarHBondContact O-N 2.95Å; E228-Y232 PolarHBondContact OE1-OH 3Å; V229-Y232 PolarHBondContact O-N 3.49Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 2.85Å; Y232-L235 PolarHBondContact O-N 3.45Å; Y232-A236 WeakPolarHBondContact O-CB 3.43Å; Y232-A236 PolarHBondContact O-N 2.86Å
233L91.8Very high89Confident78 Ų7845.3 Ų45.341%0.40821%0.211SC..Hα-helixtrans-63.7-39.2175.7-69.1175.5000111.6F137 V229 W230 I231 A236 W237F137-L233 HydrophobicContact CE2-CD2 4.1Å; F137-L233 HydrophobicContact CZ-CD2 3.62Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.36Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 3.05Å; W230-L233 PolarHBondContact O-N 3.32Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.17Å; L233-A236 PolarHBondContact O-N 3.35Å; L233-W237 WeakPolarHBondContact O-CB 3.35Å; L233-W237 PolarHBondContact O-N 3.45Å
234G92.6Very high88.6Confident0 Ų047.3 Ų47.30%022%0.219CC..Hα-helixtrans-67.9-42176.800000113.2H174 W230 I231 Y232 W237 L238H174-G234 WeakPolarHBondContact CD2-CA 3.43Å; H174-G234 PolarHBondContact CD2-N 3.08Å; H174-G234 WeakPolarHBondContact NE2-CA 3.43Å; H174-G234 PolarHBondContact NE2-N 3.49Å; W230-G234 PolarHBondContact O-N 3.43Å; I231-G234 PolarHBondContact O-N 3.39Å; I231-G234 VanDerWaalsContact O-N 3.12Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 2.85Å; G234-W237 PolarHBondContact O-N 3.27Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.98Å
235L91.4Very high88.5Confident10 Ų1050.1 Ų50.15%0.05223%0.232CC..Hα-helixtrans-64.2-41.3174-68.3177.7000111.5T97 I99 I130 L201 T203 I231 Y232 W237 L238 S239T97-L235 HydrophobicContact CG2-CD1 3.85Å; I99-L235 HydrophobicContact CD1-CD1 4.45Å; I130-L235 HydrophobicContact CD1-CB 4.18Å; I130-L235 HydrophobicContact CD1-CD1 4.13Å; I130-L235 HydrophobicContact CG2-CB 4.48Å; L201-L235 WeakPolarHBondContact O-CD2 3.42Å; T203-L235 HydrophobicContact CG2-CD2 3.54Å; I231-L235 HydrophobicContact CG2-CD1 3.97Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CG 3.44Å; I231-L235 PolarHBondContact O-N 3.02Å; Y232-L235 PolarHBondContact O-N 3.45Å; L235-W237 VanDerWaalsContact C-N 3.34Å; L235-W237 PolarHBondContact O-N 3.19Å; L235-L238 PolarHBondContact O-N 2.74Å; L235-S239 PolarHBondContact O-N 2.65Å
236A89.4Confident88.3Confident0 Ų048.6 Ų48.60%024%0.235CC..Hα-helixtrans-61.2-42.5173.300000111.7L133 F137 Y232 L233 S239 L240L133-A236 HydrophobicContact CB-CB 3.79Å; L133-A236 HydrophobicContact CD1-CB 4.42Å; F137-A236 HydrophobicContact CD2-CB 4.09Å; F137-A236 HydrophobicContact CE2-CB 4.02Å; Y232-A236 WeakPolarHBondContact O-CB 3.43Å; Y232-A236 PolarHBondContact O-N 2.86Å; L233-A236 PolarHBondContact O-N 3.35Å; A236-S239 PolarHBondContact O-N 3.25Å; A236-S239 PolarHBondContact O-OG 3.42Å; A236-L240 PolarHBondContact O-N 2.88Å
237W89.5Confident87.8Confident19 Ų1950.8 Ų50.87%0.07224%0.239CC..Hα-helixtrans-64.4-41173.617182.3000112.5F166 L167 V171 L233 G234 L235 S239 L240 F241F166-W237 AromaticContact CE1-CD1 3.89Å; L167-W237 HydrophobicContact CD2-CZ2 4.4Å; L167-W237 WeakPolarHBondContact O-CZ2 3.37Å; V171-W237 HydrophobicContact CG2-CH2 3.72Å; V171-W237 HydrophobicContact CG2-CZ2 3.73Å; L233-W237 WeakPolarHBondContact O-CB 3.35Å; L233-W237 PolarHBondContact O-N 3.45Å; G234-W237 PolarHBondContact O-N 3.27Å; L235-W237 VanDerWaalsContact C-N 3.34Å; L235-W237 PolarHBondContact O-N 3.19Å; W237-S239 VanDerWaalsContact C-N 3.31Å; W237-S239 PolarHBondContact O-N 3.42Å; W237-L240 VanDerWaalsContact O-CB 3.32Å; W237-L240 WeakPolarHBondContact O-CB 3.41Å; W237-L240 PolarHBondContact O-N 3.49Å; W237-L240 VanDerWaalsContact O-N 3.13Å; W237-F241 PolarHBondContact O-N 2.92Å; W237-F241 VanDerWaalsContact O-N 3.08Å
238L88.4Confident87.3Confident25 Ų2553.6 Ų53.613%0.13125%0.252CS..Hα-helixtrans-65.1-36.7178.6-165.472.4000111.6L201 G234 L235 L240 F241 F242L201-L238 WeakPolarHBondContact O-CD2 3.26Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.98Å; L235-L238 PolarHBondContact O-N 2.74Å; L238-L240 VanDerWaalsContact C-N 3.25Å; L238-L240 PolarHBondContact O-N 3.28Å; L238-F241 HydrophobicContact CD1-CD1 4.34Å; L238-F241 WeakPolarHBondContact O-CB 3.26Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.11Å; L238-F242 HydrophobicContact CD1-CE2 4.41Å; L238-F242 HydrophobicContact CD2-CE2 3.64Å; L238-F242 HydrophobicContact CD2-CZ 4.24Å; L238-F242 HydrophobicContact CG-CD2 4.06Å; L238-F242 HydrophobicContact CG-CE2 3.59Å; L238-F242 HydrophobicContact CG-CZ 4.3Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 2.87Å
239S85.5Confident87.1Confident18 Ų1856.3 Ų56.313%0.12627%0.27CS..Hα-helixtrans-59.3-37.3173.885.20000112I130 G134 L235 A236 W237 N243I130-S239 PolarHBondContact O-OG 3.45Å; G134-S239 WeakPolarHBondContact CA-OG 3.35Å; L235-S239 PolarHBondContact O-N 2.65Å; A236-S239 PolarHBondContact O-N 3.25Å; A236-S239 PolarHBondContact O-OG 3.42Å; W237-S239 VanDerWaalsContact C-N 3.31Å; W237-S239 PolarHBondContact O-N 3.42Å; S239-N243 WeakPolarHBondContact O-CB 3.25Å; S239-N243 PolarHBondContact O-N 3.2Å; S239-N243 VanDerWaalsContact O-N 3.08Å; S239-N243 PolarHBondContact O-ND2 3.08Å
240L82.3Confident86.9Confident27 Ų2756.6 Ų56.614%0.14127%0.268CS..Hα-helixtrans-67.4-42.1174.3-82.6176000112G134 F137 F166 A236 W237 L238 N243 W244G134-L240 WeakPolarHBondContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.36Å; G134-L240 VanDerWaalsContact O-CG 3.23Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å; F137-L240 HydrophobicContact CB-CD1 3.64Å; F166-L240 HydrophobicContact CD1-CD1 4.44Å; F166-L240 HydrophobicContact CE1-CD1 3.59Å; F166-L240 HydrophobicContact CZ-CD1 4.28Å; A236-L240 PolarHBondContact O-N 2.88Å; W237-L240 VanDerWaalsContact O-CB 3.32Å; W237-L240 WeakPolarHBondContact O-CB 3.41Å; W237-L240 PolarHBondContact O-N 3.49Å; W237-L240 VanDerWaalsContact O-N 3.13Å; L238-L240 VanDerWaalsContact C-N 3.25Å; L238-L240 PolarHBondContact O-N 3.28Å; L240-N243 PolarHBondContact O-N 2.99Å; L240-W244 WeakPolarHBondContact O-CB 3.44Å; L240-W244 PolarHBondContact O-N 3.36Å
241F84Confident86.5Confident71 Ų7161.2 Ų61.231%0.31129%0.291SS..Hα-helixtrans-59.1-45.7175.7172.9-100.6000111.5L167 W237 L238 W244 K245L167-F241 HydrophobicContact CD1-CD2 4.31Å; L167-F241 HydrophobicContact CD2-CB 3.95Å; L167-F241 HydrophobicContact CD2-CD2 4.12Å; W237-F241 PolarHBondContact O-N 2.92Å; W237-F241 VanDerWaalsContact O-N 3.08Å; L238-F241 HydrophobicContact CD1-CD1 4.34Å; L238-F241 WeakPolarHBondContact O-CB 3.26Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.11Å; F241-W244 PolarHBondContact O-N 3.24Å; F241-K245 WeakPolarHBondContact O-CB 3.36Å; F241-K245 PolarHBondContact O-N 3.35Å
242F82.1Confident86.1Confident105 Ų10563.1 Ų63.146%0.46131%0.307SS..Hα-helixtrans-62.3-46.1176.4-74.2-57.7000112.4L238 W244 K245 V246L238-F242 HydrophobicContact CD1-CE2 4.41Å; L238-F242 HydrophobicContact CD2-CE2 3.64Å; L238-F242 HydrophobicContact CD2-CZ 4.24Å; L238-F242 HydrophobicContact CG-CD2 4.06Å; L238-F242 HydrophobicContact CG-CE2 3.59Å; L238-F242 HydrophobicContact CG-CZ 4.3Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 2.87Å; F242-W244 VanDerWaalsContact C-N 3.28Å; F242-W244 PolarHBondContact O-N 3.45Å; F242-K245 PolarHBondContact O-N 3.32Å; F242-V246 WeakPolarHBondContact O-CG2 3.38Å; F242-V246 PolarHBondContact O-N 3.05Å
243N79.6Confident85.9Confident76 Ų7665.5 Ų65.541%0.40632%0.32SS..Hα-helixtrans-58.9-40.3175.9-82-57.4000112.3S239 L240 R247S239-N243 WeakPolarHBondContact O-CB 3.25Å; S239-N243 PolarHBondContact O-N 3.2Å; S239-N243 VanDerWaalsContact O-N 3.08Å; S239-N243 PolarHBondContact O-ND2 3.08Å; L240-N243 PolarHBondContact O-N 2.99Å; N243-R247 WeakPolarHBondContact O-CG 3.25Å; N243-R247 PolarHBondContact O-N 3.1Å
244W82.4Confident85.8Confident61 Ų6168.6 Ų68.623%0.23133%0.33CS..Hα-helixtrans-70-45.2176.5-178.484.9000112.2F160 L167 L240 F241 F242 V246 R247 M248F160-W244 AromaticContact CE2-CZ2 3.83Å; F160-W244 HydrophobicContact CE2-CZ2 3.83Å; F160-W244 AromaticContact CZ-CZ2 3.9Å; F160-W244 HydrophobicContact CZ-CZ2 3.9Å; L167-W244 HydrophobicContact CD1-CB 4.43Å; L167-W244 HydrophobicContact CD1-CD2 3.57Å; L167-W244 HydrophobicContact CD1-CE3 3.51Å; L167-W244 HydrophobicContact CD1-CG 3.99Å; L167-W244 HydrophobicContact CD1-CH2 4.38Å; L167-W244 HydrophobicContact CD1-CZ2 4.44Å; L167-W244 HydrophobicContact CD1-CZ3 3.94Å; L240-W244 WeakPolarHBondContact O-CB 3.44Å; L240-W244 PolarHBondContact O-N 3.36Å; F241-W244 PolarHBondContact O-N 3.24Å; F242-W244 VanDerWaalsContact C-N 3.28Å; F242-W244 PolarHBondContact O-N 3.45Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.02Å; W244-R247 PolarHBondContact O-N 2.97Å; W244-M248 HydrophobicContact CH2-CG 4.43Å; W244-M248 HydrophobicContact CH2-SD 3.41Å; W244-M248 WeakPolarHBondContact CH2-SD 3.31Å; W244-M248 HydrophobicContact CZ2-CG 4.48Å; W244-M248 HydrophobicContact CZ2-SD 3.97Å; W244-M248 HydrophobicContact CZ3-SD 3.78Å; W244-M248 WeakPolarHBondContact O-CB 3.18Å; W244-M248 PolarHBondContact O-N 2.91Å
245K83.3Confident85.6Confident101 Ų10170.7 Ų70.744%0.43935%0.347SS..Hα-helixtrans-55.1-48176.4176.7-170.9170.2-175.50111F241 F242 R247 M248 V249F241-K245 WeakPolarHBondContact O-CB 3.36Å; F241-K245 PolarHBondContact O-N 3.35Å; F242-K245 PolarHBondContact O-N 3.32Å; K245-R247 PolarHBondContact O-N 3.32Å; K245-M248 PolarHBondContact O-N 3.43Å; K245-V249 HydrophobicContact CG-CG2 4.32Å; K245-V249 WeakPolarHBondContact O-CB 3.43Å; K245-V249 VanDerWaalsContact O-CG2 3.26Å; K245-V249 WeakPolarHBondContact O-CG2 3.41Å; K245-V249 PolarHBondContact O-N 3.11Å
246V84.4Confident85.4Confident85 Ų8574.2 Ų74.252%0.51537%0.366SS..Hα-helixtrans-58.6-47.7178.5171.80000110.6F242 W244 M248 V249 I250F242-V246 WeakPolarHBondContact O-CG2 3.38Å; F242-V246 PolarHBondContact O-N 3.05Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.02Å; V246-M248 PolarHBondContact O-N 3.14Å; V246-V249 PolarHBondContact O-N 2.8Å; V246-I250 HydrophobicContact CG1-CD1 3.86Å; V246-I250 WeakPolarHBondContact O-CD1 3.44Å; V246-I250 VanDerWaalsContact O-CG1 3.25Å; V246-I250 WeakPolarHBondContact O-CG1 3.36Å; V246-I250 PolarHBondContact O-N 3.12Å; V246-I250 VanDerWaalsContact O-N 3.08Å
247R80.9Confident85.5Confident183 Ų18380 Ų8069%0.69139%0.391SS*.Hα-helixtrans-61.2-45.5176.9-70175.8-173.7-93.3-1.9112N243 W244 K245 I250 E251N243-R247 WeakPolarHBondContact O-CG 3.25Å; N243-R247 PolarHBondContact O-N 3.1Å; W244-R247 PolarHBondContact O-N 2.97Å; K245-R247 PolarHBondContact O-N 3.32Å; R247-I250 PolarHBondContact O-N 2.79Å; R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 PolarHBondContact O-N 3.06Å
248M82.9Confident85.6Confident76 Ų7686 Ų8637%0.37442%0.418SS..Hα-helixtrans-63.9-43.1-179.8-168-164.174.700111.6W244 K245 V246 I250 E251 A252W244-M248 HydrophobicContact CH2-CG 4.43Å; W244-M248 HydrophobicContact CH2-SD 3.41Å; W244-M248 WeakPolarHBondContact CH2-SD 3.31Å; W244-M248 HydrophobicContact CZ2-CG 4.48Å; W244-M248 HydrophobicContact CZ2-SD 3.97Å; W244-M248 HydrophobicContact CZ3-SD 3.78Å; W244-M248 WeakPolarHBondContact O-CB 3.18Å; W244-M248 PolarHBondContact O-N 2.91Å; K245-M248 PolarHBondContact O-N 3.43Å; V246-M248 PolarHBondContact O-N 3.14Å; M248-I250 VanDerWaalsContact C-N 3.34Å; M248-I250 PolarHBondContact O-N 2.82Å; M248-E251 PolarHBondContact O-N 3.48Å; M248-A252 WeakPolarHBondContact O-CB 3.45Å; M248-A252 PolarHBondContact O-N 3.48Å
249V86.6Confident85.6Confident79 Ų7992.7 Ų92.748%0.47944%0.441SS..Hα-helixtrans-62.5-42.9177.3169.70000110.7K245 V246 H253K245-V249 HydrophobicContact CG-CG2 4.32Å; K245-V249 WeakPolarHBondContact O-CB 3.43Å; K245-V249 VanDerWaalsContact O-CG2 3.26Å; K245-V249 WeakPolarHBondContact O-CG2 3.41Å; K245-V249 PolarHBondContact O-N 3.11Å; V246-V249 PolarHBondContact O-N 2.8Å; V249-H253 VanDerWaalsContact O-CB 3.23Å; V249-H253 WeakPolarHBondContact O-CB 3.23Å; V249-H253 PolarHBondContact O-N 3.33Å
250I86.5Confident85.8Confident85 Ų8599.9 Ų99.944%0.43647%0.465SS..Hα-helixtrans-63.7-45.6176.6-67.2165.5000110.7V246 R247 M248 H253 K254V246-I250 HydrophobicContact CG1-CD1 3.86Å; V246-I250 WeakPolarHBondContact O-CD1 3.44Å; V246-I250 VanDerWaalsContact O-CG1 3.25Å; V246-I250 WeakPolarHBondContact O-CG1 3.36Å; V246-I250 PolarHBondContact O-N 3.12Å; V246-I250 VanDerWaalsContact O-N 3.08Å; R247-I250 PolarHBondContact O-N 2.79Å; M248-I250 VanDerWaalsContact C-N 3.34Å; M248-I250 PolarHBondContact O-N 2.82Å; I250-H253 PolarHBondContact O-N 2.88Å; I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 WeakPolarHBondContact O-CG 3.25Å; I250-K254 PolarHBondContact O-N 3.01Å
251E86.4Confident86.1Confident132 Ų132104.8 Ų104.862%0.61749%0.486SS*.Hα-helixtrans-66.3-44.5179.8-172.3168.9-170.600112R247 M248 H253 K254 A255R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 PolarHBondContact O-N 3.06Å; M248-E251 PolarHBondContact O-N 3.48Å; E251-H253 VanDerWaalsContact C-N 3.34Å; E251-H253 PolarHBondContact O-N 3.3Å; E251-K254 PolarHBondContact O-N 3.06Å; E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 2.94Å
252A86.3Confident86.3Confident44 Ų44106.2 Ų106.236%0.36450%0.496SS..Hα-helixtrans-60.2-43.6174.100000111.1M248 K254 A255 L256M248-A252 WeakPolarHBondContact O-CB 3.45Å; M248-A252 PolarHBondContact O-N 3.48Å; A252-K254 PolarHBondContact O-N 3.18Å; A252-A255 PolarHBondContact O-N 3.39Å; A252-L256 WeakPolarHBondContact O-CB 3.34Å; A252-L256 VanDerWaalsContact O-CG 3.25Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 2.92Å
253H86.6Confident86.5Confident100 Ų100110 Ų11046%0.46351%0.507SS..Hα-helixtrans-64-41.3176.5-175-105.9000112V249 I250 E251 L256 K257V249-H253 VanDerWaalsContact O-CB 3.23Å; V249-H253 WeakPolarHBondContact O-CB 3.23Å; V249-H253 PolarHBondContact O-N 3.33Å; I250-H253 PolarHBondContact O-N 2.88Å; E251-H253 VanDerWaalsContact C-N 3.34Å; E251-H253 PolarHBondContact O-N 3.3Å; H253-L256 PolarHBondContact O-N 3.45Å; H253-K257 WeakPolarHBondContact O-CB 3.37Å; H253-K257 PolarHBondContact O-N 2.84Å
254K89.7Confident86.9Confident143 Ų143113.8 Ų113.862%0.62252%0.52SS*.Hα-helixtrans-62.1-44.6173.1-74.7175.2-178.5179.10111.4I250 E251 A252 K257 K258I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 WeakPolarHBondContact O-CG 3.25Å; I250-K254 PolarHBondContact O-N 3.01Å; E251-K254 PolarHBondContact O-N 3.06Å; A252-K254 PolarHBondContact O-N 3.18Å; K254-K257 PolarHBondContact O-N 3.5Å; K254-K258 PolarHBondContact O-N 3.46Å
255A89.3Confident87.2Confident44 Ų44115.9 Ų115.936%0.36454%0.535SS..Hα-helixtrans-63.6-43.7177.700000111.9E251 A252 K258 R259E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 2.94Å; A252-A255 PolarHBondContact O-N 3.39Å; A255-K258 PolarHBondContact O-N 2.82Å; A255-R259 WeakPolarHBondContact O-CG 3.35Å; A255-R259 PolarHBondContact O-N 3.48Å
256L88.1Confident87.3Confident84 Ų84114 Ų11444%0.4454%0.535SS..Hα-helixtrans-63.8-42.2174.6-72.8173.1000111.5A252 H253 K258 R259 R260A252-L256 WeakPolarHBondContact O-CB 3.34Å; A252-L256 VanDerWaalsContact O-CG 3.25Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 2.92Å; H253-L256 PolarHBondContact O-N 3.45Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 3.45Å; L256-R259 PolarHBondContact O-N 3.24Å; L256-R260 WeakPolarHBondContact O-CB 3.48Å; L256-R260 VanDerWaalsContact O-CG 3.3Å; L256-R260 WeakPolarHBondContact O-CG 3.21Å; L256-R260 PolarHBondContact O-N 2.92Å
257K90.3Very high87.4Confident122 Ų122114.5 Ų114.553%0.5353%0.534SS..Hα-helixtrans-61-42.6174.8-170.8176.2-177.11790111.2H253 K254 R260 K261H253-K257 WeakPolarHBondContact O-CB 3.37Å; H253-K257 PolarHBondContact O-N 2.84Å; K254-K257 PolarHBondContact O-N 3.5Å; K257-R260 PolarHBondContact O-N 2.86Å; K257-K261 WeakPolarHBondContact O-CG 3.44Å; K257-K261 PolarHBondContact O-N 3.28Å
258K91.8Very high87.7Confident146 Ų146110.9 Ų110.964%0.63553%0.525SS*.Hα-helixtrans-62.4-47.5175.1-173.6178.6179.6179.70111.7K254 A255 L256 R260 K261 L262K254-K258 PolarHBondContact O-N 3.46Å; A255-K258 PolarHBondContact O-N 2.82Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 3.45Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-R260 PolarHBondContact O-N 3.39Å; K258-K261 PolarHBondContact O-N 3.05Å; K258-L262 HydrophobicContact CG-CD1 4.22Å; K258-L262 PolarHBondContact O-N 2.81Å
259R89.2Confident87.8Confident164 Ų164114.2 Ų114.262%0.61954%0.54SS*.Hα-helixtrans-60.9-40.6176.3-73.1178.7-179-175.80.9112.1A255 L256 L262 R263A255-R259 WeakPolarHBondContact O-CG 3.35Å; A255-R259 PolarHBondContact O-N 3.48Å; L256-R259 PolarHBondContact O-N 3.24Å; R259-L262 PolarHBondContact O-N 3.02Å; R259-R263 WeakPolarHBondContact O-CG 3.3Å; R259-R263 PolarHBondContact O-N 3.32Å
260R88.8Confident87.4Confident169 Ų169116.8 Ų116.864%0.63855%0.548SS*.Hα-helixtrans-63.9-41.6175.6-74.1176.9-173.7179.92.3112.1L256 K257 K258 R263 K264L256-R260 WeakPolarHBondContact O-CB 3.48Å; L256-R260 VanDerWaalsContact O-CG 3.3Å; L256-R260 WeakPolarHBondContact O-CG 3.21Å; L256-R260 PolarHBondContact O-N 2.92Å; K257-R260 PolarHBondContact O-N 2.86Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-R260 PolarHBondContact O-N 3.39Å; R260-R263 PolarHBondContact O-N 2.86Å; R260-K264 WeakPolarHBondContact O-CG 3.21Å; R260-K264 PolarHBondContact O-N 3.36Å; R260-K264 VanDerWaalsContact O-N 3.13Å
261K89.2Confident87.1Confident130 Ų130120 Ų12057%0.56556%0.555SS**Hα-helixtrans-62.5-46175-74.5-175.1175.8-166.50111.9K257 K258 R263 K264 L265K257-K261 WeakPolarHBondContact O-CG 3.44Å; K257-K261 PolarHBondContact O-N 3.28Å; K258-K261 PolarHBondContact O-N 3.05Å; K261-R263 PolarHBondContact O-N 3.33Å; K261-K264 PolarHBondContact O-N 3.31Å; K261-K264 VanDerWaalsContact O-N 3.16Å; K261-L265 PolarHBondContact O-N 2.9Å
262L86.9Confident86.9Confident101 Ų101119.5 Ų119.553%0.52955%0.552SS.*Hα-helixtrans-59.5-43.4177-77161.8000112.2K258 R259 K264 L265 S266K258-L262 HydrophobicContact CG-CD1 4.22Å; K258-L262 PolarHBondContact O-N 2.81Å; R259-L262 PolarHBondContact O-N 3.02Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.91Å; L262-L265 PolarHBondContact O-N 2.8Å; L262-S266 PolarHBondContact O-N 3.31Å; L262-S266 PolarHBondContact O-OG 3.47Å
263R87.6Confident86.4Confident185 Ų185124.5 Ų124.570%0.69856%0.563SS**Hα-helixtrans-63.6-33.1175.7-72.4-179.3-171.8176.90.5113.5R259 R260 K261 S266 L267R259-R263 WeakPolarHBondContact O-CG 3.3Å; R259-R263 PolarHBondContact O-N 3.32Å; R260-R263 PolarHBondContact O-N 2.86Å; K261-R263 PolarHBondContact O-N 3.33Å; R263-S266 WeakPolarHBondContact CA-OG 3.41Å; R263-S266 PolarHBondContact O-OG 3.44Å; R263-L267 WeakPolarHBondContact O-CB 3.39Å; R263-L267 PolarHBondContact O-N 3.44Å
264K88.1Confident86Confident156 Ų156127.5 Ų127.568%0.67858%0.575SS**Hα-helixtrans-69.2-46.3175.6-74.4-173.4176.7-165.20111.1R260 K261 L262 S266 L267 E268R260-K264 WeakPolarHBondContact O-CG 3.21Å; R260-K264 PolarHBondContact O-N 3.36Å; R260-K264 VanDerWaalsContact O-N 3.13Å; K261-K264 PolarHBondContact O-N 3.31Å; K261-K264 VanDerWaalsContact O-N 3.16Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.91Å; K264-S266 PolarHBondContact O-N 3.31Å; K264-L267 WeakPolarHBondContact O-CB 3.48Å; K264-L267 PolarHBondContact O-N 2.94Å; K264-E268 WeakPolarHBondContact O-CB 3.43Å; K264-E268 PolarHBondContact O-N 2.76Å
265L87.7Confident85.5Confident105 Ų105126.5 Ų126.555%0.5557%0.572SS.*Hα-helixtrans-60.3-45.6177.2-71.3169000111.8K261 L262 L267 E268 E269K261-L265 PolarHBondContact O-N 2.9Å; L262-L265 PolarHBondContact O-N 2.8Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.4Å; L265-E268 PolarHBondContact O-N 2.88Å; L265-E269 PolarHBondContact O-N 3.21Å
266S85.5Confident84.8Confident61 Ų61127.6 Ų127.643%0.42758%0.577SS.*Hα-helixtrans-63.3-33.7177.363.90000113L262 R263 K264 M270L262-S266 PolarHBondContact O-N 3.31Å; L262-S266 PolarHBondContact O-OG 3.47Å; R263-S266 WeakPolarHBondContact CA-OG 3.41Å; R263-S266 PolarHBondContact O-OG 3.44Å; K264-S266 PolarHBondContact O-N 3.31Å; S266-M270 WeakPolarHBondContact O-CB 3.5Å; S266-M270 VanDerWaalsContact O-CG 3.3Å; S266-M270 WeakPolarHBondContact O-CG 3.47Å; S266-M270 PolarHBondContact O-N 3.35Å; S266-M270 VanDerWaalsContact O-N 3.1Å
267L87.1Confident83.7Confident96 Ų96128.4 Ų128.450%0.50358%0.578SS.*Hα-helixtrans-70-37.5176.6-163.898.6000111.5R263 K264 L265 R271R263-L267 WeakPolarHBondContact O-CB 3.39Å; R263-L267 PolarHBondContact O-N 3.44Å; K264-L267 WeakPolarHBondContact O-CB 3.48Å; K264-L267 PolarHBondContact O-N 2.94Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.4Å; L267-R271 WeakPolarHBondContact O-CG 3.17Å; L267-R271 PolarHBondContact O-N 3.41Å
268E86.4Confident82.5Confident107 Ų107130.5 Ų130.550%0.559%0.587SS.*Hα-helixtrans-70.5-40.9178.8-158.9158.3-141.500111.3K264 L265 R271 H272K264-E268 WeakPolarHBondContact O-CB 3.43Å; K264-E268 PolarHBondContact O-N 2.76Å; L265-E268 PolarHBondContact O-N 2.88Å; E268-R271 WeakPolarHBondContact O-CB 3.46Å; E268-R271 PolarHBondContact O-N 3.12Å; E268-H272 PolarHBondContact O-CD2 2.99Å; E268-H272 PolarHBondContact O-N 3.36Å
269E86.7Confident81.1Confident145 Ų145126.8 Ų126.868%0.67858%0.584SS**Hα-helixtrans-61.6-44.8172-171.4173-172.600112L265 R271 H272 Y273L265-E269 PolarHBondContact O-N 3.21Å; E269-R271 VanDerWaalsContact C-N 3.31Å; E269-R271 PolarHBondContact O-N 3.17Å; E269-H272 PolarHBondContact O-N 3.06Å; E269-Y273 PolarHBondContact O-N 2.97Å
270M77.1Confident79.6Confident134 Ų134122.4 Ų122.466%0.6658%0.578SS**Hα-helixtrans-62.6-34.7174.3-78.6-69.4-7000113S266 K274S266-M270 WeakPolarHBondContact O-CB 3.5Å; S266-M270 VanDerWaalsContact O-CG 3.3Å; S266-M270 WeakPolarHBondContact O-CG 3.47Å; S266-M270 PolarHBondContact O-N 3.35Å; S266-M270 VanDerWaalsContact O-N 3.1Å; M270-K274 WeakPolarHBondContact O-CB 3.48Å; M270-K274 PolarHBondContact O-N 3.46Å; M270-K274 VanDerWaalsContact O-N 3.12Å
271R81.3Confident78Confident153 Ų153120.8 Ų120.858%0.57758%0.582SS**Hα-helixtrans-66.4-46.5173.6-78.4179.2-174.9172.6-0.5111.2L267 E268 E269 Y273 K274 E275L267-R271 WeakPolarHBondContact O-CG 3.17Å; L267-R271 PolarHBondContact O-N 3.41Å; E268-R271 WeakPolarHBondContact O-CB 3.46Å; E268-R271 PolarHBondContact O-N 3.12Å; E269-R271 VanDerWaalsContact C-N 3.31Å; E269-R271 PolarHBondContact O-N 3.17Å; R271-Y273 VanDerWaalsContact C-N 3.32Å; R271-Y273 PolarHBondContact O-N 3.45Å; R271-K274 PolarHBondContact O-N 3.07Å; R271-K274 VanDerWaalsContact O-N 3.14Å; R271-E275 WeakPolarHBondContact O-CG 3.41Å; R271-E275 PolarHBondContact O-N 3.06Å
272H80.9Confident76.3Confident121 Ų121125 Ų12556%0.5659%0.594SS**Hα-helixtrans-59.8-41177.1-85.8-59.5000112.6E268 E269 E275 S276E268-H272 PolarHBondContact O-CD2 2.99Å; E268-H272 PolarHBondContact O-N 3.36Å; E269-H272 PolarHBondContact O-N 3.06Å; H272-E275 PolarHBondContact O-N 3.03Å; H272-S276 WeakPolarHBondContact O-CB 3.41Å; H272-S276 PolarHBondContact O-N 3.48Å; H272-S276 PolarHBondContact O-OG 3.48Å
273Y76.4Confident74.8Confident148 Ų148127.2 Ų127.258%0.5861%0.606SS**Hα-helixtrans-62.3-42.4174.3-176.5-95.2000112.4E269 R271 S276 H277E269-Y273 PolarHBondContact O-N 2.97Å; R271-Y273 VanDerWaalsContact C-N 3.32Å; R271-Y273 PolarHBondContact O-N 3.45Å; Y273-S276 PolarHBondContact O-OG 3.44Å; Y273-H277 WeakPolarHBondContact O-CB 3.45Å; Y273-H277 PolarHBondContact O-N 3.41Å
274K78.7Confident73.3Confident164 Ų164123.3 Ų123.371%0.71360%0.604SS**Hα-helixtrans-67.6-37.5178.7-170.7175.1-178.7177.30112.4M270 R271 K278M270-K274 WeakPolarHBondContact O-CB 3.48Å; M270-K274 PolarHBondContact O-N 3.46Å; M270-K274 VanDerWaalsContact O-N 3.12Å; R271-K274 PolarHBondContact O-N 3.07Å; R271-K274 VanDerWaalsContact O-N 3.14Å; K274-K278 WeakPolarHBondContact O-CB 3.4Å; K274-K278 PolarHBondContact O-N 3.4Å; K274-K278 VanDerWaalsContact O-N 3.07Å
275E78.9Confident71.4Confident121 Ų121122.1 Ų122.157%0.56561%0.612SS**Hα-helixtrans-70.7-42.5177.3-74.1174.5-177.700112.1R271 H272 H277 K278 A279R271-E275 WeakPolarHBondContact O-CG 3.41Å; R271-E275 PolarHBondContact O-N 3.06Å; H272-E275 PolarHBondContact O-N 3.03Å; E275-H277 VanDerWaalsContact C-N 3.34Å; E275-H277 PolarHBondContact O-N 3.43Å; E275-K278 PolarHBondContact O-N 3.24Å; E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.49Å
276S73.5Confident69.8Low67 Ų67121.2 Ų121.247%0.46961%0.611SS.*Hα-helixtrans-64.5-39.3175.866.30000111.7H272 Y273 A279 S280H272-S276 WeakPolarHBondContact O-CB 3.41Å; H272-S276 PolarHBondContact O-N 3.48Å; H272-S276 PolarHBondContact O-OG 3.48Å; Y273-S276 PolarHBondContact O-OG 3.44Å; S276-A279 PolarHBondContact O-N 3.25Å; S276-S280 PolarHBondContact O-N 3.01Å; S276-S280 PolarHBondContact O-OG 3Å
277H65.7Low68.3Low102 Ų102124.6 Ų124.647%0.47263%0.632SS.*Hα-helixtrans-70.3-34177.8-147.735.1000112.8Y273 E275 A279 S280 L281Y273-H277 WeakPolarHBondContact O-CB 3.45Å; Y273-H277 PolarHBondContact O-N 3.41Å; E275-H277 VanDerWaalsContact C-N 3.34Å; E275-H277 PolarHBondContact O-N 3.43Å; H277-A279 VanDerWaalsContact C-N 3.34Å; H277-S280 WeakPolarHBondContact CA-OG 3.23Å; H277-S280 PolarHBondContact ND1-OG 3.02Å; H277-S280 PolarHBondContact O-OG 3.13Å; H277-L281 PolarHBondContact O-N 3.46Å
278K65.9Low66.8Low165 Ų165127.1 Ų127.172%0.71765%0.646SS**Hα-helixtrans-68.4-32.9171.8-169.3178.5-178.9-174.10112.1K274 E275K274-K278 WeakPolarHBondContact O-CB 3.4Å; K274-K278 PolarHBondContact O-N 3.4Å; K274-K278 VanDerWaalsContact O-N 3.07Å; E275-K278 PolarHBondContact O-N 3.24Å
279A61.2Low64.9Low68 Ų68128.5 Ų128.556%0.56266%0.657SS**Hα-helixtrans-74.2-38.2174.800000112.4E275 S276 H277 L281 R282E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.49Å; S276-A279 PolarHBondContact O-N 3.25Å; H277-A279 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 3.34Å; A279-R282 PolarHBondContact O-N 3.05Å
280S58Low63.7Low72 Ų72127.9 Ų127.950%0.50366%0.662SS.*Hα-helixtrans-67.7-21.8176.960.50000114S276 H277 R282S276-S280 PolarHBondContact O-N 3.01Å; S276-S280 PolarHBondContact O-OG 3Å; H277-S280 WeakPolarHBondContact CA-OG 3.23Å; H277-S280 PolarHBondContact ND1-OG 3.02Å; H277-S280 PolarHBondContact O-OG 3.13Å; S280-R282 VanDerWaalsContact C-N 3.26Å; S280-R282 PolarHBondContact O-N 3.44Å
281L55.6Low62.7Low135 Ų135127 Ų12771%0.70766%0.66SS**THydrogen-bonded Turntrans-77.7-3.9174.9-99.3150.2000114H277 A279H277-L281 PolarHBondContact O-N 3.46Å; A279-L281 PolarHBondContact O-N 3.34Å
282R52.8Low61.7Low218 Ų218126.2 Ų126.282%0.82367%0.666SS**  trans-100.680.2170-71-164.1175.4-166.1-0.6110A279 S280A279-R282 PolarHBondContact O-N 3.05Å; S280-R282 VanDerWaalsContact C-N 3.26Å; S280-R282 PolarHBondContact O-N 3.44Å
283L56.3Low60.3Low149 Ų149127.6 Ų127.678%0.7867%0.671SS**PPolyproline II helixtrans-68144161.8-82.8114.3000109.8
284P55.3Low59.1Low103 Ų103123.5 Ų123.567%0.66966%0.664SS**PPolyproline II helixtrans-66.2141.4168.928.6-31.2000109.2T286P284-T286 PolarHBondContact O-N 2.98Å
285P49.2Very low57.6Low130 Ų130124.1 Ų124.184%0.84467%0.667SS**PPolyproline II helixtrans-65.8124.5179.527.4-31.9000109.4
286T52.5Low56.3Low86 Ų86125.6 Ų125.653%0.52868%0.678SS.*PPolyproline II helixtrans-76.6147.6165.148.80000108.8P284 N288P284-T286 PolarHBondContact O-N 2.98Å; T286-N288 PolarHBondContact O-N 3.36Å
287P54.7Low55.4Low132 Ų132126.7 Ų126.786%0.85769%0.686SS**THydrogen-bonded Turntrans-69.9-1.1-164.6-17.931.4000116
288N55.2Low54.8Low149 Ų149131.3 Ų131.380%0.79770%0.704SS**THydrogen-bonded Turntrans-130.814.3-167.4-83-9.2000115.9T286 V290T286-N288 PolarHBondContact O-N 3.36Å; N288-V290 PolarHBondContact O-N 3.43Å
289D48.2Very low54Low137 Ų137131.7 Ų131.773%0.73371%0.706SS**  trans-82.9102.6173.8-78.7-8.6000111.2N291D289-N291 PolarHBondContact O-N 3.4Å
290V60.1Low53.7Low131 Ų131138 Ų13879%0.79472%0.721SS**  trans-70.4108171.2-179.80000108.9N288 I292N288-V290 PolarHBondContact O-N 3.43Å; V290-I292 PolarHBondContact O-N 3.16Å; V290-I292 VanDerWaalsContact O-N 3.1Å
291N56.3Low53.7Low115 Ų115142.2 Ų142.262%0.61573%0.733SS**  trans-77.695.6-176.7-145.1-30.9000110.2D289 F293 S294D289-N291 PolarHBondContact O-N 3.4Å; N291-F293 PolarHBondContact O-N 3.13Å; N291-S294 WeakPolarHBondContact O-CB 3.48Å; N291-S294 PolarHBondContact O-N 2.98Å; N291-S294 PolarHBondContact O-OG 3.1Å
292I59.5Low54.2Low137 Ų137137.3 Ų137.370%0.70371%0.714SS**G310 helixtrans-60.8-17.9-174.4-118.6163.8000113.8V290V290-I292 PolarHBondContact O-N 3.16Å; V290-I292 VanDerWaalsContact O-N 3.1Å
293F52.6Low54.6Low150 Ų150136.3 Ų136.366%0.65871%0.712SS**G310 helixtrans-86.7-3.3176.9-65.2-73.4000114.3N291 F295 L296N291-F293 PolarHBondContact O-N 3.13Å; F293-F295 PolarHBondContact O-N 3.2Å; F293-L296 HydrophobicContact CD1-CD1 4.28Å; F293-L296 PolarHBondContact O-N 3.49Å
294S51.8Low54.7Low63 Ų63135.1 Ų135.144%0.44171%0.706SS.*G310 helixtrans-67.8-21.517674.70000113N291 L296 S297N291-S294 WeakPolarHBondContact O-CB 3.48Å; N291-S294 PolarHBondContact O-N 2.98Å; N291-S294 PolarHBondContact O-OG 3.1Å; S294-L296 VanDerWaalsContact C-N 3.28Å; S294-L296 PolarHBondContact O-N 2.93Å; S294-S297 PolarHBondContact O-N 3.18Å; S294-S297 PolarHBondContact O-OG 3.33Å
295F47.3Very low55.3Low177 Ų177133.5 Ų133.578%0.77669%0.692SS**G310 helixtrans-76.3-13177.2-79.4-83.5000113.9F293F293-F295 PolarHBondContact O-N 3.2Å
296L50Low56.1Low151 Ų151131.5 Ų131.579%0.79167%0.674SS**G310 helixtrans-93.5-0.9174.6-74.3169.2000113.5F293 S294F293-L296 HydrophobicContact CD1-CD1 4.28Å; F293-L296 PolarHBondContact O-N 3.49Å; S294-L296 VanDerWaalsContact C-N 3.28Å; S294-L296 PolarHBondContact O-N 2.93Å
297S55.6Low56.6Low91 Ų91131.7 Ų131.764%0.63667%0.671SS**  trans-106.910.9-179.582.70000115.2S294 K299S294-S297 PolarHBondContact O-N 3.18Å; S294-S297 PolarHBondContact O-OG 3.33Å; S297-K299 PolarHBondContact O-N 3.2Å
298K52.2Low57Low198 Ų198133.1 Ų133.186%0.86166%0.663SS**  trans-72.974.7165.2-90.3-173.3177179.10109.4K300K298-K300 PolarHBondContact O-N 3.01Å; K298-K300 VanDerWaalsContact O-N 3.11Å
299K49.9Very low57.5Low173 Ų173132.2 Ų132.275%0.75265%0.654SS**  trans-61.7110.9164.9-164.2-177.9-177.1-167.60106.4S297 E301S297-K299 PolarHBondContact O-N 3.2Å; K299-E301 PolarHBondContact O-N 2.77Å; K299-E301 VanDerWaalsContact O-N 3.14Å
300K53.8Low58.1Low201 Ų201131.1 Ų131.187%0.87465%0.648SS**PPolyproline II helixtrans-55116.8169.9-125.3175.7179.9178.90106.8K298 G302K298-K300 PolarHBondContact O-N 3.01Å; K298-K300 VanDerWaalsContact O-N 3.11Å; K300-G302 PolarHBondContact O-N 3.41Å; K300-G302 VanDerWaalsContact O-N 3.11Å
301E59.8Low58Low161 Ų161127 Ų12775%0.75263%0.632SS**PPolyproline II helixtrans-56118.3175.1-70.4175.9172.100108.1K299K299-E301 PolarHBondContact O-N 2.77Å; K299-E301 VanDerWaalsContact O-N 3.14Å
302G65.6Low58Low31 Ų31125.8 Ų125.832%0.3263%0.632SS.*PPolyproline II helixtrans-82.2160.317900000110.2K300 N304 D305K300-G302 PolarHBondContact O-N 3.41Å; K300-G302 VanDerWaalsContact O-N 3.11Å; G302-N304 PolarHBondContact O-N 2.98Å; G302-D305 PolarHBondContact N-OD2 2.97Å; G302-D305 PolarHBondContact O-N 3.24Å
303Y60.9Low57.8Low197 Ų197128.2 Ų128.277%0.77364%0.638SS**Hα-helixtrans-49.4-25.8173.1-153.7-95.9000113I307Y303-I307 HydrophobicContact CD1-CD1 3.76Å; Y303-I307 HydrophobicContact CD1-CG1 4.42Å; Y303-I307 HydrophobicContact CE1-CD1 4.07Å; Y303-I307 WeakPolarHBondContact O-CG1 3.3Å; Y303-I307 PolarHBondContact O-N 3.04Å
304N58.3Low57.7Low124 Ų124127.6 Ų127.666%0.66364%0.641SS**Hα-helixtrans-72-28.6175.1-101.1-37.4000115.4G302 K308G302-N304 PolarHBondContact O-N 2.98Å; N304-K308 PolarHBondContact O-N 3.35Å
305D67.3Low57.6Low69 Ų69133.7 Ų133.737%0.36966%0.663SS.*Hα-helixtrans-76.7-32.7178-65.6-38.7000110.6G302 K308 Q309G302-D305 PolarHBondContact N-OD2 2.97Å; G302-D305 PolarHBondContact O-N 3.24Å; D305-K308 PolarHBondContact O-N 3.22Å; D305-Q309 PolarHBondContact O-N 2.94Å; D305-Q309 VanDerWaalsContact O-N 3.13Å
306L66.9Low57.6Low89 Ų89128.1 Ų128.147%0.46666%0.656SS.*Hα-helixtrans-65.6-41.7170.5-87.8142000112.7K308 Q309 I310L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.39Å; L306-Q309 PolarHBondContact O-N 3.19Å; L306-I310 VanDerWaalsContact O-CG1 3.32Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 3.42Å; L306-I310 VanDerWaalsContact O-N 3.09Å
307I63.2Low57.1Low89 Ų89127.7 Ų127.746%0.45665%0.654SS.*Hα-helixtrans-65.1-38.3176.8-67.4166.6000111Y303 I310 G311Y303-I307 HydrophobicContact CD1-CD1 3.76Å; Y303-I307 HydrophobicContact CD1-CG1 4.42Å; Y303-I307 HydrophobicContact CE1-CD1 4.07Å; Y303-I307 WeakPolarHBondContact O-CG1 3.3Å; Y303-I307 PolarHBondContact O-N 3.04Å; I307-I310 PolarHBondContact O-N 2.93Å; I307-G311 PolarHBondContact O-N 3.14Å
308K62.8Low56.1Low162 Ų162130.7 Ų130.770%0.70466%0.658SS**Hα-helixtrans-64.4-37.6174.1-92.6-178.1174.4178.40113N304 D305 L306 G311 S312N304-K308 PolarHBondContact O-N 3.35Å; D305-K308 PolarHBondContact O-N 3.22Å; L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.39Å; K308-G311 PolarHBondContact O-N 2.97Å; K308-S312 PolarHBondContact O-N 3.12Å; K308-S312 PolarHBondContact O-OG 3.03Å
309Q64.9Low55.2Low130 Ų130131.5 Ų131.561%0.60766%0.655SS**Hα-helixtrans-68.1-37.5177.6-161.1175.914.200111.7D305 L306 S312 K313D305-Q309 PolarHBondContact O-N 2.94Å; D305-Q309 VanDerWaalsContact O-N 3.13Å; L306-Q309 PolarHBondContact O-N 3.19Å; Q309-S312 PolarHBondContact O-N 3.24Å; Q309-S312 PolarHBondContact O-OG 3.49Å; Q309-K313 PolarHBondContact O-N 2.88Å
310I60.3Low54.3Low115 Ų115130.2 Ų130.259%0.5966%0.662SS**Hα-helixtrans-67.6-39.6174.6-63.7164.1000111.1L306 I307 S312 K313L306-I310 VanDerWaalsContact O-CG1 3.32Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 3.42Å; L306-I310 VanDerWaalsContact O-N 3.09Å; I307-I310 PolarHBondContact O-N 2.93Å; I310-S312 PolarHBondContact O-N 3.15Å; I310-K313 PolarHBondContact O-N 3.36Å
311G58.8Low53.2Low45 Ų45124.3 Ų124.346%0.46466%0.659SS.*Hα-helixtrans-63-39.3174.800000113.5I307 K308 K313I307-G311 PolarHBondContact O-N 3.14Å; K308-G311 PolarHBondContact O-N 2.97Å; G311-K313 VanDerWaalsContact C-N 3.3Å; G311-K313 PolarHBondContact O-N 3.4Å
312S57.4Low51.7Low89 Ų89124.1 Ų124.162%0.62266%0.663SS**Hα-helixtrans-73.2-16.3-179.3680000115K308 Q309 I310K308-S312 PolarHBondContact O-N 3.12Å; K308-S312 PolarHBondContact O-OG 3.03Å; Q309-S312 PolarHBondContact O-N 3.24Å; Q309-S312 PolarHBondContact O-OG 3.49Å; I310-S312 PolarHBondContact O-N 3.15Å
313K54.6Low50Low188 Ų188126.9 Ų126.982%0.81768%0.677SS**THydrogen-bonded Turntrans-92.2-9.4-177.9-140.6174.3-175.9178.80113.3Q309 I310 G311Q309-K313 PolarHBondContact O-N 2.88Å; I310-K313 PolarHBondContact O-N 3.36Å; G311-K313 VanDerWaalsContact C-N 3.3Å; G311-K313 PolarHBondContact O-N 3.4Å
314N51.3Low48.5Very low137 Ų137122.3 Ų122.373%0.73367%0.674SS**SBendtrans-102.5-7.5-177.1-112.26.8000114.6G316N314-G316 PolarHBondContact O-N 3.23Å; N314-G316 VanDerWaalsContact O-N 3.13Å
315E48.3Very low47.3Very low190 Ų190125.3 Ų125.389%0.88868%0.681SS**THydrogen-bonded Turntrans-85.735175.8-71.3-163.7155.400113.5
316G47.8Very low45.6Very low61 Ų61131.9 Ų131.963%0.62971%0.706SS**THydrogen-bonded Turntrans-130.726.5177.400000113.4N314N314-G316 PolarHBondContact O-N 3.23Å; N314-G316 VanDerWaalsContact O-N 3.13Å
317N39.1Very low43.9Very low142 Ų142132.3 Ų132.376%0.75972%0.723SS**SBendtrans-164.7125.9163.6-107.5-10.7000114
318H35.5Very low42.4Very low154 Ų154136.8 Ų136.871%0.71374%0.739SS**  trans73.5107.2157.1-78.5-48.2000123.5
319R33.8Very low40.8Very low214 Ų214135.1 Ų135.181%0.80874%0.738SS**  55.1139.4116.5-76-172.4-178.9179.90.1122.3
320T30.9Very low39.1Very low146 Ų146136.7 Ų136.790%0.89675%0.747SS**  trans86.6134.515659.30000120.2
321G29.8Very low37.7Very low78 Ų78136.4 Ų136.480%0.80476%0.755SS**  trans113.387.9143.200000118.4
322D28.8Very low36.3Very low156 Ų156145.1 Ų145.183%0.83477%0.774SS**  trans25.3141.6137.5-149.910.6000124
323S30.3Very low35.2Very low89 Ų89146.5 Ų146.562%0.62278%0.784SS**  trans80.9104.5145.277.50000122.7
324S29.1Very low34.4Very low102 Ų102146.5 Ų146.571%0.71378%0.784SS**  93.3136.8121.793.50000121.8
325K32.4Very low33.4Very low187 Ų187145.8 Ų145.881%0.81379%0.79SS**  trans95101.7149.9-69.8176.2-176.3172.50119.9
326K31.7Very low32.7Very low206 Ų206141.7 Ų141.790%0.89678%0.781SS**  76.2104.2127.3-80.3-172.9174.5-1790118.6
327A31.8Very low32.1Very low99 Ų99146.4 Ų146.482%0.81879%0.792SS**  trans-59145.316100000114.2
328K30.9Very low31.9Very low183 Ų183147.8 Ų147.880%0.79680%0.799SS**  -159.4145.1123.5-124.9-174.7176.1179.90111.9
329D29Very low31.9Very low126 Ų126145 Ų14567%0.67480%0.803SS**  trans91.3115.9151.3-58.3-28.5000121.5
330M29.4Very low32.2Very low163 Ų163141.1 Ų141.180%0.80381%0.805SS**  trans98.4103.4130.3-88.9162.849.900120.2
331S30.8Very low32.4Very low109 Ų109141.9 Ų141.976%0.76280%0.799SS**  60.6103.7126.962.30000118.3
332R29.7Very low32.7Very low228 Ų228147.4 Ų147.486%0.8680%0.801SS**  trans-138.4108.6153.6-152.7171.599.4139.72.9111.6
333S35Very low33.2Very low118 Ų118146.6 Ų146.683%0.82580%0.797SS**  trans-58.4128.7165.529.70000110.7
334K37.6Very low34Very low189 Ų189146.3 Ų146.382%0.82281%0.808SS**  trans-98.8113.1163.9-74.3-177.71771800107.8
335S29.2Very low34.6Very low121 Ų121149.8 Ų149.885%0.84681%0.812SS**  trans-105.5108.7157.6-178.70000105.7
336C35Very low35.2Very low105 Ų105146.1 Ų146.171%0.70981%0.806SS**  trans-84122.3174.8-55.40000108.4
337N35Very low36Very low159 Ų159144 Ų14485%0.8580%0.803SS**  trans-16784150-98.5-9.2000107.5
338D35.1Very low36.5Very low172 Ų172145.2 Ų145.292%0.9280%0.795SS**  trans-127.5116.4158.6-76.7-35.2000106.4
339A35.1Very low37Very low96 Ų96141 Ų14179%0.79379%0.788SS**  trans-116.4131.2161.600000107.1
340P39.8Very low37.8Very low131 Ų131142.7 Ų142.785%0.85180%0.796SS**  trans-86.1144.7-175.533.1-31.8000112
341E35.7Very low38.7Very low163 Ų163142.3 Ų142.376%0.76280%0.797SS**  trans-77.7141.6173.2-66.5-177149.500111.7
342F35.4Very low39.6Very low193 Ų193147.4 Ų147.485%0.84680%0.8SS**  trans-139.1129.8163.7-144.3-93.8000109.5
343N38.4Very low40Very low140 Ų140140 Ų14075%0.74978%0.784SS**SBendtrans5963.7177.1-80.12.7000118.3H345N343-H345 PolarHBondContact O-N 3.34Å
344G48.6Very low40.3Very low83 Ų83140.8 Ų140.886%0.85679%0.785SS**SBendtrans65.84.3143.500000119.2
345H41.3Very low40.7Very low174 Ų174143.2 Ų143.281%0.80679%0.79SS**  trans-124111.5171.8-78.7-72.7000110.3N343 I347N343-H345 PolarHBondContact O-N 3.34Å; H345-I347 PolarHBondContact O-N 3.07Å
346T45.4Very low41.2Very low110 Ų110145.1 Ų145.168%0.67579%0.785SS**  trans-68.6112.8171.2-44.10000109.3L348T346-L348 PolarHBondContact O-N 2.95Å; T346-L348 VanDerWaalsContact O-N 3.15Å
347I47.4Very low41.6Very low163 Ų163149.5 Ų149.584%0.83679%0.792SS**  trans-72.8103.8166.5-60.1175.6000107.1H345 S349H345-I347 PolarHBondContact O-N 3.07Å; I347-S349 PolarHBondContact O-N 2.97Å
348L42.5Very low42.2Very low124 Ų124152.8 Ų152.865%0.64979%0.792SS**  trans-63.1121.8167.1-92.6136.4000109T346 R352T346-L348 PolarHBondContact O-N 2.95Å; T346-L348 VanDerWaalsContact O-N 3.15Å; L348-R352 HydrophobicContact CD2-CB 4.06Å
349S40.7Very low42.4Very low94 Ų94155.5 Ų155.566%0.65779%0.79SS**  trans-58.9143.5161.461.60000109.2I347 D351I347-S349 PolarHBondContact O-N 2.97Å; S349-D351 PolarHBondContact O-N 2.84Å
350L46.7Very low43Very low162 Ų162160.2 Ų160.285%0.84879%0.789SS**THydrogen-bonded Turntrans-72.330.6-164.3-145.1121.9000114.6
351D48.3Very low43.3Very low154 Ų154157 Ų15782%0.82477%0.769SS**THydrogen-bonded Turntrans-108.62.4179.9-87.4-22.2000113.7S349S349-D351 PolarHBondContact O-N 2.84Å
352R50.2Low43.9Very low216 Ų216157.5 Ų157.582%0.81577%0.769SS**  trans-130.636-178.8-75.9-172.1175.8177-0.1115.3L348L348-R352 HydrophobicContact CD2-CB 4.06Å
353S36.8Very low44.8Very low74 Ų74151.3 Ų151.352%0.51775%0.75SS.*  trans-93.4136.9169.789.40000112.4R355S353-R355 PolarHBondContact O-N 3.19Å
354P42.8Very low45.3Very low133 Ų133148.5 Ų148.586%0.86474%0.735SS**THydrogen-bonded Turntrans-68.37.3-179.6-20.632.6000116.3
355R45.7Very low45.2Very low241 Ų241154 Ų15491%0.90973%0.73SS**THydrogen-bonded Turntrans-98.617.5-173.5-84.6-177.474.9154.2-0.4115.7S353S353-R355 PolarHBondContact O-N 3.19Å
356Q39.4Very low45.9Very low161 Ų161148.5 Ų148.575%0.75271%0.708SS**  trans-11445.8173.1-159.1153.8-10.700113.4
357K43.5Very low46.2Very low197 Ų197147.8 Ų147.886%0.85770%0.704SS**SBendtrans-99.420.4168.4-133.8178.2-173.2-179.70114
358R46.9Very low46.7Very low227 Ų227144.5 Ų144.586%0.85769%0.691SS**  trans-146.378.4170.6-71.4-169.2-129.7-1571.5111.9
359R39.8Very low47Very low229 Ų229141.5 Ų141.586%0.86468%0.684SS**  trans-145.790.6148.7-72.3-157.6-173.5-157.84108.4
360Y46.8Very low47.5Very low196 Ų196143.9 Ų143.977%0.76968%0.683SS**  trans-72.9136.6163.1-73.2-85.7000108.4
361S47.3Very low47.6Very low63 Ų63139.2 Ų139.244%0.44166%0.664SS.*  trans-67.3144.6176.3173.60000110.7S363 D364S361-S363 PolarHBondContact O-N 2.91Å; S361-S363 VanDerWaalsContact O-N 3.17Å; S361-S363 PolarHBondContact OG-N 3.33Å; S361-S363 PolarHBondContact OG-OG 3.3Å; S361-D364 WeakPolarHBondContact O-CB 3.47Å; S361-D364 PolarHBondContact O-N 3.46Å
362F47.1Very low47.3Very low174 Ų174138.6 Ų138.676%0.76365%0.654SS**Hα-helixtrans-55.4-31.1175.5-176.1-100.1000112.4D364 R365 V366F362-D364 VanDerWaalsContact C-N 3.28Å; F362-D364 PolarHBondContact O-N 3.07Å; F362-R365 PolarHBondContact O-N 3.5Å; F362-V366 HydrophobicContact CD1-CG2 4.29Å; F362-V366 HydrophobicContact CE1-CG2 4.01Å; F362-V366 HydrophobicContact CZ-CG2 4.41Å; F362-V366 WeakPolarHBondContact O-CG2 3.43Å; F362-V366 PolarHBondContact O-N 3.45Å
363S54.5Low47Very low62 Ų62131.3 Ų131.343%0.43464%0.636SS.*Hα-helixtrans-62.6-31.7174.460.20000113.6S361 T367S361-S363 PolarHBondContact O-N 2.91Å; S361-S363 VanDerWaalsContact O-N 3.17Å; S361-S363 PolarHBondContact OG-N 3.33Å; S361-S363 PolarHBondContact OG-OG 3.3Å; S363-T367 WeakPolarHBondContact O-CB 3.46Å; S363-T367 PolarHBondContact O-N 3.43Å; S363-T367 VanDerWaalsContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 3.13Å
364D49.5Very low47.1Very low81 Ų81134.5 Ų134.543%0.43364%0.641SS.*Hα-helixtrans-77.1-32.8-179-64.4-20.1000110.8S361 F362 T367 V368S361-D364 WeakPolarHBondContact O-CB 3.47Å; S361-D364 PolarHBondContact O-N 3.46Å; F362-D364 VanDerWaalsContact C-N 3.28Å; F362-D364 PolarHBondContact O-N 3.07Å; D364-T367 PolarHBondContact O-N 3.44Å; D364-V368 WeakPolarHBondContact O-CB 3.46Å; D364-V368 VanDerWaalsContact O-CG2 3.23Å; D364-V368 WeakPolarHBondContact O-CG2 3.35Å; D364-V368 PolarHBondContact O-N 3.47Å
365R46.9Very low46.8Very low199 Ų199134.4 Ų134.475%0.75163%0.633SS**Hα-helixtrans-68.2-39.2173.1-85-169.2158-170-5.8112.7F362 A369F362-R365 PolarHBondContact O-N 3.5Å; R365-A369 WeakPolarHBondContact O-CB 3.41Å; R365-A369 PolarHBondContact O-N 3.36Å
366V54.8Low46.5Very low58 Ų58132.3 Ų132.335%0.35263%0.626SS.*Hα-helixtrans-65.8-42.5176.1175.30000110.4F362 V368 A369 F370F362-V366 HydrophobicContact CD1-CG2 4.29Å; F362-V366 HydrophobicContact CE1-CG2 4.01Å; F362-V366 HydrophobicContact CZ-CG2 4.41Å; F362-V366 WeakPolarHBondContact O-CG2 3.43Å; F362-V366 PolarHBondContact O-N 3.45Å; V366-V368 PolarHBondContact O-N 3.13Å; V366-A369 PolarHBondContact O-N 3.38Å; V366-F370 HydrophobicContact CG1-CD2 3.59Å; V366-F370 HydrophobicContact CG1-CE2 3.62Å; V366-F370 WeakPolarHBondContact O-CD2 3.32Å; V366-F370 PolarHBondContact O-N 3.23Å
367T53.6Low46.5Very low95 Ų95132 Ų13258%0.58363%0.629SS**Hα-helixtrans-67.8-37.2179.6-50.90000112.5S363 D364 S371S363-T367 WeakPolarHBondContact O-CB 3.46Å; S363-T367 PolarHBondContact O-N 3.43Å; S363-T367 VanDerWaalsContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 3.13Å; D364-T367 PolarHBondContact O-N 3.44Å; T367-S371 WeakPolarHBondContact O-CB 3.45Å; T367-S371 PolarHBondContact O-N 3.42Å; T367-S371 PolarHBondContact O-OG 2.89Å
368V56.4Low46.4Very low94 Ų94128.8 Ų128.857%0.5762%0.62SS**Hα-helixtrans-75.9-32.3175.9174.60000112.1D364 V366 S371 K372D364-V368 WeakPolarHBondContact O-CB 3.46Å; D364-V368 VanDerWaalsContact O-CG2 3.23Å; D364-V368 WeakPolarHBondContact O-CG2 3.35Å; D364-V368 PolarHBondContact O-N 3.47Å; V366-V368 PolarHBondContact O-N 3.13Å; V368-S371 WeakPolarHBondContact CA-OG 3.5Å; V368-S371 PolarHBondContact O-N 3.27Å; V368-S371 PolarHBondContact O-OG 3.4Å; V368-K372 WeakPolarHBondContact O-CB 3.36Å; V368-K372 PolarHBondContact O-N 3Å
369A50Low45.5Very low61 Ų61121.5 Ų121.550%0.50462%0.615SS.*Hα-helixtrans-68.4-41.6174.100000111.9R365 V366 K372 S373R365-A369 WeakPolarHBondContact O-CB 3.41Å; R365-A369 PolarHBondContact O-N 3.36Å; V366-A369 PolarHBondContact O-N 3.38Å; A369-K372 PolarHBondContact O-N 3.09Å; A369-S373 PolarHBondContact O-N 3.49Å; A369-S373 VanDerWaalsContact O-N 3.07Å; A369-S373 PolarHBondContact O-OG 3.46Å
370F49.8Very low45.2Very low145 Ų145115.6 Ų115.664%0.63661%0.609SS**Hα-helixtrans-73-24.2175.1-81.4-69.3000113.6V366 S373 K374V366-F370 HydrophobicContact CG1-CD2 3.59Å; V366-F370 HydrophobicContact CG1-CE2 3.62Å; V366-F370 WeakPolarHBondContact O-CD2 3.32Å; V366-F370 PolarHBondContact O-N 3.23Å; F370-S373 PolarHBondContact O-OG 2.86Å; F370-K374 WeakPolarHBondContact O-CB 3.35Å; F370-K374 PolarHBondContact O-N 3.48Å
371S48.6Very low44.5Very low64 Ų64113.6 Ų113.645%0.44861%0.612SS.*Hα-helixtrans-77.5-32.5172.473.80000112.2T367 V368T367-S371 WeakPolarHBondContact O-CB 3.45Å; T367-S371 PolarHBondContact O-N 3.42Å; T367-S371 PolarHBondContact O-OG 2.89Å; V368-S371 WeakPolarHBondContact CA-OG 3.5Å; V368-S371 PolarHBondContact O-N 3.27Å; V368-S371 PolarHBondContact O-OG 3.4Å
372K43.6Very low43.8Very low140 Ų140118.2 Ų118.261%0.60963%0.632SS**Hα-helixtrans-74.6-37.7176.6-133.9177.2-176.2-174.20112.4V368 A369 K374 N375 Y376V368-K372 WeakPolarHBondContact O-CB 3.36Å; V368-K372 PolarHBondContact O-N 3Å; A369-K372 PolarHBondContact O-N 3.09Å; K372-K374 VanDerWaalsContact C-N 3.29Å; K372-K374 PolarHBondContact O-N 2.91Å; K372-N375 PolarHBondContact O-N 3.28Å; K372-Y376 WeakPolarHBondContact O-CD2 3.33Å
373S42.4Very low42.9Very low63 Ų63113.5 Ų113.544%0.44163%0.632SS.*Hα-helixtrans-69.3-26.5175.466.30000113.3A369 F370A369-S373 PolarHBondContact O-N 3.49Å; A369-S373 VanDerWaalsContact O-N 3.07Å; A369-S373 PolarHBondContact O-OG 3.46Å; F370-S373 PolarHBondContact O-OG 2.86Å
374K39.4Very low41.6Very low142 Ų142118.6 Ų118.662%0.61765%0.654SS**Hα-helixtrans-76.6-23.1178.2-157.4172.5-176.1179.60113.8F370 K372 Y376F370-K374 WeakPolarHBondContact O-CB 3.35Å; F370-K374 PolarHBondContact O-N 3.48Å; K372-K374 VanDerWaalsContact C-N 3.29Å; K372-K374 PolarHBondContact O-N 2.91Å; K374-Y376 VanDerWaalsContact C-N 3.35Å
375N37.8Very low40.7Very low131 Ų131122.6 Ų122.670%0.70167%0.674SS**THydrogen-bonded Turntrans-82.3-7.7175.6-82.5-18000114.1K372K372-N375 PolarHBondContact O-N 3.28Å
376Y37.8Very low39.7Very low197 Ų197120.3 Ų120.377%0.77368%0.676SS**SBendtrans-95.6-8.6170.4-69.6-77.3000113.3K372 K374K372-Y376 WeakPolarHBondContact O-CD2 3.33Å; K374-Y376 VanDerWaalsContact C-N 3.35Å
377L39.6Very low38.5Very low153 Ų153122.3 Ų122.380%0.80169%0.689SS**SBendtrans-105.6-3.1-178.1-106.3166.1000114.1
378L41Very low37.2Very low131 Ų131126.6 Ų126.669%0.68670%0.702SS**  trans-132.377.4173.5-92.6147.8000107.4S380L378-S380 PolarHBondContact O-N 3.26Å; L378-S380 VanDerWaalsContact O-N 3.13Å
379G29.3Very low35.9Very low73 Ų73129.4 Ų129.475%0.75371%0.714SS**  trans-60.4110162.800000108.2D381G379-D381 PolarHBondContact O-N 3.14Å
380S32.5Very low34.8Very low105 Ų105135.6 Ų135.673%0.73473%0.732SS**  trans-76.2109.4164.4-170.20000106.6L378 N382L378-S380 PolarHBondContact O-N 3.26Å; L378-S380 VanDerWaalsContact O-N 3.13Å; S380-N382 PolarHBondContact O-N 3.11Å
381D32.5Very low33.7Very low154 Ų154132.6 Ų132.682%0.82474%0.742SS**  trans-60.5117.2159.4-76.1-32.5000108.1G379G379-D381 PolarHBondContact O-N 3.14Å
382N33.3Very low32.8Very low161 Ų161139.5 Ų139.586%0.86177%0.768SS**  trans-162.5103.9154.4-93.4-22.2000106.8S380S380-N382 PolarHBondContact O-N 3.11Å
383G28Very low32Very low75 Ų75136.5 Ų136.577%0.77378%0.777SS**  trans175.797.5174.600000114.7
384L27.3Very low31.3Very low169 Ų169140.9 Ų140.989%0.88580%0.795SS**  trans87.9102.8140.7-130.881.4000119.5
385L29.3Very low31.6Very low164 Ų164138.8 Ų138.886%0.85980%0.796SS**  trans-56.8139.1150.9-87.2155.1000111.6
386L27.2Very low31.2Very low151 Ų151141.1 Ų141.179%0.79180%0.803SS**  trans-172128.4131.5-97.3169.9000112.2
387T28.1Very low30.6Very low101 Ų101141.9 Ų141.962%0.6280%0.804SS**  trans63.8110.4150.245.50000120.9
388E28.2Very low30Very low184 Ų184140.3 Ų140.386%0.8680%0.797SS**  79.9125.4105.2-75177.3146.900111.8
389D27.9Very low29.4Very low154 Ų154142.1 Ų142.182%0.82480%0.802SS**  -164161.951.8-165.711.8000111.6
390Q26.3Very low29.4Very low190 Ų190145.6 Ų145.689%0.88880%0.803SS**  trans-73.6152.4-176.7-75174.1-40.600114.2
391G27.7Very low29.3Very low82 Ų82150 Ų15085%0.84581%0.812SS**  trans-17190.4165.900000111.6
392E29.5Very low29.4Very low209 Ų209151.4 Ų151.498%0.97782%0.816SS**  trans-81.9139.7-178.9-159.4171.5-155.700110.9
393G27.6Very low29.3Very low78 Ų78155 Ų15580%0.80482%0.819SS**  trans177.2102.3175.200000113
394D27.6Very low29.4Very low155 Ų155160 Ų16083%0.82982%0.823SS**  trans-90.6-173.7-179.5-152.623.8000110.8
395P44.9Very low29.6Very low98 Ų98159.3 Ų159.364%0.63682%0.819SS**  -116167.6-9435.4-19.8000113.7
396E28.6Very low29.8Very low180 Ų180159.9 Ų159.984%0.84182%0.818SS**  trans170.6144.5134.5-98.4-176.2-179.100114
397R26.9Very low30Very low212 Ų212160.1 Ų160.180%0.882%0.819SS**  trans90.7115.5147.6-99.7-175.6151.3152.30.8123
398D27Very low30.2Very low120 Ų120163.3 Ų163.364%0.64283%0.832SS**  trans72.8122.3132.6-73.4-28.6000122.5
399Q28.6Very low30.5Very low169 Ų169164.2 Ų164.279%0.7983%0.833SS**  trans71.7122142.8-78.4179-5.400121.4
400N28.8Very low30.7Very low147 Ų147164.5 Ų164.579%0.78684%0.835SS**  trans39.1108.1138.8-69.5-11.9000117.5
401Q30.4Very low31.2Very low198 Ų198160.4 Ų160.493%0.92582%0.823SS**  trans-151.1119.8132.4-114.3161.722.400113.3
402M33.5Very low31.4Very low183 Ų183164.3 Ų164.390%0.90182%0.824SS**PPolyproline II helixtrans-71.6144.2172.7-140.1168.2-176.300108.3E404M402-E404 PolarHBondContact O-N 2.94Å
403Y32.4Very low31.5Very low236 Ų236159.9 Ų159.993%0.92581%0.811SS**PPolyproline II helixtrans-60.2121.8174.8-75.8-95.7000110.6
404E30.5Very low31.7Very low181 Ų181164.4 Ų164.485%0.84681%0.811SS**PPolyproline II helixtrans-80.8128.1177.7-159.1172.3-159.400110.1M402M402-E404 PolarHBondContact O-N 2.94Å
405N30.3Very low31.9Very low153 Ų153162.2 Ų162.282%0.81880%0.804SS**  trans-99.7111.4-177-154.612000107.6L407N405-L407 VanDerWaalsContact C-N 3.33Å; N405-L407 PolarHBondContact O-N 3.38Å
406Q32.9Very low31.1Very low176 Ų176166.9 Ų166.982%0.82281%0.814SS**  trans-84.766.3-173.9-68.2-169.616.700113.3
407L32.9Very low31.2Very low156 Ų156162.9 Ų162.982%0.81781%0.812SS**  trans-140.183.4160.9-108.4106.6000108.6N405N405-L407 VanDerWaalsContact C-N 3.33Å; N405-L407 PolarHBondContact O-N 3.38Å
408D32Very low31.3Very low169 Ų169157.9 Ų157.990%0.90482%0.816SS**  trans-176.9116.3144.1-94.1-15.6000106.9
409K34.6Very low31.3Very low203 Ų203155.7 Ų155.788%0.88382%0.822SS**  trans-143.895.2176.3-151.7-177.2-168178.60108.5
410D32.5Very low31.3Very low159 Ų159155.4 Ų155.485%0.8583%0.826SS**  trans-146.6138.2161-80.1-30000103.6
411V36.3Very low31.2Very low105 Ų105153.6 Ų153.664%0.63682%0.823SS**  cis-177.3156.115.9142.80000103.9V413V411-V413 HydrophobicContact CG1-CG2 3.89Å
412D31.5Very low31Very low163 Ų163147.6 Ų147.687%0.87281%0.814SS**  trans-158.6116.4152.8-84.2-38.8000107.3
413V32.6Very low30.8Very low117 Ų117146.1 Ų146.171%0.70982%0.815SS**  73.4112.556.7-176.80000114.8V411V411-V413 HydrophobicContact CG1-CG2 3.89Å
414E31.4Very low30.6Very low172 Ų172138.6 Ų138.680%0.80481%0.81SS**  trans-177.8143.5130.6-99.9-176178.200106.7
415T30.3Very low30.5Very low109 Ų109134 Ų13467%0.66981%0.811SS**  cis-165.215533.5-13.20000111.3
416K29.8Very low30.3Very low197 Ų197137 Ų13786%0.85781%0.811SS**  trans76.9121.2145.1-82.4170.5-178.7172.80123
417A29.3Very low30.1Very low96 Ų96138.3 Ų138.379%0.79381%0.808SS**  107.6114.3126.500000119.9
418A29.9Very low29.7Very low107 Ų107136.2 Ų136.288%0.88480%0.802SS**  trans65.9125.2136.200000121.7
419G27.8Very low29.7Very low74 Ų74139.2 Ų139.276%0.76380%0.801SS**  110.2105123.300000118.7
420D27.2Very low29.2Very low163 Ų163136.7 Ų136.787%0.87280%0.797SS**  trans77.7165.4131.2-137.923000121.2
421C26.6Very low29.3Very low109 Ų109133.1 Ų133.174%0.73678%0.784SS**  trans-101.2171.5-140.748.20000117
422G27.1Very low28.9Very low71 Ų71136.5 Ų136.573%0.73279%0.791SS**  trans118.9114.2145.100000119.9
423V29.5Very low28.8Very low152 Ų152136.7 Ų136.792%0.92179%0.786SS**  trans36.2121.1130.7-172.90000120.9
424G27.3Very low28.6Very low79 Ų79141.3 Ų141.381%0.81479%0.792SS**  82.6130.5129.800000118.8
425G27.9Very low28.5Very low85 Ų85142.1 Ų142.188%0.87680%0.796SS**  trans159.9118164.600000115.5
426R26.6Very low28.5Very low214 Ų214141.5 Ų141.581%0.80879%0.794SS**  trans-91.5161.1-176.7-152.9-175.3-153-144.17.2110.5
427R28.5Very low28.7Very low204 Ų204140.8 Ų140.877%0.7780%0.798SS**  trans84.2147.8157.1-61.1-168.7-146.2-1654.7116.4
428T25.7Very low28.7Very low113 Ų113141.8 Ų141.869%0.69380%0.795SS**  cis-171.5148.55.218.40000108.9
429W30.4Very low28.8Very low231 Ų231144.9 Ų144.988%0.87580%0.795SS**  trans2136.5148.9-60.580.7000120.2
430D25.5Very low29Very low150 Ų150149.1 Ų149.180%0.80280%0.795SS**  -160.4150.5111.1-147.5-2.6000113.4
431S34Very low29.4Very low84 Ų84148.9 Ų148.959%0.58779%0.793SS**  trans-110.1139.8-175.240.60000110.8
432K28.5Very low29.9Very low177 Ų177148.3 Ų148.377%0.7780%0.796SS**  trans-179.4140.7161.7-102168.8-177.6-178.10106.9
433E28.9Very low30.2Very low167 Ų167152.3 Ų152.378%0.7880%0.801SS**  cis-169.11460.9-127.1162.2-154.900104.9
434Y28.8Very low30.7Very low213 Ų213152.7 Ų152.784%0.83580%0.796SS**  trans-79.9146.3175.1-109.2-102.2000110.9
435H28.6Very low30.9Very low190 Ų190153.2 Ų153.288%0.8878%0.784SS**  trans-159.7135.3133.3-100.9-58.5000112.4
436P29.8Very low31Very low95 Ų95157.8 Ų157.862%0.61778%0.78SS**  trans-97.2150-175.137.2-31.2000112.8
437L35Very low31.5Very low182 Ų182154.9 Ų154.995%0.95378%0.779SS**  trans-96.8114.1172.9-79.7165.3000111.3
438T29Very low31.8Very low118 Ų118152.3 Ų152.372%0.72478%0.78SS**  trans-78138.8173.4-23.90000110.9
439I33Very low32.7Very low171 Ų171155.9 Ų155.988%0.87779%0.789SS**  trans-111.6117.1157.1-63.7176.7000107.4
440Q31.9Very low33.2Very low164 Ų164153.2 Ų153.277%0.76679%0.786SS**  trans-82.9142.9174.2-88.2173.6-20.600111.1
441N35.8Very low33.7Very low157 Ų157153.1 Ų153.184%0.8479%0.786SS**  trans76.583.5160.9-59.3-15.7000118.5
442A36.7Very low33.7Very low97 Ų97158.6 Ų158.680%0.80280%0.8SS**  trans-135.2112.214500000109.3
443N33.9Very low34Very low155 Ų155158.3 Ų158.383%0.82981%0.806SS**  trans-86.4104.9178.9-176.824.5000109.6
444I38.1Very low34.2Very low161 Ų161155.8 Ų155.883%0.82681%0.806SS**  trans-142.6117167-55.1179.3000108.7
445T33Very low34.1Very low90 Ų90150.1 Ų150.155%0.55280%0.798SS**  trans-87.6136.9172.1470000111.1
446F29.4Very low34.2Very low180 Ų180148.4 Ų148.479%0.78980%0.795SS**  168.1124.2108.2-85.9-66.1000113.8
447I37.8Very low34.3Very low153 Ų153151.3 Ų151.379%0.78580%0.804SS**  trans70.6105.3144-50.7163.1000117.8
448D33.8Very low34.1Very low150 Ų150150.7 Ų150.780%0.80280%0.797SS**  trans-103.8142.1162.9-153.9-6.9000109.5E450D448-E450 PolarHBondContact O-N 2.79Å
449E45Very low34.2Very low189 Ų189153.7 Ų153.788%0.88380%0.803SS**THydrogen-bonded Turntrans-94.722.9-153.4-147.5172.3-167.900114.5
450E40.1Very low34Very low174 Ų174153.5 Ų153.581%0.81380%0.803SS**THydrogen-bonded Turntrans-118.98.6-168.8-67.9-164.6161.100116.7D448D448-E450 PolarHBondContact O-N 2.79Å
451N37.2Very low34Very low148 Ų148152.8 Ų152.879%0.79180%0.804SS**SBendtrans-107.536.3-178.8-14922.7000115.6
452F33.1Very low33.7Very low200 Ų200152.1 Ų152.188%0.87780%0.8SS**SBendtrans-124.67178.1-123.7-84.1000116
453L35.5Very low33.4Very low171 Ų171155.6 Ų155.690%0.89580%0.8SS**SBendtrans-133.81.1-173.5-76.1177.8000118.4
454S32.8Very low33.1Very low113 Ų113154.9 Ų154.979%0.7980%0.796SS**SBendtrans-163.176.3-179.957.40000114.8
455S27Very low32.7Very low94 Ų94151.3 Ų151.366%0.65779%0.791SS**SBendtrans174.4139.6144.651.30000109.6
456N30.1Very low32.5Very low155 Ų155154.7 Ų154.783%0.82981%0.805SS**  trans102.623.9179.4-48.92.2000114.8
457L31.8Very low32.4Very low155 Ų155153 Ų15381%0.81280%0.804SS**SBend-75.7128.4124-130.686.4000106.1
458E30.5Very low32.1Very low169 Ų169151.7 Ų151.779%0.7980%0.799SS**  trans84.6103.7164.8-61.6172.1-172.800118.8
459E31.5Very low32Very low182 Ų182148.9 Ų148.985%0.8579%0.791SS**  165.7120.7123-89.1178.7-178.500106.9
460L29Very low31.3Very low167 Ų167149.3 Ų149.387%0.87479%0.79SS**  -152.8141.668.7-75.3158.4000112.1
461D31Very low30.7Very low148 Ų148145.2 Ų145.279%0.79179%0.786SS**  trans-87163.7168.1-90-31.7000112.5
462D30.5Very low30.3Very low144 Ų144147.2 Ų147.277%0.7779%0.788SS**  trans107.3115.6146.7-64.9-30.2000122.3
463E30.3Very low30Very low169 Ų169144.9 Ų144.979%0.7978%0.783SS**  trans96.3124.9139-72.7-177.6177.800122.9
464D28.2Very low29.5Very low141 Ų141141.1 Ų141.175%0.75477%0.771SS**  trans91108148.5-60.8-21.9000123.4
465A29.4Very low29.2Very low86 Ų86142.7 Ų142.771%0.71177%0.769SS**  60.1119.4121.200000121.4
466D27.9Very low29.1Very low160 Ų160143.6 Ų143.686%0.85677%0.771SS**  trans54.8119.4134.4-60.5-22.5000121.6
467D28.8Very low29Very low144 Ų144142.1 Ų142.177%0.7777%0.767SS**  118.7116.6122.2-139.226.1000119.9
468D29.7Very low28.7Very low127 Ų127139.5 Ų139.568%0.67976%0.761SS**  trans54.5118.9136.5-87.4-4.8000125.5
469S31.9Very low28.5Very low91 Ų91138.4 Ų138.464%0.63676%0.761SS**  55.7130.8106.8101.50000121
470K30.8Very low28.4Very low197 Ų197137.3 Ų137.386%0.85776%0.756SS**  trans65120.1144.3-105.8176.2178.91740120
471A28.2Very low28.3Very low89 Ų89135.6 Ų135.674%0.73675%0.747SS**  trans-8.5130.4140.900000118.5
472K27.6Very low28.1Very low190 Ų190135.4 Ų135.483%0.82675%0.745SS**  trans89.6120.3131.2-101.9-175.2175.1-177.40119.4
473I27.4Very low28Very low150 Ų150136 Ų13677%0.76974%0.743SS**  trans111.3137.9135.5-62.1157.1000115.9
474S24.8Very low27.8Very low92 Ų92133.6 Ų133.664%0.64374%0.74SS**  trans-82.9170.6-164.749.40000116.7
475I27.5Very low27.7Very low146 Ų146133.4 Ų133.475%0.74974%0.739SS**  trans109.396.3152.1-58.5165.8000113.3
476T24.9Very low27.7Very low113 Ų113133.7 Ų133.769%0.69374%0.736SS**  74.3128.194.7-7.90000117.3
477T27Very low27.7Very low124 Ų124135.2 Ų135.276%0.76173%0.73SS**  trans63.6153.3158.456.30000118.1
478C26.1Very low27.7Very low101 Ų101134.5 Ų134.568%0.68272%0.722SS**  cis-173.6155.3-17.2-950000104.8
479D27Very low27.7Very low146 Ų146133.9 Ų133.978%0.78172%0.718SS**  trans71.3135.3149.7-68.9-28000125
480E27.9Very low27.6Very low159 Ų159137.4 Ų137.474%0.74373%0.725SS**  trans77.7118134.9-79.5-167.715100124.4
481N27.2Very low27.4Very low130 Ų130132.5 Ų132.570%0.69572%0.715SS**  66.2145.3121.3-74.5-22.7000123.9
482I27.7Very low27.3Very low144 Ų144132.9 Ų132.974%0.73871%0.712SS**  trans101102.5148.7-68.8150.4000119.6
483E26.9Very low27.3Very low158 Ų158131.8 Ų131.874%0.73871%0.71SS**  56131.7122.7-73.2-173.9148.800124.9
484T27.3Very low27.3Very low117 Ų117129.8 Ų129.872%0.71871%0.709SS**  trans73.7144.1135.265.30000117.1
485N26.3Very low27.6Very low137 Ų137133 Ų13373%0.73372%0.719SS**  cis-166.1154.518.8-146.2-10.9000109.7
486S27.9Very low27.6Very low93 Ų93129.6 Ų129.665%0.6572%0.719SS**  trans63.4139.4143.366.20000119.6
487R29Very low27.8Very low192 Ų192129.6 Ų129.673%0.72572%0.724SS**  cis-177.2145.88.8-117172.2125.299.214.5107
488E29.3Very low27.9Very low129 Ų129129.7 Ų129.760%0.60372%0.724SS**  trans52.6139.6133.7-69.5169.8179.300119.3
489D29Very low28Very low114 Ų114133.6 Ų133.661%0.6173%0.73SS**  cis-179.3155.2-5.7-118.3-11.4000106.8
490Q28.9Very low28.1Very low164 Ų164132.2 Ų132.277%0.76673%0.726SS**  trans67.9142.7140.2-69.8170.836.400118.8
491S27.3Very low28.2Very low94 Ų94129.3 Ų129.366%0.65772%0.724SS**  cis-172.613711.238.50000106.8
492S27.1Very low28.3Very low97 Ų97130.7 Ų130.768%0.67873%0.731SS**  69.8147.1104.6101.40000114.1
493E26.9Very low28.3Very low167 Ų167127 Ų12778%0.7873%0.729SS**  cis-172.9134.92.6-117.3165169.200104.4
494C27.1Very low28.5Very low109 Ų109124.7 Ų124.774%0.73673%0.73SS**  65.3129.4107-86.40000120
495D31.3Very low28.7Very low160 Ų160127.4 Ų127.486%0.85674%0.735SS**  trans80.9123.3141.6-64.2-10.4000123.8
496G28.1Very low29.3Very low74 Ų74129.1 Ų129.176%0.76374%0.738SS**  118.4112.3115.600000120.2
497S27.9Very low29.6Very low112 Ų112128.6 Ų128.678%0.78375%0.747SS**  trans77.4105.3130.2-178.80000123.3
498V30.3Very low30.2Very low126 Ų126126.3 Ų126.376%0.76474%0.744SS**  54.5119.8114.9-1790000122.2
499F26.5Very low30.7Very low184 Ų184123.5 Ų123.581%0.80774%0.739SS**  trans96.2118.9145.9-101.8-120.6000124.4
500T30.7Very low31.2Very low116 Ų116127.2 Ų127.271%0.71275%0.746SS**  trans83.6119.5140.247.90000124.8
501S30Very low32.2Very low99 Ų99126.3 Ų126.369%0.69274%0.742SS**  trans81.3127.1134.5-113.10000122.8
502D29Very low33.2Very low158 Ų158128 Ų12885%0.84574%0.737SS**  trans81.9125.2142.3-67.59000120.9
503G28Very low34.3Very low67 Ų67129.2 Ų129.269%0.69174%0.735SS**  trans114.897.1137.900000116.7
504S30.5Very low35.6Very low110 Ų110125 Ų12577%0.76972%0.721SS**  trans54.6121.6151.167.90000119.7
505E32.1Very low36.7Very low174 Ų174126.3 Ų126.381%0.81372%0.716SS**  -178.6125114.6-97.2171.3-173.600112.7
506H38.7Very low37.5Very low172 Ų172125.4 Ų125.480%0.79671%0.707SS**  trans31.892.1143.9-65.381.3000119.4H508H506-H508 PolarHBondContact O-N 3.11Å
507G32.8Very low38.3Very low82 Ų82131.2 Ų131.285%0.84571%0.707SS**  trans-80.5109.515700000110.6
508H42.8Very low39.2Very low144 Ų144130.6 Ų130.667%0.66770%0.699SS**  trans-66.1130.7171.2-84-70000111H506H506-H508 PolarHBondContact O-N 3.11Å
509S39.3Very low40Very low70 Ų70133.2 Ų133.249%0.4970%0.7SS.*  trans-66140.4173.5178.80000110.9E511 K512S509-E511 PolarHBondContact O-N 3.02Å; S509-K512 PolarHBondContact O-N 3.05Å
510Y40.5Very low40.9Very low193 Ų193131.8 Ų131.876%0.75770%0.696SS**THydrogen-bonded Turntrans-49.1-22.5175.4-168.1-96.9000113.7K512 L513 V514Y510-K512 VanDerWaalsContact C-N 3.31Å; Y510-K512 PolarHBondContact O-N 3.41Å; Y510-L513 PolarHBondContact O-N 3.43Å; Y510-V514 HydrophobicContact CD1-CG2 4.32Å; Y510-V514 HydrophobicContact CE1-CG2 4.22Å
511E50.1Low41.6Very low145 Ų145133.4 Ų133.468%0.67870%0.7SS**Hα-helixtrans-65-29175.9-77.3169.4145.500113.8S509 L513 V514 E515S509-E511 PolarHBondContact O-N 3.02Å; E511-L513 PolarHBondContact O-N 3.24Å; E511-V514 PolarHBondContact O-N 3.3Å; E511-E515 PolarHBondContact O-N 3.24Å
512K46.8Very low42.5Very low129 Ų129135.8 Ų135.856%0.56171%0.705SS**Hα-helixtrans-76.8-22.8-177.6-148.2177.5-177.6-173.40113.4S509 Y510S509-K512 PolarHBondContact O-N 3.05Å; Y510-K512 VanDerWaalsContact C-N 3.31Å; Y510-K512 PolarHBondContact O-N 3.41Å
513L50.2Low43.3Very low122 Ų122133.7 Ų133.764%0.63970%0.698SS**Hα-helixtrans-81.8-22.8174-76.3166000112.6Y510 E511Y510-L513 PolarHBondContact O-N 3.43Å; E511-L513 PolarHBondContact O-N 3.24Å
514V54.5Low44.2Very low78 Ų78139.4 Ų139.447%0.47371%0.707SS.*Hα-helixtrans-82.6-30.1177.6179.40000111.4Y510 E511 T518Y510-V514 HydrophobicContact CD1-CG2 4.32Å; Y510-V514 HydrophobicContact CE1-CG2 4.22Å; E511-V514 PolarHBondContact O-N 3.3Å; V514-T518 PolarHBondContact O-OG1 3.19Å
515E50.4Low44.6Very low137 Ų137143.6 Ų143.664%0.6474%0.736SS**Hα-helixtrans-75.8-23.4173.6-74.7-171.2159.900113.8E511 T518E511-E515 PolarHBondContact O-N 3.24Å; E515-T518 WeakPolarHBondContact CA-OG1 3.47Å; E515-T518 PolarHBondContact O-OG1 3.19Å
516E47.9Very low45.3Very low141 Ų141142.1 Ų142.166%0.65973%0.732SS**Hα-helixtrans-79.9-29.2176.7-159.2150.2-153.900111.8T518E516-T518 PolarHBondContact O-N 3.1Å
517Y44.5Very low45.6Very low197 Ų197140.5 Ų140.577%0.77373%0.729SS**Hα-helixtrans-76.4-16.4173.5-117.2-85.9000114.5
518T47.8Very low46.3Very low99 Ų99143.7 Ų143.761%0.60772%0.722SS**THydrogen-bonded Turntrans-96.5-2.8-179.436.50000113.7V514 E515 E516V514-T518 PolarHBondContact O-OG1 3.19Å; E515-T518 WeakPolarHBondContact CA-OG1 3.47Å; E515-T518 PolarHBondContact O-OG1 3.19Å; E516-T518 PolarHBondContact O-N 3.1Å
519K46.4Very low46.5Very low180 Ų180143.7 Ų143.778%0.78373%0.726SS**SBendtrans-99.1-8.9177-90.6179.5177.9169.50115.3
520E46.4Very low47Very low154 Ų154148.3 Ų148.372%0.7274%0.74SS**SBendtrans-90.2-9.6178.6-80.9-175153.300115
521D45.6Very low47.4Very low150 Ų150145.3 Ų145.380%0.80274%0.739SS**THydrogen-bonded Turntrans-94.614.4-177.1-100.9-9.5000115
522N49.2Very low47.2Very low150 Ų150145.4 Ų145.480%0.80274%0.744SS**THydrogen-bonded Turntrans-134.139.8176.5-79-54.8000114
523T45.5Very low47.2Very low114 Ų114146.6 Ų146.670%0.69976%0.758SS**SBendtrans-142.9130.8161.938.80000110.6
524E47.3Very low47Very low186 Ų186148.7 Ų148.787%0.86977%0.768SS**  trans87.687.3172.6-56.4-168160.600118.1
525S38.6Very low46.3Very low198 Ų198155.1 Ų155.1100%1.38579%0.794SS**  166.20113.6-66.40000111.6

Retrieved 525 of 525 residues in 120.3 ms (Link to these results)