A0A077YVH1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YVH1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 973 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
1M76.2Confident82.3Confident196 Ų196103.3 Ų103.397%0.96653%0.525SS*.  0-61.30-72.6-168.2-75.800113.5L3 D4 Y5M1-L3 PolarHBondContact O-N 3.47Å; M1-D4 VanDerWaalsContact C-OD2 3.3Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.49Å; M1-D4 PolarHBondContact O-N 3.5Å; M1-Y5 PolarHBondContact O-N 2.89Å
2M70.6Confident82.8Confident109 Ų109101.7 Ų101.754%0.53752%0.518SS..Hα-helixtrans-59-46.2-173.4-171.2-172.5-170.500113.3Y5 I6 F66 L70M2-Y5 PolarHBondContact O-N 3.34Å; M2-I6 HydrophobicContact CG-CD1 4.22Å; M2-I6 WeakPolarHBondContact O-CG1 3.48Å; M2-I6 PolarHBondContact O-N 3.2Å; M2-I6 VanDerWaalsContact O-N 3.14Å; M2-F66 HydrophobicContact CE-CE1 4.04Å; M2-L70 HydrophobicContact CE-CD1 4.05Å
3L82.7Confident83.1Confident138 Ų13897.5 Ų97.572%0.72350%0.498SS*.Hα-helixtrans-65.2-38176.7-65.7174.7000112.1M1 I6 A7M1-L3 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 2.64Å; L3-A7 WeakPolarHBondContact O-CB 3.37Å; L3-A7 PolarHBondContact O-N 2.85Å
4D84Confident83.4Confident98 Ų9897.6 Ų97.652%0.52449%0.493SS..Hα-helixtrans-66.3-41178.8-38.4-73.2000111.1M1 A7 T8M1-D4 VanDerWaalsContact C-OD2 3.3Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.49Å; M1-D4 PolarHBondContact O-N 3.5Å; D4-A7 PolarHBondContact O-N 3.09Å; D4-T8 WeakPolarHBondContact O-CG2 3.47Å; D4-T8 PolarHBondContact O-N 3.18Å; D4-T8 PolarHBondContact O-OG1 3.46Å
5Y84.1Confident83.9Confident127 Ų12798.1 Ų98.150%0.49849%0.491SS..Hα-helixtrans-62.1-45.7175.2-177.9-115.2000111.6M1 M2 A7 T8 I9 F66M1-Y5 PolarHBondContact O-N 2.89Å; M2-Y5 PolarHBondContact O-N 3.34Å; Y5-A7 VanDerWaalsContact C-N 3.34Å; Y5-A7 PolarHBondContact O-N 3.26Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.49Å; Y5-T8 PolarHBondContact O-N 3.27Å; Y5-T8 PolarHBondContact O-OG1 2.57Å; Y5-I9 HydrophobicContact CD1-CD1 4.05Å; Y5-I9 HydrophobicContact CE1-CD1 3.6Å; Y5-I9 HydrophobicContact CE2-CD1 4.29Å; Y5-I9 WeakPolarHBondContact O-CG1 3.35Å; Y5-I9 PolarHBondContact O-N 3.35Å; Y5-I9 VanDerWaalsContact O-N 3.07Å; Y5-F66 HydrophobicContact CD1-CZ 4.44Å; Y5-F66 HydrophobicContact CE1-CE2 4.22Å
6I81.3Confident84.1Confident66 Ų6696.6 Ų96.634%0.33849%0.489SS..Hα-helixtrans-61-43.5174.7-68.8167.2000110.7M2 L3 I9 F10M2-I6 HydrophobicContact CG-CD1 4.22Å; M2-I6 WeakPolarHBondContact O-CG1 3.48Å; M2-I6 PolarHBondContact O-N 3.2Å; M2-I6 VanDerWaalsContact O-N 3.14Å; L3-I6 PolarHBondContact O-N 2.64Å; I6-I9 PolarHBondContact O-N 3.49Å; I6-F10 HydrophobicContact CG2-CD2 3.71Å; I6-F10 HydrophobicContact CG2-CE2 3.59Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.33Å; I6-F10 PolarHBondContact O-N 2.85Å
7A82.2Confident84.3Confident57 Ų5796.1 Ų96.147%0.47149%0.487SS..Hα-helixtrans-63.7-40.3176.800000112.6L3 D4 Y5 F10 E11L3-A7 WeakPolarHBondContact O-CB 3.37Å; L3-A7 PolarHBondContact O-N 2.85Å; D4-A7 PolarHBondContact O-N 3.09Å; Y5-A7 VanDerWaalsContact C-N 3.34Å; Y5-A7 PolarHBondContact O-N 3.26Å; A7-F10 PolarHBondContact O-N 3.01Å; A7-E11 PolarHBondContact O-N 3.38Å
8T86.7Confident84.5Confident77 Ų7798.3 Ų98.347%0.47249%0.493SS..Hα-helixtrans-64.5-40.9175.7500000112.6D4 Y5 E11 D12D4-T8 WeakPolarHBondContact O-CG2 3.47Å; D4-T8 PolarHBondContact O-N 3.18Å; D4-T8 PolarHBondContact O-OG1 3.46Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.49Å; Y5-T8 PolarHBondContact O-N 3.27Å; Y5-T8 PolarHBondContact O-OG1 2.57Å; T8-E11 PolarHBondContact O-N 3.05Å; T8-D12 PolarHBondContact O-N 3.22Å
9I85.1Confident84.7Confident62 Ų6299.3 Ų99.332%0.31850%0.499SS..Hα-helixtrans-60.1-48.3173.6-68.6168.7000110.4Y5 I6 E11 D12 D13Y5-I9 HydrophobicContact CD1-CD1 4.05Å; Y5-I9 HydrophobicContact CE1-CD1 3.6Å; Y5-I9 HydrophobicContact CE2-CD1 4.29Å; Y5-I9 WeakPolarHBondContact O-CG1 3.35Å; Y5-I9 PolarHBondContact O-N 3.35Å; Y5-I9 VanDerWaalsContact O-N 3.07Å; I6-I9 PolarHBondContact O-N 3.49Å; I9-E11 PolarHBondContact O-N 3.42Å; I9-D12 PolarHBondContact O-N 3.01Å; I9-D13 WeakPolarHBondContact O-CB 3.36Å; I9-D13 PolarHBondContact O-N 2.81Å
10F85.3Confident84.8Confident131 Ų13198.6 Ų98.658%0.57550%0.496SS*.Hα-helixtrans-64.1-36.6179.4-82.2-60.7000113.2I6 A7 K14I6-F10 HydrophobicContact CG2-CD2 3.71Å; I6-F10 HydrophobicContact CG2-CE2 3.59Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.33Å; I6-F10 PolarHBondContact O-N 2.85Å; A7-F10 PolarHBondContact O-N 3.01Å; F10-K14 WeakPolarHBondContact O-CB 3.39Å; F10-K14 PolarHBondContact O-N 2.72Å
11E87.6Confident84.9Confident75 Ų75100.5 Ų100.535%0.3550%0.502SS..Hα-helixtrans-74.1-30.5178.2-163.161-139.900112.3A7 T8 I9 K14 K15A7-E11 PolarHBondContact O-N 3.38Å; T8-E11 PolarHBondContact O-N 3.05Å; I9-E11 PolarHBondContact O-N 3.42Å; E11-K14 VanDerWaalsContact CD-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE1-CD 3.41Å; E11-K14 VanDerWaalsContact OE1-CE 3.27Å; E11-K14 WeakPolarHBondContact OE1-CE 3.47Å; E11-K14 IonicContact OE1-NZ 3.18Å; E11-K14 PolarHBondContact OE1-NZ 2.86Å; E11-K14 WeakPolarHBondContact OE2-CD 3.37Å; E11-K14 IonicContact OE2-NZ 2.62Å; E11-K14 PolarHBondContact OE2-NZ 3.21Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.38Å; E11-K15 PolarHBondContact O-N 3.15Å
12D87.8Confident85.3Confident84 Ų8493.9 Ų93.945%0.44948%0.478SS..Hα-helixtrans-75.4-41172.9-75.1-21.2000112.7T8 I9 K14 K15 T16T8-D12 PolarHBondContact O-N 3.22Å; I9-D12 PolarHBondContact O-N 3.01Å; D12-K14 PolarHBondContact O-N 3.1Å; D12-K15 WeakPolarHBondContact O-CB 3.46Å; D12-K15 PolarHBondContact O-N 3.1Å; D12-K15 VanDerWaalsContact O-N 3.14Å; D12-K15 WeakPolarHBondContact OD1-CD 3.39Å; D12-K15 WeakPolarHBondContact OD1-CE 3.5Å; D12-K15 IonicContact OD1-NZ 3.9Å; D12-K15 PolarHBondContact OD1-NZ 2.97Å; D12-T16 PolarHBondContact O-N 3.37Å; D12-T16 PolarHBondContact O-OG1 3.14Å
13D86.5Confident86Confident48 Ų4893.8 Ų93.826%0.25748%0.476SS..Hα-helixtrans-62-33.8170.5-78.5-16.7000110.8I9 T16 L17 R62I9-D13 WeakPolarHBondContact O-CB 3.36Å; I9-D13 PolarHBondContact O-N 2.81Å; D13-T16 PolarHBondContact O-N 2.94Å; D13-T16 PolarHBondContact O-OG1 2.99Å; D13-L17 WeakPolarHBondContact O-CB 3.48Å; D13-L17 PolarHBondContact O-N 3.44Å; D13-R62 IonicContact OD2-NH1 3.9Å
14K88.1Confident86Confident99 Ų9991.1 Ų91.143%0.4346%0.463SS..Hα-helixtrans-70.5-32.2173176.4176.7159.9-155.50113.3F10 E11 D12 K18F10-K14 WeakPolarHBondContact O-CB 3.39Å; F10-K14 PolarHBondContact O-N 2.72Å; E11-K14 VanDerWaalsContact CD-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE1-CD 3.41Å; E11-K14 VanDerWaalsContact OE1-CE 3.27Å; E11-K14 WeakPolarHBondContact OE1-CE 3.47Å; E11-K14 IonicContact OE1-NZ 3.18Å; E11-K14 PolarHBondContact OE1-NZ 2.86Å; E11-K14 WeakPolarHBondContact OE2-CD 3.37Å; E11-K14 IonicContact OE2-NZ 2.62Å; E11-K14 PolarHBondContact OE2-NZ 3.21Å; D12-K14 PolarHBondContact O-N 3.1Å; K14-K18 WeakPolarHBondContact O-CG 3.33Å; K14-K18 PolarHBondContact O-N 3.37Å; K14-K18 VanDerWaalsContact O-N 3.14Å
15K90.3Very high85.9Confident104 Ų10491.1 Ų91.145%0.45247%0.466SS..Hα-helixtrans-68-45.7170.7-71.5163.1-153.4163.90111.4E11 D12 L17 K18 L19E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.38Å; E11-K15 PolarHBondContact O-N 3.15Å; D12-K15 WeakPolarHBondContact O-CB 3.46Å; D12-K15 PolarHBondContact O-N 3.1Å; D12-K15 VanDerWaalsContact O-N 3.14Å; D12-K15 WeakPolarHBondContact OD1-CD 3.39Å; D12-K15 WeakPolarHBondContact OD1-CE 3.5Å; D12-K15 IonicContact OD1-NZ 3.9Å; D12-K15 PolarHBondContact OD1-NZ 2.97Å; K15-L17 PolarHBondContact O-N 3.11Å; K15-K18 WeakPolarHBondContact O-CB 3.35Å; K15-K18 PolarHBondContact O-N 3.38Å; K15-L19 PolarHBondContact O-N 3.49Å
16T87.6Confident85.4Confident75 Ų7591.2 Ų91.246%0.4647%0.47SS..Hα-helixtrans-65.4-38.4178.357.70000111.9D12 D13 K18 L19 L20D12-T16 PolarHBondContact O-N 3.37Å; D12-T16 PolarHBondContact O-OG1 3.14Å; D13-T16 PolarHBondContact O-N 2.94Å; D13-T16 PolarHBondContact O-OG1 2.99Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.4Å; T16-L19 PolarHBondContact O-N 3.37Å; T16-L20 WeakPolarHBondContact O-CG 3.21Å; T16-L20 PolarHBondContact O-N 3.45Å
17L86.3Confident85.1Confident87 Ų8795.2 Ų95.246%0.45548%0.481SS..Hα-helixtrans-62.4-36.6172.3-167.772.8000112.8D13 K15 K21D13-L17 WeakPolarHBondContact O-CB 3.48Å; D13-L17 PolarHBondContact O-N 3.44Å; K15-L17 PolarHBondContact O-N 3.11Å; L17-K21 WeakPolarHBondContact O-CG 3.41Å; L17-K21 PolarHBondContact O-N 3.2Å; L17-K21 VanDerWaalsContact O-N 3.11Å
18K89Confident84.7Confident137 Ų13799 Ų9960%0.59649%0.487SS*.Hα-helixtrans-65.6-41.2173.3-79.7177.4174.9-176.20112.2K14 K15 T16 K21 A22K14-K18 WeakPolarHBondContact O-CG 3.33Å; K14-K18 PolarHBondContact O-N 3.37Å; K14-K18 VanDerWaalsContact O-N 3.14Å; K15-K18 WeakPolarHBondContact O-CB 3.35Å; K15-K18 PolarHBondContact O-N 3.38Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.4Å; K18-K21 PolarHBondContact O-N 2.99Å; K18-A22 PolarHBondContact O-N 2.89Å
19L87.3Confident83.9Confident117 Ų117102.3 Ų102.361%0.61350%0.497SS*.Hα-helixtrans-63.8-47.3176.9-71.6169.3000111.7K15 T16 K21 A22 E23K15-L19 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 3.37Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 2.98Å; L19-A22 WeakPolarHBondContact O-CB 3.36Å; L19-A22 PolarHBondContact O-N 3.5Å; L19-E23 PolarHBondContact O-N 3.37Å
20L86.9Confident82.9Confident85 Ų85106 Ų10645%0.44552%0.518SS..Hα-helixtrans-59.2-41.4176.4-70.5169.4000112.2T16 A22 E23 D24T16-L20 WeakPolarHBondContact O-CG 3.21Å; T16-L20 PolarHBondContact O-N 3.45Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.98Å; L20-E23 PolarHBondContact O-N 3.39Å; L20-D24 PolarHBondContact O-N 3.45Å
21K88Confident82Confident139 Ų139105.1 Ų105.160%0.60452%0.523SS*.Hα-helixtrans-64-33.9174-76.1-175.5176.5-1700113L17 K18 L19 V25L17-K21 WeakPolarHBondContact O-CG 3.41Å; L17-K21 PolarHBondContact O-N 3.2Å; L17-K21 VanDerWaalsContact O-N 3.11Å; K18-K21 PolarHBondContact O-N 2.99Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 2.98Å; K21-V25 VanDerWaalsContact O-CG2 3.29Å; K21-V25 WeakPolarHBondContact O-CG2 3.39Å; K21-V25 PolarHBondContact O-N 2.94Å
22A84.7Confident80.3Confident56 Ų56105.6 Ų105.646%0.46354%0.54SS..Hα-helixtrans-69.8-40.5176.200000112.2K18 L19 L20 V25 H26K18-A22 PolarHBondContact O-N 2.89Å; L19-A22 WeakPolarHBondContact O-CB 3.36Å; L19-A22 PolarHBondContact O-N 3.5Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.98Å; A22-V25 PolarHBondContact O-N 3.01Å; A22-H26 PolarHBondContact O-N 3.38Å; A22-H26 VanDerWaalsContact O-N 3.11Å
23E84.5Confident78.5Confident108 Ų108109.8 Ų109.851%0.50556%0.561SS.*Hα-helixtrans-63.6-42.9174.7-68.9-173.1175.100112.3L19 L20 H26 R27L19-E23 PolarHBondContact O-N 3.37Å; L20-E23 PolarHBondContact O-N 3.39Å; E23-H26 WeakPolarHBondContact O-CB 3.34Å; E23-H26 PolarHBondContact O-N 2.88Å; E23-R27 PolarHBondContact O-N 3.14Å
24D83.1Confident76.4Confident82 Ų82110.4 Ų110.444%0.43958%0.579SS.*Hα-helixtrans-68.7-33.7177.1-87.9-11.2000113L20 H26 R27 K28L20-D24 PolarHBondContact O-N 3.45Å; D24-H26 VanDerWaalsContact C-N 3.31Å; D24-R27 PolarHBondContact O-N 3.48Å; D24-R27 IonicContact OD1-NH1 3.36Å; D24-R27 PolarHBondContact OD1-NH1 3.3Å; D24-K28 WeakPolarHBondContact O-CB 3.31Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 3.1Å
25V81.1Confident74Confident97 Ų97112.4 Ų112.459%0.58860%0.604SS**Hα-helixtrans-62.6-40.5171.11660000110.9K21 A22 K28 Q29K21-V25 VanDerWaalsContact O-CG2 3.29Å; K21-V25 WeakPolarHBondContact O-CG2 3.39Å; K21-V25 PolarHBondContact O-N 2.94Å; A22-V25 PolarHBondContact O-N 3.01Å; V25-K28 PolarHBondContact O-N 2.98Å; V25-Q29 PolarHBondContact O-N 2.86Å
26H74.7Confident72.3Confident129 Ų129114.1 Ų114.160%0.59762%0.617SS**Hα-helixtrans-61.9-46.9175.5-121.2-61.6000111.7A22 E23 D24 K28 Q29A22-H26 PolarHBondContact O-N 3.38Å; A22-H26 VanDerWaalsContact O-N 3.11Å; E23-H26 WeakPolarHBondContact O-CB 3.34Å; E23-H26 PolarHBondContact O-N 2.88Å; D24-H26 VanDerWaalsContact C-N 3.31Å; H26-K28 VanDerWaalsContact C-N 3.29Å; H26-K28 PolarHBondContact O-N 3.22Å; H26-Q29 PolarHBondContact O-N 3.33Å
27R74.8Confident71Confident150 Ų150114.4 Ų114.457%0.56662%0.622SS**Hα-helixtrans-61.7-34.2175.6-69.1177.2-177.9153.43.3113.3E23 D24 Q29 D30 T31E23-R27 PolarHBondContact O-N 3.14Å; D24-R27 PolarHBondContact O-N 3.48Å; D24-R27 IonicContact OD1-NH1 3.36Å; D24-R27 PolarHBondContact OD1-NH1 3.3Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 2.9Å; R27-D30 PolarHBondContact O-N 3.39Å; R27-T31 PolarHBondContact O-OG1 3.4Å
28K73.8Confident69.8Low137 Ų137115.5 Ų115.560%0.59663%0.632SS**Hα-helixtrans-69.6-24.4178.7-76.8-174.4178.1-163.10113.1D24 V25 H26D24-K28 WeakPolarHBondContact O-CB 3.31Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 3.1Å; V25-K28 PolarHBondContact O-N 2.98Å; H26-K28 VanDerWaalsContact C-N 3.29Å; H26-K28 PolarHBondContact O-N 3.22Å
29Q68.8Low68.1Low146 Ų146113 Ų11368%0.68263%0.631SS**Hα-helixtrans-70-36.2171.4-74.3-169.2-36.900112.8V25 H26 R27 T31V25-Q29 PolarHBondContact O-N 2.86Å; H26-Q29 PolarHBondContact O-N 3.33Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 2.9Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 3.05Å
30D64.7Low67.5Low140 Ų140109.4 Ų109.475%0.74962%0.618SS**Hα-helixtrans-76.9-11-177.5-66.7-32000114.3R27R27-D30 PolarHBondContact O-N 3.39Å
31T65.5Low66.8Low113 Ų113109.9 Ų109.969%0.69362%0.62SS**THydrogen-bonded Turntrans-114.123.5-167-36.70000114R27 Q29 L33R27-T31 PolarHBondContact O-OG1 3.4Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 3.05Å; T31-L33 PolarHBondContact O-N 3.27Å; T31-L33 VanDerWaalsContact O-N 3.07Å
32A53.6Low66.2Low84 Ų84109.1 Ų109.169%0.69462%0.622SS**  trans-85.167.3-169.700000115.4
33L48.2Very low66.1Low173 Ų173113.5 Ų113.591%0.90663%0.631SS**  trans-141.4121.5170.3-76.7176.5000113.8T31T31-L33 PolarHBondContact O-N 3.27Å; T31-L33 VanDerWaalsContact O-N 3.07Å
34G42.5Very low66Low61 Ų61113 Ų11363%0.62963%0.629SS**  trans84.682.7147.900000120I36G34-I36 PolarHBondContact O-N 3.34Å
35C39.2Very low66.1Low141 Ų141113.1 Ų113.195%0.95363%0.632SS**  trans44.245.5134.3-580000121.5
36I55Low66.2Low140 Ų140114 Ų11472%0.71863%0.63SS**  trans-12953.9166.2-44.2179.1000111.3G34G34-I36 PolarHBondContact O-N 3.34Å
37S60.3Low66.7Low81 Ų81113.2 Ų113.257%0.56663%0.629SS**  trans-80.4-46.8-163.2-1620000115.8A40 L41S37-A40 PolarHBondContact O-N 3.34Å; S37-L41 WeakPolarHBondContact O-CG 3.44Å; S37-L41 PolarHBondContact O-N 3.36Å
38T60.3Low67.2Low109 Ų109109.2 Ų109.267%0.66962%0.624SS**Hα-helixtrans-70.3-45.2-16847.40000114A40 L41 L42T38-A40 VanDerWaalsContact C-N 3.26Å; T38-A40 PolarHBondContact O-N 2.93Å; T38-L41 PolarHBondContact O-N 2.96Å; T38-L42 PolarHBondContact O-N 2.88Å
39C53.7Low67.8Low85 Ų85107.1 Ų107.157%0.57462%0.623SS**Hα-helixtrans-72-17.9177.5-61.90000113.6
40A74.4Confident68.8Low41 Ų41105.5 Ų105.534%0.33961%0.613SS.*Hα-helixtrans-74-51171.200000110.4S37 T38 L42 K43 E44S37-A40 PolarHBondContact O-N 3.34Å; T38-A40 VanDerWaalsContact C-N 3.26Å; T38-A40 PolarHBondContact O-N 2.93Å; A40-L42 VanDerWaalsContact C-N 3.31Å; A40-L42 PolarHBondContact O-N 3.41Å; A40-K43 WeakPolarHBondContact O-CA 3.23Å; A40-K43 WeakPolarHBondContact O-CB 3.39Å; A40-K43 PolarHBondContact O-N 3.44Å; A40-E44 PolarHBondContact O-N 3.26Å
41L72.6Confident70Confident95 Ų95105.4 Ų105.450%0.49760%0.603SS.*Hα-helixtrans-55.4-41.2179.9-70.7168.2000113.1S37 T38 K43 E44 T45S37-L41 WeakPolarHBondContact O-CG 3.44Å; S37-L41 PolarHBondContact O-N 3.36Å; T38-L41 PolarHBondContact O-N 2.96Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.93Å; L41-E44 PolarHBondContact O-N 3.5Å; L41-T45 PolarHBondContact O-N 3.23Å; L41-T45 PolarHBondContact O-OG1 3.3Å
42L75.4Confident71Confident123 Ų123105.4 Ų105.464%0.64460%0.595SS**Hα-helixtrans-65.3-28.1176-74.4171.2000113.9T38 A40 T45 E46T38-L42 PolarHBondContact O-N 2.88Å; A40-L42 VanDerWaalsContact C-N 3.31Å; A40-L42 PolarHBondContact O-N 3.41Å; L42-T45 PolarHBondContact O-OG1 2.98Å; L42-T45 VanDerWaalsContact O-OG1 3.14Å; L42-E46 PolarHBondContact O-N 3.04Å
43K82.4Confident72.5Confident149 Ų149104 Ų10465%0.64858%0.577SS**Hα-helixtrans-80.5-35.1173-71.2178.9178.2177.20111.6A40 L41 L47A40-K43 WeakPolarHBondContact O-CA 3.23Å; A40-K43 WeakPolarHBondContact O-CB 3.39Å; A40-K43 PolarHBondContact O-N 3.44Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.93Å; K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CG 3.48Å; K43-L47 PolarHBondContact O-N 3.02Å
44E82Confident74.5Confident98 Ų9898.8 Ų98.846%0.45856%0.556SS.*Hα-helixtrans-64-41174.1-70.6-173.5-167.100111.7A40 L41 L47 C48A40-E44 PolarHBondContact O-N 3.26Å; L41-E44 PolarHBondContact O-N 3.5Å; E44-L47 PolarHBondContact O-N 3.04Å; E44-C48 VanDerWaalsContact O-CB 3.28Å; E44-C48 WeakPolarHBondContact O-CB 3.32Å; E44-C48 PolarHBondContact O-N 3.28Å
45T84.6Confident76.6Confident83 Ų83100.2 Ų100.251%0.50955%0.545SS..Hα-helixtrans-67.1-42.7175.855.10000112.4L41 L42 L47 C48 V49L41-T45 PolarHBondContact O-N 3.23Å; L41-T45 PolarHBondContact O-OG1 3.3Å; L42-T45 PolarHBondContact O-OG1 2.98Å; L42-T45 VanDerWaalsContact O-OG1 3.14Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.16Å; T45-C48 PolarHBondContact O-N 3.48Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-V49 PolarHBondContact O-N 3.22Å
46E82.9Confident79Confident115 Ų11596.4 Ų96.454%0.53752%0.517SS..Hα-helixtrans-58.4-44.1172.1-88.6-153.6177.300112.5L42 V49 K50L42-E46 PolarHBondContact O-N 3.04Å; E46-V49 PolarHBondContact O-N 3.44Å; E46-K50 WeakPolarHBondContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CD 3.45Å; E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3Å; E46-K50 IonicContact OE2-NZ 2.57Å; E46-K50 PolarHBondContact OE2-NZ 3.16Å
47L86.8Confident80.5Confident113 Ų11397.6 Ų97.659%0.59251%0.512SS*.Hα-helixtrans-64.7-41.7177.6-79.4164.9000111.5K43 E44 T45 K50 Y51K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CG 3.48Å; K43-L47 PolarHBondContact O-N 3.02Å; E44-L47 PolarHBondContact O-N 3.04Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.16Å; L47-K50 PolarHBondContact O-N 3.22Å; L47-Y51 WeakPolarHBondContact O-CB 3.5Å; L47-Y51 PolarHBondContact O-N 3.07Å
48C84.9Confident82Confident66 Ų6697.5 Ų97.545%0.44651%0.508SS..Hα-helixtrans-60.1-47.3175.9-170.70000111.8E44 T45 Y51 H52E44-C48 VanDerWaalsContact O-CB 3.28Å; E44-C48 WeakPolarHBondContact O-CB 3.32Å; E44-C48 PolarHBondContact O-N 3.28Å; T45-C48 PolarHBondContact O-N 3.48Å; C48-Y51 PolarHBondContact O-N 2.96Å; C48-H52 PolarHBondContact O-CD2 3.46Å; C48-H52 PolarHBondContact O-N 3.41Å
49V86.4Confident83.4Confident94 Ų9494.2 Ų94.257%0.5749%0.492SS*.Hα-helixtrans-62.8-44.4176.1173.10000111.2T45 E46 Y51 H52 V53T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-V49 PolarHBondContact O-N 3.22Å; E46-V49 PolarHBondContact O-N 3.44Å; V49-Y51 VanDerWaalsContact C-N 3.31Å; V49-Y51 PolarHBondContact O-N 3.07Å; V49-H52 PolarHBondContact O-N 3.27Å; V49-V53 HydrophobicContact CG1-CG2 4.41Å; V49-V53 WeakPolarHBondContact O-CG2 3.37Å; V49-V53 PolarHBondContact O-N 3.44Å
50K88.9Confident85.1Confident111 Ų11192.6 Ų92.648%0.48348%0.477SS..Hα-helixtrans-61.6-38.1176.4-72.6162.2-172.9166.50112.1E46 L47 S54E46-K50 WeakPolarHBondContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CD 3.45Å; E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3Å; E46-K50 IonicContact OE2-NZ 2.57Å; E46-K50 PolarHBondContact OE2-NZ 3.16Å; L47-K50 PolarHBondContact O-N 3.22Å; K50-S54 WeakPolarHBondContact O-CB 3.47Å; K50-S54 PolarHBondContact O-N 3.34Å; K50-S54 VanDerWaalsContact O-N 3.15Å; K50-S54 PolarHBondContact O-OG 3.35Å
51Y89.6Confident85.8Confident138 Ų13894.5 Ų94.554%0.54149%0.489SS..Hα-helixtrans-67.2-49174.4-168.3-95.1000112L47 C48 V49 V53 S54 F55L47-Y51 WeakPolarHBondContact O-CB 3.5Å; L47-Y51 PolarHBondContact O-N 3.07Å; C48-Y51 PolarHBondContact O-N 2.96Å; V49-Y51 VanDerWaalsContact C-N 3.31Å; V49-Y51 PolarHBondContact O-N 3.07Å; Y51-V53 PolarHBondContact O-N 2.84Å; Y51-S54 WeakPolarHBondContact O-CB 3.28Å; Y51-S54 PolarHBondContact O-N 2.82Å; Y51-S54 VanDerWaalsContact O-N 3.11Å; Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.88Å
52H87.1Confident86.7Confident114 Ų11497 Ų9753%0.52849%0.491SS..Hα-helixtrans-59.9-44177.2-89.7-80.7000113C48 V49 S54 F55 V56C48-H52 PolarHBondContact O-CD2 3.46Å; C48-H52 PolarHBondContact O-N 3.41Å; V49-H52 PolarHBondContact O-N 3.27Å; H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.34Å; H52-F55 PolarHBondContact O-N 3.44Å; H52-V56 WeakPolarHBondContact O-CG2 3.46Å; H52-V56 PolarHBondContact O-N 3.03Å
53V86Confident87.4Confident53 Ų5394.5 Ų94.532%0.32148%0.481SS..Hα-helixtrans-62.9-35.5175.5171.20000111.4V49 Y51 R57V49-V53 HydrophobicContact CG1-CG2 4.41Å; V49-V53 WeakPolarHBondContact O-CG2 3.37Å; V49-V53 PolarHBondContact O-N 3.44Å; Y51-V53 PolarHBondContact O-N 2.84Å; V53-R57 VanDerWaalsContact O-CG 3.31Å; V53-R57 WeakPolarHBondContact O-CG 3.33Å; V53-R57 PolarHBondContact O-N 3.15Å; V53-R57 VanDerWaalsContact O-N 3.15Å
54S89.1Confident87.7Confident64 Ų6489.7 Ų89.745%0.44847%0.469SS..Hα-helixtrans-71.8-42.7177.1-58.30000111.7K50 Y51 H52 R57 V58K50-S54 WeakPolarHBondContact O-CB 3.47Å; K50-S54 PolarHBondContact O-N 3.34Å; K50-S54 VanDerWaalsContact O-N 3.15Å; K50-S54 PolarHBondContact O-OG 3.35Å; Y51-S54 WeakPolarHBondContact O-CB 3.28Å; Y51-S54 PolarHBondContact O-N 2.82Å; Y51-S54 VanDerWaalsContact O-N 3.11Å; H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.34Å; S54-R57 PolarHBondContact O-N 2.91Å; S54-V58 WeakPolarHBondContact O-CG2 3.4Å; S54-V58 PolarHBondContact O-N 2.87Å
55F86.9Confident88.2Confident92 Ų9287.7 Ų87.740%0.40447%0.469SS..Hα-helixtrans-59.6-47.3174.4-180-95000111.7Y51 H52 R57 V58 A59Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.88Å; H52-F55 PolarHBondContact O-N 3.44Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 3.42Å; F55-V58 PolarHBondContact O-N 3.41Å; F55-V58 VanDerWaalsContact O-N 3.16Å; F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 3.16Å
56V89.3Confident88.4Confident60 Ų6087.1 Ų87.136%0.36446%0.46SS..Hα-helixtrans-59.9-40.6176.2170.60000111.4H52 A59 L60 F97H52-V56 WeakPolarHBondContact O-CG2 3.46Å; H52-V56 PolarHBondContact O-N 3.03Å; V56-A59 PolarHBondContact O-N 3.38Å; V56-L60 HydrophobicContact CG1-CD1 3.91Å; V56-L60 HydrophobicContact CG1-CG 4.32Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.44Å; V56-L60 PolarHBondContact O-N 3.26Å; V56-F97 HydrophobicContact CG1-CZ 4.08Å
57R87.7Confident88.8Confident165 Ų16582.9 Ų82.962%0.62344%0.442SS*.Hα-helixtrans-63.1-41.5174.9-75171.5177179.7-0.2112.8V53 S54 F55 S61V53-R57 VanDerWaalsContact O-CG 3.31Å; V53-R57 WeakPolarHBondContact O-CG 3.33Å; V53-R57 PolarHBondContact O-N 3.15Å; V53-R57 VanDerWaalsContact O-N 3.15Å; S54-R57 PolarHBondContact O-N 2.91Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 3.42Å; R57-S61 WeakPolarHBondContact O-CB 3.43Å; R57-S61 PolarHBondContact O-N 2.93Å
58V90.8Very high89Confident80 Ų8084.3 Ų84.349%0.48545%0.445SS..Hα-helixtrans-67-42.9176.5173.30000111.2S54 F55 S61 R62S54-V58 WeakPolarHBondContact O-CG2 3.4Å; S54-V58 PolarHBondContact O-N 2.87Å; F55-V58 PolarHBondContact O-N 3.41Å; F55-V58 VanDerWaalsContact O-N 3.16Å; V58-S61 PolarHBondContact O-N 2.94Å; V58-R62 WeakPolarHBondContact O-CG 3.43Å; V58-R62 PolarHBondContact O-N 2.95Å
59A89.3Confident89.4Confident39 Ų3985.8 Ų85.832%0.32245%0.448SS..Hα-helixtrans-61.1-4817600000111.7F55 V56 S61 R62 V63F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 3.16Å; V56-A59 PolarHBondContact O-N 3.38Å; A59-S61 VanDerWaalsContact C-N 3.32Å; A59-S61 PolarHBondContact O-N 2.88Å; A59-R62 PolarHBondContact O-N 3.4Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 3.46Å
60L89.3Confident89.7Confident51 Ų5183.8 Ų83.827%0.26743%0.434SS..Hα-helixtrans-61.9-37.5175.7-71.9175.4000112.4V56 V63 A64 I93 F97V56-L60 HydrophobicContact CG1-CD1 3.91Å; V56-L60 HydrophobicContact CG1-CG 4.32Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.44Å; V56-L60 PolarHBondContact O-N 3.26Å; L60-V63 PolarHBondContact O-N 2.83Å; L60-A64 WeakPolarHBondContact O-CB 3.19Å; L60-A64 PolarHBondContact O-N 3.42Å; L60-I93 HydrophobicContact CD1-CG2 4.17Å; L60-I93 HydrophobicContact CD2-CD1 3.62Å; L60-I93 HydrophobicContact CD2-CG1 4.47Å; L60-F97 HydrophobicContact CD1-CE2 4.04Å; L60-F97 HydrophobicContact CD1-CZ 4.44Å
61S90.1Very high89.8Confident82 Ų8279.9 Ų79.957%0.57342%0.419SS*.Hα-helixtrans-65.2-41.3174.8-178.50000112.5R57 V58 A59 A64 A65R57-S61 WeakPolarHBondContact O-CB 3.43Å; R57-S61 PolarHBondContact O-N 2.93Å; V58-S61 PolarHBondContact O-N 2.94Å; A59-S61 VanDerWaalsContact C-N 3.32Å; A59-S61 PolarHBondContact O-N 2.88Å; S61-A64 PolarHBondContact O-N 2.91Å; S61-A65 PolarHBondContact O-N 3.39Å
62R91Very high90.1Very high148 Ų14875.6 Ų75.656%0.55842%0.416SS*.Hα-helixtrans-62.5-44.3172.8-73.3177.8174.3179.3-2.1111.8D13 V58 A59 A65 F66D13-R62 IonicContact OD2-NH1 3.9Å; V58-R62 WeakPolarHBondContact O-CG 3.43Å; V58-R62 PolarHBondContact O-N 2.95Å; A59-R62 PolarHBondContact O-N 3.4Å; R62-A65 PolarHBondContact O-N 2.85Å; R62-F66 WeakPolarHBondContact O-CB 3.28Å; R62-F66 PolarHBondContact O-N 3.25Å
63V90.1Very high90.3Very high69 Ų6980.7 Ų80.742%0.41843%0.431SS..Hα-helixtrans-62.5-44.9176.6171.60000111.1A59 L60 A65 F66 V67 F89A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 3.46Å; L60-V63 PolarHBondContact O-N 2.83Å; V63-A65 PolarHBondContact O-N 3.18Å; V63-F66 PolarHBondContact O-N 3.33Å; V63-V67 HydrophobicContact CG1-CG2 4.43Å; V63-V67 WeakPolarHBondContact O-CG2 3.33Å; V63-V67 PolarHBondContact O-N 3.19Å; V63-F89 HydrophobicContact CG1-CE1 4.48Å
64A88.6Confident90.6Very high48 Ų4879.5 Ų79.540%0.39742%0.424SS..Hα-helixtrans-60.6-44.2177.500000112.3L60 S61 F66 V67 Q68L60-A64 WeakPolarHBondContact O-CB 3.19Å; L60-A64 PolarHBondContact O-N 3.42Å; S61-A64 PolarHBondContact O-N 2.91Å; A64-F66 PolarHBondContact O-N 3.23Å; A64-V67 PolarHBondContact O-N 3.34Å; A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 2.94Å
65A91.9Very high90.9Very high57 Ų5780.4 Ų80.447%0.47143%0.427SS..Hα-helixtrans-63.7-39175.300000112.5S61 R62 V63 Q68 L69S61-A65 PolarHBondContact O-N 3.39Å; R62-A65 PolarHBondContact O-N 2.85Å; V63-A65 PolarHBondContact O-N 3.18Å; A65-Q68 PolarHBondContact O-N 3.38Å; A65-L69 PolarHBondContact O-N 3.35Å
66F89.9Confident91Very high70 Ų7083 Ų8331%0.30744%0.444SS..Hα-helixtrans-67.3-39.7176.5-174.7-112.1000112.6M2 Y5 R62 V63 A64 L69 L70M2-F66 HydrophobicContact CE-CE1 4.04Å; Y5-F66 HydrophobicContact CD1-CZ 4.44Å; Y5-F66 HydrophobicContact CE1-CE2 4.22Å; R62-F66 WeakPolarHBondContact O-CB 3.28Å; R62-F66 PolarHBondContact O-N 3.25Å; V63-F66 PolarHBondContact O-N 3.33Å; A64-F66 PolarHBondContact O-N 3.23Å; F66-L69 WeakPolarHBondContact O-CB 3.25Å; F66-L69 PolarHBondContact O-N 2.94Å; F66-L70 HydrophobicContact CD1-CD1 3.94Å; F66-L70 HydrophobicContact CE1-CD1 3.64Å; F66-L70 HydrophobicContact CE1-CG 4.29Å; F66-L70 HydrophobicContact CZ-CD1 4.2Å; F66-L70 HydrophobicContact CZ-CG 4.43Å; F66-L70 PolarHBondContact O-N 3.26Å
67V90.6Very high91Very high26 Ų2683.9 Ų83.916%0.15846%0.458CS..Hα-helixtrans-70.6-35175.2179.80000111.7V63 A64 L69 L70 L71 L86V63-V67 HydrophobicContact CG1-CG2 4.43Å; V63-V67 WeakPolarHBondContact O-CG2 3.33Å; V63-V67 PolarHBondContact O-N 3.19Å; A64-V67 PolarHBondContact O-N 3.34Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.29Å; V67-L70 PolarHBondContact O-N 2.94Å; V67-L71 HydrophobicContact CG1-CD1 4.12Å; V67-L71 HydrophobicContact CG1-CG 4.32Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 2.79Å; V67-L86 HydrophobicContact CG1-CD1 4.16Å
68Q90.6Very high91.1Very high143 Ų14380.5 Ų80.567%0.66845%0.449SS*.Hα-helixtrans-60.3-39.4169.5-76179.2-3.300112A64 A65 G72A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 2.94Å; A65-Q68 PolarHBondContact O-N 3.38Å; Q68-G72 PolarHBondContact O-N 3.48Å; Q68-G72 VanDerWaalsContact O-N 3.16Å
69L93.7Very high91.1Very high98 Ų9880.8 Ų80.851%0.51344%0.441SS..Hα-helixtrans-65.7-45.2174.5-167.4151.2000111.3A65 F66 V67 L71 G72 W73A65-L69 PolarHBondContact O-N 3.35Å; F66-L69 WeakPolarHBondContact O-CB 3.25Å; F66-L69 PolarHBondContact O-N 2.94Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.29Å; L69-L71 PolarHBondContact O-N 2.86Å; L69-G72 WeakPolarHBondContact O-CA 3.45Å; L69-G72 PolarHBondContact O-N 2.81Å; L69-W73 PolarHBondContact O-N 2.97Å
70L92.3Very high91.2Very high51 Ų5187.5 Ų87.527%0.26746%0.458SS..Hα-helixtrans-60.5-43.3175.1-73.8171000112.8M2 F66 V67 G72 W73 T74M2-L70 HydrophobicContact CE-CD1 4.05Å; F66-L70 HydrophobicContact CD1-CD1 3.94Å; F66-L70 HydrophobicContact CE1-CD1 3.64Å; F66-L70 HydrophobicContact CE1-CG 4.29Å; F66-L70 HydrophobicContact CZ-CD1 4.2Å; F66-L70 HydrophobicContact CZ-CG 4.43Å; F66-L70 PolarHBondContact O-N 3.26Å; V67-L70 PolarHBondContact O-N 2.94Å; L70-G72 PolarHBondContact O-N 3.38Å; L70-W73 PolarHBondContact O-N 3.38Å; L70-T74 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-OG1 3.28Å
71L92.5Very high91.3Very high30 Ų3093.1 Ų93.116%0.15748%0.476CS..Hα-helixtrans-61.4-22.7173.8-75.8168.3000112.7V67 L69 R79 L82 E83V67-L71 HydrophobicContact CG1-CD1 4.12Å; V67-L71 HydrophobicContact CG1-CG 4.32Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 2.79Å; L69-L71 PolarHBondContact O-N 2.86Å; L71-R79 HydrophobicContact CD2-CB 4.39Å; L71-R79 HydrophobicContact CD2-CG 4.2Å; L71-R79 PolarHBondContact O-NE 3.49Å; L71-R79 PolarHBondContact O-NH1 3.07Å; L71-R79 PolarHBondContact O-NH2 3.39Å; L71-R79 VanDerWaalsContact O-NH2 3.07Å; L71-L82 HydrophobicContact CD2-CB 3.69Å; L71-L82 HydrophobicContact CD2-CD1 4.05Å; L71-E83 HydrophobicContact CD2-CG 4.43Å
72G94.9Very high91.4Very high48 Ų4890.8 Ų90.850%0.49546%0.457SS..Hα-helixtrans-68.9-34.517000000113.4Q68 L69 L70 R79Q68-G72 PolarHBondContact O-N 3.48Å; Q68-G72 VanDerWaalsContact O-N 3.16Å; L69-G72 WeakPolarHBondContact O-CA 3.45Å; L69-G72 PolarHBondContact O-N 2.81Å; L70-G72 PolarHBondContact O-N 3.38Å; G72-R79 PolarHBondContact O-NH2 2.84Å
73W92.5Very high91.5Very high221 Ų22188.3 Ų88.384%0.83745%0.452SS*.Hα-helixtrans-96.4-26.4-171.7-72.858.5000114.1L69 L70L69-W73 PolarHBondContact O-N 2.97Å; L70-W73 PolarHBondContact O-N 3.38Å
74T92.6Very high91.5Very high28 Ų2891.4 Ų91.417%0.17246%0.462CS..SBendtrans-78155.5-176.850.40000113.7L70 E78 R79 L82L70-T74 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-OG1 3.28Å; T74-E78 HydrophobicContact CG2-CB 4.34Å; T74-R79 PolarHBondContact O-NE 3.39Å; T74-R79 PolarHBondContact O-NH2 3.21Å; T74-R79 VanDerWaalsContact O-NH2 3.16Å; T74-L82 HydrophobicContact CG2-CD1 3.82Å
75T93.8Very high91.7Very high83 Ų8392.1 Ų92.151%0.50946%0.461SS..  trans-71.8161.7179.966.80000112.1A77 E78 R79T75-A77 PolarHBondContact O-N 3.28Å; T75-A77 VanDerWaalsContact O-N 3.1Å; T75-E78 VanDerWaalsContact CB-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.48Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.43Å; T75-E78 PolarHBondContact N-OE2 3.23Å; T75-E78 PolarHBondContact O-N 3.48Å; T75-E78 VanDerWaalsContact O-N 3.13Å; T75-E78 WeakPolarHBondContact OG1-CG 3.46Å; T75-E78 PolarHBondContact OG1-OE2 3.47Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 2.89Å
76L90.4Very high91.7Very high147 Ų14792.8 Ų92.877%0.7746%0.456SS*.Hα-helixtrans-58.4-24.3-178.7-85164.7000114.8
77A87.4Confident91.8Very high78 Ų7893.4 Ų93.465%0.64546%0.462SS*.Hα-helixtrans-76.8-48.5174.600000111.5T75 R79 R80T75-A77 PolarHBondContact O-N 3.28Å; T75-A77 VanDerWaalsContact O-N 3.1Å; A77-R79 VanDerWaalsContact C-N 3.31Å; A77-R79 PolarHBondContact O-N 2.92Å; A77-R80 PolarHBondContact O-N 3.39Å
78E90.7Very high91.9Very high94 Ų9495 Ų9544%0.43948%0.477SS..Hα-helixtrans-64.1-34.5178.2-66.1164.2128.600112.3T74 T75 R80 W81 L82T74-E78 HydrophobicContact CG2-CB 4.34Å; T75-E78 VanDerWaalsContact CB-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.48Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.43Å; T75-E78 PolarHBondContact N-OE2 3.23Å; T75-E78 PolarHBondContact O-N 3.48Å; T75-E78 VanDerWaalsContact O-N 3.13Å; T75-E78 WeakPolarHBondContact OG1-CG 3.46Å; T75-E78 PolarHBondContact OG1-OE2 3.47Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.9Å; E78-W81 PolarHBondContact O-N 3.37Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 2.95Å
79R91.8Very high91.9Very high86 Ų8692.8 Ų92.833%0.32547%0.466SS..Hα-helixtrans-56.4-43.5176.7-76.1177.9-164.4-136-5112.5L71 G72 T74 T75 A77 W81 L82 E83L71-R79 HydrophobicContact CD2-CB 4.39Å; L71-R79 HydrophobicContact CD2-CG 4.2Å; L71-R79 PolarHBondContact O-NE 3.49Å; L71-R79 PolarHBondContact O-NH1 3.07Å; L71-R79 PolarHBondContact O-NH2 3.39Å; L71-R79 VanDerWaalsContact O-NH2 3.07Å; G72-R79 PolarHBondContact O-NH2 2.84Å; T74-R79 PolarHBondContact O-NE 3.39Å; T74-R79 PolarHBondContact O-NH2 3.21Å; T74-R79 VanDerWaalsContact O-NH2 3.16Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 2.89Å; A77-R79 VanDerWaalsContact C-N 3.31Å; A77-R79 PolarHBondContact O-N 2.92Å; R79-W81 PolarHBondContact O-N 3.23Å; R79-L82 PolarHBondContact O-N 2.99Å; R79-E83 WeakPolarHBondContact O-CB 3.48Å; R79-E83 VanDerWaalsContact O-CG 3.25Å; R79-E83 WeakPolarHBondContact O-CG 3.28Å; R79-E83 PolarHBondContact O-N 2.91Å
80R90.4Very high91.7Very high180 Ų18090.8 Ų90.868%0.67946%0.46SS*.Hα-helixtrans-62-44.7177.8-71.6-173.1176.8-173.3-0.9112A77 E78 L82 E83 E84A77-R80 PolarHBondContact O-N 3.39Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.9Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 3.37Å; R80-E83 PolarHBondContact O-N 3.47Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 3.35Å
81W91.3Very high91.8Very high168 Ų16895.9 Ų95.964%0.63648%0.476SS*.Hα-helixtrans-64.4-39.2177.6-177.780.1000111.9E78 R79 T85E78-W81 PolarHBondContact O-N 3.37Å; R79-W81 PolarHBondContact O-N 3.23Å; W81-T85 VanDerWaalsContact O-CB 3.25Å; W81-T85 WeakPolarHBondContact O-CB 3.49Å; W81-T85 PolarHBondContact O-N 2.93Å; W81-T85 PolarHBondContact O-OG1 2.96Å
82L93.1Very high91.8Very high34 Ų3499.8 Ų99.818%0.17850%0.496CS..Hα-helixtrans-67.8-37.9173.5-73.4172.7000112.9L71 T74 E78 R79 R80 T85 L86L71-L82 HydrophobicContact CD2-CB 3.69Å; L71-L82 HydrophobicContact CD2-CD1 4.05Å; T74-L82 HydrophobicContact CG2-CD1 3.82Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 2.95Å; R79-L82 PolarHBondContact O-N 2.99Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 3.37Å; L82-T85 PolarHBondContact O-N 2.91Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 PolarHBondContact O-N 3.32Å
83E91.8Very high91.6Very high96 Ų9699.4 Ų99.445%0.44948%0.483SS..Hα-helixtrans-64.9-47.7175.3-76.8166.2-176.400111.2L71 R79 R80 T85 L86 I87L71-E83 HydrophobicContact CD2-CG 4.43Å; R79-E83 WeakPolarHBondContact O-CB 3.48Å; R79-E83 VanDerWaalsContact O-CG 3.25Å; R79-E83 WeakPolarHBondContact O-CG 3.28Å; R79-E83 PolarHBondContact O-N 2.91Å; R80-E83 PolarHBondContact O-N 3.47Å; E83-T85 VanDerWaalsContact C-N 3.35Å; E83-T85 PolarHBondContact O-N 3.03Å; E83-L86 PolarHBondContact O-N 3.38Å; E83-I87 WeakPolarHBondContact O-CB 3.16Å; E83-I87 WeakPolarHBondContact O-CD1 3.36Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.16Å; E83-I87 PolarHBondContact O-N 3.07Å
84E91.6Very high91.5Very high134 Ų13494.8 Ų94.863%0.62647%0.47SS*.Hα-helixtrans-60.7-43.1174.6-72.9175.1-170.400111.7R80 I87 A88R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 3.35Å; E84-I87 PolarHBondContact O-N 3.03Å; E84-A88 WeakPolarHBondContact O-CB 3.36Å; E84-A88 PolarHBondContact O-N 2.95Å
85T91.2Very high91.5Very high62 Ų62102.6 Ų102.638%0.3850%0.497SS..Hα-helixtrans-66-40.5176.9-57.80000111.9W81 L82 E83 A88 F89W81-T85 VanDerWaalsContact O-CB 3.25Å; W81-T85 WeakPolarHBondContact O-CB 3.49Å; W81-T85 PolarHBondContact O-N 2.93Å; W81-T85 PolarHBondContact O-OG1 2.96Å; L82-T85 PolarHBondContact O-N 2.91Å; E83-T85 VanDerWaalsContact C-N 3.35Å; E83-T85 PolarHBondContact O-N 3.03Å; T85-A88 PolarHBondContact O-N 3.09Å; T85-F89 WeakPolarHBondContact O-CB 3.47Å; T85-F89 PolarHBondContact O-N 3.44Å
86L91.7Very high91.4Very high71 Ų71101.2 Ų101.237%0.37249%0.494SS..Hα-helixtrans-64.3-41.7175.3-175.173.2000111.3V67 L82 E83 F89 S90V67-L86 HydrophobicContact CG1-CD1 4.16Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 PolarHBondContact O-N 3.32Å; E83-L86 PolarHBondContact O-N 3.38Å; L86-F89 PolarHBondContact O-N 3.02Å; L86-S90 WeakPolarHBondContact O-CB 3.45Å; L86-S90 PolarHBondContact O-N 2.91Å
87I92.7Very high91.4Very high84 Ų8498.6 Ų98.643%0.43148%0.476SS..Hα-helixtrans-64.3-42.6176.3-70.5163.4000110.6E83 E84 R91E83-I87 WeakPolarHBondContact O-CB 3.16Å; E83-I87 WeakPolarHBondContact O-CD1 3.36Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.16Å; E83-I87 PolarHBondContact O-N 3.07Å; E84-I87 PolarHBondContact O-N 3.03Å; I87-R91 VanDerWaalsContact O-CG 3.29Å; I87-R91 WeakPolarHBondContact O-CG 3.34Å; I87-R91 PolarHBondContact O-N 2.65Å; I87-R91 VanDerWaalsContact O-N 3.07Å
88A92.7Very high91.6Very high58 Ų5897.4 Ų97.448%0.47947%0.466SS..Hα-helixtrans-62.7-45.217500000112.1E84 T85 R91 L92E84-A88 WeakPolarHBondContact O-CB 3.36Å; E84-A88 PolarHBondContact O-N 2.95Å; T85-A88 PolarHBondContact O-N 3.09Å; A88-R91 PolarHBondContact O-N 2.94Å; A88-L92 PolarHBondContact O-N 2.85Å
89F90.7Very high91.5Very high98 Ų9895.3 Ų95.343%0.4347%0.465SS..Hα-helixtrans-65.2-41.4177.9-173.9-116.6000112.5V63 T85 L86 R91 L92 I93V63-F89 HydrophobicContact CG1-CE1 4.48Å; T85-F89 WeakPolarHBondContact O-CB 3.47Å; T85-F89 PolarHBondContact O-N 3.44Å; L86-F89 PolarHBondContact O-N 3.02Å; F89-R91 PolarHBondContact O-N 2.94Å; F89-L92 WeakPolarHBondContact O-CB 3.46Å; F89-L92 PolarHBondContact O-N 3.4Å; F89-I93 HydrophobicContact CD1-CD1 3.7Å; F89-I93 HydrophobicContact CE1-CD1 3.43Å; F89-I93 VanDerWaalsContact CE1-CD1 3.43Å; F89-I93 HydrophobicContact CE2-CD1 4.31Å; F89-I93 HydrophobicContact CG-CD1 4.27Å; F89-I93 HydrophobicContact CZ-CD1 3.76Å; F89-I93 WeakPolarHBondContact O-CG1 3.28Å; F89-I93 PolarHBondContact O-N 3.38Å
90S90.5Very high91.3Very high56 Ų5695.6 Ų95.639%0.39248%0.477SS..Hα-helixtrans-60.8-45.1174.9-165.90000111.6L86 L92 I93 E94L86-S90 WeakPolarHBondContact O-CB 3.45Å; L86-S90 PolarHBondContact O-N 2.91Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.18Å; S90-I93 PolarHBondContact O-N 2.83Å; S90-E94 WeakPolarHBondContact O-CG 3.45Å; S90-E94 PolarHBondContact O-N 2.96Å
91R92.6Very high91.3Very high157 Ų15788.9 Ų88.959%0.59246%0.463SS*.Hα-helixtrans-63.5-33.4175.8-72.4169.9177.7174.31112.8I87 A88 F89 R95I87-R91 VanDerWaalsContact O-CG 3.29Å; I87-R91 WeakPolarHBondContact O-CG 3.34Å; I87-R91 PolarHBondContact O-N 2.65Å; I87-R91 VanDerWaalsContact O-N 3.07Å; A88-R91 PolarHBondContact O-N 2.94Å; F89-R91 PolarHBondContact O-N 2.94Å; R91-R95 WeakPolarHBondContact O-CB 3.34Å; R91-R95 VanDerWaalsContact O-CG 3.28Å; R91-R95 WeakPolarHBondContact O-CG 3.36Å; R91-R95 PolarHBondContact O-N 3.39Å
92L92.8Very high91Very high112 Ų11286.9 Ų86.959%0.58646%0.461SS*.Hα-helixtrans-67.8-43.3174.5-176.563.6000111.4A88 F89 S90 R95 A96A88-L92 PolarHBondContact O-N 2.85Å; F89-L92 WeakPolarHBondContact O-CB 3.46Å; F89-L92 PolarHBondContact O-N 3.4Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.18Å; L92-R95 PolarHBondContact O-N 3.05Å; L92-A96 PolarHBondContact O-N 3.25Å
93I91.1Very high90.6Very high41 Ų4191.1 Ų91.121%0.2148%0.482CS..Hα-helixtrans-63.6-43.9175.3-71.2163000111.3L60 F89 S90 R95 A96 F97L60-I93 HydrophobicContact CD1-CG2 4.17Å; L60-I93 HydrophobicContact CD2-CD1 3.62Å; L60-I93 HydrophobicContact CD2-CG1 4.47Å; F89-I93 HydrophobicContact CD1-CD1 3.7Å; F89-I93 HydrophobicContact CE1-CD1 3.43Å; F89-I93 VanDerWaalsContact CE1-CD1 3.43Å; F89-I93 HydrophobicContact CE2-CD1 4.31Å; F89-I93 HydrophobicContact CG-CD1 4.27Å; F89-I93 HydrophobicContact CZ-CD1 3.76Å; F89-I93 WeakPolarHBondContact O-CG1 3.28Å; F89-I93 PolarHBondContact O-N 3.38Å; S90-I93 PolarHBondContact O-N 2.83Å; I93-R95 PolarHBondContact O-N 3.31Å; I93-A96 PolarHBondContact O-N 3.35Å; I93-F97 HydrophobicContact CG2-CD2 3.62Å; I93-F97 HydrophobicContact CG2-CE2 3.65Å; I93-F97 WeakPolarHBondContact O-CD2 3.18Å; I93-F97 PolarHBondContact O-N 3.28Å
94E91.4Very high90.2Very high123 Ų12390.1 Ų90.158%0.57549%0.486SS*.Hα-helixtrans-59.7-44175.6-74.7173.816600111.7S90 F97 A98S90-E94 WeakPolarHBondContact O-CG 3.45Å; S90-E94 PolarHBondContact O-N 2.96Å; E94-F97 PolarHBondContact O-N 3.46Å; E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 3.07Å
95R92.6Very high89.7Confident192 Ų19286 Ų8673%0.72547%0.474SS*.Hα-helixtrans-62.2-41.8174.1-75.3172175.5-169.7-3.2112.4R91 L92 I93 A98 A99R91-R95 WeakPolarHBondContact O-CB 3.34Å; R91-R95 VanDerWaalsContact O-CG 3.28Å; R91-R95 WeakPolarHBondContact O-CG 3.36Å; R91-R95 PolarHBondContact O-N 3.39Å; L92-R95 PolarHBondContact O-N 3.05Å; I93-R95 PolarHBondContact O-N 3.31Å; R95-A98 PolarHBondContact O-N 3.37Å; R95-A99 WeakPolarHBondContact O-CB 3.25Å; R95-A99 PolarHBondContact O-N 3.07Å
96A91.1Very high89.1Confident54 Ų5489.2 Ų89.245%0.44649%0.486SS..Hα-helixtrans-64.3-45.6177.400000112.1L92 I93 A98 A99 V100L92-A96 PolarHBondContact O-N 3.25Å; I93-A96 PolarHBondContact O-N 3.35Å; A96-A98 PolarHBondContact O-N 3.44Å; A96-A99 PolarHBondContact O-N 3.21Å; A96-V100 WeakPolarHBondContact O-CG2 3.25Å; A96-V100 PolarHBondContact O-N 3.02Å
97F90.5Very high88.4Confident92 Ų9288.7 Ų88.740%0.40450%0.498SS..Hα-helixtrans-66.5-34.9174.9-82.6-64.2000112.8V56 L60 I93 E94 G101V56-F97 HydrophobicContact CG1-CZ 4.08Å; L60-F97 HydrophobicContact CD1-CE2 4.04Å; L60-F97 HydrophobicContact CD1-CZ 4.44Å; I93-F97 HydrophobicContact CG2-CD2 3.62Å; I93-F97 HydrophobicContact CG2-CE2 3.65Å; I93-F97 WeakPolarHBondContact O-CD2 3.18Å; I93-F97 PolarHBondContact O-N 3.28Å; E94-F97 PolarHBondContact O-N 3.46Å; F97-G101 PolarHBondContact O-N 2.63Å
98A90.7Very high87.4Confident53 Ų5392.1 Ų92.144%0.43851%0.51SS..Hα-helixtrans-64-44.5173.300000111.6E94 R95 A96 G101 H102E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 3.07Å; R95-A98 PolarHBondContact O-N 3.37Å; A96-A98 PolarHBondContact O-N 3.44Å; A98-G101 PolarHBondContact O-N 2.8Å; A98-H102 PolarHBondContact O-CD2 3.48Å; A98-H102 PolarHBondContact O-N 2.92Å
99A89.6Confident85.9Confident51 Ų5196.4 Ų96.442%0.42152%0.52SS..Hα-helixtrans-61.4-46.8176.400000112.2R95 A96 G101 H102 I103R95-A99 WeakPolarHBondContact O-CB 3.25Å; R95-A99 PolarHBondContact O-N 3.07Å; A96-A99 PolarHBondContact O-N 3.21Å; A99-G101 VanDerWaalsContact C-N 3.28Å; A99-G101 PolarHBondContact O-N 3.13Å; A99-H102 PolarHBondContact O-N 2.92Å; A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 3.23Å
100V87.8Confident84.4Confident92 Ų9298.6 Ų98.656%0.55854%0.536SS*.Hα-helixtrans-61.1-38.1174.1172.80000111.4A96 S104A96-V100 WeakPolarHBondContact O-CG2 3.25Å; A96-V100 PolarHBondContact O-N 3.02Å; V100-S104 WeakPolarHBondContact O-CB 3.45Å; V100-S104 PolarHBondContact O-N 3.42Å
101G89.1Confident83.1Confident38 Ų38102.9 Ų102.939%0.39256%0.555SS.*Hα-helixtrans-62.4-44.3173.700000113.2F97 A98 A99 S104 A105F97-G101 PolarHBondContact O-N 2.63Å; A98-G101 PolarHBondContact O-N 2.8Å; A99-G101 VanDerWaalsContact C-N 3.28Å; A99-G101 PolarHBondContact O-N 3.13Å; G101-S104 PolarHBondContact O-N 2.71Å; G101-A105 WeakPolarHBondContact O-CB 3.45Å; G101-A105 PolarHBondContact O-N 3.1Å
102H86.4Confident81.5Confident127 Ų127101 Ų10159%0.58856%0.561SS**Hα-helixtrans-64-44.2175.8-89.4-82.9000112.2A98 A99 S104 A105 M106A98-H102 PolarHBondContact O-CD2 3.48Å; A98-H102 PolarHBondContact O-N 2.92Å; A99-H102 PolarHBondContact O-N 2.92Å; H102-S104 VanDerWaalsContact C-N 3.34Å; H102-S104 PolarHBondContact O-N 2.96Å; H102-A105 PolarHBondContact O-N 3.22Å; H102-A105 VanDerWaalsContact O-N 3.1Å; H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.48Å
103I84.3Confident79.3Confident123 Ų12398.9 Ų98.963%0.63157%0.566SS**Hα-helixtrans-59.6-45.6175.2-66163.9000110.4A99 A105 M106 G107A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 3.23Å; I103-A105 PolarHBondContact O-N 2.81Å; I103-M106 PolarHBondContact O-N 3.34Å; I103-G107 PolarHBondContact O-N 2.98Å; I103-G107 VanDerWaalsContact O-N 3.14Å
104S83.1Confident77.7Confident75 Ų75104.6 Ų104.652%0.52460%0.597SS.*Hα-helixtrans-68.2-17.4176.4-177.40000114.5V100 G101 H102V100-S104 WeakPolarHBondContact O-CB 3.45Å; V100-S104 PolarHBondContact O-N 3.42Å; G101-S104 PolarHBondContact O-N 2.71Å; H102-S104 VanDerWaalsContact C-N 3.34Å; H102-S104 PolarHBondContact O-N 2.96Å
105A81Confident76.1Confident46 Ų46105 Ų10538%0.3861%0.608SS.*Hα-helixtrans-88.6-43.8175.600000111.3G101 H102 I103 G107 K108 Q109G101-A105 WeakPolarHBondContact O-CB 3.45Å; G101-A105 PolarHBondContact O-N 3.1Å; H102-A105 PolarHBondContact O-N 3.22Å; H102-A105 VanDerWaalsContact O-N 3.1Å; I103-A105 PolarHBondContact O-N 2.81Å; A105-G107 VanDerWaalsContact C-N 3.28Å; A105-G107 PolarHBondContact O-N 2.93Å; A105-K108 PolarHBondContact O-N 3.47Å; A105-Q109 PolarHBondContact O-N 2.95Å
106M79.8Confident74.4Confident130 Ų130100.4 Ų100.464%0.6461%0.611SS**Hα-helixtrans-57.4-42174.2-75.4178.2162.500111.5H102 I103 K108 Q109H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.48Å; I103-M106 PolarHBondContact O-N 3.34Å; M106-K108 PolarHBondContact O-N 3.42Å; M106-Q109 PolarHBondContact O-N 3.05Å
107G77.1Confident72.9Confident60 Ų60107.1 Ų107.162%0.61963%0.63SS**Hα-helixtrans-655.1174.200000116.2I103 A105I103-G107 PolarHBondContact O-N 2.98Å; I103-G107 VanDerWaalsContact O-N 3.14Å; A105-G107 VanDerWaalsContact C-N 3.28Å; A105-G107 PolarHBondContact O-N 2.93Å
108K71.3Confident71.3Confident157 Ų157111.4 Ų111.468%0.68365%0.651SS**Hα-helixtrans-126.3-7.7177.5-70-170.1174.1-172.30115.3A105 M106A105-K108 PolarHBondContact O-N 3.47Å; M106-K108 PolarHBondContact O-N 3.42Å
109Q60.1Low69.6Low148 Ų148116.2 Ų116.269%0.69267%0.67SS**Hα-helixtrans-90.6-6.6-179.2-70.3-165.1-89.100114.2A105 M106A105-Q109 PolarHBondContact O-N 2.95Å; M106-Q109 PolarHBondContact O-N 3.05Å
110N59.9Low67.9Low144 Ų144119.5 Ų119.577%0.7769%0.689SS**SBendtrans-85.6-14.3-178.6-66.6-9.5000114.1
111D63.4Low67.4Low146 Ų146124.4 Ų124.478%0.78170%0.703SS**SBendtrans-94.3-8-173-66.4-30.4000114.6
112T57.6Low67Low117 Ų117133.5 Ų133.572%0.71873%0.726SS**SBendtrans-96.2100.9175.151.20000110
113G46.6Very low67Low67 Ų67130.9 Ų130.969%0.69172%0.72SS**  trans-77.1142.6-164.700000116.5
114D57.7Low67.2Low161 Ų161128.2 Ų128.286%0.86171%0.709SS**SBendtrans-152.5-14.3152.2-111.5-29.6000112.6A116D114-A116 PolarHBondContact O-N 3.2Å
115V58.9Low67.6Low133 Ų133130.6 Ų130.681%0.80672%0.721SS**  trans-72.58.2178.6-163.20000113.4K117V115-K117 PolarHBondContact O-N 3.23Å
116A57.4Low67.9Low95 Ų95134.8 Ų134.879%0.78573%0.733SS**THydrogen-bonded Turntrans-7320.5-166.200000116.4D114D114-A116 PolarHBondContact O-N 3.2Å
117K58.2Low68.3Low194 Ų194133.6 Ų133.684%0.84373%0.725SS**THydrogen-bonded Turntrans-135.20.8-170.9-77.7-173.5176.6173.80118V115V115-K117 PolarHBondContact O-N 3.23Å
118Q57.9Low68.9Low183 Ų183135.5 Ų135.586%0.85572%0.721SS**THydrogen-bonded Turntrans-127-18.3-179.4-71.8-166.9-29.500117.4
119N55.6Low69.6Low154 Ų154136.1 Ų136.182%0.82472%0.719SS**  trans-110.135.4178.1-76.5-11.3000113.9K121N119-K121 PolarHBondContact O-N 3.33Å
120S52.1Low70.7Confident119 Ų119132.9 Ų132.983%0.83271%0.706SS**  trans-79.748.4178.2-175.20000113.6
121K78.5Confident71.9Confident196 Ų196128.6 Ų128.685%0.85269%0.691SS**PPolyproline II helixtrans-89.6119.6156.1-74.1-171.3175.7-173.40107.1N119N119-K121 PolarHBondContact O-N 3.33Å
122R80.4Confident72.7Confident229 Ų229128.5 Ų128.586%0.86469%0.685SS**PPolyproline II helixtrans-63.4138.5164.3-68.4-179176.7-179.4-1.6107.1T124R122-T124 PolarHBondContact O-N 2.95Å
123P86.3Confident73.3Confident71 Ų71127.8 Ų127.846%0.46168%0.675SS.*PPolyproline II helixtrans-58.5141.3174.826.6-34.5000109.1E127 L128P123-E127 WeakPolarHBondContact CA-OE2 3.48Å; P123-E127 HydrophobicContact CB-CB 4.25Å; P123-L128 HydrophobicContact CB-CD2 4.26Å; P123-L128 HydrophobicContact CB-CG 4.12Å; P123-L128 HydrophobicContact CG-CD1 4.25Å; P123-L128 HydrophobicContact CG-CD2 3.78Å; P123-L128 HydrophobicContact CG-CG 3.92Å
124T89.5Confident74.7Confident67 Ų67130.7 Ų130.741%0.41167%0.674SS.*PPolyproline II helixtrans-67.1159-179.871.20000110.4R122 E126 E127 L128R122-T124 PolarHBondContact O-N 2.95Å; T124-E126 PolarHBondContact O-N 3.1Å; T124-E127 PolarHBondContact N-OE2 3.21Å; T124-E127 PolarHBondContact O-N 3.27Å; T124-E127 VanDerWaalsContact O-N 3.1Å; T124-E127 VanDerWaalsContact OG1-CG 3.29Å; T124-E127 WeakPolarHBondContact OG1-CG 3.29Å; T124-E127 PolarHBondContact OG1-N 2.91Å; T124-L128 PolarHBondContact O-N 3.31Å
125T89.6Confident75.5Confident125 Ų125129.7 Ų129.777%0.76767%0.669SS**Hα-helixtrans-61.4-25.3175.6-43.50000111.9R129T125-R129 VanDerWaalsContact O-CB 3.31Å; T125-R129 WeakPolarHBondContact O-CB 3.44Å; T125-R129 PolarHBondContact O-N 3.03Å
126E87.9Confident76.3Confident135 Ų135127.5 Ų127.563%0.63165%0.652SS**Hα-helixtrans-72-50.1170.2-169.8-169.5-172.200111.5T124 L128 R129 L130T124-E126 PolarHBondContact O-N 3.1Å; E126-L128 VanDerWaalsContact C-N 3.29Å; E126-L128 PolarHBondContact O-N 3.11Å; E126-R129 CarbonylContact O-C 3.59Å; E126-R129 PolarHBondContact O-N 3.04Å; E126-L130 HydrophobicContact CG-CD1 3.9Å; E126-L130 HydrophobicContact CG-CG 4.29Å; E126-L130 WeakPolarHBondContact O-CB 3.4Å; E126-L130 WeakPolarHBondContact O-CG 3.4Å; E126-L130 PolarHBondContact O-N 3.05Å
127E88Confident77.3Confident105 Ų105127 Ų12749%0.49164%0.643SS.*Hα-helixtrans-57.6-40.6178.3-73.5164.3176.300112P123 T124 A131P123-E127 WeakPolarHBondContact CA-OE2 3.48Å; P123-E127 HydrophobicContact CB-CB 4.25Å; T124-E127 PolarHBondContact N-OE2 3.21Å; T124-E127 PolarHBondContact O-N 3.27Å; T124-E127 VanDerWaalsContact O-N 3.1Å; T124-E127 VanDerWaalsContact OG1-CG 3.29Å; T124-E127 WeakPolarHBondContact OG1-CG 3.29Å; T124-E127 PolarHBondContact OG1-N 2.91Å; E127-A131 VanDerWaalsContact O-CB 3.3Å; E127-A131 WeakPolarHBondContact O-CB 3.48Å; E127-A131 PolarHBondContact O-N 3.37Å
128L91.2Very high78.5Confident99 Ų99120.7 Ų120.752%0.51862%0.623SS.*Hα-helixtrans-65.4-41.7174.1-73.6173.7000112.4P123 T124 E126 A131 E132P123-L128 HydrophobicContact CB-CD2 4.26Å; P123-L128 HydrophobicContact CB-CG 4.12Å; P123-L128 HydrophobicContact CG-CD1 4.25Å; P123-L128 HydrophobicContact CG-CD2 3.78Å; P123-L128 HydrophobicContact CG-CG 3.92Å; T124-L128 PolarHBondContact O-N 3.31Å; E126-L128 VanDerWaalsContact C-N 3.29Å; E126-L128 PolarHBondContact O-N 3.11Å; L128-A131 PolarHBondContact O-N 3.06Å; L128-E132 WeakPolarHBondContact O-CB 3.27Å; L128-E132 PolarHBondContact O-N 3.42Å
129R85.3Confident79.8Confident171 Ų171116.3 Ų116.365%0.64560%0.603SS**Hα-helixtrans-67.5-37.8177.1179.1178.4175.7172.10.2112.4T125 E126 E132 M133T125-R129 VanDerWaalsContact O-CB 3.31Å; T125-R129 WeakPolarHBondContact O-CB 3.44Å; T125-R129 PolarHBondContact O-N 3.03Å; E126-R129 CarbonylContact O-C 3.59Å; E126-R129 PolarHBondContact O-N 3.04Å; R129-E132 PolarHBondContact O-N 3.22Å; R129-M133 HydrophobicContact CG-SD 4.4Å; R129-M133 WeakPolarHBondContact O-CB 3.08Å; R129-M133 WeakPolarHBondContact O-CG 3.35Å; R129-M133 PolarHBondContact O-N 3.44Å
130L83.8Confident81.5Confident80 Ų80112 Ų11242%0.41959%0.589SS.*Hα-helixtrans-67.4-41173.8-71.1169.7000110.8E126 M133 L134E126-L130 HydrophobicContact CG-CD1 3.9Å; E126-L130 HydrophobicContact CG-CG 4.29Å; E126-L130 WeakPolarHBondContact O-CB 3.4Å; E126-L130 WeakPolarHBondContact O-CG 3.4Å; E126-L130 PolarHBondContact O-N 3.05Å; L130-M133 PolarHBondContact O-N 3.42Å; L130-L134 WeakPolarHBondContact O-CB 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.23Å; L130-L134 WeakPolarHBondContact O-CG 3.14Å; L130-L134 PolarHBondContact O-N 3.45Å
131A83.4Confident83.5Confident54 Ų54112.4 Ų112.445%0.44658%0.578SS.*Hα-helixtrans-63.9-38.3173.800000112.4E127 L128 L134 N135E127-A131 VanDerWaalsContact O-CB 3.3Å; E127-A131 WeakPolarHBondContact O-CB 3.48Å; E127-A131 PolarHBondContact O-N 3.37Å; L128-A131 PolarHBondContact O-N 3.06Å; A131-L134 PolarHBondContact O-N 2.99Å; A131-N135 WeakPolarHBondContact O-CB 3.3Å; A131-N135 PolarHBondContact O-N 3.5Å
132E80.7Confident84.3Confident144 Ų144104.1 Ų104.167%0.67355%0.545SS*.Hα-helixtrans-63.8-50.2173.9-168.8168.2-147.200111L128 R129 L134 N135 D136L128-E132 WeakPolarHBondContact O-CB 3.27Å; L128-E132 PolarHBondContact O-N 3.42Å; R129-E132 PolarHBondContact O-N 3.22Å; E132-L134 VanDerWaalsContact C-N 3.25Å; E132-L134 PolarHBondContact O-N 3.02Å; E132-N135 PolarHBondContact O-N 2.99Å; E132-N135 VanDerWaalsContact O-N 3.11Å; E132-D136 PolarHBondContact O-N 3.49Å
133M71.4Confident85Confident101 Ų10198.3 Ų98.350%0.49853%0.531SS..Hα-helixtrans-62.3-25.2175.7-74.217751.700114.6R129 L130 Q139R129-M133 HydrophobicContact CG-SD 4.4Å; R129-M133 WeakPolarHBondContact O-CB 3.08Å; R129-M133 WeakPolarHBondContact O-CG 3.35Å; R129-M133 PolarHBondContact O-N 3.44Å; L130-M133 PolarHBondContact O-N 3.42Å; M133-Q139 PolarHBondContact O-NE2 2.95Å
134L75.1Confident85.5Confident129 Ų12999.1 Ų99.168%0.67553%0.534SS*.Hα-helixtrans-89.7-18.3176.1-72.6169.2000113.1L130 A131 E132L130-L134 WeakPolarHBondContact O-CB 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.23Å; L130-L134 WeakPolarHBondContact O-CG 3.14Å; L130-L134 PolarHBondContact O-N 3.45Å; A131-L134 PolarHBondContact O-N 2.99Å; E132-L134 VanDerWaalsContact C-N 3.25Å; E132-L134 PolarHBondContact O-N 3.02Å
135N73.9Confident85.9Confident139 Ų13998.3 Ų98.374%0.74353%0.527SS*.  trans-101.310179.5-168.365.9000112.7A131 E132 S137A131-N135 WeakPolarHBondContact O-CB 3.3Å; A131-N135 PolarHBondContact O-N 3.5Å; E132-N135 PolarHBondContact O-N 2.99Å; E132-N135 VanDerWaalsContact O-N 3.11Å; N135-S137 PolarHBondContact O-N 3.14Å; N135-S137 VanDerWaalsContact O-N 3.08Å
136D76.3Confident86.3Confident87 Ų8794.4 Ų94.447%0.46550%0.5SS..  trans-54.2110.7164.7-89.4-36.6000109.6E132 S138 Q139E132-D136 PolarHBondContact O-N 3.49Å; D136-S138 PolarHBondContact O-N 3.18Å; D136-Q139 PolarHBondContact O-N 2.9Å
137S78.2Confident86.8Confident85 Ų8594.1 Ų94.159%0.59450%0.496SS*.Hα-helixtrans-60.7-22.1-172.460.10000113.7N135 Q139 A140 E141N135-S137 PolarHBondContact O-N 3.14Å; N135-S137 VanDerWaalsContact O-N 3.08Å; S137-Q139 VanDerWaalsContact C-N 3.26Å; S137-Q139 PolarHBondContact O-N 3.36Å; S137-A140 PolarHBondContact O-N 2.98Å; S137-E141 PolarHBondContact O-N 3.11Å
138S83.8Confident87.2Confident61 Ų6192.3 Ų92.343%0.42749%0.49SS..Hα-helixtrans-59.6-30.4172.653.40000113.3D136 A142D136-S138 PolarHBondContact O-N 3.18Å; S138-A142 VanDerWaalsContact O-CB 3.22Å; S138-A142 WeakPolarHBondContact O-CB 3.36Å; S138-A142 PolarHBondContact O-N 2.94Å
139Q85.5Confident87.6Confident91 Ų9187.6 Ų87.643%0.42547%0.465SS..Hα-helixtrans-70.6-40.6174.9-63.4-165.945.300111.6M133 D136 S137 A142 I143M133-Q139 PolarHBondContact O-NE2 2.95Å; D136-Q139 PolarHBondContact O-N 2.9Å; S137-Q139 VanDerWaalsContact C-N 3.26Å; S137-Q139 PolarHBondContact O-N 3.36Å; Q139-A142 PolarHBondContact O-N 3.43Å; Q139-I143 VanDerWaalsContact O-CG1 3.32Å; Q139-I143 WeakPolarHBondContact O-CG1 3.48Å; Q139-I143 PolarHBondContact O-N 3.14Å
140A90.5Very high88.2Confident64 Ų6481.1 Ų81.153%0.52944%0.444SS..Hα-helixtrans-65.4-40.2175.900000111.6S137 V144S137-A140 PolarHBondContact O-N 2.98Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.37Å
141E93.8Very high88.9Confident128 Ų12883.9 Ų83.960%0.59846%0.455SS*.Hα-helixtrans-65.3-43.9172.9-70.1178.916900111.7S137 I143 V144 L145S137-E141 PolarHBondContact O-N 3.11Å; E141-I143 PolarHBondContact O-N 3.05Å; E141-V144 PolarHBondContact O-N 3.07Å; E141-V144 VanDerWaalsContact O-N 3.16Å; E141-L145 WeakPolarHBondContact O-CG 3.46Å; E141-L145 PolarHBondContact O-N 3.48Å
142A94.9Very high89.5Confident21 Ų2186.5 Ų86.517%0.17446%0.461CS..Hα-helixtrans-60.6-41.5178.400000112.8S138 Q139 V144 L145 Q146 L164S138-A142 VanDerWaalsContact O-CB 3.22Å; S138-A142 WeakPolarHBondContact O-CB 3.36Å; S138-A142 PolarHBondContact O-N 2.94Å; Q139-A142 PolarHBondContact O-N 3.43Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-V144 PolarHBondContact O-N 3.14Å; A142-L145 PolarHBondContact O-N 3.45Å; A142-Q146 VanDerWaalsContact O-CB 3.24Å; A142-Q146 WeakPolarHBondContact O-CB 3.29Å; A142-Q146 PolarHBondContact O-N 3.06Å; A142-L164 HydrophobicContact CB-CD2 4.1Å; A142-L164 VanDerWaalsContact O-CD2 3.3Å; A142-L164 WeakPolarHBondContact O-CD2 3.31Å
143I95.8Very high90.3Very high108 Ų10880.8 Ų80.855%0.55444%0.436SS*.Hα-helixtrans-63.4-38.2176-68163.5000111.3Q139 E141 K147Q139-I143 VanDerWaalsContact O-CG1 3.32Å; Q139-I143 WeakPolarHBondContact O-CG1 3.48Å; Q139-I143 PolarHBondContact O-N 3.14Å; E141-I143 PolarHBondContact O-N 3.05Å; I143-K147 PolarHBondContact O-N 3.33Å
144V97.3Very high91.6Very high88 Ų8879.2 Ų79.253%0.53345%0.446SS..Hα-helixtrans-67.8-44.5175.5172.80000111A140 E141 A142 K147 I148A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.37Å; E141-V144 PolarHBondContact O-N 3.07Å; E141-V144 VanDerWaalsContact O-N 3.16Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-V144 PolarHBondContact O-N 3.14Å; V144-K147 PolarHBondContact O-N 3.37Å; V144-I148 HydrophobicContact CG1-CD1 4.03Å; V144-I148 WeakPolarHBondContact O-CG1 3.46Å; V144-I148 PolarHBondContact O-N 3.3Å
145L97.6Very high92.7Very high49 Ų4974.7 Ų74.726%0.25742%0.424SS..Hα-helixtrans-63.9-44.9177.1-68.1179.1000112E141 A142 K147 I148 I149 L164 F171E141-L145 WeakPolarHBondContact O-CG 3.46Å; E141-L145 PolarHBondContact O-N 3.48Å; A142-L145 PolarHBondContact O-N 3.45Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.96Å; L145-I148 PolarHBondContact O-N 3.36Å; L145-I148 VanDerWaalsContact O-N 3.12Å; L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.28Å; L145-I149 PolarHBondContact O-N 3.45Å; L145-L164 HydrophobicContact CB-CD1 4.15Å; L145-L164 HydrophobicContact CB-CD2 3.83Å; L145-L164 HydrophobicContact CD1-CD1 4.21Å; L145-F171 HydrophobicContact CD2-CB 4.15Å; L145-F171 HydrophobicContact CD2-CD2 4.05Å; L145-F171 HydrophobicContact CD2-CG 4.3Å
146Q97.8Very high93.8Very high44 Ų4474.2 Ų74.221%0.20642%0.422CS..Hα-helixtrans-51.8-47.4174.8-180-166.90.600110.9A142 I149 V150 E157 A160 A161 L164A142-Q146 VanDerWaalsContact O-CB 3.24Å; A142-Q146 WeakPolarHBondContact O-CB 3.29Å; A142-Q146 PolarHBondContact O-N 3.06Å; Q146-I149 WeakPolarHBondContact O-CB 3.41Å; Q146-I149 PolarHBondContact O-N 3.42Å; Q146-V150 WeakPolarHBondContact O-CG2 3.49Å; Q146-V150 PolarHBondContact O-N 3.22Å; Q146-E157 PolarHBondContact NE2-O 2.89Å; Q146-A160 HydrophobicContact CG-CB 4.09Å; Q146-A161 HydrophobicContact CG-CB 4.28Å; Q146-L164 HydrophobicContact CB-CD2 4.34Å
147K98.1Very high94.8Very high128 Ų12876.7 Ų76.756%0.55743%0.431SS*.Hα-helixtrans-64.6-41.1178.5-179.6165177.1165.50112.9I143 V144 L145 I149 V150 E151I143-K147 PolarHBondContact O-N 3.33Å; V144-K147 PolarHBondContact O-N 3.37Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.96Å; K147-I149 VanDerWaalsContact C-N 3.3Å; K147-I149 PolarHBondContact O-N 2.9Å; K147-V150 PolarHBondContact O-N 3.32Å; K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 IonicContact NZ-OE1 2.75Å; K147-E151 WeakPolarHBondContact O-CG 3.27Å; K147-E151 PolarHBondContact O-N 2.94Å
148I97.8Very high95.7Very high68 Ų6874.8 Ų74.835%0.34943%0.425SS..Hα-helixtrans-66.1-36176.8-58.9163.2000110.4V144 L145 E151 L152 F171V144-I148 HydrophobicContact CG1-CD1 4.03Å; V144-I148 WeakPolarHBondContact O-CG1 3.46Å; V144-I148 PolarHBondContact O-N 3.3Å; L145-I148 PolarHBondContact O-N 3.36Å; L145-I148 VanDerWaalsContact O-N 3.12Å; I148-E151 PolarHBondContact O-N 3.1Å; I148-L152 HydrophobicContact CG2-CD1 4.31Å; I148-L152 HydrophobicContact CG2-CG 4.45Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 3.04Å; I148-F171 HydrophobicContact CB-CE2 3.86Å; I148-F171 HydrophobicContact CB-CZ 4.47Å; I148-F171 HydrophobicContact CG2-CE2 3.51Å; I148-F171 HydrophobicContact CG2-CZ 3.62Å
149I98.1Very high96.4Very high0 Ų076.3 Ų76.30%043%0.428CS..Hα-helixtrans-62.8-44.5174.5-68.1161.7000110.9L145 Q146 K147 L152 T153 A160 L164 F171 A174 V175 L178L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.28Å; L145-I149 PolarHBondContact O-N 3.45Å; Q146-I149 WeakPolarHBondContact O-CB 3.41Å; Q146-I149 PolarHBondContact O-N 3.42Å; K147-I149 VanDerWaalsContact C-N 3.3Å; K147-I149 PolarHBondContact O-N 2.9Å; I149-L152 PolarHBondContact O-N 3.26Å; I149-T153 HydrophobicContact CG2-CG2 4.15Å; I149-T153 WeakPolarHBondContact O-CB 3.34Å; I149-T153 WeakPolarHBondContact O-CG2 2.93Å; I149-T153 PolarHBondContact O-N 3.24Å; I149-T153 PolarHBondContact O-OG1 3.2Å; I149-A160 HydrophobicContact CB-CB 4.15Å; I149-A160 HydrophobicContact CG2-CB 3.72Å; I149-L164 HydrophobicContact CD1-CB 3.94Å; I149-L164 HydrophobicContact CD1-CD1 3.86Å; I149-L164 HydrophobicContact CD1-CD2 4.44Å; I149-L164 HydrophobicContact CD1-CG 4.3Å; I149-F171 HydrophobicContact CD1-CD2 4.12Å; I149-F171 HydrophobicContact CG1-CD2 3.64Å; I149-F171 HydrophobicContact CG1-CE2 3.74Å; I149-A174 HydrophobicContact CD1-CB 3.62Å; I149-A174 HydrophobicContact CG1-CB 4.44Å; I149-V175 HydrophobicContact CG1-CG2 3.98Å; I149-L178 HydrophobicContact CG2-CD1 3.43Å; I149-L178 VanDerWaalsContact CG2-CD1 3.43Å
150V98.2Very high97Very high34 Ų3472 Ų7221%0.20641%0.408CS..Hα-helixtrans-59.2-47.6173.8170.30000111.1Q146 K147 L152 G154 E157 A160Q146-V150 WeakPolarHBondContact O-CG2 3.49Å; Q146-V150 PolarHBondContact O-N 3.22Å; K147-V150 PolarHBondContact O-N 3.32Å; V150-L152 VanDerWaalsContact C-N 3.29Å; V150-L152 PolarHBondContact O-N 3.48Å; V150-G154 WeakPolarHBondContact O-CA 3.39Å; V150-G154 PolarHBondContact O-N 2.87Å; V150-E157 HydrophobicContact CG2-CB 4.42Å; V150-E157 HydrophobicContact CG2-CG 4.01Å; V150-A160 HydrophobicContact CG2-CB 3.48Å; V150-A160 VanDerWaalsContact CG2-CB 3.48Å
151E98.1Very high97.4Very high138 Ų13870.7 Ų70.765%0.64540%0.397SS*.Hα-helixtrans-65.2-27.4-179-73.2179.4-167.600113.5K147 I148K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 IonicContact NZ-OE1 2.75Å; K147-E151 WeakPolarHBondContact O-CG 3.27Å; K147-E151 PolarHBondContact O-N 2.94Å; I148-E151 PolarHBondContact O-N 3.1Å
152L97.7Very high97.6Very high109 Ų10968.6 Ų68.657%0.57139%0.393SS*.Hα-helixtrans-90.1-38.6176.7-70.7-176.2000114.7I148 I149 V150 F171 V175I148-L152 HydrophobicContact CG2-CD1 4.31Å; I148-L152 HydrophobicContact CG2-CG 4.45Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 3.04Å; I149-L152 PolarHBondContact O-N 3.26Å; V150-L152 VanDerWaalsContact C-N 3.29Å; V150-L152 PolarHBondContact O-N 3.48Å; L152-F171 HydrophobicContact CD1-CE1 4.43Å; L152-F171 HydrophobicContact CD1-CE2 4.46Å; L152-F171 HydrophobicContact CD1-CZ 3.64Å; L152-V175 HydrophobicContact CD1-CG2 4.41Å
153T97.6Very high97.7Very high24 Ų2468 Ų6815%0.14739%0.389CS..Hα-helixtrans-93.7-26.1-172.862.60000112.9I149 C155 V175 L178 L179I149-T153 HydrophobicContact CG2-CG2 4.15Å; I149-T153 WeakPolarHBondContact O-CB 3.34Å; I149-T153 WeakPolarHBondContact O-CG2 2.93Å; I149-T153 PolarHBondContact O-N 3.24Å; I149-T153 PolarHBondContact O-OG1 3.2Å; T153-C155 PolarHBondContact O-N 3.33Å; T153-C155 PolarHBondContact OG1-N 3.07Å; T153-V175 HydrophobicContact CG2-CB 4.49Å; T153-V175 HydrophobicContact CG2-CG1 4.19Å; T153-V175 HydrophobicContact CG2-CG2 4.4Å; T153-L178 HydrophobicContact CG2-CB 3.87Å; T153-L178 HydrophobicContact CG2-CD1 3.98Å; T153-L179 HydrophobicContact CG2-CD2 4.21Å; T153-L179 HydrophobicContact CG2-CG 4.23Å
154G97.6Very high97.8Very high69 Ų6963.1 Ų63.171%0.71136%0.363SS*.  trans70.813.3-171.800000114.2V150V150-G154 WeakPolarHBondContact O-CA 3.39Å; V150-G154 PolarHBondContact O-N 2.87Å
155C97.4Very high97.8Very high33 Ų3365.4 Ų65.422%0.22337%0.368CS..  trans-77.8159.1171.8-67.90000111.7T153 D159 L178T153-C155 PolarHBondContact O-N 3.33Å; T153-C155 PolarHBondContact OG1-N 3.07Å; C155-D159 HydrophobicContact CB-CB 4.17Å; C155-L178 HydrophobicContact CB-CD1 4.28Å; C155-L178 HydrophobicContact CB-CD2 4.42Å
156D97.8Very high97.8Very high129 Ų12966.8 Ų66.869%0.6938%0.376SS*.  trans-66.7153.2176.9-73.5-36.8000111.5G158 D159 A160D156-G158 PolarHBondContact O-N 3.01Å; D156-G158 VanDerWaalsContact O-N 3.08Å; D156-D159 PolarHBondContact O-N 2.65Å; D156-A160 PolarHBondContact O-N 3.01Å
157E97.6Very high97.8Very high139 Ų13964.8 Ų64.865%0.6537%0.366SS*.Hα-helixtrans-55-31.2-177.6-70.5178.4172.300113.5Q146 V150 A161Q146-E157 PolarHBondContact NE2-O 2.89Å; V150-E157 HydrophobicContact CG2-CB 4.42Å; V150-E157 HydrophobicContact CG2-CG 4.01Å; E157-A161 PolarHBondContact O-N 3.2Å; E157-A161 VanDerWaalsContact O-N 3.08Å
158G97.8Very high97.8Very high46 Ų4665.7 Ų65.747%0.47438%0.378SS..Hα-helixtrans-69.9-43.8175.500000113.4D156 A160 A161 V162D156-G158 PolarHBondContact O-N 3.01Å; D156-G158 VanDerWaalsContact O-N 3.08Å; G158-A160 VanDerWaalsContact C-N 3.32Å; G158-A160 PolarHBondContact O-N 3.36Å; G158-A161 PolarHBondContact O-N 2.78Å; G158-V162 WeakPolarHBondContact O-CG2 3.43Å; G158-V162 PolarHBondContact O-N 2.66Å
159D97.8Very high97.7Very high92 Ų9266.4 Ų66.449%0.49238%0.382SS..Hα-helixtrans-65.2-39.4176.9-73.8-8.3000110.6C155 D156 V162 A163 L178C155-D159 HydrophobicContact CB-CB 4.17Å; D156-D159 PolarHBondContact O-N 2.65Å; D159-V162 PolarHBondContact O-N 3.33Å; D159-A163 VanDerWaalsContact O-CB 3.24Å; D159-A163 WeakPolarHBondContact O-CB 3.36Å; D159-A163 PolarHBondContact O-N 3.07Å; D159-L178 HydrophobicContact CB-CD2 4.33Å
160A98.1Very high97.7Very high0 Ų069 Ų690%040%0.396CS..Hα-helixtrans-63.5-39.7174.300000112.9Q146 I149 V150 D156 G158 L164Q146-A160 HydrophobicContact CG-CB 4.09Å; I149-A160 HydrophobicContact CB-CB 4.15Å; I149-A160 HydrophobicContact CG2-CB 3.72Å; V150-A160 HydrophobicContact CG2-CB 3.48Å; V150-A160 VanDerWaalsContact CG2-CB 3.48Å; D156-A160 PolarHBondContact O-N 3.01Å; G158-A160 VanDerWaalsContact C-N 3.32Å; G158-A160 PolarHBondContact O-N 3.36Å; A160-L164 VanDerWaalsContact O-CB 3.27Å; A160-L164 WeakPolarHBondContact O-CB 3.48Å; A160-L164 PolarHBondContact O-N 2.84Å
161A98Very high97.7Very high37 Ų3770.1 Ų70.131%0.30640%0.398SS..Hα-helixtrans-66.1-44.5175.700000112.2Q146 E157 G158 L164 H165Q146-A161 HydrophobicContact CG-CB 4.28Å; E157-A161 PolarHBondContact O-N 3.2Å; E157-A161 VanDerWaalsContact O-N 3.08Å; G158-A161 PolarHBondContact O-N 2.78Å; A161-L164 PolarHBondContact O-N 3.27Å; A161-H165 VanDerWaalsContact O-CB 3.31Å; A161-H165 WeakPolarHBondContact O-CB 3.23Å; A161-H165 PolarHBondContact O-N 3.18Å
162V97.8Very high97.7Very high84 Ų8470.2 Ų70.251%0.50940%0.399SS..Hα-helixtrans-66.2-43.4177.7173.60000111G158 D159 L164 H165 D166G158-V162 WeakPolarHBondContact O-CG2 3.43Å; G158-V162 PolarHBondContact O-N 2.66Å; D159-V162 PolarHBondContact O-N 3.33Å; V162-L164 PolarHBondContact O-N 2.84Å; V162-H165 PolarHBondContact O-N 3.41Å; V162-D166 WeakPolarHBondContact O-CB 3.33Å; V162-D166 PolarHBondContact O-N 3.08Å
163A98Very high97.7Very high10 Ų1069.8 Ų69.88%0.08339%0.392CS..Hα-helixtrans-62.2-40.8176.900000112.4D159 A167 A174 L178D159-A163 VanDerWaalsContact O-CB 3.24Å; D159-A163 WeakPolarHBondContact O-CB 3.36Å; D159-A163 PolarHBondContact O-N 3.07Å; A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 2.92Å; A163-A167 VanDerWaalsContact O-N 3.17Å; A163-A174 HydrophobicContact CB-CB 4.28Å; A163-L178 HydrophobicContact CB-CD1 3.78Å; A163-L178 HydrophobicContact CB-CD2 3.97Å; A163-L178 HydrophobicContact CB-CG 3.74Å
164L98.2Very high97.7Very high5 Ų568.7 Ų68.73%0.02639%0.385CS..Hα-helixtrans-66.8-46.4175.9-177.365.6000112A142 L145 Q146 I149 A160 A161 V162 A167 N169 A174A142-L164 HydrophobicContact CB-CD2 4.1Å; A142-L164 VanDerWaalsContact O-CD2 3.3Å; A142-L164 WeakPolarHBondContact O-CD2 3.31Å; L145-L164 HydrophobicContact CB-CD1 4.15Å; L145-L164 HydrophobicContact CB-CD2 3.83Å; L145-L164 HydrophobicContact CD1-CD1 4.21Å; Q146-L164 HydrophobicContact CB-CD2 4.34Å; I149-L164 HydrophobicContact CD1-CB 3.94Å; I149-L164 HydrophobicContact CD1-CD1 3.86Å; I149-L164 HydrophobicContact CD1-CD2 4.44Å; I149-L164 HydrophobicContact CD1-CG 4.3Å; A160-L164 VanDerWaalsContact O-CB 3.27Å; A160-L164 WeakPolarHBondContact O-CB 3.48Å; A160-L164 PolarHBondContact O-N 2.84Å; A161-L164 PolarHBondContact O-N 3.27Å; V162-L164 PolarHBondContact O-N 2.84Å; L164-A167 PolarHBondContact O-N 2.95Å; L164-N169 HydrophobicContact CD1-CB 4.32Å; L164-N169 VanDerWaalsContact O-CA 3.29Å; L164-N169 WeakPolarHBondContact O-CA 3.32Å; L164-N169 PolarHBondContact O-N 3.21Å; L164-A174 HydrophobicContact CB-CB 4.38Å; L164-A174 HydrophobicContact CD1-CB 4.41Å
165H97.5Very high97.7Very high135 Ų13566.2 Ų66.263%0.62536%0.356SS*.Hα-helixtrans-59.4-51.7177174.5-86.1000111.7A161 V162 A167 D168A161-H165 VanDerWaalsContact O-CB 3.31Å; A161-H165 WeakPolarHBondContact O-CB 3.23Å; A161-H165 PolarHBondContact O-N 3.18Å; V162-H165 PolarHBondContact O-N 3.41Å; H165-A167 PolarHBondContact O-N 2.58Å; H165-A167 VanDerWaalsContact O-N 3.15Å; H165-D168 PolarHBondContact O-N 3.03Å; H165-D168 VanDerWaalsContact O-N 3.08Å
166D97.6Very high97.8Very high79 Ų7968.8 Ų68.842%0.42237%0.368SS..THydrogen-bonded Turntrans-73.4-5.9-177.8-67.9-2000112.9V162 R177V162-D166 WeakPolarHBondContact O-CB 3.33Å; V162-D166 PolarHBondContact O-N 3.08Å; D166-R177 VanDerWaalsContact CB-NH1 3.25Å; D166-R177 PolarHBondContact O-NH1 3.35Å; D166-R177 PolarHBondContact O-NH2 3.37Å
167A97.5Very high97.7Very high1 Ų168.2 Ų68.21%0.00836%0.356CS..THydrogen-bonded Turntrans-96.29.2171.800000113.6A163 L164 H165 N169 D170 K173 A174A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 2.92Å; A163-A167 VanDerWaalsContact O-N 3.17Å; L164-A167 PolarHBondContact O-N 2.95Å; H165-A167 PolarHBondContact O-N 2.58Å; H165-A167 VanDerWaalsContact O-N 3.15Å; A167-N169 VanDerWaalsContact C-N 3.28Å; A167-N169 PolarHBondContact O-N 3.04Å; A167-D170 HydrophobicContact CB-CB 4.47Å; A167-D170 WeakPolarHBondContact CB-O 2.88Å; A167-D170 WeakPolarHBondContact O-CB 3.22Å; A167-D170 PolarHBondContact O-N 3.23Å; A167-D170 VanDerWaalsContact O-N 3.08Å; A167-K173 HydrophobicContact CB-CB 3.91Å; A167-A174 HydrophobicContact CB-CB 4.08Å
168D97.3Very high97.7Very high148 Ų14863.4 Ų63.479%0.79133%0.334SS*.THydrogen-bonded Turntrans59.835.1-173.2-55.7-58.4000112.8H165 D170H165-D168 PolarHBondContact O-N 3.03Å; H165-D168 VanDerWaalsContact O-N 3.08Å; D168-D170 PolarHBondContact O-N 2.95Å
169N96.5Very high97.6Very high82 Ų8266.4 Ų66.444%0.43934%0.339SS..THydrogen-bonded Turntrans62.816.4-169.9-57.5-56.6000115.6L164 A167 F171L164-N169 HydrophobicContact CD1-CB 4.32Å; L164-N169 VanDerWaalsContact O-CA 3.29Å; L164-N169 WeakPolarHBondContact O-CA 3.32Å; L164-N169 PolarHBondContact O-N 3.21Å; A167-N169 VanDerWaalsContact C-N 3.28Å; A167-N169 PolarHBondContact O-N 3.04Å; N169-F171 PolarHBondContact O-N 3.36Å
170D97.7Very high97.4Very high56 Ų5669.8 Ų69.830%0.29935%0.352SS..  trans-77.3110.3171.8-169.4-39.9000111.4A167 D168 E172 K173 A174A167-D170 HydrophobicContact CB-CB 4.47Å; A167-D170 WeakPolarHBondContact CB-O 2.88Å; A167-D170 WeakPolarHBondContact O-CB 3.22Å; A167-D170 PolarHBondContact O-N 3.23Å; A167-D170 VanDerWaalsContact O-N 3.08Å; D168-D170 PolarHBondContact O-N 2.95Å; D170-E172 PolarHBondContact O-N 3.25Å; D170-E172 PolarHBondContact OD1-N 3.11Å; D170-K173 HydrophobicContact CB-CB 4.17Å; D170-K173 HydrophobicContact CB-CD 4.29Å; D170-K173 HydrophobicContact CB-CG 4.11Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K173 PolarHBondContact OD1-N 2.98Å; D170-K173 IonicContact OD2-NZ 3.81Å; D170-K173 PolarHBondContact OD2-NZ 2.9Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.13Å
171F97.7Very high96.5Very high56 Ų5671.3 Ų71.325%0.24637%0.368CS..Hα-helixtrans-56.6-43.8179172.3-99.8000114.1L145 I148 I149 L152 N169 A174 V175L145-F171 HydrophobicContact CD2-CB 4.15Å; L145-F171 HydrophobicContact CD2-CD2 4.05Å; L145-F171 HydrophobicContact CD2-CG 4.3Å; I148-F171 HydrophobicContact CB-CE2 3.86Å; I148-F171 HydrophobicContact CB-CZ 4.47Å; I148-F171 HydrophobicContact CG2-CE2 3.51Å; I148-F171 HydrophobicContact CG2-CZ 3.62Å; I149-F171 HydrophobicContact CD1-CD2 4.12Å; I149-F171 HydrophobicContact CG1-CD2 3.64Å; I149-F171 HydrophobicContact CG1-CE2 3.74Å; L152-F171 HydrophobicContact CD1-CE1 4.43Å; L152-F171 HydrophobicContact CD1-CE2 4.46Å; L152-F171 HydrophobicContact CD1-CZ 3.64Å; N169-F171 PolarHBondContact O-N 3.36Å; F171-A174 PolarHBondContact O-N 3.44Å; F171-V175 HydrophobicContact CD2-CG2 4.44Å; F171-V175 HydrophobicContact CE1-CG2 4.39Å; F171-V175 HydrophobicContact CE2-CG2 4.07Å; F171-V175 HydrophobicContact CZ-CG2 4.06Å; F171-V175 WeakPolarHBondContact O-CG2 3.35Å; F171-V175 PolarHBondContact O-N 3.27Å
172E97.9Very high95Very high141 Ų14174.4 Ų74.466%0.65938%0.38SS*.Hα-helixtrans-68.7-45.8-176-64.8-173.5165.700109.6D170 A174 V175 D176D170-E172 PolarHBondContact O-N 3.25Å; D170-E172 PolarHBondContact OD1-N 3.11Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 2.97Å; E172-V175 PolarHBondContact O-N 3.43Å; E172-D176 WeakPolarHBondContact O-CB 3.29Å; E172-D176 PolarHBondContact O-N 2.8Å
173K98Very high93.1Very high100 Ų10079.5 Ų79.544%0.43540%0.395SS..Hα-helixtrans-62.7-33.1174.9-62.4-166.6-161.781.60113.4A167 D170 R177A167-K173 HydrophobicContact CB-CB 3.91Å; D170-K173 HydrophobicContact CB-CB 4.17Å; D170-K173 HydrophobicContact CB-CD 4.29Å; D170-K173 HydrophobicContact CB-CG 4.11Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K173 PolarHBondContact OD1-N 2.98Å; D170-K173 IonicContact OD2-NZ 3.81Å; D170-K173 PolarHBondContact OD2-NZ 2.9Å; K173-R177 WeakPolarHBondContact O-CG 3.4Å; K173-R177 PolarHBondContact O-N 3.45Å
174A98.2Very high90.9Very high0 Ų087 Ų870%043%0.428CS..Hα-helixtrans-70.4-42.8178.100000111.7I149 A163 L164 A167 D170 F171 E172 L178I149-A174 HydrophobicContact CD1-CB 3.62Å; I149-A174 HydrophobicContact CG1-CB 4.44Å; A163-A174 HydrophobicContact CB-CB 4.28Å; L164-A174 HydrophobicContact CB-CB 4.38Å; L164-A174 HydrophobicContact CD1-CB 4.41Å; A167-A174 HydrophobicContact CB-CB 4.08Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.13Å; F171-A174 PolarHBondContact O-N 3.44Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 2.97Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.11Å
175V98.2Very high89.1Confident17 Ų1789.3 Ų89.310%0.10345%0.453CS..Hα-helixtrans-62.8-48172171.80000110.5I149 L152 T153 F171 E172 R177 L178 L179I149-V175 HydrophobicContact CG1-CG2 3.98Å; L152-V175 HydrophobicContact CD1-CG2 4.41Å; T153-V175 HydrophobicContact CG2-CB 4.49Å; T153-V175 HydrophobicContact CG2-CG1 4.19Å; T153-V175 HydrophobicContact CG2-CG2 4.4Å; F171-V175 HydrophobicContact CD2-CG2 4.44Å; F171-V175 HydrophobicContact CE1-CG2 4.39Å; F171-V175 HydrophobicContact CE2-CG2 4.07Å; F171-V175 HydrophobicContact CZ-CG2 4.06Å; F171-V175 WeakPolarHBondContact O-CG2 3.35Å; F171-V175 PolarHBondContact O-N 3.27Å; E172-V175 PolarHBondContact O-N 3.43Å; V175-R177 PolarHBondContact O-N 3.47Å; V175-L178 PolarHBondContact O-N 3.31Å; V175-L179 HydrophobicContact CG1-CD1 3.57Å; V175-L179 HydrophobicContact CG1-CG 4.09Å; V175-L179 WeakPolarHBondContact O-CB 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 3.18Å
176D97.6Very high87Confident88 Ų8890.3 Ų90.347%0.47146%0.458SS..Hα-helixtrans-57.5-48.3179.6-76.1-19.1000111.6E172 L178 L179 E180E172-D176 WeakPolarHBondContact O-CB 3.29Å; E172-D176 PolarHBondContact O-N 2.8Å; D176-L178 VanDerWaalsContact C-N 3.28Å; D176-L178 PolarHBondContact O-N 2.9Å; D176-L179 PolarHBondContact O-N 3.38Å; D176-E180 VanDerWaalsContact O-CB 3.28Å; D176-E180 WeakPolarHBondContact O-CB 3.45Å; D176-E180 WeakPolarHBondContact O-CG 3.3Å; D176-E180 PolarHBondContact O-N 3.34Å
177R96.1Very high84.9Confident117 Ų11798 Ų9844%0.44248%0.481SS..Hα-helixtrans-60.2-34.9178.9-76.9-174.5-170171.613.5114.1D166 K173 V175 G181D166-R177 VanDerWaalsContact CB-NH1 3.25Å; D166-R177 PolarHBondContact O-NH1 3.35Å; D166-R177 PolarHBondContact O-NH2 3.37Å; K173-R177 WeakPolarHBondContact O-CG 3.4Å; K173-R177 PolarHBondContact O-N 3.45Å; V175-R177 PolarHBondContact O-N 3.47Å; R177-G181 PolarHBondContact O-N 2.87Å
178L97.4Very high82.7Confident37 Ų37103.7 Ų103.719%0.19451%0.51CS..Hα-helixtrans-76.5-35.5178-68.2172.7000111.9I149 T153 C155 D159 A163 A174 V175 D176 G181I149-L178 HydrophobicContact CG2-CD1 3.43Å; I149-L178 VanDerWaalsContact CG2-CD1 3.43Å; T153-L178 HydrophobicContact CG2-CB 3.87Å; T153-L178 HydrophobicContact CG2-CD1 3.98Å; C155-L178 HydrophobicContact CB-CD1 4.28Å; C155-L178 HydrophobicContact CB-CD2 4.42Å; D159-L178 HydrophobicContact CB-CD2 4.33Å; A163-L178 HydrophobicContact CB-CD1 3.78Å; A163-L178 HydrophobicContact CB-CD2 3.97Å; A163-L178 HydrophobicContact CB-CG 3.74Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.11Å; V175-L178 PolarHBondContact O-N 3.31Å; D176-L178 VanDerWaalsContact C-N 3.28Å; D176-L178 PolarHBondContact O-N 2.9Å; L178-G181 PolarHBondContact O-N 3.02Å
179L97Very high81.3Confident110 Ų110102.9 Ų102.958%0.57651%0.51SS*.Hα-helixtrans-82.3-37.4179.8-66.8-176.2000114.1T153 V175 D176 G181T153-L179 HydrophobicContact CG2-CD2 4.21Å; T153-L179 HydrophobicContact CG2-CG 4.23Å; V175-L179 HydrophobicContact CG1-CD1 3.57Å; V175-L179 HydrophobicContact CG1-CG 4.09Å; V175-L179 WeakPolarHBondContact O-CB 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 3.18Å; D176-L179 PolarHBondContact O-N 3.38Å; L179-G181 PolarHBondContact O-N 3.16Å
180E93.3Very high79.4Confident162 Ų162107 Ų10776%0.75752%0.524SS*.THydrogen-bonded Turntrans-61.5-21.6168.3-70.7-170.1148.800111D176D176-E180 VanDerWaalsContact O-CB 3.28Å; D176-E180 WeakPolarHBondContact O-CB 3.45Å; D176-E180 WeakPolarHBondContact O-CG 3.3Å; D176-E180 PolarHBondContact O-N 3.34Å
181G79Confident77.5Confident33 Ų33110.8 Ų110.834%0.3454%0.54SS..THydrogen-bonded Turntrans70.340.2161.100000112.9R177 L178 L179 K183R177-G181 PolarHBondContact O-N 2.87Å; L178-G181 PolarHBondContact O-N 3.02Å; L179-G181 PolarHBondContact O-N 3.16Å; G181-K183 PolarHBondContact O-N 3.42Å
182D65.8Low75.2Confident102 Ų102114.4 Ų114.455%0.54557%0.566SS.*  trans-75.365.2-174.6-155.917.2000112.3Q184 G185D182-Q184 PolarHBondContact O-N 3.21Å; D182-Q184 WeakPolarHBondContact OD1-CG 3.24Å; D182-Q184 PolarHBondContact OD1-NE2 3.45Å; D182-G185 PolarHBondContact O-N 3.31Å
183K58.8Low73.2Confident191 Ų191116.9 Ų116.983%0.8357%0.57SS**G310 helixtrans-63.36.9176.3-64.8178.6-177-175.40113.5G181 G185G181-K183 PolarHBondContact O-N 3.42Å; K183-G185 PolarHBondContact O-N 2.89Å
184Q52.4Low71.2Confident168 Ų168121.3 Ų121.379%0.78559%0.589SS**G310 helixtrans-67.1-12.3161.3-61.4-177.374.500112.2D182 E186D182-Q184 PolarHBondContact O-N 3.21Å; D182-Q184 WeakPolarHBondContact OD1-CG 3.24Å; D182-Q184 PolarHBondContact OD1-NE2 3.45Å; Q184-E186 PolarHBondContact O-N 3.49Å
185G58.5Low68.9Low53 Ų53128.4 Ų128.455%0.54663%0.627SS.*G310 helixtrans-68.49.3169.300000116.4D182 K183 W187D182-G185 PolarHBondContact O-N 3.31Å; K183-G185 PolarHBondContact O-N 2.89Å; G185-W187 PolarHBondContact O-N 3.28Å
186E55.1Low66.8Low156 Ų156138.1 Ų138.173%0.72966%0.662SS**  trans-57.5113.4163.1-174.9-179.6-119.100108Q184 I188Q184-E186 PolarHBondContact O-N 3.49Å; E186-I188 PolarHBondContact O-N 3.28Å
187W53.9Low64.7Low241 Ų241144.6 Ų144.691%0.91368%0.68SS**  trans-69.480.4-178.4-80.182.6000110.2G185 V189G185-W187 PolarHBondContact O-N 3.28Å; W187-V189 VanDerWaalsContact C-N 3.3Å; W187-V189 PolarHBondContact O-N 3.46Å
188I51Low62.8Low119 Ų119150.1 Ų150.161%0.6170%0.7SS**  trans-61.397.3170.7-56.9176.4000106.9E186 K190E186-I188 PolarHBondContact O-N 3.28Å; I188-K190 HydrophobicContact CG2-CG 4.04Å; I188-K190 PolarHBondContact O-N 3.34Å
189V67.1Low60.7Low131 Ų131155.2 Ų155.279%0.79473%0.728SS**  trans-64.282.8168.8-177.60000107.2W187 E191W187-V189 VanDerWaalsContact C-N 3.3Å; W187-V189 PolarHBondContact O-N 3.46Å; V189-E191 VanDerWaalsContact C-N 3.27Å; V189-E191 PolarHBondContact O-N 3.39Å
190K55.8Low58.2Low169 Ų169157.7 Ų157.774%0.73574%0.742SS**  trans-63.395.2169.4-79.7174.8178.6158.40106.5I188 V192I188-K190 HydrophobicContact CG2-CG 4.04Å; I188-K190 PolarHBondContact O-N 3.34Å; K190-V192 VanDerWaalsContact C-N 3.31Å; K190-V192 WeakPolarHBondContact O-CG2 3.43Å; K190-V192 PolarHBondContact O-N 3.1Å
191E58.2Low56.4Low135 Ų135156.3 Ų156.363%0.63174%0.744SS**  trans-50.4103.3159.2-79.9-164.115900107.5V189 R193V189-E191 VanDerWaalsContact C-N 3.27Å; V189-E191 PolarHBondContact O-N 3.39Å; E191-R193 PolarHBondContact O-N 3.45Å; E191-R193 IonicContact OE1-NH1 3.36Å; E191-R193 PolarHBondContact OE1-NH1 3.31Å; E191-R193 IonicContact OE2-CZ 3.71Å; E191-R193 IonicContact OE2-NH1 2.63Å; E191-R193 PolarHBondContact OE2-NH1 3.27Å
192V49.9Very low54.8Low132 Ų132159.3 Ų159.380%0.877%0.766SS**  trans-76.867.3172.5-171.90000107.5K190 K194K190-V192 VanDerWaalsContact C-N 3.31Å; K190-V192 WeakPolarHBondContact O-CG2 3.43Å; K190-V192 PolarHBondContact O-N 3.1Å; V192-K194 PolarHBondContact O-N 3.3Å
193R55Low53.8Low193 Ų193159.6 Ų159.673%0.72877%0.771SS**  trans-58.493.8165.2-99.3179.6151.296.3-1.5106.7E191 N195E191-R193 PolarHBondContact O-N 3.45Å; E191-R193 IonicContact OE1-NH1 3.36Å; E191-R193 PolarHBondContact OE1-NH1 3.31Å; E191-R193 IonicContact OE2-CZ 3.71Å; E191-R193 IonicContact OE2-NH1 2.63Å; E191-R193 PolarHBondContact OE2-NH1 3.27Å; R193-N195 VanDerWaalsContact C-N 3.28Å; R193-N195 PolarHBondContact O-N 3.22Å
194K57.3Low53.2Low193 Ų193157.7 Ų157.784%0.83977%0.77SS**  trans-56.781.1-170.4-174.8175.5-177.9171.40111.1V192 R196V192-K194 PolarHBondContact O-N 3.3Å; K194-R196 PolarHBondContact O-N 3.29Å
195N50.4Low52.9Low149 Ų149157.5 Ų157.580%0.79777%0.774SS**  trans-67.696.2-173.7-170.3-8.2000109.6R193 R197R193-N195 VanDerWaalsContact C-N 3.28Å; R193-N195 PolarHBondContact O-N 3.22Å; N195-R197 VanDerWaalsContact C-N 3.29Å; N195-R197 PolarHBondContact O-N 3.31Å
196R53.5Low52.8Low222 Ų222160.6 Ų160.684%0.83879%0.788SS**  trans-71.481.6-173.6-175.8-179179175.30.1109.5K194 R198K194-R196 PolarHBondContact O-N 3.29Å; R196-R198 PolarHBondContact O-N 2.89Å
197R52.8Low52.3Low223 Ų223161.4 Ų161.484%0.84280%0.797SS**  trans-45.8107.1170.7-75.1-174.8172.7-175.4-2.1109.4N195 N199N195-R197 VanDerWaalsContact C-N 3.29Å; N195-R197 PolarHBondContact O-N 3.31Å; R197-N199 PolarHBondContact O-N 3.27Å
198R56.8Low51.6Low233 Ų233153.8 Ų153.888%0.87979%0.793SS**PPolyproline II helixtrans-72.2120160.9-74.9-178.6172.5173.9-2.5106R196R196-R198 PolarHBondContact O-N 2.89Å
199N53.7Low51.3Low145 Ų145156.4 Ų156.478%0.77581%0.808SS**PPolyproline II helixtrans-68.7138.2173-73.4-10.3000109.3R197 V201R197-N199 PolarHBondContact O-N 3.27Å; N199-V201 PolarHBondContact O-N 3.47Å
200N45.1Very low50.1Low161 Ų161153.8 Ų153.886%0.86180%0.8SS**PPolyproline II helixtrans-65.2131.5171.8-67.7-21000109.7
201V54.6Low49.6Very low134 Ų134152.2 Ų152.281%0.81280%0.799SS**PPolyproline II helixtrans-98.7125.6159.4176.30000106.4N199N199-V201 PolarHBondContact O-N 3.47Å
202A44.7Very low49Very low96 Ų96154.3 Ų154.379%0.79381%0.809SS**  trans-123.994.6-174.500000110.8
203T45.4Very low48.6Very low107 Ų107151.6 Ų151.666%0.65680%0.8SS**  trans-164.1137.3173330000105.5
204D47.1Very low48.2Very low151 Ų151149.1 Ų149.181%0.80780%0.802SS**  cis-139.116713.5-86.1-53.7000113.7
205N45.3Very low47.6Very low164 Ų164146.9 Ų146.988%0.87780%0.797SS**  trans-87.1134.3171-69.3-39.8000111.7
206S55.6Low47.4Very low118 Ų118145.1 Ų145.183%0.82579%0.792SS**  trans-150.3127.6153.861.70000111.9
207N44.5Very low46.9Very low173 Ų173143.1 Ų143.193%0.92579%0.789SS**  trans-72.8151.1-178.6-47.7-61.8000112
208G39.9Very low46.5Very low81 Ų81137.3 Ų137.384%0.83578%0.783SS**  trans-169.776-179.900000116.1
209L45Very low45.9Very low174 Ų174130.3 Ų130.391%0.91177%0.77SS**  trans-33.3135.7174.4-78144.1000119.3
210A42.3Very low45.6Very low76 Ų76131.7 Ų131.763%0.62877%0.771SS**  81.2123.4127.800000123.3
211N44.7Very low45.5Very low136 Ų136129.8 Ų129.873%0.72777%0.766SS**  trans73.9119132.5-64.5-7.6000122.7
212Q44.9Very low45.1Very low180 Ų180126.2 Ų126.284%0.84176%0.756SS**  trans66.6149.4140.1-61.9179.223.500118.9
213A42.9Very low45.1Very low74 Ų74128.7 Ų128.761%0.61276%0.756SS**  cis-167.8165-23.400000109.5
214N45.7Very low45.4Very low141 Ų141132 Ų13275%0.75476%0.764SS**  trans68.3134.8149.4-83.4-9.6000122.3
215I44.7Very low45.5Very low146 Ų146132.5 Ų132.575%0.74976%0.761SS**  trans75.3139.4131.9-70.5171.5000119
216V45.5Very low45.7Very low112 Ų112128.9 Ų128.968%0.67975%0.754SS**  cis-170.8164.9-22.279.30000110.3
217K43Very low45Very low181 Ų181127 Ų12779%0.78775%0.753SS**  trans69.5133168.3-74.4168.2-174.11770116.2
218S44.7Very low44.8Very low100 Ų100125.5 Ų125.570%0.69975%0.75SS**  82.3145.458.2101.20000112.7
219S45.7Very low45.3Very low87 Ų87128.8 Ų128.861%0.60875%0.754SS**  cis-170.8175.27.522.10000111.2
220Q46.4Very low45.1Very low173 Ų173127.3 Ų127.381%0.80875%0.747SS**  trans72.7153.9155.7-81.7-179-85.300119.7
221T43.2Very low45Very low122 Ų122128.4 Ų128.475%0.74875%0.75SS**  cis-167.3167.8-29.214.70000109.2
222G45.3Very low44.8Very low58 Ų58127.8 Ų127.860%0.59876%0.756SS**  trans110.4123.6177.100000112.2
223D46.2Very low45Very low149 Ų149127.1 Ų127.180%0.79776%0.758SS**  cis69.913730.8-38.1-44.5000111.9
224E50.2Low45.2Very low177 Ų177129.1 Ų129.183%0.82776%0.764SS**  cis-166.4162.4-4.4-113.6-175.3151.800106.5
225E49.8Very low45.3Very low161 Ų161130.1 Ų130.175%0.75277%0.769SS**  cis-163.6169-15.3-140.4-60.985.300108.1
226A48.5Very low45.6Very low88 Ų88132 Ų13273%0.72777%0.771SS**  trans71.1148.7163.400000119.5
227G41.8Very low45.8Very low77 Ų77133.1 Ų133.179%0.79477%0.774SS**  trans157.448.7172.800000119.4V229G227-V229 PolarHBondContact O-N 3.12Å
228T40.6Very low46.1Very low142 Ų142130.9 Ų130.987%0.87177%0.768SS**  trans-71120.1177.6-510000113.5
229V49.9Very low46.5Very low150 Ų150132 Ų13291%0.90977%0.773SS**  trans-158.3169.4148.7-109.20000112.7G227G227-V229 PolarHBondContact O-N 3.12Å
230D41.3Very low46.6Very low143 Ų143132.7 Ų132.777%0.76577%0.774SS**  trans-103.8154.5-157.6-139.6-44.3000115.2
231S39.6Very low46.6Very low100 Ų100132.3 Ų132.370%0.69978%0.777SS**  trans48.6146.9146.9-73.40000124.5
232S41Very low46.6Very low123 Ų123129.9 Ų129.986%0.8678%0.777SS**  trans104.3151.8153.880.10000120.4
233L48.1Very low46.8Very low165 Ų165134 Ų13486%0.86478%0.783SS**  trans-89175.3-176.3-67.3165.7000109.9
234P47.6Very low46.8Very low116 Ų116134.1 Ų134.175%0.75378%0.779SS**  cis-153.116825.744.5-23000121.1
235L47.5Very low46.7Very low163 Ų163132.6 Ų132.685%0.85377%0.772SS**  trans32.8110.3135.8-162.378.1000122.2
236K51.9Low46.4Very low184 Ų184135.7 Ų135.780%0.878%0.777SS**  trans-170.7153.6158.8-127.158.9-162.1177.60109.9
237D49.3Very low46Very low136 Ų136135.5 Ų135.573%0.72778%0.783SS**  cis-149.8-168.8-12.1-143-34.5000111.2
238M48.8Very low46Very low134 Ų134135.9 Ų135.966%0.6679%0.787SS**  trans-104.3-179.1177.5-129.5-177.968.500112.5T240M238-T240 HydrophobicContact CE-CG2 3.97Å
239P53.8Low46.2Very low125 Ų125134.5 Ų134.581%0.81279%0.79SS**  cis-145.4-177.948.741-18.7000118.3
240T47.6Very low45.8Very low101 Ų101131.2 Ų131.262%0.6279%0.787SS**  trans-104.9156.6-176.846.50000114.8M238M238-T240 HydrophobicContact CE-CG2 3.97Å
241N45.8Very low45.9Very low164 Ų164127.7 Ų127.788%0.87778%0.784SS**  trans-169127.5143.3-88.6-40.7000107.4
242G43.1Very low46.2Very low72 Ų72135.1 Ų135.174%0.74280%0.797SS**  98.7153.779.200000110.5
243I49.5Very low46.2Very low143 Ų143132.3 Ų132.373%0.73379%0.787SS**  cis-165.9143-11.2-132.6166000108.7
244Q46.8Very low46.2Very low153 Ų153137 Ų13772%0.71579%0.793SS**  trans63.7168.1161.9-66.217730.200117.9
245Q48.5Very low46Very low144 Ų144134.4 Ų134.467%0.67379%0.788SS**  cis-149.6-178.5-4.4-133.3-176.792.300112.4
246R44.2Very low46.1Very low226 Ų226139 Ų13985%0.85379%0.794SS**  trans-26.4151.1168-58.9159.8-179.2-128.6-2.1116.1
247G39Very low45.6Very low84 Ų84133.2 Ų133.287%0.86679%0.787SS**  cis118.3125.715.900000111.2
248G42.3Very low45.5Very low85 Ų85138.8 Ų138.888%0.87680%0.798SS**  trans-175152.6-177.900000113.9
249A45.5Very low45.2Very low114 Ų114136 Ų13694%0.94280%0.803SS**  trans-145.4150-173.600000113.3
250G41.2Very low44.8Very low81 Ų81141.7 Ų141.784%0.83581%0.808SS**  trans121163164.400000116.3
251G42.9Very low44.4Very low68 Ų68142.3 Ų142.370%0.70182%0.817SS**  trans97.4103.9-175.900000111.7
252R45.2Very low44.5Very low256 Ų256141.7 Ų141.797%0.96681%0.813SS**  47.3113.260.2-49.7-179.1-179.7-170.91.3110.6
253G41.5Very low44.5Very low64 Ų64143.8 Ų143.866%0.6682%0.816SS**  cis143.1-174.49.500000109.5
254R48.4Very low44.1Very low264 Ų264139.6 Ų139.6100%0.99681%0.808SS**  trans72.7145.1-171-44.5164.7179.3-176.3-0.6112.2
255G44.2Very low44Very low62 Ų62143 Ų14364%0.63982%0.82SS**  cis145.1155-7.500000112.8
256R47.7Very low43.7Very low258 Ų258139.2 Ų139.297%0.97482%0.821SS**  trans74.8139.3-171.8-48.3169.5178.1-170.3-2112.8
257G42.6Very low43.8Very low63 Ų63141 Ų14165%0.64983%0.827SS**  cis122.7144.9-4.900000113.1
258R46.4Very low44Very low254 Ų254140.6 Ų140.696%0.95882%0.824SS**  trans73.4124.9-159.8-49.8168.8178.2-174.5-2.2111.2
259G42.6Very low44.1Very low75 Ų75142.1 Ų142.177%0.77382%0.82SS**  cis97.9106.8-6.500000114.4
260R45.5Very low44.1Very low244 Ų244141.7 Ų141.792%0.92181%0.811SS**  trans-161.8135.1157.9-111.9177.2-175.3-159.2-1.1109.9
261S39.9Very low44.3Very low115 Ų115146 Ų14680%0.80481%0.809SS**  trans-122.2119.6175.651.40000109.9
262L47.5Very low44.5Very low150 Ų150154.1 Ų154.179%0.78582%0.819SS**  trans-142.1134.9158.9-76.8103.7000106.1
263S42.6Very low44.4Very low117 Ų117145.8 Ų145.882%0.81880%0.8SS**  cis80.898.237.4-174.80000114
264G42.2Very low44.6Very low54 Ų54151 Ų15156%0.55781%0.807SS**  trans135.1132.7149.900000116.9
265F44.3Very low44.4Very low224 Ų224142.6 Ų142.698%0.98279%0.789SS**  trans66.1143.1157.7-46.4-81.2000117.7
266G42.6Very low44.7Very low66 Ų66146 Ų14668%0.6880%0.797SS**  cis-155.5148-600000110.5
267R45.6Very low44.8Very low263 Ų263140 Ų14099%0.99279%0.785SS**  66.212099.2-88.8-172.5170.4-114.70.7116.1
268G44.4Very low44.8Very low76 Ų76148.8 Ų148.878%0.78480%0.798SS**  trans127.699176.300000111.4
269S43.4Very low44.7Very low116 Ų116147.9 Ų147.981%0.81180%0.795SS**  cis108.1148.218.4-158.40000112.6
270S44.5Very low44.8Very low106 Ų106150.1 Ų150.174%0.74180%0.799SS**  trans74.1109.1-166.2-1470000112.8
271E47.4Very low45Very low171 Ų171142.8 Ų142.880%0.79979%0.79SS**  cis82.4103.533.6-55.3178.9176.500115.6
272R45.5Very low45.2Very low238 Ų238147.7 Ų147.790%0.89879%0.791SS**  -178.9119.4124.1-100.2-178.8161.1158.7-3.2108.9
273S43.9Very low45.2Very low81 Ų81148.6 Ų148.657%0.56679%0.791SS**  76.6108.885.6-680000111.8
274E46.5Very low45.4Very low173 Ų173154.6 Ų154.681%0.80880%0.796SS**  83.9145.574.7-78.5165.4119.600112.4
275S43.6Very low45.5Very low89 Ų89156 Ų15662%0.62280%0.802SS**  cis-166.1-176-5.252.20000110.8
276T50.3Low45.8Very low133 Ų133152.1 Ų152.182%0.81680%0.797SS**  trans72155174.280.40000114.9
277N49Very low45.8Very low133 Ų133153.7 Ų153.771%0.71180%0.798SS**  cis-137131.58.8-168.4-1.3000111.4
278R42.7Very low45.8Very low247 Ų247152.2 Ų152.293%0.93279%0.792SS**  trans-127.9115.4171.2-86.4-171175.3-172.5-0.5109.2
279R45.2Very low46Very low234 Ų234155 Ų15588%0.88379%0.794SS**  trans-149162.7168-89-171.6174.1175-0.9110.5
280S43.7Very low46.2Very low123 Ų123155.1 Ų155.186%0.8680%0.795SS**  trans73.9127.8-175.2-157.70000114.3
281A49.4Very low46.1Very low89 Ų89153.9 Ų153.974%0.73680%0.798SS**  cis-161.6175.3-14.800000111.7
282R45.2Very low45.8Very low219 Ų219149.1 Ų149.183%0.82680%0.795SS**  trans83.374.8149-145.5173.8-152.11736.4120.2
283E47.8Very low45.8Very low169 Ų169148.1 Ų148.179%0.7979%0.791SS**  30.8119.1117.2-55.3171.712100120
284R46.3Very low46.1Very low242 Ų242154.2 Ų154.291%0.91380%0.802SS**  -153145.9112.5-111.3-179.8-173.987.5-3.6110.5
285A45.2Very low46.4Very low83 Ų83157.9 Ų157.969%0.68681%0.808SS**  trans-116.5-174.3-176.500000111.5
286T49.6Very low46.7Very low144 Ų144159.6 Ų159.688%0.88382%0.817SS**  trans75.6149176.777.20000115.7
287S43.7Very low46.7Very low99 Ų99157.9 Ų157.969%0.69282%0.817SS**  cis-167.9168.6-25.6-176.90000109.2
288R45.2Very low46.6Very low231 Ų231159.4 Ų159.487%0.87283%0.825SS**  trans76.1145.9170.2-51.4174.8-177.9165.61116
289V47.7Very low46.7Very low136 Ų136151.5 Ų151.582%0.82482%0.82SS**  cis152135.1-31153.90000108.7
290S47Very low46.9Very low118 Ų118152.3 Ų152.383%0.82582%0.823SS**  trans81.7128.3161.5-1590000120.4
291G42.9Very low47Very low79 Ų79149.9 Ų149.981%0.81482%0.817SS**  trans84.7134.1149.700000117.8
292G42Very low46.9Very low72 Ų72156 Ų15674%0.74282%0.822SS**  cis147.5152.4-14.400000114.9
293R45.5Very low47.1Very low216 Ų216154.9 Ų154.982%0.81582%0.817SS**  trans84.5115.4165.2-61-174.7171.8-159.2-1.5120.3
294R49.3Very low47Very low209 Ų209156.5 Ų156.579%0.78982%0.822SS**  78.286.7128.2-64.9176.2-179.6-156.5-2.8121.1
295R52.6Low46.9Very low250 Ų250148.6 Ų148.694%0.94382%0.816SS**  51.7155.1110.9-84.4-168.5175.4174.7-0.2122.1
296P49.5Very low46.9Very low125 Ų125148.1 Ų148.181%0.81282%0.82SS**  trans-101.9178.8-162.442.3-38.2000115.3
297A50.5Low46.6Very low97 Ų97151.6 Ų151.680%0.80282%0.816SS**  trans-144.7157.6163.300000111.3
298D48.4Very low46.6Very low166 Ų166157 Ų15789%0.88882%0.822SS**  trans-80.2156.1-171.9-62.7-97.6000115.6
299G44.9Very low46.8Very low80 Ų80152.1 Ų152.183%0.82582%0.817SS**  trans-156.393.1173.200000113.7
300R48.8Very low46.7Very low251 Ų251152 Ų15295%0.94782%0.818SS**  trans-91117.8177.7-67.3179179176.70.2112
301G46Very low46.6Very low72 Ų72156.1 Ų156.174%0.74282%0.821SS**  trans-173.285.8167.800000111.9
302R47.8Very low46.6Very low218 Ų218161.3 Ų161.382%0.82382%0.823SS**  60.198.580-77.2-161.6171.6-155.3-0.5116.6
303R48.1Very low46.6Very low196 Ų196163.6 Ų163.674%0.7483%0.828SS**  trans89.6145.5141.7-61.1178.6167.3-170.3-5.2119.2
304F45.7Very low46.5Very low202 Ų202165.5 Ų165.589%0.88684%0.836SS**  trans64.9139.5176.6-51.4-78.8000115.2
305G45.4Very low46Very low76 Ų76158.9 Ų158.978%0.78483%0.832SS**  cis177.4147.3-8.500000112.2
306G44.4Very low45.6Very low74 Ų74158.1 Ų158.176%0.76383%0.83SS**  trans92.3116.3-175.600000111.9
307R43.7Very low45.3Very low217 Ų217159.3 Ų159.382%0.81983%0.829SS**  cis88.1108.346.6-78.6-164.7167.7-155.8-0.9114.2
308R44.1Very low45.1Very low212 Ų212163.6 Ų163.680%0.883%0.832SS**  trans71.9137.6150.9-60.9179.8171.8-173.1-5.7116.8
309T49.2Very low45Very low128 Ų128165 Ų16579%0.78583%0.834SS**  cis-156.2133.6-14.85.90000108.5
310T45.6Very low45.3Very low135 Ų135170.5 Ų170.583%0.82884%0.835SS**  trans-84.1146.9170.436.70000111.6H312T310-H312 PolarHBondContact O-N 3.32Å
311F43.8Very low45.4Very low204 Ų204166.9 Ų166.990%0.89583%0.826SS**  trans-57.7123.7171-83.1-115.9000110.7
312H43.5Very low46.2Very low187 Ų187168.6 Ų168.687%0.86682%0.819SS**  trans-165.982.8162.9-11073.7000112.2T310T310-H312 PolarHBondContact O-N 3.32Å
313S42.7Very low46.8Very low121 Ų121162.3 Ų162.385%0.84681%0.813SS**  trans-148.8124.8163.4-67.30000105.9
314R43.5Very low47.4Very low256 Ų256163 Ų16397%0.96682%0.816SS**  cis60.295.633.3-81.2-168.5174-172.4-1.1114.6
315G39.1Very low48Very low70 Ų70159.6 Ų159.672%0.72280%0.803SS**  trans147.5133.2152.900000115.5
316R42.1Very low48.5Very low234 Ų234157.5 Ų157.588%0.88378%0.778SS**  trans73.8122172.6-54.8-176.5-176.6-158.2-1.1114.2
317N43.8Very low49.2Very low149 Ų149164.4 Ų164.480%0.79778%0.781SS**  cis77.8100.149.5-62.125.2000112.3
318E46.7Very low49.6Very low188 Ų188161 Ų16188%0.87978%0.776SS**  -173.7103.5119.3-102.8172.3-141.400110.2K320E318-K320 PolarHBondContact O-N 3Å
319E47.2Very low50.1Low195 Ų195155.2 Ų155.291%0.91177%0.768SS**  trans-87108.4-179.3-68.4176.4132.400111.2
320K50.4Low50.5Low196 Ų196156.1 Ų156.185%0.85277%0.767SS**  trans-130.166.3159.4-73.8-176.3-178.4170.50109.3E318E318-K320 PolarHBondContact O-N 3Å
321F50.6Low50.9Low174 Ų174157.2 Ų157.276%0.76377%0.768SS**  trans-83.3121.2-178.9-164-110.4000110.4A323 A326F321-A323 PolarHBondContact O-N 3.33Å; F321-A326 HydrophobicContact CE1-CB 3.94Å
322N62.4Low51.1Low109 Ų109158.4 Ų158.458%0.58377%0.767SS**  trans-76.3110.1-176.1-78.6-29.8000111.3W324 E325N322-W324 PolarHBondContact O-N 3.36Å; N322-E325 HydrophobicContact CB-CB 4.4Å; N322-E325 PolarHBondContact O-N 2.98Å; N322-E325 VanDerWaalsContact O-N 3.16Å
323A61.8Low51Low86 Ų86153.1 Ų153.171%0.71176%0.763SS**Hα-helixtrans-61.4-17.8-178.700000114.7F321F321-A323 PolarHBondContact O-N 3.33Å
324W60.1Low51.6Low210 Ų210152.9 Ų152.980%0.79576%0.761SS**Hα-helixtrans-71.8-45175.3-171.658.9000112.2N322 A326 R327N322-W324 PolarHBondContact O-N 3.36Å; W324-A326 VanDerWaalsContact C-N 3.35Å; W324-A326 PolarHBondContact O-N 3.34Å; W324-R327 PolarHBondContact O-N 2.81Å; W324-R327 VanDerWaalsContact O-N 3.1Å
325E57.4Low52Low131 Ų131148.9 Ų148.961%0.61276%0.759SS**Hα-helixtrans-67.5-36.1-177.6-166.1169.8-163.300111.7N322 R327 M328 S329N322-E325 HydrophobicContact CB-CB 4.4Å; N322-E325 PolarHBondContact O-N 2.98Å; N322-E325 VanDerWaalsContact O-N 3.16Å; E325-R327 VanDerWaalsContact C-N 3.25Å; E325-R327 PolarHBondContact O-N 3.01Å; E325-M328 PolarHBondContact O-N 3.31Å; E325-S329 PolarHBondContact O-N 3.04Å
326A57.4Low52.5Low31 Ų31149.1 Ų149.126%0.25676%0.761SS.*Hα-helixtrans-59.8-32.8172.200000113.3F321 W324 S329F321-A326 HydrophobicContact CE1-CB 3.94Å; W324-A326 VanDerWaalsContact C-N 3.35Å; W324-A326 PolarHBondContact O-N 3.34Å; A326-S329 PolarHBondContact O-N 2.84Å
327R57.8Low52.7Low220 Ų220148 Ų14883%0.8377%0.766SS**Hα-helixtrans-77.5-27.5-176.1-155.8175.5-174.2-164.8-0.6112.7W324 E325W324-R327 PolarHBondContact O-N 2.81Å; W324-R327 VanDerWaalsContact O-N 3.1Å; E325-R327 VanDerWaalsContact C-N 3.25Å; E325-R327 PolarHBondContact O-N 3.01Å
328M52.7Low52.6Low145 Ų145144 Ų14471%0.71476%0.761SS**Hα-helixtrans-73.9-28.5171.4-71.6-67.6-171.600112.9E325E325-M328 PolarHBondContact O-N 3.31Å
329S55.2Low52.4Low91 Ų91143.5 Ų143.564%0.63676%0.758SS**Hα-helixtrans-80-25-171.4-1640000114.4E325 A326 N331E325-S329 PolarHBondContact O-N 3.04Å; A326-S329 PolarHBondContact O-N 2.84Å; S329-N331 PolarHBondContact O-N 3.49Å
330L57.1Low52.3Low146 Ų146138.4 Ų138.476%0.76475%0.749SS**THydrogen-bonded Turntrans-84.9-5.7-167.6-87.4161.6000116.5
331N53.6Low52.1Low159 Ų159137 Ų13785%0.8575%0.75SS**THydrogen-bonded Turntrans-97.211.4-179.9-103.910.5000115S329S329-N331 PolarHBondContact O-N 3.49Å
332R47.8Very low52.3Low229 Ų229134.8 Ų134.886%0.86475%0.745SS**  trans-111.683.3172.9-69-169.9-179.5-146.90.6110.9
333G42.2Very low51.8Low76 Ų76141.3 Ų141.378%0.78476%0.762SS**  trans-15125.4-166.600000117.6
334S54.1Low51.2Low116 Ų116148 Ų14881%0.81177%0.769SS**SBendtrans-148.9148.8165.9-164.80000111.5G336S334-G336 PolarHBondContact O-N 2.92Å
335N52.6Low50.3Low172 Ų172142.9 Ų142.992%0.9277%0.765SS**  trans-89.1106.3-166.4-64.6-39.9000112.4
336G49.2Very low49.7Very low74 Ų74141.4 Ų141.476%0.76378%0.775SS**  trans-115.4129.6160.500000109.3S334S334-G336 PolarHBondContact O-N 2.92Å
337Q45.8Very low49.3Very low210 Ų210147.2 Ų147.298%0.98180%0.802SS**  trans-107.2100.1-162.7-174.3170.3-20.500112.4
338G42.1Very low48.8Very low67 Ų67144.1 Ų144.169%0.69180%0.802SS**  trans169.3147.6169.700000115.7
339H43.8Very low48.5Very low177 Ų177143 Ų14382%0.81980%0.803SS**  trans60.571.1153.2-142.7-63.6000119.2
340A45Very low48.3Very low87 Ų87151.1 Ų151.172%0.71982%0.82SS**  trans-14461.2179.100000115.9
341D44.9Very low48Very low166 Ų166151.2 Ų151.289%0.88882%0.822SS**  trans-133.231.6178.6-84.4-50.9000114.7
342I56.4Low47.6Very low129 Ų129151 Ų15166%0.66282%0.821SS**SBendtrans-117.7-26.8-178.3-63.4177.1000113.6
343W52.1Low47.7Very low245 Ų245145.4 Ų145.493%0.92882%0.817SS**SBendtrans-112.444-166.7-74.982.3000114.6
344R48.2Very low48.1Very low226 Ų226151 Ų15185%0.85382%0.824SS**SBendtrans-134.88.3-177.2-79.7-167.1177.7-85.76.2117.8
345S41.2Very low47.8Very low104 Ų104150.3 Ų150.373%0.72783%0.826SS**  trans-13024.6-177.8-65.40000115.8N347S345-N347 PolarHBondContact O-N 3.28Å
346A45.6Very low47.7Very low99 Ų99151.2 Ų151.282%0.81883%0.825SS**THydrogen-bonded Turntrans-71.24.5-172.800000116.8
347N48.4Very low47.5Very low154 Ų154151.3 Ų151.382%0.82483%0.825SS**THydrogen-bonded Turntrans-115.8-4.5-168.5-95.362.7000116.4S345S345-N347 PolarHBondContact O-N 3.28Å
348N47.4Very low47.7Very low155 Ų155148.6 Ų148.683%0.82982%0.823SS**SBendtrans-135.350.8-172.6-80-5.5000113.4
349T45.3Very low47.9Very low121 Ų121150.2 Ų150.274%0.74282%0.824SS**  trans-150.580.517324.40000111.3
350W51.1Low47.9Very low261 Ų261150.1 Ų150.199%0.98983%0.828SS**  trans-139.436.5171.9-120.150.4000110.2
351D51Low48Very low148 Ų148149.8 Ų149.879%0.79183%0.833SS**  trans-115.3137.4-175.6-153.6-14.6000110.5S353D351-S353 PolarHBondContact O-N 3.45Å
352N46.6Very low47.9Very low156 Ų156146.5 Ų146.583%0.83483%0.829SS**  trans-87.564.3-155-71.8-50.4000113.3
353S49.9Very low47.9Very low111 Ų111146.3 Ų146.378%0.77684%0.837SS**  trans-125.632.1-166.9-137.90000116.2D351D351-S353 PolarHBondContact O-N 3.45Å
354M50.4Low47.6Very low192 Ų192138.8 Ų138.895%0.94683%0.827SS**  trans-12615.8168.3-80.7-165.2162.700114.3E356M354-E356 PolarHBondContact O-N 2.95Å
355A46.1Very low47.6Very low102 Ų102137.4 Ų137.484%0.84383%0.83SS**SBendtrans-85.734.8176.800000113.6
356E50.4Low47.9Very low192 Ų192137.2 Ų137.290%0.89784%0.835SS**SBendtrans-156.3127.1174.8-125.8171.2-143.700113.6M354M354-E356 PolarHBondContact O-N 2.95Å
357G45.4Very low47.9Very low75 Ų75137.4 Ų137.477%0.77384%0.836SS**  trans83.671.3144.900000121.5
358V51.4Low47.9Very low154 Ų154134.3 Ų134.393%0.93383%0.832SS**  trans-133137.1136.2-178.60000108.1
359S46.3Very low48.1Very low101 Ų101134.9 Ų134.971%0.70684%0.835SS**  trans-137.4147.7-166.1-150.20000113.8
360L43.7Very low48Very low174 Ų174137.1 Ų137.191%0.91184%0.842SS**  trans66.4133162.3-63.7164.6000119.1
361G45.3Very low48.1Very low80 Ų80132.3 Ų132.383%0.82583%0.831SS**  trans16648.7174.400000114.4
362A42.9Very low47.9Very low98 Ų98133.4 Ų133.481%0.8183%0.828SS**  trans-130.8135.5-171.400000114.1
363P57.8Low48.1Very low125 Ų125134.4 Ų134.481%0.81283%0.833SS**  trans-106.3152.6142.735.2-24.8000109.2
364A45.5Very low48.1Very low87 Ų87135.4 Ų135.472%0.71983%0.83SS**  cis157.6152.7-500000104.3
365E48.1Very low48.3Very low197 Ų197134 Ų13492%0.92183%0.825SS**  trans67.381.4168.3-55.3-170.5170.100119.7
366A47.3Very low48.8Very low100 Ų100139.8 Ų139.883%0.82683%0.825SS**  trans178.383.7140.300000110.1
367A46.2Very low49.1Very low103 Ų103135.3 Ų135.385%0.85181%0.811SS**  78.888.385.500000115.7
368A47.9Very low49.5Very low88 Ų88141.7 Ų141.773%0.72781%0.813SS**  trans57.1106150.900000121
369N52.1Low49.9Very low167 Ų167140.8 Ų140.889%0.89380%0.803SS**  -179.8104.5106.5-89.6-40.2000111.2
370D42.7Very low50.5Low169 Ų169141.9 Ų141.990%0.90480%0.801SS**  trans-104.4121.2171.4-86-55.3000110.9
371E52.6Low51.2Low159 Ų159143.5 Ų143.574%0.74380%0.795SS**  trans-162.9136.4149.8-124.4-171.9-12400110.9
372K48.6Very low52Low171 Ų171144.7 Ų144.774%0.74379%0.787SS**  trans65.471.5168.4-58.9167.2-173.3139.90117.4
373L48.8Very low52.8Low177 Ų177148.3 Ų148.393%0.92779%0.787SS**  trans-101108.4146.2-94.4163.9000109.1L375L373-L375 PolarHBondContact O-N 2.9Å
374N50.5Low53.1Low133 Ų133148 Ų14871%0.71178%0.782SS**PPolyproline II helixtrans-73.7120.9175.8-80.84.4000110.2W376N374-W376 PolarHBondContact O-N 3.45Å
375L55Low53.8Low163 Ų163149.4 Ų149.485%0.85377%0.774SS**PPolyproline II helixtrans-62.1123.7159.9-117.865.9000108.8L373L373-L375 PolarHBondContact O-N 2.9Å
376W56.7Low54.6Low222 Ų222146.8 Ų146.884%0.84176%0.762SS**PPolyproline II helixtrans-95.5117.6161.7-79.160.2000107.4N374N374-W376 PolarHBondContact O-N 3.45Å
377T57.1Low55.5Low98 Ų98148.6 Ų148.660%0.60175%0.753SS**PPolyproline II helixtrans-77.1156177.136.90000111.3D379T377-D379 PolarHBondContact O-N 3.34Å
378Y52.9Low56.7Low209 Ų209151.3 Ų151.382%0.8275%0.748SS**THydrogen-bonded Turntrans-78.6-1-163.8-150.9-96.1000114.7
379D60.3Low57.9Low136 Ų136157.6 Ų157.673%0.72775%0.753SS**THydrogen-bonded Turntrans-97.4-5.6-161.4-61.7-57.7000116T377 W381T377-D379 PolarHBondContact O-N 3.34Å; D379-W381 VanDerWaalsContact C-N 3.26Å; D379-W381 PolarHBondContact O-N 2.95Å
380D58.1Low59.1Low124 Ų124156.3 Ų156.366%0.66375%0.746SS**  trans-78.30.3-175.4-80.3-26.7000114.8T382D380-T382 PolarHBondContact O-N 2.95Å
381W58.4Low60.5Low208 Ų208155.5 Ų155.579%0.78874%0.736SS**  trans-77.268.4174.6-69.497.1000112.1D379 E385D379-W381 VanDerWaalsContact C-N 3.26Å; D379-W381 PolarHBondContact O-N 2.95Å; W381-E385 WeakPolarHBondContact CZ3-OE2 3.46Å
382T62.1Low61.1Low104 Ų104149.9 Ų149.964%0.63872%0.721SS**  trans-69.5150.8178.160.90000112.8D380 V384D380-T382 PolarHBondContact O-N 2.95Å; T382-V384 PolarHBondContact O-N 3.25Å
383E60.3Low61.9Low174 Ų174148.3 Ų148.381%0.81373%0.728SS**THydrogen-bonded Turntrans-57.2-14.3-160.9-64.8169.6113.300117E385 Q386E383-E385 PolarHBondContact O-N 2.93Å; E383-Q386 PolarHBondContact O-N 3.35Å; E383-Q386 VanDerWaalsContact O-N 3.13Å
384V63.9Low62.7Low119 Ų119149.6 Ų149.672%0.72173%0.726SS**Hα-helixtrans-61.5-40.1-169.1-176.10000113.2T382 Q386T382-V384 PolarHBondContact O-N 3.25Å; V384-Q386 VanDerWaalsContact C-N 3.3Å; V384-Q386 PolarHBondContact O-N 3.04Å
385E60.4Low63.5Low116 Ų116151.3 Ų151.354%0.54273%0.73SS.*Hα-helixtrans-71.9-24.9179.6-65.3-167.5164.300112.7W381 E383 E387 E388 W389W381-E385 WeakPolarHBondContact CZ3-OE2 3.46Å; E383-E385 PolarHBondContact O-N 2.93Å; E385-E387 PolarHBondContact O-N 2.7Å; E385-E388 PolarHBondContact O-N 3.32Å; E385-W389 PolarHBondContact O-N 2.98Å
386Q64.7Low63.1Low142 Ų142153.3 Ų153.366%0.66473%0.732SS**Hα-helixtrans-71.9-30.9-175.7-169.3166.289.200112.3E383 V384 L390E383-Q386 PolarHBondContact O-N 3.35Å; E383-Q386 VanDerWaalsContact O-N 3.13Å; V384-Q386 VanDerWaalsContact C-N 3.3Å; V384-Q386 PolarHBondContact O-N 3.04Å; Q386-L390 HydrophobicContact CG-CD1 4.15Å; Q386-L390 VanDerWaalsContact O-CD1 3.29Å; Q386-L390 WeakPolarHBondContact O-CD1 3.24Å; Q386-L390 PolarHBondContact O-N 3.37Å
387E67.4Low62.7Low139 Ų139148.2 Ų148.265%0.6573%0.726SS**Hα-helixtrans-74.4-33.7177.4-162.1166.8-127.200112.1E385 L390 H391E385-E387 PolarHBondContact O-N 2.7Å; E387-L390 PolarHBondContact O-N 2.98Å; E387-H391 PolarHBondContact O-CD2 3.25Å; E387-H391 VanDerWaalsContact O-CD2 3.27Å; E387-H391 PolarHBondContact O-N 3.28Å
388E70.3Confident62.4Low159 Ų159147.8 Ų147.874%0.74373%0.733SS**Hα-helixtrans-68.9-41.1176-169.4161.7-14000111.9E385 L390 H391 G392E385-E388 PolarHBondContact O-N 3.32Å; E388-L390 VanDerWaalsContact C-N 3.3Å; E388-L390 PolarHBondContact O-N 3.13Å; E388-H391 PolarHBondContact O-N 2.94Å; E388-G392 PolarHBondContact O-N 3.05Å
389W73.2Confident62.2Low220 Ų220143.7 Ų143.783%0.83373%0.734SS**Hα-helixtrans-63.8-30.4173-86.391.4000113.7E385E385-W389 PolarHBondContact O-N 2.98Å
390L76.2Confident61.5Low140 Ų140148.3 Ų148.373%0.73374%0.741SS**Hα-helixtrans-76.7-20.7178.2-105.2107.7000114.1Q386 E387 E388Q386-L390 HydrophobicContact CG-CD1 4.15Å; Q386-L390 VanDerWaalsContact O-CD1 3.29Å; Q386-L390 WeakPolarHBondContact O-CD1 3.24Å; Q386-L390 PolarHBondContact O-N 3.37Å; E387-L390 PolarHBondContact O-N 2.98Å; E388-L390 VanDerWaalsContact C-N 3.3Å; E388-L390 PolarHBondContact O-N 3.13Å
391H73.1Confident60.9Low152 Ų152146.2 Ų146.270%0.70475%0.75SS**Hα-helixtrans-93.3-22.9-178.1-78.6-48.7000114.8E387 E388E387-H391 PolarHBondContact O-CD2 3.25Å; E387-H391 VanDerWaalsContact O-CD2 3.27Å; E387-H391 PolarHBondContact O-N 3.28Å; E388-H391 PolarHBondContact O-N 2.94Å
392G64.6Low60.3Low41 Ų41142 Ų14242%0.42375%0.746SS.*  trans69178.7173.500000115.2E388 K394E388-G392 PolarHBondContact O-N 3.05Å; G392-K394 PolarHBondContact O-N 3.4Å
393P66.7Low59.5Low138 Ų138145.9 Ų145.990%0.89676%0.757SS**SBendtrans-65.7108.7-174.3-22.634.8000112.5E395P393-E395 PolarHBondContact O-N 2.62Å
394K64Low58.6Low204 Ų204145.6 Ų145.689%0.88775%0.753SS**  trans-61.2125.9-179.5-163.6170.4-171.6168.90111.1G392 F396G392-K394 PolarHBondContact O-N 3.4Å; K394-F396 PolarHBondContact O-N 3.29Å
395E67.2Low57.7Low170 Ų170148.4 Ų148.479%0.79476%0.758SS**  trans-53.3119.8-165.7-62.9-177.1164.200114.3P393 T397P393-E395 PolarHBondContact O-N 2.62Å; E395-T397 PolarHBondContact O-N 3.48Å
396F47.9Very low56.8Low204 Ų204148.2 Ų148.290%0.89577%0.769SS**  trans-78.781.7-179.8-152.8-83.1000111K394 A398K394-F396 PolarHBondContact O-N 3.29Å; F396-A398 PolarHBondContact O-N 2.96Å
397T48.8Very low55.8Low115 Ų115148.5 Ų148.571%0.70678%0.781SS**  trans-68.8101.317936.20000111.5E395 S399E395-T397 PolarHBondContact O-N 3.48Å; T397-S399 PolarHBondContact O-N 3.45Å
398A50.2Low54.6Low90 Ų90148.2 Ų148.274%0.74479%0.788SS**  trans-66.899.2177.300000111.5F396 R400F396-A398 PolarHBondContact O-N 2.96Å; A398-R400 PolarHBondContact O-N 3.37Å
399S48.7Very low53.2Low122 Ų122145.3 Ų145.385%0.85379%0.786SS**  trans-58.4105.8-178.4-68.50000112.9T397 G401T397-S399 PolarHBondContact O-N 3.45Å; S399-G401 PolarHBondContact O-N 3.46Å
400R44.4Very low51.7Low233 Ų233142.1 Ų142.188%0.87979%0.785SS**  trans-77.885.8179.7-166.9178.6-166.9166.84.9110.9A398 V402A398-R400 PolarHBondContact O-N 3.37Å; R400-V402 PolarHBondContact O-N 3.08Å; R400-V402 VanDerWaalsContact O-N 3.13Å
401G47Very low50.3Low81 Ų81142.7 Ų142.784%0.83579%0.789SS**  trans-59111.9177.200000112.4S399S399-G401 PolarHBondContact O-N 3.46Å
402V45.6Very low48.8Very low119 Ų119141 Ų14172%0.72179%0.789SS**  trans-106.1111.2172.2176.70000108R400R400-V402 PolarHBondContact O-N 3.08Å; R400-V402 VanDerWaalsContact O-N 3.13Å
403H45.4Very low47.7Very low185 Ų185147.1 Ų147.186%0.85681%0.806SS**  trans-99.3130.8165-132-65.5000109.6
404K41.9Very low46.4Very low169 Ų169145.1 Ų145.174%0.73580%0.796SS**  trans-126.5-178165.8-91.6-170.7172.1-173.90108.1
405E43.9Very low45.2Very low178 Ų178145 Ų14583%0.83280%0.795SS**  trans69.9104.5177.2-63.1162.9-15200112.4
406S41.7Very low43.8Very low111 Ų111140.8 Ų140.878%0.77679%0.79SS**  cis88.696.240.981.10000114.2
407V44.2Very low43.5Very low148 Ų148139.7 Ų139.790%0.89779%0.787SS**  trans-133.6147.1160.3-178.60000107.4
408T42.1Very low43.1Very low133 Ų133138.4 Ų138.482%0.81679%0.788SS**  trans-97.7161.4-168.648.10000113.8
409S39.6Very low42.8Very low99 Ų99141.3 Ų141.369%0.69280%0.796SS**  trans-65.1151.4166.1-49.40000112.6
410D41.7Very low42.4Very low153 Ų153144 Ų14482%0.81880%0.795SS**  173.7-170.4111.8-83.2-17.2000111.4
411D46.8Very low42.3Very low151 Ų151138.8 Ų138.881%0.80779%0.791SS**  trans75.662.1170.8-67.2-10.8000121.8
412V42.9Very low42Very low116 Ų116140.9 Ų140.970%0.70379%0.793SS**  51.5118.4100-174.80000121.5
413H40.8Very low41.7Very low171 Ų171144.3 Ų144.379%0.79280%0.798SS**  trans76124.2147.3-74.9-35.8000125.2
414S38.8Very low41.5Very low96 Ų96143.4 Ų143.467%0.67180%0.798SS**  69.5118.7129.3-60.40000122.1
415F39.2Very low41.5Very low201 Ų201142 Ų14288%0.88280%0.797SS**  -160.1158.9103-122.4-88.4000111.4
416A37.5Very low41.2Very low81 Ų81138.3 Ų138.367%0.66979%0.791SS**  trans-146143-179.800000112.5
417H42.1Very low41.3Very low182 Ų182139.9 Ų139.984%0.84380%0.796SS**  trans-176126154.5-88.6-65.5000105.9
418A40.4Very low40.7Very low87 Ų87136.3 Ų136.372%0.71979%0.789SS**  cis86.8120.247.500000114.1
419V44.4Very low41.2Very low152 Ų152135.8 Ų135.892%0.92179%0.788SS**  trans-176153.5148.4140.50000109.6
420E40.3Very low41.6Very low179 Ų179136.5 Ų136.584%0.83679%0.79SS**  trans-105.8164.6-161-62.7179.5114.800116
421P41.3Very low41.5Very low122 Ų122138.8 Ų138.879%0.79279%0.793SS**  trans-87167.816736.5-35.7000113.4
422S41.6Very low41.3Very low125 Ų125136 Ų13687%0.87479%0.786SS**  trans-151.7161.3176.8-880000115.3
423K38.5Very low41.2Very low192 Ų192138.7 Ų138.784%0.83579%0.79SS**  trans-103.2159.2-167-56.5167.5-179169.60113.4
424I42.5Very low41.2Very low166 Ų166137.9 Ų137.985%0.85179%0.787SS**  trans-173.4161.5149.7-97.5146.2000108.4
425I41.4Very low41.4Very low139 Ų139140.9 Ų140.971%0.71379%0.79SS**  -170.8132.4-64.3-100.4164.9000108.5
426S37.5Very low41.7Very low100 Ų100141.2 Ų141.270%0.69979%0.791SS**  trans37.5132.6151.4-160.20000123.4
427T42.8Very low42Very low145 Ų145145.8 Ų145.889%0.8980%0.799SS**  179.9167.5108.429.80000111.8
428G33Very low42.4Very low72 Ų72142 Ų14274%0.74279%0.791SS**  trans-145.1-171.7-167.100000117.7
429P52.2Low42.5Very low123 Ų123143 Ų14380%0.79979%0.792SS**  trans-119.3167.7-160.942.2-33.7000117.6
430P47.9Very low42.6Very low113 Ų113141.2 Ų141.273%0.73479%0.787SS**  trans-105.2148.8156.86.216.6000112.1
431K40.4Very low42.8Very low201 Ų201139.2 Ų139.287%0.87479%0.786SS**  69139.263.5-68.9-177.2179.5-179.70113.5
432S41.9Very low43Very low94 Ų94138.2 Ų138.266%0.65778%0.78SS**  cis-169.3-175.38.138.90000112.7
433Q41.5Very low42.9Very low172 Ų172143 Ų14380%0.80478%0.78SS**  trans77.5148.5158.8-84.3166.3-21.600118.2
434Q40.6Very low43Very low154 Ų154138.4 Ų138.472%0.7278%0.779SS**  cis-146.1172.3-3.9-165.4157.60.200112.9
435E41.8Very low42.9Very low159 Ų159134.8 Ų134.874%0.74377%0.773SS**  trans-73.5158.8-175.1-40.4118.1115.200115.7
436K47.2Very low42.6Very low208 Ų208133.1 Ų133.190%0.90477%0.774SS**  -170.1144.1112.9-150.6158.4-174.4170.50113.7
437E43.1Very low42.8Very low176 Ų176137.6 Ų137.682%0.82278%0.783SS**  trans-103.8-161.4177.4-63.1-160.8130.200113.1
438P50Low42.6Very low104 Ų104137.1 Ų137.168%0.67578%0.78SS**  -131.6-168.8-82.141.5-24.6000112.7
439S43.3Very low43.2Very low108 Ų108138.1 Ų138.176%0.75578%0.781SS**  163.5159.4121.653.50000116
440S45.2Very low42.8Very low114 Ų114140.3 Ų140.380%0.79779%0.786SS**  trans77.7123.5159.866.50000121.3
441T44.9Very low42.5Very low136 Ų136138 Ų13883%0.83478%0.783SS**  trans-108.8-161.3170.348.40000108.3
442P45.5Very low42.3Very low101 Ų101140.7 Ų140.766%0.65679%0.788SS**  cis-141.2-173-7.439.7-18.8000117.1
443Y40.4Very low42.6Very low225 Ų225142.8 Ų142.888%0.88280%0.796SS**  trans69.5117.9144.6-88.7-62.7000123.9
444A40.1Very low42.8Very low97 Ų97143.9 Ų143.980%0.80280%0.798SS**  trans-158.6145.113500000113.1
445A40.6Very low43.4Very low89 Ų89139.7 Ų139.774%0.73680%0.796SS**  trans-44.7134.8169.800000114
446S35.2Very low44.2Very low104 Ų104138.6 Ų138.673%0.72780%0.801SS**  80.4107.855.783.90000115.5
447H41.2Very low44.9Very low194 Ų194135.5 Ų135.590%0.89879%0.787SS**  trans-153.4133.1152.5-114.8-77.8000109.5
448V38.5Very low46.7Very low136 Ų136130.9 Ų130.982%0.82477%0.771SS**  trans-117.9143.1170.6176.10000107.4
449A46.7Very low48.2Very low92 Ų92130.8 Ų130.876%0.7677%0.773SS**  trans-140.6133.917400000109.2G451A449-G451 PolarHBondContact O-N 2.9Å
450D42.1Very low50.1Low170 Ų170129 Ų12991%0.90977%0.765SS**  trans-69.8126.5-174.1-71.8-70.6000113.2
451G42Very low51.9Low64 Ų64127.8 Ų127.866%0.6675%0.747SS**  trans-121.396.8176.800000111.3A449 V453A449-G451 PolarHBondContact O-N 2.9Å; G451-V453 VanDerWaalsContact C-N 3.35Å; G451-V453 PolarHBondContact O-N 3.01Å
452R37Very low53.6Low258 Ų258126.7 Ų126.797%0.97473%0.732SS**  trans-74.775.8-173.5-165.3-176-163.2172.96.3112.6K454R452-K454 PolarHBondContact O-N 3Å
453V46.9Very low55.7Low137 Ų137126.1 Ų126.183%0.8373%0.727SS**  trans-68.5120.6178.8-179.50000111G451 G455G451-V453 VanDerWaalsContact C-N 3.35Å; G451-V453 PolarHBondContact O-N 3.01Å; V453-G455 PolarHBondContact O-N 3.33Å
454K47.6Very low58.1Low196 Ų196121 Ų12185%0.85271%0.714SS**  trans-92.396.2174.4-168.9-179.3-176-174.30108.6R452 T456R452-K454 PolarHBondContact O-N 3Å; K454-T456 PolarHBondContact O-N 2.89Å
455G51.6Low60.4Low66 Ų66124.3 Ų124.368%0.6871%0.706SS**PPolyproline II helixtrans-62.3118.5-17600000112.8V453V453-G455 PolarHBondContact O-N 3.33Å
456T58.3Low62.9Low136 Ų136124.3 Ų124.383%0.83469%0.693SS**PPolyproline II helixtrans-91.4119.1164.148.70000108.6K454K454-T456 PolarHBondContact O-N 2.89Å
457F63Low65.6Low143 Ų143125.5 Ų125.563%0.62769%0.686SS**PPolyproline II helixtrans-60.9150.3169.2-71.4-79.9000110.7E461F457-E461 HydrophobicContact CD1-CB 4.47Å
458T81.4Confident68Low79 Ų79121.6 Ų121.649%0.48567%0.668SS.*PPolyproline II helixtrans-73.8150.8171.767.30000110.1A460 E461 Q462T458-A460 PolarHBondContact O-N 2.66Å; T458-E461 WeakPolarHBondContact CB-OE2 3.21Å; T458-E461 WeakPolarHBondContact CG2-OE2 3.3Å; T458-E461 PolarHBondContact N-OE2 3Å; T458-E461 PolarHBondContact O-N 3.39Å; T458-E461 VanDerWaalsContact O-N 3.09Å; T458-E461 VanDerWaalsContact OG1-CD 3.3Å; T458-E461 WeakPolarHBondContact OG1-CG 3.37Å; T458-E461 PolarHBondContact OG1-OE2 3.46Å; T458-Q462 PolarHBondContact O-N 3.08Å
459S80.2Confident70.4Confident102 Ų102117.6 Ų117.671%0.71365%0.649SS**Hα-helixtrans-57.8-25.9-178.2-172.60000113.4T463S459-T463 WeakPolarHBondContact O-CG2 3.46Å; S459-T463 PolarHBondContact O-N 2.9Å; S459-T463 PolarHBondContact O-OG1 3.15Å
460A83Confident72.5Confident70 Ų70116.1 Ų116.158%0.57963%0.631SS**Hα-helixtrans-74.2-42.7177.700000112.2T458 Q462 T463 L464T458-A460 PolarHBondContact O-N 2.66Å; A460-Q462 VanDerWaalsContact C-N 3.34Å; A460-T463 WeakPolarHBondContact CA-OG1 3.24Å; A460-T463 PolarHBondContact O-N 3.44Å; A460-T463 PolarHBondContact O-OG1 3.32Å; A460-L464 PolarHBondContact O-N 2.93Å; A460-L464 VanDerWaalsContact O-N 3.1Å
461E83.9Confident74.8Confident89 Ų89111 Ų11142%0.41660%0.603SS.*Hα-helixtrans-63.2-41.9176.2-68.3163.7122.800111F457 T458 L464 W465F457-E461 HydrophobicContact CD1-CB 4.47Å; T458-E461 WeakPolarHBondContact CB-OE2 3.21Å; T458-E461 WeakPolarHBondContact CG2-OE2 3.3Å; T458-E461 PolarHBondContact N-OE2 3Å; T458-E461 PolarHBondContact O-N 3.39Å; T458-E461 VanDerWaalsContact O-N 3.09Å; T458-E461 VanDerWaalsContact OG1-CD 3.3Å; T458-E461 WeakPolarHBondContact OG1-CG 3.37Å; T458-E461 PolarHBondContact OG1-OE2 3.46Å; E461-L464 WeakPolarHBondContact O-CB 3.37Å; E461-L464 PolarHBondContact O-N 2.93Å; E461-L464 VanDerWaalsContact O-N 3.1Å; E461-W465 PolarHBondContact O-N 3.25Å
462Q80.4Confident77.1Confident112 Ų112111.3 Ų111.352%0.52359%0.592SS.*Hα-helixtrans-64.3-42.7177.8-172.7158.1-0.400111.8T458 A460 L464 W465 D466T458-Q462 PolarHBondContact O-N 3.08Å; A460-Q462 VanDerWaalsContact C-N 3.34Å; Q462-L464 PolarHBondContact O-N 3.46Å; Q462-W465 PolarHBondContact O-N 3.17Å; Q462-D466 WeakPolarHBondContact O-CB 3.36Å; Q462-D466 VanDerWaalsContact O-CG 3.26Å; Q462-D466 PolarHBondContact O-N 2.86Å
463T89.4Confident79.5Confident89 Ų89103.4 Ų103.455%0.54657%0.569SS.*Hα-helixtrans-64.4-22173.351.30000114.3S459 A460 K467S459-T463 WeakPolarHBondContact O-CG2 3.46Å; S459-T463 PolarHBondContact O-N 2.9Å; S459-T463 PolarHBondContact O-OG1 3.15Å; A460-T463 WeakPolarHBondContact CA-OG1 3.24Å; A460-T463 PolarHBondContact O-N 3.44Å; A460-T463 PolarHBondContact O-OG1 3.32Å; T463-K467 WeakPolarHBondContact O-CB 3.1Å; T463-K467 PolarHBondContact O-N 3.07Å
464L91.2Very high81.7Confident118 Ų118100.6 Ų100.662%0.61855%0.545SS*.Hα-helixtrans-75-48.1172.9-161.280.4000110.6A460 E461 Q462 K467 E468A460-L464 PolarHBondContact O-N 2.93Å; A460-L464 VanDerWaalsContact O-N 3.1Å; E461-L464 WeakPolarHBondContact O-CB 3.37Å; E461-L464 PolarHBondContact O-N 2.93Å; E461-L464 VanDerWaalsContact O-N 3.1Å; Q462-L464 PolarHBondContact O-N 3.46Å; L464-K467 PolarHBondContact O-N 3.02Å; L464-E468 PolarHBondContact O-N 3.01Å
465W89.1Confident83.6Confident166 Ų16696.1 Ų96.163%0.62953%0.531SS*.Hα-helixtrans-60.9-45.3176.1-87.697.6000112.8E461 Q462 K467 E468 A469E461-W465 PolarHBondContact O-N 3.25Å; Q462-W465 PolarHBondContact O-N 3.17Å; W465-K467 VanDerWaalsContact C-N 3.28Å; W465-K467 PolarHBondContact O-N 3.08Å; W465-E468 PolarHBondContact O-N 3.27Å; W465-A469 VanDerWaalsContact O-CB 3.31Å; W465-A469 WeakPolarHBondContact O-CB 3.45Å; W465-A469 PolarHBondContact O-N 3.08Å
466D91.5Very high85.1Confident89 Ų89100.1 Ų100.148%0.47653%0.532SS..Hα-helixtrans-61.3-39.9177.3-67.5-29000110.6Q462 T470Q462-D466 WeakPolarHBondContact O-CB 3.36Å; Q462-D466 VanDerWaalsContact O-CG 3.26Å; Q462-D466 PolarHBondContact O-N 2.86Å; D466-T470 VanDerWaalsContact O-CG2 3.32Å; D466-T470 WeakPolarHBondContact O-CG2 3.36Å; D466-T470 PolarHBondContact O-N 3.49Å
467K91.8Very high86.4Confident130 Ų13099.3 Ų99.357%0.56552%0.521SS*.Hα-helixtrans-64.8-51.7175.7-173.4-177.7176.4-171.60111.5T463 L464 W465 A469 T470 D471T463-K467 WeakPolarHBondContact O-CB 3.1Å; T463-K467 PolarHBondContact O-N 3.07Å; L464-K467 PolarHBondContact O-N 3.02Å; W465-K467 VanDerWaalsContact C-N 3.28Å; W465-K467 PolarHBondContact O-N 3.08Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.36Å; K467-T470 PolarHBondContact O-N 3.23Å; K467-T470 VanDerWaalsContact O-N 3.09Å; K467-T470 PolarHBondContact O-OG1 3.48Å; K467-D471 PolarHBondContact O-N 3.24Å
468E92.4Very high87.3Confident112 Ų11295.5 Ų95.552%0.52352%0.522SS..Hα-helixtrans-57.5-44.3179.4-173.5169.8-175.200111.3L464 W465 T470 D471 V472L464-E468 PolarHBondContact O-N 3.01Å; W465-E468 PolarHBondContact O-N 3.27Å; E468-T470 PolarHBondContact O-N 3.02Å; E468-D471 PolarHBondContact O-N 2.75Å; E468-V472 WeakPolarHBondContact O-CG2 3.41Å; E468-V472 PolarHBondContact O-N 2.78Å
469A88.7Confident87.2Confident51 Ų5197.5 Ų97.542%0.42153%0.529SS..Hα-helixtrans-59.9-42.5174.200000112.7W465 K467 L473W465-A469 VanDerWaalsContact O-CB 3.31Å; W465-A469 WeakPolarHBondContact O-CB 3.45Å; W465-A469 PolarHBondContact O-N 3.08Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.36Å; A469-L473 WeakPolarHBondContact O-CB 3.48Å; A469-L473 WeakPolarHBondContact O-CG 3.44Å; A469-L473 PolarHBondContact O-N 2.93Å
470T90.5Very high86.7Confident62 Ų6294.6 Ų94.638%0.3851%0.511SS..Hα-helixtrans-69.2-31.4175.767.90000113.2D466 K467 E468 K474D466-T470 VanDerWaalsContact O-CG2 3.32Å; D466-T470 WeakPolarHBondContact O-CG2 3.36Å; D466-T470 PolarHBondContact O-N 3.49Å; K467-T470 PolarHBondContact O-N 3.23Å; K467-T470 VanDerWaalsContact O-N 3.09Å; K467-T470 PolarHBondContact O-OG1 3.48Å; E468-T470 PolarHBondContact O-N 3.02Å; T470-K474 WeakPolarHBondContact O-CD 3.31Å; T470-K474 WeakPolarHBondContact O-CE 3.42Å; T470-K474 WeakPolarHBondContact O-CG 3.37Å; T470-K474 PolarHBondContact O-N 2.96Å; T470-K474 PolarHBondContact OG1-NZ 3.12Å
471D90.6Very high85.3Confident63 Ų63101.5 Ų101.534%0.33753%0.528SS..Hα-helixtrans-76.6-33.9178.6-72.1-22.1000111.4K467 E468 K474 N475K467-D471 PolarHBondContact O-N 3.24Å; E468-D471 PolarHBondContact O-N 2.75Å; D471-K474 IonicContact OD1-NZ 2.65Å; D471-K474 PolarHBondContact OD1-NZ 2.95Å; D471-N475 VanDerWaalsContact O-CG 3.24Å; D471-N475 PolarHBondContact O-N 3.04Å; D471-N475 PolarHBondContact O-ND2 3.01Å; D471-N475 VanDerWaalsContact O-ND2 3.1Å
472V91.6Very high83.7Confident69 Ų69101.5 Ų101.542%0.41853%0.534SS..Hα-helixtrans-60.7-50.8166.2172.30000110.8E468 K474 N475 E476E468-V472 WeakPolarHBondContact O-CG2 3.41Å; E468-V472 PolarHBondContact O-N 2.78Å; V472-K474 VanDerWaalsContact C-N 3.34Å; V472-K474 PolarHBondContact O-N 3.46Å; V472-N475 WeakPolarHBondContact O-CB 3.27Å; V472-N475 PolarHBondContact O-N 3.23Å; V472-E476 HydrophobicContact CG1-CG 4.45Å; V472-E476 PolarHBondContact O-N 2.95Å
473L86.9Confident82.3Confident93 Ų93100.4 Ų100.449%0.48754%0.537SS..Hα-helixtrans-60.7-37.7178.9-77.8167000113.1A469 N475 E476 L477A469-L473 WeakPolarHBondContact O-CB 3.48Å; A469-L473 WeakPolarHBondContact O-CG 3.44Å; A469-L473 PolarHBondContact O-N 2.93Å; L473-N475 VanDerWaalsContact C-N 3.28Å; L473-N475 PolarHBondContact O-N 3.45Å; L473-E476 PolarHBondContact O-N 2.91Å; L473-L477 VanDerWaalsContact O-CB 3.25Å; L473-L477 WeakPolarHBondContact O-CB 3.24Å; L473-L477 VanDerWaalsContact O-CG 3.23Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.16Å
474K92.3Very high80.6Confident78 Ų78104.8 Ų104.834%0.33955%0.551SS.*Hα-helixtrans-65.2-31175.1-72.6160.1-145.5152.40112.8T470 D471 V472 G478 I479 A480T470-K474 WeakPolarHBondContact O-CD 3.31Å; T470-K474 WeakPolarHBondContact O-CE 3.42Å; T470-K474 WeakPolarHBondContact O-CG 3.37Å; T470-K474 PolarHBondContact O-N 2.96Å; T470-K474 PolarHBondContact OG1-NZ 3.12Å; D471-K474 IonicContact OD1-NZ 2.65Å; D471-K474 PolarHBondContact OD1-NZ 2.95Å; V472-K474 VanDerWaalsContact C-N 3.34Å; V472-K474 PolarHBondContact O-N 3.46Å; K474-G478 PolarHBondContact O-N 3.29Å; K474-I479 PolarHBondContact O-N 2.72Å; K474-A480 HydrophobicContact CB-CB 4.26Å; K474-A480 PolarHBondContact O-N 3.47Å
475N87Confident78.6Confident102 Ų102104 Ų10455%0.54556%0.556SS.*Hα-helixtrans-77-44.2176.7-68.5-28.2000111.2D471 V472 L473 G478D471-N475 VanDerWaalsContact O-CG 3.24Å; D471-N475 PolarHBondContact O-N 3.04Å; D471-N475 PolarHBondContact O-ND2 3.01Å; D471-N475 VanDerWaalsContact O-ND2 3.1Å; V472-N475 WeakPolarHBondContact O-CB 3.27Å; V472-N475 PolarHBondContact O-N 3.23Å; L473-N475 VanDerWaalsContact C-N 3.28Å; L473-N475 PolarHBondContact O-N 3.45Å; N475-G478 PolarHBondContact O-N 2.81Å
476E84.9Confident76.8Confident150 Ų150101.1 Ų101.170%0.70155%0.552SS**Hα-helixtrans-66.4-36.3176.8-69.3-173.4162.800112.7V472 L473 G478V472-E476 HydrophobicContact CG1-CG 4.45Å; V472-E476 PolarHBondContact O-N 2.95Å; L473-E476 PolarHBondContact O-N 2.91Å; E476-G478 VanDerWaalsContact C-N 3.29Å; E476-G478 PolarHBondContact O-N 2.99Å
477L84.7Confident75.7Confident118 Ų11899.7 Ų99.762%0.61855%0.546SS*.THydrogen-bonded Turntrans-81.4-2.4175.6-64.5170.1000113.8L473 I479L473-L477 VanDerWaalsContact O-CB 3.25Å; L473-L477 WeakPolarHBondContact O-CB 3.24Å; L473-L477 VanDerWaalsContact O-CG 3.23Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.16Å; L477-I479 HydrophobicContact CB-CD1 3.74Å; L477-I479 HydrophobicContact CB-CG1 3.86Å; L477-I479 HydrophobicContact CD1-CD1 4.06Å; L477-I479 PolarHBondContact O-N 3.13Å
478G80.8Confident74.6Confident63 Ų63100.6 Ų100.665%0.64955%0.553SS**THydrogen-bonded Turntrans6619.1179.900000115.4K474 N475 E476K474-G478 PolarHBondContact O-N 3.29Å; N475-G478 PolarHBondContact O-N 2.81Å; E476-G478 VanDerWaalsContact C-N 3.29Å; E476-G478 PolarHBondContact O-N 2.99Å
479I79.8Confident73.8Confident122 Ų122102.6 Ų102.663%0.62656%0.562SS**  trans-83.5-23.9-174.2-60.3174.3000111.5K474 L477K474-I479 PolarHBondContact O-N 2.72Å; L477-I479 HydrophobicContact CB-CD1 3.74Å; L477-I479 HydrophobicContact CB-CG1 3.86Å; L477-I479 HydrophobicContact CD1-CD1 4.06Å; L477-I479 PolarHBondContact O-N 3.13Å
480A70.7Confident73.2Confident41 Ų41108.6 Ų108.634%0.33957%0.574SS.*SBendtrans-81.1128.9177.900000112.6K474 T482K474-A480 HydrophobicContact CB-CB 4.26Å; K474-A480 PolarHBondContact O-N 3.47Å; A480-T482 PolarHBondContact O-N 3.44Å
481K52.6Low72.5Confident215 Ų215112.8 Ų112.894%0.93559%0.587SS**  trans-72.596.5172.7-69.2-173.8177.6-1750111.2
482T50.5Low72.1Confident88 Ų88113.1 Ų113.154%0.5459%0.594SS.*  trans-74.4146.3167.952.80000111.5A480A480-T482 PolarHBondContact O-N 3.44Å
483P51Low71.6Confident90 Ų90113.7 Ų113.758%0.58460%0.6SS**  trans-65.1138.517428-34.5000111.6S485P483-S485 PolarHBondContact O-N 3.3Å; P483-S485 VanDerWaalsContact O-N 3.11Å
484E53.7Low71.4Confident181 Ų181113.6 Ų113.685%0.84660%0.6SS**G310 helixtrans-65.2-18.2-167.6-63.8174123.500114.7L486E484-L486 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.33Å
485S49.7Very low71Confident101 Ų101116.6 Ų116.671%0.70662%0.615SS**G310 helixtrans-76.8-9.4-174.554.40000115.7P483P483-S485 PolarHBondContact O-N 3.3Å; P483-S485 VanDerWaalsContact O-N 3.11Å
486L50.3Low71Confident105 Ų105117.6 Ų117.655%0.5562%0.616SS.*G310 helixtrans-114-4.9-170.1-123.1165.2000114.7E484E484-L486 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.33Å
487T68.5Low71.2Confident59 Ų59116 Ų11636%0.36261%0.609SS.*THydrogen-bonded Turntrans-90.6-42-179.453.20000112.4E489 R490 F491T487-E489 PolarHBondContact O-N 2.87Å; T487-R490 PolarHBondContact O-N 2.82Å; T487-F491 PolarHBondContact O-N 3.03Å
488Q68.6Low71.1Confident149 Ų149115.6 Ų115.670%0.69661%0.606SS**Hα-helixtrans-71.5-34.6-168.2-169.2158.5-5.400114S492Q488-S492 WeakPolarHBondContact O-CB 3.41Å; Q488-S492 PolarHBondContact O-N 2.94Å; Q488-S492 PolarHBondContact O-OG 3.2Å
489E76.2Confident71.4Confident154 Ų154114.9 Ų114.972%0.7259%0.591SS**Hα-helixtrans-66.9-41.8172.1-67.9-170.6150.200111.9T487 S492 C493T487-E489 PolarHBondContact O-N 2.87Å; E489-S492 PolarHBondContact O-N 3.18Å; E489-C493 WeakPolarHBondContact O-CB 3.39Å; E489-C493 PolarHBondContact O-N 3.36Å
490R76.9Confident71.7Confident177 Ų177113 Ų11367%0.66858%0.583SS**Hα-helixtrans-64.5-42.6175.9-76.4-173.6168.8-156.6-3112.3T487 S492 C493 L494T487-R490 PolarHBondContact O-N 2.82Å; R490-S492 VanDerWaalsContact C-N 3.35Å; R490-C493 PolarHBondContact O-N 3.43Å; R490-L494 WeakPolarHBondContact O-CB 3.31Å; R490-L494 WeakPolarHBondContact O-CG 3.44Å; R490-L494 PolarHBondContact O-N 3.43Å
491F74.4Confident72.4Confident151 Ų151116.4 Ų116.466%0.66259%0.593SS**Hα-helixtrans-64.3-38.7174.7-98.2-80.7000112.3T487 H495T487-F491 PolarHBondContact O-N 3.03Å; F491-H495 VanDerWaalsContact O-CB 3.24Å; F491-H495 WeakPolarHBondContact O-CB 3.37Å; F491-H495 PolarHBondContact O-N 2.78Å
492S83.3Confident73.9Confident69 Ų69115.8 Ų115.848%0.48359%0.585SS.*Hα-helixtrans-65.2-46.1176.8-56.40000111.4Q488 E489 R490 H495 E496Q488-S492 WeakPolarHBondContact O-CB 3.41Å; Q488-S492 PolarHBondContact O-N 2.94Å; Q488-S492 PolarHBondContact O-OG 3.2Å; E489-S492 PolarHBondContact O-N 3.18Å; R490-S492 VanDerWaalsContact C-N 3.35Å; S492-H495 PolarHBondContact O-N 3.41Å; S492-E496 PolarHBondContact O-N 2.91Å
493C80.7Confident75.6Confident81 Ų81115 Ų11555%0.54758%0.58SS.*Hα-helixtrans-62.4-46.9177.6-169.40000112.2E489 R490 H495 E496 E497E489-C493 WeakPolarHBondContact O-CB 3.39Å; E489-C493 PolarHBondContact O-N 3.36Å; R490-C493 PolarHBondContact O-N 3.43Å; C493-H495 PolarHBondContact O-N 3.38Å; C493-E496 PolarHBondContact O-N 3.25Å; C493-E497 WeakPolarHBondContact O-CB 3.49Å; C493-E497 PolarHBondContact O-N 3.32Å
494L83.3Confident77.2Confident92 Ų92115.5 Ų115.548%0.48258%0.577SS.*Hα-helixtrans-64.1-37.2176.2-74169.7000112.6R490 L498R490-L494 WeakPolarHBondContact O-CB 3.31Å; R490-L494 WeakPolarHBondContact O-CG 3.44Å; R490-L494 PolarHBondContact O-N 3.43Å; L494-L498 VanDerWaalsContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.38Å; L494-L498 WeakPolarHBondContact O-CD1 3.38Å; L494-L498 VanDerWaalsContact O-CG 3.24Å; L494-L498 WeakPolarHBondContact O-CG 3.41Å; L494-L498 PolarHBondContact O-N 3.3Å
495H82.7Confident78.5Confident141 Ų141110.5 Ų110.565%0.65356%0.557SS**Hα-helixtrans-67.1-39175.6-175.1-74.1000111.5F491 S492 C493 S499F491-H495 VanDerWaalsContact O-CB 3.24Å; F491-H495 WeakPolarHBondContact O-CB 3.37Å; F491-H495 PolarHBondContact O-N 2.78Å; S492-H495 PolarHBondContact O-N 3.41Å; C493-H495 PolarHBondContact O-N 3.38Å; H495-S499 VanDerWaalsContact O-CB 3.31Å; H495-S499 WeakPolarHBondContact O-CB 3.26Å; H495-S499 PolarHBondContact O-N 3.02Å; H495-S499 PolarHBondContact O-OG 3.5Å
496E88.2Confident79.8Confident123 Ų123111 Ų11158%0.57555%0.549SS*.Hα-helixtrans-65.4-47174.4-173.6163.4-165.500111.3S492 C493 L498 S499 N500S492-E496 PolarHBondContact O-N 2.91Å; C493-E496 PolarHBondContact O-N 3.25Å; E496-L498 PolarHBondContact O-N 2.91Å; E496-S499 PolarHBondContact O-N 3.48Å; E496-S499 VanDerWaalsContact O-N 3.16Å; E496-S499 PolarHBondContact O-OG 3.46Å; E496-N500 PolarHBondContact O-N 3.24Å; E496-N500 PolarHBondContact O-ND2 3.19Å; E496-N500 VanDerWaalsContact O-ND2 3.12Å
497E87.7Confident81.3Confident117 Ų117109.9 Ų109.955%0.54754%0.543SS..Hα-helixtrans-59.6-46.3176.2-171.8170.4-147.800112.6C493 S499 N500 M501C493-E497 WeakPolarHBondContact O-CB 3.49Å; C493-E497 PolarHBondContact O-N 3.32Å; E497-S499 VanDerWaalsContact C-N 3.34Å; E497-S499 PolarHBondContact O-N 3.36Å; E497-N500 PolarHBondContact O-N 3.46Å; E497-M501 PolarHBondContact O-N 2.85Å
498L83.4Confident81.6Confident108 Ų108109.7 Ų109.757%0.56555%0.548SS*.Hα-helixtrans-61.8-39.4173.8-76166.3000112.2L494 E496 M501 R502L494-L498 VanDerWaalsContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.38Å; L494-L498 WeakPolarHBondContact O-CD1 3.38Å; L494-L498 VanDerWaalsContact O-CG 3.24Å; L494-L498 WeakPolarHBondContact O-CG 3.41Å; L494-L498 PolarHBondContact O-N 3.3Å; E496-L498 PolarHBondContact O-N 2.91Å; L498-M501 HydrophobicContact CD2-CE 3.84Å; L498-M501 PolarHBondContact O-N 2.95Å; L498-R502 WeakPolarHBondContact O-CB 3.44Å; L498-R502 PolarHBondContact O-N 3.43Å
499S86.7Confident82Confident48 Ų48110.6 Ų110.634%0.33655%0.545SS..Hα-helixtrans-65.9-40.1176.979.10000111.9H495 E496 E497 R502 V503H495-S499 VanDerWaalsContact O-CB 3.31Å; H495-S499 WeakPolarHBondContact O-CB 3.26Å; H495-S499 PolarHBondContact O-N 3.02Å; H495-S499 PolarHBondContact O-OG 3.5Å; E496-S499 PolarHBondContact O-N 3.48Å; E496-S499 VanDerWaalsContact O-N 3.16Å; E496-S499 PolarHBondContact O-OG 3.46Å; E497-S499 VanDerWaalsContact C-N 3.34Å; E497-S499 PolarHBondContact O-N 3.36Å; S499-R502 PolarHBondContact O-N 3.39Å; S499-V503 WeakPolarHBondContact O-CG2 3.45Å; S499-V503 PolarHBondContact O-N 3.18Å
500N87.3Confident81.9Confident82 Ų82110.8 Ų110.844%0.43955%0.546SS..Hα-helixtrans-67.1-40.3176.8-74.8-41.5000111.8E496 E497 R502 V503 N504E496-N500 PolarHBondContact O-N 3.24Å; E496-N500 PolarHBondContact O-ND2 3.19Å; E496-N500 VanDerWaalsContact O-ND2 3.12Å; E497-N500 PolarHBondContact O-N 3.46Å; N500-R502 VanDerWaalsContact C-N 3.35Å; N500-R502 PolarHBondContact O-N 2.93Å; N500-V503 PolarHBondContact O-N 2.76Å; N500-N504 WeakPolarHBondContact O-CB 3.34Å; N500-N504 VanDerWaalsContact O-CG 3.28Å; N500-N504 PolarHBondContact O-N 3.29Å; N500-N504 PolarHBondContact O-ND2 2.98Å
501M83.8Confident81.5Confident114 Ų114109.3 Ų109.356%0.56255%0.546SS*.Hα-helixtrans-60.4-42.3170.4-74.2-158.3-6700112.3E497 L498 N504 D505E497-M501 PolarHBondContact O-N 2.85Å; L498-M501 HydrophobicContact CD2-CE 3.84Å; L498-M501 PolarHBondContact O-N 2.95Å; M501-N504 PolarHBondContact O-N 3.42Å; M501-D505 PolarHBondContact O-N 3.45Å
502R84.5Confident80.7Confident201 Ų201111.3 Ų111.376%0.75855%0.55SS*.Hα-helixtrans-67.1-37.9-180-156.8175.1-163.2167.85.8112.4L498 S499 N500 M506L498-R502 WeakPolarHBondContact O-CB 3.44Å; L498-R502 PolarHBondContact O-N 3.43Å; S499-R502 PolarHBondContact O-N 3.39Å; N500-R502 VanDerWaalsContact C-N 3.35Å; N500-R502 PolarHBondContact O-N 2.93Å; R502-M506 WeakPolarHBondContact O-CG 3.46Å; R502-M506 PolarHBondContact O-N 2.82Å
503V87Confident79.1Confident73 Ų73113.9 Ų113.944%0.44257%0.565SS.*Hα-helixtrans-64.6-43.1171.6170.90000110.9S499 N500 M506 L507S499-V503 WeakPolarHBondContact O-CG2 3.45Å; S499-V503 PolarHBondContact O-N 3.18Å; N500-V503 PolarHBondContact O-N 2.76Å; V503-M506 PolarHBondContact O-N 2.86Å; V503-L507 PolarHBondContact O-N 2.75Å
504N84Confident77.5Confident99 Ų99117.7 Ų117.753%0.52959%0.585SS.*Hα-helixtrans-66-38.7179.2-75.4-28.4000113.2N500 M501 L507 A508N500-N504 WeakPolarHBondContact O-CB 3.34Å; N500-N504 VanDerWaalsContact O-CG 3.28Å; N500-N504 PolarHBondContact O-N 3.29Å; N500-N504 PolarHBondContact O-ND2 2.98Å; M501-N504 PolarHBondContact O-N 3.42Å; N504-L507 PolarHBondContact O-N 3.03Å; N504-A508 WeakPolarHBondContact O-CB 3.28Å; N504-A508 PolarHBondContact O-N 3.16Å
505D81.8Confident75.5Confident76 Ų76116.1 Ų116.141%0.40659%0.591SS.*Hα-helixtrans-67-38.8173.6-175.448.3000111.8M501 L507 A508 R509M501-D505 PolarHBondContact O-N 3.45Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.03Å; D505-A508 PolarHBondContact O-N 2.85Å; D505-R509 WeakPolarHBondContact O-CB 3.36Å; D505-R509 VanDerWaalsContact O-CG 3.26Å; D505-R509 WeakPolarHBondContact O-CG 3.42Å; D505-R509 PolarHBondContact O-N 3.06Å; D505-R509 IonicContact OD1-NE 3.36Å; D505-R509 PolarHBondContact OD1-NE 3.31Å; D505-R509 IonicContact OD1-NH2 3.07Å; D505-R509 IonicContact OD2-CZ 2.65Å; D505-R509 IonicContact OD2-NE 2.78Å; D505-R509 PolarHBondContact OD2-NE 3.1Å; D505-R509 IonicContact OD2-NH2 2.66Å; D505-R509 PolarHBondContact OD2-NH2 3.27Å
506M75.8Confident73.5Confident112 Ų112118.9 Ų118.955%0.55260%0.604SS**Hα-helixtrans-61.4-41.5171.3-72-161-55.900112.2R502 V503 R509 Q510R502-M506 WeakPolarHBondContact O-CG 3.46Å; R502-M506 PolarHBondContact O-N 2.82Å; V503-M506 PolarHBondContact O-N 2.86Å; M506-R509 PolarHBondContact O-N 3.4Å; M506-Q510 WeakPolarHBondContact O-CG 3.38Å; M506-Q510 PolarHBondContact O-N 2.71Å
507L81.8Confident71.4Confident82 Ų82121.9 Ų121.943%0.42962%0.62SS.*Hα-helixtrans-64.7-44.1176.5-131.877.2000111.4V503 N504 D505 R509 Q510 Q511V503-L507 PolarHBondContact O-N 2.75Å; N504-L507 PolarHBondContact O-N 3.03Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.03Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.17Å; L507-Q510 PolarHBondContact O-N 2.72Å; L507-Q511 WeakPolarHBondContact O-CG 3.33Å; L507-Q511 PolarHBondContact O-N 2.79Å
508A76.1Confident69.3Low55 Ų55121.5 Ų121.546%0.45563%0.628SS.*Hα-helixtrans-64.3-33177.300000112.6N504 D505N504-A508 WeakPolarHBondContact O-CB 3.28Å; N504-A508 PolarHBondContact O-N 3.16Å; D505-A508 PolarHBondContact O-N 2.85Å
509R76.5Confident67.5Low167 Ų167122 Ų12263%0.6364%0.641SS**Hα-helixtrans-70.8-39.4171.4-70.8174.5-164.7-1247.4112.3D505 M506 L507 Q511D505-R509 WeakPolarHBondContact O-CB 3.36Å; D505-R509 VanDerWaalsContact O-CG 3.26Å; D505-R509 WeakPolarHBondContact O-CG 3.42Å; D505-R509 PolarHBondContact O-N 3.06Å; D505-R509 IonicContact OD1-NE 3.36Å; D505-R509 PolarHBondContact OD1-NE 3.31Å; D505-R509 IonicContact OD1-NH2 3.07Å; D505-R509 IonicContact OD2-CZ 2.65Å; D505-R509 IonicContact OD2-NE 2.78Å; D505-R509 PolarHBondContact OD2-NE 3.1Å; D505-R509 IonicContact OD2-NH2 2.66Å; D505-R509 PolarHBondContact OD2-NH2 3.27Å; M506-R509 PolarHBondContact O-N 3.4Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.17Å; R509-Q511 VanDerWaalsContact C-N 3.35Å
510Q74.2Confident65.5Low159 Ų159126.7 Ų126.774%0.74366%0.662SS**Hα-helixtrans-69.9-27.5175.8-74.1-174.76.400113.7M506 L507M506-Q510 WeakPolarHBondContact O-CG 3.38Å; M506-Q510 PolarHBondContact O-N 2.71Å; L507-Q510 PolarHBondContact O-N 2.72Å
511Q68.1Low63.3Low145 Ų145133.9 Ų133.968%0.67869%0.685SS**THydrogen-bonded Turntrans-85.31.6-179.8-71-177.41600114.6L507 R509 P513L507-Q511 WeakPolarHBondContact O-CG 3.33Å; L507-Q511 PolarHBondContact O-N 2.79Å; R509-Q511 VanDerWaalsContact C-N 3.35Å; Q511-P513 WeakPolarHBondContact O-CD 3.44Å
512R57.2Low61.4Low194 Ų194135.6 Ų135.673%0.73270%0.701SS**SBendtrans-69.6122.5173.8-70.6-169177.7-167.2-0.1110.5V514R512-V514 PolarHBondContact O-N 3.47Å
513P49.3Very low59.3Low123 Ų123129.7 Ų129.780%0.79970%0.703SS**  trans-63.4125.2-179.8-23.134.4000112.1Q511 G515Q511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-G515 PolarHBondContact O-N 2.82Å
514V48.9Very low57.4Low161 Ų161133.6 Ų133.698%0.97672%0.721SS**  trans-76.787.9170.8-177.20000108.3R512R512-V514 PolarHBondContact O-N 3.47Å
515G40.2Very low55.6Low59 Ų59137 Ų13761%0.60874%0.736SS**  trans-153.8137.8-17600000114.1P513P513-G515 PolarHBondContact O-N 2.82Å
516Q42.1Very low54Low199 Ų199141.4 Ų141.493%0.9375%0.754SS**  trans62.172.5168.3-55.7-174.84.700116.7
517M42.2Very low52.7Low185 Ų185143 Ų14391%0.91177%0.765SS**  trans-88.8147.9141.5-88.8-159.8168.300110.3
518P45.5Very low51.1Low110 Ų110147.4 Ų147.471%0.71478%0.781SS**  trans-73.7136.3-174.628.9-34.7000112.9N520P518-N520 PolarHBondContact O-N 2.84Å
519S43.6Very low49.8Very low118 Ų118152.5 Ų152.583%0.82580%0.797SS**SBendtrans-75.639.4-172.7-172.20000115.2
520N45.7Very low48.5Very low147 Ų147152.3 Ų152.379%0.78680%0.803SS**  trans-125.526.2-170.1-75.6-22.9000114.4P518P518-N520 PolarHBondContact O-N 2.84Å
521Y40.8Very low47.1Very low232 Ų232153 Ų15391%0.9181%0.807SS**SBendtrans-143.322.7175.9-115.5-82000115.3
522V43.9Very low46.2Very low150 Ų150154.3 Ų154.391%0.90982%0.815SS**  trans-117.994.7175.9-177.20000109
523G40.2Very low45.5Very low77 Ų77152.1 Ų152.179%0.79482%0.818SS**SBendtrans173.931-175.700000117.4
524N47.3Very low45.3Very low156 Ų156153.1 Ų153.183%0.83482%0.821SS**SBendtrans-153.212.3175.5-138.2-2.3000117.6
525M47.1Very low44.9Very low171 Ų171149.1 Ų149.184%0.84281%0.812SS**SBendtrans-112.7-16.3175.9-75.4-161.3-95.800114.8N527 K528M525-N527 PolarHBondContact O-N 2.78Å; M525-K528 PolarHBondContact O-N 2.63Å
526E47.2Very low45.3Very low168 Ų168154.2 Ų154.279%0.78583%0.826SS**G310 helixtrans-75-25.4-171.8-155.3155.4-158.400113.5K528E526-K528 VanDerWaalsContact C-N 3.26Å; E526-K528 PolarHBondContact O-N 3.36Å
527N49.3Very low45.3Very low145 Ų145156.5 Ų156.578%0.77583%0.826SS**G310 helixtrans-78.44.3177.2-77.8-18.6000114.8M525M525-N527 PolarHBondContact O-N 2.78Å
528K47.7Very low45.2Very low175 Ų175151.2 Ų151.276%0.76182%0.818SS**G310 helixtrans-1154.4-174.2-142.6172.5-175.7177.90115.9M525 E526M525-K528 PolarHBondContact O-N 2.63Å; E526-K528 VanDerWaalsContact C-N 3.26Å; E526-K528 PolarHBondContact O-N 3.36Å
529M49.7Very low45.4Very low162 Ų162153 Ų15380%0.79883%0.828SS**SBendtrans-108.8-2.7173-73.5-150.1-68.400115
530Q48.3Very low45.3Very low162 Ų162153 Ų15376%0.75783%0.828SS**SBendtrans-91.3-10.1-178.3-65-170.51.700114.7
531E45Very low45.5Very low175 Ų175154.2 Ų154.282%0.81883%0.832SS**SBendtrans-93-6.9-177.3-64.8-166.4128.200115.5
532M48.7Very low45.5Very low171 Ų171146.1 Ų146.184%0.84282%0.82SS**SBendtrans-94.810.8-179.3-76.8-166.2-72.800115.1
533N42Very low46.2Very low149 Ų149145.3 Ų145.380%0.79782%0.817SS**  trans-111.844.5-174.5-161.710.2000114.3
534V44.9Very low46.6Very low143 Ų143146.2 Ų146.287%0.86781%0.812SS**  trans-137.5116.2171.6-175.40000111.3
535G41.7Very low47Very low77 Ų77143.1 Ų143.179%0.79481%0.807SS**  trans111.276.2151.400000118.3
536N47.7Very low47.6Very low166 Ų166140.6 Ų140.689%0.88880%0.804SS**  trans-148.3124.9134.9-150.4-19.5000111.9
537R42.9Very low47.6Very low248 Ų248138.1 Ų138.194%0.93681%0.805SS**  trans-140.7123.5177.4-103.1-166.8178.8-1652.6110.2
538G40.2Very low47.6Very low73 Ų73135.2 Ų135.275%0.75380%0.796SS**  trans105.698.1140.900000118.1
539T48.9Very low47.7Very low148 Ų148136 Ų13691%0.90880%0.799SS**  trans-136.6123.1140.750.30000108.4
540S41.2Very low47.6Very low119 Ų119135 Ų13583%0.83280%0.797SS**  trans-143.3152179.258.90000111.2
541I51.8Low47.8Very low172 Ų172134.4 Ų134.488%0.88280%0.796SS**  trans-132128.5177.2-61.4179.6000107.6
542G40.2Very low48.1Very low62 Ų62132.4 Ų132.464%0.63979%0.791SS**  trans-91.4-143.2177.500000112.5
543P57.2Low47.7Very low132 Ų132134.8 Ų134.886%0.85779%0.792SS**  cis-109.1-153.512.845.5-36.2000111.5
544S50.3Low47.8Very low97 Ų97138.9 Ų138.968%0.67880%0.796SS**  cis-159.31414.653.60000113.9
545A55.9Low47.7Very low90 Ų90137.6 Ų137.674%0.74479%0.789SS**  60154.3128.900000122.9
546P58.2Low47.6Very low119 Ų119139.3 Ų139.377%0.77379%0.788SS**  cis-142.9-177.5-34.238.7-21.4000115.3
547S48Very low47.4Very low116 Ų116139.9 Ų139.981%0.81179%0.786SS**  trans82.5134.1154.7-147.30000117.7
548S48.8Very low47.3Very low84 Ų84132.4 Ų132.459%0.58777%0.771SS**  cis-166.5156.1-11.358.50000113.8
549K51.1Low47.3Very low190 Ų190134.9 Ų134.983%0.82678%0.776SS**  trans67152.1157.6-65.4165.1-177.8177.10116.9
550L47.1Very low46.8Very low142 Ų142136.5 Ų136.574%0.74377%0.773SS**  cis-149.2162.1-4.9-152.874.8000110.4
551M51.2Low47Very low149 Ų149135.8 Ų135.873%0.73477%0.766SS**  trans7.3153.9153.4-77.2165137.500122.7
552D52Low46.5Very low133 Ų133134.4 Ų134.471%0.71177%0.765SS**  cis-152173.613.1-132.8-30.6000115.7
553Y40.3Very low46.6Very low221 Ų221137.6 Ų137.687%0.86777%0.772SS**  trans-98158.9179.5-110.1-108.7000113.9
554R43.6Very low46.2Very low236 Ų236138.5 Ų138.589%0.89177%0.77SS**  trans149148.2146.8-85.8-169.6174.9-170.8-1.4111.1
555T44.3Very low45.7Very low115 Ų115141.9 Ų141.971%0.70678%0.775SS**  cis-159.1145.4-24.8-70.70000107.1
556S38.8Very low45.2Very low113 Ų113146.5 Ų146.579%0.7978%0.783SS**  trans-106128.1177.343.30000113.9
557Q43.5Very low44.4Very low178 Ų178149.7 Ų149.783%0.83279%0.788SS**  trans-158.1154.9168.8-77.9-169.8-7.900108.5
558S40Very low44.4Very low91 Ų91149 Ų14964%0.63678%0.781SS**  cis-171.8157.7-22.559.30000111.6
559C41.8Very low44Very low125 Ų125150 Ų15085%0.84579%0.788SS**  trans84.3148.6153.8-60.80000121.3
560Q36.8Very low43.6Very low182 Ų182149.7 Ų149.785%0.8579%0.789SS**  trans-112.6-138171.8-73.3-170.6-18.400109.4
561P46.1Very low43.4Very low104 Ų104149.2 Ų149.268%0.67580%0.798SS**  -118.7-177.6-91.533.9-18.1000113.1
562T41.9Very low42.8Very low143 Ų143146 Ų14688%0.87780%0.803SS**  trans-164.1162.7146.440000112.7
563V41.2Very low42.2Very low130 Ų130143.2 Ų143.279%0.78881%0.805SS**  trans-122.8157.4174.8-76.20000110.1
564N49.6Very low42.4Very low151 Ų151138.7 Ų138.781%0.80780%0.801SS**  trans-172.5129.7154.2-81.7-29.6000104.8
565E40.3Very low42.4Very low167 Ų167134.8 Ų134.878%0.7880%0.797SS**  cis8199.736.8-166.5173.2-121.700114.4
566M44.1Very low42.4Very low187 Ų187137.2 Ų137.292%0.92180%0.804SS**  trans-172.3151.8133.6-108.1175.8-78.800115.1
567H41.6Very low42.5Very low186 Ų186134.8 Ų134.886%0.86180%0.798SS**  trans-70.5-179.2-166.1-109.8-128.4000118.4
568P49.3Very low42.7Very low102 Ų102131.8 Ų131.866%0.66280%0.796SS**  trans-110.2-176.7-165.743.4-36.6000114.7
569S39.8Very low42.9Very low106 Ų106135.9 Ų135.974%0.74181%0.805SS**  165.9141.5124.849.50000116.6
570Q42.1Very low43.2Very low182 Ų182141.2 Ų141.285%0.8581%0.808SS**  trans56153.5142.2-66.4-173.73.100124.3
571S43.6Very low43.8Very low132 Ų132137.9 Ų137.992%0.92380%0.802SS**  trans68147176.576.30000116.6
572G38.2Very low43.7Very low82 Ų82136.9 Ų136.985%0.84580%0.803SS**  cis161.5112.9-1100000113.6
573G39.7Very low43.8Very low74 Ų74135.2 Ų135.276%0.76380%0.797SS**  trans133.5160.8170.400000114.5
574V43.8Very low43.8Very low127 Ų127133.9 Ų133.977%0.7780%0.799SS**  cis170.3142.9-32.5136.20000107.3
575L44Very low43.6Very low154 Ų154135.6 Ų135.681%0.80680%0.802SS**  trans65.9148.2175.6-69.4161.3000115.8
576L44.7Very low43.9Very low165 Ų165134.8 Ų134.886%0.86481%0.809SS**  cis-133.8172.8-8.5-6897.9000108.1
577G41.4Very low44Very low63 Ų63130.6 Ų130.665%0.64980%0.804SS**  cis141.5149.9-3.200000112.8
578S46.5Very low44.3Very low115 Ų115126.6 Ų126.680%0.80480%0.803SS**  trans83.7143.3-176.7-49.70000115.9
579Q44.4Very low44Very low177 Ų177127.1 Ų127.183%0.82781%0.805SS**  cis-155.9137.3-11.6-96.6158.120.700104.8
580R47.3Very low44.1Very low236 Ų236131.7 Ų131.789%0.89181%0.811SS**  cis66.5140.943.3-114.5-150.4171.3-158.1-2.3115.1
581P50.9Low44Very low112 Ų112126 Ų12673%0.72780%0.801SS**  cis-135.8-165.7-12.242.6-24000114.9
582A44.2Very low44Very low84 Ų84126.6 Ų126.669%0.69480%0.8SS**  trans-81.8-175.3173.900000113
583S42.4Very low44.1Very low108 Ų108127.1 Ų127.176%0.75580%0.796SS**  -174.3149.964.2-52.70000115.4
584A42.4Very low44.2Very low101 Ų101128.4 Ų128.484%0.83580%0.8SS**  trans50.9129.5134.700000123.2
585E44.9Very low44.1Very low188 Ų188127.2 Ų127.288%0.87980%0.803SS**  trans-151.7126.1138.4-151.3170-137.400111
586T46.8Very low43.8Very low150 Ų150125.3 Ų125.392%0.9280%0.802SS**  trans-160.4120.1166.9-56.10000107.7
587A46.2Very low44.2Very low98 Ų98122.6 Ų122.681%0.8180%0.795SS**  trans-121.8131-168.700000113.2
588A48.2Very low44.3Very low102 Ų102125.3 Ų125.384%0.84380%0.798SS**  trans-158.7128.3154.300000108.7
589T42.2Very low44.1Very low114 Ų114128.1 Ų128.170%0.69980%0.799SS**  trans-146.7158.8-179.8-57.30000108.6
590F42.9Very low44Very low202 Ų202125.2 Ų125.289%0.88680%0.798SS**  trans69.3139.2-170.9-44.1-79.2000112.5
591G39.5Very low43.7Very low62 Ų62121.4 Ų121.464%0.63980%0.795SS**  cis114.2109.310.300000109.4
592T42.5Very low43.3Very low144 Ų144121.8 Ų121.888%0.88380%0.801SS**  17617284.335.30000110.6
593A41.5Very low43Very low94 Ų94121.9 Ų121.978%0.77780%0.801SS**  trans66.3133.9178.400000115.3
594A40.9Very low43.1Very low101 Ų101123.3 Ų123.384%0.83581%0.806SS**  cis72.3132.642.700000112.9
595A43Very low43.2Very low102 Ų102124.3 Ų124.384%0.84380%0.801SS**  cis-137.5175.825.500000116
596S37.4Very low43.5Very low113 Ų113121.1 Ų121.179%0.7980%0.797SS**  trans-113.5-173.6168-137.60000108.1
597P51.8Low43Very low109 Ų109119.6 Ų119.671%0.70879%0.792SS**  cis-131.7-118.8-16.339.3-19.1000111.4
598V44.8Very low42.8Very low119 Ų119119 Ų11972%0.72179%0.787SS**  trans84.8111.8178.3-175.60000114.1
599Q42.1Very low42.5Very low175 Ų175120.3 Ų120.382%0.81879%0.785SS**  cis84.397.541.4-68.6-169.6-20.500116.6
600S41.7Very low42.6Very low116 Ų116124 Ų12481%0.81180%0.796SS**  trans174.9118.1137.353.90000108.2
601N41.6Very low42.4Very low155 Ų155118.2 Ų118.283%0.82979%0.794SS**  cis72.8136.344.3-80-8.8000117.1
602S41.5Very low42.4Very low121 Ų121119 Ų11985%0.84680%0.802SS**  trans80.8152.515779.70000119.3
603A38.9Very low42.3Very low85 Ų85116.4 Ų116.470%0.70280%0.804SS**  cis-176.8-171.2-27.800000109.9
604V43.9Very low42.2Very low139 Ų139115.6 Ų115.684%0.84281%0.805SS**  trans94.7119.2151.9-171.50000118.3
605T44.3Very low42Very low121 Ų121114.4 Ų114.474%0.74280%0.803SS**  trans-89.2161.2167.448.60000111.6
606P50.8Low42.1Very low122 Ų122115.2 Ų115.279%0.79280%0.799SS**  -133.2163.5100.611.311.1000112.1
607S38Very low42.2Very low117 Ų117116.8 Ų116.882%0.81880%0.798SS**  cis98.215725.8-157.60000114.8
608A41.9Very low41.5Very low86 Ų86118.7 Ų118.771%0.71180%0.801SS**  trans73.4128.8-162.100000114.8
609V41.6Very low41.2Very low130 Ų130118.1 Ų118.179%0.78880%0.802SS**  cis88.6141.516.2-169.20000114.9
610M44.1Very low41.1Very low190 Ų190113.7 Ų113.794%0.93680%0.796SS**  trans71.5140.6-157.8-49.8-65.2-164.900112
611G38.4Very low41.2Very low81 Ų81114.5 Ų114.584%0.83580%0.796SS**  cis154.4156.10.800000108
612G39.8Very low41.3Very low79 Ų79116.5 Ų116.581%0.81480%0.797SS**  cis172.1162.1-3.700000109.8
613G40.9Very low41.4Very low89 Ų89117.1 Ų117.192%0.91879%0.79SS**  trans83.9156.5179.600000114.8
614G39.4Very low41.8Very low78 Ų78123.5 Ų123.580%0.80480%0.796SS**  cis-160.8153.5-0.400000112.3
615G36.5Very low42.2Very low76 Ų76121.1 Ų121.178%0.78478%0.784SS**  trans-85.1-156.9-176.200000115
616P45.9Very low42.5Very low119 Ų119122.8 Ų122.877%0.77378%0.783SS**  trans-121-162-137.935.2-17000113.9
617L38.7Very low42.2Very low145 Ų145122.2 Ų122.276%0.75978%0.777SS**  trans93.1123.8164.7-58.4165.8000117.8
618L37.5Very low42.3Very low149 Ų149121.8 Ų121.878%0.7877%0.774SS**  trans65.1128.1131-64.2173.9000121.4
619S37.3Very low42.5Very low107 Ų107124.3 Ų124.375%0.74878%0.781SS**  trans80.3107.8133.1-64.60000121.2
620A40.5Very low42.4Very low83 Ų83123.1 Ų123.169%0.68678%0.778SS**  106.5131.5112.300000121.4
621T43.3Very low42.3Very low133 Ų133124 Ų12482%0.81678%0.777SS**  trans67.1107.4143.150.70000121.8
622K43.9Very low42.3Very low196 Ų196128.9 Ų128.985%0.85278%0.778SS**  157.3144.9125.7-86.3176.2173.7-1780108.1
623I45.1Very low42.4Very low134 Ų134131 Ų13169%0.68778%0.78SS**  cis-156.2124.9-4.6-114158.7000104.7
624R46.4Very low42.2Very low219 Ų219130 Ų13083%0.82677%0.769SS**  67.6144.186.5-160.5-150.5-179.2-168.41.2113.4
625P51.8Low42.3Very low90 Ų90133.6 Ų133.658%0.58478%0.775SS**  cis-116.2-165.7-16.617.69.4000111.7
626E51Low42.3Very low156 Ų156135 Ų13573%0.72977%0.773SS**  cis-157.2152.742.6-79.9-78.3105.500113.9
627V44.1Very low42.1Very low110 Ų110139 Ų13967%0.66778%0.779SS**  trans39.6106.2148.3-177.10000118.6
628S40.8Very low42.3Very low108 Ų108136.1 Ų136.176%0.75577%0.771SS**  66.3141.764.5-52.40000114.3
629T46.1Very low42.6Very low139 Ų139136.9 Ų136.985%0.85377%0.77SS**  cis-144.5168.324.951.70000112.9
630S38.4Very low42.9Very low104 Ų104140.3 Ų140.373%0.72777%0.774SS**  trans-117.3152.3177.4580000112.7
631F42.1Very low43.1Very low208 Ų208142.1 Ų142.191%0.91277%0.772SS**  trans-149.1153.8154.8-102.3-72.9000113.7
632H39.6Very low43.4Very low185 Ų185142.2 Ų142.286%0.85677%0.773SS**  trans-112.7141.7172.5-76.2-12.6000110.7
633S40.9Very low43.6Very low124 Ų124137.4 Ų137.487%0.86776%0.764SS**  trans-177.1145.4135.953.40000110.8
634G36.5Very low43.6Very low67 Ų67138 Ų13869%0.69177%0.768SS**  trans-107.6-141.5171.700000112.7
635V42.7Very low43.6Very low153 Ų153133 Ų13393%0.92776%0.762SS**  trans92.7140.8-177.8-173.30000114.3
636S36.6Very low43.2Very low106 Ų106137.4 Ų137.474%0.74177%0.774SS**  trans-115.8176.8-170.8-38.80000112.3
637K41.2Very low42.8Very low204 Ų204139.6 Ų139.689%0.88778%0.782SS**  trans95.2152.6-175.1-62.5176.7176.9-173.80113.7
638S43.7Very low42.5Very low84 Ų84138.5 Ų138.559%0.58779%0.792SS**  cis-163166-28.5580000109.3
639E43Very low42.4Very low164 Ų164136.3 Ų136.377%0.76679%0.787SS**  trans35.3111.6151.2-61.5149.3141.700119.7
640H44.3Very low42.2Very low179 Ų179140.9 Ų140.983%0.82979%0.79SS**  -169.9168.8103.7-111.6-53.1000115
641D44.3Very low43.1Very low121 Ų121140.8 Ų140.865%0.64779%0.787SS**  trans-85.4-178.3-164.8-54.8-97000116.4
642T49.4Very low43.3Very low136 Ų136139 Ų13983%0.83479%0.786SS**  trans76.5148.4156.466.80000119.2
643S47.6Very low43.6Very low95 Ų95133.3 Ų133.366%0.66477%0.771SS**  cis-168.9149.5-28.756.30000111.3
644N44.6Very low44Very low145 Ų145136.3 Ų136.378%0.77577%0.771SS**  trans58.8120.7148-79.6-12.1000122.2
645V47.4Very low44.5Very low114 Ų114137.3 Ų137.369%0.69177%0.773SS**  58.5116.8121.7-179.10000118.8
646Q43.2Very low45.1Very low183 Ų183135.4 Ų135.486%0.85576%0.764SS**  -169.8-17589.1-143.2147.832.500113.7
647K42.7Very low45.6Very low203 Ų203135.1 Ų135.188%0.88376%0.762SS**  trans-80.6150.2-166.5-62.3175.8175.7179.60113.9
648G38.3Very low46.1Very low86 Ų86131.7 Ų131.789%0.88776%0.758SS**  trans-88.6-158-17400000118.6
649G38.7Very low46.2Very low62 Ų62134.9 Ų134.964%0.63977%0.769SS**  trans155.4110.2173.200000117.3
650Y40.5Very low46.2Very low235 Ų235132.4 Ų132.492%0.92277%0.77SS**  trans61.3-176.5157.6-55.4-75.2000116.6
651P57.1Low46.1Very low103 Ų103129.2 Ų129.267%0.66977%0.768SS**  cis-138.4-178.8-5.543-25.7000117.3
652L47.7Very low46.2Very low170 Ų170128.6 Ų128.689%0.8977%0.773SS**  trans65.8164.3147.7-105.766000119.7
653A46.2Very low46Very low65 Ų65129.6 Ų129.654%0.53778%0.778SS.*  cis-158.1174.7-5.400000113.4
654E49.2Very low45.8Very low187 Ų187128.6 Ų128.687%0.87478%0.783SS**  trans70.7139.7154.4-69.9152.8-141.200121.1
655A45.9Very low45.8Very low89 Ų89133.6 Ų133.674%0.73679%0.791SS**  cis106.1155.811.600000115.3
656P56.2Low46.1Very low112 Ų112133.8 Ų133.873%0.72779%0.794SS**  cis-143.6160.8-26.238.6-19.2000118.7
657S46.2Very low46.2Very low100 Ų100133.8 Ų133.870%0.69980%0.798SS**  trans64.8153.7133.973.40000127.8
658T51.9Low46.3Very low133 Ų133127.5 Ų127.582%0.81679%0.791SS**  trans87.5159.5155.571.70000122
659N45.1Very low46.4Very low150 Ų150131.2 Ų131.280%0.80279%0.79SS**  -167.8174.2-52.2-150.8-7000112
660S43.1Very low46.6Very low113 Ų113135.4 Ų135.479%0.7980%0.803SS**  trans87175.2158.383.20000121.2
661S42.2Very low46.5Very low112 Ų112128.3 Ų128.378%0.78379%0.793SS**  trans-166.5151.7-145.259.30000116.7
662S46.3Very low45.8Very low108 Ų108129.7 Ų129.776%0.75580%0.799SS**  trans-168.4120.4155.956.70000112.3
663V45.9Very low45.4Very low156 Ų156126.3 Ų126.395%0.94579%0.79SS**  69.712289.5177.30000116.3
664G43Very low45Very low74 Ų74131.1 Ų131.176%0.76380%0.801SS**  trans178150.5168.900000112.9
665R44.7Very low44.5Very low251 Ų251128.1 Ų128.195%0.94780%0.796SS**  trans-129.3153.3-176.9-81.7-175.8172.2-172.4-1.8113.1
666P53.7Low44.3Very low117 Ų117132.3 Ų132.376%0.7680%0.8SS**  trans-95164.6174.938.6-35.8000113.8
667I46.7Very low43.5Very low184 Ų184135.4 Ų135.494%0.94481%0.807SS**  trans-172.3151.4160.1-101.4149.7000109.4
668G42.9Very low43.6Very low70 Ų70138.9 Ų138.972%0.72282%0.816SS**  trans123.2106.414900000117.9
669N41.2Very low43Very low164 Ų164140.3 Ų140.388%0.87782%0.819SS**  trans-91.1157.7163-62.6-27.8000110.6
670V42Very low43Very low151 Ų151136.6 Ų136.692%0.91582%0.816SS**  -179158.3129.6144.80000108.8
671A39.6Very low42.8Very low86 Ų86137.1 Ų137.171%0.71182%0.818SS**  trans-122.1-165.9-171.600000112.7
672V42.3Very low43Very low131 Ų131138.8 Ų138.879%0.79482%0.817SS**  trans101.897.4161.6-172.90000117.7
673S39.5Very low42.9Very low100 Ų100144.8 Ų144.870%0.69982%0.823SS**  trans71.8149.9133.685.40000125.1
674H37.7Very low42.4Very low165 Ų165146.5 Ų146.576%0.76482%0.82SS**  trans104.8130.8133.9-132.5-70.7000121.6
675T39.3Very low43.3Very low125 Ų125149 Ų14977%0.76782%0.823SS**  trans89.5146.3154.5-14.30000119.9
676Q41.4Very low43.4Very low177 Ų177142.3 Ų142.383%0.82782%0.815SS**  trans-99.2-174.8179-61.6169.6-41.700111.4
677M39.6Very low42.7Very low177 Ų177143.5 Ų143.587%0.87281%0.814SS**  trans78.999.7169.8-48.4-159.5-44.500117.4
678I47.1Very low42.6Very low172 Ų172140.8 Ų140.888%0.88281%0.808SS**  trans-137117140.1-60.8-176.1000107.4
679D39Very low42.5Very low163 Ų163145 Ų14587%0.87281%0.813SS**  trans-82.2141.5165.8-102.3-48.9000110.3
680G45.1Very low42.7Very low72 Ų72145.2 Ų145.274%0.74281%0.813SS**  trans-125.172.5-169.800000114.6I682G680-I682 PolarHBondContact O-N 3.25Å
681C39.5Very low42.6Very low124 Ų124144.5 Ų144.584%0.83880%0.804SS**  trans-76119.8179.3-63.90000113.1
682I46.8Very low42.6Very low147 Ų147146.5 Ų146.575%0.75480%0.802SS**  trans-131.1100.7169.1-59.7-173.8000112.3G680G680-I682 PolarHBondContact O-N 3.25Å
683R44.6Very low42.5Very low235 Ų235147.9 Ų147.989%0.88780%0.8SS**  trans60.8108.2145.5-58.9171.8-175.8-104.2-2.5120.3
684Q34.9Very low42.3Very low191 Ų191152.9 Ų152.989%0.89381%0.805SS**  trans-96.7154.1135-72.8-173.8-16.100110.2
685P60.9Low42.4Very low127 Ų127151.9 Ų151.983%0.82581%0.805SS**  trans-102.4149.6157.536.1-28.7000111.7
686S48.1Very low42.4Very low110 Ų110151.3 Ų151.377%0.76981%0.806SS**  trans-105.3147.7-171.550.60000115.5
687I38.8Very low42.5Very low143 Ų143147.7 Ų147.773%0.73381%0.807SS**  trans-4.7137.5149.6-52.8157.8000116.5L689I687-L689 HydrophobicContact CG2-CG 4.41Å
688P45.4Very low42.7Very low126 Ų126150.3 Ų150.382%0.81881%0.807SS**  -119.7145.5126.535.1-31.7000113
689L39.7Very low43.1Very low159 Ų159150.1 Ų150.183%0.83281%0.808SS**  trans-77.8152.1171.6-66.4159.1000110.7I687I687-L689 HydrophobicContact CG2-CG 4.41Å
690L44.8Very low43.9Very low169 Ų169146.7 Ų146.789%0.88579%0.794SS**  trans-162.3168.2134.4-110.3171.1000113
691L40.2Very low44Very low136 Ų136150.6 Ų150.671%0.71280%0.798SS**  trans-79.3160.5-161-98.960.4000116.3
692N39.2Very low44.3Very low128 Ų128149.1 Ų149.168%0.68480%0.795SS**  trans91.1132136.6-86.1-15000123
693Q40.1Very low44.2Very low160 Ų160151.4 Ų151.475%0.74881%0.805SS**  trans91.2121.9135.2-76.9177.9-5.100122.6
694Y36Very low44.1Very low205 Ų205142.9 Ų142.980%0.80479%0.79SS**  trans67.982.7146.9-79.5-90.3000122.7
695N40.6Very low44.9Very low144 Ų144144.6 Ų144.677%0.7779%0.79SS**  38.1131.5108.5-87.4-1.1000122.7
696S39.7Very low44.2Very low112 Ų112147.3 Ų147.378%0.78379%0.789SS**  trans87.495.8131.5-61.90000121.5
697A42.1Very low43.7Very low102 Ų102148.4 Ų148.484%0.84379%0.791SS**  trans-160.8151.4132.800000111.7
698R45.1Very low43.8Very low231 Ų231150.8 Ų150.887%0.87280%0.797SS**  cis-167.1112.1-35-161.1179.5-165.3174.43.7109.4
699D54.2Low43.6Very low168 Ų168151.3 Ų151.390%0.89880%0.798SS**  trans-126.7123.3166.6-101.4-33.5000109.2
700P55.5Low43.6Very low91 Ų91147.3 Ų147.359%0.59180%0.795SS**  trans-105.9151.7-174.137.6-32.5000115.1
701N48.4Very low43.6Very low154 Ų154144.2 Ų144.282%0.82479%0.787SS**  trans67.2101.7165.5-47.1-22.7000115.8
702A46.1Very low43.5Very low94 Ų94143.3 Ų143.378%0.77779%0.792SS**  cis6997.3600000118.3
703M43.7Very low43.6Very low195 Ų195141.1 Ų141.196%0.96180%0.8SS**  trans-167.3138.2142-100.9-160.2-68.600110.3
704G41.8Very low43.9Very low56 Ų56139.5 Ų139.558%0.57780%0.801SS**  cis148.875.7-17.300000117.4
705Y52.6Low44.4Very low226 Ų226137.4 Ų137.489%0.88680%0.804SS**  trans-140.796.4162.2-71.1-76.4000109.8
706K45.5Very low44.4Very low185 Ų185141.6 Ų141.680%0.80481%0.809SS**  69.184.884.5-79.6-169171179.40115.4
707T37.9Very low44.6Very low132 Ų132141 Ų14181%0.8180%0.802SS**  trans-73.5160.914432.40000111
708F42.3Very low44.8Very low194 Ų194141.6 Ų141.685%0.85180%0.796SS**  trans-132.8134.1162.1-120.7-81.2000108.7
709T40.7Very low44.6Very low137 Ų137137.8 Ų137.884%0.8479%0.788SS**  trans-135.3148.4176.346.20000110.2
710G40.2Very low44Very low75 Ų75139.2 Ų139.277%0.77378%0.782SS**  trans157.6135.6174.400000111.2
711S43.5Very low43.4Very low104 Ų104142.1 Ų142.173%0.72779%0.788SS**  cis171.2142.2-27.4168.40000104.5
712S39.3Very low43Very low117 Ų117140.1 Ų140.182%0.81878%0.781SS**  trans50.6114.4153.755.90000119.9
713G40.8Very low42.8Very low82 Ų82141.8 Ų141.885%0.84578%0.781SS**  trans-165.483.4169.200000112.9
714T46.4Very low42.8Very low125 Ų125138.5 Ų138.577%0.76778%0.778SS**  trans-58.5136.5-177.247.50000115.2
715N46.9Very low42.7Very low162 Ų162140.3 Ų140.387%0.86679%0.788SS**  179.4163112.7-90.9-37.2000115.6
716R39.8Very low42.6Very low231 Ų231134.5 Ų134.587%0.87278%0.778SS**  trans-109.1-175.4175.7-116.6-176.4178.2-175.7-0.2108.4
717P44.6Very low42.6Very low100 Ų100135.5 Ų135.565%0.64978%0.782SS**  cis-142.4165.29.543.1-23.5000119.1
718T45Very low42.7Very low114 Ų114135.9 Ų135.970%0.69978%0.779SS**  trans55.8128.4137.358.20000126.7
719H42.3Very low43.4Very low152 Ų152132 Ų13270%0.70477%0.774SS**  105.6150.7124.5-106.7-96.9000123.6
720Y41.8Very low43.5Very low198 Ų198133.3 Ų133.378%0.77678%0.775SS**  trans70.5148.7176.7-57.3-83.3000117.9
721Q41.8Very low43.7Very low152 Ų152134 Ų13471%0.7177%0.772SS**  cis-167.5174.1-43.2-132.6179.3-8.500109.9
722T40.5Very low43.7Very low111 Ų111133.2 Ų133.268%0.68177%0.772SS**  trans65.799.2155.936.20000122.3
723T40.6Very low44.1Very low129 Ų129139 Ų13979%0.79178%0.778SS**  53.5117.5121.757.60000122.7
724S44.1Very low44.4Very low126 Ų126143.7 Ų143.788%0.88178%0.778SS**  -171.9169.2105.252.40000112.1
725A39.5Very low44.9Very low95 Ų95143.8 Ų143.879%0.78578%0.781SS**  trans-148.7-176.3-18000000107.9
726P50.7Low45.2Very low104 Ų104142.8 Ų142.868%0.67578%0.781SS**  cis-130.9-173.3-543-27000113.5
727F45.3Very low45.4Very low205 Ų205136.4 Ų136.490%0.89978%0.778SS**  172.7157.4125.8-105.9-77.6000111.7
728N40.2Very low46.2Very low141 Ų141139.1 Ų139.175%0.75479%0.785SS**  trans-160144.3-179-177.336.6000111.2
729P56.9Low46.5Very low113 Ų113139.1 Ų139.173%0.73479%0.787SS**  trans-125.4146.8165.337.1-24.1000116.2
730L44.3Very low46.8Very low164 Ų164138.3 Ų138.386%0.85980%0.795SS**  trans-50.1170.6158.7-86.965.9000113.3
731A43.3Very low46.9Very low88 Ų88132.2 Ų132.273%0.72779%0.793SS**  cis-179.4-174.5-11.300000107.5
732A43.2Very low47.2Very low88 Ų88133.2 Ų133.273%0.72780%0.802SS**  -172.1156-52.300000107.4
733Y47.9Very low47.5Very low239 Ų239133.4 Ų133.494%0.93781%0.805SS**  trans-152.1137.6174.3-112-81.4000112.2
734Q47.1Very low48Very low180 Ų180132.6 Ų132.684%0.84180%0.802SS**  trans-145.9137.5170.6-120.2-172.7-3.400108.9
735P56.8Low48Very low128 Ų128137.5 Ų137.583%0.83180%0.803SS**PPolyproline II helixtrans-86.9136.8173.933.3-32.1000111.7
736T52.7Low48.2Very low141 Ų141141.2 Ų141.287%0.86581%0.806SS**PPolyproline II helixtrans-83.5151.9-179.8-7.20000112.8
737A45.5Very low47.8Very low97 Ų97139.3 Ų139.380%0.80281%0.805SS**PPolyproline II helixtrans-79.3157.8175.700000113
738I60.9Low47.7Very low157 Ų157136.7 Ų136.781%0.80580%0.8SS**  trans-118.4134.9177.1-61.1177.2000108.7
739P52Low47.7Very low113 Ų113139.8 Ų139.873%0.73480%0.803SS**  trans-79.5160-179.332.8-36000113.3
740P47.3Very low46.9Very low135 Ų135140.7 Ų140.788%0.87780%0.801SS**  trans-92.2151.3-17335.8-35.5000114.6
741G44.8Very low46.7Very low71 Ų71141 Ų14173%0.73280%0.798SS**  trans133101.5155.300000116
742L47.1Very low46.7Very low172 Ų172146 Ų14690%0.90181%0.809SS**  trans168.2116.3143.2-95163.1000111.1
743P46.9Very low46.5Very low116 Ų116148.3 Ų148.375%0.75381%0.809SS**  trans-107.3-173.4165.641.4-33.3000110.9
744P51.9Low46.5Very low112 Ų112144.9 Ų144.973%0.72781%0.806SS**  cis-121.6179.3-29.438.7-25.9000111.9
745Y43.6Very low46.1Very low229 Ų229143.9 Ų143.990%0.89881%0.806SS**  -162.8163.6129.5-134.4-102.6000113.5
746M42.8Very low45.5Very low172 Ų172142.1 Ų142.185%0.84780%0.797SS**  trans-96.7144.8-179.2-78.9-176.863.700114.1
747G42.5Very low45.1Very low64 Ų64143.7 Ų143.766%0.6680%0.8SS**  86.9134.112900000118.9
748L43Very low45Very low151 Ų151142.3 Ų142.379%0.79179%0.794SS**  165.1124.5108.6-83.2169.1000110
749Y41.8Very low44.2Very low206 Ų206145.5 Ų145.581%0.80880%0.798SS**  trans56.3150.9148.5-73.8-110000120.6
750D38.6Very low44.1Very low132 Ų132150 Ų15071%0.70681%0.806SS**  cis-171.1-174.2-25.2-163-1.9000107.6
751Q40.2Very low44.3Very low170 Ų170148.9 Ų148.979%0.79480%0.799SS**  trans68.778.1146.1-163.8177.5110.400117.5
752M43.3Very low44.1Very low192 Ų192149.3 Ų149.395%0.94680%0.795SS**  trans-130.4141.4143.2-88.1-162.8-78.400111.4
753N39.7Very low44.4Very low138 Ų138147 Ų14774%0.73879%0.791SS**  trans-107.2124.6-164.9177.83.8000110.7N755N753-N755 PolarHBondContact OD1-N 3.28Å
754L47Very low44.2Very low166 Ų166148.3 Ų148.387%0.86979%0.791SS**  trans-127.944.7-176.1-84.9168.3000113.7S756L754-S756 PolarHBondContact O-N 3.43Å
755N40.3Very low44Very low159 Ų159150 Ų15085%0.8579%0.794SS**  trans-82.475.1164.7-88.2-17.6000111.9N753N753-N755 PolarHBondContact OD1-N 3.28Å
756S44.5Very low44.1Very low92 Ų92144.4 Ų144.464%0.64378%0.783SS**  trans-168.7146.4159-161.50000113.1L754L754-S756 PolarHBondContact O-N 3.43Å
757L43.7Very low44.1Very low174 Ų174144.1 Ų144.191%0.91178%0.778SS**  trans65.3133.9171.4-58.3138.8000115.9
758G43.4Very low44Very low67 Ų67148.1 Ų148.169%0.69178%0.784SS**  cis-163.4158-3.400000112.1
759Y43.1Very low43.9Very low225 Ų225147 Ų14788%0.88278%0.778SS**  trans-76.6143.5-173.2-88.9-114.9000113.9
760F49.6Very low43.9Very low208 Ų208141.9 Ų141.991%0.91278%0.779SS**  trans-132.5127.5152.8-89.2-82.2000109.3
761P52.1Low44.2Very low110 Ų110144.4 Ų144.471%0.71478%0.784SS**  trans-100.4124.6-171.834.9-31.8000114.8
762A42Very low44.4Very low80 Ų80141.2 Ų141.266%0.66177%0.772SS**  trans54.5157.3147.200000120.2
763P53.1Low44.6Very low125 Ų125139.4 Ų139.481%0.81277%0.765SS**  -125.5145.284.436.7-31.6000114.1
764N43.1Very low44.9Very low142 Ų142139.3 Ų139.376%0.75977%0.765SS**  trans-78.6119.8173.5-75.4-36.9000111V766N764-V766 HydrophobicContact CB-CG2 4.32Å
765L46.6Very low44.6Very low148 Ų148136 Ų13678%0.77576%0.755SS**  trans-97.386.3164.2-76.8172.4000110F767L765-F767 HydrophobicContact CB-CD2 4.5Å; L765-F767 HydrophobicContact CB-CE2 4.47Å; L765-F767 HydrophobicContact CD2-CE2 4.43Å; L765-F767 PolarHBondContact O-N 3.44Å
766V46.2Very low44.6Very low111 Ų111136.7 Ų136.767%0.67376%0.758SS**  trans-82.496.9174.2-179.20000109.7N764 N768N764-V766 HydrophobicContact CB-CG2 4.32Å; V766-N768 HydrophobicContact CG1-CB 4.28Å; V766-N768 PolarHBondContact O-N 2.76Å
767F43.1Very low44.6Very low167 Ų167136.7 Ų136.773%0.73276%0.758SS**  trans-88.976.1167.8-82.8-77.5000111.2L765 N769L765-F767 HydrophobicContact CB-CD2 4.5Å; L765-F767 HydrophobicContact CB-CE2 4.47Å; L765-F767 HydrophobicContact CD2-CE2 4.43Å; L765-F767 PolarHBondContact O-N 3.44Å; F767-N769 PolarHBondContact O-N 2.85Å; F767-N769 VanDerWaalsContact O-N 3.1Å
768N40.4Very low44.7Very low147 Ų147136.9 Ų136.979%0.78675%0.754SS**  trans-7884.4167.4-98.8-6.4000110.2V766V766-N768 HydrophobicContact CG1-CB 4.28Å; V766-N768 PolarHBondContact O-N 2.76Å
769N40.1Very low44.9Very low127 Ų127141.4 Ų141.468%0.67976%0.762SS**  trans-113.373.4168.3-86.2-13.3000110.3F767 F771F767-N769 PolarHBondContact O-N 2.85Å; F767-N769 VanDerWaalsContact O-N 3.1Å; N769-F771 PolarHBondContact O-N 2.73Å
770A41.5Very low45.1Very low100 Ų100135.7 Ų135.783%0.82675%0.752SS**  trans-77101.916500000109D772A770-D772 PolarHBondContact O-N 3.49Å; A770-D772 VanDerWaalsContact O-N 3.13Å
771F45.2Very low44.7Very low185 Ų185132.3 Ų132.381%0.81175%0.751SS**  trans-74.295.8165.3-88.8-87.4000108.9N769N769-F771 PolarHBondContact O-N 2.73Å
772D43.7Very low44.2Very low102 Ų102131.9 Ų131.955%0.54575%0.751SS.*  trans-72.2125.9164175.727.9000109.5A770 N774 S775A770-D772 PolarHBondContact O-N 3.49Å; A770-D772 VanDerWaalsContact O-N 3.13Å; D772-N774 PolarHBondContact OD1-N 3.21Å; D772-S775 PolarHBondContact OD2-OG 3.38Å
773I48.1Very low44.3Very low154 Ų154137.4 Ų137.479%0.7977%0.765SS**SBendtrans-97-7.5-175.5-61.2176.7000111.1
774N46.8Very low43.7Very low137 Ų137136.1 Ų136.173%0.73377%0.765SS**SBendtrans-94.64.4-172.4-69.3-59000115.7D772D772-N774 PolarHBondContact OD1-N 3.21Å
775S39.2Very low43.5Very low95 Ų95133.9 Ų133.966%0.66477%0.766SS**  trans-108.950-171.3-68.10000114.5D772D772-S775 PolarHBondContact OD2-OG 3.38Å
776L41Very low43.1Very low174 Ų174132.9 Ų132.991%0.91177%0.771SS**  trans-139.450175.3-153.479.2000114.2
777S43.8Very low42.8Very low92 Ų92133.6 Ų133.664%0.64378%0.781SS**  trans-144.150.9-174.355.30000114.3
778Q45.8Very low42.7Very low178 Ų178133.2 Ų133.283%0.83279%0.786SS**  trans-161.3160.4167.9-110.7140.9104.200113.4
779L47.7Very low42.7Very low163 Ų163132.6 Ų132.685%0.85379%0.788SS**  trans74.1145.8-176.8-49.7176.4000115
780P46.8Very low42.7Very low104 Ų104132.8 Ų132.868%0.67580%0.799SS**  -129.4151.8-6931.2-14.9000114S782P780-S782 PolarHBondContact O-N 2.84Å
781P42.1Very low42.9Very low138 Ų138131.6 Ų131.690%0.89680%0.797SS**  trans-86.496.1-176.533.6-33.9000113.1
782S42.6Very low42.9Very low101 Ų101133.1 Ų133.171%0.70680%0.797SS**  trans-155.896.8170.162.70000115.2P780P780-S782 PolarHBondContact O-N 2.84Å
783M43Very low42.8Very low196 Ų196136.1 Ų136.197%0.96681%0.808SS**  trans-163.5119.9145.7-104.5-69.6158.100107.5
784A39.8Very low43.2Very low97 Ų97138.1 Ų138.180%0.80282%0.816SS**  trans-93.8162.4-172.700000112.5
785A40.1Very low43.1Very low96 Ų96135.5 Ų135.579%0.79382%0.822SS**  trans-60139-176.500000114
786S37.1Very low43.7Very low126 Ų126134.8 Ų134.888%0.88183%0.829SS**  trans-179109.4132.7-81.90000112.7
787S40Very low44.1Very low126 Ų126134.5 Ų134.588%0.88182%0.823SS**  trans-154.7140.9146.556.20000110.1
788L41Very low44.3Very low160 Ų160142 Ų14284%0.83884%0.839SS**  trans-140.3149.8-176.4-104170.6000109
789T41.4Very low44.3Very low133 Ų133142.5 Ų142.582%0.81684%0.838SS**  trans67.7145.6160.958.10000121.1
790S39.8Very low44.1Very low131 Ų131139.1 Ų139.192%0.91683%0.834SS**  trans90.3122.2156.8-151.80000118.5
791G46Very low44Very low75 Ų75139.8 Ų139.877%0.77384%0.841SS**  trans170.563.7-177.300000115.3
792R45.2Very low43.9Very low217 Ų217142.4 Ų142.482%0.81984%0.844SS**  trans-3.4126.4164.7-74.4-173.3158153-3.5119.5
793E42.3Very low44.1Very low165 Ų165141.2 Ų141.277%0.77185%0.847SS**  81.591.667.3-74.1-177.4140.700115.8
794M54.9Low44Very low197 Ų197143.3 Ų143.397%0.9784%0.844SS**  trans-149.1141.3146.3-73.5-72.4-94.900105.3
795G44.8Very low44.6Very low82 Ų82146.7 Ų146.785%0.84585%0.847SS**  cis152.876.1-100000110.6
796G52.8Low44.5Very low79 Ų79148.9 Ų148.981%0.81485%0.845SS**  trans-174.3122.1-179.200000113.6
797E48.2Very low44.8Very low169 Ų169147.5 Ų147.579%0.7984%0.835SS**  trans-111.1134.8-175-56-173.9115.600112.1
798Y49.5Very low44.9Very low248 Ų248148.2 Ų148.297%0.97383%0.829SS**  trans-147.6143.9146.4-88.8-71.2000109.1
799K46Very low44.9Very low190 Ų190147.7 Ų147.783%0.82683%0.827SS**  trans-153.8151.6-156.9-164.6176.2-172.5173.30111.9
800A43.7Very low44.9Very low92 Ų92150 Ų15076%0.7683%0.834SS**  trans70.6147.2171.800000116.3
801S44.3Very low45Very low117 Ų117148.7 Ų148.782%0.81883%0.831SS**  cis-158.9172.8-11.640.70000112.4
802M39.4Very low44.9Very low194 Ų194148.4 Ų148.496%0.95683%0.828SS**  trans-51.7147.8176.2-56.4176.8-174.500114.1
803G47.2Very low44.6Very low75 Ų75146.6 Ų146.677%0.77383%0.831SS**  trans-137.4106.4160.400000111
804R41.7Very low44.6Very low241 Ų241144.1 Ų144.191%0.90983%0.831SS**  trans-87.4134.4159.3-99.9-175.1171.8-178.7-3.9107.4
805I52Low43.9Very low167 Ų167142.2 Ų142.286%0.85683%0.825SS**  trans-106.6119172.6-60.1176.6000108
806D37.8Very low43.8Very low143 Ų143145.2 Ų145.277%0.76583%0.827SS**  trans-153.6157.9169.3-107.2-44000108.3
807S42.3Very low43.1Very low96 Ų96146.1 Ų146.167%0.67182%0.821SS**  trans77.5108.2166.4760000120.4
808N43.3Very low42.8Very low141 Ų141146 Ų14675%0.75483%0.825SS**  100.9144119.7-66.9-3.4000123.2
809N40Very low42.3Very low149 Ų149138.7 Ų138.780%0.79782%0.815SS**  trans79.599.4155.2-59.6-21.9000120.2
810L42.1Very low42.2Very low183 Ų183133.5 Ų133.596%0.95881%0.808SS**  -148.8163.3103.9-149.263000110.8
811A41.5Very low42.3Very low102 Ų102135.7 Ų135.784%0.84381%0.812SS**  trans-135.5157.4-173.600000112.7
812G43.7Very low42.7Very low69 Ų69135 Ų13571%0.71180%0.804SS**  trans141.491.7-179.800000110.1
813M40.2Very low42.9Very low180 Ų180132.1 Ų132.189%0.88780%0.798SS**  87133.665.4-76.2-169.168.100115.2
814S41.9Very low42.7Very low112 Ų112133 Ų13378%0.78380%0.797SS**  trans79.9139.616375.40000119.4
815N39.6Very low42.8Very low157 Ų157125.2 Ų125.284%0.8479%0.785SS**  trans-110.6145.4172.6-38.9-78.9000108.9
816V42.4Very low42.5Very low146 Ų146126.9 Ų126.989%0.88579%0.789SS**  trans-138.6154156.7-175.70000108.2
817S38.6Very low42.4Very low98 Ų98123.6 Ų123.669%0.68579%0.789SS**  trans-125.5175.5-172.8-53.30000112.7
818L40.9Very low42.5Very low167 Ų167125 Ų12587%0.87480%0.795SS**  trans94.1139149.2-116.474.8000120.7
819A40.7Very low43.1Very low93 Ų93123.4 Ų123.477%0.76979%0.793SS**  trans77.1151.1147.200000120.7
820A43.2Very low43.3Very low81 Ų81125.5 Ų125.567%0.66980%0.798SS**  cis-174.9-166-2400000110.5
821V45.2Very low43.3Very low139 Ų139120.7 Ų120.784%0.84278%0.784SS**  trans76.7148.1156.4-860000119.8
822P52.6Low43.4Very low101 Ų101120.7 Ų120.766%0.65678%0.784SS**  -150.8-152.4-119.643.8-19.6000117.3
823T43.3Very low43.3Very low135 Ų135121.6 Ų121.683%0.82879%0.785SS**  trans73.2148155.838.60000119.1
824A43.2Very low43.4Very low92 Ų92123 Ų12376%0.7679%0.787SS**  cis-163.3-164-12.800000108.5
825A43.5Very low43.5Very low79 Ų79122.1 Ų122.165%0.65379%0.786SS**  cis-162.7162.21.300000111.6
826Q46Very low43.5Very low202 Ų202117.9 Ų117.994%0.94478%0.78SS**  trans62.1157.1161.1-58.8170.24.800117.6
827G37.4Very low43.5Very low73 Ų73115.9 Ų115.975%0.75377%0.772SS**  cis179134.4-9.300000112
828P44.3Very low43.5Very low125 Ų125118.2 Ų118.281%0.81278%0.782SS**  trans-120.3-163-17742.7-32000113.6
829P54.4Low43.5Very low108 Ų108113.8 Ų113.870%0.70178%0.777SS**  cis-127.2-178.9-48.335.6-18.5000112.9
830H44.8Very low43.5Very low194 Ų194115.7 Ų115.790%0.89878%0.779SS**  trans171.9165153.6-89.4-62.6000109.4
831A41.5Very low43.3Very low81 Ų81116.5 Ų116.567%0.66978%0.78SS**  cis-170.4150.4-35.600000111.5
832A43.3Very low43Very low103 Ų103117 Ų11785%0.85178%0.778SS**  trans60.1177.5162.600000118.8
833A41.6Very low42.4Very low88 Ų88116.7 Ų116.773%0.72778%0.784SS**  -169.9140.7-56.900000110.1
834F43.3Very low42.3Very low209 Ų209115 Ų11592%0.91778%0.783SS**  trans167.7135.7156.4-112.9-93.1000106.5
835A43.3Very low42.1Very low94 Ų94114.9 Ų114.978%0.77778%0.783SS**  cis105.9113.313.700000114.6
836G41Very low42Very low68 Ų68119.2 Ų119.270%0.70179%0.789SS**  trans147.185.6178.700000112.3
837S40.9Very low41.7Very low104 Ų104117.6 Ų117.673%0.72778%0.782SS**  75.285.487.469.30000114.2
838T39.7Very low41.8Very low146 Ų146118.8 Ų118.890%0.89678%0.784SS**  70.3120.393.457.40000116.8
839G40Very low41.5Very low74 Ų74117.5 Ų117.576%0.76379%0.785SS**  trans-175.1131.3163.600000111
840T40.2Very low40.7Very low133 Ų133116.8 Ų116.882%0.81679%0.788SS**  trans-139.3150.3-171.6530000114.3
841S39.6Very low40.6Very low98 Ų98115.4 Ų115.469%0.68579%0.786SS**  trans79.9142.8145.371.20000121.4
842N39.8Very low40.8Very low149 Ų149120.3 Ų120.380%0.79780%0.797SS**  trans94.591.9152.4-60.5-15.7000121.2
843A40Very low40.9Very low96 Ų96118.7 Ų118.779%0.79379%0.791SS**  80.2126.211000000122.7
844A40Very low41.1Very low98 Ų98123.5 Ų123.581%0.8180%0.803SS**  trans83.6114136.900000122.1
845A40.1Very low41.1Very low91 Ų91117.3 Ų117.375%0.75280%0.798SS**  trans87123.4131.900000122.5
846Q40.2Very low41.4Very low169 Ų169118.5 Ų118.579%0.7980%0.798SS**  trans75.4115.1141.7-71.7175.7-50.600122.8
847Q40.8Very low41.4Very low169 Ų169124.2 Ų124.279%0.7980%0.804SS**  trans63.893.5132.1-67.7-179.7-44.600121.3
848A39.1Very low42.1Very low97 Ų97125.2 Ų125.280%0.80281%0.808SS**  60.8124.1108.700000122.3
849A37.9Very low42.8Very low99 Ų99122.7 Ų122.782%0.81879%0.794SS**  trans110144.9131.600000119.9
850A38.3Very low42.9Very low92 Ų92128.5 Ų128.576%0.7680%0.798SS**  trans63.9123.8168.800000119.4
851L41.2Very low43Very low165 Ų165126.8 Ų126.886%0.86479%0.792SS**  -173.6149.1105-103.8162.2000114.4
852M47.2Very low42.8Very low185 Ų185128.7 Ų128.791%0.91180%0.799SS**  trans69.7134.6168.6-45.8-154.5-66.800118.7
853G44.4Very low42.7Very low69 Ų69130.5 Ų130.571%0.71181%0.805SS**  cis164.4168-13.300000116.3
854L46.6Very low42.6Very low189 Ų189131.5 Ų131.599%0.9980%0.801SS**  trans77.7131159.3-52175.4000121.2
855G43.3Very low42.6Very low78 Ų78136 Ų13680%0.80481%0.806SS**  trans125.4111.2147.900000118.2
856P50.1Low42.5Very low119 Ų119138.5 Ų138.577%0.77381%0.806SS**  trans-123.8157.7-178.340.9-29.5000117.5
857F41Very low42.9Very low189 Ų189140 Ų14083%0.82981%0.812SS**  trans28.9140144.8-82-75.9000122.6
858P53.9Low42.8Very low124 Ų124139.4 Ų139.481%0.80581%0.81SS**  -145.4165.684.840.5-25.7000117
859P54.6Low43.5Very low93 Ų93140.5 Ų140.560%0.60481%0.808SS**  trans-101.7161.817039-33.2000113.6
860F42.8Very low43.6Very low196 Ų196147.1 Ų147.186%0.8681%0.814SS**  173.4148.2128.3-101.1-65.9000115.2
861S41.4Very low43.8Very low97 Ų97147.3 Ų147.368%0.67882%0.815SS**  trans63105.4146-610000123.7
862V35.9Very low44Very low139 Ų139149 Ų14984%0.84282%0.816SS**  40.4114.9117.2-176.80000119.4
863M38.7Very low44.2Very low186 Ų186145.6 Ų145.692%0.91681%0.808SS**  -154.5158.6122.7-138.1175.1177.700112.7
864T37.4Very low44.5Very low117 Ų117147.8 Ų147.872%0.71881%0.81SS**  trans-99.3152.1-174.444.70000113.2
865Q40.3Very low44.5Very low194 Ų194149.1 Ų149.191%0.90781%0.808SS**  -168153.2124.7-106.7174.32900112.6
866L37.8Very low44.6Very low143 Ų143151.4 Ų151.475%0.74981%0.806SS**  trans-103.1150.5177.5-65.8110.3000111.4
867Q47.5Very low44Very low199 Ų199151.2 Ų151.293%0.9381%0.808SS**  trans-137125.5150-72.3-169.5-16.400110.3
868H39.4Very low44Very low158 Ų158150.4 Ų150.473%0.73181%0.811SS**  trans-87.7173.8164.5-65.7-92000109.5
869P53.4Low43.3Very low119 Ų119152 Ų15277%0.77381%0.808SS**  -145.6133.69135.3-18.9000115.4
870Y40.2Very low42.5Very low238 Ų238154.9 Ų154.993%0.93382%0.815SS**  trans-136.6125144.8-94.1-76.7000107.3
871A43Very low42.5Very low96 Ų96150.9 Ų150.979%0.79381%0.809SS**  trans-122.8124.3-174.600000111
872F44.3Very low42.2Very low201 Ų201151.9 Ų151.988%0.88282%0.815SS**  trans-74.5163.8162-82.2-95.3000110.4
873P53.4Low42.5Very low114 Ų114154.1 Ų154.174%0.7482%0.819SS**  -124.3154.9121.635.3-31.4000112.8
874P49.8Very low42.5Very low115 Ų115149 Ų14975%0.74781%0.806SS**PPolyproline II helixtrans-86.8167.6-174.235.7-36.9000113.9
875F46.4Very low42.4Very low216 Ų216150.7 Ų150.795%0.94781%0.811SS**PPolyproline II helixtrans-61.6137.8169.1-94.8-98.8000111.8
876V46.2Very low42.4Very low127 Ų127148.5 Ų148.577%0.7781%0.811SS**PPolyproline II helixtrans-86.8126.6-180174.60000110.7L878V876-L878 PolarHBondContact O-N 2.91Å
877S37.1Very low42.2Very low115 Ų115146.1 Ų146.180%0.80481%0.812SS**PPolyproline II helixtrans-65.5125.2168.9-51.80000111
878L41Very low41.8Very low172 Ų172141.5 Ų141.590%0.90181%0.808SS**  trans-121.4133.1162.9-87.1169.5000110V876V876-L878 PolarHBondContact O-N 2.91Å
879Q39.2Very low41.6Very low158 Ų158139.5 Ų139.574%0.73881%0.812SS**  trans-126165.4-170.6-179-179.6-25.100108.8
880M38.3Very low40.8Very low152 Ų152139.8 Ų139.875%0.74981%0.811SS**  trans82.5154.5173.8-50.2-61.2-168.100115.5
881P42.8Very low40.9Very low113 Ų113135.5 Ų135.573%0.73481%0.81SS**  cis-126.4168.1-2530-12.2000113
882S35.2Very low40.6Very low117 Ų117135.4 Ų135.482%0.81881%0.809SS**  trans-77.5143.916052.20000110.8
883M40.9Very low40.5Very low186 Ų186132.9 Ų132.992%0.91681%0.81SS**  trans-134.7148.9155.5-75.3-136.274.400109
884A39.6Very low39.7Very low78 Ų78133 Ų13365%0.64581%0.814SS**  trans-116.1167-17000000112.2
885N35.6Very low39.4Very low153 Ų153134.8 Ų134.882%0.81882%0.822SS**  trans57.1115.5156.7-58.9-15000118.6
886T38.7Very low39Very low148 Ų148128.7 Ų128.791%0.90881%0.811SS**  -144.6148.1121.1-68.20000107.6
887A34.4Very low38.7Very low93 Ų93128.6 Ų128.677%0.76981%0.814SS**  trans-122.8-175.4-171.100000112.2
888A38.7Very low39Very low103 Ų103132.9 Ų132.985%0.85182%0.818SS**  trans75.7152-177.200000115.2
889S36.4Very low39.1Very low116 Ų116130.8 Ų130.881%0.81181%0.814SS**  cis-138163.54.2-158.40000113.4
890T36.6Very low39.1Very low125 Ų125127 Ų12777%0.76782%0.818SS**  trans-85.8145.7-177.845.40000113.7
891V42.1Very low39.2Very low148 Ų148128 Ų12890%0.89783%0.826SS**  trans-136.3139.4141.5-179.70000107
892A36.7Very low39.1Very low94 Ų94127.3 Ų127.378%0.77782%0.824SS**  trans-133.7141.8-177.800000111.6
893T42.3Very low39.6Very low147 Ų147127.5 Ų127.590%0.90282%0.822SS**  trans-142.2134.9166.435.60000108.9
894S36.2Very low39.5Very low117 Ų117128.2 Ų128.282%0.81882%0.82SS**  trans-111.3146.3-169.648.70000112.9
895V42.1Very low39.6Very low153 Ų153129 Ų12993%0.92782%0.821SS**  trans-139.1145.7157.2-177.90000108.7
896A39.5Very low39.8Very low87 Ų87130.3 Ų130.372%0.71982%0.822SS**  trans-72.9159.4-164.600000116.3
897P38.3Very low39.9Very low126 Ų126128.2 Ų128.282%0.81882%0.82SS**  trans-81.8170.2174.135.5-37.3000113.5
898K44.1Very low40Very low204 Ų204131.1 Ų131.189%0.88782%0.82SS**  trans-123.6146165.8-98.7-178.7174.2177.40111.1
899P42.8Very low40Very low128 Ų128136.7 Ų136.783%0.83182%0.82SS**  trans-87.5162.1-170.935.8-36.6000113.7
900G39.9Very low40.1Very low80 Ų80137.1 Ų137.183%0.82581%0.813SS**  trans-102.6-172.9178.800000114.8
901L41.1Very low40.1Very low173 Ų173136.4 Ų136.491%0.90681%0.811SS**  trans-132.4156.9175.2-103.1163.5000111.2
902S40.3Very low39.8Very low98 Ų98133.8 Ų133.869%0.68580%0.804SS**  trans-67.7149.5-159.853.20000118.1
903P45Very low40.1Very low120 Ų120135.3 Ų135.378%0.77980%0.804SS**  trans-107.9132.1144.135-26.5000112.2
904F39.2Very low40Very low201 Ų201138.5 Ų138.588%0.88280%0.801SS**  trans-158.2131172.7-125.3-108.1000106.1
905S41.9Very low40.1Very low95 Ų95140.1 Ų140.166%0.66480%0.801SS**  cis-146.8159.1-4.5-95.10000111.1
906Q39.3Very low40Very low180 Ų180139.6 Ų139.684%0.84179%0.793SS**  trans-81.1147.3166.7-70172.6-44.400111.3
907A40.5Very low40Very low104 Ų104142.8 Ų142.886%0.8680%0.797SS**  trans-134.2121.8154.100000107.9
908M37.2Very low40Very low155 Ų155145.6 Ų145.676%0.76480%0.804SS**  trans-102.9-178.8171.4-77.7-172.4168.400109.9
909Y37.5Very low39.6Very low219 Ų219139 Ų13986%0.85979%0.794SS**  trans75.9137.5-177-69.6-91.6000114.5
910N39.4Very low39.3Very low126 Ų126138 Ų13867%0.67480%0.797SS**  cis-151.9140.5-7.1-158.140.8000109.9
911P36Very low39.2Very low110 Ų110139.6 Ų139.671%0.71480%0.795SS**  trans-84153.7171.234-33.7000112.5
912A37.5Very low38.9Very low92 Ų92138.5 Ų138.576%0.7679%0.79SS**  trans63.8138.6177.200000117.4
913V43.1Very low38.9Very low127 Ų127140.3 Ų140.377%0.7780%0.801SS**  171.6133.6129.2151.60000109.9
914Y39.8Very low38.5Very low213 Ų213140.1 Ų140.184%0.83580%0.802SS**  trans59.6103.1174.2-75-61.5000120.4
915D37.2Very low38.4Very low152 Ų152142.4 Ų142.481%0.81381%0.805SS**  -49.6150.1129.6-53.7-98.4000111.7
916D39.8Very low38.2Very low142 Ų142141.2 Ų141.276%0.75981%0.808SS**  -161.6160.8129-136.5-27.3000114.1
917L41.2Very low38.2Very low154 Ų154143.8 Ų143.881%0.80681%0.812SS**  trans66.685.9160.9-61.4176.3000120.2
918L37.3Very low38.2Very low184 Ų184143.6 Ų143.696%0.96380%0.804SS**  trans-55.1152.2152.2-70.7145.8000114.4
919G36Very low38.5Very low66 Ų66139.3 Ų139.368%0.6880%0.799SS**  trans159.6115.7164.200000110.3
920A36.7Very low38.9Very low108 Ų108139.3 Ų139.389%0.89380%0.8SS**  55.9128.268.900000112.3
921S37.5Very low39.1Very low112 Ų112137.5 Ų137.578%0.78380%0.802SS**  cis-152.5179.22161.70000113.3
922D34.7Very low39.5Very low151 Ų151137.8 Ų137.881%0.80781%0.806SS**  trans-54.2148.2167.1-57-94000114
923C39.6Very low39.8Very low135 Ų135137.8 Ų137.891%0.91281%0.806SS**  trans-160.5134.4132.6-103.10000112.2
924S36.6Very low40.2Very low116 Ų116142.1 Ų142.181%0.81182%0.815SS**  trans-87.8177.6174.461.20000112.1
925R38.1Very low40.2Very low249 Ų249137 Ų13794%0.9481%0.81SS**  trans89.6101.5165.3-148.8179.5-150.9169.45.6115.7
926G36.5Very low40.8Very low70 Ų70136 Ų13672%0.72281%0.81SS**  trans-95.8-165177.800000114.9
927Y39.8Very low41.1Very low235 Ų235132.9 Ų132.992%0.92280%0.803SS**  trans-147.2134.9-176.9-126-99.4000114.5
928S41.4Very low41.6Very low99 Ų99132.8 Ų132.869%0.69281%0.809SS**  trans31.6140.3150.8-158.60000123.1
929G42.6Very low42.3Very low65 Ų65127.4 Ų127.467%0.6780%0.798SS**  trans-172.226.6172.900000123.1
930Y45.8Very low43Very low220 Ų220128 Ų12886%0.86380%0.804SS**  trans57.7153.6162.8-62.7-94.2000119.8
931A43.1Very low43.6Very low88 Ų88131 Ų13173%0.72780%0.802SS**  cis-169.6176.5-22.800000112.1
932S44.4Very low44Very low115 Ų115130.6 Ų130.680%0.80479%0.794SS**  trans91.561.1154.6-161.90000122.2
933A43.8Very low44.8Very low92 Ų92131.8 Ų131.876%0.7680%0.795SS**  31.3137.3121.900000123.4
934K51.4Low45Very low219 Ų219132.5 Ų132.595%0.95279%0.785SS**  -154.1167.6115-108.2166-173.9175.90111.9
935S41.3Very low45.4Very low105 Ų105133.5 Ų133.573%0.73478%0.776SS**  trans-114.6158.3-152.1166.80000115.3
936T49.9Very low45.7Very low132 Ų132128.9 Ų128.981%0.8177%0.765SS**  143.3140.8126.3-620000112.9
937A45.9Very low46Very low75 Ų75131.4 Ų131.462%0.6277%0.767SS**  cis-172.8172.9-28.100000110.1
938V51.8Low46.3Very low152 Ų152126.6 Ų126.692%0.92176%0.762SS**  trans70.1132.5165.8-1650000117.2
939G51.2Low46.4Very low72 Ų72126.6 Ų126.674%0.74277%0.768SS**  cis165.3138.8-13.100000115.9
940G50.5Low46.4Very low78 Ų78126.8 Ų126.880%0.80477%0.769SS**  trans87.7152.3163.600000118.2
941M50Low46.7Very low171 Ų171123 Ų12384%0.84277%0.769SS**  cis-153.3119.2-12.3-97.1-174.369.300113.4
942V46.8Very low46.8Very low103 Ų103127.2 Ų127.262%0.62477%0.774SS**  trans31.1119.7130.4-165.60000121.8
943H50.6Low46.8Very low176 Ų176130.3 Ų130.382%0.81578%0.775SS**  -163.5154.9113.4-108.578.8000115.6
944Q44.4Very low47.3Very low151 Ų151132.1 Ų132.171%0.70678%0.779SS**  trans-107.7-170.1177.6-55.5162.7-74.700109
945H44.4Very low47Very low137 Ų137125 Ų12563%0.63477%0.768SS**  cis-164.4-172.814-1424.6000107.4
946Q44.8Very low47Very low152 Ų152128.1 Ų128.171%0.7178%0.776SS**  cis-144.5-123.83.1-164162.556.700111.4
947T43Very low46.8Very low122 Ų122126.9 Ų126.975%0.74878%0.78SS**  trans-167.3167.9-164.81.50000112
948V45.9Very low46.9Very low134 Ų134127.3 Ų127.381%0.81279%0.791SS**  trans166.5117.4147.91490000106.4
949A44Very low46.5Very low100 Ų100128.7 Ų128.783%0.82679%0.787SS**  79.5136.653.800000113.6
950G41.5Very low46.4Very low68 Ų68135 Ų13570%0.70180%0.795SS**  cis176-150.6-0.700000111.9
951V53.1Low45.9Very low141 Ų141134.4 Ų134.486%0.85579%0.788SS**  trans79.3144.8168-172.40000117.3
952Q44.5Very low45.7Very low176 Ų176136.8 Ų136.882%0.82279%0.794SS**  -167.2152.5-50.6-136.2160.2-28.100110.9
953H44.6Very low45.5Very low181 Ų181135.5 Ų135.584%0.83880%0.802SS**  trans-95.7159.1168.6-75.9-89000111.9
954P53.6Low45.1Very low129 Ų129130.4 Ų130.484%0.83880%0.797SS**  -138.7-175.693.138.2-23.3000112.2
955G45.5Very low45.2Very low70 Ų70130.7 Ų130.772%0.72280%0.804SS**  cis170.8156.4-4.800000110.4
956D41.5Very low45.3Very low171 Ų171134.4 Ų134.491%0.91482%0.818SS**  trans-76.7155.5-165.5-58-89.1000117.8
957A44.2Very low45.6Very low106 Ų106133.4 Ų133.488%0.87682%0.822SS**  trans-174.4148135.400000113.4
958G48.7Very low46.2Very low83 Ų83134.6 Ų134.686%0.85682%0.822SS**  trans116.7104.5149.100000118.2
959Q44.2Very low47Very low181 Ų181134 Ų13485%0.84682%0.821SS**  trans-79.6141.7167.6-64.6175-14.800112.4
960K48.2Very low47.6Very low206 Ų206140.6 Ų140.690%0.89682%0.824SS**  174.3139.2111.3-93.9169.1-177179.50109.7
961G41Very low48Very low65 Ų65149 Ų14967%0.6784%0.835SS**  trans-115.2165.2179.800000112.9
962F44.5Very low48.2Very low220 Ų220151.8 Ų151.897%0.96584%0.836SS**  trans-164.6137.8152-111.4-72.2000110.6
963G43.3Very low48.5Very low77 Ų77158.2 Ų158.279%0.79485%0.854SS**  trans66.4119.814900000121.2
964G42.3Very low48.6Very low69 Ų69157.1 Ų157.171%0.71186%0.855SS**  114.7122.6124.400000119.7
965N45.7Very low48.4Very low157 Ų157158.6 Ų158.684%0.8486%0.856SS**  trans5899.8141.9-58.7-14.2000119.7V967N965-V967 PolarHBondContact O-N 3.45Å
966K46.6Very low48.5Very low215 Ų215163.5 Ų163.594%0.93586%0.864SS**  trans-65.1112.1160.9-68.4177.4179.2174.60110.7
967V51.3Low49Very low130 Ų130163.1 Ų163.179%0.78886%0.861SS**  trans-92.6138.7168.6177.20000110.3N965N965-V967 PolarHBondContact O-N 3.45Å
968I55.8Low49.3Very low148 Ų148166.6 Ų166.676%0.75986%0.86SS**  trans-79125.7-176.8-57.4169.5000110.4R970I968-R970 PolarHBondContact O-N 3.47Å
969P63.9Low49.3Very low121 Ų121172.2 Ų172.279%0.78686%0.86SS**  trans-78.1102.617230.9-32.7000111.1R971P969-R971 PolarHBondContact O-N 3.47Å
970R54.8Low49.7Very low238 Ų238171.6 Ų171.690%0.89886%0.861SS**  trans-73.1122.1164.6-101.9-176.3167.7179-3.7109.7I968I968-R970 PolarHBondContact O-N 3.47Å
971R51.1Low49.8Very low244 Ų244168.9 Ų168.992%0.92186%0.858SS**  trans-61.3140.4161.8-73.5-177.4174.5175.5-2.3109.9P969P969-R971 PolarHBondContact O-N 3.47Å
972K56.5Low50.5Low201 Ų201177.6 Ų177.687%0.87487%0.874SS**  trans-118.2171.2154-85.4-170.8174.8-176.40108.6
973Y50.2Low51Low311 Ų311173.7 Ų173.7100%1.2287%0.866SS**  trans-45.20170.7-69.2-95.6000112.8

Retrieved 973 of 973 residues in 235.4 ms (Link to these results)