A0A3Q0KN75_SCHMA Loading...

Epsin 4/enthoprotin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KN75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 583 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
1M57.7Low68.6Low182 Ų182116.6 Ų116.690%0.89756%0.556SS**  0-71.50-149.9175-156.100112.6R3 D4 I5M1-R3 PolarHBondContact O-N 2.87Å; M1-D4 WeakPolarHBondContact CA-OD2 3.29Å; M1-D4 PolarHBondContact N-OD2 2.87Å; M1-D4 PolarHBondContact O-N 2.93Å; M1-D4 VanDerWaalsContact O-N 3.12Å; M1-I5 HydrophobicContact CG-CD1 4.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 2.8Å
2L61.3Low68.8Low135 Ų135115.4 Ų115.471%0.70755%0.554SS**Hα-helixtrans-57.7-45.1-177.2-87166000113.8D4 I5 I6L2-D4 VanDerWaalsContact C-N 3.32Å; L2-D4 PolarHBondContact O-N 3.41Å; L2-I5 PolarHBondContact O-N 3.36Å; L2-I6 WeakPolarHBondContact O-CG1 3.48Å; L2-I6 PolarHBondContact O-N 3.38Å
3R64.4Low69.1Low193 Ų193107.6 Ų107.673%0.72852%0.521SS*.Hα-helixtrans-55.9-46.8174.1-71.8-175.5180171.6-0.1111.5M1 I5 I6 Y7M1-R3 PolarHBondContact O-N 2.87Å; R3-I5 VanDerWaalsContact C-N 3.31Å; R3-I5 PolarHBondContact O-N 3.38Å; R3-I6 CarbonylContact O-C 3.51Å; R3-I6 WeakPolarHBondContact O-CB 2.93Å; R3-I6 PolarHBondContact O-N 2.89Å; R3-I6 VanDerWaalsContact O-N 3.1Å; R3-Y7 HydrophobicContact CB-CD2 4.31Å; R3-Y7 HydrophobicContact CB-CE2 4.22Å; R3-Y7 WeakPolarHBondContact O-CD2 3.45Å; R3-Y7 PolarHBondContact O-N 3.21Å
4D67.9Low69Low84 Ų84104.6 Ų104.645%0.44951%0.509SS..Hα-helixtrans-65.8-34.2-177.5-30-53.1000112.1M1 L2 K8M1-D4 WeakPolarHBondContact CA-OD2 3.29Å; M1-D4 PolarHBondContact N-OD2 2.87Å; M1-D4 PolarHBondContact O-N 2.93Å; M1-D4 VanDerWaalsContact O-N 3.12Å; L2-D4 VanDerWaalsContact C-N 3.32Å; L2-D4 PolarHBondContact O-N 3.41Å; D4-K8 WeakPolarHBondContact O-CB 3.47Å; D4-K8 VanDerWaalsContact O-CG 3.28Å; D4-K8 WeakPolarHBondContact O-CG 3.39Å; D4-K8 PolarHBondContact O-N 3.4Å
5I74.7Confident69.2Low105 Ų105104.4 Ų104.454%0.53850%0.504SS..Hα-helixtrans-67-43172.1-66.4165.4000110.3M1 L2 R3 G9M1-I5 HydrophobicContact CG-CD1 4.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 2.8Å; L2-I5 PolarHBondContact O-N 3.36Å; R3-I5 VanDerWaalsContact C-N 3.31Å; R3-I5 PolarHBondContact O-N 3.38Å; I5-G9 PolarHBondContact O-N 3.25Å
6I72.1Confident69Low97 Ų97101.1 Ų101.150%0.49749%0.492SS..Hα-helixtrans-65.1-42.6176.2-66.7163000111.1L2 R3 G9 K10L2-I6 WeakPolarHBondContact O-CG1 3.48Å; L2-I6 PolarHBondContact O-N 3.38Å; R3-I6 CarbonylContact O-C 3.51Å; R3-I6 WeakPolarHBondContact O-CB 2.93Å; R3-I6 PolarHBondContact O-N 2.89Å; R3-I6 VanDerWaalsContact O-N 3.1Å; I6-G9 PolarHBondContact O-N 2.99Å; I6-K10 WeakPolarHBondContact O-CG 3.49Å; I6-K10 PolarHBondContact O-N 3.22Å
7Y67.3Low68.9Low96 Ų9697.8 Ų97.838%0.37648%0.479SS..Hα-helixtrans-64.1-47.4176.1-78.1-65.7000111.9R3 G9 K10 E11R3-Y7 HydrophobicContact CB-CD2 4.31Å; R3-Y7 HydrophobicContact CB-CE2 4.22Å; R3-Y7 WeakPolarHBondContact O-CD2 3.45Å; R3-Y7 PolarHBondContact O-N 3.21Å; Y7-G9 VanDerWaalsContact C-N 3.3Å; Y7-G9 PolarHBondContact O-N 3.23Å; Y7-K10 PolarHBondContact O-N 3.01Å; Y7-E11 WeakPolarHBondContact O-CB 3.24Å; Y7-E11 PolarHBondContact O-N 3.33Å
8K70.3Confident68.7Low146 Ų14693.7 Ų93.764%0.63546%0.46SS*.Hα-helixtrans-63.9-35.1174.8-72.8176.8179.3-175.10112.5D4 L12D4-K8 WeakPolarHBondContact O-CB 3.47Å; D4-K8 VanDerWaalsContact O-CG 3.28Å; D4-K8 WeakPolarHBondContact O-CG 3.39Å; D4-K8 PolarHBondContact O-N 3.4Å; K8-L12 WeakPolarHBondContact O-CB 3.28Å; K8-L12 PolarHBondContact O-N 2.91Å
9G72.7Confident68.3Low32 Ų3296.1 Ų96.133%0.3347%0.473SS..Hα-helixtrans-65.2-42.6174.200000112.5I5 I6 Y7 A13I5-G9 PolarHBondContact O-N 3.25Å; I6-G9 PolarHBondContact O-N 2.99Å; Y7-G9 VanDerWaalsContact C-N 3.3Å; Y7-G9 PolarHBondContact O-N 3.23Å; G9-A13 VanDerWaalsContact O-CB 3.32Å; G9-A13 WeakPolarHBondContact O-CB 3.41Å; G9-A13 PolarHBondContact O-N 2.6Å
10K73.6Confident67.5Low111 Ų11195.9 Ų95.948%0.48347%0.472SS..Hα-helixtrans-64.8-48.7172.1-74.6-176.3176.5-169.60111.8I6 Y7 L12 A13 D14I6-K10 WeakPolarHBondContact O-CG 3.49Å; I6-K10 PolarHBondContact O-N 3.22Å; Y7-K10 PolarHBondContact O-N 3.01Å; K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 PolarHBondContact O-N 3.47Å; K10-A13 PolarHBondContact O-N 3.22Å; K10-A13 VanDerWaalsContact O-N 3.12Å; K10-D14 WeakPolarHBondContact O-CB 3.46Å; K10-D14 PolarHBondContact O-N 3.21Å
11E72.6Confident67.5Low102 Ų10296 Ų9648%0.47747%0.472SS..Hα-helixtrans-59.5-37.3177.9-163.9-159.7174.600111.8Y7 K15Y7-E11 WeakPolarHBondContact O-CB 3.24Å; Y7-E11 PolarHBondContact O-N 3.33Å; E11-K15 WeakPolarHBondContact O-CB 3.47Å; E11-K15 WeakPolarHBondContact O-CD 3.39Å; E11-K15 WeakPolarHBondContact O-CG 3.47Å; E11-K15 PolarHBondContact O-N 3.11Å; E11-K15 WeakPolarHBondContact OE1-CE 3.36Å; E11-K15 IonicContact OE1-NZ 3.36Å; E11-K15 PolarHBondContact OE1-NZ 2.83Å; E11-K15 IonicContact OE2-NZ 2.68Å
12L71.7Confident68.5Low102 Ų10294.2 Ų94.253%0.53447%0.467SS..Hα-helixtrans-71.2-42.7173.9-173.165.9000111.9K8 K10 K15 V16K8-L12 WeakPolarHBondContact O-CB 3.28Å; K8-L12 PolarHBondContact O-N 2.91Å; K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 PolarHBondContact O-N 3.47Å; L12-K15 PolarHBondContact O-N 2.85Å; L12-V16 HydrophobicContact CD1-CG2 4.43Å; L12-V16 HydrophobicContact CG-CG2 4.39Å; L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.43Å; L12-V16 PolarHBondContact O-N 3.13Å
13A71.8Confident69.4Low14 Ų1491.2 Ų91.212%0.11645%0.447CS..Hα-helixtrans-64.3-38.9175.900000112.1G9 K10 T17 F249 W253G9-A13 VanDerWaalsContact O-CB 3.32Å; G9-A13 WeakPolarHBondContact O-CB 3.41Å; G9-A13 PolarHBondContact O-N 2.6Å; K10-A13 PolarHBondContact O-N 3.22Å; K10-A13 VanDerWaalsContact O-N 3.12Å; A13-T17 WeakPolarHBondContact O-CB 3.34Å; A13-T17 VanDerWaalsContact O-CG2 3.3Å; A13-T17 WeakPolarHBondContact O-CG2 3.49Å; A13-T17 PolarHBondContact O-N 3.11Å; A13-T17 PolarHBondContact O-OG1 2.97Å; A13-F249 HydrophobicContact CB-CZ 4.32Å; A13-W253 HydrophobicContact CB-CH2 4.24Å; A13-W253 HydrophobicContact CB-CZ3 3.98Å
14D68.7Low70.6Confident66 Ų6684.2 Ų84.235%0.35343%0.425SS..Hα-helixtrans-61.3-50.8170.2-81.4-40.8000110.1K10 V16 T17 N18K10-D14 WeakPolarHBondContact O-CB 3.46Å; K10-D14 PolarHBondContact O-N 3.21Å; D14-V16 PolarHBondContact O-N 3.46Å; D14-T17 PolarHBondContact O-N 3.06Å; D14-T17 PolarHBondContact O-OG1 2.72Å; D14-T17 VanDerWaalsContact O-OG1 3.1Å; D14-N18 VanDerWaalsContact O-CB 3.22Å; D14-N18 WeakPolarHBondContact O-CB 3.36Å; D14-N18 PolarHBondContact O-N 2.68Å; D14-N18 PolarHBondContact O-ND2 3.33Å
15K71.6Confident71.7Confident101 Ų10185.9 Ų85.944%0.43943%0.43SS..Hα-helixtrans-57.7-45.3176.7-74.7165.7-173.5170.30112.9E11 L12 N18 I19E11-K15 WeakPolarHBondContact O-CB 3.47Å; E11-K15 WeakPolarHBondContact O-CD 3.39Å; E11-K15 WeakPolarHBondContact O-CG 3.47Å; E11-K15 PolarHBondContact O-N 3.11Å; E11-K15 WeakPolarHBondContact OE1-CE 3.36Å; E11-K15 IonicContact OE1-NZ 3.36Å; E11-K15 PolarHBondContact OE1-NZ 2.83Å; E11-K15 IonicContact OE2-NZ 2.68Å; L12-K15 PolarHBondContact O-N 2.85Å; K15-N18 PolarHBondContact O-N 2.76Å; K15-I19 VanDerWaalsContact O-CG1 3.32Å; K15-I19 WeakPolarHBondContact O-CG1 3.35Å; K15-I19 PolarHBondContact O-N 2.94Å
16V66.5Low72.5Confident51 Ų5181 Ų8131%0.30941%0.406SS..Hα-helixtrans-64.8-47.6178.6169.10000111L12 D14 N18 I19 M20L12-V16 HydrophobicContact CD1-CG2 4.43Å; L12-V16 HydrophobicContact CG-CG2 4.39Å; L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.43Å; L12-V16 PolarHBondContact O-N 3.13Å; D14-V16 PolarHBondContact O-N 3.46Å; V16-N18 VanDerWaalsContact C-N 3.29Å; V16-N18 PolarHBondContact O-N 3.06Å; V16-I19 PolarHBondContact O-N 3.35Å; V16-M20 VanDerWaalsContact O-CB 3.26Å; V16-M20 WeakPolarHBondContact O-CB 3.29Å; V16-M20 PolarHBondContact O-N 2.96Å
17T66.6Low73.5Confident45 Ų4577.9 Ų77.928%0.27639%0.389SS..Hα-helixtrans-66.6-31.117755.70000112.6A13 D14 M21A13-T17 WeakPolarHBondContact O-CB 3.34Å; A13-T17 VanDerWaalsContact O-CG2 3.3Å; A13-T17 WeakPolarHBondContact O-CG2 3.49Å; A13-T17 PolarHBondContact O-N 3.11Å; A13-T17 PolarHBondContact O-OG1 2.97Å; D14-T17 PolarHBondContact O-N 3.06Å; D14-T17 PolarHBondContact O-OG1 2.72Å; D14-T17 VanDerWaalsContact O-OG1 3.1Å; T17-M21 VanDerWaalsContact O-CB 3.32Å; T17-M21 WeakPolarHBondContact O-CB 3.46Å; T17-M21 WeakPolarHBondContact O-CG 3.49Å; T17-M21 PolarHBondContact O-N 3.46Å
18N65.3Low74.6Confident25 Ų2576.2 Ų76.213%0.13439%0.387CS..Hα-helixtrans-70.1-37.5176.1-66.6-29.1000112.4D14 K15 V16 N22 Y23 L28 R31D14-N18 VanDerWaalsContact O-CB 3.22Å; D14-N18 WeakPolarHBondContact O-CB 3.36Å; D14-N18 PolarHBondContact O-N 2.68Å; D14-N18 PolarHBondContact O-ND2 3.33Å; K15-N18 PolarHBondContact O-N 2.76Å; V16-N18 VanDerWaalsContact C-N 3.29Å; V16-N18 PolarHBondContact O-N 3.06Å; N18-N22 PolarHBondContact O-N 3.36Å; N18-Y23 HydrophobicContact CB-CD2 4.25Å; N18-L28 HydrophobicContact CB-CD1 4.02Å; N18-L28 WeakPolarHBondContact ND2-CD1 3.18Å; N18-R31 PolarHBondContact OD1-NE 3.02Å; N18-R31 PolarHBondContact OD1-NH2 3.28Å
19I60.8Low75.7Confident138 Ų13871 Ų7171%0.70836%0.364SS*.Hα-helixtrans-68.8-48.5171.8-67.1164.3000110.4K15 V16 M21 N22K15-I19 VanDerWaalsContact O-CG1 3.32Å; K15-I19 WeakPolarHBondContact O-CG1 3.35Å; K15-I19 PolarHBondContact O-N 2.94Å; V16-I19 PolarHBondContact O-N 3.35Å; I19-M21 VanDerWaalsContact C-N 3.28Å; I19-M21 PolarHBondContact O-N 3.49Å; I19-N22 PolarHBondContact O-N 3.23Å
20M51.9Low76.7Confident92 Ų9269.4 Ų69.445%0.45335%0.348SS..Hα-helixtrans-55.8-39.3-179.3173.7-173.2165.100113.1V16 L246V16-M20 VanDerWaalsContact O-CB 3.26Å; V16-M20 WeakPolarHBondContact O-CB 3.29Å; V16-M20 PolarHBondContact O-N 2.96Å; M20-L246 HydrophobicContact CE-CD1 3.89Å; M20-L246 HydrophobicContact CE-CD2 3.77Å; M20-L246 HydrophobicContact CE-CG 4.31Å; M20-L246 HydrophobicContact CG-CD1 4.02Å; M20-L246 HydrophobicContact SD-CD1 3.96Å; M20-L246 HydrophobicContact SD-CD2 4Å; M20-L246 HydrophobicContact SD-CG 4.14Å
21M68.8Low77.5Confident98 Ų9866 Ų6648%0.48333%0.332SS..THydrogen-bonded Turntrans-93.3-2.1-175.4-63.9-70.6-177.200113.8T17 I19 Y23T17-M21 VanDerWaalsContact O-CB 3.32Å; T17-M21 WeakPolarHBondContact O-CB 3.46Å; T17-M21 WeakPolarHBondContact O-CG 3.49Å; T17-M21 PolarHBondContact O-N 3.46Å; I19-M21 VanDerWaalsContact C-N 3.28Å; I19-M21 PolarHBondContact O-N 3.49Å; M21-Y23 VanDerWaalsContact C-N 3.33Å; M21-Y23 HydrophobicContact CB-CD1 4.33Å; M21-Y23 HydrophobicContact CB-CD2 3.95Å; M21-Y23 HydrophobicContact CB-CE1 3.85Å; M21-Y23 HydrophobicContact CB-CE2 3.38Å; M21-Y23 HydrophobicContact CB-CG 4.37Å; M21-Y23 HydrophobicContact CG-CE2 3.91Å; M21-Y23 PolarHBondContact O-N 3.03Å
22N78.1Confident78.4Confident146 Ų14665 Ų6578%0.78133%0.328SS*.THydrogen-bonded Turntrans50.947.2179.7-16397.3000113.3N18 I19N18-N22 PolarHBondContact O-N 3.36Å; I19-N22 PolarHBondContact O-N 3.23Å
23Y81Confident79.5Confident72 Ų7260.3 Ų60.328%0.28230%0.303SS..  trans-68.6150.7174.9-62-55000111.8N18 M21 E27 R31N18-Y23 HydrophobicContact CB-CD2 4.25Å; M21-Y23 VanDerWaalsContact C-N 3.33Å; M21-Y23 HydrophobicContact CB-CD1 4.33Å; M21-Y23 HydrophobicContact CB-CD2 3.95Å; M21-Y23 HydrophobicContact CB-CE1 3.85Å; M21-Y23 HydrophobicContact CB-CE2 3.38Å; M21-Y23 HydrophobicContact CB-CG 4.37Å; M21-Y23 HydrophobicContact CG-CE2 3.91Å; M21-Y23 PolarHBondContact O-N 3.03Å; Y23-E27 VanDerWaalsContact CA-OE2 3.3Å; Y23-E27 WeakPolarHBondContact CA-OE2 3.4Å; Y23-E27 WeakPolarHBondContact CD1-OE2 3.45Å; Y23-R31 VanDerWaalsContact CE2-NE 3.31Å; Y23-R31 VanDerWaalsContact CE2-NH1 3.26Å; Y23-R31 VanDerWaalsContact CE2-NH2 3.29Å; Y23-R31 VanDerWaalsContact CZ-CZ 3.47Å; Y23-R31 PolarHBondContact OH-NH1 3.39Å; Y23-R31 VanDerWaalsContact OH-NH1 3.07Å
24T89.1Confident80.4Confident46 Ų4659.6 Ų59.628%0.28230%0.297SS..  trans-72.5166.6175.582.70000111.7A26 E27 L28 E61T24-A26 PolarHBondContact O-N 3.31Å; T24-A26 PolarHBondContact OG1-N 2.95Å; T24-E27 PolarHBondContact N-OE2 2.73Å; T24-E27 PolarHBondContact O-N 3.3Å; T24-E27 PolarHBondContact OG1-N 3.46Å; T24-L28 VanDerWaalsContact O-CB 3.24Å; T24-L28 WeakPolarHBondContact O-CB 3.09Å; T24-L28 PolarHBondContact O-N 3.02Å; T24-E61 VanDerWaalsContact CB-OE2 3.28Å; T24-E61 WeakPolarHBondContact CB-OE2 2.89Å; T24-E61 WeakPolarHBondContact CG2-OE2 3.42Å; T24-E61 PolarHBondContact OG1-OE2 3.07Å
25E90.2Very high81.4Confident118 Ų11858.2 Ų58.255%0.55129%0.29SS*.Hα-helixtrans-60-36.2174.4-164.3-168.6-162.900111.4L28 K29 Y52E25-L28 PolarHBondContact O-N 2.95Å; E25-K29 WeakPolarHBondContact O-CB 3.41Å; E25-K29 VanDerWaalsContact O-CG 3.22Å; E25-K29 WeakPolarHBondContact O-CG 3.25Å; E25-K29 PolarHBondContact O-N 2.99Å; E25-Y52 PolarHBondContact OE1-OH 3.49Å; E25-Y52 PolarHBondContact OE2-OH 3.49Å
26A92.2Very high82Confident4 Ų456 Ų563%0.03328%0.283CS..Hα-helixtrans-68.9-46.1179.900000111.4T24 K29 V30 Y52 V62T24-A26 PolarHBondContact O-N 3.31Å; T24-A26 PolarHBondContact OG1-N 2.95Å; A26-K29 PolarHBondContact O-N 2.69Å; A26-V30 PolarHBondContact O-N 3.07Å; A26-V30 VanDerWaalsContact O-N 3.14Å; A26-Y52 HydrophobicContact CB-CD1 4.25Å; A26-Y52 HydrophobicContact CB-CD2 4.5Å; A26-Y52 HydrophobicContact CB-CG 4.22Å; A26-V62 HydrophobicContact CB-CG2 3.98Å
27E92Very high82.8Confident31 Ų3155.9 Ų55.915%0.14528%0.281CS..Hα-helixtrans-60.8-45.2172.5-65.1-173.1120.300111.7Y23 T24 K29 V30 R31 E61 T65Y23-E27 VanDerWaalsContact CA-OE2 3.3Å; Y23-E27 WeakPolarHBondContact CA-OE2 3.4Å; Y23-E27 WeakPolarHBondContact CD1-OE2 3.45Å; T24-E27 PolarHBondContact N-OE2 2.73Å; T24-E27 PolarHBondContact O-N 3.3Å; T24-E27 PolarHBondContact OG1-N 3.46Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.35Å; E27-V30 PolarHBondContact O-N 3.12Å; E27-V30 VanDerWaalsContact O-N 3.12Å; E27-R31 VanDerWaalsContact O-CG 3.26Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 3.4Å; E27-E61 HydrophobicContact CG-CB 3.97Å; E27-T65 WeakPolarHBondContact CG-OG1 3.27Å; E27-T65 PolarHBondContact OE1-OG1 3.36Å
28L91.1Very high83.2Confident60 Ų6059.9 Ų59.931%0.31430%0.298SS..Hα-helixtrans-55.9-42.8176.7175.461.2000111.4N18 T24 E25 R31 E32N18-L28 HydrophobicContact CB-CD1 4.02Å; N18-L28 WeakPolarHBondContact ND2-CD1 3.18Å; T24-L28 VanDerWaalsContact O-CB 3.24Å; T24-L28 WeakPolarHBondContact O-CB 3.09Å; T24-L28 PolarHBondContact O-N 3.02Å; E25-L28 PolarHBondContact O-N 2.95Å; L28-R31 PolarHBondContact O-N 3.19Å; L28-E32 WeakPolarHBondContact O-CB 3.36Å; L28-E32 PolarHBondContact O-N 3.39Å
29K93Very high83.9Confident36 Ų3662.4 Ų62.416%0.15732%0.317CS..Hα-helixtrans-68.4-32.6177.9-70.6-73.6160.9-150.20113E25 A26 E27 E32 A33 L45 L49 Y52E25-K29 WeakPolarHBondContact O-CB 3.41Å; E25-K29 VanDerWaalsContact O-CG 3.22Å; E25-K29 WeakPolarHBondContact O-CG 3.25Å; E25-K29 PolarHBondContact O-N 2.99Å; A26-K29 PolarHBondContact O-N 2.69Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.35Å; K29-E32 VanDerWaalsContact NZ-CD 3.26Å; K29-E32 IonicContact NZ-OE1 2.68Å; K29-E32 PolarHBondContact NZ-OE1 2.97Å; K29-E32 VanDerWaalsContact NZ-OE1 3.09Å; K29-E32 IonicContact NZ-OE2 3.18Å; K29-E32 PolarHBondContact NZ-OE2 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.46Å; K29-A33 PolarHBondContact O-N 2.97Å; K29-L45 HydrophobicContact CB-CD1 4.1Å; K29-L45 HydrophobicContact CD-CD1 3.38Å; K29-L45 HydrophobicContact CG-CD1 4.33Å; K29-L49 HydrophobicContact CB-CD2 3.71Å; K29-L49 HydrophobicContact CB-CG 4.41Å; K29-Y52 HydrophobicContact CB-CE2 4.38Å; K29-Y52 HydrophobicContact CG-CE2 4.14Å
30V93.8Very high84.9Confident0 Ų060.6 Ų60.60%032%0.315CS..Hα-helixtrans-68.5-40.4169.8177.40000110.7A26 E27 E32 A33 T34 L49 V62 T65 L66A26-V30 PolarHBondContact O-N 3.07Å; A26-V30 VanDerWaalsContact O-N 3.14Å; E27-V30 PolarHBondContact O-N 3.12Å; E27-V30 VanDerWaalsContact O-N 3.12Å; V30-E32 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 3.1Å; V30-A33 PolarHBondContact O-N 3.3Å; V30-T34 HydrophobicContact CG1-CG2 4.24Å; V30-T34 WeakPolarHBondContact O-CB 3.17Å; V30-T34 WeakPolarHBondContact O-CG2 3.36Å; V30-T34 PolarHBondContact O-N 2.86Å; V30-T34 PolarHBondContact O-OG1 3.26Å; V30-L49 HydrophobicContact CG2-CD1 4.4Å; V30-L49 HydrophobicContact CG2-CD2 3.58Å; V30-V62 HydrophobicContact CG2-CB 4.1Å; V30-V62 HydrophobicContact CG2-CG1 3.82Å; V30-V62 HydrophobicContact CG2-CG2 4.01Å; V30-T65 HydrophobicContact CB-CG2 3.96Å; V30-T65 HydrophobicContact CG1-CG2 3.78Å; V30-L66 HydrophobicContact CG1-CB 4.28Å; V30-L66 HydrophobicContact CG1-CD1 4.19Å
31R91.7Very high86.5Confident40 Ų4057.1 Ų57.115%0.15130%0.299CS..Hα-helixtrans-65.2-36.4179.4-67.4170.369.891.7-1.9112.4N18 Y23 E27 L28 N35 T65 R69N18-R31 PolarHBondContact OD1-NE 3.02Å; N18-R31 PolarHBondContact OD1-NH2 3.28Å; Y23-R31 VanDerWaalsContact CE2-NE 3.31Å; Y23-R31 VanDerWaalsContact CE2-NH1 3.26Å; Y23-R31 VanDerWaalsContact CE2-NH2 3.29Å; Y23-R31 VanDerWaalsContact CZ-CZ 3.47Å; Y23-R31 PolarHBondContact OH-NH1 3.39Å; Y23-R31 VanDerWaalsContact OH-NH1 3.07Å; E27-R31 VanDerWaalsContact O-CG 3.26Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 3.4Å; L28-R31 PolarHBondContact O-N 3.19Å; R31-N35 PolarHBondContact O-N 2.91Å; R31-T65 HydrophobicContact CG-CG2 4.16Å; R31-R69 PolarHBondContact O-NH1 3.31Å
32E91.7Very high87.4Confident81 Ų8155.9 Ų55.938%0.37930%0.3SS..Hα-helixtrans-64.3-48.6170.9-174.6179.8137.600111.5L28 K29 V30 T34 N35 L45L28-E32 WeakPolarHBondContact O-CB 3.36Å; L28-E32 PolarHBondContact O-N 3.39Å; K29-E32 VanDerWaalsContact NZ-CD 3.26Å; K29-E32 IonicContact NZ-OE1 2.68Å; K29-E32 PolarHBondContact NZ-OE1 2.97Å; K29-E32 VanDerWaalsContact NZ-OE1 3.09Å; K29-E32 IonicContact NZ-OE2 3.18Å; K29-E32 PolarHBondContact NZ-OE2 3.31Å; V30-E32 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 3.1Å; E32-T34 VanDerWaalsContact C-N 3.3Å; E32-T34 PolarHBondContact O-N 2.98Å; E32-N35 PolarHBondContact O-N 2.82Å; E32-L45 HydrophobicContact CB-CD2 4.25Å; E32-L45 HydrophobicContact CG-CD2 3.78Å
33A93.1Very high88Confident2 Ų251.2 Ų51.22%0.01729%0.287CS..Hα-helixtrans-68.5-26179.700000114K29 V30 P41 L45 L49 V87K29-A33 WeakPolarHBondContact O-CB 3.46Å; K29-A33 PolarHBondContact O-N 2.97Å; V30-A33 PolarHBondContact O-N 3.3Å; A33-P41 HydrophobicContact CB-CB 4.21Å; A33-L45 HydrophobicContact CB-CD2 3.79Å; A33-L45 HydrophobicContact CB-CG 4.16Å; A33-L49 HydrophobicContact CB-CD1 3.71Å; A33-V87 HydrophobicContact CB-CG2 3.87Å
34T91.5Very high88.5Confident0 Ų058.1 Ų58.10%031%0.312CS..THydrogen-bonded Turntrans-105.725.1-178.660.70000113.2V30 E32 L66 R69 S84 V87V30-T34 HydrophobicContact CG1-CG2 4.24Å; V30-T34 WeakPolarHBondContact O-CB 3.17Å; V30-T34 WeakPolarHBondContact O-CG2 3.36Å; V30-T34 PolarHBondContact O-N 2.86Å; V30-T34 PolarHBondContact O-OG1 3.26Å; E32-T34 VanDerWaalsContact C-N 3.3Å; E32-T34 PolarHBondContact O-N 2.98Å; T34-L66 HydrophobicContact CG2-CD1 3.99Å; T34-R69 PolarHBondContact O-NH1 2.95Å; T34-R69 PolarHBondContact OG1-NH1 3.19Å; T34-S84 WeakPolarHBondContact CG2-OG 3.19Å; T34-V87 HydrophobicContact CG2-CG2 4.42Å
35N89Confident88.7Confident37 Ų3756.7 Ų56.720%0.19830%0.303CS..  trans-74.2161176.578.5-4.3000112.6R31 E32 D37 K83R31-N35 PolarHBondContact O-N 2.91Å; E32-N35 PolarHBondContact O-N 2.82Å; N35-D37 PolarHBondContact ND2-OD2 3.49Å; N35-D37 PolarHBondContact O-N 3.43Å; N35-K83 WeakPolarHBondContact O-CD 3.39Å; N35-K83 PolarHBondContact O-NZ 3.17Å; N35-K83 PolarHBondContact OD1-NZ 3.08Å
36D84.5Confident88.9Confident53 Ų5351.9 Ų51.928%0.28328%0.281SS..SBendtrans-82.513.7-174.9-66.8-71.6000114.9R79 R80D36-R79 WeakPolarHBondContact O-CD 3.27Å; D36-R79 PolarHBondContact O-NH1 2.99Å; D36-R80 IonicContact OD1-NE 2.66Å; D36-R80 IonicContact OD2-CZ 3.43Å; D36-R80 IonicContact OD2-NE 2.84Å; D36-R80 PolarHBondContact OD2-NE 3.03Å; D36-R80 IonicContact OD2-NH2 3.79Å; D36-R80 PolarHBondContact OD2-NH2 3.05Å
37D83Confident89Confident50 Ų5053.9 Ų53.927%0.26729%0.289SS..  trans-64157.3174.4-72-28.7000112.1N35 K83N35-D37 PolarHBondContact ND2-OD2 3.49Å; N35-D37 PolarHBondContact O-N 3.43Å; D37-K83 PolarHBondContact O-NZ 2.79Å
38M75.6Confident89.1Confident128 Ų12857.5 Ų57.563%0.63131%0.305SS*.SBendtrans-77.3-17.7-177.462.8-178.968.300114.6
39C79.4Confident89.3Confident79 Ų7954.7 Ų54.753%0.53429%0.29SS..SBendtrans-85.4149.7-178.754.90000112.7K83C39-K83 WeakPolarHBondContact O-CE 3.28Å; C39-K83 PolarHBondContact O-NZ 3.1Å
40C81.5Confident89.4Confident100 Ų10053 Ų5368%0.67628%0.283SS*.PPolyproline II helixtrans-63.8146.6169.9-65.40000111.4S42C40-S42 PolarHBondContact O-N 3.48Å
41P85.7Confident89.5Confident18 Ų1856.7 Ų56.712%0.11730%0.302CS..PPolyproline II helixtrans-63.213417726.2-33.6000110.8A33 G43 L46 V86A33-P41 HydrophobicContact CB-CB 4.21Å; P41-G43 PolarHBondContact O-N 3.34Å; P41-L46 HydrophobicContact CB-CD2 4.15Å; P41-L46 HydrophobicContact CB-CG 4.31Å; P41-L46 HydrophobicContact CG-CD1 4.28Å; P41-L46 HydrophobicContact CG-CD2 3.98Å; P41-L46 HydrophobicContact CG-CG 4.29Å; P41-V86 HydrophobicContact CG-CG1 4.19Å
42S88.9Confident89.6Confident72 Ų7257 Ų5750%0.50330%0.304SS..PPolyproline II helixtrans-58.6136.5-177-177.50000112C40 R44 L45 L46C40-S42 PolarHBondContact O-N 3.48Å; S42-R44 PolarHBondContact O-N 3.01Å; S42-R44 VanDerWaalsContact O-N 3.08Å; S42-L45 WeakPolarHBondContact O-CA 3.36Å; S42-L45 WeakPolarHBondContact O-CB 3.41Å; S42-L45 PolarHBondContact O-N 3.2Å; S42-L46 PolarHBondContact O-N 3.34Å
43G90.1Very high89.8Confident49 Ų4953.2 Ų53.251%0.50529%0.287SS..Hα-helixtrans-55.1-29176.300000114P41 Q47P41-G43 PolarHBondContact O-N 3.34Å; G43-Q47 WeakPolarHBondContact O-CB 3.35Å; G43-Q47 PolarHBondContact O-N 3.22Å
44R91.5Very high89.9Confident216 Ų21658.7 Ų58.782%0.81531%0.307SS*.Hα-helixtrans-70.4-31.2173.7-66.8-176.1178.7-177-0.1113.2S42 K48S42-R44 PolarHBondContact O-N 3.01Å; S42-R44 VanDerWaalsContact O-N 3.08Å; R44-K48 WeakPolarHBondContact O-CG 3.36Å; R44-K48 PolarHBondContact O-N 3.36Å
45L93.6Very high90Very high17 Ų1762.5 Ų62.59%0.08933%0.331CS..Hα-helixtrans-76-42.6174.3176.460.2000110.5K29 E32 A33 S42 K48 L49K29-L45 HydrophobicContact CB-CD1 4.1Å; K29-L45 HydrophobicContact CD-CD1 3.38Å; K29-L45 HydrophobicContact CG-CD1 4.33Å; E32-L45 HydrophobicContact CB-CD2 4.25Å; E32-L45 HydrophobicContact CG-CD2 3.78Å; A33-L45 HydrophobicContact CB-CD2 3.79Å; A33-L45 HydrophobicContact CB-CG 4.16Å; S42-L45 WeakPolarHBondContact O-CA 3.36Å; S42-L45 WeakPolarHBondContact O-CB 3.41Å; S42-L45 PolarHBondContact O-N 3.2Å; L45-K48 PolarHBondContact O-N 3.33Å; L45-L49 PolarHBondContact O-N 3.17Å
46L94.3Very high90.1Very high16 Ų1669.7 Ų69.78%0.08436%0.356CS..Hα-helixtrans-60.5-43.7174.2-67.6179000112.3P41 S42 L49 A50 V87 F90P41-L46 HydrophobicContact CB-CD2 4.15Å; P41-L46 HydrophobicContact CB-CG 4.31Å; P41-L46 HydrophobicContact CG-CD1 4.28Å; P41-L46 HydrophobicContact CG-CD2 3.98Å; P41-L46 HydrophobicContact CG-CG 4.29Å; S42-L46 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 3.1Å; L46-A50 PolarHBondContact O-N 3.36Å; L46-V87 HydrophobicContact CD2-CB 4.4Å; L46-V87 HydrophobicContact CD2-CG2 3.76Å; L46-F90 HydrophobicContact CB-CD1 3.72Å; L46-F90 HydrophobicContact CB-CD2 4.1Å; L46-F90 HydrophobicContact CB-CE1 3.78Å; L46-F90 HydrophobicContact CB-CE2 4.15Å; L46-F90 HydrophobicContact CB-CG 3.89Å; L46-F90 HydrophobicContact CB-CZ 3.99Å; L46-F90 HydrophobicContact CD1-CB 4.31Å; L46-F90 HydrophobicContact CD1-CD2 3.98Å; L46-F90 HydrophobicContact CD1-CG 4.1Å; L46-F90 HydrophobicContact CD2-CB 4.44Å; L46-F90 HydrophobicContact CG-CG 4.42Å; L46-F90 VanDerWaalsContact O-CE1 3.23Å; L46-F90 WeakPolarHBondContact O-CE1 3.43Å
47Q93.7Very high90.5Very high46 Ų4674.1 Ų74.122%0.21538%0.376CS..Hα-helixtrans-62.4-44.9176.4-174.756.158.800111.5G43 L49 A50 D51G43-Q47 WeakPolarHBondContact O-CB 3.35Å; G43-Q47 PolarHBondContact O-N 3.22Å; Q47-L49 VanDerWaalsContact C-N 3.29Å; Q47-L49 PolarHBondContact O-N 2.6Å; Q47-A50 CarbonylContact O-C 3.59Å; Q47-A50 WeakPolarHBondContact O-CA 3.23Å; Q47-A50 WeakPolarHBondContact O-CB 3.43Å; Q47-A50 PolarHBondContact O-N 2.94Å; Q47-D51 PolarHBondContact NE2-OD1 3.09Å; Q47-D51 PolarHBondContact O-N 2.97Å
48K94.3Very high91Very high108 Ų10872.5 Ų72.547%0.4737%0.368SS..Hα-helixtrans-57-41.2173.6-77.3-174.9172.3-1590112.5R44 L45 D51 Y52R44-K48 WeakPolarHBondContact O-CG 3.36Å; R44-K48 PolarHBondContact O-N 3.36Å; L45-K48 PolarHBondContact O-N 3.33Å; K48-D51 PolarHBondContact O-N 2.83Å; K48-Y52 HydrophobicContact CB-CE2 4.39Å; K48-Y52 WeakPolarHBondContact O-CD2 3.32Å; K48-Y52 PolarHBondContact O-N 2.98Å
49L95.9Very high91.8Very high0 Ų066.5 Ų66.50%034%0.339CS..Hα-helixtrans-62.4-42.5174.6-73.4176.3000112.1K29 V30 A33 L45 L46 Q47 D51 Y52 T53 V62 V87 L91K29-L49 HydrophobicContact CB-CD2 3.71Å; K29-L49 HydrophobicContact CB-CG 4.41Å; V30-L49 HydrophobicContact CG2-CD1 4.4Å; V30-L49 HydrophobicContact CG2-CD2 3.58Å; A33-L49 HydrophobicContact CB-CD1 3.71Å; L45-L49 PolarHBondContact O-N 3.17Å; L46-L49 PolarHBondContact O-N 3.1Å; Q47-L49 VanDerWaalsContact C-N 3.29Å; Q47-L49 PolarHBondContact O-N 2.6Å; L49-D51 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 2.97Å; L49-Y52 HydrophobicContact CD2-CD2 4.41Å; L49-Y52 PolarHBondContact O-N 2.81Å; L49-T53 WeakPolarHBondContact O-CG2 3.45Å; L49-T53 PolarHBondContact O-N 3.42Å; L49-V62 HydrophobicContact CD2-CG2 4.21Å; L49-V87 HydrophobicContact CD1-CG1 4.14Å; L49-L91 HydrophobicContact CB-CD2 4.1Å
50A95.2Very high92.5Very high0 Ų068.6 Ų68.60%034%0.339CS..Hα-helixtrans-62.3-39.717300000112.2L46 Q47 Y52 T53 Y54 F90 L91 N94L46-A50 PolarHBondContact O-N 3.36Å; Q47-A50 CarbonylContact O-C 3.59Å; Q47-A50 WeakPolarHBondContact O-CA 3.23Å; Q47-A50 WeakPolarHBondContact O-CB 3.43Å; Q47-A50 PolarHBondContact O-N 2.94Å; A50-Y52 PolarHBondContact O-N 2.84Å; A50-T53 PolarHBondContact O-N 3.27Å; A50-T53 VanDerWaalsContact O-N 3.12Å; A50-T53 PolarHBondContact O-OG1 2.88Å; A50-Y54 VanDerWaalsContact O-CD2 3.3Å; A50-Y54 WeakPolarHBondContact O-CD2 3.35Å; A50-F90 HydrophobicContact CB-CD1 4.37Å; A50-F90 HydrophobicContact CB-CE1 3.86Å; A50-L91 HydrophobicContact CB-CD2 4Å; A50-N94 HydrophobicContact CB-CB 3.84Å
51D94.7Very high93.1Very high78 Ų7866.6 Ų66.642%0.41732%0.32SS..Hα-helixtrans-61.5-43.7176.8-58.4-30.2000111.3Q47 K48 L49 T53 Y54Q47-D51 PolarHBondContact NE2-OD1 3.09Å; Q47-D51 PolarHBondContact O-N 2.97Å; K48-D51 PolarHBondContact O-N 2.83Å; L49-D51 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 2.97Å; D51-T53 PolarHBondContact O-N 3.43Å; D51-Y54 PolarHBondContact O-N 2.89Å
52Y95Very high93.6Very high47 Ų4765.7 Ų65.718%0.18431%0.314CS..Hα-helixtrans-62.1-24.6174.3-69.7-64.3000113.9E25 A26 K29 K48 L49 A50 Y54 T55 S58 C59E25-Y52 PolarHBondContact OE1-OH 3.49Å; E25-Y52 PolarHBondContact OE2-OH 3.49Å; A26-Y52 HydrophobicContact CB-CD1 4.25Å; A26-Y52 HydrophobicContact CB-CD2 4.5Å; A26-Y52 HydrophobicContact CB-CG 4.22Å; K29-Y52 HydrophobicContact CB-CE2 4.38Å; K29-Y52 HydrophobicContact CG-CE2 4.14Å; K48-Y52 HydrophobicContact CB-CE2 4.39Å; K48-Y52 WeakPolarHBondContact O-CD2 3.32Å; K48-Y52 PolarHBondContact O-N 2.98Å; L49-Y52 HydrophobicContact CD2-CD2 4.41Å; L49-Y52 PolarHBondContact O-N 2.81Å; A50-Y52 PolarHBondContact O-N 2.84Å; Y52-Y54 VanDerWaalsContact C-N 3.26Å; Y52-Y54 PolarHBondContact O-N 2.93Å; Y52-T55 PolarHBondContact O-N 2.87Å; Y52-S58 PolarHBondContact O-OG 2.92Å; Y52-C59 PolarHBondContact O-N 2.97Å
53T95.2Very high93.8Very high2 Ų262.4 Ų62.41%0.01229%0.291CS..THydrogen-bonded Turntrans-72.1-15.3177.666.70000114.2L49 A50 D51 T55 C59 V62 L91 G95 S96 V99L49-T53 WeakPolarHBondContact O-CG2 3.45Å; L49-T53 PolarHBondContact O-N 3.42Å; A50-T53 PolarHBondContact O-N 3.27Å; A50-T53 VanDerWaalsContact O-N 3.12Å; A50-T53 PolarHBondContact O-OG1 2.88Å; D51-T53 PolarHBondContact O-N 3.43Å; T53-T55 VanDerWaalsContact C-N 3.33Å; T53-C59 WeakPolarHBondContact O-CB 3.24Å; T53-C59 PolarHBondContact O-SG 2.66Å; T53-C59 VanDerWaalsContact O-SG 3.36Å; T53-V62 HydrophobicContact CG2-CG1 4.23Å; T53-L91 HydrophobicContact CG2-CD1 4.37Å; T53-L91 HydrophobicContact CG2-CD2 3.94Å; T53-G95 WeakPolarHBondContact OG1-CA 3.34Å; T53-S96 WeakPolarHBondContact O-CB 3.37Å; T53-S96 PolarHBondContact O-OG 3.05Å; T53-S96 PolarHBondContact OG1-N 3.37Å; T53-V99 HydrophobicContact CG2-CG2 3.78Å
54Y94.6Very high94Very high116 Ų11661.2 Ų61.246%0.45528%0.275SS..THydrogen-bonded Turntrans-79.6-15.9175.8-68.2-75.4000113.3A50 D51 Y52 N94 G95A50-Y54 VanDerWaalsContact O-CD2 3.3Å; A50-Y54 WeakPolarHBondContact O-CD2 3.35Å; D51-Y54 PolarHBondContact O-N 2.89Å; Y52-Y54 VanDerWaalsContact C-N 3.26Å; Y52-Y54 PolarHBondContact O-N 2.93Å; Y54-N94 PolarHBondContact OH-O 3.2Å; Y54-G95 PolarHBondContact OH-O 3.47Å; Y54-G95 VanDerWaalsContact OH-O 3.14Å
55T94.9Very high94.1Very high80 Ų8051.3 Ų51.349%0.49124%0.238SC..SBendtrans-95.7123.8171.7-67.20000109.3Y52 T53 E57 S58 C59Y52-T55 PolarHBondContact O-N 2.87Å; T53-T55 VanDerWaalsContact C-N 3.33Å; T55-E57 PolarHBondContact O-N 3.49Å; T55-S58 WeakPolarHBondContact CB-OG 3.43Å; T55-S58 PolarHBondContact O-N 3.5Å; T55-S58 PolarHBondContact O-OG 3.41Å; T55-C59 WeakPolarHBondContact O-CB 3.43Å; T55-C59 PolarHBondContact O-N 2.86Å
56Y91.4Very high94.1Very high188 Ų18850.5 Ų50.574%0.73723%0.234SC*.Hα-helixtrans-55.7-46-170.5-178.4-101.3000113.7C59 F60Y56-C59 PolarHBondContact O-N 3.27Å; Y56-F60 PolarHBondContact O-N 2.85Å
57E91.5Very high94.1Very high147 Ų14750.8 Ų50.869%0.68723%0.234SC*.Hα-helixtrans-64.3-58.1-178.1-62.1172.1165.900111.2T55 C59 F60 E61T55-E57 PolarHBondContact O-N 3.49Å; E57-C59 PolarHBondContact O-N 2.9Å; E57-F60 PolarHBondContact O-N 3.44Å; E57-F60 VanDerWaalsContact O-N 3.12Å; E57-E61 PolarHBondContact O-N 2.99Å
58S93.4Very high93.9Very high15 Ų1554.6 Ų54.611%0.10525%0.25CC..Hα-helixtrans-66-23.8178.554.80000113.7Y52 T55 F60 E61 V62Y52-S58 PolarHBondContact O-OG 2.92Å; T55-S58 WeakPolarHBondContact CB-OG 3.43Å; T55-S58 PolarHBondContact O-N 3.5Å; T55-S58 PolarHBondContact O-OG 3.41Å; S58-F60 VanDerWaalsContact C-N 3.34Å; S58-E61 PolarHBondContact O-N 3.48Å; S58-V62 WeakPolarHBondContact O-CB 3.46Å; S58-V62 VanDerWaalsContact O-CG2 3.24Å; S58-V62 WeakPolarHBondContact O-CG2 3.5Å; S58-V62 PolarHBondContact O-N 3.32Å
59C94.1Very high93.7Very high3 Ų351 Ų512%0.0223%0.233CC..Hα-helixtrans-63.8-39.9173.1-168.50000111.8Y52 T53 T55 Y56 E57 M63 Y98Y52-C59 PolarHBondContact O-N 2.97Å; T53-C59 WeakPolarHBondContact O-CB 3.24Å; T53-C59 PolarHBondContact O-SG 2.66Å; T53-C59 VanDerWaalsContact O-SG 3.36Å; T55-C59 WeakPolarHBondContact O-CB 3.43Å; T55-C59 PolarHBondContact O-N 2.86Å; Y56-C59 PolarHBondContact O-N 3.27Å; E57-C59 PolarHBondContact O-N 2.9Å; C59-M63 WeakPolarHBondContact O-CB 3.48Å; C59-M63 WeakPolarHBondContact O-CG 3.33Å; C59-M63 PolarHBondContact O-N 2.97Å; C59-Y98 VanDerWaalsContact SG-CD1 3.52Å
60F93.7Very high93.4Very high122 Ų12251 Ų5154%0.53523%0.233SC..Hα-helixtrans-70.6-37.3177-167.6-93.9000111.9Y56 E57 S58 S64Y56-F60 PolarHBondContact O-N 2.85Å; E57-F60 PolarHBondContact O-N 3.44Å; E57-F60 VanDerWaalsContact O-N 3.12Å; S58-F60 VanDerWaalsContact C-N 3.34Å; F60-S64 WeakPolarHBondContact O-CB 3.01Å; F60-S64 PolarHBondContact O-N 3.12Å; F60-S64 PolarHBondContact O-OG 3.1Å
61E93.3Very high92.6Very high58 Ų5854.1 Ų54.127%0.27125%0.248SC..Hα-helixtrans-61.6-47.6172.7-66.4174-176.200112.1T24 E27 E57 S58 S64 T65T24-E61 VanDerWaalsContact CB-OE2 3.28Å; T24-E61 WeakPolarHBondContact CB-OE2 2.89Å; T24-E61 WeakPolarHBondContact CG2-OE2 3.42Å; T24-E61 PolarHBondContact OG1-OE2 3.07Å; E27-E61 HydrophobicContact CG-CB 3.97Å; E57-E61 PolarHBondContact O-N 2.99Å; S58-E61 PolarHBondContact O-N 3.48Å; E61-S64 PolarHBondContact O-OG 2.89Å; E61-T65 WeakPolarHBondContact O-CB 3.47Å; E61-T65 PolarHBondContact O-N 3.11Å; E61-T65 PolarHBondContact O-OG1 3.49Å
62V95.6Very high91.4Very high0 Ų055.8 Ų55.80%025%0.251CS..Hα-helixtrans-59.7-54.8176.9165.30000110.7A26 V30 L49 T53 S58 T65 L66 L91A26-V62 HydrophobicContact CB-CG2 3.98Å; V30-V62 HydrophobicContact CG2-CB 4.1Å; V30-V62 HydrophobicContact CG2-CG1 3.82Å; V30-V62 HydrophobicContact CG2-CG2 4.01Å; L49-V62 HydrophobicContact CD2-CG2 4.21Å; T53-V62 HydrophobicContact CG2-CG1 4.23Å; S58-V62 WeakPolarHBondContact O-CB 3.46Å; S58-V62 VanDerWaalsContact O-CG2 3.24Å; S58-V62 WeakPolarHBondContact O-CG2 3.5Å; S58-V62 PolarHBondContact O-N 3.32Å; V62-T65 PolarHBondContact O-N 3.44Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 PolarHBondContact O-N 3.17Å; V62-L91 HydrophobicContact CG1-CD1 3.93Å
63M94.8Very high89.7Confident2 Ų262.1 Ų62.11%0.0128%0.283CS..Hα-helixtrans-66.5-46.9-176.3-67.7-55.9-62.200111.7C59 T65 L66 W67 L88 L91 Y98 V99C59-M63 WeakPolarHBondContact O-CB 3.48Å; C59-M63 WeakPolarHBondContact O-CG 3.33Å; C59-M63 PolarHBondContact O-N 2.97Å; M63-T65 VanDerWaalsContact C-N 3.29Å; M63-T65 PolarHBondContact O-N 3.31Å; M63-L66 WeakPolarHBondContact O-CB 3.24Å; M63-L66 PolarHBondContact O-N 3.39Å; M63-L66 VanDerWaalsContact O-N 3.09Å; M63-L66 HydrophobicContact SD-CD2 4.48Å; M63-W67 HydrophobicContact CE-CZ2 3.57Å; M63-W67 PolarHBondContact O-N 3.15Å; M63-L88 HydrophobicContact CE-CD1 4.03Å; M63-L91 HydrophobicContact SD-CD1 4.24Å; M63-Y98 HydrophobicContact CG-CE1 4.46Å; M63-V99 HydrophobicContact CE-CG1 4.22Å; M63-V99 HydrophobicContact SD-CG1 4.04Å; M63-V99 HydrophobicContact SD-CG2 4.28Å
64S93.2Very high88.2Confident24 Ų2466 Ų6617%0.16830%0.304CS..Hα-helixtrans-64.7-32.3179.9720000112.7F60 E61 K68F60-S64 WeakPolarHBondContact O-CB 3.01Å; F60-S64 PolarHBondContact O-N 3.12Å; F60-S64 PolarHBondContact O-OG 3.1Å; E61-S64 PolarHBondContact O-OG 2.89Å; S64-K68 WeakPolarHBondContact O-CB 3.36Å; S64-K68 WeakPolarHBondContact O-CD 3.42Å; S64-K68 WeakPolarHBondContact O-CE 3.4Å; S64-K68 WeakPolarHBondContact O-CG 3.2Å; S64-K68 PolarHBondContact O-N 2.62Å; S64-K68 PolarHBondContact OG-NZ 2.74Å
65T92.7Very high86.9Confident8 Ų869.7 Ų69.75%0.04932%0.316CS..Hα-helixtrans-71.5-36.9172.1-63.70000112.2E27 V30 R31 E61 V62 M63 R69E27-T65 WeakPolarHBondContact CG-OG1 3.27Å; E27-T65 PolarHBondContact OE1-OG1 3.36Å; V30-T65 HydrophobicContact CB-CG2 3.96Å; V30-T65 HydrophobicContact CG1-CG2 3.78Å; R31-T65 HydrophobicContact CG-CG2 4.16Å; E61-T65 WeakPolarHBondContact O-CB 3.47Å; E61-T65 PolarHBondContact O-N 3.11Å; E61-T65 PolarHBondContact O-OG1 3.49Å; V62-T65 PolarHBondContact O-N 3.44Å; M63-T65 VanDerWaalsContact C-N 3.29Å; M63-T65 PolarHBondContact O-N 3.31Å; T65-R69 HydrophobicContact CG2-CG 4.47Å; T65-R69 WeakPolarHBondContact O-CB 3.21Å; T65-R69 WeakPolarHBondContact O-CG 3.43Å; T65-R69 PolarHBondContact O-N 2.82Å
66L94.6Very high85.7Confident0 Ų073.5 Ų73.50%033%0.327CS..Hα-helixtrans-65.1-46.6177-170.263.3000111.8V30 T34 V62 M63 R69 M70 V87 L88 L91V30-L66 HydrophobicContact CG1-CB 4.28Å; V30-L66 HydrophobicContact CG1-CD1 4.19Å; T34-L66 HydrophobicContact CG2-CD1 3.99Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 PolarHBondContact O-N 3.17Å; M63-L66 WeakPolarHBondContact O-CB 3.24Å; M63-L66 PolarHBondContact O-N 3.39Å; M63-L66 VanDerWaalsContact O-N 3.09Å; M63-L66 HydrophobicContact SD-CD2 4.48Å; L66-R69 PolarHBondContact O-N 3.36Å; L66-M70 WeakPolarHBondContact O-CB 3.47Å; L66-M70 PolarHBondContact O-N 2.82Å; L66-V87 HydrophobicContact CD1-CB 4.02Å; L66-V87 HydrophobicContact CD1-CG1 3.88Å; L66-V87 HydrophobicContact CD2-CG1 4.04Å; L66-L88 HydrophobicContact CD2-CB 4.13Å; L66-L88 HydrophobicContact CD2-CD1 4.37Å; L66-L91 HydrophobicContact CD2-CD1 4.14Å
67W93.5Very high85.3Confident23 Ų2365.5 Ų65.59%0.08730%0.298CS..Hα-helixtrans-59.6-47.6175.3-61.9124.7000111.7M63 R69 M70 H71 L88 S102 A103 H106 I110M63-W67 HydrophobicContact CE-CZ2 3.57Å; M63-W67 PolarHBondContact O-N 3.15Å; W67-R69 VanDerWaalsContact C-N 3.27Å; W67-R69 PolarHBondContact O-N 2.8Å; W67-M70 HydrophobicContact CD2-CE 4.47Å; W67-M70 HydrophobicContact CE3-CE 3.35Å; W67-M70 HydrophobicContact CH2-CE 4.27Å; W67-M70 HydrophobicContact CZ3-CE 3.23Å; W67-M70 PolarHBondContact O-N 3.43Å; W67-H71 PolarHBondContact O-N 3.44Å; W67-H71 VanDerWaalsContact O-N 3.1Å; W67-L88 HydrophobicContact CH2-CD1 4.43Å; W67-L88 HydrophobicContact CH2-CD2 3.91Å; W67-L88 HydrophobicContact CZ3-CD2 4.25Å; W67-S102 WeakPolarHBondContact CZ2-O 3.14Å; W67-S102 PolarHBondContact NE1-OG 3.27Å; W67-S102 VanDerWaalsContact NE1-OG 3.13Å; W67-A103 HydrophobicContact CH2-CB 4.35Å; W67-A103 HydrophobicContact CZ2-CB 4.48Å; W67-H106 HydrophobicContact CD2-CB 4.23Å; W67-H106 AromaticContact CE2-CG 3.85Å; W67-H106 AromaticContact CE2-ND1 3.77Å; W67-H106 HydrophobicContact CE3-CB 3.99Å; W67-H106 HydrophobicContact CH2-CB 3.73Å; W67-H106 HydrophobicContact CZ2-CB 3.92Å; W67-H106 AromaticContact CZ2-ND1 3.97Å; W67-H106 HydrophobicContact CZ3-CB 3.72Å; W67-H106 AromaticContact NE1-CE1 3.86Å; W67-H106 AromaticContact NE1-ND1 3.76Å; W67-I110 HydrophobicContact CH2-CD1 4.02Å; W67-I110 HydrophobicContact CH2-CG1 4.29Å; W67-I110 HydrophobicContact CZ3-CD1 4.1Å; W67-I110 HydrophobicContact CZ3-CG1 3.86Å
68K90.4Very high85.2Confident125 Ų12560 Ų6054%0.54327%0.271SS..Hα-helixtrans-58.7-34.5174.7-69.1162.2-162.2156.90113.1S64S64-K68 WeakPolarHBondContact O-CB 3.36Å; S64-K68 WeakPolarHBondContact O-CD 3.42Å; S64-K68 WeakPolarHBondContact O-CE 3.4Å; S64-K68 WeakPolarHBondContact O-CG 3.2Å; S64-K68 PolarHBondContact O-N 2.62Å; S64-K68 PolarHBondContact OG-NZ 2.74Å
69R89.4Confident85.1Confident33 Ų3362.9 Ų62.913%0.12528%0.28CS..Hα-helixtrans-77.5-30178.3-81.1-73.9-178.7112.6-17112.9R31 T34 T65 L66 W67 R80R31-R69 PolarHBondContact O-NH1 3.31Å; T34-R69 PolarHBondContact O-NH1 2.95Å; T34-R69 PolarHBondContact OG1-NH1 3.19Å; T65-R69 HydrophobicContact CG2-CG 4.47Å; T65-R69 WeakPolarHBondContact O-CB 3.21Å; T65-R69 WeakPolarHBondContact O-CG 3.43Å; T65-R69 PolarHBondContact O-N 2.82Å; L66-R69 PolarHBondContact O-N 3.36Å; W67-R69 VanDerWaalsContact C-N 3.27Å; W67-R69 PolarHBondContact O-N 2.8Å; R69-R80 HydrophobicContact CB-CG 4.5Å; R69-R80 WeakPolarHBondContact O-CG 3.38Å
70M89.3Confident85Confident1 Ų165 Ų651%0.00529%0.287CS..Hα-helixtrans-82.7-36.2-176.8-170.715357.900113.7L66 W67 V81 L85 L88 L113L66-M70 WeakPolarHBondContact O-CB 3.47Å; L66-M70 PolarHBondContact O-N 2.82Å; W67-M70 HydrophobicContact CD2-CE 4.47Å; W67-M70 HydrophobicContact CE3-CE 3.35Å; W67-M70 HydrophobicContact CH2-CE 4.27Å; W67-M70 HydrophobicContact CZ3-CE 3.23Å; W67-M70 PolarHBondContact O-N 3.43Å; M70-V81 HydrophobicContact CG-CG1 4.48Å; M70-L85 HydrophobicContact SD-CD2 3.56Å; M70-L85 VanDerWaalsContact SD-CD2 3.56Å; M70-L85 HydrophobicContact SD-CG 3.75Å; M70-L88 HydrophobicContact CE-CD2 4.14Å; M70-L113 HydrophobicContact CG-CD1 3.79Å; M70-L113 HydrophobicContact SD-CD1 4.22Å
71H79.5Confident84.9Confident64 Ų6459.6 Ų59.630%0.29626%0.264SS..SBendtrans-107.329.7-179-60.7-74.8000113.2W67 D109W67-H71 PolarHBondContact O-N 3.44Å; W67-H71 VanDerWaalsContact O-N 3.1Å; H71-D109 VanDerWaalsContact CE1-C 3.42Å; H71-D109 PolarHBondContact CE1-O 3.19Å
72F69Low84.9Confident114 Ų11460 Ų6050%0.526%0.264SS..  trans-68.9139.5175.2-157.9-100.1000111D74F72-D74 HydrophobicContact CD1-CB 4.12Å; F72-D74 HydrophobicContact CE1-CB 4.5Å; F72-D74 WeakPolarHBondContact CE1-OD2 3.36Å; F72-D74 PolarHBondContact O-N 2.9Å; F72-D74 VanDerWaalsContact O-N 3.11Å
73E60.5Low84.9Confident180 Ų18060.5 Ų60.584%0.84127%0.266SS*.SBendtrans-64-23.9-165.2-60.5180171.100114.3R75E73-R75 PolarHBondContact O-N 3.41Å
74D62.8Low84.8Confident84 Ų8460.4 Ų60.445%0.44927%0.266SS..  trans-69.786.3176.1-71.5-39.1000112.6F72 F76 S77F72-D74 HydrophobicContact CD1-CB 4.12Å; F72-D74 HydrophobicContact CE1-CB 4.5Å; F72-D74 WeakPolarHBondContact CE1-OD2 3.36Å; F72-D74 PolarHBondContact O-N 2.9Å; F72-D74 VanDerWaalsContact O-N 3.11Å; D74-F76 PolarHBondContact O-N 3.02Å; D74-S77 PolarHBondContact O-N 3.21Å
75R67Low84.9Confident192 Ų19259.3 Ų59.373%0.72526%0.258SS*.THydrogen-bonded Turntrans-53.1-13.1172.5-67.5-169.1-69-91.41.9114.9E73E73-R75 PolarHBondContact O-N 3.41Å
76F69.6Low85Confident161 Ų16159.8 Ų59.871%0.70626%0.261SS*.THydrogen-bonded Turntrans-74.7-20.9174.2-55.9-74.2000113.8D74 W78 Y118D74-F76 PolarHBondContact O-N 3.02Å; F76-W78 PolarHBondContact O-N 3.16Å; F76-Y118 HydrophobicContact CB-CE2 4.29Å; F76-Y118 HydrophobicContact CD1-CE2 4.26Å; F76-Y118 WeakPolarHBondContact O-CE2 3.44Å
77S82.6Confident85.1Confident20 Ų2059.8 Ų59.814%0.1426%0.261CS..  trans-82.245.8-175.7-54.50000113.3D74 R79 R80 V81D74-S77 PolarHBondContact O-N 3.21Å; S77-R79 PolarHBondContact O-N 2.93Å; S77-R79 VanDerWaalsContact O-N 3.09Å; S77-R80 WeakPolarHBondContact O-CB 3.5Å; S77-R80 PolarHBondContact O-N 2.72Å; S77-V81 PolarHBondContact O-N 3.43Å
78W89.8Confident85.2Confident30 Ų3058.7 Ų58.711%0.11426%0.257CS..Hα-helixtrans-55.9-32.8-172.573.4-94.6000113.7F76 V81 Y82 F116 Y118 Q126F76-W78 PolarHBondContact O-N 3.16Å; W78-V81 PolarHBondContact O-N 3.43Å; W78-Y82 WeakPolarHBondContact O-CB 3.39Å; W78-Y82 PolarHBondContact O-N 3.25Å; W78-F116 HydrophobicContact CB-CE1 3.76Å; W78-F116 HydrophobicContact CB-CZ 3.8Å; W78-Y118 HydrophobicContact CB-CD1 4.43Å; W78-Y118 HydrophobicContact CB-CD2 4.4Å; W78-Y118 HydrophobicContact CB-CG 4.09Å; W78-Y118 AromaticContact CD1-CD1 3.36Å; W78-Y118 AromaticContact CD1-CD2 3.94Å; W78-Y118 AromaticContact CD1-CE1 3.26Å; W78-Y118 AromaticContact CD1-CE2 3.86Å; W78-Y118 AromaticContact CD1-CG 3.71Å; W78-Y118 AromaticContact CD1-CZ 3.52Å; W78-Y118 AromaticContact CG-CD1 3.98Å; W78-Y118 HydrophobicContact CG-CD1 3.98Å; W78-Y118 HydrophobicContact CG-CE1 4.27Å; W78-Y118 HydrophobicContact CG-CG 4.11Å; W78-Y118 AromaticContact NE1-CD1 3.8Å; W78-Y118 AromaticContact NE1-CE1 3.41Å; W78-Y118 AromaticContact NE1-CZ 3.89Å; W78-Q126 HydrophobicContact CD2-CB 3.65Å; W78-Q126 HydrophobicContact CD2-CG 4.39Å; W78-Q126 HydrophobicContact CE3-CB 3.96Å; W78-Q126 HydrophobicContact CG-CB 4.18Å; W78-Q126 HydrophobicContact CH2-CB 4.02Å; W78-Q126 HydrophobicContact CH2-CG 4.24Å; W78-Q126 HydrophobicContact CZ2-CB 3.71Å; W78-Q126 HydrophobicContact CZ2-CG 3.64Å; W78-Q126 HydrophobicContact CZ3-CB 4.15Å
79R91.7Very high85.5Confident77 Ų7753.2 Ų53.229%0.29123%0.233SC..Hα-helixtrans-65.2-42.2176.9-68.6-174.7180171.42.3112.6D36 S77 Y82 K83D36-R79 WeakPolarHBondContact O-CD 3.27Å; D36-R79 PolarHBondContact O-NH1 2.99Å; S77-R79 PolarHBondContact O-N 2.93Å; S77-R79 VanDerWaalsContact O-N 3.09Å; R79-Y82 PolarHBondContact O-N 2.87Å; R79-K83 VanDerWaalsContact O-CB 3.27Å; R79-K83 WeakPolarHBondContact O-CB 3.39Å; R79-K83 WeakPolarHBondContact O-CG 2.96Å; R79-K83 PolarHBondContact O-N 2.78Å
80R91.4Very high85.8Confident46 Ų4653.8 Ų53.817%0.17424%0.237CC..Hα-helixtrans-61.8-43.4175.2-173.2-177.4-59.4165.87.3111.6D36 R69 S77 S84D36-R80 IonicContact OD1-NE 2.66Å; D36-R80 IonicContact OD2-CZ 3.43Å; D36-R80 IonicContact OD2-NE 2.84Å; D36-R80 PolarHBondContact OD2-NE 3.03Å; D36-R80 IonicContact OD2-NH2 3.79Å; D36-R80 PolarHBondContact OD2-NH2 3.05Å; R69-R80 HydrophobicContact CB-CG 4.5Å; R69-R80 WeakPolarHBondContact O-CG 3.38Å; S77-R80 WeakPolarHBondContact O-CB 3.5Å; S77-R80 PolarHBondContact O-N 2.72Å; R80-S84 WeakPolarHBondContact O-CB 3.38Å; R80-S84 PolarHBondContact O-N 3.12Å; R80-S84 PolarHBondContact O-OG 3.31Å
81V92.7Very high86.1Confident9 Ų953.8 Ų53.86%0.05524%0.237CC..Hα-helixtrans-62.9-52.5175.4-176.10000110.3M70 S77 W78 K83 S84 L85 L113 F116 V130M70-V81 HydrophobicContact CG-CG1 4.48Å; S77-V81 PolarHBondContact O-N 3.43Å; W78-V81 PolarHBondContact O-N 3.43Å; V81-K83 PolarHBondContact O-N 3.36Å; V81-S84 PolarHBondContact O-N 2.8Å; V81-L85 HydrophobicContact CG1-CD1 4.33Å; V81-L85 WeakPolarHBondContact O-CG 3.29Å; V81-L85 PolarHBondContact O-N 3.11Å; V81-L113 HydrophobicContact CG1-CD1 3.86Å; V81-L113 HydrophobicContact CG1-CD2 4.03Å; V81-F116 HydrophobicContact CG2-CE2 4.29Å; V81-V130 HydrophobicContact CG1-CG1 3.86Å
82Y93.6Very high86.9Confident68 Ų6850.9 Ų50.927%0.26722%0.224SC..Hα-helixtrans-56.9-48177.8-178.9-99.3000112.5W78 R79 S84 L85 V86 N129 R133W78-Y82 WeakPolarHBondContact O-CB 3.39Å; W78-Y82 PolarHBondContact O-N 3.25Å; R79-Y82 PolarHBondContact O-N 2.87Å; Y82-S84 VanDerWaalsContact C-N 3.34Å; Y82-S84 PolarHBondContact O-N 3.26Å; Y82-L85 WeakPolarHBondContact O-CB 3.25Å; Y82-L85 PolarHBondContact O-N 3.02Å; Y82-V86 HydrophobicContact CD1-CG2 4.18Å; Y82-V86 HydrophobicContact CE1-CG2 3.78Å; Y82-V86 WeakPolarHBondContact O-CG2 3.49Å; Y82-V86 PolarHBondContact O-N 3.45Å; Y82-N129 HydrophobicContact CD2-CB 4.18Å; Y82-N129 HydrophobicContact CE2-CB 4.11Å; Y82-N129 WeakPolarHBondContact CE2-O 3.25Å; Y82-R133 HydrophobicContact CD2-CB 4.32Å; Y82-R133 HydrophobicContact CE2-CB 4.08Å; Y82-R133 HydrophobicContact CE2-CG 4.37Å
83K94Very high88.1Confident10 Ų1048.2 Ų48.24%0.04321%0.212CC..Hα-helixtrans-63.5-37.4176.5-80.8173.1155.8176.10112.8N35 D37 C39 R79 V81 L85 V86 V87N35-K83 WeakPolarHBondContact O-CD 3.39Å; N35-K83 PolarHBondContact O-NZ 3.17Å; N35-K83 PolarHBondContact OD1-NZ 3.08Å; D37-K83 PolarHBondContact O-NZ 2.79Å; C39-K83 WeakPolarHBondContact O-CE 3.28Å; C39-K83 PolarHBondContact O-NZ 3.1Å; R79-K83 VanDerWaalsContact O-CB 3.27Å; R79-K83 WeakPolarHBondContact O-CB 3.39Å; R79-K83 WeakPolarHBondContact O-CG 2.96Å; R79-K83 PolarHBondContact O-N 2.78Å; V81-K83 PolarHBondContact O-N 3.36Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-V86 PolarHBondContact O-N 3.47Å; K83-V87 VanDerWaalsContact O-CG2 3.31Å; K83-V87 WeakPolarHBondContact O-CG2 3.39Å; K83-V87 PolarHBondContact O-N 3.22Å
84S94.5Very high89.8Confident0 Ų040.7 Ų40.70%018%0.177CC..Hα-helixtrans-63.4-41.6175.8-57.20000111.2T34 R80 V81 Y82 V87 L88T34-S84 WeakPolarHBondContact CG2-OG 3.19Å; R80-S84 WeakPolarHBondContact O-CB 3.38Å; R80-S84 PolarHBondContact O-N 3.12Å; R80-S84 PolarHBondContact O-OG 3.31Å; V81-S84 PolarHBondContact O-N 2.8Å; Y82-S84 VanDerWaalsContact C-N 3.34Å; Y82-S84 PolarHBondContact O-N 3.26Å; S84-V87 PolarHBondContact O-N 3.02Å; S84-L88 WeakPolarHBondContact O-CB 3.28Å; S84-L88 PolarHBondContact O-N 2.94Å
85L95.2Very high91.2Very high0 Ų036.7 Ų36.70%016%0.156CC..Hα-helixtrans-64.4-41.3172.5-66.9161.8000112.3M70 V81 Y82 K83 L88 T89 I110 L113 V130 R133 V134 V137M70-L85 HydrophobicContact SD-CD2 3.56Å; M70-L85 VanDerWaalsContact SD-CD2 3.56Å; M70-L85 HydrophobicContact SD-CG 3.75Å; V81-L85 HydrophobicContact CG1-CD1 4.33Å; V81-L85 WeakPolarHBondContact O-CG 3.29Å; V81-L85 PolarHBondContact O-N 3.11Å; Y82-L85 WeakPolarHBondContact O-CB 3.25Å; Y82-L85 PolarHBondContact O-N 3.02Å; K83-L85 VanDerWaalsContact C-N 3.34Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-T89 PolarHBondContact O-N 2.68Å; L85-T89 PolarHBondContact O-OG1 3.43Å; L85-I110 HydrophobicContact CD2-CG2 4.46Å; L85-L113 HydrophobicContact CD1-CD1 4.41Å; L85-L113 HydrophobicContact CD2-CD1 4.31Å; L85-V130 HydrophobicContact CD1-CG1 3.9Å; L85-R133 HydrophobicContact CB-CG 3.87Å; L85-V134 HydrophobicContact CD1-CG2 3.57Å; L85-V134 HydrophobicContact CD2-CG2 4.11Å; L85-V137 HydrophobicContact CD2-CG2 4.5Å
86V94.9Very high92.6Very high19 Ų1928.3 Ų28.312%0.11513%0.127CC..Hα-helixtrans-61.5-44.3175.7169.40000111.4P41 Y82 K83 T89 F90P41-V86 HydrophobicContact CG-CG1 4.19Å; Y82-V86 HydrophobicContact CD1-CG2 4.18Å; Y82-V86 HydrophobicContact CE1-CG2 3.78Å; Y82-V86 WeakPolarHBondContact O-CG2 3.49Å; Y82-V86 PolarHBondContact O-N 3.45Å; K83-V86 PolarHBondContact O-N 3.47Å; V86-T89 PolarHBondContact O-N 2.95Å; V86-F90 PolarHBondContact O-N 3.18Å; V86-F90 VanDerWaalsContact O-N 3.11Å
87V96Very high93.7Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-60.7-48.2173.4171.60000110.4A33 T34 L46 L49 L66 K83 S84 T89 F90 L91A33-V87 HydrophobicContact CB-CG2 3.87Å; T34-V87 HydrophobicContact CG2-CG2 4.42Å; L46-V87 HydrophobicContact CD2-CB 4.4Å; L46-V87 HydrophobicContact CD2-CG2 3.76Å; L49-V87 HydrophobicContact CD1-CG1 4.14Å; L66-V87 HydrophobicContact CD1-CB 4.02Å; L66-V87 HydrophobicContact CD1-CG1 3.88Å; L66-V87 HydrophobicContact CD2-CG1 4.04Å; K83-V87 VanDerWaalsContact O-CG2 3.31Å; K83-V87 WeakPolarHBondContact O-CG2 3.39Å; K83-V87 PolarHBondContact O-N 3.22Å; S84-V87 PolarHBondContact O-N 3.02Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-T89 PolarHBondContact O-N 3.44Å; V87-F90 PolarHBondContact O-N 2.98Å; V87-F90 VanDerWaalsContact O-N 3.11Å; V87-L91 HydrophobicContact CG1-CD1 3.84Å; V87-L91 HydrophobicContact CG1-CG 4.15Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 2.91Å
88L96.5Very high94.3Very high0 Ų028.7 Ų28.70%013%0.129CC..Hα-helixtrans-58.7-43.6177.8-177.458.9000112.1M63 L66 W67 M70 S84 L85 F90 L91 L92 V99 A103 I110 V137M63-L88 HydrophobicContact CE-CD1 4.03Å; L66-L88 HydrophobicContact CD2-CB 4.13Å; L66-L88 HydrophobicContact CD2-CD1 4.37Å; W67-L88 HydrophobicContact CH2-CD1 4.43Å; W67-L88 HydrophobicContact CH2-CD2 3.91Å; W67-L88 HydrophobicContact CZ3-CD2 4.25Å; M70-L88 HydrophobicContact CE-CD2 4.14Å; S84-L88 WeakPolarHBondContact O-CB 3.28Å; S84-L88 PolarHBondContact O-N 2.94Å; L85-L88 PolarHBondContact O-N 2.93Å; L88-F90 VanDerWaalsContact C-N 3.28Å; L88-F90 PolarHBondContact O-N 3.25Å; L88-L91 PolarHBondContact O-N 3.41Å; L88-L92 HydrophobicContact CD1-CD1 4.46Å; L88-L92 HydrophobicContact CD1-CG 4.37Å; L88-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.41Å; L88-V99 HydrophobicContact CD1-CG1 4.37Å; L88-A103 HydrophobicContact CD1-CB 4.3Å; L88-I110 HydrophobicContact CD2-CD1 3.99Å; L88-V137 HydrophobicContact CD2-CG1 3.99Å; L88-V137 HydrophobicContact CG-CG1 4.49Å
89T95.6Very high94.6Very high9 Ų927.3 Ų27.36%0.05512%0.124CC..Hα-helixtrans-58.1-42175.9-39.60000111.2L85 V86 V87 K93 R133 V137 L140L85-T89 PolarHBondContact O-N 2.68Å; L85-T89 PolarHBondContact O-OG1 3.43Å; V86-T89 PolarHBondContact O-N 2.95Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-T89 PolarHBondContact O-N 3.44Å; T89-K93 WeakPolarHBondContact O-CG 3.4Å; T89-K93 PolarHBondContact O-N 3.14Å; T89-R133 PolarHBondContact OG1-NE 2.94Å; T89-R133 PolarHBondContact OG1-NH2 3.29Å; T89-V137 WeakPolarHBondContact OG1-CG2 3.44Å; T89-L140 HydrophobicContact CG2-CD2 4.13Å
90F95.6Very high94.7Very high46 Ų4625.4 Ų25.420%0.20212%0.119CC..Hα-helixtrans-69.5-44.9178.5-174.5-86.9000111.7L46 A50 V86 V87 L88 L92 K93 N94L46-F90 HydrophobicContact CB-CD1 3.72Å; L46-F90 HydrophobicContact CB-CD2 4.1Å; L46-F90 HydrophobicContact CB-CE1 3.78Å; L46-F90 HydrophobicContact CB-CE2 4.15Å; L46-F90 HydrophobicContact CB-CG 3.89Å; L46-F90 HydrophobicContact CB-CZ 3.99Å; L46-F90 HydrophobicContact CD1-CB 4.31Å; L46-F90 HydrophobicContact CD1-CD2 3.98Å; L46-F90 HydrophobicContact CD1-CG 4.1Å; L46-F90 HydrophobicContact CD2-CB 4.44Å; L46-F90 HydrophobicContact CG-CG 4.42Å; L46-F90 VanDerWaalsContact O-CE1 3.23Å; L46-F90 WeakPolarHBondContact O-CE1 3.43Å; A50-F90 HydrophobicContact CB-CD1 4.37Å; A50-F90 HydrophobicContact CB-CE1 3.86Å; V86-F90 PolarHBondContact O-N 3.18Å; V86-F90 VanDerWaalsContact O-N 3.11Å; V87-F90 PolarHBondContact O-N 2.98Å; V87-F90 VanDerWaalsContact O-N 3.11Å; L88-F90 VanDerWaalsContact C-N 3.28Å; L88-F90 PolarHBondContact O-N 3.25Å; F90-L92 PolarHBondContact O-N 2.92Å; F90-K93 PolarHBondContact O-N 3.28Å; F90-K93 VanDerWaalsContact O-N 3.12Å; F90-N94 HydrophobicContact CD1-CB 3.98Å; F90-N94 HydrophobicContact CE1-CB 3.54Å; F90-N94 WeakPolarHBondContact CE2-ND2 3.5Å; F90-N94 HydrophobicContact CZ-CB 3.9Å; F90-N94 WeakPolarHBondContact CZ-ND2 3.2Å; F90-N94 WeakPolarHBondContact O-CB 3.33Å; F90-N94 PolarHBondContact O-N 2.86Å
91L96.1Very high94.9Very high1 Ų127.9 Ų27.91%0.00513%0.133CC..Hα-helixtrans-64-38.3-179.8-67.1-179.9000112.1L49 A50 T53 V62 M63 L66 V87 L88 K93 N94 G95 V99L49-L91 HydrophobicContact CB-CD2 4.1Å; A50-L91 HydrophobicContact CB-CD2 4Å; T53-L91 HydrophobicContact CG2-CD1 4.37Å; T53-L91 HydrophobicContact CG2-CD2 3.94Å; V62-L91 HydrophobicContact CG1-CD1 3.93Å; M63-L91 HydrophobicContact SD-CD1 4.24Å; L66-L91 HydrophobicContact CD2-CD1 4.14Å; V87-L91 HydrophobicContact CG1-CD1 3.84Å; V87-L91 HydrophobicContact CG1-CG 4.15Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 2.91Å; L88-L91 PolarHBondContact O-N 3.41Å; L91-K93 VanDerWaalsContact C-N 3.28Å; L91-K93 PolarHBondContact O-N 2.9Å; L91-N94 PolarHBondContact O-N 2.9Å; L91-G95 WeakPolarHBondContact O-CA 3.42Å; L91-G95 PolarHBondContact O-N 3.27Å; L91-V99 HydrophobicContact CB-CG1 3.76Å; L91-V99 HydrophobicContact CB-CG2 4.41Å
92L96.2Very high95Very high3 Ų327.6 Ų27.62%0.01613%0.131CC..Hα-helixtrans-57.8-41.2172.1-74.4167.4000111.7L88 F90 V99 L100 A103 L140 I141 L147 R151L88-L92 HydrophobicContact CD1-CD1 4.46Å; L88-L92 HydrophobicContact CD1-CG 4.37Å; L88-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.41Å; F90-L92 PolarHBondContact O-N 2.92Å; L92-V99 HydrophobicContact CD2-CG1 4.15Å; L92-V99 HydrophobicContact CG-CG1 4.31Å; L92-L100 HydrophobicContact CD2-CB 4.34Å; L92-L100 HydrophobicContact CD2-CD1 4.15Å; L92-A103 HydrophobicContact CD2-CB 4Å; L92-L140 HydrophobicContact CB-CD2 4.3Å; L92-L140 HydrophobicContact CD1-CD2 4.33Å; L92-I141 HydrophobicContact CD1-CD1 4.25Å; L92-I141 HydrophobicContact CD1-CG1 3.81Å; L92-I141 HydrophobicContact CD2-CG1 4.48Å; L92-L147 HydrophobicContact CB-CD1 4.19Å; L92-R151 WeakPolarHBondContact O-CD 3.45Å; L92-R151 WeakPolarHBondContact O-CG 3.23Å; L92-R151 PolarHBondContact O-NE 2.98Å; L92-R151 VanDerWaalsContact O-NE 3.13Å
93K95.1Very high95.2Very high58 Ų5824.3 Ų24.325%0.25212%0.118SC..Hα-helixtrans-80-27.7-179.6-64.7-177.1-176.4-168.30114.4T89 F90 L91 L140 E150 A154T89-K93 WeakPolarHBondContact O-CG 3.4Å; T89-K93 PolarHBondContact O-N 3.14Å; F90-K93 PolarHBondContact O-N 3.28Å; F90-K93 VanDerWaalsContact O-N 3.12Å; L91-K93 VanDerWaalsContact C-N 3.28Å; L91-K93 PolarHBondContact O-N 2.9Å; K93-L140 HydrophobicContact CG-CD2 4.2Å; K93-E150 HydrophobicContact CD-CB 4.28Å; K93-E150 WeakPolarHBondContact CD-OE2 3.45Å; K93-E150 VanDerWaalsContact CE-OE2 3.23Å; K93-E150 WeakPolarHBondContact CE-OE2 3.19Å; K93-E150 HydrophobicContact CG-CB 4.28Å; K93-E150 IonicContact NZ-OE2 3.87Å; K93-E150 PolarHBondContact NZ-OE2 3.21Å; K93-A154 WeakPolarHBondContact O-CB 3.45Å
94N94.6Very high95.3Very high21 Ų2127.6 Ų27.611%0.11213%0.134CC..Hα-helixtrans-122.9-13.9-168.3-83.8-79.6000116.5A50 Y54 F90 L91 R158A50-N94 HydrophobicContact CB-CB 3.84Å; Y54-N94 PolarHBondContact OH-O 3.2Å; F90-N94 HydrophobicContact CD1-CB 3.98Å; F90-N94 HydrophobicContact CE1-CB 3.54Å; F90-N94 WeakPolarHBondContact CE2-ND2 3.5Å; F90-N94 HydrophobicContact CZ-CB 3.9Å; F90-N94 WeakPolarHBondContact CZ-ND2 3.2Å; F90-N94 WeakPolarHBondContact O-CB 3.33Å; F90-N94 PolarHBondContact O-N 2.86Å; L91-N94 PolarHBondContact O-N 2.9Å; N94-R158 PolarHBondContact O-NH2 3.43Å; N94-R158 PolarHBondContact OD1-NH2 3.48Å
95G93.6Very high95.3Very high0 Ų032 Ų320%016%0.158CC..SBendtrans-97-166.6-173.800000114.6T53 Y54 L91 R151T53-G95 WeakPolarHBondContact OG1-CA 3.34Å; Y54-G95 PolarHBondContact OH-O 3.47Å; Y54-G95 VanDerWaalsContact OH-O 3.14Å; L91-G95 WeakPolarHBondContact O-CA 3.42Å; L91-G95 PolarHBondContact O-N 3.27Å; G95-R151 PolarHBondContact O-NH2 3.48Å
96S94.8Very high95.3Very high16 Ų1634.9 Ų34.911%0.11217%0.171CC..  trans-72.9163.4177.370.70000113.1T53 Y98 V99T53-S96 WeakPolarHBondContact O-CB 3.37Å; T53-S96 PolarHBondContact O-OG 3.05Å; T53-S96 PolarHBondContact OG1-N 3.37Å; S96-Y98 PolarHBondContact O-N 2.93Å; S96-V99 WeakPolarHBondContact O-CB 3.38Å; S96-V99 PolarHBondContact O-N 3.28Å
97D93.2Very high95.3Very high110 Ų11035.1 Ų35.159%0.58817%0.171SC*.Hα-helixtrans-67.7-21.1-178.6-52.6-55.1000112.9V99 L100 Q101 R151D97-V99 VanDerWaalsContact C-N 3.25Å; D97-V99 PolarHBondContact O-N 3.17Å; D97-L100 WeakPolarHBondContact O-CB 3.37Å; D97-L100 PolarHBondContact O-N 3.26Å; D97-Q101 PolarHBondContact O-N 2.91Å; D97-R151 IonicContact OD1-CZ 2.62Å; D97-R151 IonicContact OD1-NH1 3.67Å; D97-R151 PolarHBondContact OD1-NH1 3.16Å; D97-R151 IonicContact OD1-NH2 3.49Å; D97-R151 PolarHBondContact OD1-NH2 3.42Å
98Y95Very high95.2Very high80 Ų8043.1 Ų43.131%0.31420%0.202SC..Hα-helixtrans-62.3-30.8173.4-178.7-92.3000112.7C59 M63 S96 L100 Q101 S102C59-Y98 VanDerWaalsContact SG-CD1 3.52Å; M63-Y98 HydrophobicContact CG-CE1 4.46Å; S96-Y98 PolarHBondContact O-N 2.93Å; Y98-L100 VanDerWaalsContact C-N 3.27Å; Y98-L100 PolarHBondContact O-N 3.03Å; Y98-Q101 PolarHBondContact O-N 3.45Å; Y98-S102 WeakPolarHBondContact O-CB 3.33Å; Y98-S102 PolarHBondContact O-N 2.93Å
99V95.9Very high95.1Very high0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-60.3-40.1176.4-178.70000110.8T53 M63 L88 L91 L92 S96 D97 A103T53-V99 HydrophobicContact CG2-CG2 3.78Å; M63-V99 HydrophobicContact CE-CG1 4.22Å; M63-V99 HydrophobicContact SD-CG1 4.04Å; M63-V99 HydrophobicContact SD-CG2 4.28Å; L88-V99 HydrophobicContact CD1-CG1 4.37Å; L91-V99 HydrophobicContact CB-CG1 3.76Å; L91-V99 HydrophobicContact CB-CG2 4.41Å; L92-V99 HydrophobicContact CD2-CG1 4.15Å; L92-V99 HydrophobicContact CG-CG1 4.31Å; S96-V99 WeakPolarHBondContact O-CB 3.38Å; S96-V99 PolarHBondContact O-N 3.28Å; D97-V99 VanDerWaalsContact C-N 3.25Å; D97-V99 PolarHBondContact O-N 3.17Å; V99-A103 VanDerWaalsContact O-CB 3.27Å; V99-A103 WeakPolarHBondContact O-CB 3.22Å; V99-A103 PolarHBondContact O-N 3.05Å
100L95.3Very high95Very high38 Ų3846 Ų4620%0.19922%0.218CC..Hα-helixtrans-66.1-47.5177175.757.8000111.2L92 D97 Y98 S102 A103 Q104 L147L92-L100 HydrophobicContact CD2-CB 4.34Å; L92-L100 HydrophobicContact CD2-CD1 4.15Å; D97-L100 WeakPolarHBondContact O-CB 3.37Å; D97-L100 PolarHBondContact O-N 3.26Å; Y98-L100 VanDerWaalsContact C-N 3.27Å; Y98-L100 PolarHBondContact O-N 3.03Å; L100-S102 PolarHBondContact O-N 3.46Å; L100-A103 PolarHBondContact O-N 3.37Å; L100-Q104 HydrophobicContact CD1-CG 4.13Å; L100-Q104 WeakPolarHBondContact O-CG 3.32Å; L100-Q104 PolarHBondContact O-N 2.68Å; L100-L147 HydrophobicContact CD1-CD2 3.45Å; L100-L147 VanDerWaalsContact CD1-CD2 3.45Å; L100-L147 HydrophobicContact CD2-CD2 3.65Å; L100-L147 HydrophobicContact CG-CD2 4.06Å
101Q95.2Very high94.9Very high97 Ų9747.9 Ų47.945%0.45322%0.224SC..Hα-helixtrans-57.5-51.8177.1-175.363.160.700110.8D97 Y98 A103 Q104 D105D97-Q101 PolarHBondContact O-N 2.91Å; Y98-Q101 PolarHBondContact O-N 3.45Å; Q101-A103 VanDerWaalsContact C-N 3.25Å; Q101-A103 PolarHBondContact O-N 2.86Å; Q101-Q104 PolarHBondContact O-N 2.67Å; Q101-D105 PolarHBondContact NE2-OD1 2.96Å; Q101-D105 PolarHBondContact O-N 3.18Å
102S95.1Very high94.8Very high3 Ų351.4 Ų51.42%0.02125%0.245CC..Hα-helixtrans-59.7-35.4179.3-173.70000112.4W67 Y98 L100 H106W67-S102 WeakPolarHBondContact CZ2-O 3.14Å; W67-S102 PolarHBondContact NE1-OG 3.27Å; W67-S102 VanDerWaalsContact NE1-OG 3.13Å; Y98-S102 WeakPolarHBondContact O-CB 3.33Å; Y98-S102 PolarHBondContact O-N 2.93Å; L100-S102 PolarHBondContact O-N 3.46Å; S102-H106 PolarHBondContact O-N 2.63Å; S102-H106 PolarHBondContact O-ND1 3.02Å
103A96Very high94.6Very high0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-74.3-29.2176.100000113.9W67 L88 L92 V99 L100 Q101 I107 I141W67-A103 HydrophobicContact CH2-CB 4.35Å; W67-A103 HydrophobicContact CZ2-CB 4.48Å; L88-A103 HydrophobicContact CD1-CB 4.3Å; L92-A103 HydrophobicContact CD2-CB 4Å; V99-A103 VanDerWaalsContact O-CB 3.27Å; V99-A103 WeakPolarHBondContact O-CB 3.22Å; V99-A103 PolarHBondContact O-N 3.05Å; L100-A103 PolarHBondContact O-N 3.37Å; Q101-A103 VanDerWaalsContact C-N 3.25Å; Q101-A103 PolarHBondContact O-N 2.86Å; A103-I107 PolarHBondContact O-N 3.26Å; A103-I141 HydrophobicContact CB-CD1 3.82Å; A103-I141 HydrophobicContact CB-CG1 4.12Å
104Q96.1Very high94.5Very high79 Ų7953.4 Ų53.437%0.36926%0.255SS..Hα-helixtrans-71.9-41.1170.7-73.1178.2-1200111.2L100 Q101 H106 I107 I141L100-Q104 HydrophobicContact CD1-CG 4.13Å; L100-Q104 WeakPolarHBondContact O-CG 3.32Å; L100-Q104 PolarHBondContact O-N 2.68Å; Q101-Q104 PolarHBondContact O-N 2.67Å; Q104-H106 VanDerWaalsContact C-N 3.3Å; Q104-H106 PolarHBondContact O-N 3.03Å; Q104-I107 WeakPolarHBondContact O-CB 3.38Å; Q104-I107 VanDerWaalsContact O-CG2 3.26Å; Q104-I107 WeakPolarHBondContact O-CG2 3.26Å; Q104-I107 PolarHBondContact O-N 3.31Å; Q104-I141 HydrophobicContact CG-CG2 3.64Å
105D95.6Very high94.3Very high93 Ų9356.6 Ų56.650%0.49728%0.28SS..Hα-helixtrans-60-39.5177.5-58.9-26.1000111.8Q101Q101-D105 PolarHBondContact NE2-OD1 2.96Å; Q101-D105 PolarHBondContact O-N 3.18Å
106H94.8Very high94.2Very high59 Ų5957.5 Ų57.527%0.27328%0.284SS..THydrogen-bonded Turntrans-97.716.9-178.8-59.880.9000113.7W67 S102 Q104 Y108 D109 I110W67-H106 HydrophobicContact CD2-CB 4.23Å; W67-H106 AromaticContact CE2-CG 3.85Å; W67-H106 AromaticContact CE2-ND1 3.77Å; W67-H106 HydrophobicContact CE3-CB 3.99Å; W67-H106 HydrophobicContact CH2-CB 3.73Å; W67-H106 HydrophobicContact CZ2-CB 3.92Å; W67-H106 AromaticContact CZ2-ND1 3.97Å; W67-H106 HydrophobicContact CZ3-CB 3.72Å; W67-H106 AromaticContact NE1-CE1 3.86Å; W67-H106 AromaticContact NE1-ND1 3.76Å; S102-H106 PolarHBondContact O-N 2.63Å; S102-H106 PolarHBondContact O-ND1 3.02Å; Q104-H106 VanDerWaalsContact C-N 3.3Å; Q104-H106 PolarHBondContact O-N 3.03Å; H106-Y108 PolarHBondContact O-N 3.24Å; H106-Y108 VanDerWaalsContact O-N 3.13Å; H106-D109 IonicContact CD2-OD2 2.76Å; H106-D109 PolarHBondContact CD2-OD2 3.05Å; H106-D109 IonicContact CG-OD2 2.66Å; H106-D109 WeakPolarHBondContact O-CB 3.3Å; H106-D109 PolarHBondContact O-N 3.11Å; H106-I110 PolarHBondContact O-N 2.94Å
107I95Very high94Very high24 Ų2465.6 Ų65.612%0.12331%0.312CS..Hα-helixtrans-59-29.8-176.1-165.5172.7000113.2A103 Q104 R111 I141 Q142A103-I107 PolarHBondContact O-N 3.26Å; Q104-I107 WeakPolarHBondContact O-CB 3.38Å; Q104-I107 VanDerWaalsContact O-CG2 3.26Å; Q104-I107 WeakPolarHBondContact O-CG2 3.26Å; Q104-I107 PolarHBondContact O-N 3.31Å; I107-R111 WeakPolarHBondContact O-CG 3.39Å; I107-R111 PolarHBondContact O-N 3.4Å; I107-I141 HydrophobicContact CD1-CG2 4.05Å; I107-Q142 HydrophobicContact CD1-CG 4.11Å
108Y94.6Very high93.8Very high168 Ų16862.7 Ų62.766%0.65929%0.293SS*.Hα-helixtrans-70.4-35176-68.1-76.4000112.7H106 R111 T112H106-Y108 PolarHBondContact O-N 3.24Å; H106-Y108 VanDerWaalsContact O-N 3.13Å; Y108-R111 PolarHBondContact O-N 3.39Å; Y108-T112 PolarHBondContact O-N 3.02Å
109D93.1Very high93.6Very high71 Ų7164.8 Ų64.838%0.3830%0.304SS..Hα-helixtrans-67.2-46.5175.7-56.8-52.7000109.8H71 H106 R111 T112H71-D109 VanDerWaalsContact CE1-C 3.42Å; H71-D109 PolarHBondContact CE1-O 3.19Å; H106-D109 IonicContact CD2-OD2 2.76Å; H106-D109 PolarHBondContact CD2-OD2 3.05Å; H106-D109 IonicContact CG-OD2 2.66Å; H106-D109 WeakPolarHBondContact O-CB 3.3Å; H106-D109 PolarHBondContact O-N 3.11Å; D109-R111 VanDerWaalsContact C-N 3.27Å; D109-R111 PolarHBondContact O-N 3.3Å; D109-T112 WeakPolarHBondContact O-CB 3.38Å; D109-T112 PolarHBondContact O-N 3.36Å; D109-T112 PolarHBondContact O-OG1 3.36Å
110I94.3Very high93.3Very high0 Ų066.7 Ų66.70%031%0.314CS..Hα-helixtrans-55.2-43.9174.2-55.9173.1000110.6W67 L85 L88 H106 T112 L113 V134 V137 I138 I141W67-I110 HydrophobicContact CH2-CD1 4.02Å; W67-I110 HydrophobicContact CH2-CG1 4.29Å; W67-I110 HydrophobicContact CZ3-CD1 4.1Å; W67-I110 HydrophobicContact CZ3-CG1 3.86Å; L85-I110 HydrophobicContact CD2-CG2 4.46Å; L88-I110 HydrophobicContact CD2-CD1 3.99Å; H106-I110 PolarHBondContact O-N 2.94Å; I110-T112 PolarHBondContact O-N 3.38Å; I110-L113 WeakPolarHBondContact O-CB 3.48Å; I110-L113 PolarHBondContact O-N 2.82Å; I110-V134 HydrophobicContact CG2-CG1 4.19Å; I110-V137 HydrophobicContact CD1-CG1 4.27Å; I110-V137 HydrophobicContact CG2-CG1 4.27Å; I110-I138 HydrophobicContact CG2-CD1 4Å; I110-I138 HydrophobicContact CG2-CG1 3.71Å; I110-I141 HydrophobicContact CD1-CD1 3.52Å
111R93.9Very high93Very high85 Ų8574.1 Ų74.132%0.32135%0.348SS..Hα-helixtrans-60.2-26.7177.4-80175.9172.9170.81.8114.1I107 Y108 D109 L113 E114 I138I107-R111 WeakPolarHBondContact O-CG 3.39Å; I107-R111 PolarHBondContact O-N 3.4Å; Y108-R111 PolarHBondContact O-N 3.39Å; D109-R111 VanDerWaalsContact C-N 3.27Å; D109-R111 PolarHBondContact O-N 3.3Å; R111-L113 PolarHBondContact O-N 3.1Å; R111-E114 WeakPolarHBondContact O-CB 3.44Å; R111-E114 WeakPolarHBondContact O-CG 3.38Å; R111-E114 PolarHBondContact O-N 3.34Å; R111-E114 VanDerWaalsContact O-N 3.16Å; R111-I138 HydrophobicContact CG-CD1 3.66Å
112T92.4Very high92.7Very high75 Ų7576.7 Ų76.746%0.4637%0.365SS..Hα-helixtrans-59-31.3173.969.20000112.2Y108 D109 I110 E114 S115Y108-T112 PolarHBondContact O-N 3.02Å; D109-T112 WeakPolarHBondContact O-CB 3.38Å; D109-T112 PolarHBondContact O-N 3.36Å; D109-T112 PolarHBondContact O-OG1 3.36Å; I110-T112 PolarHBondContact O-N 3.38Å; T112-E114 VanDerWaalsContact C-N 3.31Å; T112-E114 PolarHBondContact O-N 3.1Å; T112-S115 PolarHBondContact O-N 2.93Å; T112-S115 PolarHBondContact O-OG 2.86Å
113L92.4Very high92.4Very high13 Ų1379 Ų797%0.06839%0.39CS..G310 helixtrans-77.8-11.2-177.6-54.7176000113.5M70 V81 L85 I110 R111 S115 F116 V134M70-L113 HydrophobicContact CG-CD1 3.79Å; M70-L113 HydrophobicContact SD-CD1 4.22Å; V81-L113 HydrophobicContact CG1-CD1 3.86Å; V81-L113 HydrophobicContact CG1-CD2 4.03Å; L85-L113 HydrophobicContact CD1-CD1 4.41Å; L85-L113 HydrophobicContact CD2-CD1 4.31Å; I110-L113 WeakPolarHBondContact O-CB 3.48Å; I110-L113 PolarHBondContact O-N 2.82Å; R111-L113 PolarHBondContact O-N 3.1Å; L113-S115 PolarHBondContact O-N 2.86Å; L113-F116 HydrophobicContact CD2-CD2 4.31Å; L113-F116 WeakPolarHBondContact O-CB 3.18Å; L113-F116 PolarHBondContact O-N 2.84Å; L113-V134 HydrophobicContact CB-CG1 4.4Å; L113-V134 HydrophobicContact CB-CG2 3.46Å; L113-V134 VanDerWaalsContact CB-CG2 3.46Å; L113-V134 HydrophobicContact CD1-CG2 4.35Å
114E92.8Very high92.2Very high89 Ų8983.5 Ų83.542%0.41641%0.409SS..G310 helixtrans-57.9-29.8169.1-66.4176.617400111.2R111 T112 R131 V134 I138R111-E114 WeakPolarHBondContact O-CB 3.44Å; R111-E114 WeakPolarHBondContact O-CG 3.38Å; R111-E114 PolarHBondContact O-N 3.34Å; R111-E114 VanDerWaalsContact O-N 3.16Å; T112-E114 VanDerWaalsContact C-N 3.31Å; T112-E114 PolarHBondContact O-N 3.1Å; E114-R131 WeakPolarHBondContact O-CD 3.44Å; E114-R131 WeakPolarHBondContact O-CG 3.42Å; E114-V134 HydrophobicContact CB-CG1 4.49Å; E114-V134 HydrophobicContact CG-CG1 3.65Å; E114-I138 HydrophobicContact CG-CD1 4.02Å; E114-I138 WeakPolarHBondContact OE1-CD1 3.1Å
115S91.5Very high92.1Very high89 Ų8981.4 Ų81.462%0.62240%0.4SS*.G310 helixtrans-87.5-0.9178.374.40000114.4T112 L113 R117T112-S115 PolarHBondContact O-N 2.93Å; T112-S115 PolarHBondContact O-OG 2.86Å; L113-S115 PolarHBondContact O-N 2.86Å; S115-R117 PolarHBondContact O-N 3.31Å
116F90.7Very high91.9Very high19 Ų1977.7 Ų77.78%0.08338%0.38CS..  trans-62.3130.3-169.7-172.1-85.8000112.6W78 V81 L113 V130 R131W78-F116 HydrophobicContact CB-CE1 3.76Å; W78-F116 HydrophobicContact CB-CZ 3.8Å; V81-F116 HydrophobicContact CG2-CE2 4.29Å; L113-F116 HydrophobicContact CD2-CD2 4.31Å; L113-F116 WeakPolarHBondContact O-CB 3.18Å; L113-F116 PolarHBondContact O-N 2.84Å; F116-V130 HydrophobicContact CB-CB 4.47Å; F116-V130 HydrophobicContact CB-CG1 4Å; F116-V130 HydrophobicContact CD1-CB 3.77Å; F116-V130 HydrophobicContact CD1-CG1 3.93Å; F116-V130 HydrophobicContact CD1-CG2 3.84Å; F116-V130 HydrophobicContact CE1-CB 4.35Å; F116-V130 HydrophobicContact CE1-CG2 3.89Å; F116-V130 HydrophobicContact CG-CB 4.26Å; F116-V130 HydrophobicContact CG-CG1 3.92Å; F116-R131 VanDerWaalsContact O-CD 3.25Å; F116-R131 WeakPolarHBondContact O-CD 3.45Å; F116-R131 WeakPolarHBondContact O-CG 3.23Å; F116-R131 PolarHBondContact O-NH1 3.39Å
117R90.1Very high91.7Very high186 Ų18674.9 Ų74.970%0.70237%0.367SS*.  trans-133.3129.4179-67.9178.4-175.5-133.3-0.8110S115S115-R117 PolarHBondContact O-N 3.31Å
118Y90.4Very high91.7Very high48 Ų4878 Ų7819%0.18838%0.382CS..  trans-146.5122.8171.4176.6-81.3000108F76 W78 D120 D125 Q126 G127F76-Y118 HydrophobicContact CB-CE2 4.29Å; F76-Y118 HydrophobicContact CD1-CE2 4.26Å; F76-Y118 WeakPolarHBondContact O-CE2 3.44Å; W78-Y118 HydrophobicContact CB-CD1 4.43Å; W78-Y118 HydrophobicContact CB-CD2 4.4Å; W78-Y118 HydrophobicContact CB-CG 4.09Å; W78-Y118 AromaticContact CD1-CD1 3.36Å; W78-Y118 AromaticContact CD1-CD2 3.94Å; W78-Y118 AromaticContact CD1-CE1 3.26Å; W78-Y118 AromaticContact CD1-CE2 3.86Å; W78-Y118 AromaticContact CD1-CG 3.71Å; W78-Y118 AromaticContact CD1-CZ 3.52Å; W78-Y118 AromaticContact CG-CD1 3.98Å; W78-Y118 HydrophobicContact CG-CD1 3.98Å; W78-Y118 HydrophobicContact CG-CE1 4.27Å; W78-Y118 HydrophobicContact CG-CG 4.11Å; W78-Y118 AromaticContact NE1-CD1 3.8Å; W78-Y118 AromaticContact NE1-CE1 3.41Å; W78-Y118 AromaticContact NE1-CZ 3.89Å; Y118-D120 HydrophobicContact CE1-CB 4.32Å; Y118-D125 CarbonylContact O-C 3.6Å; Y118-D125 WeakPolarHBondContact O-CA 3.44Å; Y118-Q126 HydrophobicContact CD1-CB 3.92Å; Y118-Q126 HydrophobicContact CD1-CG 4.12Å; Y118-Q126 HydrophobicContact CE1-CB 4.49Å; Y118-Q126 HydrophobicContact CE1-CG 4.27Å; Y118-Q126 PolarHBondContact O-N 2.84Å; Y118-G127 PolarHBondContact O-N 3.15Å
119F91.1Very high91.6Very high124 Ų12472.5 Ų72.554%0.54436%0.364SS..BIsolated β-bridgetrans-104130.1172-64.2-88.5000108.7K124 D125F119-K124 WeakPolarHBondContact CA-O 3.35Å; F119-D125 HydrophobicContact CD1-CB 3.95Å; F119-D125 HydrophobicContact CE1-CB 3.7Å; F119-D125 HydrophobicContact CZ-CB 4.38Å
120D88.3Confident91.6Very high40 Ų4069.1 Ų69.121%0.21435%0.346CS..  trans-71.9170.7177.8-141.6-35.5000111.8Y118 N122 G123 K124 Q126Y118-D120 HydrophobicContact CE1-CB 4.32Å; D120-N122 PolarHBondContact O-N 3.22Å; D120-N122 VanDerWaalsContact O-N 3.11Å; D120-G123 WeakPolarHBondContact O-CA 3.49Å; D120-G123 PolarHBondContact O-N 3.14Å; D120-K124 HydrophobicContact CB-CB 4.36Å; D120-K124 PolarHBondContact N-O 3.01Å; D120-Q126 HydrophobicContact CB-CG 4.04Å; D120-Q126 WeakPolarHBondContact OD2-CG 3.29Å; D120-Q126 PolarHBondContact OD2-NE2 3.47Å
121E89Confident91.7Very high194 Ų19471.1 Ų71.191%0.90735%0.354SS*.THydrogen-bonded Turntrans-57-28.6175.6-65.4178.8179.500112.2G123E121-G123 VanDerWaalsContact C-N 3.3Å; E121-G123 PolarHBondContact O-N 3.14Å
122N89.6Confident91.8Very high151 Ų15170.9 Ų70.981%0.80736%0.358SS*.THydrogen-bonded Turntrans-83.97174.5-55.1106.5000114.4D120 K124D120-N122 PolarHBondContact O-N 3.22Å; D120-N122 VanDerWaalsContact O-N 3.11Å; N122-K124 VanDerWaalsContact C-N 3.28Å; N122-K124 PolarHBondContact O-N 3.49Å
123G89.2Confident91.9Very high53 Ų5369.9 Ų69.955%0.54635%0.346SS..SBendtrans75.76.6-176.900000115.5D120 E121D120-G123 WeakPolarHBondContact O-CA 3.49Å; D120-G123 PolarHBondContact O-N 3.14Å; E121-G123 VanDerWaalsContact C-N 3.3Å; E121-G123 PolarHBondContact O-N 3.14Å
124K91.7Very high92.1Very high94 Ų9469.3 Ų69.341%0.40934%0.342SS..  trans-79128.8179.8-176.4178.1178.4179.90111.3F119 D120 N122 Q126F119-K124 WeakPolarHBondContact CA-O 3.35Å; D120-K124 HydrophobicContact CB-CB 4.36Å; D120-K124 PolarHBondContact N-O 3.01Å; N122-K124 VanDerWaalsContact C-N 3.28Å; N122-K124 PolarHBondContact O-N 3.49Å; K124-Q126 PolarHBondContact O-N 2.66Å
125D92.9Very high92.2Very high35 Ų3570.4 Ų70.419%0.18735%0.348CS..BIsolated β-bridgetrans-73.691.2173.7-174.43.9000111.3Y118 F119 G127 M128 R131Y118-D125 CarbonylContact O-C 3.6Å; Y118-D125 WeakPolarHBondContact O-CA 3.44Å; F119-D125 HydrophobicContact CD1-CB 3.95Å; F119-D125 HydrophobicContact CE1-CB 3.7Å; F119-D125 HydrophobicContact CZ-CB 4.38Å; D125-G127 WeakPolarHBondContact OD1-CA 3.35Å; D125-G127 PolarHBondContact OD1-N 2.82Å; D125-M128 WeakPolarHBondContact O-CB 3.48Å; D125-M128 PolarHBondContact O-N 2.98Å; D125-M128 PolarHBondContact OD1-N 3.16Å; D125-R131 IonicContact OD1-NH1 3.81Å; D125-R131 PolarHBondContact OD1-NH1 3.31Å; D125-R131 IonicContact OD2-CZ 3.43Å; D125-R131 VanDerWaalsContact OD2-CZ 3.31Å; D125-R131 IonicContact OD2-NH1 2.72Å; D125-R131 PolarHBondContact OD2-NH1 3.48Å; D125-R131 IonicContact OD2-NH2 3.97Å; D125-R131 PolarHBondContact OD2-NH2 3.1Å
126Q91.6Very high92.4Very high15 Ų1570.1 Ų70.17%0.0734%0.337CS..THydrogen-bonded Turntrans-74.2-17.9171.1-49.8-73.218.400111.6W78 Y118 D120 K124 M128 N129W78-Q126 HydrophobicContact CD2-CB 3.65Å; W78-Q126 HydrophobicContact CD2-CG 4.39Å; W78-Q126 HydrophobicContact CE3-CB 3.96Å; W78-Q126 HydrophobicContact CG-CB 4.18Å; W78-Q126 HydrophobicContact CH2-CB 4.02Å; W78-Q126 HydrophobicContact CH2-CG 4.24Å; W78-Q126 HydrophobicContact CZ2-CB 3.71Å; W78-Q126 HydrophobicContact CZ2-CG 3.64Å; W78-Q126 HydrophobicContact CZ3-CB 4.15Å; Y118-Q126 HydrophobicContact CD1-CB 3.92Å; Y118-Q126 HydrophobicContact CD1-CG 4.12Å; Y118-Q126 HydrophobicContact CE1-CB 4.49Å; Y118-Q126 HydrophobicContact CE1-CG 4.27Å; Y118-Q126 PolarHBondContact O-N 2.84Å; D120-Q126 HydrophobicContact CB-CG 4.04Å; D120-Q126 WeakPolarHBondContact OD2-CG 3.29Å; D120-Q126 PolarHBondContact OD2-NE2 3.47Å; K124-Q126 PolarHBondContact O-N 2.66Å; Q126-M128 PolarHBondContact O-N 3.08Å; Q126-N129 WeakPolarHBondContact O-CB 3.36Å; Q126-N129 PolarHBondContact O-N 2.85Å; Q126-N129 PolarHBondContact O-ND2 3.11Å; Q126-N129 PolarHBondContact OE1-ND2 2.91Å
127G91.8Very high92.7Very high0 Ų069.2 Ų69.20%033%0.333CS..Hα-helixtrans-63.7-25172.700000113.1Y118 D125 N129 V130 R131Y118-G127 PolarHBondContact O-N 3.15Å; D125-G127 WeakPolarHBondContact OD1-CA 3.35Å; D125-G127 PolarHBondContact OD1-N 2.82Å; G127-N129 VanDerWaalsContact C-N 3.27Å; G127-N129 PolarHBondContact O-N 2.98Å; G127-V130 WeakPolarHBondContact O-CB 3.43Å; G127-V130 PolarHBondContact O-N 2.92Å; G127-V130 VanDerWaalsContact O-N 3.1Å; G127-R131 WeakPolarHBondContact O-CG 3.37Å; G127-R131 PolarHBondContact O-N 3.39Å
128M93.7Very high93Very high89 Ų8960.7 Ų60.744%0.43830%0.301SS..Hα-helixtrans-55.2-42.7171.8-172.267.887.400111.9D125 Q126 V130 R131 I132D125-M128 WeakPolarHBondContact O-CB 3.48Å; D125-M128 PolarHBondContact O-N 2.98Å; D125-M128 PolarHBondContact OD1-N 3.16Å; Q126-M128 PolarHBondContact O-N 3.08Å; M128-V130 VanDerWaalsContact C-N 3.26Å; M128-V130 PolarHBondContact O-N 3.42Å; M128-R131 PolarHBondContact O-N 2.87Å; M128-R131 PolarHBondContact SD-NH2 3.01Å; M128-I132 HydrophobicContact CG-CD1 3.91Å; M128-I132 HydrophobicContact CG-CG1 4.47Å; M128-I132 WeakPolarHBondContact O-CG1 3.33Å; M128-I132 PolarHBondContact O-N 3.34Å; M128-I132 HydrophobicContact SD-CD1 4.44Å
129N92.9Very high93.3Very high53 Ų5362.2 Ų62.228%0.28331%0.312SS..Hα-helixtrans-62.4-35.3178.9-50.6-35.6000111.6Y82 Q126 G127 R133Y82-N129 HydrophobicContact CD2-CB 4.18Å; Y82-N129 HydrophobicContact CE2-CB 4.11Å; Y82-N129 WeakPolarHBondContact CE2-O 3.25Å; Q126-N129 WeakPolarHBondContact O-CB 3.36Å; Q126-N129 PolarHBondContact O-N 2.85Å; Q126-N129 PolarHBondContact O-ND2 3.11Å; Q126-N129 PolarHBondContact OE1-ND2 2.91Å; G127-N129 VanDerWaalsContact C-N 3.27Å; G127-N129 PolarHBondContact O-N 2.98Å; N129-R133 WeakPolarHBondContact O-CB 3.35Å; N129-R133 PolarHBondContact O-N 3.11Å
130V93.6Very high93.5Very high0 Ų056.7 Ų56.70%029%0.288CS..Hα-helixtrans-67.8-51.3174.1179.70000109.9V81 L85 F116 G127 M128 I132 R133 V134V81-V130 HydrophobicContact CG1-CG1 3.86Å; L85-V130 HydrophobicContact CD1-CG1 3.9Å; F116-V130 HydrophobicContact CB-CB 4.47Å; F116-V130 HydrophobicContact CB-CG1 4Å; F116-V130 HydrophobicContact CD1-CB 3.77Å; F116-V130 HydrophobicContact CD1-CG1 3.93Å; F116-V130 HydrophobicContact CD1-CG2 3.84Å; F116-V130 HydrophobicContact CE1-CB 4.35Å; F116-V130 HydrophobicContact CE1-CG2 3.89Å; F116-V130 HydrophobicContact CG-CB 4.26Å; F116-V130 HydrophobicContact CG-CG1 3.92Å; G127-V130 WeakPolarHBondContact O-CB 3.43Å; G127-V130 PolarHBondContact O-N 2.92Å; G127-V130 VanDerWaalsContact O-N 3.1Å; M128-V130 VanDerWaalsContact C-N 3.26Å; M128-V130 PolarHBondContact O-N 3.42Å; V130-I132 PolarHBondContact O-N 3.42Å; V130-R133 PolarHBondContact O-N 2.85Å; V130-R133 VanDerWaalsContact O-N 3.12Å; V130-V134 HydrophobicContact CG1-CG2 4.12Å; V130-V134 VanDerWaalsContact O-CG2 3.24Å; V130-V134 WeakPolarHBondContact O-CG2 3.44Å; V130-V134 PolarHBondContact O-N 3.01Å
131R95.2Very high93.8Very high42 Ų4255 Ų5516%0.15828%0.279CS..Hα-helixtrans-59.8-43.1-176.6-64.8-172.9-56.8-94.25.9113E114 F116 D125 G127 M128 V134 Q135E114-R131 WeakPolarHBondContact O-CD 3.44Å; E114-R131 WeakPolarHBondContact O-CG 3.42Å; F116-R131 VanDerWaalsContact O-CD 3.25Å; F116-R131 WeakPolarHBondContact O-CD 3.45Å; F116-R131 WeakPolarHBondContact O-CG 3.23Å; F116-R131 PolarHBondContact O-NH1 3.39Å; D125-R131 IonicContact OD1-NH1 3.81Å; D125-R131 PolarHBondContact OD1-NH1 3.31Å; D125-R131 IonicContact OD2-CZ 3.43Å; D125-R131 VanDerWaalsContact OD2-CZ 3.31Å; D125-R131 IonicContact OD2-NH1 2.72Å; D125-R131 PolarHBondContact OD2-NH1 3.48Å; D125-R131 IonicContact OD2-NH2 3.97Å; D125-R131 PolarHBondContact OD2-NH2 3.1Å; G127-R131 WeakPolarHBondContact O-CG 3.37Å; G127-R131 PolarHBondContact O-N 3.39Å; M128-R131 PolarHBondContact O-N 2.87Å; M128-R131 PolarHBondContact SD-NH2 3.01Å; R131-V134 PolarHBondContact O-N 3.35Å; R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 2.89Å; R131-Q135 VanDerWaalsContact O-N 3.15Å
132I96.1Very high94.1Very high80 Ų8051.1 Ų51.141%0.4126%0.261SS..Hα-helixtrans-60.4-48.1174.8-65.6167.1000110.1M128 V130 V134 Q135 E136M128-I132 HydrophobicContact CG-CD1 3.91Å; M128-I132 HydrophobicContact CG-CG1 4.47Å; M128-I132 WeakPolarHBondContact O-CG1 3.33Å; M128-I132 PolarHBondContact O-N 3.34Å; M128-I132 HydrophobicContact SD-CD1 4.44Å; V130-I132 PolarHBondContact O-N 3.42Å; I132-V134 VanDerWaalsContact C-N 3.3Å; I132-V134 PolarHBondContact O-N 2.88Å; I132-Q135 WeakPolarHBondContact O-CB 3.43Å; I132-Q135 PolarHBondContact O-N 3.4Å; I132-Q135 VanDerWaalsContact O-N 3.17Å; I132-E136 PolarHBondContact O-N 2.68Å; I132-E136 VanDerWaalsContact O-N 3.1Å
133R94.7Very high94.3Very high54 Ų5447.2 Ų47.220%0.20424%0.24CC..Hα-helixtrans-67.7-28.8-179.1-168.251.8164.1-138.4-8.9113.5Y82 L85 T89 N129 V130 E136 V137Y82-R133 HydrophobicContact CD2-CB 4.32Å; Y82-R133 HydrophobicContact CE2-CB 4.08Å; Y82-R133 HydrophobicContact CE2-CG 4.37Å; L85-R133 HydrophobicContact CB-CG 3.87Å; T89-R133 PolarHBondContact OG1-NE 2.94Å; T89-R133 PolarHBondContact OG1-NH2 3.29Å; N129-R133 WeakPolarHBondContact O-CB 3.35Å; N129-R133 PolarHBondContact O-N 3.11Å; V130-R133 PolarHBondContact O-N 2.85Å; V130-R133 VanDerWaalsContact O-N 3.12Å; R133-E136 WeakPolarHBondContact CD-OE2 3.32Å; R133-E136 IonicContact CZ-OE2 3.31Å; R133-E136 IonicContact NE-OE2 3.09Å; R133-E136 PolarHBondContact NE-OE2 2.62Å; R133-E136 IonicContact NH1-OE2 2.69Å; R133-E136 PolarHBondContact NH1-OE2 3.27Å; R133-V137 WeakPolarHBondContact O-CB 3.18Å; R133-V137 VanDerWaalsContact O-CG2 3.29Å; R133-V137 WeakPolarHBondContact O-CG2 3.24Å; R133-V137 PolarHBondContact O-N 3.09Å; R133-V137 VanDerWaalsContact O-N 3.14Å
134V96.4Very high94.5Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-64.4-45.7171.8168.90000110.6L85 I110 L113 E114 V130 R131 I132 V137 I138L85-V134 HydrophobicContact CD1-CG2 3.57Å; L85-V134 HydrophobicContact CD2-CG2 4.11Å; I110-V134 HydrophobicContact CG2-CG1 4.19Å; L113-V134 HydrophobicContact CB-CG1 4.4Å; L113-V134 HydrophobicContact CB-CG2 3.46Å; L113-V134 VanDerWaalsContact CB-CG2 3.46Å; L113-V134 HydrophobicContact CD1-CG2 4.35Å; E114-V134 HydrophobicContact CB-CG1 4.49Å; E114-V134 HydrophobicContact CG-CG1 3.65Å; V130-V134 HydrophobicContact CG1-CG2 4.12Å; V130-V134 VanDerWaalsContact O-CG2 3.24Å; V130-V134 WeakPolarHBondContact O-CG2 3.44Å; V130-V134 PolarHBondContact O-N 3.01Å; R131-V134 PolarHBondContact O-N 3.35Å; I132-V134 VanDerWaalsContact C-N 3.3Å; I132-V134 PolarHBondContact O-N 2.88Å; V134-V137 PolarHBondContact O-N 2.91Å; V134-I138 HydrophobicContact CG1-CD1 3.53Å; V134-I138 HydrophobicContact CG1-CG1 4.29Å; V134-I138 WeakPolarHBondContact O-CB 3.26Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.44Å; V134-I138 PolarHBondContact O-N 3.28Å
135Q96.4Very high94.6Very high112 Ų11250 Ų5052%0.52325%0.25SC..Hα-helixtrans-60.8-48.1177.1-69.6172.3-28.800111.4R131 I132 V137 I138 D139R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 2.89Å; R131-Q135 VanDerWaalsContact O-N 3.15Å; I132-Q135 WeakPolarHBondContact O-CB 3.43Å; I132-Q135 PolarHBondContact O-N 3.4Å; I132-Q135 VanDerWaalsContact O-N 3.17Å; Q135-V137 VanDerWaalsContact C-N 3.29Å; Q135-V137 PolarHBondContact O-N 3.34Å; Q135-I138 PolarHBondContact O-N 3.2Å; Q135-D139 WeakPolarHBondContact O-CB 3.49Å; Q135-D139 PolarHBondContact O-N 3.09Å
136E95.8Very high94.7Very high84 Ų8452.4 Ų52.439%0.39326%0.258SS..Hα-helixtrans-55-41.2175.1-69.2177.2-175.800113.5I132 R133 L140I132-E136 PolarHBondContact O-N 2.68Å; I132-E136 VanDerWaalsContact O-N 3.1Å; R133-E136 WeakPolarHBondContact CD-OE2 3.32Å; R133-E136 IonicContact CZ-OE2 3.31Å; R133-E136 IonicContact NE-OE2 3.09Å; R133-E136 PolarHBondContact NE-OE2 2.62Å; R133-E136 IonicContact NH1-OE2 2.69Å; R133-E136 PolarHBondContact NH1-OE2 3.27Å; E136-L140 VanDerWaalsContact O-CB 3.29Å; E136-L140 WeakPolarHBondContact O-CB 3.32Å; E136-L140 PolarHBondContact O-N 3.35Å
137V96.2Very high94.8Very high0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-71.2-42.5179165.90000111.1L85 L88 T89 I110 R133 V134 Q135 L140 I141L85-V137 HydrophobicContact CD2-CG2 4.5Å; L88-V137 HydrophobicContact CD2-CG1 3.99Å; L88-V137 HydrophobicContact CG-CG1 4.49Å; T89-V137 WeakPolarHBondContact OG1-CG2 3.44Å; I110-V137 HydrophobicContact CD1-CG1 4.27Å; I110-V137 HydrophobicContact CG2-CG1 4.27Å; R133-V137 WeakPolarHBondContact O-CB 3.18Å; R133-V137 VanDerWaalsContact O-CG2 3.29Å; R133-V137 WeakPolarHBondContact O-CG2 3.24Å; R133-V137 PolarHBondContact O-N 3.09Å; R133-V137 VanDerWaalsContact O-N 3.14Å; V134-V137 PolarHBondContact O-N 2.91Å; Q135-V137 VanDerWaalsContact C-N 3.29Å; Q135-V137 PolarHBondContact O-N 3.34Å; V137-L140 PolarHBondContact O-N 2.97Å; V137-I141 HydrophobicContact CG1-CD1 3.63Å; V137-I141 HydrophobicContact CG1-CG1 4.49Å; V137-I141 WeakPolarHBondContact O-CD1 3.41Å; V137-I141 VanDerWaalsContact O-CG1 3.25Å; V137-I141 WeakPolarHBondContact O-CG1 3.47Å; V137-I141 PolarHBondContact O-N 3.3Å
138I96.4Very high94.9Very high6 Ų657.9 Ų57.93%0.03128%0.284CS..Hα-helixtrans-66.3-41.3179.8-74.4174.9000111.4I110 R111 E114 V134 Q135 L140 I141 Q142I110-I138 HydrophobicContact CG2-CD1 4Å; I110-I138 HydrophobicContact CG2-CG1 3.71Å; R111-I138 HydrophobicContact CG-CD1 3.66Å; E114-I138 HydrophobicContact CG-CD1 4.02Å; E114-I138 WeakPolarHBondContact OE1-CD1 3.1Å; V134-I138 HydrophobicContact CG1-CD1 3.53Å; V134-I138 HydrophobicContact CG1-CG1 4.29Å; V134-I138 WeakPolarHBondContact O-CB 3.26Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.44Å; V134-I138 PolarHBondContact O-N 3.28Å; Q135-I138 PolarHBondContact O-N 3.2Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-I141 PolarHBondContact O-N 3.2Å; I138-Q142 WeakPolarHBondContact O-CG 3.18Å; I138-Q142 PolarHBondContact O-N 2.89Å; I138-Q142 VanDerWaalsContact O-N 3.09Å
139D95.8Very high95Very high81 Ų8158.7 Ų58.743%0.43329%0.287SS..Hα-helixtrans-58.9-45.3172.2-80.56.5000111.3Q135 I141 Q142 D143 K146Q135-D139 WeakPolarHBondContact O-CB 3.49Å; Q135-D139 PolarHBondContact O-N 3.09Å; D139-I141 VanDerWaalsContact C-N 3.29Å; D139-I141 PolarHBondContact O-N 3.12Å; D139-Q142 PolarHBondContact O-N 3.14Å; D139-D143 WeakPolarHBondContact O-CB 3.22Å; D139-D143 PolarHBondContact O-N 2.93Å; D139-K146 IonicContact OD2-NZ 3.43Å
140L95.6Very high95Very high7 Ų758.4 Ų58.44%0.03728%0.284CS..Hα-helixtrans-70.6-21.7-178.5-174.664.5000113.4T89 L92 K93 E136 V137 I138 L147T89-L140 HydrophobicContact CG2-CD2 4.13Å; L92-L140 HydrophobicContact CB-CD2 4.3Å; L92-L140 HydrophobicContact CD1-CD2 4.33Å; K93-L140 HydrophobicContact CG-CD2 4.2Å; E136-L140 VanDerWaalsContact O-CB 3.29Å; E136-L140 WeakPolarHBondContact O-CB 3.32Å; E136-L140 PolarHBondContact O-N 3.35Å; V137-L140 PolarHBondContact O-N 2.97Å; I138-L140 VanDerWaalsContact C-N 3.33Å; L140-L147 HydrophobicContact CD1-CB 3.98Å; L140-L147 HydrophobicContact CD1-CD1 3.78Å; L140-L147 HydrophobicContact CD1-CG 4.47Å; L140-L147 HydrophobicContact CD2-CD1 4.46Å; L140-L147 HydrophobicContact CG-CD1 3.96Å
141I95.7Very high95Very high4 Ų460 Ų602%0.02129%0.29CS..Hα-helixtrans-85.1-33.7175-69.3163.5000111.5L92 A103 Q104 I107 I110 V137 I138 D139L92-I141 HydrophobicContact CD1-CD1 4.25Å; L92-I141 HydrophobicContact CD1-CG1 3.81Å; L92-I141 HydrophobicContact CD2-CG1 4.48Å; A103-I141 HydrophobicContact CB-CD1 3.82Å; A103-I141 HydrophobicContact CB-CG1 4.12Å; Q104-I141 HydrophobicContact CG-CG2 3.64Å; I107-I141 HydrophobicContact CD1-CG2 4.05Å; I110-I141 HydrophobicContact CD1-CD1 3.52Å; V137-I141 HydrophobicContact CG1-CD1 3.63Å; V137-I141 HydrophobicContact CG1-CG1 4.49Å; V137-I141 WeakPolarHBondContact O-CD1 3.41Å; V137-I141 VanDerWaalsContact O-CG1 3.25Å; V137-I141 WeakPolarHBondContact O-CG1 3.47Å; V137-I141 PolarHBondContact O-N 3.3Å; I138-I141 PolarHBondContact O-N 3.2Å; D139-I141 VanDerWaalsContact C-N 3.29Å; D139-I141 PolarHBondContact O-N 3.12Å
142Q95Very high94.9Very high113 Ų11363.4 Ų63.453%0.52831%0.308SS..Hα-helixtrans-81.1-39.6179.5-72.6-178.178.600112.8I107 I138 D139 S144I107-Q142 HydrophobicContact CD1-CG 4.11Å; I138-Q142 WeakPolarHBondContact O-CG 3.18Å; I138-Q142 PolarHBondContact O-N 2.89Å; I138-Q142 VanDerWaalsContact O-N 3.09Å; D139-Q142 PolarHBondContact O-N 3.14Å; Q142-S144 PolarHBondContact O-N 2.95Å
143D94.4Very high94.7Very high70 Ų7065.7 Ų65.737%0.37432%0.315SS..  trans-88.992.9179.1-172-18.8000111.1D139 E145 K146 L147D139-D143 WeakPolarHBondContact O-CB 3.22Å; D139-D143 PolarHBondContact O-N 2.93Å; D143-E145 VanDerWaalsContact C-N 3.28Å; D143-E145 PolarHBondContact O-N 3.18Å; D143-E145 PolarHBondContact OD1-N 3.09Å; D143-E145 VanDerWaalsContact OD1-N 3.13Å; D143-K146 HydrophobicContact CB-CB 3.88Å; D143-K146 HydrophobicContact CB-CD 4.12Å; D143-K146 WeakPolarHBondContact OD1-CB 3.45Å; D143-K146 PolarHBondContact OD1-N 3.13Å; D143-K146 WeakPolarHBondContact OD2-CB 3.45Å; D143-K146 WeakPolarHBondContact OD2-CD 3.15Å; D143-L147 WeakPolarHBondContact O-CB 3.25Å; D143-L147 PolarHBondContact O-N 2.78Å
144S92.3Very high94.4Very high82 Ų8263.9 Ų63.957%0.57331%0.311SS*.Hα-helixtrans-66.7-26.5179.656.40000113.5Q142 Q148Q142-S144 PolarHBondContact O-N 2.95Å; S144-Q148 VanDerWaalsContact O-CB 3.31Å; S144-Q148 WeakPolarHBondContact O-CB 3.29Å; S144-Q148 PolarHBondContact O-N 3.07Å
145E94.3Very high94Very high124 Ų12469.3 Ų69.358%0.57934%0.335SS*.Hα-helixtrans-76.2-51.2178.9-161.6-166.5138.800110.5D143 L147 Q148 Q149D143-E145 VanDerWaalsContact C-N 3.28Å; D143-E145 PolarHBondContact O-N 3.18Å; D143-E145 PolarHBondContact OD1-N 3.09Å; D143-E145 VanDerWaalsContact OD1-N 3.13Å; E145-L147 PolarHBondContact O-N 3.19Å; E145-Q148 CarbonylContact O-C 3.56Å; E145-Q148 WeakPolarHBondContact O-CA 3.47Å; E145-Q148 PolarHBondContact O-N 3Å; E145-Q149 WeakPolarHBondContact O-CG 3.42Å; E145-Q149 PolarHBondContact O-N 2.98Å; E145-Q149 PolarHBondContact OE1-NE2 3.23Å
146K94Very high93.5Very high85 Ų8566.8 Ų66.837%0.3733%0.333SS..Hα-helixtrans-54.3-41173179.3-178.1-178.6-178.20111.7D139 D143 Q149 E150D139-K146 IonicContact OD2-NZ 3.43Å; D143-K146 HydrophobicContact CB-CB 3.88Å; D143-K146 HydrophobicContact CB-CD 4.12Å; D143-K146 WeakPolarHBondContact OD1-CB 3.45Å; D143-K146 PolarHBondContact OD1-N 3.13Å; D143-K146 WeakPolarHBondContact OD2-CB 3.45Å; D143-K146 WeakPolarHBondContact OD2-CD 3.15Å; K146-Q149 PolarHBondContact O-N 3.4Å; K146-E150 WeakPolarHBondContact O-CB 3.31Å; K146-E150 PolarHBondContact O-N 3.43Å
147L94.6Very high92.7Very high4 Ų465.1 Ų65.12%0.02133%0.33CS..Hα-helixtrans-64.7-44.3172.717959.7000112.4L92 L100 L140 D143 E145 Q149 E150 R151L92-L147 HydrophobicContact CB-CD1 4.19Å; L100-L147 HydrophobicContact CD1-CD2 3.45Å; L100-L147 VanDerWaalsContact CD1-CD2 3.45Å; L100-L147 HydrophobicContact CD2-CD2 3.65Å; L100-L147 HydrophobicContact CG-CD2 4.06Å; L140-L147 HydrophobicContact CD1-CB 3.98Å; L140-L147 HydrophobicContact CD1-CD1 3.78Å; L140-L147 HydrophobicContact CD1-CG 4.47Å; L140-L147 HydrophobicContact CD2-CD1 4.46Å; L140-L147 HydrophobicContact CG-CD1 3.96Å; D143-L147 WeakPolarHBondContact O-CB 3.25Å; D143-L147 PolarHBondContact O-N 2.78Å; E145-L147 PolarHBondContact O-N 3.19Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 3.31Å; L147-E150 PolarHBondContact O-N 3.28Å; L147-R151 HydrophobicContact CD1-CG 3.95Å; L147-R151 HydrophobicContact CG-CG 4.39Å; L147-R151 WeakPolarHBondContact O-CB 3.36Å; L147-R151 VanDerWaalsContact O-CG 3.25Å; L147-R151 WeakPolarHBondContact O-CG 3.38Å; L147-R151 PolarHBondContact O-N 2.82Å
148Q94Very high91.5Very high126 Ų12668.1 Ų68.159%0.58934%0.342SS*.Hα-helixtrans-65-36.7177.9-172178.6-16.600112.1S144 E145 Q152S144-Q148 VanDerWaalsContact O-CB 3.31Å; S144-Q148 WeakPolarHBondContact O-CB 3.29Å; S144-Q148 PolarHBondContact O-N 3.07Å; E145-Q148 CarbonylContact O-C 3.56Å; E145-Q148 WeakPolarHBondContact O-CA 3.47Å; E145-Q148 PolarHBondContact O-N 3Å; Q148-Q152 VanDerWaalsContact O-CG 3.32Å; Q148-Q152 WeakPolarHBondContact O-CG 3.43Å; Q148-Q152 PolarHBondContact O-N 2.98Å; Q148-Q152 PolarHBondContact O-NE2 3.17Å
149Q94.6Very high90Very high105 Ų10575.3 Ų75.349%0.49138%0.375SS..Hα-helixtrans-64.5-50.3173.2-67175.916.900111.1E145 K146 L147 R151 Q152 K153E145-Q149 WeakPolarHBondContact O-CG 3.42Å; E145-Q149 PolarHBondContact O-N 2.98Å; E145-Q149 PolarHBondContact OE1-NE2 3.23Å; K146-Q149 PolarHBondContact O-N 3.4Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 3.31Å; Q149-R151 VanDerWaalsContact C-N 3.33Å; Q149-R151 PolarHBondContact O-N 2.85Å; Q149-Q152 WeakPolarHBondContact O-CB 3.38Å; Q149-Q152 PolarHBondContact O-N 3.33Å; Q149-Q152 VanDerWaalsContact O-N 3.13Å; Q149-K153 PolarHBondContact O-N 3.31Å
150E93.8Very high88.6Confident48 Ų4875.6 Ų75.622%0.22438%0.375CS..Hα-helixtrans-64.1-34.5178-79.9-77.8118.300112.8K93 K146 L147 K153 A154K93-E150 HydrophobicContact CD-CB 4.28Å; K93-E150 WeakPolarHBondContact CD-OE2 3.45Å; K93-E150 VanDerWaalsContact CE-OE2 3.23Å; K93-E150 WeakPolarHBondContact CE-OE2 3.19Å; K93-E150 HydrophobicContact CG-CB 4.28Å; K93-E150 IonicContact NZ-OE2 3.87Å; K93-E150 PolarHBondContact NZ-OE2 3.21Å; K146-E150 WeakPolarHBondContact O-CB 3.31Å; K146-E150 PolarHBondContact O-N 3.43Å; L147-E150 PolarHBondContact O-N 3.28Å; E150-K153 PolarHBondContact O-N 3.05Å; E150-K153 VanDerWaalsContact OE1-CD 3.29Å; E150-K153 WeakPolarHBondContact OE1-CD 3.02Å; E150-K153 IonicContact OE1-NZ 3.35Å; E150-K153 PolarHBondContact OE1-NZ 2.94Å; E150-A154 VanDerWaalsContact O-CB 3.31Å; E150-A154 WeakPolarHBondContact O-CB 3.5Å; E150-A154 PolarHBondContact O-N 3.24Å
151R94.7Very high86.9Confident32 Ų3284.2 Ų84.212%0.12141%0.409CS..Hα-helixtrans-70.1-30.6173.2-70.6178.290.3-147.6-0.7112.7L92 G95 D97 L147 Q149 K155L92-R151 WeakPolarHBondContact O-CD 3.45Å; L92-R151 WeakPolarHBondContact O-CG 3.23Å; L92-R151 PolarHBondContact O-NE 2.98Å; L92-R151 VanDerWaalsContact O-NE 3.13Å; G95-R151 PolarHBondContact O-NH2 3.48Å; D97-R151 IonicContact OD1-CZ 2.62Å; D97-R151 IonicContact OD1-NH1 3.67Å; D97-R151 PolarHBondContact OD1-NH1 3.16Å; D97-R151 IonicContact OD1-NH2 3.49Å; D97-R151 PolarHBondContact OD1-NH2 3.42Å; L147-R151 HydrophobicContact CD1-CG 3.95Å; L147-R151 HydrophobicContact CG-CG 4.39Å; L147-R151 WeakPolarHBondContact O-CB 3.36Å; L147-R151 VanDerWaalsContact O-CG 3.25Å; L147-R151 WeakPolarHBondContact O-CG 3.38Å; L147-R151 PolarHBondContact O-N 2.82Å; Q149-R151 VanDerWaalsContact C-N 3.33Å; Q149-R151 PolarHBondContact O-N 2.85Å; R151-K155 WeakPolarHBondContact O-CB 3.34Å; R151-K155 WeakPolarHBondContact O-CD 3.48Å; R151-K155 VanDerWaalsContact O-CG 3.22Å; R151-K155 WeakPolarHBondContact O-CG 3.22Å; R151-K155 PolarHBondContact O-N 3.47Å
152Q92.3Very high85.4Confident115 Ų11589.6 Ų89.654%0.53744%0.442SS..Hα-helixtrans-69.5-47.3171-77173.579.600111.3Q148 Q149 A154 K155 A156Q148-Q152 VanDerWaalsContact O-CG 3.32Å; Q148-Q152 WeakPolarHBondContact O-CG 3.43Å; Q148-Q152 PolarHBondContact O-N 2.98Å; Q148-Q152 PolarHBondContact O-NE2 3.17Å; Q149-Q152 WeakPolarHBondContact O-CB 3.38Å; Q149-Q152 PolarHBondContact O-N 3.33Å; Q149-Q152 VanDerWaalsContact O-N 3.13Å; Q152-A154 PolarHBondContact O-N 3.45Å; Q152-K155 PolarHBondContact O-N 2.88Å; Q152-A156 PolarHBondContact O-N 3.47Å
153K91.6Very high83.5Confident128 Ų12886.9 Ų86.956%0.55744%0.444SS*.Hα-helixtrans-57.2-47.1175.6-175.5178.7171.8-172.20111.8Q149 E150 K155 A156 S157Q149-K153 PolarHBondContact O-N 3.31Å; E150-K153 PolarHBondContact O-N 3.05Å; E150-K153 VanDerWaalsContact OE1-CD 3.29Å; E150-K153 WeakPolarHBondContact OE1-CD 3.02Å; E150-K153 IonicContact OE1-NZ 3.35Å; E150-K153 PolarHBondContact OE1-NZ 2.94Å; K153-K155 PolarHBondContact O-N 3.19Å; K153-A156 PolarHBondContact O-N 3.38Å; K153-S157 PolarHBondContact O-N 3.11Å; K153-S157 PolarHBondContact O-OG 2.91Å; K153-S157 VanDerWaalsContact O-OG 3.11Å
154A88.6Confident81.5Confident15 Ų1592.6 Ų92.612%0.12446%0.462CS..Hα-helixtrans-61-41.7175.900000113K93 E150 Q152 S157 R158K93-A154 WeakPolarHBondContact O-CB 3.45Å; E150-A154 VanDerWaalsContact O-CB 3.31Å; E150-A154 WeakPolarHBondContact O-CB 3.5Å; E150-A154 PolarHBondContact O-N 3.24Å; Q152-A154 PolarHBondContact O-N 3.45Å; A154-S157 PolarHBondContact O-N 3.4Å; A154-R158 PolarHBondContact O-N 3.38Å
155K87.2Confident79.3Confident115 Ų11591.1 Ų91.150%0.546%0.46SS..Hα-helixtrans-61.9-44.7174.1-75.2169.3-176.91790111.7R151 Q152 K153 R158 H159R151-K155 WeakPolarHBondContact O-CB 3.34Å; R151-K155 WeakPolarHBondContact O-CD 3.48Å; R151-K155 VanDerWaalsContact O-CG 3.22Å; R151-K155 WeakPolarHBondContact O-CG 3.22Å; R151-K155 PolarHBondContact O-N 3.47Å; Q152-K155 PolarHBondContact O-N 2.88Å; K153-K155 PolarHBondContact O-N 3.19Å; K155-R158 PolarHBondContact O-N 2.87Å; K155-H159 PolarHBondContact O-CD2 3.12Å; K155-H159 VanDerWaalsContact O-CD2 3.27Å
156A86.7Confident76.8Confident59 Ų5992.7 Ų92.749%0.48847%0.472SS..Hα-helixtrans-60.3-47.9175.800000111.7Q152 K153 R158 H159Q152-A156 PolarHBondContact O-N 3.47Å; K153-A156 PolarHBondContact O-N 3.38Å; A156-R158 VanDerWaalsContact C-N 3.32Å; A156-R158 PolarHBondContact O-N 2.96Å; A156-H159 PolarHBondContact O-N 3.37Å
157S78.2Confident74.6Confident48 Ų4894.3 Ų94.334%0.33649%0.489SS..Hα-helixtrans-60.9-36.3177-56.70000113.3K153 A154 H159 I160 Y161K153-S157 PolarHBondContact O-N 3.11Å; K153-S157 PolarHBondContact O-OG 2.91Å; K153-S157 VanDerWaalsContact O-OG 3.11Å; A154-S157 PolarHBondContact O-N 3.4Å; S157-H159 VanDerWaalsContact C-N 3.33Å; S157-H159 PolarHBondContact O-N 3.5Å; S157-I160 WeakPolarHBondContact O-CB 3.48Å; S157-I160 PolarHBondContact O-N 2.9Å; S157-Y161 VanDerWaalsContact O-CD2 3.25Å; S157-Y161 WeakPolarHBondContact O-CD2 3.48Å; S157-Y161 PolarHBondContact O-N 3.24Å
158R72.4Confident72.3Confident64 Ų64101.3 Ų101.324%0.24253%0.527CS..Hα-helixtrans-59-42.6179.8-169.9177.8-64.2176.47.3112N94 A154 K155 A156 I160 T162N94-R158 PolarHBondContact O-NH2 3.43Å; N94-R158 PolarHBondContact OD1-NH2 3.48Å; A154-R158 PolarHBondContact O-N 3.38Å; K155-R158 PolarHBondContact O-N 2.87Å; A156-R158 VanDerWaalsContact C-N 3.32Å; A156-R158 PolarHBondContact O-N 2.96Å; R158-I160 VanDerWaalsContact C-N 3.3Å; R158-I160 PolarHBondContact O-N 3.06Å; R158-T162 PolarHBondContact O-N 2.99Å; R158-T162 PolarHBondContact O-OG1 3.33Å
159H63.7Low70.2Confident156 Ų156101.6 Ų101.672%0.72253%0.532SS*.Hα-helixtrans-65.6-30.6179.1-73.8-70.5000113.6K155 A156 S157K155-H159 PolarHBondContact O-CD2 3.12Å; K155-H159 VanDerWaalsContact O-CD2 3.27Å; A156-H159 PolarHBondContact O-N 3.37Å; S157-H159 VanDerWaalsContact C-N 3.33Å; S157-H159 PolarHBondContact O-N 3.5Å
160I67.1Low68Low88 Ų88104.6 Ų104.645%0.45155%0.551SS.*Hα-helixtrans-65.1-58.9176.5-60.3175.7000109.3S157 R158 T162 G163 Y164S157-I160 WeakPolarHBondContact O-CB 3.48Å; S157-I160 PolarHBondContact O-N 2.9Å; R158-I160 VanDerWaalsContact C-N 3.3Å; R158-I160 PolarHBondContact O-N 3.06Å; I160-T162 VanDerWaalsContact C-N 3.33Å; I160-T162 PolarHBondContact O-N 3.13Å; I160-G163 PolarHBondContact O-N 3.42Å; I160-Y164 HydrophobicContact CG2-CD2 4.34Å; I160-Y164 HydrophobicContact CG2-CE2 3.8Å; I160-Y164 WeakPolarHBondContact O-CD2 3.27Å; I160-Y164 WeakPolarHBondContact O-CE2 3.43Å
161Y60Low65.8Low187 Ų187109.7 Ų109.773%0.73358%0.579SS**Hα-helixtrans-74.8-16.1-171.5-62.7-67.9000115.2S157 G163S157-Y161 VanDerWaalsContact O-CD2 3.25Å; S157-Y161 WeakPolarHBondContact O-CD2 3.48Å; S157-Y161 PolarHBondContact O-N 3.24Å; Y161-G163 VanDerWaalsContact C-N 3.31Å
162T63Low63.5Low117 Ų117118.8 Ų118.872%0.71861%0.614SS**Hα-helixtrans-76.3-17.5172-55.70000112.9R158 I160R158-T162 PolarHBondContact O-N 2.99Å; R158-T162 PolarHBondContact O-OG1 3.33Å; I160-T162 VanDerWaalsContact C-N 3.33Å; I160-T162 PolarHBondContact O-N 3.13Å
163G55.4Low61.1Low56 Ų56116.6 Ų116.658%0.57762%0.622SS**Hα-helixtrans-89.6-30.5-175.800000116.3I160 Y161 G165I160-G163 PolarHBondContact O-N 3.42Å; Y161-G163 VanDerWaalsContact C-N 3.31Å; G163-G165 PolarHBondContact O-N 3.07Å
164Y53Low59Low191 Ų191119.8 Ų119.875%0.74963%0.632SS**  trans-85.146.1-171.4-63.2-75.2000114.3I160I160-Y164 HydrophobicContact CG2-CD2 4.34Å; I160-Y164 HydrophobicContact CG2-CE2 3.8Å; I160-Y164 WeakPolarHBondContact O-CD2 3.27Å; I160-Y164 WeakPolarHBondContact O-CE2 3.43Å
165G46.4Very low56.9Low51 Ų51125 Ų12553%0.52667%0.668SS.*  trans-85129.5160.200000109.7G163 T167G163-G165 PolarHBondContact O-N 3.07Å; G165-T167 PolarHBondContact O-N 2.96Å
166N42.2Very low55.1Low156 Ų156122.1 Ų122.183%0.83466%0.662SS**  trans-72.270.9-178.2-75.3-18.1000113
167T46.6Very low53.2Low119 Ų119128.7 Ų128.773%0.7368%0.676SS**  trans-9785.1161.453.20000108.8G165 D169G165-T167 PolarHBondContact O-N 2.96Å; T167-D169 PolarHBondContact O-N 3.33Å
168N47.6Very low51.7Low152 Ų152135.9 Ų135.981%0.81370%0.701SS**  trans-74.751.6171.6-77.1-19.8000111.3
169D49.8Very low50.3Low131 Ų131140.2 Ų140.270%0.70173%0.729SS**  trans-127.984.3-179.8-86.5-57.2000110.3T167 D171T167-D169 PolarHBondContact O-N 3.33Å; D169-D171 PolarHBondContact O-N 3.22Å
170L47.4Very low49.4Very low168 Ų168140.1 Ų140.188%0.8873%0.734SS**SBendtrans52.961.1130.2-59165.4000119
171D48.1Very low48.3Very low155 Ų155139.9 Ų139.983%0.82975%0.753SS**  -161.199.1125.8-168.49.4000112.9D169D169-D171 PolarHBondContact O-N 3.22Å
172R45.3Very low47.5Very low223 Ų223138.4 Ų138.484%0.84276%0.758SS**  trans-146.988.5155-154.4176.1-161.2-165.54.8109.9Y174R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 2.85Å
173G41.9Very low46.7Very low70 Ų70143.6 Ų143.672%0.72277%0.766SS**  trans-57.888.1176.100000113.4S175G173-S175 PolarHBondContact O-N 2.79Å
174Y47.8Very low46.2Very low194 Ų194144.4 Ų144.476%0.76177%0.774SS**  trans-68.994.7170.8-124.6-86.6000108.6R172 S176R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 2.85Å; Y174-S176 PolarHBondContact O-N 3.48Å
175S46.1Very low45.9Very low125 Ų125142.5 Ų142.587%0.87477%0.772SS**  trans-73.170.9175.6-163.60000110.4G173 Y177G173-S175 PolarHBondContact O-N 2.79Å; S175-Y177 PolarHBondContact O-N 3.4Å
176S48Very low45.7Very low54 Ų54150.3 Ų150.338%0.37879%0.786SS.*  trans-87.392.7-175.3-166.70000110.4Y174 K178Y174-S176 PolarHBondContact O-N 3.48Å; S176-K178 PolarHBondContact O-N 2.73Å
177Y47.4Very low45.9Very low198 Ų198147.1 Ų147.178%0.77678%0.776SS**  trans16.371.3151.843.5-95.5000117.4S175 N179S175-Y177 PolarHBondContact O-N 3.4Å; Y177-N179 PolarHBondContact O-N 3.3Å; Y177-N179 VanDerWaalsContact O-N 3.14Å
178K46.5Very low46Very low198 Ų198148.4 Ų148.486%0.86178%0.778SS**  trans-80.690.8160.6-85.7-163.1171.6-174.50110.7S176 N180S176-K178 PolarHBondContact O-N 2.73Å; K178-N180 PolarHBondContact O-N 3.36Å
179N43.2Very low45.8Very low155 Ų155146.6 Ų146.683%0.82978%0.777SS**  trans-56117.9153.7-85.8-48.7000109.1Y177Y177-N179 PolarHBondContact O-N 3.3Å; Y177-N179 VanDerWaalsContact O-N 3.14Å
180N45.8Very low45.7Very low155 Ų155147.3 Ų147.383%0.82978%0.78SS**  trans-148.799.6155.8-100.1-11.2000105.1K178K178-N180 PolarHBondContact O-N 3.36Å
181G42.4Very low45.7Very low83 Ų83146 Ų14686%0.85677%0.774SS**  trans-81.7144.5175.400000110.9
182D43.3Very low45.6Very low155 Ų155145.7 Ų145.783%0.82977%0.772SS**  trans-142.5161.9146.3-156.3-0.9000109.6
183Y46.1Very low45.6Very low227 Ų227144.2 Ų144.289%0.8977%0.768SS**  trans-74.4145.7-171.6-73.4-113.1000112.3
184G44.9Very low45.8Very low73 Ų73148.3 Ų148.375%0.75377%0.773SS**  trans-155.9-2.8-171.900000122.7
185Q47.1Very low45.6Very low150 Ų150148.2 Ų148.270%0.70178%0.777SS**  trans50129.5165-64.7-166.479.100121.5
186R41.3Very low45.6Very low216 Ų216151.1 Ų151.182%0.81578%0.777SS**  trans67.9152.6139.6-68.9176.1-156.8-110.54.3119
187S47.1Very low45.5Very low89 Ų89154 Ų15462%0.62279%0.793SS**  cis-167.2147.3-25.1-134.60000109.8
188D47.9Very low45.2Very low145 Ų145153.7 Ų153.778%0.77579%0.791SS**  trans62.1158.6149.7-55-54.5000122.4
189S45.4Very low45.5Very low115 Ų115148.7 Ų148.780%0.80478%0.777SS**  trans58.5113.1175.5-67.50000118.2
190L46.9Very low46Very low145 Ų145145.9 Ų145.976%0.75977%0.767SS**  cis84.4122.239.5-163.4125.9000113.5
191D47.9Very low46.2Very low142 Ų142146.9 Ų146.976%0.75976%0.764SS**  trans50.8119.3169.1-56.4-16.1000120
192D44.9Very low46.2Very low147 Ų147149.6 Ų149.679%0.78676%0.759SS**  -173.2170.997-163.922.6000112.8
193Y45.4Very low46.3Very low193 Ų193151.2 Ų151.276%0.75776%0.759SS**  trans-46.8135.9178.8-80.6-140.2000115.7
194N45.4Very low46Very low155 Ų155146 Ų14683%0.82975%0.751SS**  -169.7166.289.4-107.9-65.1000115.9
195K45.1Very low46Very low193 Ų193150.3 Ų150.384%0.83975%0.749SS**  trans-120.4103.8-171.3168.7-158.5173.1-175.90110.2
196E45Very low45.7Very low186 Ų186152.1 Ų152.187%0.86976%0.758SS**  trans-155.8117.3159-121.9171.4-133.500114.8
197T45.5Very low45.7Very low115 Ų115146 Ų14671%0.70675%0.748SS**  trans47.686.9137.4-45.80000119.9V199T197-V199 HydrophobicContact CG2-CG2 3.6Å
198Y41.1Very low45.6Very low190 Ų190146.5 Ų146.575%0.74575%0.752SS**  trans-90.898.9154.6-170.9-100.1000110.7
199V53Low45.1Very low93 Ų93144.8 Ų144.856%0.56476%0.758SS**  trans-75.2133.3173.1-167.20000109.5T197 K201T197-V199 HydrophobicContact CG2-CG2 3.6Å; V199-K201 PolarHBondContact O-N 2.92Å
200P54.1Low45.1Very low97 Ų97148.1 Ų148.163%0.6376%0.758SS**  trans-61.6132.8170.626.6-34.1000110.2N202P200-N202 PolarHBondContact O-N 3.3Å; P200-N202 VanDerWaalsContact O-N 3.16Å
201K50.4Low44.8Very low176 Ų176146 Ų14677%0.76576%0.755SS**  trans-68.5113-177.1-67.7174.9-177.7172.30110.3V199 F203V199-K201 PolarHBondContact O-N 2.92Å; K201-F203 PolarHBondContact O-N 3.05Å; K201-F203 VanDerWaalsContact O-N 3.13Å
202N42.3Very low44.3Very low140 Ų140150.1 Ų150.175%0.74976%0.76SS**  trans-58.5113.8173.7-67.9-27.1000110.3P200 T204P200-N202 PolarHBondContact O-N 3.3Å; P200-N202 VanDerWaalsContact O-N 3.16Å; N202-T204 PolarHBondContact O-N 3.21Å; N202-T204 VanDerWaalsContact O-N 3.1Å
203F44.3Very low44.2Very low189 Ų189148.8 Ų148.883%0.82976%0.757SS**  trans-82.687.5179-145.3-82.3000109.6K201 F205K201-F203 PolarHBondContact O-N 3.05Å; K201-F203 VanDerWaalsContact O-N 3.13Å; F203-F205 HydrophobicContact CD1-CD2 4.35Å; F203-F205 PolarHBondContact O-N 2.99Å
204T40.9Very low43.8Very low117 Ų117145.1 Ų145.172%0.71876%0.755SS**  trans-6789.1-177.7-56.20000111.4N202 Q206N202-T204 PolarHBondContact O-N 3.21Å; N202-T204 VanDerWaalsContact O-N 3.1Å; T204-Q206 PolarHBondContact O-N 3.24Å; T204-Q206 VanDerWaalsContact O-N 3.09Å
205F45.4Very low43.7Very low163 Ų163145 Ų14572%0.71575%0.753SS**  trans-77.994179.7-147.6-90.4000110.8F203 S207F203-F205 HydrophobicContact CD1-CD2 4.35Å; F203-F205 PolarHBondContact O-N 2.99Å; F205-S207 PolarHBondContact O-N 3.46Å
206Q39.7Very low43.5Very low188 Ų188140.3 Ų140.388%0.87974%0.744SS**  trans-72.473.6172-74.3-170.1-16.100111.4T204T204-Q206 PolarHBondContact O-N 3.24Å; T204-Q206 VanDerWaalsContact O-N 3.09Å
207S42.8Very low43.1Very low88 Ų88140.7 Ų140.762%0.61575%0.746SS**  trans-93.7118.4167.355.10000110.9F205F205-S207 PolarHBondContact O-N 3.46Å
208S44.4Very low43.2Very low100 Ų100143.3 Ų143.370%0.69975%0.75SS**  trans-47.8132.4-177.156.30000114.7K210S208-K210 PolarHBondContact O-N 2.88Å; S208-K210 VanDerWaalsContact O-N 3.12Å
209A36.9Very low43.1Very low108 Ų108142.1 Ų142.189%0.89375%0.748SS**  trans-63.6109.1174.100000111.7S211A209-S211 PolarHBondContact O-N 3.18Å
210K44.7Very low42.8Very low185 Ų185141.9 Ų141.980%0.80475%0.751SS**  trans-86.8105.3171.6-76.7-178.4176.3175.40110.5S208 R212S208-K210 PolarHBondContact O-N 2.88Å; S208-K210 VanDerWaalsContact O-N 3.12Å; K210-R212 PolarHBondContact O-N 3.39Å
211S42.4Very low42.4Very low101 Ų101144 Ų14471%0.70676%0.756SS**  trans29.486.8152.859.10000116.8A209 V213A209-S211 PolarHBondContact O-N 3.18Å; S211-V213 PolarHBondContact O-N 3.33Å; S211-V213 VanDerWaalsContact O-N 3.08Å
212R37.3Very low42.4Very low228 Ų228143.3 Ų143.386%0.8676%0.756SS**  trans-63107.4155.8175-178.9-76.3165.7-5.2107.5K210 T214K210-R212 PolarHBondContact O-N 3.39Å; R212-T214 HydrophobicContact CG-CG2 4.44Å; R212-T214 PolarHBondContact O-N 3.29Å
213V41.9Very low42.8Very low120 Ų120142.1 Ų142.173%0.72776%0.756SS**  trans-69.798.7171.7177.70000107.7S211 I215S211-V213 PolarHBondContact O-N 3.33Å; S211-V213 VanDerWaalsContact O-N 3.08Å; V213-I215 PolarHBondContact O-N 2.9Å; V213-I215 VanDerWaalsContact O-N 3.15Å
214T37.7Very low43.3Very low115 Ų115138.4 Ų138.471%0.70675%0.751SS**  trans-72.7100.8168.149.60000108.1R212 S216R212-T214 HydrophobicContact CG-CG2 4.44Å; R212-T214 PolarHBondContact O-N 3.29Å; T214-S216 PolarHBondContact O-N 3.01Å
215I42.1Very low44Very low154 Ų154138.6 Ų138.679%0.7975%0.754SS**  trans-60.7111.4164-63175000106.1V213 E217V213-I215 PolarHBondContact O-N 2.9Å; V213-I215 VanDerWaalsContact O-N 3.15Å; I215-E217 PolarHBondContact O-N 2.93Å
216S40.7Very low44.3Very low94 Ų94142.2 Ų142.266%0.65776%0.763SS**  trans-69.5114.917751.70000109T214 H218T214-S216 PolarHBondContact O-N 3.01Å; S216-H218 VanDerWaalsContact C-N 3.32Å; S216-H218 PolarHBondContact O-N 2.89Å
217E38Very low44.8Very low193 Ų193141.4 Ų141.490%0.90276%0.764SS**  trans-60.993.7171.2-70179.7106.300109.7I215 K219I215-E217 PolarHBondContact O-N 2.93Å; E217-K219 VanDerWaalsContact C-N 3.27Å; E217-K219 PolarHBondContact O-N 3.46Å
218H46.3Very low45.1Very low170 Ų170139.9 Ų139.979%0.78776%0.762SS**  trans-77.684.3178.1-156.1-72.8000108.5S216 S220S216-H218 VanDerWaalsContact C-N 3.32Å; S216-H218 PolarHBondContact O-N 2.89Å; H218-S220 PolarHBondContact O-N 3.32Å
219K39.1Very low45.4Very low166 Ų166138.7 Ų138.772%0.72275%0.754SS**  trans-59.792.8-175.5-172.5-173.9174.2-164.90111.2E217 D221E217-K219 VanDerWaalsContact C-N 3.27Å; E217-K219 PolarHBondContact O-N 3.46Å; K219-D221 WeakPolarHBondContact CE-OD1 3.24Å; K219-D221 IonicContact NZ-OD1 3.82Å
220S46.8Very low45.9Very low87 Ų87142.8 Ų142.861%0.60875%0.752SS**  trans-83.7109.9172.753.40000109.4H218 Q222H218-S220 PolarHBondContact O-N 3.32Å; S220-Q222 PolarHBondContact O-N 2.99Å
221D45.1Very low46.4Very low141 Ų141139.6 Ų139.675%0.75474%0.743SS**  trans-74.862.5173.4-67.1-49.4000111.1K219K219-D221 WeakPolarHBondContact CE-OD1 3.24Å; K219-D221 IonicContact NZ-OD1 3.82Å
222Q51.1Low46.9Very low163 Ų163140 Ų14076%0.76274%0.737SS**  trans-113.4139.9164.8-76.1-170.9-24.600109.1S220S220-Q222 PolarHBondContact O-N 2.99Å
223P50.5Low47.6Very low114 Ų114139.8 Ų139.874%0.7474%0.737SS**PPolyproline II helixtrans-63.3145.9173.428.8-34.3000109.6
224P55.7Low48.2Very low111 Ų111141.7 Ų141.772%0.72174%0.738SS**PPolyproline II helixtrans-56.9143173.125.9-34.2000109.4R226P224-R226 PolarHBondContact O-N 3.44Å; P224-R226 VanDerWaalsContact O-N 3.08Å
225P54.7Low48.8Very low121 Ų121142 Ų14279%0.78674%0.739SS**PPolyproline II helixtrans-56.8122176.424.7-33.1000108.1L227P225-L227 PolarHBondContact O-N 3.13Å
226R52Low48.5Very low240 Ų240137.9 Ų137.991%0.90674%0.735SS**PPolyproline II helixtrans-56.2130.8173.5-72.2-176.7170.7-157-2.7107.4P224 G228P224-R226 PolarHBondContact O-N 3.44Å; P224-R226 VanDerWaalsContact O-N 3.08Å; R226-G228 PolarHBondContact O-N 2.79Å; R226-G228 VanDerWaalsContact O-N 3.11Å
227L51.1Low48.9Very low170 Ų170142.7 Ų142.789%0.8974%0.744SS**PPolyproline II helixtrans-52.9123.2166.3-87.868.7000107.4P225P225-L227 PolarHBondContact O-N 3.13Å
228G49Very low49.6Very low56 Ų56142 Ų14258%0.57774%0.741SS**  trans-64.6176.9172.400000111.1R226R226-G228 PolarHBondContact O-N 2.79Å; R226-G228 VanDerWaalsContact O-N 3.11Å
229S50.2Low50Low76 Ų76142.8 Ų142.853%0.53174%0.737SS.*  trans-60.8149.9170.3-158.70000109.5D231 D232S229-D231 WeakPolarHBondContact CB-OD2 3.39Å; S229-D231 PolarHBondContact O-N 3.22Å; S229-D231 PolarHBondContact OG-OD2 3.28Å; S229-D232 PolarHBondContact O-N 3.38Å; S229-D232 VanDerWaalsContact O-N 3.09Å
230F47.5Very low51.2Low194 Ų194136.4 Ų136.485%0.85172%0.718SS**G310 helixtrans-54-27.7176.6-179.9-107.3000112.4
231D55.7Low52.1Low117 Ų117137.9 Ų137.963%0.62672%0.723SS**G310 helixtrans-73.2-22.3-179-40.8-88.9000114.8S229 W233S229-D231 WeakPolarHBondContact CB-OD2 3.39Å; S229-D231 PolarHBondContact O-N 3.22Å; S229-D231 PolarHBondContact OG-OD2 3.28Å; D231-W233 VanDerWaalsContact C-N 3.27Å; D231-W233 PolarHBondContact O-N 3.06Å
232D51.4Low52.5Low109 Ų109138.2 Ų138.258%0.58372%0.722SS**G310 helixtrans-73.5-15.4-175.6-100.1-22.1000113.3S229 H234 V235S229-D232 PolarHBondContact O-N 3.38Å; S229-D232 VanDerWaalsContact O-N 3.09Å; D232-H234 PolarHBondContact O-N 3.33Å; D232-V235 PolarHBondContact O-N 3.47Å; D232-V235 VanDerWaalsContact O-N 3.13Å
233W53.6Low53.2Low225 Ų225133.6 Ų133.685%0.85270%0.702SS**G310 helixtrans-63.6-16-173.7-167.262.9000114.3D231D231-W233 VanDerWaalsContact C-N 3.27Å; D231-W233 PolarHBondContact O-N 3.06Å
234H54Low54.3Low160 Ų160131.8 Ų131.874%0.74169%0.687SS**G310 helixtrans-92.3-1.2179.5-72.7-74.2000114.9D232D232-H234 PolarHBondContact O-N 3.33Å
235V49.4Very low54.9Low120 Ų120130.4 Ų130.473%0.72768%0.676SS**SBendtrans-125.7108.1-175.8-173.30000111.2D232D232-V235 PolarHBondContact O-N 3.47Å; D232-V235 VanDerWaalsContact O-N 3.13Å
236G37.1Very low55.3Low69 Ų69127.9 Ų127.971%0.71166%0.655SS**  trans109.624.2162.200000118.1E238G236-E238 PolarHBondContact O-N 2.83Å; G236-E238 VanDerWaalsContact O-N 3.13Å
237K49.1Very low56.3Low195 Ų195121.5 Ų121.585%0.84864%0.636SS**  trans-69.1106.5155.3-167.7-178.4-178.3-168.70107.7R239K237-R239 PolarHBondContact O-N 3.34Å
238E52.7Low57.4Low179 Ų179119.5 Ų119.584%0.83662%0.622SS**PPolyproline II helixtrans-55.3133175.3-62.1-174.8144.300109.6G236 G240G236-E238 PolarHBondContact O-N 2.83Å; G236-E238 VanDerWaalsContact O-N 3.13Å; E238-G240 PolarHBondContact O-N 3.13Å; E238-G240 VanDerWaalsContact O-N 3.16Å
239R53.5Low58.4Low185 Ų185120.3 Ų120.370%0.69861%0.61SS**PPolyproline II helixtrans-63.4118.2174.8-67.7-171.6-175.9-154.60.2108.1K237 D243 E247K237-R239 PolarHBondContact O-N 3.34Å; R239-D243 WeakPolarHBondContact CA-OD2 3.47Å; R239-D243 HydrophobicContact CB-CB 4.49Å; R239-E247 IonicContact NH1-OE2 2.62Å
240G65Low59.4Low32 Ų32123 Ų12333%0.3361%0.612SS.*PPolyproline II helixtrans-77159.6174.600000110.4E238 M242 D243E238-G240 PolarHBondContact O-N 3.13Å; E238-G240 VanDerWaalsContact O-N 3.16Å; G240-M242 PolarHBondContact O-N 3.02Å; G240-D243 PolarHBondContact N-OD2 2.78Å; G240-D243 WeakPolarHBondContact O-CB 3.33Å; G240-D243 PolarHBondContact O-N 2.86Å
241V65Low60.7Low118 Ų118119.7 Ų119.772%0.71560%0.599SS**Hα-helixtrans-54.4-23.7170.7-156.70000111.9V245V241-V245 WeakPolarHBondContact O-CG2 3.26Å; V241-V245 PolarHBondContact O-N 3.13Å
242M55.4Low61.4Low148 Ų148116.9 Ų116.973%0.72959%0.592SS**Hα-helixtrans-72.3-28.7174.8-60.7-57.8-179.200113.8G240 V245 L246G240-M242 PolarHBondContact O-N 3.02Å; M242-V245 PolarHBondContact O-N 3.21Å; M242-L246 WeakPolarHBondContact O-CB 3.22Å; M242-L246 PolarHBondContact O-N 3.39Å
243D65.2Low62.3Low66 Ų66117.1 Ų117.135%0.35359%0.585SS.*Hα-helixtrans-69.3-39.6176.3-64.9-58.3000110.5R239 G240 L246 E247R239-D243 WeakPolarHBondContact CA-OD2 3.47Å; R239-D243 HydrophobicContact CB-CB 4.49Å; G240-D243 PolarHBondContact N-OD2 2.78Å; G240-D243 WeakPolarHBondContact O-CB 3.33Å; G240-D243 PolarHBondContact O-N 2.86Å; D243-L246 WeakPolarHBondContact O-CA 3.3Å; D243-L246 WeakPolarHBondContact O-CB 3.45Å; D243-L246 PolarHBondContact O-N 3.36Å; D243-L246 VanDerWaalsContact O-N 3.14Å; D243-E247 PolarHBondContact O-N 3.36Å
244D73.5Confident63.2Low77 Ų77109.3 Ų109.341%0.41256%0.56SS.*Hα-helixtrans-66-37.6175.2-62.4-20.9000112L246 E247 Q248D244-L246 VanDerWaalsContact C-N 3.3Å; D244-E247 PolarHBondContact O-N 3.41Å; D244-Q248 WeakPolarHBondContact O-CG 3.38Å; D244-Q248 PolarHBondContact O-N 2.95Å
245V68.2Low64.3Low81 Ų81107.6 Ų107.649%0.49156%0.555SS.*Hα-helixtrans-66.2-34.3172.1170.50000111.2V241 M242 F249V241-V245 WeakPolarHBondContact O-CG2 3.26Å; V241-V245 PolarHBondContact O-N 3.13Å; M242-V245 PolarHBondContact O-N 3.21Å; V245-F249 WeakPolarHBondContact O-CB 3.17Å; V245-F249 PolarHBondContact O-N 3.32Å
246L62.4Low65.2Low68 Ų68104.3 Ų104.336%0.35654%0.541SS..Hα-helixtrans-66.8-43.2175.5-129.8146.3000111.7M20 M242 D243 D244 F249 K250M20-L246 HydrophobicContact CE-CD1 3.89Å; M20-L246 HydrophobicContact CE-CD2 3.77Å; M20-L246 HydrophobicContact CE-CG 4.31Å; M20-L246 HydrophobicContact CG-CD1 4.02Å; M20-L246 HydrophobicContact SD-CD1 3.96Å; M20-L246 HydrophobicContact SD-CD2 4Å; M20-L246 HydrophobicContact SD-CG 4.14Å; M242-L246 WeakPolarHBondContact O-CB 3.22Å; M242-L246 PolarHBondContact O-N 3.39Å; D243-L246 WeakPolarHBondContact O-CA 3.3Å; D243-L246 WeakPolarHBondContact O-CB 3.45Å; D243-L246 PolarHBondContact O-N 3.36Å; D243-L246 VanDerWaalsContact O-N 3.14Å; D244-L246 VanDerWaalsContact C-N 3.3Å; L246-F249 PolarHBondContact O-N 2.98Å; L246-K250 VanDerWaalsContact O-CB 3.25Å; L246-K250 WeakPolarHBondContact O-CB 3.45Å; L246-K250 PolarHBondContact O-N 3.18Å
247E72.6Confident66.7Low106 Ų106105.6 Ų105.650%0.49553%0.527SS..Hα-helixtrans-64.1-47.3176.3-165.2144.2-12100110.2R239 D243 D244 F249 K250 E251R239-E247 IonicContact NH1-OE2 2.62Å; D243-E247 PolarHBondContact O-N 3.36Å; D244-E247 PolarHBondContact O-N 3.41Å; E247-F249 PolarHBondContact O-N 3.22Å; E247-K250 PolarHBondContact O-N 2.94Å; E247-E251 WeakPolarHBondContact O-CG 3.49Å; E247-E251 PolarHBondContact O-N 3.13Å
248Q74.1Confident67.7Low128 Ų128101 Ų10160%0.59851%0.508SS*.Hα-helixtrans-60.2-43.5174-73.2174.748.800113.6D244 K250 E251 A252D244-Q248 WeakPolarHBondContact O-CG 3.38Å; D244-Q248 PolarHBondContact O-N 2.95Å; Q248-K250 VanDerWaalsContact C-N 3.32Å; Q248-K250 PolarHBondContact O-N 2.84Å; Q248-E251 PolarHBondContact O-N 2.97Å; Q248-A252 WeakPolarHBondContact O-CB 3.32Å; Q248-A252 PolarHBondContact O-N 3.06Å
249F70.6Confident68.1Low74 Ų7496.1 Ų96.133%0.32549%0.494SS..Hα-helixtrans-65.3-38.8177.3-175.7-90.8000111.3A13 V245 L246 E247 A252 W253A13-F249 HydrophobicContact CB-CZ 4.32Å; V245-F249 WeakPolarHBondContact O-CB 3.17Å; V245-F249 PolarHBondContact O-N 3.32Å; L246-F249 PolarHBondContact O-N 2.98Å; E247-F249 PolarHBondContact O-N 3.22Å; F249-A252 PolarHBondContact O-N 3.39Å; F249-W253 HydrophobicContact CE1-CE3 4.28Å; F249-W253 HydrophobicContact CZ-CE3 4.14Å; F249-W253 VanDerWaalsContact O-CB 3.23Å; F249-W253 WeakPolarHBondContact O-CB 3.46Å; F249-W253 PolarHBondContact O-N 3.48Å
250K70.7Confident68.2Low131 Ų13190.5 Ų90.557%0.5748%0.481SS*.Hα-helixtrans-67.1-45.1177.2-173.2-177.4176.8-169.60111.8L246 E247 Q248 A252 W253 D254L246-K250 VanDerWaalsContact O-CB 3.25Å; L246-K250 WeakPolarHBondContact O-CB 3.45Å; L246-K250 PolarHBondContact O-N 3.18Å; E247-K250 PolarHBondContact O-N 2.94Å; Q248-K250 VanDerWaalsContact C-N 3.32Å; Q248-K250 PolarHBondContact O-N 2.84Å; K250-A252 PolarHBondContact O-N 2.88Å; K250-W253 PolarHBondContact O-N 2.82Å; K250-D254 WeakPolarHBondContact O-CB 3.34Å; K250-D254 PolarHBondContact O-N 3.29Å
251E76Confident67.8Low125 Ų12593.6 Ų93.658%0.58449%0.485SS*.Hα-helixtrans-57.3-48172.8-74.9-174.2159.300111.4E247 Q248 W253 D254 L255E247-E251 WeakPolarHBondContact O-CG 3.49Å; E247-E251 PolarHBondContact O-N 3.13Å; Q248-E251 PolarHBondContact O-N 2.97Å; E251-W253 VanDerWaalsContact C-N 3.34Å; E251-W253 PolarHBondContact O-N 2.97Å; E251-D254 PolarHBondContact O-N 2.81Å; E251-L255 VanDerWaalsContact O-CB 3.29Å; E251-L255 WeakPolarHBondContact O-CB 3.46Å; E251-L255 WeakPolarHBondContact O-CG 3.22Å; E251-L255 PolarHBondContact O-N 2.76Å
252A69.9Low67.2Low58 Ų5894.4 Ų94.448%0.47949%0.485SS..Hα-helixtrans-63.5-37.6177.900000112.8Q248 F249 K250 A256Q248-A252 WeakPolarHBondContact O-CB 3.32Å; Q248-A252 PolarHBondContact O-N 3.06Å; F249-A252 PolarHBondContact O-N 3.39Å; K250-A252 PolarHBondContact O-N 2.88Å; A252-A256 WeakPolarHBondContact O-CB 3.15Å; A252-A256 PolarHBondContact O-N 3.2Å
253W71.2Confident67Low115 Ų11593.8 Ų93.844%0.43648%0.484SS..Hα-helixtrans-70.8-40.8177.7-175.3-95000112.4A13 F249 K250 E251 A256 K257A13-W253 HydrophobicContact CB-CH2 4.24Å; A13-W253 HydrophobicContact CB-CZ3 3.98Å; F249-W253 HydrophobicContact CE1-CE3 4.28Å; F249-W253 HydrophobicContact CZ-CE3 4.14Å; F249-W253 VanDerWaalsContact O-CB 3.23Å; F249-W253 WeakPolarHBondContact O-CB 3.46Å; F249-W253 PolarHBondContact O-N 3.48Å; K250-W253 PolarHBondContact O-N 2.82Å; E251-W253 VanDerWaalsContact C-N 3.34Å; E251-W253 PolarHBondContact O-N 2.97Å; W253-A256 PolarHBondContact O-N 2.99Å; W253-K257 VanDerWaalsContact CD1-CE 3.47Å; W253-K257 VanDerWaalsContact NE1-CE 3.33Å; W253-K257 WeakPolarHBondContact O-CG 3.44Å; W253-K257 PolarHBondContact O-N 3.14Å
254D71.7Confident66Low61 Ų6196.9 Ų96.933%0.32650%0.5SS..Hα-helixtrans-74.2-33.5177.1-70.8-25.4000111.7K250 E251 A256 K257 E258K250-D254 WeakPolarHBondContact O-CB 3.34Å; K250-D254 PolarHBondContact O-N 3.29Å; E251-D254 PolarHBondContact O-N 2.81Å; D254-A256 VanDerWaalsContact C-N 3.34Å; D254-K257 WeakPolarHBondContact O-CB 3.31Å; D254-K257 PolarHBondContact O-N 2.68Å; D254-K257 WeakPolarHBondContact OD1-CD 3.34Å; D254-K257 WeakPolarHBondContact OD1-CE 3.25Å; D254-K257 IonicContact OD1-NZ 2.99Å; D254-K257 PolarHBondContact OD1-NZ 3.13Å; D254-E258 PolarHBondContact O-N 2.98Å
255L76.7Confident64.5Low123 Ų123101.4 Ų101.464%0.64452%0.516SS*.Hα-helixtrans-60.1-41.2165.3-85.7162.5000112.3E251 E258 S259E251-L255 VanDerWaalsContact O-CB 3.29Å; E251-L255 WeakPolarHBondContact O-CB 3.46Å; E251-L255 WeakPolarHBondContact O-CG 3.22Å; E251-L255 PolarHBondContact O-N 2.76Å; L255-E258 PolarHBondContact O-N 3.32Å; L255-S259 VanDerWaalsContact O-CB 3.28Å; L255-S259 WeakPolarHBondContact O-CB 3.37Å; L255-S259 PolarHBondContact O-N 3.21Å
256A68.1Low63.1Low51 Ų51102.4 Ų102.442%0.42153%0.527SS..Hα-helixtrans-67.1-35.8176.500000112.4A252 W253 D254 T260A252-A256 WeakPolarHBondContact O-CB 3.15Å; A252-A256 PolarHBondContact O-N 3.2Å; W253-A256 PolarHBondContact O-N 2.99Å; D254-A256 VanDerWaalsContact C-N 3.34Å; A256-T260 WeakPolarHBondContact O-CB 3.3Å; A256-T260 WeakPolarHBondContact O-CG2 3.21Å; A256-T260 PolarHBondContact O-N 3.48Å; A256-T260 VanDerWaalsContact O-N 3.13Å; A256-T260 PolarHBondContact O-OG1 2.67Å
257K69.3Low61.9Low96 Ų96107.9 Ų107.942%0.41755%0.547SS..Hα-helixtrans-61.5-50.6169.3-70.7175-170.3159.20111.3W253 D254 S259 T260 K261W253-K257 VanDerWaalsContact CD1-CE 3.47Å; W253-K257 VanDerWaalsContact NE1-CE 3.33Å; W253-K257 WeakPolarHBondContact O-CG 3.44Å; W253-K257 PolarHBondContact O-N 3.14Å; D254-K257 WeakPolarHBondContact O-CB 3.31Å; D254-K257 PolarHBondContact O-N 2.68Å; D254-K257 WeakPolarHBondContact OD1-CD 3.34Å; D254-K257 WeakPolarHBondContact OD1-CE 3.25Å; D254-K257 IonicContact OD1-NZ 2.99Å; D254-K257 PolarHBondContact OD1-NZ 3.13Å; K257-S259 PolarHBondContact O-N 3.25Å; K257-T260 PolarHBondContact O-N 3.12Å; K257-T260 VanDerWaalsContact O-N 3.11Å; K257-T260 PolarHBondContact O-OG1 3.06Å; K257-T260 VanDerWaalsContact O-OG1 3.06Å; K257-K261 WeakPolarHBondContact O-CG 3.45Å; K257-K261 PolarHBondContact O-N 2.9Å
258E70Confident60.1Low98 Ų98107.9 Ų107.946%0.45855%0.551SS.*Hα-helixtrans-62.8-45.7-176.3-137.160.8-150.200111.2D254 L255 T260 K261D254-E258 PolarHBondContact O-N 2.98Å; L255-E258 PolarHBondContact O-N 3.32Å; E258-T260 PolarHBondContact O-N 3.5Å; E258-K261 PolarHBondContact O-N 2.76Å; E258-K261 WeakPolarHBondContact OE1-CD 3.5Å; E258-K261 IonicContact OE1-NZ 2.76Å; E258-K261 PolarHBondContact OE1-NZ 3.28Å; E258-K261 WeakPolarHBondContact OE2-CE 3.41Å; E258-K261 IonicContact OE2-NZ 2.68Å; E258-K261 PolarHBondContact OE2-NZ 3.19Å
259S62Low58.4Low77 Ų77107.5 Ų107.554%0.53856%0.56SS.*Hα-helixtrans-59.8-28.2174.7-175.20000113.8L255 K257L255-S259 VanDerWaalsContact O-CB 3.28Å; L255-S259 WeakPolarHBondContact O-CB 3.37Å; L255-S259 PolarHBondContact O-N 3.21Å; K257-S259 PolarHBondContact O-N 3.25Å
260T55.5Low57Low68 Ų68111.1 Ų111.142%0.41758%0.578SS.*Hα-helixtrans-90.1-22.3177.547.80000114.3A256 K257 E258 L263 I264A256-T260 WeakPolarHBondContact O-CB 3.3Å; A256-T260 WeakPolarHBondContact O-CG2 3.21Å; A256-T260 PolarHBondContact O-N 3.48Å; A256-T260 VanDerWaalsContact O-N 3.13Å; A256-T260 PolarHBondContact O-OG1 2.67Å; K257-T260 PolarHBondContact O-N 3.12Å; K257-T260 VanDerWaalsContact O-N 3.11Å; K257-T260 PolarHBondContact O-OG1 3.06Å; K257-T260 VanDerWaalsContact O-OG1 3.06Å; E258-T260 PolarHBondContact O-N 3.5Å; T260-L263 PolarHBondContact O-N 3.39Å; T260-I264 WeakPolarHBondContact O-CB 3.21Å; T260-I264 WeakPolarHBondContact O-CD1 3.42Å; T260-I264 VanDerWaalsContact O-CG1 3.24Å; T260-I264 WeakPolarHBondContact O-CG1 3.42Å; T260-I264 PolarHBondContact O-N 3.49Å
261K55.6Low55.5Low96 Ų96111.6 Ų111.642%0.41759%0.586SS.*Hα-helixtrans-57.9-51.3171.2-72.2171.3-173.21720111.2K257 E258 L263 I264 F265K257-K261 WeakPolarHBondContact O-CG 3.45Å; K257-K261 PolarHBondContact O-N 2.9Å; E258-K261 PolarHBondContact O-N 2.76Å; E258-K261 WeakPolarHBondContact OE1-CD 3.5Å; E258-K261 IonicContact OE1-NZ 2.76Å; E258-K261 PolarHBondContact OE1-NZ 3.28Å; E258-K261 WeakPolarHBondContact OE2-CE 3.41Å; E258-K261 IonicContact OE2-NZ 2.68Å; E258-K261 PolarHBondContact OE2-NZ 3.19Å; K261-L263 VanDerWaalsContact C-N 3.27Å; K261-L263 PolarHBondContact O-N 3.38Å; K261-I264 PolarHBondContact O-N 2.81Å; K261-F265 PolarHBondContact O-N 3.38Å
262D52.9Low53.6Low136 Ų136112.8 Ų112.873%0.72760%0.596SS**Hα-helixtrans-67.6-26.9-177.2-72.5-10.1000113.1
263L50.9Low51.8Low135 Ų135121.6 Ų121.671%0.70762%0.617SS**Hα-helixtrans-82.6-24.2175.7-83.8165.6000113.8T260 K261T260-L263 PolarHBondContact O-N 3.39Å; K261-L263 VanDerWaalsContact C-N 3.27Å; K261-L263 PolarHBondContact O-N 3.38Å
264I44.5Very low50.2Low131 Ų131121.3 Ų121.367%0.67263%0.633SS**Hα-helixtrans-94-32.8179.8-66.5168.7000111.3T260 K261 S266T260-I264 WeakPolarHBondContact O-CB 3.21Å; T260-I264 WeakPolarHBondContact O-CD1 3.42Å; T260-I264 VanDerWaalsContact O-CG1 3.24Å; T260-I264 WeakPolarHBondContact O-CG1 3.42Å; T260-I264 PolarHBondContact O-N 3.49Å; K261-I264 PolarHBondContact O-N 2.81Å; I264-S266 VanDerWaalsContact C-N 3.31Å; I264-S266 PolarHBondContact O-N 3.36Å
265F42.1Very low48.5Very low171 Ų171126.8 Ų126.875%0.7566%0.662SS**  trans-93.434.9175.7-72.1-77000113.7K261 K267K261-F265 PolarHBondContact O-N 3.38Å; F265-K267 PolarHBondContact O-N 3.2Å
266S38.5Very low46.8Very low103 Ų103130.1 Ų130.172%0.7268%0.675SS**  trans-70.282.5170-153.20000110.3I264 N268I264-S266 VanDerWaalsContact C-N 3.31Å; I264-S266 PolarHBondContact O-N 3.36Å; S266-N268 PolarHBondContact O-N 3.35Å
267K37.4Very low45.6Very low182 Ų182137.4 Ų137.479%0.79170%0.697SS**  trans-64112.3-167.5-172.3172.7-176.3173.20112F265 P269F265-K267 PolarHBondContact O-N 3.2Å; K267-P269 VanDerWaalsContact O-CD 3.29Å; K267-P269 WeakPolarHBondContact O-CD 3.35Å
268N35.4Very low44.4Very low107 Ų107138.3 Ų138.357%0.57271%0.707SS**  trans-60.2118.3177.8-169.48.2000110.9S266 Q270S266-N268 PolarHBondContact O-N 3.35Å; N268-Q270 PolarHBondContact O-N 2.9Å
269P37.6Very low43.6Very low120 Ų120139.2 Ų139.278%0.77972%0.721SS**THydrogen-bonded Turntrans-74.227-169.8-20.935.1000117.2K267K267-P269 VanDerWaalsContact O-CD 3.29Å; K267-P269 WeakPolarHBondContact O-CD 3.35Å
270Q40.7Very low43Very low150 Ų150146.5 Ų146.570%0.70174%0.737SS**THydrogen-bonded Turntrans-110.1-33-176.2-73.9-72.8-94.600114.5N268 N272N268-Q270 PolarHBondContact O-N 2.9Å; Q270-N272 VanDerWaalsContact C-N 3.28Å; Q270-N272 PolarHBondContact O-N 3.29Å
271D39.8Very low42.5Very low140 Ų140151.5 Ų151.575%0.74976%0.757SS**  trans-83.867-169-59.1-39.6000112.6
272N35.2Very low41.9Very low150 Ų150153.4 Ų153.480%0.80278%0.777SS**  trans-145.130.1180-132.120.4000113.1Q270Q270-N272 VanDerWaalsContact C-N 3.28Å; Q270-N272 PolarHBondContact O-N 3.29Å
273R33.8Very low41.9Very low243 Ų243151.4 Ų151.492%0.91777%0.774SS**SBendtrans-144.147.1-177.1-81.1-166171.4178.5-1.8115.7
274S35.5Very low41.8Very low110 Ų110154.7 Ų154.777%0.76979%0.785SS**  trans-169.277.4157.956.40000112.2
275N36.1Very low42.3Very low175 Ų175156.7 Ų156.794%0.93679%0.792SS**  trans-154.541.4165.3-99.9-28.5000111.6
276E43Very low42.7Very low194 Ų194155.6 Ų155.691%0.90780%0.799SS**  trans-94.8159.9157.6-73-177.1109.800109.2
277F40.9Very low43.5Very low204 Ų204158.7 Ų158.790%0.89580%0.796SS**  trans76.951.1171.5-136-87.3000118.6
278N45.9Very low44.5Very low115 Ų115158.4 Ų158.462%0.61580%0.797SS**  trans-14291.3146-168.6-3.7000112.4R280N278-R280 PolarHBondContact O-N 3.48Å
279P52.9Low45.2Very low117 Ų117161.5 Ų161.576%0.7681%0.806SS**THydrogen-bonded Turntrans-79.434.5-174.435.3-37.9000113.7
280R48.6Very low46.2Very low230 Ų230160.3 Ų160.387%0.86880%0.798SS**THydrogen-bonded Turntrans-127.26.1-176.2-105-172.9179.3-146.5-0.7115.8N278N278-R280 PolarHBondContact O-N 3.48Å
281M45Very low46.4Very low172 Ų172158.1 Ų158.185%0.84780%0.799SS**  trans-118.592.7169.9-71.1-17567.200109.9
282V44.3Very low46.5Very low136 Ų136159.3 Ų159.382%0.82481%0.806SS**  trans-115132.2165.9-179.80000106.5
283S51.5Low46.8Very low95 Ų95156.9 Ų156.966%0.66481%0.807SS**  trans-67.4151176.641.60000111.7E285S283-E285 PolarHBondContact O-N 3.37Å
284E49.5Very low47.6Very low204 Ų204152.2 Ų152.295%0.95381%0.805SS**  trans-69.589176.2-66.1-178.7124.500111.2
285E54.6Low48.2Very low173 Ų173156.4 Ų156.481%0.80881%0.812SS**  trans-111.7148.6161.3-67.5-165.5157.700110.3S283 Y287S283-E285 PolarHBondContact O-N 3.37Å; E285-Y287 PolarHBondContact O-N 2.58Å
286V51.1Low48.6Very low147 Ų147154.1 Ų154.189%0.89181%0.81SS**  trans-70.7115.7-163.2179.20000111.6
287Y54.3Low48.6Very low169 Ų169149 Ų14966%0.66381%0.808SS**  trans-97.8108.3169-167.1-93000111E285 F289E285-Y287 PolarHBondContact O-N 2.58Å; Y287-F289 HydrophobicContact CD1-CD2 4.1Å; Y287-F289 HydrophobicContact CD1-CE2 4.11Å; Y287-F289 HydrophobicContact CD1-CG 4.41Å; Y287-F289 HydrophobicContact CD1-CZ 4.42Å; Y287-F289 HydrophobicContact CE1-CD1 4.11Å; Y287-F289 HydrophobicContact CE1-CD2 4.29Å; Y287-F289 HydrophobicContact CE1-CE1 4.21Å; Y287-F289 HydrophobicContact CE1-CE2 4.38Å; Y287-F289 HydrophobicContact CE1-CG 4.16Å; Y287-F289 HydrophobicContact CE1-CZ 4.34Å
288E59.2Low48.6Very low175 Ų175143 Ų14382%0.81880%0.804SS**PPolyproline II helixtrans-93.6124.2173.5-169.1163.8-146.900109.5
289F49Very low48.2Very low172 Ų172143.7 Ų143.775%0.75481%0.813SS**PPolyproline II helixtrans-72.9130.4-172.1-90.9-91000112.1Y287 S291Y287-F289 HydrophobicContact CD1-CD2 4.1Å; Y287-F289 HydrophobicContact CD1-CE2 4.11Å; Y287-F289 HydrophobicContact CD1-CG 4.41Å; Y287-F289 HydrophobicContact CD1-CZ 4.42Å; Y287-F289 HydrophobicContact CE1-CD1 4.11Å; Y287-F289 HydrophobicContact CE1-CD2 4.29Å; Y287-F289 HydrophobicContact CE1-CE1 4.21Å; Y287-F289 HydrophobicContact CE1-CE2 4.38Å; Y287-F289 HydrophobicContact CE1-CG 4.16Å; Y287-F289 HydrophobicContact CE1-CZ 4.34Å; F289-S291 PolarHBondContact O-N 3.42Å
290P59.4Low47.9Very low95 Ų95148.8 Ų148.862%0.61782%0.819SS**PPolyproline II helixtrans-71.1123172.629-33.2000110.8
291S44.1Very low47.4Very low104 Ų104146.4 Ų146.473%0.72782%0.817SS**SBendtrans-60.8154.6166.7-62.30000111.5F289F289-S291 PolarHBondContact O-N 3.42Å
292N43.1Very low47.2Very low166 Ų166142.2 Ų142.289%0.88881%0.81SS**  trans85.272.6172.3-44.7-25.7000116.1
293A41.9Very low46.9Very low99 Ų99145 Ų14582%0.81881%0.811SS**  trans-148.460.8166.700000113
294V49.9Very low46.4Very low144 Ų144145.5 Ų145.587%0.87381%0.811SS**  trans-135.3105.1166.4176.40000108.6
295E48.7Very low46Very low199 Ų199144.6 Ų144.693%0.9381%0.806SS**  trans-87160.1169.9-68.5-166.7134.700111.4
296S43.9Very low45.2Very low127 Ų127141.6 Ų141.689%0.88880%0.804SS**  trans-111.6149.8-160.858.70000114.6
297G42.3Very low44.9Very low85 Ų85139.6 Ų139.688%0.87680%0.797SS**  trans167.1109.7164.700000113.6
298G41.4Very low44.1Very low78 Ų78141.9 Ų141.980%0.80481%0.806SS**  trans160.255.5179.200000116.2
299T37.6Very low43.2Very low130 Ų130137.1 Ų137.180%0.79880%0.804SS**  trans-62.8128.4-174.7-48.80000115.3
300Y46.4Very low42.6Very low225 Ų225135.1 Ų135.188%0.88280%0.801SS**  -157.6161.113050.3-98.1000112.1
301E38.3Very low41.6Very low179 Ų179142 Ų14284%0.83682%0.816SS**  trans-108.7156.5-153.3-46.6177.1126.300114.8
302A39.8Very low41.1Very low85 Ų85142.8 Ų142.870%0.70282%0.822SS**  175.6119.8114.300000114.7
303K39.1Very low40.9Very low193 Ų193139 Ų13984%0.83981%0.814SS**  trans60.1137.7142-58.8-177.7178.3173.60120
304T41.5Very low40.6Very low107 Ų107142.4 Ų142.466%0.65681%0.812SS**  cis-164.1136.6-4.212.60000111.7
305Q40.3Very low40Very low184 Ų184141.8 Ų141.886%0.8681%0.805SS**  trans62.2154.4147.3-63172.2-17.400121.4
306S38.5Very low39.4Very low110 Ų110139.5 Ų139.577%0.76979%0.794SS**  cis-173.9162.2-37.3-159.40000111.7
307S45.1Very low39.1Very low105 Ų105141.5 Ų141.573%0.73479%0.787SS**  trans86.5112165.2-150.90000117.2
308Y37.6Very low38.8Very low217 Ų217141.8 Ų141.885%0.85178%0.775SS**  cis79.8131.245.5-87.3-81.9000116.8
309G39.9Very low38.7Very low75 Ų75142.7 Ų142.777%0.77377%0.769SS**  trans159.876167.100000116
310D35.8Very low38.8Very low130 Ų130145.5 Ų145.570%0.69577%0.771SS**  trans-80.7171.8169.9-70.7-72.2000113.3
311Y39.4Very low38.5Very low240 Ų240141 Ų14194%0.94176%0.762SS**  170.8162.6118.6-88.2-60000113.5
312S32.8Very low38.5Very low120 Ų120139.7 Ų139.784%0.83976%0.755SS**  trans-146.8137.2-173.5175.70000113.1
313A38.7Very low38.4Very low87 Ų87143.9 Ų143.972%0.71976%0.758SS**  trans-178.2119.5163.700000107.9
314Q36.7Very low38.1Very low170 Ų170146 Ų14679%0.79476%0.761SS**  92.3134.469.4-88.2-160.6-21.400115.4
315N37Very low37.8Very low132 Ų132145.5 Ų145.571%0.70676%0.762SS**  trans65.8153.5156.9-66.714.2000119.3
316E36.1Very low37.5Very low150 Ų150142.2 Ų142.270%0.70175%0.754SS**  cis-164.9179-33.1-146.6-174.6-179.700109.4
317F37Very low37.4Very low170 Ų170146.5 Ų146.575%0.74676%0.759SS**  trans66.296.7161.1-90.7-100000123
318S36.3Very low36.8Very low91 Ų91146.3 Ų146.364%0.63676%0.756SS**  83.2128.6107.7-1570000123.9
319S38.6Very low36.8Very low97 Ų97143.2 Ų143.268%0.67876%0.755SS**  trans66.7106.8142.4-66.40000120.1
320K40.1Very low36.6Very low189 Ų189144.8 Ų144.882%0.82275%0.754SS**  -178.6148.366.8-104149.3-176.7173.20114.5
321N39.6Very low37Very low130 Ų130144.8 Ų144.870%0.69576%0.758SS**  trans49.8119.9142.8-67.9-3.3000124.1
322H39.3Very low37Very low152 Ų152139.7 Ų139.770%0.70475%0.747SS**  107.8131119-84.926.4000122.1
323F37.4Very low37.5Very low173 Ų173138 Ų13876%0.75974%0.735SS**  trans53.591.2157.3-70.1-71.7000122.5
324R33.2Very low37.5Very low237 Ų237144.3 Ų144.389%0.89474%0.741SS**  27.2109116.3-172.4-169.3-160.1-176.37.8117.7
325S34.7Very low38Very low97 Ų97141.5 Ų141.568%0.67874%0.735SS**  172.3141.3114.6-168.30000115.4
326T34Very low38.3Very low114 Ų114141.3 Ų141.370%0.69973%0.734SS**  trans52.8120.3148.644.80000123.7
327K35.4Very low38.6Very low200 Ų200139.8 Ų139.887%0.8773%0.73SS**  trans66.2171.1153.6-57.5-179.9175.4179.30114.4
328C33.2Very low39Very low101 Ų101137 Ų13768%0.68272%0.723SS**  cis-146.9168.211.5-38.60000112.1
329N37.3Very low39.5Very low152 Ų152138.4 Ų138.481%0.81372%0.724SS**  trans39.9134.7143.2-47.9-8.6000121.2
330S36.3Very low39.7Very low108 Ų108140.9 Ų140.976%0.75573%0.729SS**  cis92.5149.628.4-164.70000116.1
331V42.8Very low39.9Very low131 Ų131134.9 Ų134.979%0.79472%0.722SS**  trans78.8142.8173.5-173.90000115
332D41.4Very low40Very low133 Ų133136 Ų13671%0.71173%0.727SS**  cis-116-1506.1-162.130.9000110.1
333S41.8Very low40.4Very low84 Ų84133.6 Ų133.659%0.58772%0.724SS**  cis-161.2147.91.875.80000115.7
334R40.2Very low40.7Very low219 Ų219134 Ų13483%0.82673%0.727SS**  trans60.9139.3138-69.8174.4-171.8-161.3-1120.7
335V46.3Very low41Very low112 Ų112126.3 Ų126.368%0.67972%0.715SS**  cis-162.4146-3.2103.10000112.8
336N42.4Very low41.2Very low127 Ų127127 Ų12768%0.67972%0.719SS**  trans51.3150.2157.8-64.28.4000121.1
337N43Very low41.6Very low118 Ų118129.9 Ų129.963%0.63173%0.725SS**  cis-172.2171.5-4.3-99.77.3000106.8
338N46.4Very low41.9Very low112 Ų112124.9 Ų124.960%0.59972%0.716SS**  cis-164.6159-6.4-114.37.7000110.7
339N45.9Very low42Very low121 Ų121128 Ų12865%0.64773%0.725SS**  trans39.7144.5134.1-55.38.7000122.3
340N43.8Very low42.2Very low148 Ų148124.6 Ų124.679%0.79173%0.726SS**  cis-167.3163.90.2-104.84.2000111.6
341G42.7Very low42.4Very low64 Ų64129.7 Ų129.766%0.6674%0.735SS**  trans100.9120.2163.100000115.3
342D43.2Very low42.4Very low152 Ų152128.7 Ų128.781%0.81373%0.734SS**  cis86.713645.9-65.9-40.8000113.3
343T46.5Very low42.2Very low102 Ų102130.7 Ų130.763%0.62674%0.743SS**  cis-161.6159.7-1.180000113.4
344H43.1Very low42Very low181 Ų181130 Ų13084%0.83875%0.749SS**  trans59.3169.2152.2-61.8-48.4000122.3
345A39.8Very low42.3Very low77 Ų77128.7 Ų128.764%0.63675%0.753SS**  -176.5156.3-53.900000111.6
346S39.9Very low41.7Very low110 Ų110129.6 Ų129.677%0.76976%0.758SS**  trans68.4158.3157.8-65.80000119.9
347Q42.7Very low41.6Very low175 Ų175131.4 Ų131.482%0.81877%0.766SS**  cis-166.4158.2-39.3-126.2-176.227.400111.4
348S40.2Very low41.4Very low96 Ų96131.4 Ų131.467%0.67177%0.77SS**  trans73125.8151.181.50000124.5
349N36.7Very low41.5Very low166 Ų166132.2 Ų132.289%0.88878%0.779SS**  trans49.2122.1132-57.5-14.1000123.4
350G40.8Very low41.3Very low81 Ų81131.8 Ų131.884%0.83578%0.783SS**  trans-172.5118.1158.600000114.3
351K41.5Very low40.8Very low215 Ų215136 Ų13694%0.93579%0.788SS**  trans-81.2145.6-178.7-55165.2-178.4173.40111.7
352S42Very low40.5Very low110 Ų110139.3 Ų139.377%0.76979%0.79SS**  159.2124.1121.7-174.60000115.5
353L37.9Very low40.4Very low174 Ų174141 Ų14191%0.91179%0.793SS**  trans26.4124.3137-153.394.5000121.4
354G37.7Very low40Very low69 Ų69140.7 Ų140.771%0.71180%0.796SS**  trans139.6131.4139.500000119.8
355Q45.2Very low40Very low193 Ų193138 Ų13890%0.90279%0.792SS**  trans58.8100.3152-64.9-174.5-18.700122.1
356V34.4Very low40Very low130 Ų130141.4 Ų141.479%0.78880%0.795SS**  12.1126.1122-1710000118.6
357I39.2Very low40Very low166 Ų166144.2 Ų144.285%0.85179%0.793SS**  -170.3154.6126.5-99.9159.2000111.4
358V38.8Very low39.9Very low118 Ų118145 Ų14572%0.71579%0.794SS**  trans-87.7147.8-174.7-169.50000109.6
359T48.5Very low40Very low129 Ų129147.4 Ų147.479%0.79180%0.799SS**  170.7152.791.4-49.10000109.2
360P42.2Very low40.2Very low111 Ų111147.4 Ų147.472%0.72180%0.799SS**  trans-115.4-178.1-162.642.7-34.5000115.3
361R33.3Very low40.6Very low238 Ų238150.7 Ų150.790%0.89880%0.796SS**  trans-169.2133.5133.3-158.2164.5-178.6117.9-2.8116.4
362N37.7Very low41.3Very low133 Ų133149.8 Ų149.871%0.71179%0.792SS**  trans-39.9147.1176.4-47.7-9.8000121
363Q41Very low41.6Very low186 Ų186150.5 Ų150.587%0.86979%0.794SS**  176.9150.9120.8-94.3161105.300109.6
364S37.8Very low42.1Very low97 Ų97153.5 Ų153.568%0.67879%0.793SS**  cis-167.8173.1-20.8-105.20000110.9
365T42.1Very low43.1Very low124 Ų124155.4 Ų155.476%0.76179%0.793SS**  trans74.5113167.6660000121.2
366E41.1Very low43.4Very low149 Ų149151.9 Ų151.970%0.69679%0.787SS**  52.9140.1124.3-62.3-163.9143.100121
367K38.6Very low43.8Very low169 Ų169150 Ų15074%0.73578%0.78SS**  cis-162.5160.68.8-102.9149.9178.6148.90106.2
368K41.2Very low44Very low191 Ų191148.8 Ų148.883%0.8378%0.784SS**  cis-170.3136.2-10.7166.9-162.8167.5-168.80107.2
369D41.5Very low44Very low147 Ų147149 Ų14979%0.78678%0.781SS**  trans-90.6167.9-175.7-65.3-67.8000116.7
370N41.3Very low43.5Very low165 Ų165150.8 Ų150.888%0.88279%0.785SS**  trans-125.693.7-173.6-160.3-4.7000110.5
371I49.7Very low43.3Very low150 Ų150154.4 Ų154.477%0.76980%0.797SS**  trans-123.9130.3-176.9-60.3178.2000109.2
372K56.6Low43.6Very low196 Ų196150.2 Ų150.285%0.85279%0.793SS**PPolyproline II helixtrans-73.9137.4-179.4-65-177.1179.2-178.10111.2
373P48.9Very low43.5Very low126 Ų126148.6 Ų148.682%0.81879%0.792SS**PPolyproline II helixtrans-76.1152.6179.631.5-35.3000112.8
374R48.1Very low43.3Very low236 Ų236148.8 Ų148.889%0.89179%0.791SS**PPolyproline II helixtrans-92.7139.3171.2-166.8-176.6-164.5-174.75109.1
375P58.5Low43.3Very low110 Ų110150.8 Ų150.871%0.71479%0.793SS**PPolyproline II helixtrans-66.1153.7174.227.8-34.5000111.9
376P51.2Low42.9Very low119 Ų119150.9 Ų150.977%0.77380%0.799SS**PPolyproline II helixtrans-76.9164.7-174.232.6-36.9000113.7
377S42.8Very low42.5Very low91 Ų91146.8 Ų146.864%0.63680%0.797SS**PPolyproline II helixtrans-71.1151.6167.150.40000111.5D379S377-D379 VanDerWaalsContact C-N 3.35Å; S377-D379 WeakPolarHBondContact CB-OD2 3.28Å; S377-D379 PolarHBondContact O-N 3.3Å; S377-D379 PolarHBondContact OG-OD2 3.25Å
378C43Very low42.2Very low139 Ų139146.6 Ų146.694%0.93980%0.804SS**  trans-92.469.8173-67.70000110.3
379D38.5Very low41.7Very low122 Ų122143.1 Ų143.165%0.65280%0.804SS**  trans-90.9156.4163.2-57.2-75000109.1S377S377-D379 VanDerWaalsContact C-N 3.35Å; S377-D379 WeakPolarHBondContact CB-OD2 3.28Å; S377-D379 PolarHBondContact O-N 3.3Å; S377-D379 PolarHBondContact OG-OD2 3.25Å
380L38.7Very low41.3Very low167 Ų167143.6 Ų143.687%0.87481%0.805SS**  trans73.788.9-175.1-53.7170.9000116.8
381L38.6Very low41Very low187 Ų187140.8 Ų140.898%0.97979%0.794SS**  trans-141.994.6132.1-105178.8000108
382D38Very low40.1Very low150 Ų150143.3 Ų143.380%0.80280%0.799SS**  trans-120.3150.6-176.9-155.5-12.4000110
383S36.1Very low39Very low100 Ų100138.2 Ų138.270%0.69979%0.788SS**  trans56.499.9177.3-1650000118.4
384F37.7Very low38.4Very low190 Ų190140 Ų14083%0.83379%0.791SS**  -155.9127.9129.1-109-65.6000111.9
385N36.5Very low38Very low138 Ų138136.6 Ų136.674%0.73879%0.785SS**  trans47.495.2164.9-58.8-24000117.4
386S34.2Very low36.8Very low126 Ų126140 Ų14088%0.88179%0.794SS**  74.8125.872.1-172.50000114.5
387G32.8Very low36.2Very low64 Ų64141.2 Ų141.266%0.6679%0.792SS**  trans109.546.1155.700000119.1
388N33.3Very low35.7Very low165 Ų165144.7 Ų144.788%0.88280%0.803SS**  trans-174.5135.7132.7-97.7-20.2000113
389S30Very low35.5Very low118 Ų118143.1 Ų143.183%0.82579%0.785SS**  trans-97.2116.7171.755.40000110.5
390I32.3Very low35.4Very low157 Ų157143.1 Ų143.181%0.80578%0.78SS**  trans-123.9140.7163.9-66.3-178.7000108.2
391T35.6Very low35.4Very low105 Ų105142 Ų14264%0.64478%0.775SS**  trans-70.3156.3-17344.40000112.9S393T391-S393 PolarHBondContact O-N 3.47Å
392K31.7Very low35.3Very low204 Ų204137.1 Ų137.189%0.88776%0.761SS**  trans-55138.2160.8-68.3-176.3175.2-173.40109.7
393S33.3Very low35.2Very low88 Ų88135.6 Ų135.662%0.61575%0.752SS**  trans-149.5109.9170.756.10000109T391 Q395T391-S393 PolarHBondContact O-N 3.47Å; S393-Q395 PolarHBondContact O-N 3.12Å
394D35Very low35.4Very low164 Ų164136.1 Ų136.188%0.87775%0.754SS**  trans-75.689.5177.5-61.6-67.3000109.8
395Q39.6Very low35Very low165 Ų165133.9 Ų133.977%0.77175%0.751SS**  trans-144.2145.5174.4-67.1-169.3-5.200110.8S393S393-Q395 PolarHBondContact O-N 3.12Å
396M33.1Very low34.8Very low182 Ų182132.1 Ų132.190%0.89775%0.75SS**  trans69134.2-165-49.7-174.7-73.400112.4
397I38.8Very low34.8Very low143 Ų143132.1 Ų132.173%0.73375%0.747SS**  cis-130.498.426.7-59.3169.8000111.5L399I397-L399 HydrophobicContact CG2-CB 3.49Å; I397-L399 VanDerWaalsContact CG2-CB 3.49Å; I397-L399 HydrophobicContact CG2-CD2 4.3Å
398D33.9Very low34.8Very low164 Ų164135.9 Ų135.988%0.87776%0.757SS**  trans-95101.3152.2-78.1-48000107.8
399L37.7Very low34.8Very low106 Ų106133.4 Ų133.456%0.55575%0.752SS**  trans-147.728.3-171-159.467.1000113.5I397I397-L399 HydrophobicContact CG2-CB 3.49Å; I397-L399 VanDerWaalsContact CG2-CB 3.49Å; I397-L399 HydrophobicContact CG2-CD2 4.3Å
400F37.1Very low34.7Very low123 Ų123134.4 Ų134.454%0.53975%0.754SS.*SBendtrans-132-20.3175.9-112.2-79000116.5
401D37.3Very low34.6Very low144 Ų144132.9 Ų132.977%0.7775%0.752SS**G310 helixtrans-78.6-30.4169.9-70-47.4000112.4I403 C404D401-I403 PolarHBondContact O-N 3.36Å; D401-C404 PolarHBondContact O-N 2.81Å
402A37.3Very low34.7Very low84 Ų84134.8 Ų134.869%0.69476%0.764SS**G310 helixtrans-68.75.6-179.100000115.9
403I36.4Very low34.9Very low118 Ų118128.4 Ų128.461%0.60576%0.756SS**G310 helixtrans-107.2-11-178.5-61.8178000111.8D401D401-I403 PolarHBondContact O-N 3.36Å
404C39Very low35.2Very low111 Ų111131 Ų13175%0.7577%0.767SS**SBendtrans-82.3-26.4179.5-69.90000113.7D401D401-C404 PolarHBondContact O-N 2.81Å
405D30.3Very low35.3Very low143 Ų143131.9 Ų131.977%0.76577%0.766SS**  trans-96.7105.7-179-78.1-46.1000112.5
406S31.4Very low35.1Very low101 Ų101129 Ų12971%0.70676%0.764SS**  trans-153.297.2167.4-79.70000109.8T408S406-T408 PolarHBondContact O-N 2.89Å
407P34.7Very low35.4Very low126 Ų126129 Ų12982%0.81876%0.762SS**  trans-76.4110-173.429.3-33.9000111.5S409P407-S409 PolarHBondContact O-N 3.33Å
408T33.2Very low35.1Very low143 Ų143132.5 Ų132.588%0.87777%0.766SS**  trans-73.189.3169.331.20000110.7S406S406-T408 PolarHBondContact O-N 2.89Å
409S33.4Very low35.4Very low113 Ų113133.2 Ų133.279%0.7976%0.764SS**  trans-72.6124.3178.647.20000112.5P407P407-S409 PolarHBondContact O-N 3.33Å
410T28.2Very low35.4Very low138 Ų138136.9 Ų136.985%0.84778%0.778SS**  trans-82.1115.5175.3-61.70000110.5
411T30.4Very low35.6Very low125 Ų125136.5 Ų136.577%0.76779%0.788SS**  trans-156.4114.6162.6-75.80000112.4
412T36.1Very low35.6Very low146 Ų146133.7 Ų133.790%0.89679%0.785SS**  trans170.8152.1145.124.80000106.7
413G37.4Very low35.6Very low70 Ų70138.5 Ų138.572%0.72279%0.793SS**  cis174120.8-3.500000107.6H415G413-H415 PolarHBondContact O-N 3.09Å
414V38Very low35.4Very low142 Ų142141.6 Ų141.686%0.86181%0.807SS**  trans-70.3125.2-163.91790000113.3
415H37.5Very low34.7Very low182 Ų182145.2 Ų145.284%0.84381%0.813SS**  trans-147.6152.6144.6-129.965000113G413G413-H415 PolarHBondContact O-N 3.09Å
416S36.4Very low34.8Very low104 Ų104147.6 Ų147.673%0.72782%0.817SS**  trans-149.7112.4-170.7179.40000111.8
417Q39.5Very low34.6Very low182 Ų182152.1 Ų152.185%0.8582%0.824SS**  trans-151.884.9165.6-159.4153.7-6.200114.7
418R32.5Very low34.7Very low217 Ų217152 Ų15282%0.81982%0.82SS**  trans6110.4144.2-172.7-157.8-171.8-1673.8118.4
419Q40.6Very low34.7Very low179 Ų179152.2 Ų152.284%0.83682%0.816SS**  -172.1163.4119.4-104.2164.587.500112.9
420Q37.7Very low34.7Very low183 Ų183157.8 Ų157.886%0.85582%0.82SS**  trans-125.3-177.1176.7-43.4177.4-10.400108.3
421P40.3Very low35.1Very low115 Ų115156.8 Ų156.875%0.74782%0.816SS**  cis-133.5-161.5-8.236.7-15.6000113.6
422A38.4Very low35.4Very low86 Ų86159.5 Ų159.571%0.71182%0.817SS**  trans99.598.8148.500000121.2
423Q36.3Very low35.4Very low185 Ų185159.6 Ų159.686%0.86481%0.812SS**  trans71.8151.6130.3-66.8-161.8-1000123.8
424M31.6Very low35.4Very low182 Ų182162.5 Ų162.590%0.89782%0.816SS**  trans78.3139.9162-99.4175175.400120.1
425E25.1Very low35.3Very low187 Ų187163 Ų16387%0.87481%0.812SS**  trans-73.5148.4178-59.7164.492.200110.9
426F31.8Very low35.3Very low193 Ų193160 Ų16085%0.84681%0.807SS**  trans-141.2146.6150.1-148.8-97.7000112.9V428F426-V428 HydrophobicContact CD1-CG2 4.26Å
427K27.7Very low35.4Very low196 Ų196161 Ų16185%0.85281%0.812SS**  trans-108.9112.2-170.5-178.9-179-177.2177.90108.3
428V37.4Very low35.6Very low123 Ų123158.5 Ų158.575%0.74581%0.814SS**  trans-109.6136.3-174.6-176.10000111.1F426F426-V428 HydrophobicContact CD1-CG2 4.26Å
429N33.4Very low35.6Very low148 Ų148151.8 Ų151.879%0.79181%0.813SS**  trans-107.9146.4-178.4-173.328.3000109.8
430W32.8Very low35.4Very low230 Ų230150 Ų15087%0.87181%0.813SS**  trans-93129.7-178.8-72.296.4000111.8
431P36.8Very low35Very low117 Ų117146.8 Ų146.876%0.7681%0.811SS**  trans-79.5171174.534.3-35.5000112.2
432K37.5Very low34.8Very low183 Ų183149.1 Ų149.180%0.79682%0.817SS**  trans-116.6168.1177.2-71.2-171.5173.8-174.80112.6
433D35.7Very low34.6Very low147 Ų147151.9 Ų151.979%0.78682%0.819SS**  trans78166.4156.7-51.6-42.1000118.5
434V36.9Very low34.3Very low131 Ų131148.4 Ų148.479%0.79481%0.811SS**  trans106.2100.2169-174.10000117.8
435L35.3Very low34.5Very low152 Ų152147.6 Ų147.680%0.79681%0.81SS**  trans83.8104.5148.2-65.4169.3000123.8
436T38Very low34.8Very low120 Ų120144.2 Ų144.274%0.73681%0.807SS**  trans13.6143.113053.80000122.8
437P38.2Very low35.1Very low126 Ų126140.5 Ų140.582%0.81880%0.8SS**  trans-92.2170.3179.239.5-37.9000115.5
438S43.5Very low35.5Very low128 Ų128139.2 Ų139.290%0.89580%0.797SS**  trans-141.4142.8166.1-710000110.1
439G33.9Very low35.2Very low77 Ų77140.6 Ų140.679%0.79480%0.8SS**  trans-103.1163.6-171.400000115.9
440V35.2Very low35.4Very low141 Ų141142.7 Ų142.786%0.85581%0.805SS**  trans-143.5136.5172.9-174.60000109.4
441S29.5Very low35.2Very low115 Ų115136.4 Ų136.480%0.80480%0.802SS**  trans-134.4114.8179.1-62.40000112.3
442L35.9Very low35.2Very low165 Ų165138.6 Ų138.686%0.86481%0.806SS**  trans-161154.7169.1-72.5-177.8000107.8
443N34Very low35Very low143 Ų143135.9 Ų135.977%0.76581%0.805SS**  cis-155.9169.2-30.2-171.521.3000107.3
444T30.4Very low34.6Very low112 Ų112135.3 Ų135.369%0.68780%0.801SS**  trans-73.7161-175.257.40000115
445N34.8Very low34.5Very low166 Ų166135.2 Ų135.289%0.88881%0.805SS**  trans-161.8153.2137.5-100.8-42.5000111
446S31.8Very low34.4Very low115 Ų115135.3 Ų135.380%0.80480%0.801SS**  trans-150.2128.7-176.6174.40000110.6
447V38Very low34.2Very low116 Ų116136.7 Ų136.770%0.70380%0.804SS**  trans-145.7102.6-178.6-176.60000112.7
448Q36.5Very low34.4Very low168 Ų168135.7 Ų135.779%0.78580%0.798SS**  trans66.4150.8142.6-62.7174-40.700122.3
449N31.4Very low33.8Very low153 Ų153136.2 Ų136.282%0.81879%0.79SS**  trans-116.5153.6-179.1-40.5-78.1000110.8
450H37.7Very low33.9Very low191 Ų191139.7 Ų139.788%0.88479%0.791SS**  trans-140.2144.5157.1-67.9-68.9000110.1
451A29Very low33.7Very low98 Ų98140.1 Ų140.181%0.8179%0.787SS**  trans-148.9137.2-175.300000112.5
452I36Very low34Very low163 Ų163141.3 Ų141.384%0.83678%0.784SS**  trans-149.6103.9174.7-57.3-178.7000106.2
453T33.3Very low33.8Very low126 Ų126140.3 Ų140.377%0.77378%0.779SS**  82.79186.5-50.60000116.1
454L28.1Very low34Very low135 Ų135140.8 Ų140.871%0.70778%0.782SS**  trans24.6129.7135.9-154.486.7000121.8
455C33.6Very low34.3Very low130 Ų130144 Ų14488%0.87879%0.789SS**  trans-153.5176.4143.6-122.80000110.5
456Q34.3Very low34.2Very low154 Ų154145.5 Ų145.572%0.7279%0.788SS**  trans-131.5160.9-154.5-57171.2-70.900116.7
457N33.4Very low34.4Very low149 Ų149143.5 Ų143.580%0.79779%0.785SS**  trans81.1156.9154.3-64.9-18.5000119.8
458P41.3Very low34.3Very low105 Ų105145.2 Ų145.268%0.68279%0.791SS**  trans-124.7-164.3-151.144.1-29.1000115.9
459D32.5Very low34.1Very low138 Ų138146.8 Ų146.874%0.73880%0.795SS**  trans93125.1165.6-57.8-22.8000119.1
460N34.5Very low34.5Very low151 Ų151145.2 Ų145.281%0.80779%0.791SS**  trans72.1115173.4-45.7-84.6000118
461L32.7Very low34.4Very low150 Ų150141.7 Ų141.779%0.78579%0.788SS**  176.7155.2119.3-128.271000112
462L34Very low34.5Very low139 Ų139141.5 Ų141.573%0.72879%0.787SS**  trans66127.5161.7-56.6162.6000116
463D32.1Very low34.5Very low144 Ų144139.5 Ų139.577%0.7779%0.787SS**  cis57.3118.27.4-79.4-18.5000117
464N38.6Very low34.7Very low153 Ų153138.9 Ų138.982%0.81879%0.788SS**  trans81.392.6179-45.6-79000117.3
465E36.6Very low35.1Very low181 Ų181138.4 Ų138.485%0.84679%0.791SS**  trans-151.1163.1132.7-139.2175.2158.100110.7
466F33.4Very low35.2Very low197 Ų197139.7 Ų139.786%0.86478%0.784SS**  trans55.492.9-170.4-74.9-89.5000115
467G36.6Very low35.3Very low72 Ų72141.4 Ų141.474%0.74279%0.789SS**  cis104123.411.200000111.7
468D35.9Very low35.5Very low152 Ų152139.4 Ų139.481%0.81378%0.784SS**  trans-64.2145.1-171.6-76.4-68.1000114.6
469F30.6Very low35.4Very low201 Ų201139.7 Ų139.788%0.88278%0.784SS**  trans-133.877.3160.8-145.8-86.8000111.2
470T40Very low35.6Very low120 Ų120139.8 Ų139.874%0.73678%0.784SS**PPolyproline II helixtrans-80.2137.7169.847.70000110.6A472T470-A472 PolarHBondContact O-N 3.04Å
471S36.4Very low35.8Very low118 Ų118138.4 Ų138.483%0.82578%0.781SS**PPolyproline II helixtrans-63.9123.7-173-52.70000112.4
472A30.8Very low35.9Very low94 Ų94134.8 Ų134.878%0.77778%0.781SS**PPolyproline II helixtrans-66.1152.4-176.100000114.1T470T470-A472 PolarHBondContact O-N 3.04Å
473S36.8Very low36Very low121 Ų121133.3 Ų133.385%0.84678%0.782SS**  trans-145.797156.2-79.30000110.4
474S35.9Very low36.2Very low113 Ų113132 Ų13279%0.7978%0.779SS**  trans32.4117.4149-53.40000120.1
475V38.3Very low36Very low125 Ų125132.1 Ų132.176%0.75878%0.778SS**  178.8120.5112.9150.30000111.3
476Q35.8Very low35.9Very low157 Ų157128.7 Ų128.773%0.73477%0.774SS**  trans33.8111.4143.6-52.9-176.5-40.200119.2
477F35.1Very low35.9Very low190 Ų190124.2 Ų124.283%0.83377%0.768SS**  93.4153.272.3-80.5-35.6000114.3
478P38.9Very low36Very low106 Ų106127.5 Ų127.569%0.68877%0.767SS**  -143-163.2-56.832.6-8.7000114.5
479V38.5Very low36Very low112 Ų112127.5 Ų127.568%0.67977%0.767SS**  trans102.2104.2148.9-171.10000120.8
480N36.3Very low36.2Very low139 Ų139121.2 Ų121.274%0.74376%0.76SS**  trans61.2157.5138-61.87.4000123
481T38.3Very low36.1Very low122 Ų122123.9 Ų123.975%0.74877%0.767SS**  cis-166.2134.2-24.430.80000109.8
482G34.8Very low35.8Very low75 Ų75127.2 Ų127.277%0.77377%0.767SS**  trans67.2169.1160.200000117.6
483S36.6Very low35.9Very low107 Ų107132.1 Ų132.175%0.74877%0.771SS**  cis-175170.1-20.447.60000110.3
484T36.2Very low35.9Very low118 Ų118130.4 Ų130.472%0.72476%0.759SS**  trans82.3103156.450.70000123.4
485I33.8Very low35.7Very low154 Ų154132.2 Ų132.279%0.7976%0.76SS**  trans52.3144.8131.1-11.6158.7000123.4
486S36Very low35.5Very low110 Ų110135.3 Ų135.377%0.76976%0.764SS**  trans88.8146.7148.9-590000119
487S33.4Very low35.6Very low103 Ų103131.9 Ų131.972%0.7276%0.757SS**  cis-172.4176.2-23.4-164.10000110.2
488L37.5Very low35.5Very low140 Ų140129.9 Ų129.973%0.73376%0.755SS**  trans81.6125160.6-58.6161.5000120.6
489D35.8Very low35.4Very low152 Ų152130.1 Ų130.181%0.81376%0.755SS**  trans45.5142.3132.4-45.4-15.7000121.8
490G35.3Very low35.4Very low70 Ų70133.7 Ų133.772%0.72276%0.764SS**  cis164.8-163.20.100000112.8
491I37.9Very low35.3Very low175 Ų175131.7 Ų131.790%0.89777%0.767SS**  trans91.5139.3170.3-54.1177.6000118.3
492F29.9Very low34.9Very low189 Ų189131.8 Ų131.883%0.82977%0.771SS**  trans-85.1166.7-173.2-98.6-121.5000115.3
493F33.7Very low35.3Very low196 Ų196133.6 Ų133.686%0.8677%0.77SS**  -171164.7108.5-109.1-78.4000114.9
494S36.1Very low35.2Very low85 Ų85133.4 Ų133.459%0.59477%0.768SS**  trans-90.7144.5-167.554.30000114.8
495N31.7Very low35.1Very low151 Ų151134.7 Ų134.781%0.80777%0.77SS**  89.2169.168.4-153.14.1000114.6
496F34.3Very low35.3Very low190 Ų190134.2 Ų134.283%0.83377%0.765SS**  trans90150.1-173.2-65.2-81.1000117.3
497S37Very low35.2Very low85 Ų85135.3 Ų135.359%0.59476%0.762SS**  cis179.9130.9-42.1-97.40000112.6
498N33.8Very low35.2Very low149 Ų149134.3 Ų134.380%0.79776%0.755SS**  trans56.3174.1155.5-52.8-6.2000118
499T36.6Very low35.3Very low111 Ų111135.4 Ų135.468%0.68176%0.756SS**  cis-159.2130.317.8-8.20000107.6
500E37.6Very low35.2Very low186 Ų186135.4 Ų135.487%0.86975%0.751SS**  100.4157.293.3-101-173.9159.600118.8
501A35.9Very low35.3Very low97 Ų97138.7 Ų138.780%0.80275%0.752SS**  trans91.4136.1157.100000123.7
502C29.3Very low35.1Very low124 Ų124139.1 Ų139.184%0.83875%0.748SS**  trans-137.5-155.7169.4-52.20000107.8
503P42.9Very low35.4Very low114 Ų114139.2 Ų139.274%0.7475%0.75SS**  cis-130.2-169.4-33.330.3-8.3000113.4
504S34.5Very low35.4Very low102 Ų102135.1 Ų135.171%0.71374%0.742SS**  trans132.7119.6130.8-55.40000121.7
505N33.4Very low35.4Very low145 Ų145139.2 Ų139.278%0.77575%0.752SS**  84.2139.1128.3-100.7-27.7000128.8
506Q38.8Very low35.3Very low144 Ų144139.9 Ų139.967%0.67375%0.75SS**  trans89.6121.3140.2-77-179.339.800126.2
507N34.4Very low35.3Very low134 Ų134139.7 Ų139.772%0.71775%0.749SS**  trans63.5157.8132.3-61.3-15.6000122.4
508S32.9Very low35.1Very low81 Ų81144 Ų14457%0.56676%0.757SS**  cis-172.1-179.6-32.453.60000110.8
509H39Very low35Very low164 Ų164143.6 Ų143.676%0.75975%0.75SS**  trans82.4161.9172.9-52.1-78.7000119.3
510Q35.2Very low34.9Very low152 Ų152144.8 Ų144.871%0.7175%0.748SS**  -168.4162.1-50.5-144.6170.4100111.5
511N36.1Very low34.7Very low138 Ų138143.2 Ų143.274%0.73874%0.741SS**  trans71.8166.8165.7-56.2-32000119
512K33.7Very low34.4Very low185 Ų185147.4 Ų147.480%0.80474%0.744SS**  165.9127-57.6173.1-178178.8-173.90109.9
513Q36.8Very low34.6Very low190 Ų190150.1 Ų150.189%0.88874%0.744SS**  trans-153.3-165.9159.6-137164.9-9.700112.1
514T32.6Very low33.8Very low111 Ų111150.5 Ų150.568%0.68174%0.744SS**  trans-150.8179-159.8-23.20000112.3
515E36.3Very low33.8Very low171 Ų171151.8 Ų151.880%0.79975%0.747SS**  trans75.1150.8161.3-69.9162-141.600117.6
516E31Very low33.8Very low164 Ų164153.4 Ų153.477%0.76675%0.75SS**  cis174.1143.3-31.3-114.5-162.1-176.200104.9
517F34.4Very low33.3Very low187 Ų187152 Ų15282%0.8276%0.756SS**  177.2-176.4126.1-112.6-99000112
518K31.2Very low33.3Very low175 Ų175153.3 Ų153.376%0.76176%0.763SS**  trans-144.9164.7-143.2-151.2-179.1-169.3168.60112.1
519Q33.5Very low33.4Very low140 Ų140155 Ų15565%0.65477%0.772SS**  trans81.8153163.8-59.1164.3113.600115.9
520Q33.2Very low33.3Very low137 Ų137153.8 Ų153.864%0.6478%0.776SS**  cis-158.7164.6-2.1-123.6156.78.500113.1
521Q34.4Very low33.6Very low153 Ų153151.6 Ų151.672%0.71578%0.778SS**  trans38.3122151.7-69157.320.800120.1
522Q28.9Very low33.5Very low184 Ų184151.4 Ų151.486%0.8678%0.784SS**  60.911365-70.6-168.8-14.800116.3
523H32.8Very low33.6Very low181 Ų181148.4 Ų148.484%0.83879%0.787SS**  trans-145.8151.1144.9-148.9-80.3000110.2
524V27.3Very low33.8Very low123 Ų123149.2 Ų149.275%0.74579%0.787SS**  trans-125.5139.6-174175.60000110.1
525V34.5Very low34.1Very low128 Ų128149.4 Ų149.478%0.77679%0.793SS**  trans-143.5146.4161-176.90000109
526Q34Very low34.6Very low180 Ų180150.4 Ų150.484%0.84180%0.795SS**  trans-71161.3-167.1-62.3111.9-52.500116.6
527S28.3Very low35.2Very low114 Ų114148.7 Ų148.780%0.79780%0.798SS**  trans-93165.5163.753.70000112.2
528N34Very low35.6Very low161 Ų161146.9 Ų146.986%0.86180%0.795SS**  trans-137144165.2-106.8-29000109.2
529P33.9Very low36.1Very low116 Ų116146.3 Ų146.375%0.75380%0.8SS**  trans-97.1150.3-167.336.5-35.3000114.7
530T37Very low36.4Very low139 Ų139146 Ų14685%0.85380%0.802SS**  trans-138.5131.1166-59.30000111.7
531S42Very low36.5Very low107 Ų107141.8 Ų141.875%0.74880%0.796SS**  trans-16.7151.4173.4-52.60000121.7
532P33Very low37.1Very low133 Ų133141.5 Ų141.586%0.86480%0.799SS**  trans-75.3157.2-178.233-37.5000114
533S37.6Very low38.1Very low123 Ų123138.6 Ų138.686%0.8679%0.794SS**  trans-129.5164.5171.567.30000112.1
534K40.5Very low38.8Very low206 Ų206138.2 Ų138.290%0.89679%0.785SS**  trans-78.8151.8-157.1-66.3175.5178.6176.70114.6
535S37.6Very low39.9Very low115 Ų115141 Ų14180%0.80479%0.787SS**  trans-66.8162.8174.749.30000113.7
536K47.5Very low40.7Very low193 Ų193143.9 Ų143.984%0.83979%0.792SS**  trans-118.8133.2163.6-68.8-178.7178.1179.70108.7
537P44.4Very low41.3Very low127 Ų127140.6 Ų140.683%0.82578%0.78SS**PPolyproline II helixtrans-74.4153.5174.731.5-34.4000111.5
538I41.8Very low42.3Very low149 Ų149139.2 Ų139.276%0.76478%0.783SS**PPolyproline II helixtrans-93.2138.2172.6-64172.9000108.4
539N41.9Very low43Very low163 Ų163136.5 Ų136.587%0.87278%0.777SS**PPolyproline II helixtrans-77.4124.5174.1-78.8-43.9000110.8
540I39.1Very low43.6Very low133 Ų133136.9 Ų136.968%0.68277%0.772SS**PPolyproline II helixtrans-97.1143.9162.2-65.787.5000107.9
541G35.6Very low43.9Very low50 Ų50135.4 Ų135.452%0.51577%0.768SS.*PPolyproline II helixtrans-66169.9-170.800000116T543G541-T543 PolarHBondContact O-N 2.67Å
542N47.7Very low44.5Very low146 Ų146136.1 Ų136.178%0.78176%0.762SS**G310 helixtrans-63.11.1-166.4-67.1-32.9000117.2W544N542-W544 PolarHBondContact O-N 2.8Å
543T49.8Very low45.1Very low123 Ų123135.2 Ų135.276%0.75575%0.75SS**G310 helixtrans-73.5-2.4-172.751.90000115.3G541G541-T543 PolarHBondContact O-N 2.67Å
544W47.3Very low46Very low174 Ų174135.8 Ų135.866%0.65974%0.742SS**G310 helixtrans-115.612.2-168.4-64.3101000115N542 E546 L547N542-W544 PolarHBondContact O-N 2.8Å; W544-E546 PolarHBondContact O-N 3.39Å; W544-L547 HydrophobicContact CE3-CD1 4.2Å; W544-L547 HydrophobicContact CZ3-CD1 4.17Å
545K51.3Low46.6Very low180 Ų180131.9 Ų131.978%0.78373%0.731SS**THydrogen-bonded Turntrans-78-14.6-171.2-102.5-176.4174.4179.80116.6
546E49.6Very low47.4Very low189 Ų189130.4 Ų130.488%0.88372%0.721SS**THydrogen-bonded Turntrans-102-3.2-171.8-61.8-165.8147.800115W544 G548W544-E546 PolarHBondContact O-N 3.39Å; E546-G548 PolarHBondContact O-N 3.27Å
547L47.7Very low47.5Very low112 Ų112128.3 Ų128.359%0.58672%0.718SS**  trans-84.617.9177.9-91.1164000114.4W544 S549W544-L547 HydrophobicContact CE3-CD1 4.2Å; W544-L547 HydrophobicContact CZ3-CD1 4.17Å; L547-S549 PolarHBondContact O-N 3.49Å
548G48Very low47.7Very low84 Ų84125.9 Ų125.987%0.86671%0.709SS**THydrogen-bonded Turntrans-70.415.3-174.900000116.8E546E546-G548 PolarHBondContact O-N 3.27Å
549S49.4Very low48.1Very low104 Ų104125.3 Ų125.373%0.72770%0.701SS**THydrogen-bonded Turntrans-117.34.9-176.756.70000114.5L547L547-S549 PolarHBondContact O-N 3.49Å
550L47.8Very low48.3Very low124 Ų124123.6 Ų123.665%0.64970%0.699SS**  trans-122.365.9-178-105.4156.8000111.9I552L550-I552 HydrophobicContact CD2-CD1 4.1Å; L550-I552 HydrophobicContact CD2-CG1 4.06Å; L550-I552 PolarHBondContact O-N 3.31Å; L550-I552 VanDerWaalsContact O-N 3.17Å
551S42.8Very low48.5Very low109 Ų109126.1 Ų126.176%0.76271%0.708SS**  trans-75.592.5168.3540000110.5
552I53.6Low48.9Very low121 Ų121133.5 Ų133.562%0.62173%0.725SS**  trans-91104.5168.9-58.4177.2000107.9L550 L554L550-I552 HydrophobicContact CD2-CD1 4.1Å; L550-I552 HydrophobicContact CD2-CG1 4.06Å; L550-I552 PolarHBondContact O-N 3.31Å; L550-I552 VanDerWaalsContact O-N 3.17Å; I552-L554 PolarHBondContact O-N 2.88Å
553D45.5Very low48.7Very low115 Ų115137.4 Ų137.462%0.61573%0.731SS**  trans-72.287.3179.2-79.4-24.9000111.6D555 S556D553-D555 PolarHBondContact O-N 3.11Å; D553-S556 WeakPolarHBondContact O-CB 3.49Å; D553-S556 PolarHBondContact O-N 2.94Å
554L57.1Low48.3Very low135 Ų135134.4 Ų134.471%0.70773%0.725SS**G310 helixtrans-56.9-31.1177-70.1161.7000112.7I552 S556 L557 A558I552-L554 PolarHBondContact O-N 2.88Å; L554-S556 PolarHBondContact O-N 3.3Å; L554-S556 VanDerWaalsContact O-N 3.15Å; L554-L557 PolarHBondContact O-N 3.39Å; L554-L557 VanDerWaalsContact O-N 3.14Å; L554-A558 PolarHBondContact O-N 2.7Å
555D53.4Low47.9Very low124 Ų124131.6 Ų131.666%0.66374%0.738SS**G310 helixtrans-65.3-11.8175.8-81.8-11.8000114.2D553 K559D553-D555 PolarHBondContact O-N 3.11Å; D555-K559 PolarHBondContact O-NZ 3.14Å
556S53.8Low47.6Very low84 Ų84134.5 Ų134.559%0.58774%0.744SS**G310 helixtrans-89.1-20.9175.3-63.60000113.1D553 L554D553-S556 WeakPolarHBondContact O-CB 3.49Å; D553-S556 PolarHBondContact O-N 2.94Å; L554-S556 PolarHBondContact O-N 3.3Å; L554-S556 VanDerWaalsContact O-N 3.15Å
557L48.8Very low47.8Very low148 Ų148131.9 Ų131.978%0.77574%0.742SS**THydrogen-bonded Turntrans-83.7-21.5170.3-8579.8000112.4L554 K559L554-L557 PolarHBondContact O-N 3.39Å; L554-L557 VanDerWaalsContact O-N 3.14Å; L557-K559 PolarHBondContact O-N 2.78Å; L557-K559 VanDerWaalsContact O-N 3.16Å
558A50.7Low48.4Very low77 Ų77135.7 Ų135.764%0.63676%0.756SS**SBendtrans-77.89.7-176.100000115.1L554L554-A558 PolarHBondContact O-N 2.7Å
559K49.2Very low49Very low137 Ų137135.8 Ų135.860%0.59675%0.749SS**SBendtrans-128.1111.4-174.9-66.8176.2-1721080110.5D555 L557 E561D555-K559 PolarHBondContact O-NZ 3.14Å; L557-K559 PolarHBondContact O-N 2.78Å; L557-K559 VanDerWaalsContact O-N 3.16Å; K559-E561 PolarHBondContact O-N 2.99Å; K559-E561 VanDerWaalsContact O-N 3.1Å
560P46.8Very low50.2Low127 Ų127134.4 Ų134.483%0.82574%0.738SS**  trans-69.2109.2172.327.7-32.4000109.5
561E43.5Very low51.7Low186 Ų186131.6 Ų131.687%0.86973%0.728SS**  trans-62.8153.8170.5-78.4-144.3112.400111.5K559 Y563K559-E561 PolarHBondContact O-N 2.99Å; K559-E561 VanDerWaalsContact O-N 3.1Å; E561-Y563 PolarHBondContact O-N 3.08Å
562K44Very low53.1Low204 Ų204133.7 Ų133.789%0.88773%0.73SS**  trans-67.2130.4-167.7-65.4171.2-177.9171.10111G564K562-G564 PolarHBondContact O-N 3.27Å
563Y43.5Very low54.3Low228 Ų228134.6 Ų134.689%0.89473%0.731SS**  trans-53104.2174.1-81.8-93.4000112.3E561E561-Y563 PolarHBondContact O-N 3.08Å
564G41.3Very low55.9Low61 Ų61133.9 Ų133.963%0.62972%0.724SS**  trans-64140.3153.700000109.3K562 R566K562-G564 PolarHBondContact O-N 3.27Å; G564-R566 PolarHBondContact O-N 3.23Å
565A39Very low56.7Low114 Ų114131.9 Ų131.994%0.94271%0.714SS**  trans-63.1106.5-17000000112.6
566R44.5Very low57.8Low241 Ų241133 Ų13391%0.90971%0.713SS**PPolyproline II helixtrans-99.5131.4166.8-158.1170.8-171.3175.12109.3G564G564-R566 PolarHBondContact O-N 3.23Å
567T54.1Low59Low135 Ų135134.2 Ų134.283%0.82871%0.709SS**PPolyproline II helixtrans-60.9137.3-169.9480000113.4A569T567-A569 PolarHBondContact O-N 3.08Å
568Q59.1Low60.1Low191 Ų191131.5 Ų131.589%0.89370%0.696SS**PPolyproline II helixtrans-57.1132.6174.5-167.6174.127.700111
569A61.9Low60.9Low86 Ų86134.5 Ų134.571%0.71170%0.697SS**PPolyproline II helixtrans-66.6140.2-179.100000111.5T567T567-A569 PolarHBondContact O-N 3.08Å
570P73.4Confident61.8Low76 Ų76135.1 Ų135.149%0.49470%0.702SS.*PPolyproline II helixtrans-66.4140.5-179.327.8-34.8000111.3Q574P570-Q574 HydrophobicContact CB-CB 4.27Å
571S80.1Confident62.8Low65 Ų65139.2 Ų139.246%0.45570%0.701SS.*PPolyproline II helixtrans-67.6157.9-179.470.50000112.4H573 Q574 L575S571-H573 PolarHBondContact O-N 2.88Å; S571-H573 VanDerWaalsContact O-N 3.11Å; S571-Q574 WeakPolarHBondContact O-CA 3.14Å; S571-Q574 VanDerWaalsContact O-CB 3.24Å; S571-Q574 WeakPolarHBondContact O-CB 3.39Å; S571-Q574 PolarHBondContact O-N 3.12Å; S571-L575 PolarHBondContact O-N 3.26Å
572L72.9Confident63.7Low153 Ų153136.6 Ų136.680%0.80170%0.697SS**Hα-helixtrans-51.2-36.6175.9-170.775.9000112.7Q574 K576L572-Q574 VanDerWaalsContact C-N 3.32Å; L572-Q574 PolarHBondContact O-N 3.45Å; L572-K576 PolarHBondContact O-N 3.42Å; L572-K576 VanDerWaalsContact O-N 3.07Å
573H78.5Confident63.9Low139 Ų139138 Ų13864%0.64471%0.707SS**Hα-helixtrans-67.4-34.4178.7-148.6104.1000112.2S571 K576 Q577S571-H573 PolarHBondContact O-N 2.88Å; S571-H573 VanDerWaalsContact O-N 3.11Å; H573-K576 PolarHBondContact O-N 2.81Å; H573-Q577 WeakPolarHBondContact O-CG 3.32Å; H573-Q577 PolarHBondContact O-N 2.82Å; H573-Q577 VanDerWaalsContact O-N 3.1Å
574Q78.1Confident64.9Low100 Ų100133.5 Ų133.547%0.46770%0.697SS.*Hα-helixtrans-75.9-39.8179.9-139.6163.79.700111.4P570 S571 L572 K576 Q577 N578P570-Q574 HydrophobicContact CB-CB 4.27Å; S571-Q574 WeakPolarHBondContact O-CA 3.14Å; S571-Q574 VanDerWaalsContact O-CB 3.24Å; S571-Q574 WeakPolarHBondContact O-CB 3.39Å; S571-Q574 PolarHBondContact O-N 3.12Å; L572-Q574 VanDerWaalsContact C-N 3.32Å; L572-Q574 PolarHBondContact O-N 3.45Å; Q574-K576 VanDerWaalsContact C-N 3.33Å; Q574-K576 PolarHBondContact O-N 3Å; Q574-Q577 PolarHBondContact O-N 3.15Å; Q574-N578 PolarHBondContact O-N 3.06Å
575L74.1Confident66.1Low93 Ų93137.3 Ų137.349%0.48770%0.701SS.*Hα-helixtrans-58.6-43.6168.6-84.1162.3000111.7S571 N578 Q579S571-L575 PolarHBondContact O-N 3.26Å; L575-N578 PolarHBondContact O-N 2.83Å; L575-Q579 PolarHBondContact O-N 2.91Å; L575-Q579 VanDerWaalsContact O-N 3.08Å
576K76.9Confident67.6Low147 Ų147138.6 Ų138.664%0.63969%0.687SS**Hα-helixtrans-66.9-37.3179.7-162.6170.2-173.51750113.1L572 H573 Q574 Q579 Q580L572-K576 PolarHBondContact O-N 3.42Å; L572-K576 VanDerWaalsContact O-N 3.07Å; H573-K576 PolarHBondContact O-N 2.81Å; Q574-K576 VanDerWaalsContact C-N 3.33Å; Q574-K576 PolarHBondContact O-N 3Å; K576-Q579 PolarHBondContact O-N 3.13Å; K576-Q580 PolarHBondContact O-N 2.86Å
577Q78.5Confident69Low110 Ų110132.6 Ų132.651%0.51467%0.674SS.*Hα-helixtrans-67.3-36.3172.6-74.1179.4-0.300112.5H573 Q574 Q580H573-Q577 WeakPolarHBondContact O-CG 3.32Å; H573-Q577 PolarHBondContact O-N 2.82Å; H573-Q577 VanDerWaalsContact O-N 3.1Å; Q574-Q577 PolarHBondContact O-N 3.15Å; Q577-Q580 PolarHBondContact O-N 3.09Å
578N72.7Confident69.9Low92 Ų92132.4 Ų132.449%0.49267%0.665SS.*Hα-helixtrans-67.9-35.3176.3-75.7-15.4000112.5Q574 L575 Q580 R581Q574-N578 PolarHBondContact O-N 3.06Å; L575-N578 PolarHBondContact O-N 2.83Å; N578-Q580 PolarHBondContact O-N 3.1Å; N578-R581 PolarHBondContact O-N 3.39Å
579Q67.3Low70.7Confident140 Ų140128.5 Ų128.565%0.65465%0.65SS**Hα-helixtrans-62.1-30.3172.5-74.7-178.3-2100112.9L575 K576 R581L575-Q579 PolarHBondContact O-N 2.91Å; L575-Q579 VanDerWaalsContact O-N 3.08Å; K576-Q579 PolarHBondContact O-N 3.13Å; Q579-R581 PolarHBondContact O-N 3.16Å
580Q68.2Low71.3Confident150 Ų150131.6 Ų131.670%0.70165%0.645SS**THydrogen-bonded Turntrans-82.19.1174.5-65.2-174.8-4600114.2K576 Q577 N578K576-Q580 PolarHBondContact O-N 2.86Å; Q577-Q580 PolarHBondContact O-N 3.09Å; N578-Q580 PolarHBondContact O-N 3.1Å
581R66.7Low71.1Confident213 Ų213135.8 Ų135.880%0.80466%0.657SS**THydrogen-bonded Turntrans-118.25.4172.1-88.4-175.3166-174-4113.5N578 Q579N578-R581 PolarHBondContact O-N 3.39Å; Q579-R581 PolarHBondContact O-N 3.16Å
582V63.7Low70.4Confident130 Ų130141.8 Ų141.879%0.78867%0.674SS**  trans-119.18.5179.1-175.20000110.8
583Q47.1Very low70.2Confident234 Ų234140.7 Ų140.7100%1.09366%0.662SS**  trans-115.80159.5-63.9-176.91.600107.6

Retrieved 583 of 583 residues in 139.1 ms (Link to these results)

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