A0A087XU80_POEFO Loading...

Potassium voltage-gated channel, KQT-like subfamily, member 2a

AlphaFold DB , UniProt , Accession A0A087XU80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 761 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
1F84.3Confident86.7Confident122 Ų12259.9 Ų59.954%0.53530%0.297SS..  0-81.80-177.9-116.3000110.1L3 V4 F5 M112F1-L3 PolarHBondContact O-N 3.01Å; F1-L3 VanDerWaalsContact O-N 3.08Å; F1-V4 PolarHBondContact O-N 2.81Å; F1-F5 HydrophobicContact CZ-CB 4.41Å; F1-F5 HydrophobicContact CZ-CD2 4.44Å; F1-F5 HydrophobicContact CZ-CG 4.31Å; F1-F5 PolarHBondContact O-N 3.28Å; F1-M112 HydrophobicContact CB-SD 3.99Å; F1-M112 HydrophobicContact CD2-CG 3.96Å; F1-M112 HydrophobicContact CD2-SD 3.73Å; F1-M112 HydrophobicContact CG-SD 4.28Å
2F89Confident86.7Confident153 Ų15361.8 Ų61.867%0.67131%0.313SS*.Hα-helixtrans-40.6-51.2-172.7-60.2-67.6000116V4 F5 S6F2-V4 PolarHBondContact O-N 3.23Å; F2-V4 VanDerWaalsContact O-N 3.1Å; F2-F5 CarbonylContact O-C 3.59Å; F2-F5 WeakPolarHBondContact O-CA 3.23Å; F2-F5 WeakPolarHBondContact O-CB 3.4Å; F2-F5 PolarHBondContact O-N 2.72Å; F2-S6 PolarHBondContact O-N 3.26Å; F2-S6 PolarHBondContact O-OG 2.76Å
3L87.4Confident86.8Confident62 Ų6264.1 Ų64.133%0.32532%0.32SS..Hα-helixtrans-52.3-34.3177.8178.5152.7000114.8F1 C7 V33 T34 F38F1-L3 PolarHBondContact O-N 3.01Å; F1-L3 VanDerWaalsContact O-N 3.08Å; L3-C7 WeakPolarHBondContact O-CB 3.41Å; L3-C7 PolarHBondContact O-N 2.97Å; L3-V33 HydrophobicContact CD1-CG1 4.27Å; L3-T34 HydrophobicContact CD2-CG2 3.51Å; L3-T34 HydrophobicContact CG-CG2 4.48Å; L3-F38 HydrophobicContact CD2-CE2 3.68Å; L3-F38 HydrophobicContact CD2-CZ 3.78Å
4V86.2Confident86.6Confident17 Ų1759.7 Ų59.710%0.10330%0.299CS..Hα-helixtrans-78.8-38174.5-175.30000111.1F1 F2 C7 L8 F38 R108F1-V4 PolarHBondContact O-N 2.81Å; F2-V4 PolarHBondContact O-N 3.23Å; F2-V4 VanDerWaalsContact O-N 3.1Å; V4-C7 WeakPolarHBondContact O-CB 3.39Å; V4-C7 PolarHBondContact O-N 2.97Å; V4-L8 PolarHBondContact O-N 3.25Å; V4-F38 HydrophobicContact CG2-CE1 4.46Å; V4-F38 HydrophobicContact CG2-CE2 3.83Å; V4-F38 HydrophobicContact CG2-CZ 3.45Å; V4-F38 VanDerWaalsContact CG2-CZ 3.45Å; V4-R108 HydrophobicContact CG1-CB 3.8Å
5F87.7Confident86.5Confident89 Ų8962.2 Ų62.239%0.3932%0.319SS..Hα-helixtrans-67.7-41.8179.8-175.2-118.9000111.8F1 F2 L8 I9F1-F5 HydrophobicContact CZ-CB 4.41Å; F1-F5 HydrophobicContact CZ-CD2 4.44Å; F1-F5 HydrophobicContact CZ-CG 4.31Å; F1-F5 PolarHBondContact O-N 3.28Å; F2-F5 CarbonylContact O-C 3.59Å; F2-F5 WeakPolarHBondContact O-CA 3.23Å; F2-F5 WeakPolarHBondContact O-CB 3.4Å; F2-F5 PolarHBondContact O-N 2.72Å; F5-L8 PolarHBondContact O-N 3.01Å; F5-I9 HydrophobicContact CD1-CD1 3.74Å; F5-I9 HydrophobicContact CE1-CD1 3.52Å; F5-I9 HydrophobicContact CE2-CD1 4.3Å; F5-I9 HydrophobicContact CG-CD1 4.24Å; F5-I9 HydrophobicContact CZ-CD1 3.82Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.31Å
6S88.4Confident86.6Confident54 Ų5462 Ų6238%0.37832%0.318SS..Hα-helixtrans-63.8-38.4172.5-560000112.4F2 I9 L10F2-S6 PolarHBondContact O-N 3.26Å; F2-S6 PolarHBondContact O-OG 2.76Å; S6-I9 PolarHBondContact O-N 3.37Å; S6-L10 WeakPolarHBondContact O-CB 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.24Å
7C85.3Confident86.6Confident2 Ų271.4 Ų71.41%0.01435%0.349CS..Hα-helixtrans-62.4-42.9172.9172.30000111.6L3 V4 L10 S11 T34L3-C7 WeakPolarHBondContact O-CB 3.41Å; L3-C7 PolarHBondContact O-N 2.97Å; V4-C7 WeakPolarHBondContact O-CB 3.39Å; V4-C7 PolarHBondContact O-N 2.97Å; C7-L10 PolarHBondContact O-N 2.9Å; C7-S11 PolarHBondContact O-N 2.78Å; C7-T34 HydrophobicContact CB-CG2 4.43Å
8L85.9Confident86.7Confident44 Ų4475.7 Ų75.723%0.2337%0.368CS..Hα-helixtrans-63.4-46174.1-172.7156.6000111.7V4 F5 L10 S11 V12 M109V4-L8 PolarHBondContact O-N 3.25Å; F5-L8 PolarHBondContact O-N 3.01Å; L8-L10 PolarHBondContact O-N 3.44Å; L8-S11 VanDerWaalsContact O-CB 3.24Å; L8-S11 WeakPolarHBondContact O-CB 3.34Å; L8-S11 PolarHBondContact O-N 3.48Å; L8-S11 VanDerWaalsContact O-N 3.14Å; L8-V12 HydrophobicContact CD2-CG2 4.49Å; L8-V12 PolarHBondContact O-N 2.94Å; L8-V12 VanDerWaalsContact O-N 3.14Å; L8-M109 HydrophobicContact CD1-SD 4.03Å
9I88.6Confident86.8Confident62 Ų6279.1 Ų79.132%0.31838%0.377SS..Hα-helixtrans-59.3-45.2177.1-74166.1000111.4F5 S6 S11 V12 F13F5-I9 HydrophobicContact CD1-CD1 3.74Å; F5-I9 HydrophobicContact CE1-CD1 3.52Å; F5-I9 HydrophobicContact CE2-CD1 4.3Å; F5-I9 HydrophobicContact CG-CD1 4.24Å; F5-I9 HydrophobicContact CZ-CD1 3.82Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.31Å; S6-I9 PolarHBondContact O-N 3.37Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.04Å; I9-V12 WeakPolarHBondContact O-CB 3.4Å; I9-V12 PolarHBondContact O-N 3.24Å; I9-V12 VanDerWaalsContact O-N 3.11Å; I9-F13 HydrophobicContact CG2-CD2 3.69Å; I9-F13 HydrophobicContact CG2-CE2 3.52Å; I9-F13 WeakPolarHBondContact O-CD2 3.38Å; I9-F13 PolarHBondContact O-N 3.13Å
10L87.2Confident86.7Confident44 Ų4478.8 Ų78.823%0.2337%0.374CS..Hα-helixtrans-68.9-25177.7-74.9162.2000113S6 C7 L8 V12 F13 A14 L30S6-L10 WeakPolarHBondContact O-CB 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.24Å; C7-L10 PolarHBondContact O-N 2.9Å; L8-L10 PolarHBondContact O-N 3.44Å; L10-V12 VanDerWaalsContact C-N 3.35Å; L10-F13 PolarHBondContact O-N 3.03Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.93Å; L10-L30 HydrophobicContact CD1-CD1 3.39Å
11S83.8Confident86.5Confident10 Ų1080 Ų807%0.0738%0.383CS..Hα-helixtrans-66.9-34.9169.2-158.30000113C7 L8 I9 R102 Q105C7-S11 PolarHBondContact O-N 2.78Å; L8-S11 VanDerWaalsContact O-CB 3.24Å; L8-S11 WeakPolarHBondContact O-CB 3.34Å; L8-S11 PolarHBondContact O-N 3.48Å; L8-S11 VanDerWaalsContact O-N 3.14Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.04Å; S11-R102 WeakPolarHBondContact OG-CB 3.41Å; S11-R102 WeakPolarHBondContact OG-CG 3.39Å; S11-Q105 PolarHBondContact OG-OE1 2.89Å
12V87.3Confident86.6Confident82 Ų8280.2 Ų80.250%0.49739%0.39SS..Hα-helixtrans-70.8-46170.9179.90000110.5L8 I9 L10 A14 T15L8-V12 HydrophobicContact CD2-CG2 4.49Å; L8-V12 PolarHBondContact O-N 2.94Å; L8-V12 VanDerWaalsContact O-N 3.14Å; I9-V12 WeakPolarHBondContact O-CB 3.4Å; I9-V12 PolarHBondContact O-N 3.24Å; I9-V12 VanDerWaalsContact O-N 3.11Å; L10-V12 VanDerWaalsContact C-N 3.35Å; V12-A14 PolarHBondContact O-N 2.84Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.39Å
13F87.2Confident86.5Confident92 Ų9273.3 Ų73.340%0.40436%0.36SS..Hα-helixtrans-60.4-31.1174.2-77.8-68.9000113I9 L10 T15 I16I9-F13 HydrophobicContact CG2-CD2 3.69Å; I9-F13 HydrophobicContact CG2-CE2 3.52Å; I9-F13 WeakPolarHBondContact O-CD2 3.38Å; I9-F13 PolarHBondContact O-N 3.13Å; L10-F13 PolarHBondContact O-N 3.03Å; F13-T15 PolarHBondContact O-N 3.2Å; F13-I16 HydrophobicContact CD1-CD1 3.92Å; F13-I16 HydrophobicContact CE1-CD1 4.38Å; F13-I16 WeakPolarHBondContact O-CB 3.31Å; F13-I16 PolarHBondContact O-N 3.5Å
14A83.6Confident86.3Confident3 Ų372.9 Ų72.93%0.02536%0.357CS..THydrogen-bonded Turntrans-71.1-7.3173.400000114.7L10 V12 E24 L27 R102L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.93Å; V12-A14 PolarHBondContact O-N 2.84Å; A14-E24 HydrophobicContact CB-CG 4.02Å; A14-L27 HydrophobicContact CB-CD1 4.3Å; A14-R102 PolarHBondContact O-NH1 2.87Å; A14-R102 PolarHBondContact O-NH2 2.94Å
15T85.1Confident86.2Confident97 Ų9777.2 Ų77.260%0.59538%0.379SS*.THydrogen-bonded Turntrans-84.8-23.1168.468.10000112.2V12 F13 R102V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.39Å; F13-T15 PolarHBondContact O-N 3.2Å; T15-R102 VanDerWaalsContact CG2-NH1 3.31Å; T15-R102 VanDerWaalsContact N-NH1 3.19Å
16I88.9Confident86.2Confident59 Ų5974.5 Ų74.530%0.30337%0.373SS..SBendtrans-78.9125.3-178.1-55.9174.9000108.4F13 E18 Y19 K20F13-I16 HydrophobicContact CD1-CD1 3.92Å; F13-I16 HydrophobicContact CE1-CD1 4.38Å; F13-I16 WeakPolarHBondContact O-CB 3.31Å; F13-I16 PolarHBondContact O-N 3.5Å; I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 HydrophobicContact CG2-CB 4.34Å; I16-E18 WeakPolarHBondContact CG2-OE2 3.47Å; I16-E18 PolarHBondContact O-N 3.3Å; I16-Y19 HydrophobicContact CB-CD2 4.38Å; I16-Y19 HydrophobicContact CG2-CD2 3.81Å; I16-Y19 HydrophobicContact CG2-CE2 4.47Å; I16-Y19 PolarHBondContact O-N 3.11Å; I16-K20 PolarHBondContact O-N 2.88Å
17R86.4Confident86.1Confident222 Ų22273.1 Ų73.184%0.83836%0.361SS*.G310 helixtrans-61.9-39.4-171.9-87.7179.8152.9178.7-7.3112.1Y19R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.38Å
18E89Confident86Confident149 Ų14978.4 Ų78.470%0.69638%0.382SS*.G310 helixtrans-65.2-28.7-176.2-6373-164.700112.7I16I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 HydrophobicContact CG2-CB 4.34Å; I16-E18 WeakPolarHBondContact CG2-OE2 3.47Å; I16-E18 PolarHBondContact O-N 3.3Å
19Y87.9Confident86.1Confident139 Ų13981.4 Ų81.455%0.54540%0.397SS..G310 helixtrans-113.9-0.8-176.4-61.9-70.1000113.8I16 R17 D21 S23I16-Y19 HydrophobicContact CB-CD2 4.38Å; I16-Y19 HydrophobicContact CG2-CD2 3.81Å; I16-Y19 HydrophobicContact CG2-CE2 4.47Å; I16-Y19 PolarHBondContact O-N 3.11Å; R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.38Å; Y19-D21 PolarHBondContact O-N 3.44Å; Y19-S23 VanDerWaalsContact O-CB 3.23Å; Y19-S23 WeakPolarHBondContact O-CB 3.29Å; Y19-S23 PolarHBondContact O-N 3.34Å; Y19-S23 PolarHBondContact O-OG 2.84Å
20K84.1Confident86.1Confident74 Ų7480.8 Ų80.832%0.32239%0.394SS..Hα-helixtrans-50.1-59.8-169.6179.4-169.6161.5-630112.9I16 N22 S23 E24I16-K20 PolarHBondContact O-N 2.88Å; K20-N22 PolarHBondContact O-N 2.75Å; K20-S23 CarbonylContact O-C 3.43Å; K20-S23 PolarHBondContact O-N 3.48Å; K20-S23 VanDerWaalsContact O-N 3.12Å; K20-E24 VanDerWaalsContact CE-OE2 3.31Å; K20-E24 WeakPolarHBondContact CE-OE2 3.21Å; K20-E24 HydrophobicContact CG-CG 4.31Å; K20-E24 IonicContact NZ-OE1 3.45Å; K20-E24 IonicContact NZ-OE2 3.77Å; K20-E24 PolarHBondContact NZ-OE2 2.91Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.13Å
21D82.9Confident86Confident105 Ų10579.3 Ų79.356%0.56139%0.386SS*.Hα-helixtrans-73-31.9-165-55.2-36.9000112.6Y19 N25Y19-D21 PolarHBondContact O-N 3.44Å; D21-N25 PolarHBondContact O-N 3.47Å; D21-N25 PolarHBondContact O-ND2 3.23Å
22N87.4Confident86.2Confident126 Ų12681.6 Ų81.667%0.67440%0.397SS*.Hα-helixtrans-70-41.1169.7-171.738.4000111.4K20 N25 A26K20-N22 PolarHBondContact O-N 2.75Å; N22-N25 PolarHBondContact O-N 3.06Å; N22-A26 PolarHBondContact O-N 3.33Å
23S86.3Confident86.4Confident7 Ų780.8 Ų80.85%0.04939%0.392CS..Hα-helixtrans-67.5-38.4179.7-57.50000112.5Y19 K20 A26 L27Y19-S23 VanDerWaalsContact O-CB 3.23Å; Y19-S23 WeakPolarHBondContact O-CB 3.29Å; Y19-S23 PolarHBondContact O-N 3.34Å; Y19-S23 PolarHBondContact O-OG 2.84Å; K20-S23 CarbonylContact O-C 3.43Å; K20-S23 PolarHBondContact O-N 3.48Å; K20-S23 VanDerWaalsContact O-N 3.12Å; S23-A26 PolarHBondContact O-N 2.85Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.16Å
24E82.6Confident86.5Confident53 Ų5376.5 Ų76.525%0.24837%0.373CS..Hα-helixtrans-67.8-37.6178.4-74.1-178.3159.800111.9A14 K20 Y28 R102A14-E24 HydrophobicContact CB-CG 4.02Å; K20-E24 VanDerWaalsContact CE-OE2 3.31Å; K20-E24 WeakPolarHBondContact CE-OE2 3.21Å; K20-E24 HydrophobicContact CG-CG 4.31Å; K20-E24 IonicContact NZ-OE1 3.45Å; K20-E24 IonicContact NZ-OE2 3.77Å; K20-E24 PolarHBondContact NZ-OE2 2.91Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.13Å; E24-Y28 WeakPolarHBondContact O-CB 3.33Å; E24-Y28 PolarHBondContact O-N 2.91Å; E24-R102 IonicContact OE1-NH2 2.72Å; E24-R102 PolarHBondContact OE1-NH2 2.81Å
25N84.7Confident86.8Confident109 Ų10977.3 Ų77.358%0.58338%0.377SS*.Hα-helixtrans-64.2-48.3171.3-77-51.4000112.3D21 N22 L27 Y28 I29D21-N25 PolarHBondContact O-N 3.47Å; D21-N25 PolarHBondContact O-ND2 3.23Å; N22-N25 PolarHBondContact O-N 3.06Å; N25-L27 VanDerWaalsContact C-N 3.34Å; N25-L27 PolarHBondContact O-N 2.81Å; N25-Y28 PolarHBondContact O-N 2.94Å; N25-I29 WeakPolarHBondContact O-CG1 3.45Å; N25-I29 PolarHBondContact O-N 3.09Å
26A88Confident87.2Confident32 Ų3276.8 Ų76.826%0.26437%0.374SS..Hα-helixtrans-64-38.6177.600000112.4N22 S23 I29 L30N22-A26 PolarHBondContact O-N 3.33Å; S23-A26 PolarHBondContact O-N 2.85Å; A26-I29 PolarHBondContact O-N 2.95Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.34Å
27L85.1Confident87.4Confident24 Ų2477 Ų7713%0.12638%0.378CS..Hα-helixtrans-63.6-46.3175.4-174.9164000110.5A14 S23 N25 I29 L30 E31A14-L27 HydrophobicContact CB-CD1 4.3Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.16Å; N25-L27 VanDerWaalsContact C-N 3.34Å; N25-L27 PolarHBondContact O-N 2.81Å; L27-I29 PolarHBondContact O-N 3.09Å; L27-L30 CarbonylContact O-C 3.59Å; L27-L30 PolarHBondContact O-N 2.78Å; L27-E31 VanDerWaalsContact O-CB 3.27Å; L27-E31 WeakPolarHBondContact O-CB 3.33Å; L27-E31 PolarHBondContact O-N 3.08Å
28Y84.2Confident87.6Confident114 Ų11468.2 Ų68.245%0.44735%0.346SS..Hα-helixtrans-58.4-44177.5-179.2-100.7000112.6E24 N25 E31 I32 L84E24-Y28 WeakPolarHBondContact O-CB 3.33Å; E24-Y28 PolarHBondContact O-N 2.91Å; N25-Y28 PolarHBondContact O-N 2.94Å; Y28-E31 WeakPolarHBondContact O-CB 3.37Å; Y28-E31 PolarHBondContact O-N 3.23Å; Y28-I32 HydrophobicContact CD1-CD1 4.03Å; Y28-I32 HydrophobicContact CE1-CD1 3.55Å; Y28-I32 HydrophobicContact CE2-CD1 4.49Å; Y28-I32 WeakPolarHBondContact O-CG1 3.22Å; Y28-I32 PolarHBondContact O-N 3.31Å; Y28-L84 HydrophobicContact CD2-CD1 4.29Å; Y28-L84 HydrophobicContact CE2-CD1 3.53Å
29I88.4Confident87.8Confident107 Ų10761.8 Ų61.855%0.54932%0.319SS..Hα-helixtrans-62.4-47.5176.2-65166.4000110.6N25 A26 L27 E31 I32 V33N25-I29 WeakPolarHBondContact O-CG1 3.45Å; N25-I29 PolarHBondContact O-N 3.09Å; A26-I29 PolarHBondContact O-N 2.95Å; L27-I29 PolarHBondContact O-N 3.09Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 2.84Å; I29-I32 PolarHBondContact O-N 3.43Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 2.93Å; I29-V33 VanDerWaalsContact O-N 3.13Å
30L87.2Confident88.1Confident49 Ų4959.2 Ų59.226%0.25732%0.318SS..Hα-helixtrans-66.7-34.3177.3-73.2179.9000112.8L10 A26 L27 I32 V33 T34L10-L30 HydrophobicContact CD1-CD1 3.39Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.34Å; L27-L30 CarbonylContact O-C 3.59Å; L27-L30 PolarHBondContact O-N 2.78Å; L30-I32 PolarHBondContact O-N 3.28Å; L30-V33 PolarHBondContact O-N 2.97Å; L30-T34 WeakPolarHBondContact O-CB 3.38Å; L30-T34 WeakPolarHBondContact O-CG2 3.48Å; L30-T34 PolarHBondContact O-N 2.88Å
31E86.2Confident88.6Confident12 Ų1258.2 Ų58.26%0.05631%0.314CS..Hα-helixtrans-56.8-50.9176.5-166.480.717700109.7L27 Y28 I29 T34 I35 Q105 R108L27-E31 VanDerWaalsContact O-CB 3.27Å; L27-E31 WeakPolarHBondContact O-CB 3.33Å; L27-E31 PolarHBondContact O-N 3.08Å; Y28-E31 WeakPolarHBondContact O-CB 3.37Å; Y28-E31 PolarHBondContact O-N 3.23Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 2.84Å; E31-T34 PolarHBondContact O-N 3.2Å; E31-T34 PolarHBondContact O-OG1 2.8Å; E31-I35 HydrophobicContact CG-CD1 4.22Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.24Å; E31-I35 PolarHBondContact O-N 3.38Å; E31-Q105 PolarHBondContact OE2-NE2 3.49Å; E31-R108 VanDerWaalsContact CD-NH1 3.27Å; E31-R108 VanDerWaalsContact CD-NH2 3.29Å; E31-R108 IonicContact OE1-CZ 3.03Å; E31-R108 IonicContact OE1-NH1 2.91Å; E31-R108 PolarHBondContact OE1-NH1 3.29Å; E31-R108 IonicContact OE1-NH2 2.67Å; E31-R108 PolarHBondContact OE1-NH2 3.13Å; E31-R108 IonicContact OE2-CZ 3.37Å; E31-R108 IonicContact OE2-NH1 3.18Å; E31-R108 PolarHBondContact OE2-NH1 2.98Å; E31-R108 IonicContact OE2-NH2 3.46Å
32I88.2Confident89Confident59 Ų5954.7 Ų54.730%0.30329%0.293SS..Hα-helixtrans-58.3-50.5175-64.9168.9000111Y28 I29 L30 T34 I35 V36 L84Y28-I32 HydrophobicContact CD1-CD1 4.03Å; Y28-I32 HydrophobicContact CE1-CD1 3.55Å; Y28-I32 HydrophobicContact CE2-CD1 4.49Å; Y28-I32 WeakPolarHBondContact O-CG1 3.22Å; Y28-I32 PolarHBondContact O-N 3.31Å; I29-I32 PolarHBondContact O-N 3.43Å; L30-I32 PolarHBondContact O-N 3.28Å; I32-T34 VanDerWaalsContact C-N 3.27Å; I32-T34 PolarHBondContact O-N 3.04Å; I32-I35 PolarHBondContact O-N 3.24Å; I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.8Å; I32-L84 HydrophobicContact CD1-CD1 4.25Å; I32-L84 HydrophobicContact CG1-CD1 3.75Å; I32-L84 HydrophobicContact CG1-CD2 3.92Å
33V91.7Very high89.4Confident65 Ų6554.1 Ų54.139%0.39429%0.289SS..Hα-helixtrans-59.9-39179173.40000111.1L3 I29 L30 V37L3-V33 HydrophobicContact CD1-CG1 4.27Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 2.93Å; I29-V33 VanDerWaalsContact O-N 3.13Å; L30-V33 PolarHBondContact O-N 2.97Å; V33-V37 HydrophobicContact CG1-CG2 4.32Å; V33-V37 WeakPolarHBondContact O-CB 3.33Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 2.99Å
34T87.8Confident89.8Confident1 Ų157.6 Ų57.61%0.00631%0.31CS..Hα-helixtrans-63.2-48.2175.474.90000111L3 C7 L30 E31 I32 V36 V37 F38L3-T34 HydrophobicContact CD2-CG2 3.51Å; L3-T34 HydrophobicContact CG-CG2 4.48Å; C7-T34 HydrophobicContact CB-CG2 4.43Å; L30-T34 WeakPolarHBondContact O-CB 3.38Å; L30-T34 WeakPolarHBondContact O-CG2 3.48Å; L30-T34 PolarHBondContact O-N 2.88Å; E31-T34 PolarHBondContact O-N 3.2Å; E31-T34 PolarHBondContact O-OG1 2.8Å; I32-T34 VanDerWaalsContact C-N 3.27Å; I32-T34 PolarHBondContact O-N 3.04Å; T34-V36 VanDerWaalsContact C-N 3.34Å; T34-V36 PolarHBondContact O-N 2.84Å; T34-V37 PolarHBondContact O-N 3.44Å; T34-F38 HydrophobicContact CG2-CE2 4.32Å; T34-F38 WeakPolarHBondContact O-CB 3.22Å; T34-F38 WeakPolarHBondContact O-CD2 3.39Å; T34-F38 WeakPolarHBondContact O-CG 3.18Å; T34-F38 PolarHBondContact O-N 3.13Å
35I90.4Very high90.2Very high20 Ų2057.1 Ų57.110%0.10331%0.306CS..Hα-helixtrans-59.8-45.1-178.1-70.4163.6000110.6E31 I32 G39 L77 S80 V81 L84E31-I35 HydrophobicContact CG-CD1 4.22Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.24Å; E31-I35 PolarHBondContact O-N 3.38Å; I32-I35 PolarHBondContact O-N 3.24Å; I35-G39 PolarHBondContact O-N 2.97Å; I35-L77 HydrophobicContact CG2-CD1 4.34Å; I35-S80 WeakPolarHBondContact CD1-O 3.48Å; I35-V81 HydrophobicContact CG2-CG2 3.65Å; I35-L84 HydrophobicContact CD1-CB 4.27Å; I35-L84 HydrophobicContact CD1-CD2 4.15Å
36V93.5Very high90.6Very high87 Ų8753.6 Ų53.653%0.52729%0.286SS..Hα-helixtrans-63.6-51.2177175.30000111.2I32 T34 F38 G39 V40I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.8Å; T34-V36 VanDerWaalsContact C-N 3.34Å; T34-V36 PolarHBondContact O-N 2.84Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.02Å; V36-G39 PolarHBondContact O-N 3.29Å; V36-V40 WeakPolarHBondContact O-CB 3.47Å; V36-V40 WeakPolarHBondContact O-CG2 3.42Å; V36-V40 PolarHBondContact O-N 2.84Å
37V93.2Very high90.8Very high64 Ų6460.5 Ų60.539%0.38831%0.306SS..Hα-helixtrans-60.6-41.8-178.7168.20000111.9V33 T34 E41V33-V37 HydrophobicContact CG1-CG2 4.32Å; V33-V37 WeakPolarHBondContact O-CB 3.33Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 2.99Å; T34-V37 PolarHBondContact O-N 3.44Å; V37-E41 WeakPolarHBondContact O-CB 3.31Å; V37-E41 PolarHBondContact O-N 2.67Å
38F90.4Very high91.2Very high37 Ų3761.5 Ų61.516%0.16232%0.318CS..Hα-helixtrans-80.7-30.3-178.9-63.1-55.6000113.5L3 V4 T34 V36 Y42 R111L3-F38 HydrophobicContact CD2-CE2 3.68Å; L3-F38 HydrophobicContact CD2-CZ 3.78Å; V4-F38 HydrophobicContact CG2-CE1 4.46Å; V4-F38 HydrophobicContact CG2-CE2 3.83Å; V4-F38 HydrophobicContact CG2-CZ 3.45Å; V4-F38 VanDerWaalsContact CG2-CZ 3.45Å; T34-F38 HydrophobicContact CG2-CE2 4.32Å; T34-F38 WeakPolarHBondContact O-CB 3.22Å; T34-F38 WeakPolarHBondContact O-CD2 3.39Å; T34-F38 WeakPolarHBondContact O-CG 3.18Å; T34-F38 PolarHBondContact O-N 3.13Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.02Å; F38-Y42 WeakPolarHBondContact O-CB 3.36Å; F38-Y42 PolarHBondContact O-N 3.26Å; F38-R111 VanDerWaalsContact CZ-NH2 3.33Å
39G92.9Very high91.5Very high13 Ų1356.6 Ų56.613%0.13430%0.3CS..Hα-helixtrans-62-47.9168.500000111.8I35 V36 Y42 I43I35-G39 PolarHBondContact O-N 2.97Å; V36-G39 PolarHBondContact O-N 3.29Å; G39-Y42 PolarHBondContact O-N 3.29Å; G39-I43 WeakPolarHBondContact O-CD1 3.25Å; G39-I43 VanDerWaalsContact O-CG1 3.26Å; G39-I43 WeakPolarHBondContact O-CG1 3.48Å; G39-I43 PolarHBondContact O-N 3.48Å
40V95.4Very high91.5Very high86 Ų8652.7 Ų52.752%0.52129%0.287SS..Hα-helixtrans-62.9-48.5176.3172.60000111.3V36 Y42 I43 V44V36-V40 WeakPolarHBondContact O-CB 3.47Å; V36-V40 WeakPolarHBondContact O-CG2 3.42Å; V36-V40 PolarHBondContact O-N 2.84Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.49Å; V40-I43 PolarHBondContact O-N 2.77Å; V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.3Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 2.88Å
41E93.9Very high91.5Very high53 Ų5355.7 Ų55.725%0.24831%0.31CS..Hα-helixtrans-65.1-36.2-179.9-170.8-85.1165.200112.3V37 R45 R114V37-E41 WeakPolarHBondContact O-CB 3.31Å; V37-E41 PolarHBondContact O-N 2.67Å; E41-R45 VanDerWaalsContact CD-NH2 3.32Å; E41-R45 WeakPolarHBondContact O-CB 3.41Å; E41-R45 PolarHBondContact O-N 3.15Å; E41-R45 IonicContact OE1-CZ 2.67Å; E41-R45 IonicContact OE1-NE 2.76Å; E41-R45 PolarHBondContact OE1-NE 2.86Å; E41-R45 IonicContact OE1-NH2 3.13Å; E41-R45 PolarHBondContact OE1-NH2 2.66Å; E41-R45 IonicContact OE2-CZ 3.16Å; E41-R45 VanDerWaalsContact OE2-CZ 3.29Å; E41-R45 IonicContact OE2-NE 2.73Å; E41-R45 PolarHBondContact OE2-NE 3.47Å; E41-R45 IonicContact OE2-NH2 2.71Å; E41-R45 PolarHBondContact OE2-NH2 2.79Å; E41-R114 IonicContact OE1-CZ 3.85Å; E41-R114 IonicContact OE1-NH1 3.98Å; E41-R114 PolarHBondContact OE1-NH1 3.22Å
42Y92.5Very high91.3Very high30 Ų3058 Ų5812%0.11833%0.328CS..Hα-helixtrans-62.8-46.3173.7179.9-96.6000112.4F38 G39 V40 R45 I46 D73 I74F38-Y42 WeakPolarHBondContact O-CB 3.36Å; F38-Y42 PolarHBondContact O-N 3.26Å; G39-Y42 PolarHBondContact O-N 3.29Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.49Å; Y42-R45 PolarHBondContact O-N 3.31Å; Y42-I46 HydrophobicContact CD1-CD1 4.14Å; Y42-I46 HydrophobicContact CE1-CD1 3.45Å; Y42-I46 VanDerWaalsContact CE1-CD1 3.45Å; Y42-I46 HydrophobicContact CE2-CD1 4.06Å; Y42-I46 PolarHBondContact O-N 3.26Å; Y42-I46 WeakPolarHBondContact OH-CD1 3.43Å; Y42-D73 HydrophobicContact CD2-CB 4.32Å; Y42-I74 HydrophobicContact CD1-CD1 4.35Å; Y42-I74 HydrophobicContact CE1-CB 4.3Å; Y42-I74 HydrophobicContact CE1-CD1 3.82Å; Y42-I74 HydrophobicContact CE1-CG1 4.23Å; Y42-I74 HydrophobicContact CE2-CB 3.85Å; Y42-I74 WeakPolarHBondContact OH-CB 3.42Å
43I94Very high90.8Very high114 Ų11461 Ų6159%0.58535%0.352SS*.Hα-helixtrans-62.2-49.4177-69.1165000110.6G39 V40 R45 I46 W47G39-I43 WeakPolarHBondContact O-CD1 3.25Å; G39-I43 VanDerWaalsContact O-CG1 3.26Å; G39-I43 WeakPolarHBondContact O-CG1 3.48Å; G39-I43 PolarHBondContact O-N 3.48Å; V40-I43 PolarHBondContact O-N 2.77Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.86Å; I43-I46 PolarHBondContact O-N 2.87Å; I43-W47 WeakPolarHBondContact O-CB 3.2Å; I43-W47 PolarHBondContact O-N 3.33Å
44V94.8Very high90.3Very high80 Ų8067.7 Ų67.749%0.48537%0.37SS..Hα-helixtrans-60.6-40.5177.6170.80000110.8V40 W47 A48V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.3Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 2.88Å; V44-W47 PolarHBondContact O-N 2.9Å; V44-A48 WeakPolarHBondContact O-CB 3.22Å; V44-A48 PolarHBondContact O-N 2.84Å
45R92Very high90.3Very high43 Ų4369.4 Ų69.416%0.16238%0.377CS..Hα-helixtrans-64.1-42.6178.1-167.8-160.6-59.9165.7-6.3112.1E41 Y42 I43 A49 F64 D73E41-R45 VanDerWaalsContact CD-NH2 3.32Å; E41-R45 WeakPolarHBondContact O-CB 3.41Å; E41-R45 PolarHBondContact O-N 3.15Å; E41-R45 IonicContact OE1-CZ 2.67Å; E41-R45 IonicContact OE1-NE 2.76Å; E41-R45 PolarHBondContact OE1-NE 2.86Å; E41-R45 IonicContact OE1-NH2 3.13Å; E41-R45 PolarHBondContact OE1-NH2 2.66Å; E41-R45 IonicContact OE2-CZ 3.16Å; E41-R45 VanDerWaalsContact OE2-CZ 3.29Å; E41-R45 IonicContact OE2-NE 2.73Å; E41-R45 PolarHBondContact OE2-NE 3.47Å; E41-R45 IonicContact OE2-NH2 2.71Å; E41-R45 PolarHBondContact OE2-NH2 2.79Å; Y42-R45 PolarHBondContact O-N 3.31Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.86Å; R45-A49 WeakPolarHBondContact O-CB 3.24Å; R45-A49 PolarHBondContact O-N 3.39Å; R45-F64 HydrophobicContact CG-CE1 4.39Å; R45-F64 HydrophobicContact CG-CZ 4.44Å; R45-D73 IonicContact CZ-OD2 3.84Å; R45-D73 IonicContact NH1-OD2 3.55Å; R45-D73 PolarHBondContact NH1-OD2 3.43Å; R45-D73 IonicContact NH2-OD2 2.75Å; R45-D73 PolarHBondContact NH2-OD2 2.89Å
46I92.4Very high89.9Confident35 Ų3578.2 Ų78.218%0.17941%0.409CS..Hα-helixtrans-68.4-38.5175.1-73.3-179.1000111.7Y42 I43 R61 F64 A65Y42-I46 HydrophobicContact CD1-CD1 4.14Å; Y42-I46 HydrophobicContact CE1-CD1 3.45Å; Y42-I46 VanDerWaalsContact CE1-CD1 3.45Å; Y42-I46 HydrophobicContact CE2-CD1 4.06Å; Y42-I46 PolarHBondContact O-N 3.26Å; Y42-I46 WeakPolarHBondContact OH-CD1 3.43Å; I43-I46 PolarHBondContact O-N 2.87Å; I46-R61 HydrophobicContact CG2-CB 4.33Å; I46-R61 HydrophobicContact CG2-CG 4.48Å; I46-R61 PolarHBondContact O-NE 3.23Å; I46-F64 HydrophobicContact CG1-CD1 4.44Å; I46-A65 HydrophobicContact CD1-CB 4.29Å
47W93.2Very high89.7Confident178 Ų17876.3 Ų76.367%0.67441%0.407SS*.Hα-helixtrans-64.7-52176.5-177.891.2000111I43 V44 A49 G50 R61I43-W47 WeakPolarHBondContact O-CB 3.2Å; I43-W47 PolarHBondContact O-N 3.33Å; V44-W47 PolarHBondContact O-N 2.9Å; W47-A49 VanDerWaalsContact C-N 3.32Å; W47-A49 PolarHBondContact O-N 3.3Å; W47-G50 PolarHBondContact O-N 2.78Å; W47-G50 VanDerWaalsContact O-N 3.16Å; W47-R61 PolarHBondContact O-NH2 2.91Å
48A92.7Very high89.4Confident45 Ų4583.4 Ų83.437%0.37243%0.427SS..Hα-helixtrans-64.4-30.6-179.200000113.3V44 G50 C51V44-A48 WeakPolarHBondContact O-CB 3.22Å; V44-A48 PolarHBondContact O-N 2.84Å; A48-G50 PolarHBondContact O-N 3.12Å; A48-C51 WeakPolarHBondContact O-CB 3.45Å; A48-C51 PolarHBondContact O-N 2.96Å; A48-C51 PolarHBondContact O-SG 2.87Å
49A90.1Very high89.3Confident10 Ų1092.5 Ų92.58%0.08346%0.46CS..G310 helixtrans-55.4-20.5174.100000113.7R45 W47 C51 C52 F64R45-A49 WeakPolarHBondContact O-CB 3.24Å; R45-A49 PolarHBondContact O-N 3.39Å; W47-A49 VanDerWaalsContact C-N 3.32Å; W47-A49 PolarHBondContact O-N 3.3Å; A49-C51 PolarHBondContact O-N 3.22Å; A49-C52 PolarHBondContact O-N 3.5Å; A49-F64 HydrophobicContact CB-CD1 3.95Å; A49-F64 HydrophobicContact CB-CD2 3.8Å; A49-F64 HydrophobicContact CB-CE1 4.03Å; A49-F64 HydrophobicContact CB-CE2 3.86Å; A49-F64 HydrophobicContact CB-CG 3.85Å; A49-F64 HydrophobicContact CB-CZ 3.98Å
50G88.7Confident89.1Confident26 Ų2692.3 Ų92.327%0.26846%0.458SS..G310 helixtrans-65.6-9.7172.300000115.5W47 A48 C52W47-G50 PolarHBondContact O-N 2.78Å; W47-G50 VanDerWaalsContact O-N 3.16Å; A48-G50 PolarHBondContact O-N 3.12Å; G50-C52 PolarHBondContact O-N 2.89Å
51C87.6Confident88.9Confident111 Ų11192 Ų9275%0.7545%0.448SS*.G310 helixtrans-67.1-26.3172.470.70000112.7A48 A49A48-C51 WeakPolarHBondContact O-CB 3.45Å; A48-C51 PolarHBondContact O-N 2.96Å; A48-C51 PolarHBondContact O-SG 2.87Å; A49-C51 PolarHBondContact O-N 3.22Å
52C81.3Confident88.7Confident62 Ų6293.4 Ų93.442%0.41946%0.457SS..SBendtrans-83.8125.7176.7-66.90000110.6A49 G50 R54 Y55A49-C52 PolarHBondContact O-N 3.5Å; G50-C52 PolarHBondContact O-N 2.89Å; C52-R54 PolarHBondContact O-N 3.11Å; C52-Y55 HydrophobicContact CB-CD2 3.91Å; C52-Y55 PolarHBondContact O-N 3.24Å
53C77.8Confident88.6Confident121 Ų12199.1 Ų99.182%0.81848%0.482SS*.G310 helixtrans-51.5-33.3178.1-57.70000113.5Y55C53-Y55 PolarHBondContact O-N 3.44Å
54R81.8Confident88.4Confident205 Ų20595.2 Ų95.277%0.77446%0.461SS*.G310 helixtrans-65.4-16177.2-171.2168.4-178.9156.3-0.9114.7C52C52-R54 PolarHBondContact O-N 3.11Å
55Y87Confident88.2Confident38 Ų3892.3 Ų92.315%0.14945%0.446CS..G310 helixtrans-124.918-176.8-56.1-57.2000113.5C52 C53 G60 R61 F64 K67C52-Y55 HydrophobicContact CB-CD2 3.91Å; C52-Y55 PolarHBondContact O-N 3.24Å; C53-Y55 PolarHBondContact O-N 3.44Å; Y55-G60 WeakPolarHBondContact CD1-O 3.11Å; Y55-G60 CarbonylContact O-C 3.6Å; Y55-R61 PolarHBondContact O-N 2.92Å; Y55-F64 HydrophobicContact CD1-CB 3.97Å; Y55-F64 AromaticContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CE1-CB 4.28Å; Y55-F64 HydrophobicContact CE1-CD2 4.46Å; Y55-F64 AromaticContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CG-CB 4.2Å; Y55-F64 HydrophobicContact CG-CD2 4.31Å; Y55-K67 WeakPolarHBondContact OH-CE 3.4Å; Y55-K67 PolarHBondContact OH-NZ 3Å
56R83.4Confident88.2Confident205 Ų20599.5 Ų99.577%0.77447%0.473SS*.  trans-65.5141.9176.8-167.1169.8177.6161.8-1.5111.5
57G88.3Confident88Confident47 Ų47101.5 Ų101.549%0.48548%0.48SS..Hα-helixtrans74.1173.418000000114.9R59 G60 R61G57-R59 PolarHBondContact O-N 3.34Å; G57-G60 PolarHBondContact O-N 3.35Å; G57-G60 VanDerWaalsContact O-N 3.14Å; G57-R61 PolarHBondContact O-N 2.99Å
58W87.4Confident87.7Confident212 Ų21297.3 Ų97.380%0.80348%0.476SS*.Hα-helixtrans-59.7-46.6-174.9-175.3-103.3000113.2G60 R61 L62W58-G60 VanDerWaalsContact C-N 3.26Å; W58-G60 PolarHBondContact O-N 2.79Å; W58-R61 PolarHBondContact O-N 3.12Å; W58-L62 PolarHBondContact O-N 2.79Å
59R87.4Confident87.3Confident228 Ų22898.4 Ų98.486%0.8647%0.472SS*.Hα-helixtrans-60.5-35.5176-65.6-173.6179-156.5-0.2112.1G57 K63G57-R59 PolarHBondContact O-N 3.34Å; R59-K63 WeakPolarHBondContact O-CB 3.28Å; R59-K63 PolarHBondContact O-N 3.47Å
60G89.3Confident87.3Confident10 Ų1098.2 Ų98.210%0.10347%0.47CS..Hα-helixtrans-66.7-47.1174.900000112.8Y55 G57 W58 K63 F64Y55-G60 WeakPolarHBondContact CD1-O 3.11Å; Y55-G60 CarbonylContact O-C 3.6Å; G57-G60 PolarHBondContact O-N 3.35Å; G57-G60 VanDerWaalsContact O-N 3.14Å; W58-G60 VanDerWaalsContact C-N 3.26Å; W58-G60 PolarHBondContact O-N 2.79Å; G60-K63 PolarHBondContact O-N 3Å; G60-F64 PolarHBondContact O-N 2.77Å
61R90.8Very high87.3Confident78 Ų78100.4 Ų100.429%0.29448%0.478SS..Hα-helixtrans-62.2-41.1175-74.7-178.1168.5164.7-0.7112.5I46 W47 Y55 G57 W58 K63 F64 A65I46-R61 HydrophobicContact CG2-CB 4.33Å; I46-R61 HydrophobicContact CG2-CG 4.48Å; I46-R61 PolarHBondContact O-NE 3.23Å; W47-R61 PolarHBondContact O-NH2 2.91Å; Y55-R61 PolarHBondContact O-N 2.92Å; G57-R61 PolarHBondContact O-N 2.99Å; W58-R61 PolarHBondContact O-N 3.12Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-K63 PolarHBondContact O-N 3.12Å; R61-F64 WeakPolarHBondContact O-CB 3.35Å; R61-F64 PolarHBondContact O-N 3.16Å; R61-F64 VanDerWaalsContact O-N 3.09Å; R61-A65 PolarHBondContact O-N 2.78Å
62L89.4Confident87.3Confident84 Ų8497.2 Ų97.244%0.4445%0.453SS..Hα-helixtrans-64.1-37.4174.5-174.461.3000112.3W58 F64 A65 R66W58-L62 PolarHBondContact O-N 2.79Å; L62-F64 PolarHBondContact O-N 3.35Å; L62-A65 PolarHBondContact O-N 3.17Å; L62-R66 PolarHBondContact O-N 3.25Å; L62-R66 VanDerWaalsContact O-N 3.09Å
63K90.4Very high87.7Confident149 Ų14994.6 Ų94.665%0.64844%0.435SS*.Hα-helixtrans-68.3-21.3173.2-166.8166.2-173.1168.30113.1R59 G60 R61R59-K63 WeakPolarHBondContact O-CB 3.28Å; R59-K63 PolarHBondContact O-N 3.47Å; G60-K63 PolarHBondContact O-N 3Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-K63 PolarHBondContact O-N 3.12Å
64F90.7Very high88.3Confident33 Ų3391 Ų9115%0.14541%0.407CS..Hα-helixtrans-79.2-42.8168.4-177.3-88.1000111.9R45 I46 A49 Y55 G60 R61 L62 R66 K67R45-F64 HydrophobicContact CG-CE1 4.39Å; R45-F64 HydrophobicContact CG-CZ 4.44Å; I46-F64 HydrophobicContact CG1-CD1 4.44Å; A49-F64 HydrophobicContact CB-CD1 3.95Å; A49-F64 HydrophobicContact CB-CD2 3.8Å; A49-F64 HydrophobicContact CB-CE1 4.03Å; A49-F64 HydrophobicContact CB-CE2 3.86Å; A49-F64 HydrophobicContact CB-CG 3.85Å; A49-F64 HydrophobicContact CB-CZ 3.98Å; Y55-F64 HydrophobicContact CD1-CB 3.97Å; Y55-F64 AromaticContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CE1-CB 4.28Å; Y55-F64 HydrophobicContact CE1-CD2 4.46Å; Y55-F64 AromaticContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CG-CB 4.2Å; Y55-F64 HydrophobicContact CG-CD2 4.31Å; G60-F64 PolarHBondContact O-N 2.77Å; R61-F64 WeakPolarHBondContact O-CB 3.35Å; R61-F64 PolarHBondContact O-N 3.16Å; R61-F64 VanDerWaalsContact O-N 3.09Å; L62-F64 PolarHBondContact O-N 3.35Å; F64-R66 VanDerWaalsContact C-N 3.29Å; F64-R66 PolarHBondContact O-N 3.09Å; F64-K67 HydrophobicContact CD2-CD 4.39Å; F64-K67 WeakPolarHBondContact O-CB 3.39Å; F64-K67 WeakPolarHBondContact O-CG 3.27Å; F64-K67 PolarHBondContact O-N 2.8Å
65A90.2Very high88.6Confident19 Ų1986.2 Ų86.216%0.15740%0.395CS..Hα-helixtrans-62.5-31.617900000113.5I46 R61 L62 K67 C70I46-A65 HydrophobicContact CD1-CB 4.29Å; R61-A65 PolarHBondContact O-N 2.78Å; L62-A65 PolarHBondContact O-N 3.17Å; A65-K67 PolarHBondContact O-N 3.35Å; A65-C70 WeakPolarHBondContact O-CB 3.3Å
66R91.8Very high88.5Confident194 Ų19484.7 Ų84.773%0.73239%0.39SS*.THydrogen-bonded Turntrans-71.72.3176.1-75-175.8173.5-177.4-2.7115.7L62 F64L62-R66 PolarHBondContact O-N 3.25Å; L62-R66 VanDerWaalsContact O-N 3.09Å; F64-R66 VanDerWaalsContact C-N 3.29Å; F64-R66 PolarHBondContact O-N 3.09Å
67K89.6Confident88.8Confident77 Ų7776.2 Ų76.234%0.33536%0.36SS..SBendtrans-70141.2173.2-71178.1178.5179.60110.6Y55 F64 A65 F69 C70 V71Y55-K67 WeakPolarHBondContact OH-CE 3.4Å; Y55-K67 PolarHBondContact OH-NZ 3Å; F64-K67 HydrophobicContact CD2-CD 4.39Å; F64-K67 WeakPolarHBondContact O-CB 3.39Å; F64-K67 WeakPolarHBondContact O-CG 3.27Å; F64-K67 PolarHBondContact O-N 2.8Å; A65-K67 PolarHBondContact O-N 3.35Å; K67-F69 PolarHBondContact O-N 2.89Å; K67-C70 HydrophobicContact CB-CB 4.21Å; K67-C70 WeakPolarHBondContact O-CA 3.32Å; K67-C70 VanDerWaalsContact O-CB 3.32Å; K67-C70 WeakPolarHBondContact O-CB 3.27Å; K67-C70 PolarHBondContact O-N 3.42Å; K67-V71 PolarHBondContact O-N 3.38Å
68P86.8Confident88.8Confident90 Ų9078.6 Ų78.658%0.58436%0.36SS*.Hα-helixtrans-55.9-46.5-17319.5-32.2000113.4C70 V71 I72P68-C70 PolarHBondContact O-N 2.86Å; P68-V71 PolarHBondContact O-N 3.47Å; P68-I72 VanDerWaalsContact O-CG1 3.31Å; P68-I72 WeakPolarHBondContact O-CG1 3.34Å; P68-I72 PolarHBondContact O-N 3.45Å
69F84.6Confident88.7Confident67 Ų6769.8 Ų69.829%0.29433%0.332SS..Hα-helixtrans-61.5-28.5175.3-64.6-75.8000114.2K67 D73 D113K67-F69 PolarHBondContact O-N 2.89Å; F69-D73 PolarHBondContact O-N 3.29Å; F69-D113 WeakPolarHBondContact CE1-O 3.39Å
70C88.5Confident88.5Confident6 Ų659.1 Ų59.14%0.04129%0.293CS..Hα-helixtrans-79.6-38.7177.5-151.30000110.9A65 K67 P68 D73 I74A65-C70 WeakPolarHBondContact O-CB 3.3Å; K67-C70 HydrophobicContact CB-CB 4.21Å; K67-C70 WeakPolarHBondContact O-CA 3.32Å; K67-C70 VanDerWaalsContact O-CB 3.32Å; K67-C70 WeakPolarHBondContact O-CB 3.27Å; K67-C70 PolarHBondContact O-N 3.42Å; P68-C70 PolarHBondContact O-N 2.86Å; C70-D73 PolarHBondContact O-N 2.89Å; C70-I74 WeakPolarHBondContact O-CG2 3.34Å; C70-I74 PolarHBondContact O-N 2.87Å; C70-I74 VanDerWaalsContact O-N 3.11Å
71V89.8Confident88.4Confident72 Ų7262 Ų6244%0.43631%0.308SS..Hα-helixtrans-61.7-42.3171.1176.30000111.3K67 P68 I74 M75K67-V71 PolarHBondContact O-N 3.38Å; P68-V71 PolarHBondContact O-N 3.47Å; V71-I74 VanDerWaalsContact O-CG2 3.27Å; V71-I74 WeakPolarHBondContact O-CG2 3.39Å; V71-M75 VanDerWaalsContact O-CB 3.24Å; V71-M75 WeakPolarHBondContact O-CB 3.38Å; V71-M75 PolarHBondContact O-N 2.8Å
72I88.1Confident88Confident45 Ų4561.9 Ų61.923%0.23132%0.319CS..Hα-helixtrans-62.5-45.4175.4-69.3163.6000110.9P68 I74 M75 V76 L110P68-I72 VanDerWaalsContact O-CG1 3.31Å; P68-I72 WeakPolarHBondContact O-CG1 3.34Å; P68-I72 PolarHBondContact O-N 3.45Å; I72-I74 PolarHBondContact O-N 3.17Å; I72-M75 PolarHBondContact O-N 3.4Å; I72-V76 HydrophobicContact CG2-CG2 4.38Å; I72-V76 WeakPolarHBondContact O-CB 3.13Å; I72-V76 VanDerWaalsContact O-CG2 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 2.99Å; I72-L110 HydrophobicContact CD1-CD2 4.45Å; I72-L110 HydrophobicContact CG2-CD2 4.44Å
73D88.7Confident87.5Confident6 Ų659.3 Ų59.33%0.03231%0.307CS..Hα-helixtrans-63.9-41.8-178.5-140.4-4.7000111.9Y42 R45 F69 C70 L77 R111Y42-D73 HydrophobicContact CD2-CB 4.32Å; R45-D73 IonicContact CZ-OD2 3.84Å; R45-D73 IonicContact NH1-OD2 3.55Å; R45-D73 PolarHBondContact NH1-OD2 3.43Å; R45-D73 IonicContact NH2-OD2 2.75Å; R45-D73 PolarHBondContact NH2-OD2 2.89Å; F69-D73 PolarHBondContact O-N 3.29Å; C70-D73 PolarHBondContact O-N 2.89Å; D73-L77 VanDerWaalsContact O-CB 3.31Å; D73-L77 WeakPolarHBondContact O-CB 3.4Å; D73-L77 PolarHBondContact O-N 2.68Å; D73-R111 WeakPolarHBondContact OD1-CD 3.35Å; D73-R111 IonicContact OD1-CZ 3.32Å; D73-R111 IonicContact OD1-NE 2.68Å; D73-R111 IonicContact OD1-NH1 2.69Å; D73-R111 PolarHBondContact OD1-NH1 3.46Å
74I90Very high87Confident46 Ų4654.4 Ų54.424%0.23629%0.287CS..Hα-helixtrans-72.9-35.2176-169.555.3000112.8Y42 C70 V71 I72 L77 I78Y42-I74 HydrophobicContact CD1-CD1 4.35Å; Y42-I74 HydrophobicContact CE1-CB 4.3Å; Y42-I74 HydrophobicContact CE1-CD1 3.82Å; Y42-I74 HydrophobicContact CE1-CG1 4.23Å; Y42-I74 HydrophobicContact CE2-CB 3.85Å; Y42-I74 WeakPolarHBondContact OH-CB 3.42Å; C70-I74 WeakPolarHBondContact O-CG2 3.34Å; C70-I74 PolarHBondContact O-N 2.87Å; C70-I74 VanDerWaalsContact O-N 3.11Å; V71-I74 VanDerWaalsContact O-CG2 3.27Å; V71-I74 WeakPolarHBondContact O-CG2 3.39Å; I72-I74 PolarHBondContact O-N 3.17Å; I74-L77 HydrophobicContact CD1-CB 4.4Å; I74-L77 HydrophobicContact CD1-CD2 4.02Å; I74-L77 PolarHBondContact O-N 2.91Å; I74-I78 HydrophobicContact CD1-CD1 4.19Å; I74-I78 HydrophobicContact CD1-CG1 4.11Å; I74-I78 HydrophobicContact CG1-CD1 3.86Å; I74-I78 HydrophobicContact CG1-CG1 4.27Å; I74-I78 WeakPolarHBondContact O-CB 3.5Å; I74-I78 VanDerWaalsContact O-CG1 3.27Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.39Å
75M87.6Confident86.5Confident105 Ų10555.7 Ų55.752%0.51731%0.305SS..Hα-helixtrans-61.8-45.9173.4-174.8-170.679.600110.8V71 I72 A79 L107V71-M75 VanDerWaalsContact O-CB 3.24Å; V71-M75 WeakPolarHBondContact O-CB 3.38Å; V71-M75 PolarHBondContact O-N 2.8Å; I72-M75 PolarHBondContact O-N 3.4Å; M75-A79 VanDerWaalsContact O-CB 3.28Å; M75-A79 WeakPolarHBondContact O-CB 3.37Å; M75-A79 PolarHBondContact O-N 2.98Å; M75-L107 HydrophobicContact CE-CD1 4.35Å
76V86.5Confident85.8Confident6 Ų657.4 Ų57.44%0.03632%0.318CS..Hα-helixtrans-66.2-38176.4170.70000111.4I72 S80 L107 R108I72-V76 HydrophobicContact CG2-CG2 4.38Å; I72-V76 WeakPolarHBondContact O-CB 3.13Å; I72-V76 VanDerWaalsContact O-CG2 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 2.99Å; V76-S80 WeakPolarHBondContact O-CB 3.45Å; V76-S80 PolarHBondContact O-N 3.17Å; V76-S80 PolarHBondContact O-OG 3.34Å; V76-L107 HydrophobicContact CG2-CB 3.74Å; V76-L107 HydrophobicContact CG2-CD1 4.45Å; V76-R108 HydrophobicContact CG1-CB 4.49Å; V76-R108 HydrophobicContact CG1-CG 3.51Å
77L88.6Confident84.6Confident27 Ų2749.8 Ų49.814%0.14130%0.3CS..Hα-helixtrans-65.5-49.2175.3-175.167.8000111.8I35 D73 I74 A79 S80 V81I35-L77 HydrophobicContact CG2-CD1 4.34Å; D73-L77 VanDerWaalsContact O-CB 3.31Å; D73-L77 WeakPolarHBondContact O-CB 3.4Å; D73-L77 PolarHBondContact O-N 2.68Å; I74-L77 HydrophobicContact CD1-CB 4.4Å; I74-L77 HydrophobicContact CD1-CD2 4.02Å; I74-L77 PolarHBondContact O-N 2.91Å; L77-A79 PolarHBondContact O-N 3.26Å; L77-S80 WeakPolarHBondContact O-CB 3.12Å; L77-S80 PolarHBondContact O-N 2.97Å; L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.95Å
78I89.1Confident83.6Confident97 Ų9750.4 Ų50.450%0.49731%0.314SS..Hα-helixtrans-58.6-49.1177.2-71.4167.5000110.2I74 S80 V81 S82I74-I78 HydrophobicContact CD1-CD1 4.19Å; I74-I78 HydrophobicContact CD1-CG1 4.11Å; I74-I78 HydrophobicContact CG1-CD1 3.86Å; I74-I78 HydrophobicContact CG1-CG1 4.27Å; I74-I78 WeakPolarHBondContact O-CB 3.5Å; I74-I78 VanDerWaalsContact O-CG1 3.27Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.39Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.49Å; I78-V81 PolarHBondContact O-N 3.49Å; I78-V81 VanDerWaalsContact O-N 3.1Å; I78-S82 PolarHBondContact O-N 3.44Å; I78-S82 PolarHBondContact O-OG 3.41Å
79A84.6Confident82.5Confident26 Ų2653.6 Ų53.622%0.21532%0.322CS..Hα-helixtrans-55.7-44.9176.500000111.5M75 L77 V81 V83 L104M75-A79 VanDerWaalsContact O-CB 3.28Å; M75-A79 WeakPolarHBondContact O-CB 3.37Å; M75-A79 PolarHBondContact O-N 2.98Å; L77-A79 PolarHBondContact O-N 3.26Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 3.19Å; A79-V83 VanDerWaalsContact O-CB 3.3Å; A79-V83 WeakPolarHBondContact O-CB 3.18Å; A79-V83 WeakPolarHBondContact O-CG2 3.44Å; A79-V83 PolarHBondContact O-N 3.2Å; A79-L104 HydrophobicContact CB-CD1 3.97Å
80S83.8Confident81.3Confident5 Ų553.6 Ų53.64%0.03534%0.34CS..Hα-helixtrans-64.7-33.4177.9-53.90000113.4I35 V76 L77 I78 V83 L84 R108I35-S80 WeakPolarHBondContact CD1-O 3.48Å; V76-S80 WeakPolarHBondContact O-CB 3.45Å; V76-S80 PolarHBondContact O-N 3.17Å; V76-S80 PolarHBondContact O-OG 3.34Å; L77-S80 WeakPolarHBondContact O-CB 3.12Å; L77-S80 PolarHBondContact O-N 2.97Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact O-CB 3.35Å; S80-L84 PolarHBondContact O-N 2.99Å; S80-R108 VanDerWaalsContact CB-NH2 3.32Å; S80-R108 PolarHBondContact OG-NE 2.8Å; S80-R108 PolarHBondContact OG-NH2 2.89Å
81V87Confident79.7Confident71 Ų7158.2 Ų58.243%0.4336%0.364SS..Hα-helixtrans-76.8-47.3179.3170.30000112I35 L77 I78 A79 V83 L84 A85I35-V81 HydrophobicContact CG2-CG2 3.65Å; L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.95Å; I78-V81 PolarHBondContact O-N 3.49Å; I78-V81 VanDerWaalsContact O-N 3.1Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 3.19Å; V81-V83 PolarHBondContact O-N 3.19Å; V81-V83 VanDerWaalsContact O-N 3.09Å; V81-L84 PolarHBondContact O-N 3.13Å; V81-A85 PolarHBondContact O-N 2.9Å; V81-A85 VanDerWaalsContact O-N 3.09Å
82S83Confident78.1Confident74 Ų7460.4 Ų60.452%0.51738%0.378SS..Hα-helixtrans-54.8-31.2176.2-60.40000112.2I78 A86I78-S82 PolarHBondContact O-N 3.44Å; I78-S82 PolarHBondContact O-OG 3.41Å; S82-A86 WeakPolarHBondContact O-CB 3.29Å; S82-A86 PolarHBondContact O-N 3.08Å
83V78.8Confident76.4Confident31 Ų3166.3 Ų66.319%0.18840%0.402CS..Hα-helixtrans-73.1-48.7-179.9153.60000113A79 S80 V81 A85 A86 G87 L101A79-V83 VanDerWaalsContact O-CB 3.3Å; A79-V83 WeakPolarHBondContact O-CB 3.18Å; A79-V83 WeakPolarHBondContact O-CG2 3.44Å; A79-V83 PolarHBondContact O-N 3.2Å; S80-V83 WeakPolarHBondContact O-CB 3.35Å; V81-V83 PolarHBondContact O-N 3.19Å; V81-V83 VanDerWaalsContact O-N 3.09Å; V83-A85 PolarHBondContact O-N 2.95Å; V83-A86 PolarHBondContact O-N 3.31Å; V83-G87 PolarHBondContact O-N 3.44Å; V83-L101 HydrophobicContact CB-CD1 4.06Å; V83-L101 HydrophobicContact CB-CD2 3.96Å; V83-L101 HydrophobicContact CG1-CD1 3.29Å; V83-L101 HydrophobicContact CG1-CD2 3.76Å; V83-L101 HydrophobicContact CG1-CG 4.09Å; V83-L101 HydrophobicContact CG2-CD1 3.78Å; V83-L101 HydrophobicContact CG2-CD2 3.11Å; V83-L101 HydrophobicContact CG2-CG 4.01Å
84L79.2Confident74.6Confident45 Ų4566.8 Ų66.824%0.23641%0.407CS..Hα-helixtrans-61.8-38.2176.8-173.867.6000110.2Y28 I32 I35 S80 V81 S88Y28-L84 HydrophobicContact CD2-CD1 4.29Å; Y28-L84 HydrophobicContact CE2-CD1 3.53Å; I32-L84 HydrophobicContact CD1-CD1 4.25Å; I32-L84 HydrophobicContact CG1-CD1 3.75Å; I32-L84 HydrophobicContact CG1-CD2 3.92Å; I35-L84 HydrophobicContact CD1-CB 4.27Å; I35-L84 HydrophobicContact CD1-CD2 4.15Å; S80-L84 PolarHBondContact O-N 2.99Å; V81-L84 PolarHBondContact O-N 3.13Å; L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 3.4Å
85A79.8Confident73Confident61 Ų6169.4 Ų69.450%0.50443%0.425SS..Hα-helixtrans-64.1-44.4173.200000112.9V81 V83V81-A85 PolarHBondContact O-N 2.9Å; V81-A85 VanDerWaalsContact O-N 3.09Å; V83-A85 PolarHBondContact O-N 2.95Å
86A75.2Confident71.7Confident54 Ų5467.5 Ų67.545%0.44642%0.422SS..Hα-helixtrans-68.2-39.7178.900000113.2S82 V83 S88 Q89S82-A86 WeakPolarHBondContact O-CB 3.29Å; S82-A86 PolarHBondContact O-N 3.08Å; V83-A86 PolarHBondContact O-N 3.31Å; A86-S88 VanDerWaalsContact C-N 3.35Å; A86-Q89 PolarHBondContact O-N 3.01Å
87G67.9Low70.2Confident34 Ų3469.3 Ų69.335%0.35144%0.438SS..Hα-helixtrans-65.4-36.4176.900000113.1V83 Q89 G90V83-G87 PolarHBondContact O-N 3.44Å; G87-Q89 PolarHBondContact O-N 3.49Å; G87-G90 PolarHBondContact O-N 3.46Å
88S67.9Low68.9Low90 Ų9071.7 Ų71.763%0.62945%0.45SS*.Hα-helixtrans-62.1-23.4178.9-169.80000114L84 A86 G90L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 3.4Å; A86-S88 VanDerWaalsContact C-N 3.35Å; S88-G90 VanDerWaalsContact C-N 3.28Å; S88-G90 PolarHBondContact O-N 3.13Å
89Q64.2Low67.7Low158 Ų15875.2 Ų75.274%0.73846%0.457SS*.THydrogen-bonded Turntrans-77.8-5.2179.8-72.6-78.9-46.100114.1A86 G87 N91A86-Q89 PolarHBondContact O-N 3.01Å; G87-Q89 PolarHBondContact O-N 3.49Å; Q89-N91 PolarHBondContact O-N 2.97Å
90G58.2Low66.6Low67 Ų6777.8 Ų77.869%0.69147%0.474SS*.  trans63.61.5176.600000116.3G87 S88G87-G90 PolarHBondContact O-N 3.46Å; S88-G90 VanDerWaalsContact C-N 3.28Å; S88-G90 PolarHBondContact O-N 3.13Å
91N55.4Low65.6Low102 Ų10278.7 Ų78.755%0.54548%0.478SS..  trans-68.4144.6-173.4-165.7-7.9000111.3Q89 F93 A94Q89-N91 PolarHBondContact O-N 2.97Å; N91-F93 PolarHBondContact O-N 3.17Å; N91-A94 WeakPolarHBondContact O-CB 3.46Å; N91-A94 PolarHBondContact O-N 3.01Å
92V57.1Low64.6Low118 Ų11877.8 Ų77.872%0.71547%0.467SS*.THydrogen-bonded Turntrans-58.3-30.7-164.1-162.20000113.3A94 T95V92-A94 PolarHBondContact O-N 3.17Å; V92-A94 VanDerWaalsContact O-N 3.16Å; V92-T95 PolarHBondContact O-N 3.3Å; V92-T95 PolarHBondContact O-OG1 2.89Å
93F51.4Low63.9Low169 Ų16980.9 Ų80.974%0.74147%0.471SS*.THydrogen-bonded Turntrans-57.8-22.7173-77-87.5000114.5N91 T95 S96 A97N91-F93 PolarHBondContact O-N 3.17Å; F93-T95 VanDerWaalsContact C-N 3.26Å; F93-T95 PolarHBondContact O-N 3.42Å; F93-S96 PolarHBondContact O-N 3.33Å; F93-S96 VanDerWaalsContact O-N 3.08Å; F93-A97 PolarHBondContact O-N 3.4Å
94A52.2Low63.4Low17 Ų1781.7 Ų81.714%0.1447%0.474CS..Hα-helixtrans-57.4-37.6179.900000112.4N91 V92 S96 A97 I98N91-A94 WeakPolarHBondContact O-CB 3.46Å; N91-A94 PolarHBondContact O-N 3.01Å; V92-A94 PolarHBondContact O-N 3.17Å; V92-A94 VanDerWaalsContact O-N 3.16Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 2.97Å; A94-A97 PolarHBondContact O-N 3.4Å; A94-I98 HydrophobicContact CB-CD1 4.45Å; A94-I98 WeakPolarHBondContact O-CB 3.34Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.49Å; A94-I98 PolarHBondContact O-N 2.93Å
95T56.6Low62.9Low101 Ų10179.9 Ų79.962%0.6247%0.465SS*.Hα-helixtrans-64.2-29.6178.260.50000113.3V92 F93V92-T95 PolarHBondContact O-N 3.3Å; V92-T95 PolarHBondContact O-OG1 2.89Å; F93-T95 VanDerWaalsContact C-N 3.26Å; F93-T95 PolarHBondContact O-N 3.42Å
96S58.3Low62.8Low65 Ų6581.5 Ų81.546%0.45546%0.464SS..Hα-helixtrans-78.6-45.8173.2-166.50000110.8F93 A94 I98 R99 S100F93-S96 PolarHBondContact O-N 3.33Å; F93-S96 VanDerWaalsContact O-N 3.08Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 2.97Å; S96-I98 PolarHBondContact O-N 3.31Å; S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.4Å; S96-S100 PolarHBondContact O-N 3.16Å
97A56.4Low62.6Low43 Ų4381.1 Ų81.136%0.35545%0.454SS..Hα-helixtrans-57.1-48.4176.700000112.1F93 A94 R99 S100 L101F93-A97 PolarHBondContact O-N 3.4Å; A94-A97 PolarHBondContact O-N 3.4Å; A97-R99 PolarHBondContact O-N 2.98Å; A97-R99 VanDerWaalsContact O-N 3.12Å; A97-S100 PolarHBondContact O-N 2.81Å; A97-L101 HydrophobicContact CB-CD1 4.36Å; A97-L101 WeakPolarHBondContact O-CB 3.29Å; A97-L101 VanDerWaalsContact O-CD1 3.3Å; A97-L101 WeakPolarHBondContact O-CD1 3.34Å; A97-L101 WeakPolarHBondContact O-CG 3.32Å; A97-L101 PolarHBondContact O-N 3.38Å
98I61.3Low62.9Low77 Ų7779.9 Ų79.940%0.39544%0.438SS..Hα-helixtrans-55-31.5179.4-72.5163.6000112.3A94 S96A94-I98 HydrophobicContact CB-CD1 4.45Å; A94-I98 WeakPolarHBondContact O-CB 3.34Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.49Å; A94-I98 PolarHBondContact O-N 2.93Å; S96-I98 PolarHBondContact O-N 3.31Å
99R62.7Low63.3Low171 Ų17180 Ų8065%0.64543%0.43SS*.Hα-helixtrans-70.9-51173.9-172.3-179.3-67.599.5-0.7111.7S96 A97 L101 R102S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.4Å; A97-R99 PolarHBondContact O-N 2.98Å; A97-R99 VanDerWaalsContact O-N 3.12Å; R99-L101 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact O-N 3.15Å; R99-R102 PolarHBondContact O-N 3.25Å
100S63Low63.7Low81 Ų8176.4 Ų76.457%0.56642%0.416SS*.Hα-helixtrans-60.9-22177.2-57.80000113.1S96 A97 F103S96-S100 PolarHBondContact O-N 3.16Å; A97-S100 PolarHBondContact O-N 2.81Å; S100-F103 VanDerWaalsContact O-CB 3.29Å; S100-F103 WeakPolarHBondContact O-CB 3.35Å; S100-F103 PolarHBondContact O-N 2.85Å
101L61.3Low64.4Low24 Ų2474.5 Ų74.513%0.12639%0.388CS..Hα-helixtrans-77.7-21-175.3-76.5163.6000116V83 A97 R99 F103 L104 Q105V83-L101 HydrophobicContact CB-CD1 4.06Å; V83-L101 HydrophobicContact CB-CD2 3.96Å; V83-L101 HydrophobicContact CG1-CD1 3.29Å; V83-L101 HydrophobicContact CG1-CD2 3.76Å; V83-L101 HydrophobicContact CG1-CG 4.09Å; V83-L101 HydrophobicContact CG2-CD1 3.78Å; V83-L101 HydrophobicContact CG2-CD2 3.11Å; V83-L101 HydrophobicContact CG2-CG 4.01Å; A97-L101 HydrophobicContact CB-CD1 4.36Å; A97-L101 WeakPolarHBondContact O-CB 3.29Å; A97-L101 VanDerWaalsContact O-CD1 3.3Å; A97-L101 WeakPolarHBondContact O-CD1 3.34Å; A97-L101 WeakPolarHBondContact O-CG 3.32Å; A97-L101 PolarHBondContact O-N 3.38Å; R99-L101 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact O-N 3.15Å; L101-F103 PolarHBondContact O-N 2.8Å; L101-L104 HydrophobicContact CD2-CB 4.4Å; L101-L104 HydrophobicContact CD2-CD1 3.45Å; L101-L104 VanDerWaalsContact CD2-CD1 3.45Å; L101-L104 HydrophobicContact CD2-CG 4.24Å; L101-L104 PolarHBondContact O-N 3.23Å; L101-Q105 PolarHBondContact O-N 3.4Å
102R66.7Low65.1Low51 Ų5174.6 Ų74.619%0.19239%0.386CS..Hα-helixtrans-60.4-25.9171.4-53.3-172.5-173.5-171.2-0.7111S11 A14 T15 E24 R99S11-R102 WeakPolarHBondContact OG-CB 3.41Å; S11-R102 WeakPolarHBondContact OG-CG 3.39Å; A14-R102 PolarHBondContact O-NH1 2.87Å; A14-R102 PolarHBondContact O-NH2 2.94Å; T15-R102 VanDerWaalsContact CG2-NH1 3.31Å; T15-R102 VanDerWaalsContact N-NH1 3.19Å; E24-R102 IonicContact OE1-NH2 2.72Å; E24-R102 PolarHBondContact OE1-NH2 2.81Å; R99-R102 PolarHBondContact O-N 3.25Å
103F67.6Low65.8Low139 Ų13970.3 Ų70.361%0.6136%0.359SS*.Hα-helixtrans-71.3-39.4171.5-167.8-102.8000113.5S100 L101 Q105 I106S100-F103 VanDerWaalsContact O-CB 3.29Å; S100-F103 WeakPolarHBondContact O-CB 3.35Å; S100-F103 PolarHBondContact O-N 2.85Å; L101-F103 PolarHBondContact O-N 2.8Å; F103-Q105 PolarHBondContact O-N 3.14Å; F103-I106 HydrophobicContact CD2-CD1 4.23Å; F103-I106 WeakPolarHBondContact O-CB 3.4Å; F103-I106 PolarHBondContact O-N 2.88Å
104L68.3Low66.6Low49 Ų4969.3 Ų69.326%0.25735%0.351SS..Hα-helixtrans-68.4-21.8177.8-66179.4000112.6A79 L101 I106 L107 R108A79-L104 HydrophobicContact CB-CD1 3.97Å; L101-L104 HydrophobicContact CD2-CB 4.4Å; L101-L104 HydrophobicContact CD2-CD1 3.45Å; L101-L104 VanDerWaalsContact CD2-CD1 3.45Å; L101-L104 HydrophobicContact CD2-CG 4.24Å; L101-L104 PolarHBondContact O-N 3.23Å; L104-I106 VanDerWaalsContact C-N 3.32Å; L104-L107 HydrophobicContact CD2-CD1 3.66Å; L104-L107 PolarHBondContact O-N 3Å; L104-R108 PolarHBondContact O-N 3.43Å
105Q69.8Low67.5Low7 Ų779.3 Ų79.33%0.03339%0.385CS..Hα-helixtrans-68.6-29.1170.3-67170.1-27.700112.3S11 E31 L101 F103 R108S11-Q105 PolarHBondContact OG-OE1 2.89Å; E31-Q105 PolarHBondContact OE2-NE2 3.49Å; L101-Q105 PolarHBondContact O-N 3.4Å; F103-Q105 PolarHBondContact O-N 3.14Å; Q105-R108 WeakPolarHBondContact O-CB 3.49Å; Q105-R108 PolarHBondContact O-N 3.39Å
106I76.9Confident68.5Low95 Ų9574.6 Ų74.649%0.48736%0.356SS..Hα-helixtrans-66.6-38.5172.7-54175.4000110.2F103 L104 R108 M109F103-I106 HydrophobicContact CD2-CD1 4.23Å; F103-I106 WeakPolarHBondContact O-CB 3.4Å; F103-I106 PolarHBondContact O-N 2.88Å; L104-I106 VanDerWaalsContact C-N 3.32Å; I106-R108 PolarHBondContact O-N 3.47Å; I106-M109 VanDerWaalsContact O-CB 3.26Å; I106-M109 WeakPolarHBondContact O-CB 3.39Å; I106-M109 PolarHBondContact O-N 3.45Å
107L71.6Confident69.7Low46 Ų4673.4 Ų73.424%0.24135%0.354CS..Hα-helixtrans-62.1-26.9174.1-58.6-175000112.9M75 V76 L104 M109 L110M75-L107 HydrophobicContact CE-CD1 4.35Å; V76-L107 HydrophobicContact CG2-CB 3.74Å; V76-L107 HydrophobicContact CG2-CD1 4.45Å; L104-L107 HydrophobicContact CD2-CD1 3.66Å; L104-L107 PolarHBondContact O-N 3Å; L107-M109 PolarHBondContact O-N 3.46Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 2.92Å
108R73.6Confident71.1Confident7 Ų776 Ų763%0.02637%0.366CS..Hα-helixtrans-67.1-18.1172.4-63.9179.7-176148.312.7113.3V4 E31 V76 S80 L104 Q105 I106 R111V4-R108 HydrophobicContact CG1-CB 3.8Å; E31-R108 VanDerWaalsContact CD-NH1 3.27Å; E31-R108 VanDerWaalsContact CD-NH2 3.29Å; E31-R108 IonicContact OE1-CZ 3.03Å; E31-R108 IonicContact OE1-NH1 2.91Å; E31-R108 PolarHBondContact OE1-NH1 3.29Å; E31-R108 IonicContact OE1-NH2 2.67Å; E31-R108 PolarHBondContact OE1-NH2 3.13Å; E31-R108 IonicContact OE2-CZ 3.37Å; E31-R108 IonicContact OE2-NH1 3.18Å; E31-R108 PolarHBondContact OE2-NH1 2.98Å; E31-R108 IonicContact OE2-NH2 3.46Å; V76-R108 HydrophobicContact CG1-CB 4.49Å; V76-R108 HydrophobicContact CG1-CG 3.51Å; S80-R108 VanDerWaalsContact CB-NH2 3.32Å; S80-R108 PolarHBondContact OG-NE 2.8Å; S80-R108 PolarHBondContact OG-NH2 2.89Å; L104-R108 PolarHBondContact O-N 3.43Å; Q105-R108 WeakPolarHBondContact O-CB 3.49Å; Q105-R108 PolarHBondContact O-N 3.39Å; I106-R108 PolarHBondContact O-N 3.47Å; R108-R111 VanDerWaalsContact O-CG 3.22Å; R108-R111 WeakPolarHBondContact O-CG 3.41Å; R108-R111 PolarHBondContact O-NE 2.88Å
109M76.7Confident72.3Confident92 Ų9279.3 Ų79.345%0.45337%0.373SS..Hα-helixtrans-82.5-34.6173.3-166.3173.2-178.600111.8L8 I106 L107 R111 M112L8-M109 HydrophobicContact CD1-SD 4.03Å; I106-M109 VanDerWaalsContact O-CB 3.26Å; I106-M109 WeakPolarHBondContact O-CB 3.39Å; I106-M109 PolarHBondContact O-N 3.45Å; L107-M109 PolarHBondContact O-N 3.46Å; M109-R111 VanDerWaalsContact C-N 3.26Å; M109-R111 PolarHBondContact O-N 3.29Å; M109-M112 WeakPolarHBondContact O-CB 3.39Å; M109-M112 PolarHBondContact O-N 2.9Å
110L72.3Confident73.6Confident83 Ų8379 Ų7944%0.43538%0.376SS..Hα-helixtrans-54.4-39.7-177.5-16774.1000113.1I72 L107 M112I72-L110 HydrophobicContact CD1-CD2 4.45Å; I72-L110 HydrophobicContact CG2-CD2 4.44Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 2.92Å; L110-M112 PolarHBondContact O-N 2.91Å
111R72.8Confident74.7Confident27 Ų2778.1 Ų78.110%0.10237%0.365CS..THydrogen-bonded Turntrans-71.4-1177.862.1175.6178.5166.24.7115.6F38 D73 R108 M109 D113 R114F38-R111 VanDerWaalsContact CZ-NH2 3.33Å; D73-R111 WeakPolarHBondContact OD1-CD 3.35Å; D73-R111 IonicContact OD1-CZ 3.32Å; D73-R111 IonicContact OD1-NE 2.68Å; D73-R111 IonicContact OD1-NH1 2.69Å; D73-R111 PolarHBondContact OD1-NH1 3.46Å; R108-R111 VanDerWaalsContact O-CG 3.22Å; R108-R111 WeakPolarHBondContact O-CG 3.41Å; R108-R111 PolarHBondContact O-NE 2.88Å; M109-R111 VanDerWaalsContact C-N 3.26Å; M109-R111 PolarHBondContact O-N 3.29Å; R111-D113 VanDerWaalsContact C-N 3.25Å; R111-D113 PolarHBondContact O-N 3.26Å; R111-R114 PolarHBondContact O-N 3.02Å
112M71.4Confident76.1Confident105 Ų10579.8 Ų79.852%0.51737%0.374SS..THydrogen-bonded Turntrans-62.8-34.7175.3-112.4-78.780.900111.5F1 M109 L110 R114F1-M112 HydrophobicContact CB-SD 3.99Å; F1-M112 HydrophobicContact CD2-CG 3.96Å; F1-M112 HydrophobicContact CD2-SD 3.73Å; F1-M112 HydrophobicContact CG-SD 4.28Å; M109-M112 WeakPolarHBondContact O-CB 3.39Å; M109-M112 PolarHBondContact O-N 2.9Å; L110-M112 PolarHBondContact O-N 2.91Å; M112-R114 PolarHBondContact O-N 3.44Å
113D71.1Confident77.4Confident28 Ų2879 Ų7915%0.1538%0.382CS..  trans-77.163.7166.9-168.6-0.4000111F69 R111 R115 G116 G117 T118 W119F69-D113 WeakPolarHBondContact CE1-O 3.39Å; R111-D113 VanDerWaalsContact C-N 3.25Å; R111-D113 PolarHBondContact O-N 3.26Å; D113-R115 PolarHBondContact O-N 2.89Å; D113-R115 PolarHBondContact OD1-N 3.41Å; D113-G116 PolarHBondContact O-N 3.35Å; D113-G116 WeakPolarHBondContact OD1-CA 3.44Å; D113-G116 PolarHBondContact OD1-N 2.87Å; D113-G116 WeakPolarHBondContact OD2-CA 3.4Å; D113-G117 PolarHBondContact OD1-N 2.91Å; D113-G117 PolarHBondContact OD2-N 3.27Å; D113-G117 VanDerWaalsContact OD2-N 3.17Å; D113-T118 WeakPolarHBondContact OD2-CB 3.37Å; D113-T118 PolarHBondContact OD2-N 2.92Å; D113-T118 PolarHBondContact OD2-OG1 2.9Å; D113-W119 PolarHBondContact OD2-N 3.43Å
114R68.2Low78.4Confident148 Ų14875 Ų7556%0.55837%0.371SS*.THydrogen-bonded Turntrans-60.9-8.5178.9-167.617366.9163-0.2113.3E41 R111 M112E41-R114 IonicContact OE1-CZ 3.85Å; E41-R114 IonicContact OE1-NH1 3.98Å; E41-R114 PolarHBondContact OE1-NH1 3.22Å; R111-R114 PolarHBondContact O-N 3.02Å; M112-R114 PolarHBondContact O-N 3.44Å
115R70.4Confident79.6Confident227 Ų22772.7 Ų72.786%0.85736%0.359SS*.THydrogen-bonded Turntrans-104.8-16177.6-55.5-170.7-163.3-152.55.9112.9D113 G117D113-R115 PolarHBondContact O-N 2.89Å; D113-R115 PolarHBondContact OD1-N 3.41Å; R115-G117 PolarHBondContact O-N 2.9Å
116G79.2Confident80.8Confident2 Ų274.8 Ų74.82%0.02137%0.372CS..  trans6025.8-165.600000112.6D113 K120D113-G116 PolarHBondContact O-N 3.35Å; D113-G116 WeakPolarHBondContact OD1-CA 3.44Å; D113-G116 PolarHBondContact OD1-N 2.87Å; D113-G116 WeakPolarHBondContact OD2-CA 3.4Å; G116-K120 WeakPolarHBondContact O-CB 3.49Å; G116-K120 VanDerWaalsContact O-CG 3.26Å; G116-K120 WeakPolarHBondContact O-CG 3.24Å; G116-K120 PolarHBondContact O-N 3.2Å
117G82.8Confident81.6Confident40 Ų4079.4 Ų79.441%0.41239%0.385SS..Hα-helixtrans-70.4-45.4-171.700000111.4D113 R115 K120 L121D113-G117 PolarHBondContact OD1-N 2.91Å; D113-G117 PolarHBondContact OD2-N 3.27Å; D113-G117 VanDerWaalsContact OD2-N 3.17Å; R115-G117 PolarHBondContact O-N 2.9Å; G117-K120 PolarHBondContact O-N 2.8Å; G117-L121 WeakPolarHBondContact O-CB 3.16Å; G117-L121 PolarHBondContact O-N 2.9Å
118T85.4Confident82.6Confident97 Ų9780.5 Ų80.560%0.59540%0.401SS*.Hα-helixtrans-65.8-45.6178-35.80000110D113 K120 L121 L122D113-T118 WeakPolarHBondContact OD2-CB 3.37Å; D113-T118 PolarHBondContact OD2-N 2.92Å; D113-T118 PolarHBondContact OD2-OG1 2.9Å; T118-K120 PolarHBondContact O-N 3.23Å; T118-L121 PolarHBondContact O-N 3.1Å; T118-L122 VanDerWaalsContact O-CB 3.28Å; T118-L122 WeakPolarHBondContact O-CB 3.42Å; T118-L122 PolarHBondContact O-N 3.08Å
119W87.6Confident83.7Confident147 Ų14782 Ų8256%0.55741%0.408SS*.Hα-helixtrans-62.2-38.9177.8-65.6102.8000113.2D113 L122 G123D113-W119 PolarHBondContact OD2-N 3.43Å; W119-L122 HydrophobicContact CE3-CD2 4.45Å; W119-G123 PolarHBondContact O-N 3.43Å
120K88.3Confident84.6Confident163 Ų16379.4 Ų79.471%0.70940%0.399SS*.Hα-helixtrans-69.2-39.8173.9-77.6-178.8172.7-157.10112.8G116 G117 T118 S124G116-K120 WeakPolarHBondContact O-CB 3.49Å; G116-K120 VanDerWaalsContact O-CG 3.26Å; G116-K120 WeakPolarHBondContact O-CG 3.24Å; G116-K120 PolarHBondContact O-N 3.2Å; G117-K120 PolarHBondContact O-N 2.8Å; T118-K120 PolarHBondContact O-N 3.23Å; K120-S124 WeakPolarHBondContact O-CB 3.48Å; K120-S124 PolarHBondContact O-N 2.96Å
121L87.6Confident85.7Confident63 Ų6383.9 Ų83.933%0.3342%0.415SS..Hα-helixtrans-65.1-51.3177.5-171.173000110.6G117 T118 S124 V125 F217 K220G117-L121 WeakPolarHBondContact O-CB 3.16Å; G117-L121 PolarHBondContact O-N 2.9Å; T118-L121 PolarHBondContact O-N 3.1Å; L121-S124 PolarHBondContact O-N 3.37Å; L121-V125 WeakPolarHBondContact O-CG2 3.3Å; L121-V125 PolarHBondContact O-N 2.88Å; L121-F217 HydrophobicContact CD2-CD1 4.21Å; L121-F217 HydrophobicContact CD2-CE1 4Å; L121-F217 HydrophobicContact CG-CD1 4.37Å; L121-F217 HydrophobicContact CG-CE1 3.99Å; L121-K220 HydrophobicContact CD1-CD 3.82Å; L121-K220 HydrophobicContact CD1-CG 4.46Å
122L90.3Very high86.8Confident59 Ų5987.2 Ų87.231%0.30943%0.431SS..Hα-helixtrans-57.1-53.3175.5174.863.8000111.1T118 W119 S124 V125 V126 F217T118-L122 VanDerWaalsContact O-CB 3.28Å; T118-L122 WeakPolarHBondContact O-CB 3.42Å; T118-L122 PolarHBondContact O-N 3.08Å; W119-L122 HydrophobicContact CE3-CD2 4.45Å; L122-S124 PolarHBondContact O-N 3.42Å; L122-V125 PolarHBondContact O-N 3.01Å; L122-V125 VanDerWaalsContact O-N 3.08Å; L122-V126 HydrophobicContact CD1-CG2 3.9Å; L122-V126 HydrophobicContact CG-CG2 4.28Å; L122-V126 WeakPolarHBondContact O-CB 3.42Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.46Å; L122-V126 PolarHBondContact O-N 3.44Å; L122-F217 HydrophobicContact CB-CZ 4.23Å; L122-F217 HydrophobicContact CD1-CE2 4.22Å; L122-F217 HydrophobicContact CD1-CZ 3.78Å
123G92.7Very high87.9Confident36 Ų3683.8 Ų83.837%0.37142%0.415SS..Hα-helixtrans-58.6-35.5178.200000113W119 Y127W119-G123 PolarHBondContact O-N 3.43Å; G123-Y127 WeakPolarHBondContact O-CB 3.34Å; G123-Y127 PolarHBondContact O-N 3.05Å
124S89.1Confident89.1Confident53 Ų5387.9 Ų87.937%0.37144%0.436SS..Hα-helixtrans-75.1-26.7176.5-174.50000113.7K120 L121 L122 A128 K220K120-S124 WeakPolarHBondContact O-CB 3.48Å; K120-S124 PolarHBondContact O-N 2.96Å; L121-S124 PolarHBondContact O-N 3.37Å; L122-S124 PolarHBondContact O-N 3.42Å; S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 3.42Å; S124-K220 WeakPolarHBondContact OG-CE 3.39Å; S124-K220 PolarHBondContact OG-NZ 3.1Å
125V93.6Very high90.5Very high2 Ų284.6 Ų84.61%0.01243%0.432CS..Hα-helixtrans-74.8-50.3169.2174.80000110.1L121 L122 Y127 A128 H129 L213 F217 K220L121-V125 WeakPolarHBondContact O-CG2 3.3Å; L121-V125 PolarHBondContact O-N 2.88Å; L122-V125 PolarHBondContact O-N 3.01Å; L122-V125 VanDerWaalsContact O-N 3.08Å; V125-Y127 VanDerWaalsContact C-N 3.28Å; V125-Y127 PolarHBondContact O-N 2.89Å; V125-A128 PolarHBondContact O-N 3.29Å; V125-H129 PolarHBondContact O-CD2 3.12Å; V125-H129 PolarHBondContact O-N 2.71Å; V125-L213 HydrophobicContact CG1-CD2 3.89Å; V125-F217 HydrophobicContact CB-CE1 4.46Å; V125-F217 HydrophobicContact CG2-CD1 3.77Å; V125-F217 HydrophobicContact CG2-CE1 3.85Å; V125-F217 HydrophobicContact CG2-CG 4.32Å; V125-F217 HydrophobicContact CG2-CZ 4.47Å; V125-K220 HydrophobicContact CG2-CB 4.46Å; V125-K220 HydrophobicContact CG2-CD 3.51Å
126V95.1Very high91.7Very high50 Ų5074 Ų7430%0.30339%0.393SS..Hα-helixtrans-57.1-39.91781700000111.6L122 S130 L133 L213L122-V126 HydrophobicContact CD1-CG2 3.9Å; L122-V126 HydrophobicContact CG-CG2 4.28Å; L122-V126 WeakPolarHBondContact O-CB 3.42Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.46Å; L122-V126 PolarHBondContact O-N 3.44Å; V126-S130 WeakPolarHBondContact O-CA 3.41Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 2.84Å; V126-L133 HydrophobicContact CG1-CD2 4.1Å; V126-L213 HydrophobicContact CG2-CD2 3.74Å
127Y94.9Very high92.5Very high192 Ų19282.6 Ų82.675%0.75343%0.425SS*.Hα-helixtrans-69.6-43.6176.8-175.9-100.9000112.5G123 V125 S130G123-Y127 WeakPolarHBondContact O-CB 3.34Å; G123-Y127 PolarHBondContact O-N 3.05Å; V125-Y127 VanDerWaalsContact C-N 3.28Å; V125-Y127 PolarHBondContact O-N 2.89Å; Y127-S130 VanDerWaalsContact O-CB 3.22Å; Y127-S130 WeakPolarHBondContact O-CB 3.34Å; Y127-S130 PolarHBondContact O-N 3.2Å; Y127-S130 PolarHBondContact O-OG 3.41Å
128A92.5Very high93.2Very high69 Ų6988.3 Ų88.357%0.5744%0.435SS*.Hα-helixtrans-62-44.9178.500000112.1S124 V125 S130S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 3.42Å; V125-A128 PolarHBondContact O-N 3.29Å; A128-S130 VanDerWaalsContact C-N 3.33Å
129H95.6Very high93.7Very high39 Ų3986.9 Ų86.918%0.18142%0.423CS..THydrogen-bonded Turntrans-94.219.1178.9-63.1-84.5000113V125 K131 E132 L133 I212V125-H129 PolarHBondContact O-CD2 3.12Å; V125-H129 PolarHBondContact O-N 2.71Å; H129-K131 VanDerWaalsContact C-N 3.33Å; H129-K131 PolarHBondContact O-N 2.97Å; H129-E132 IonicContact CE1-OE2 3.37Å; H129-E132 IonicContact CG-OE2 3.57Å; H129-E132 IonicContact ND1-OE1 2.69Å; H129-E132 IonicContact ND1-OE2 3.55Å; H129-E132 PolarHBondContact ND1-OE2 3.37Å; H129-E132 PolarHBondContact O-N 2.94Å; H129-E132 VanDerWaalsContact O-N 3.15Å; H129-L133 WeakPolarHBondContact O-CB 3.31Å; H129-L133 PolarHBondContact O-N 3.29Å; H129-I212 HydrophobicContact CB-CG2 3.65Å
130S95.3Very high94.1Very high38 Ų3880 Ų8027%0.26640%0.398SS..Hα-helixtrans-58.6-40.9-17250.40000113.3V126 Y127 A128 L133 I134V126-S130 WeakPolarHBondContact O-CA 3.41Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 2.84Å; Y127-S130 VanDerWaalsContact O-CB 3.22Å; Y127-S130 WeakPolarHBondContact O-CB 3.34Å; Y127-S130 PolarHBondContact O-N 3.2Å; Y127-S130 PolarHBondContact O-OG 3.41Å; A128-S130 VanDerWaalsContact C-N 3.33Å; S130-L133 PolarHBondContact O-N 2.84Å; S130-I134 WeakPolarHBondContact O-CB 3.36Å; S130-I134 WeakPolarHBondContact O-CD1 3.43Å; S130-I134 WeakPolarHBondContact O-CG1 3.2Å; S130-I134 PolarHBondContact O-N 3.37Å
131K95.6Very high94.5Very high176 Ų17678.2 Ų78.277%0.76539%0.39SS*.Hα-helixtrans-61.9-45.4177.2-66-179.8179.8178.50112H129 I134 T135H129-K131 VanDerWaalsContact C-N 3.33Å; H129-K131 PolarHBondContact O-N 2.97Å; K131-I134 PolarHBondContact O-N 3.41Å; K131-T135 WeakPolarHBondContact O-CG2 3.48Å; K131-T135 PolarHBondContact O-N 2.96Å; K131-T135 PolarHBondContact O-OG1 3.42Å
132E95.8Very high94.9Very high97 Ų9779.1 Ų79.145%0.45340%0.395SS..Hα-helixtrans-68.3-38.9-179.4-61164.7-176.800111.4H129 T135 A136 I212H129-E132 IonicContact CE1-OE2 3.37Å; H129-E132 IonicContact CG-OE2 3.57Å; H129-E132 IonicContact ND1-OE1 2.69Å; H129-E132 IonicContact ND1-OE2 3.55Å; H129-E132 PolarHBondContact ND1-OE2 3.37Å; H129-E132 PolarHBondContact O-N 2.94Å; H129-E132 VanDerWaalsContact O-N 3.15Å; E132-T135 PolarHBondContact O-OG1 2.73Å; E132-T135 VanDerWaalsContact O-OG1 3.12Å; E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 2.93Å; E132-A136 VanDerWaalsContact O-N 3.11Å; E132-I212 HydrophobicContact CB-CD1 4.12Å; E132-I212 HydrophobicContact CB-CG2 4.28Å
133L95.4Very high95.2Very high33 Ų3376.8 Ų76.817%0.17338%0.384CS..Hα-helixtrans-65.9-43.7175.5-164.377.7000111.5V126 H129 S130 W137 P209 L213V126-L133 HydrophobicContact CG1-CD2 4.1Å; H129-L133 WeakPolarHBondContact O-CB 3.31Å; H129-L133 PolarHBondContact O-N 3.29Å; S130-L133 PolarHBondContact O-N 2.84Å; L133-W137 WeakPolarHBondContact O-CB 3.46Å; L133-W137 PolarHBondContact O-N 3.4Å; L133-P209 HydrophobicContact CD1-CB 3.79Å; L133-P209 HydrophobicContact CD1-CG 4.43Å; L133-L213 HydrophobicContact CD1-CG 4.44Å
134I96.6Very high95.4Very high114 Ų11475.5 Ų75.559%0.58537%0.368SS*.Hα-helixtrans-67.6-41.7-179.9-71.4165.5000111.2S130 K131 W137 Y138S130-I134 WeakPolarHBondContact O-CB 3.36Å; S130-I134 WeakPolarHBondContact O-CD1 3.43Å; S130-I134 WeakPolarHBondContact O-CG1 3.2Å; S130-I134 PolarHBondContact O-N 3.37Å; K131-I134 PolarHBondContact O-N 3.41Å; I134-W137 PolarHBondContact O-N 3.42Å; I134-Y138 VanDerWaalsContact O-CB 3.25Å; I134-Y138 WeakPolarHBondContact O-CB 3.15Å; I134-Y138 PolarHBondContact O-N 3.05Å
135T96.1Very high95.8Very high80 Ų8075.6 Ų75.649%0.49136%0.364SS..Hα-helixtrans-66.9-41.1176.752.20000111.9K131 E132 Y138 I139K131-T135 WeakPolarHBondContact O-CG2 3.48Å; K131-T135 PolarHBondContact O-N 2.96Å; K131-T135 PolarHBondContact O-OG1 3.42Å; E132-T135 PolarHBondContact O-OG1 2.73Å; E132-T135 VanDerWaalsContact O-OG1 3.12Å; T135-Y138 PolarHBondContact O-N 2.99Å; T135-I139 VanDerWaalsContact O-CG1 3.3Å; T135-I139 WeakPolarHBondContact O-CG1 3.21Å; T135-I139 PolarHBondContact O-N 2.84Å
136A96.1Very high96Very high3 Ų379.3 Ų79.33%0.02538%0.383CS..Hα-helixtrans-60.7-46.4174.200000112.1E132 G140 L208 P209 I212E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 2.93Å; E132-A136 VanDerWaalsContact O-N 3.11Å; A136-G140 PolarHBondContact O-N 3.35Å; A136-L208 HydrophobicContact CB-CB 4.02Å; A136-L208 HydrophobicContact CB-CD1 4.36Å; A136-P209 HydrophobicContact CB-CG 4.31Å; A136-I212 HydrophobicContact CB-CD1 4.4Å
137W96Very high96Very high183 Ų18377 Ų7769%0.69337%0.37SS*.Hα-helixtrans-62.8-43.2175.4-102.257.1000112.9L133 I134 F141L133-W137 WeakPolarHBondContact O-CB 3.46Å; L133-W137 PolarHBondContact O-N 3.4Å; I134-W137 PolarHBondContact O-N 3.42Å; W137-F141 VanDerWaalsContact O-CB 3.27Å; W137-F141 WeakPolarHBondContact O-CB 3.37Å; W137-F141 PolarHBondContact O-N 3.47Å
138Y97.3Very high96.1Very high160 Ų16067.9 Ų67.963%0.62733%0.334SS*.Hα-helixtrans-62.8-48.7179.8174.9-102000111.8I134 T135 F141 L142I134-Y138 VanDerWaalsContact O-CB 3.25Å; I134-Y138 WeakPolarHBondContact O-CB 3.15Å; I134-Y138 PolarHBondContact O-N 3.05Å; T135-Y138 PolarHBondContact O-N 2.99Å; Y138-F141 PolarHBondContact O-N 3.48Å; Y138-L142 WeakPolarHBondContact O-CB 3.45Å; Y138-L142 PolarHBondContact O-N 2.93Å
139I96.4Very high96.4Very high68 Ų6869.7 Ų69.735%0.34933%0.329SS..Hα-helixtrans-68.7-40.6179.7-60.3165.2000110.6T135 L142 C143 F205T135-I139 VanDerWaalsContact O-CG1 3.3Å; T135-I139 WeakPolarHBondContact O-CG1 3.21Å; T135-I139 PolarHBondContact O-N 2.84Å; I139-L142 PolarHBondContact O-N 3.19Å; I139-C143 VanDerWaalsContact O-CB 3.25Å; I139-C143 WeakPolarHBondContact O-CB 3.47Å; I139-C143 PolarHBondContact O-N 2.79Å; I139-F205 HydrophobicContact CB-CD1 3.92Å; I139-F205 HydrophobicContact CB-CE1 3.98Å; I139-F205 HydrophobicContact CB-CG 4.4Å; I139-F205 HydrophobicContact CB-CZ 4.49Å; I139-F205 HydrophobicContact CD1-CE1 3.91Å; I139-F205 HydrophobicContact CG2-CD1 3.71Å; I139-F205 HydrophobicContact CG2-CD2 3.91Å; I139-F205 HydrophobicContact CG2-CE1 3.55Å; I139-F205 HydrophobicContact CG2-CE2 3.75Å; I139-F205 HydrophobicContact CG2-CG 3.91Å; I139-F205 HydrophobicContact CG2-CZ 3.58Å
140G96.3Very high96.4Very high2 Ų270.8 Ų70.82%0.02134%0.336CS..Hα-helixtrans-60.2-46174.700000112.8A136 C143 L144 F206A136-G140 PolarHBondContact O-N 3.35Å; G140-C143 WeakPolarHBondContact O-CB 3.29Å; G140-C143 PolarHBondContact O-N 3.23Å; G140-L144 WeakPolarHBondContact O-CB 3.34Å; G140-L144 PolarHBondContact O-N 3.5Å; G140-F206 WeakPolarHBondContact O-CE2 3.38Å
141F96.8Very high96.4Very high126 Ų12669 Ų6955%0.55332%0.323SS*.Hα-helixtrans-67.7-40.9178-170.4-98.7000112.4W137 Y138 C143 L144 I145W137-F141 VanDerWaalsContact O-CB 3.27Å; W137-F141 WeakPolarHBondContact O-CB 3.37Å; W137-F141 PolarHBondContact O-N 3.47Å; Y138-F141 PolarHBondContact O-N 3.48Å; F141-C143 VanDerWaalsContact C-N 3.32Å; F141-C143 PolarHBondContact O-N 3.04Å; F141-L144 PolarHBondContact O-N 3.34Å; F141-I145 HydrophobicContact CD1-CG1 4.14Å; F141-I145 HydrophobicContact CE1-CD1 4.16Å; F141-I145 HydrophobicContact CE1-CG1 3.78Å; F141-I145 HydrophobicContact CZ-CD1 4Å; F141-I145 HydrophobicContact CZ-CG1 4.08Å; F141-I145 WeakPolarHBondContact O-CG1 3.47Å; F141-I145 PolarHBondContact O-N 2.76Å
142L96.5Very high96.5Very high81 Ų8162.6 Ų62.642%0.42430%0.295SS..Hα-helixtrans-60.7-42.7173.4-178.262.2000111.4Y138 I139 I145 L146Y138-L142 WeakPolarHBondContact O-CB 3.45Å; Y138-L142 PolarHBondContact O-N 2.93Å; I139-L142 PolarHBondContact O-N 3.19Å; L142-I145 PolarHBondContact O-N 2.8Å; L142-L146 HydrophobicContact CD1-CD1 4.22Å; L142-L146 HydrophobicContact CD1-CG 4.47Å; L142-L146 HydrophobicContact CG-CD1 4.08Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 2.71Å
143C96.1Very high96.5Very high11 Ų1161.4 Ų61.47%0.07430%0.297CS..Hα-helixtrans-61.9-43.8174.6-1720000111.8I139 G140 F141 L146 A147I139-C143 VanDerWaalsContact O-CB 3.25Å; I139-C143 WeakPolarHBondContact O-CB 3.47Å; I139-C143 PolarHBondContact O-N 2.79Å; G140-C143 WeakPolarHBondContact O-CB 3.29Å; G140-C143 PolarHBondContact O-N 3.23Å; F141-C143 VanDerWaalsContact C-N 3.32Å; F141-C143 PolarHBondContact O-N 3.04Å; C143-L146 PolarHBondContact O-N 3.41Å; C143-A147 WeakPolarHBondContact O-CB 3.39Å; C143-A147 PolarHBondContact O-N 2.74Å
144L97.2Very high96.5Very high8 Ų862.1 Ų62.14%0.04230%0.303CS..Hα-helixtrans-59.3-48.1176.6-175.9153000112G140 F141 S148 L169 L173 L176 F206G140-L144 WeakPolarHBondContact O-CB 3.34Å; G140-L144 PolarHBondContact O-N 3.5Å; F141-L144 PolarHBondContact O-N 3.34Å; L144-S148 VanDerWaalsContact O-CB 3.27Å; L144-S148 WeakPolarHBondContact O-CB 3.37Å; L144-S148 PolarHBondContact O-N 3.49Å; L144-S148 PolarHBondContact O-OG 3.26Å; L144-L169 HydrophobicContact CD2-CD1 3.55Å; L144-L169 HydrophobicContact CD2-CG 4.16Å; L144-L173 HydrophobicContact CD1-CB 4.11Å; L144-L173 HydrophobicContact CD1-CD1 3.82Å; L144-L176 HydrophobicContact CB-CD1 3.89Å; L144-L176 HydrophobicContact CG-CD1 4.39Å; L144-F206 HydrophobicContact CB-CE2 4.33Å; L144-F206 HydrophobicContact CB-CZ 4.41Å; L144-F206 HydrophobicContact CD1-CE2 4.31Å; L144-F206 HydrophobicContact CD1-CZ 3.72Å
145I97.6Very high96.4Very high56 Ų5656.7 Ų56.729%0.28728%0.275SS..Hα-helixtrans-63.2-46.3179.4-65.9-65.7000110.9F141 L142 F149 Y165 L169F141-I145 HydrophobicContact CD1-CG1 4.14Å; F141-I145 HydrophobicContact CE1-CD1 4.16Å; F141-I145 HydrophobicContact CE1-CG1 3.78Å; F141-I145 HydrophobicContact CZ-CD1 4Å; F141-I145 HydrophobicContact CZ-CG1 4.08Å; F141-I145 WeakPolarHBondContact O-CG1 3.47Å; F141-I145 PolarHBondContact O-N 2.76Å; L142-I145 PolarHBondContact O-N 2.8Å; I145-F149 VanDerWaalsContact O-CB 3.28Å; I145-F149 WeakPolarHBondContact O-CB 3.31Å; I145-F149 PolarHBondContact O-N 3.4Å; I145-Y165 WeakPolarHBondContact CD1-OH 3.38Å; I145-L169 HydrophobicContact CD1-CD1 3.74Å
146L97Very high96.2Very high79 Ų7958.2 Ų58.241%0.41427%0.274SS..Hα-helixtrans-64.3-44.9178.7-70.8170.6000112.4L142 C143 F149 L150 F198L142-L146 HydrophobicContact CD1-CD1 4.22Å; L142-L146 HydrophobicContact CD1-CG 4.47Å; L142-L146 HydrophobicContact CG-CD1 4.08Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 2.71Å; C143-L146 PolarHBondContact O-N 3.41Å; L146-F149 PolarHBondContact O-N 3.31Å; L146-L150 WeakPolarHBondContact O-CB 3.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.34Å; L146-F198 HydrophobicContact CB-CE1 4.25Å
147A96.1Very high95.9Very high2 Ų267.6 Ų67.62%0.01732%0.318CS..Hα-helixtrans-62.3-47.1178.200000111.8C143 V151 F198C143-A147 WeakPolarHBondContact O-CB 3.39Å; C143-A147 PolarHBondContact O-N 2.74Å; A147-V151 WeakPolarHBondContact O-CB 3.45Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 3.23Å; A147-F198 HydrophobicContact CB-CB 3.56Å; A147-F198 HydrophobicContact CB-CD1 3.88Å; A147-F198 HydrophobicContact CB-CD2 4.23Å; A147-F198 HydrophobicContact CB-CG 3.62Å
148S96.9Very high95.4Very high0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-62.6-44.5179.1-53.20000111.1L144 Y152 A168L144-S148 VanDerWaalsContact O-CB 3.27Å; L144-S148 WeakPolarHBondContact O-CB 3.37Å; L144-S148 PolarHBondContact O-N 3.49Å; L144-S148 PolarHBondContact O-OG 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.46Å; S148-Y152 PolarHBondContact O-N 3.18Å; S148-A168 WeakPolarHBondContact O-CB 3.45Å; S148-A168 PolarHBondContact OG-O 3.2Å
149F97Very high95Very high108 Ų10854.8 Ų54.847%0.47428%0.279SS..Hα-helixtrans-65.5-46.3179.2179.2-99.7000112.5I145 L146 Y152 S153 Y165I145-F149 VanDerWaalsContact O-CB 3.28Å; I145-F149 WeakPolarHBondContact O-CB 3.31Å; I145-F149 PolarHBondContact O-N 3.4Å; L146-F149 PolarHBondContact O-N 3.31Å; F149-Y152 PolarHBondContact O-N 2.91Å; F149-S153 WeakPolarHBondContact O-CB 3.47Å; F149-S153 PolarHBondContact O-N 3.32Å; F149-S153 PolarHBondContact O-OG 2.89Å; F149-S153 VanDerWaalsContact O-OG 3.07Å; F149-Y165 HydrophobicContact CB-CE2 4.02Å; F149-Y165 HydrophobicContact CD2-CE2 4.45Å
150L96.3Very high94.7Very high62 Ų6259.7 Ų59.733%0.32530%0.301SS..Hα-helixtrans-70.2-36.9-177.4-70.4169.4000112.6L146 V154 L194 F198L146-L150 WeakPolarHBondContact O-CB 3.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.44Å; L150-V154 PolarHBondContact O-N 3.46Å; L150-L194 HydrophobicContact CB-CD1 4.41Å; L150-F198 HydrophobicContact CD1-CE2 3.54Å; L150-F198 HydrophobicContact CD1-CZ 3.57Å
151V95.9Very high94.4Very high0 Ų062.1 Ų62.10%031%0.311CS..Hα-helixtrans-71.3-40.9174.3174.40000110.9A147 S153 V154 E155 F162 W171 P186 L194A147-V151 WeakPolarHBondContact O-CB 3.45Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 3.23Å; V151-S153 PolarHBondContact O-N 3.38Å; V151-V154 PolarHBondContact O-N 2.63Å; V151-E155 HydrophobicContact CG1-CG 3.87Å; V151-E155 WeakPolarHBondContact O-CB 3.48Å; V151-E155 WeakPolarHBondContact O-CG 3.41Å; V151-E155 PolarHBondContact O-N 3.42Å; V151-F162 HydrophobicContact CG1-CE1 4.33Å; V151-F162 HydrophobicContact CG1-CZ 4.46Å; V151-W171 HydrophobicContact CB-CE3 4.34Å; V151-W171 HydrophobicContact CB-CH2 4.25Å; V151-W171 HydrophobicContact CB-CZ3 3.75Å; V151-W171 HydrophobicContact CG1-CE3 4.14Å; V151-W171 HydrophobicContact CG1-CH2 4.16Å; V151-W171 HydrophobicContact CG1-CZ3 3.85Å; V151-W171 HydrophobicContact CG2-CH2 3.77Å; V151-W171 HydrophobicContact CG2-CZ3 3.68Å; V151-P186 HydrophobicContact CG1-CB 4.2Å; V151-L194 HydrophobicContact CG2-CB 4.08Å
152Y96.8Very high94.2Very high42 Ų4256.1 Ų56.117%0.16529%0.285CS..Hα-helixtrans-54.6-50.5170.9174-119.9000112S148 F149 V154 E155 K156 F162 T164 Y165 A168S148-Y152 WeakPolarHBondContact O-CB 3.46Å; S148-Y152 PolarHBondContact O-N 3.18Å; F149-Y152 PolarHBondContact O-N 2.91Å; Y152-V154 PolarHBondContact O-N 2.86Å; Y152-E155 PolarHBondContact O-N 3.19Å; Y152-K156 HydrophobicContact CD2-CB 4.16Å; Y152-K156 HydrophobicContact CD2-CG 4.38Å; Y152-K156 HydrophobicContact CE1-CD 4.43Å; Y152-K156 HydrophobicContact CE2-CB 4.04Å; Y152-K156 HydrophobicContact CE2-CD 3.79Å; Y152-K156 HydrophobicContact CE2-CG 3.77Å; Y152-K156 WeakPolarHBondContact O-CB 3.27Å; Y152-K156 PolarHBondContact O-N 3.04Å; Y152-K156 WeakPolarHBondContact OH-CE 2.98Å; Y152-F162 WeakPolarHBondContact CD2-O 3.42Å; Y152-F162 WeakPolarHBondContact CE2-O 3.09Å; Y152-T164 VanDerWaalsContact CE2-C 3.48Å; Y152-Y165 HydrophobicContact CD1-CD2 4.09Å; Y152-Y165 HydrophobicContact CG-CD2 4.41Å; Y152-A168 HydrophobicContact CD2-CB 4.39Å; Y152-A168 HydrophobicContact CG-CB 4.31Å
153S95.3Very high93.9Very high71 Ų7158.8 Ų58.850%0.49730%0.295SS..Hα-helixtrans-62.5-15.2-179.3-66.60000114.8F149 V151F149-S153 WeakPolarHBondContact O-CB 3.47Å; F149-S153 PolarHBondContact O-N 3.32Å; F149-S153 PolarHBondContact O-OG 2.89Å; F149-S153 VanDerWaalsContact O-OG 3.07Å; V151-S153 PolarHBondContact O-N 3.38Å
154V95.6Very high93.9Very high49 Ų4961.1 Ų61.130%0.29731%0.31SS..Hα-helixtrans-103.9-36.2177.1173.30000112.2L150 V151 Y152 T188 N190 L194L150-V154 WeakPolarHBondContact O-CG2 3.44Å; L150-V154 PolarHBondContact O-N 3.46Å; V151-V154 PolarHBondContact O-N 2.63Å; Y152-V154 PolarHBondContact O-N 2.86Å; V154-T188 WeakPolarHBondContact CG1-OG1 3.37Å; V154-N190 HydrophobicContact CG1-CB 3.71Å; V154-L194 HydrophobicContact CG2-CD1 3.85Å
155E94.6Very high93.8Very high0 Ų064.3 Ų64.30%032%0.322CS..Hα-helixtrans-86.1-27.6-177-68.3-70.5136.200113.5V151 Y152 E157 S158 N159 F162 P186 K187 T188V151-E155 HydrophobicContact CG1-CG 3.87Å; V151-E155 WeakPolarHBondContact O-CB 3.48Å; V151-E155 WeakPolarHBondContact O-CG 3.41Å; V151-E155 PolarHBondContact O-N 3.42Å; Y152-E155 PolarHBondContact O-N 3.19Å; E155-E157 VanDerWaalsContact C-N 3.27Å; E155-E157 PolarHBondContact O-N 2.96Å; E155-E157 VanDerWaalsContact O-N 3.09Å; E155-S158 CarbonylContact O-C 3.54Å; E155-S158 PolarHBondContact O-N 2.86Å; E155-S158 PolarHBondContact O-OG 2.93Å; E155-N159 HydrophobicContact CB-CB 4.37Å; E155-N159 PolarHBondContact O-N 3.46Å; E155-N159 WeakPolarHBondContact OE2-CB 3.49Å; E155-N159 PolarHBondContact OE2-ND2 2.82Å; E155-F162 HydrophobicContact CB-CB 4.03Å; E155-F162 HydrophobicContact CB-CD2 3.69Å; E155-F162 HydrophobicContact CB-CE2 4.31Å; E155-F162 HydrophobicContact CB-CG 3.88Å; E155-F162 HydrophobicContact CG-CD2 4.12Å; E155-F162 HydrophobicContact CG-CE2 4.23Å; E155-P186 VanDerWaalsContact CD-CA 3.4Å; E155-P186 HydrophobicContact CG-CB 3.89Å; E155-P186 WeakPolarHBondContact OE1-CB 3.33Å; E155-P186 VanDerWaalsContact OE2-CA 3.31Å; E155-P186 WeakPolarHBondContact OE2-CA 3.31Å; E155-K187 VanDerWaalsContact CD-N 3.33Å; E155-K187 PolarHBondContact OE1-N 2.95Å; E155-K187 PolarHBondContact OE2-N 3.11Å; E155-T188 VanDerWaalsContact OE1-CB 3.27Å; E155-T188 WeakPolarHBondContact OE1-CB 3.4Å; E155-T188 WeakPolarHBondContact OE1-CG2 3.07Å; E155-T188 PolarHBondContact OE1-N 3.41Å; E155-T188 PolarHBondContact OE1-OG1 3.34Å
156K92.1Very high93.8Very high111 Ų11164.7 Ų64.748%0.48333%0.333SS..THydrogen-bonded Turntrans-53.2-37.7-170.8-171.7-165.3-176.9-164.20114.7Y152 S158Y152-K156 HydrophobicContact CD2-CB 4.16Å; Y152-K156 HydrophobicContact CD2-CG 4.38Å; Y152-K156 HydrophobicContact CE1-CD 4.43Å; Y152-K156 HydrophobicContact CE2-CB 4.04Å; Y152-K156 HydrophobicContact CE2-CD 3.79Å; Y152-K156 HydrophobicContact CE2-CG 3.77Å; Y152-K156 WeakPolarHBondContact O-CB 3.27Å; Y152-K156 PolarHBondContact O-N 3.04Å; Y152-K156 WeakPolarHBondContact OH-CE 2.98Å; K156-S158 VanDerWaalsContact C-N 3.33Å
157E89.3Confident93.7Very high200 Ų20062.8 Ų62.894%0.93532%0.323SS*.THydrogen-bonded Turntrans-85.5-4.5-178.7-61.8-173.9170.600113.6E155E155-E157 VanDerWaalsContact C-N 3.27Å; E155-E157 PolarHBondContact O-N 2.96Å; E155-E157 VanDerWaalsContact O-N 3.09Å
158S86.6Confident93.7Very high68 Ų6862.7 Ų62.748%0.47632%0.323SS..THydrogen-bonded Turntrans-134.6-8.7-169.559.20000115E155 K156 T188E155-S158 CarbonylContact O-C 3.54Å; E155-S158 PolarHBondContact O-N 2.86Å; E155-S158 PolarHBondContact O-OG 2.93Å; K156-S158 VanDerWaalsContact C-N 3.33Å; S158-T188 WeakPolarHBondContact OG-CG2 3.39Å
159N89.4Confident93.7Very high6 Ų665.7 Ų65.73%0.03234%0.338CS..  trans-144.7111.4-179.6-172.74.8000111.9E155 E161 F162 V185 K187E155-N159 HydrophobicContact CB-CB 4.37Å; E155-N159 PolarHBondContact O-N 3.46Å; E155-N159 WeakPolarHBondContact OE2-CB 3.49Å; E155-N159 PolarHBondContact OE2-ND2 2.82Å; N159-E161 PolarHBondContact ND2-OE2 3.33Å; N159-E161 PolarHBondContact O-N 3.35Å; N159-E161 WeakPolarHBondContact OD1-CB 2.92Å; N159-E161 WeakPolarHBondContact OD1-CG 3.44Å; N159-E161 PolarHBondContact OD1-N 3.01Å; N159-E161 VanDerWaalsContact OD1-N 3.12Å; N159-F162 HydrophobicContact CB-CD2 4.17Å; N159-F162 WeakPolarHBondContact ND2-CD2 3.46Å; N159-F162 WeakPolarHBondContact ND2-CE2 3.41Å; N159-F162 PolarHBondContact O-N 3.01Å; N159-V185 PolarHBondContact ND2-O 3.06Å; N159-V185 VanDerWaalsContact ND2-O 3.13Å; N159-K187 HydrophobicContact CB-CD 4.2Å; N159-K187 WeakPolarHBondContact OD1-CE 3.33Å; N159-K187 PolarHBondContact OD1-NZ 3.39Å
160E88.8Confident93.7Very high172 Ų17265.7 Ų65.780%0.80434%0.335SS*.G310 helixtrans-58.3-17.6176.4-61.6170.5168.800113.3F162E160-F162 PolarHBondContact O-N 3Å
161E90Very high93.8Very high52 Ų5263.7 Ų63.724%0.24332%0.323CS..G310 helixtrans-63.6-22.7172-68.5159.6-15900113.2N159 K184 V185 K187N159-E161 PolarHBondContact ND2-OE2 3.33Å; N159-E161 PolarHBondContact O-N 3.35Å; N159-E161 WeakPolarHBondContact OD1-CB 2.92Å; N159-E161 WeakPolarHBondContact OD1-CG 3.44Å; N159-E161 PolarHBondContact OD1-N 3.01Å; N159-E161 VanDerWaalsContact OD1-N 3.12Å; E161-K184 HydrophobicContact CB-CB 4.33Å; E161-K184 HydrophobicContact CB-CG 4.23Å; E161-K184 WeakPolarHBondContact O-CD 3.21Å; E161-K184 PolarHBondContact O-NZ 2.68Å; E161-V185 PolarHBondContact OE2-N 2.88Å; E161-K187 VanDerWaalsContact CD-NZ 3.31Å; E161-K187 WeakPolarHBondContact OE1-CE 3.48Å; E161-K187 IonicContact OE1-NZ 3.68Å; E161-K187 PolarHBondContact OE1-NZ 2.89Å; E161-K187 IonicContact OE2-NZ 3.45Å
162F92.9Very high93.8Very high0 Ų063.8 Ų63.80%032%0.324CS..G310 helixtrans-114.935.3-174.1-65.9-86.8000113.1V151 Y152 E155 N159 E160 T164 A168 W171 K184V151-F162 HydrophobicContact CG1-CE1 4.33Å; V151-F162 HydrophobicContact CG1-CZ 4.46Å; Y152-F162 WeakPolarHBondContact CD2-O 3.42Å; Y152-F162 WeakPolarHBondContact CE2-O 3.09Å; E155-F162 HydrophobicContact CB-CB 4.03Å; E155-F162 HydrophobicContact CB-CD2 3.69Å; E155-F162 HydrophobicContact CB-CE2 4.31Å; E155-F162 HydrophobicContact CB-CG 3.88Å; E155-F162 HydrophobicContact CG-CD2 4.12Å; E155-F162 HydrophobicContact CG-CE2 4.23Å; N159-F162 HydrophobicContact CB-CD2 4.17Å; N159-F162 WeakPolarHBondContact ND2-CD2 3.46Å; N159-F162 WeakPolarHBondContact ND2-CE2 3.41Å; N159-F162 PolarHBondContact O-N 3.01Å; E160-F162 PolarHBondContact O-N 3Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.25Å; F162-A168 HydrophobicContact CD1-CB 3.92Å; F162-A168 HydrophobicContact CE1-CB 4.36Å; F162-W171 HydrophobicContact CE1-CB 3.82Å; F162-W171 HydrophobicContact CE1-CD2 4.08Å; F162-W171 HydrophobicContact CE1-CE3 4.34Å; F162-W171 AromaticContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CZ-CB 4.24Å; F162-W171 HydrophobicContact CZ-CD2 4.18Å; F162-W171 AromaticContact CZ-CG 3.87Å; F162-W171 HydrophobicContact CZ-CG 3.87Å; F162-K184 HydrophobicContact CZ-CB 4.35Å
163E90.9Very high93.8Very high137 Ų13765.2 Ų65.264%0.6433%0.334SS*.SBendtrans-50.7-45.5175.3-83.5-178.9-173.300113.4
164T95.1Very high93.9Very high61 Ų6162.3 Ų62.337%0.37431%0.313SS..SBendtrans-117.1156.9-17887.20000112.9Y152 F162 A166 D167 A168Y152-T164 VanDerWaalsContact CE2-C 3.48Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.25Å; T164-A166 PolarHBondContact O-N 2.99Å; T164-A166 PolarHBondContact OG1-N 3.14Å; T164-D167 WeakPolarHBondContact CA-OD2 3.31Å; T164-D167 VanDerWaalsContact CB-OD2 3.26Å; T164-D167 WeakPolarHBondContact CB-OD2 3.17Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.26Å; T164-D167 PolarHBondContact N-OD2 3.38Å; T164-D167 VanDerWaalsContact N-OD2 3.08Å; T164-D167 WeakPolarHBondContact O-CB 3.35Å; T164-D167 PolarHBondContact O-N 3.46Å; T164-D167 VanDerWaalsContact O-N 3.13Å; T164-D167 PolarHBondContact OG1-N 3.42Å; T164-D167 PolarHBondContact OG1-OD2 2.82Å; T164-A168 PolarHBondContact O-N 3.47Å
165Y95.9Very high93.9Very high75 Ų7561.4 Ų61.429%0.29431%0.308SS..Hα-helixtrans-61.5-25.5171.9177.6-104.7000112.9I145 F149 Y152 D167 A168 L169I145-Y165 WeakPolarHBondContact CD1-OH 3.38Å; F149-Y165 HydrophobicContact CB-CE2 4.02Å; F149-Y165 HydrophobicContact CD2-CE2 4.45Å; Y152-Y165 HydrophobicContact CD1-CD2 4.09Å; Y152-Y165 HydrophobicContact CG-CD2 4.41Å; Y165-D167 VanDerWaalsContact C-N 3.33Å; Y165-A168 PolarHBondContact O-N 3.17Å; Y165-L169 HydrophobicContact CE1-CD1 4.11Å; Y165-L169 WeakPolarHBondContact O-CB 3.35Å; Y165-L169 PolarHBondContact O-N 3Å
166A96.9Very high94Very high64 Ų6461.6 Ų61.653%0.52931%0.309SS..Hα-helixtrans-68.7-32.9176.200000112T164 L169 W170T164-A166 PolarHBondContact O-N 2.99Å; T164-A166 PolarHBondContact OG1-N 3.14Å; A166-L169 PolarHBondContact O-N 3.43Å; A166-W170 PolarHBondContact O-N 2.84Å
167D95.6Very high94.2Very high39 Ų3958.4 Ų58.421%0.20930%0.299CS..Hα-helixtrans-67.3-41.5174.9-59.7-70.1000111.8T164 Y165 W170 W171 K184T164-D167 WeakPolarHBondContact CA-OD2 3.31Å; T164-D167 VanDerWaalsContact CB-OD2 3.26Å; T164-D167 WeakPolarHBondContact CB-OD2 3.17Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.26Å; T164-D167 PolarHBondContact N-OD2 3.38Å; T164-D167 VanDerWaalsContact N-OD2 3.08Å; T164-D167 WeakPolarHBondContact O-CB 3.35Å; T164-D167 PolarHBondContact O-N 3.46Å; T164-D167 VanDerWaalsContact O-N 3.13Å; T164-D167 PolarHBondContact OG1-N 3.42Å; T164-D167 PolarHBondContact OG1-OD2 2.82Å; Y165-D167 VanDerWaalsContact C-N 3.33Å; D167-W170 PolarHBondContact O-N 3.49Å; D167-W171 WeakPolarHBondContact O-CB 3.45Å; D167-W171 PolarHBondContact O-N 2.95Å; D167-K184 HydrophobicContact CB-CD 4.19Å; D167-K184 VanDerWaalsContact CG-NZ 3.27Å; D167-K184 IonicContact OD1-NZ 2.79Å; D167-K184 PolarHBondContact OD1-NZ 3.05Å
168A96.1Very high94.5Very high0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-67.2-36.3173.900000112.5S148 Y152 F162 T164 Y165 W171 G172S148-A168 WeakPolarHBondContact O-CB 3.45Å; S148-A168 PolarHBondContact OG-O 3.2Å; Y152-A168 HydrophobicContact CD2-CB 4.39Å; Y152-A168 HydrophobicContact CG-CB 4.31Å; F162-A168 HydrophobicContact CD1-CB 3.92Å; F162-A168 HydrophobicContact CE1-CB 4.36Å; T164-A168 PolarHBondContact O-N 3.47Å; Y165-A168 PolarHBondContact O-N 3.17Å; A168-W171 PolarHBondContact O-N 2.73Å; A168-G172 PolarHBondContact O-N 2.87Å
169L97.2Very high95Very high63 Ų6354.7 Ų54.733%0.3328%0.283SS..Hα-helixtrans-65.9-40.6174.3-166.390.7000111.7L144 I145 Y165 A166 G172 L173L144-L169 HydrophobicContact CD2-CD1 3.55Å; L144-L169 HydrophobicContact CD2-CG 4.16Å; I145-L169 HydrophobicContact CD1-CD1 3.74Å; Y165-L169 HydrophobicContact CE1-CD1 4.11Å; Y165-L169 WeakPolarHBondContact O-CB 3.35Å; Y165-L169 PolarHBondContact O-N 3Å; A166-L169 PolarHBondContact O-N 3.43Å; L169-G172 PolarHBondContact O-N 3.03Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 PolarHBondContact O-N 3.43Å
170W97.4Very high95.3Very high108 Ų10857 Ų5741%0.40931%0.308SS..Hα-helixtrans-61.2-52.2172.5169.2-104.4000111A166 D167 G172 L173 I174 Y181 D183A166-W170 PolarHBondContact O-N 2.84Å; D167-W170 PolarHBondContact O-N 3.49Å; W170-G172 VanDerWaalsContact C-N 3.31Å; W170-G172 PolarHBondContact O-N 3.46Å; W170-L173 PolarHBondContact O-N 3.47Å; W170-I174 HydrophobicContact CD2-CG1 3.92Å; W170-I174 HydrophobicContact CE3-CD1 4.43Å; W170-I174 HydrophobicContact CE3-CG1 4.17Å; W170-I174 HydrophobicContact CH2-CD1 3.83Å; W170-I174 HydrophobicContact CH2-CG1 4.1Å; W170-I174 HydrophobicContact CZ2-CD1 3.99Å; W170-I174 HydrophobicContact CZ2-CG1 3.82Å; W170-I174 HydrophobicContact CZ3-CD1 4.06Å; W170-I174 HydrophobicContact CZ3-CG1 4.26Å; W170-I174 WeakPolarHBondContact O-CB 3.4Å; W170-I174 WeakPolarHBondContact O-CG1 3.45Å; W170-I174 PolarHBondContact O-N 3.41Å; W170-Y181 AromaticContact CH2-CE2 3.99Å; W170-Y181 HydrophobicContact CH2-CE2 3.99Å; W170-Y181 AromaticContact CZ2-CD2 3.9Å; W170-Y181 HydrophobicContact CZ2-CD2 3.9Å; W170-Y181 AromaticContact CZ2-CE2 3.8Å; W170-Y181 HydrophobicContact CZ2-CE2 3.8Å; W170-D183 PolarHBondContact NE1-OD2 3.32Å
171W96.9Very high95.6Very high20 Ų2056 Ų568%0.07630%0.298CS..Hα-helixtrans-55.2-45.7175.2169.576000112.2V151 F162 D167 A168 I174 T175 K184 P186V151-W171 HydrophobicContact CB-CE3 4.34Å; V151-W171 HydrophobicContact CB-CH2 4.25Å; V151-W171 HydrophobicContact CB-CZ3 3.75Å; V151-W171 HydrophobicContact CG1-CE3 4.14Å; V151-W171 HydrophobicContact CG1-CH2 4.16Å; V151-W171 HydrophobicContact CG1-CZ3 3.85Å; V151-W171 HydrophobicContact CG2-CH2 3.77Å; V151-W171 HydrophobicContact CG2-CZ3 3.68Å; F162-W171 HydrophobicContact CE1-CB 3.82Å; F162-W171 HydrophobicContact CE1-CD2 4.08Å; F162-W171 HydrophobicContact CE1-CE3 4.34Å; F162-W171 AromaticContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CZ-CB 4.24Å; F162-W171 HydrophobicContact CZ-CD2 4.18Å; F162-W171 AromaticContact CZ-CG 3.87Å; F162-W171 HydrophobicContact CZ-CG 3.87Å; D167-W171 WeakPolarHBondContact O-CB 3.45Å; D167-W171 PolarHBondContact O-N 2.95Å; A168-W171 PolarHBondContact O-N 2.73Å; W171-I174 PolarHBondContact O-N 3.15Å; W171-T175 HydrophobicContact CZ2-CG2 4.22Å; W171-T175 PolarHBondContact NE1-OG1 3.31Å; W171-T175 VanDerWaalsContact O-CB 3.24Å; W171-T175 WeakPolarHBondContact O-CB 3.3Å; W171-T175 PolarHBondContact O-N 2.85Å; W171-T175 PolarHBondContact O-OG1 2.95Å; W171-K184 HydrophobicContact CB-CB 4.44Å; W171-P186 HydrophobicContact CZ2-CG 4.22Å
172G96.5Very high95.8Very high1 Ų156.2 Ų56.21%0.0131%0.314CS..Hα-helixtrans-62.1-44.1178.500000112.2A168 L169 W170 T175 L176A168-G172 PolarHBondContact O-N 2.87Å; L169-G172 PolarHBondContact O-N 3.03Å; W170-G172 VanDerWaalsContact C-N 3.31Å; W170-G172 PolarHBondContact O-N 3.46Å; G172-T175 PolarHBondContact O-N 3.1Å; G172-L176 WeakPolarHBondContact O-CB 3.22Å; G172-L176 WeakPolarHBondContact O-CG 3.45Å; G172-L176 PolarHBondContact O-N 3.04Å
173L97.4Very high95.9Very high73 Ų7359.8 Ų59.838%0.38233%0.333SS..Hα-helixtrans-62.6-49.1175.5-177.863.7000111.9L144 L169 W170 T175 T177L144-L173 HydrophobicContact CD1-CB 4.11Å; L144-L173 HydrophobicContact CD1-CD1 3.82Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 PolarHBondContact O-N 3.43Å; W170-L173 PolarHBondContact O-N 3.47Å; L173-T175 VanDerWaalsContact C-N 3.29Å; L173-T175 PolarHBondContact O-N 2.69Å; L173-T177 HydrophobicContact CD1-CG2 3.96Å; L173-T177 WeakPolarHBondContact O-CB 3.35Å; L173-T177 WeakPolarHBondContact O-CG2 3.23Å; L173-T177 PolarHBondContact O-N 3.32Å; L173-T177 PolarHBondContact O-OG1 2.9Å
174I97.1Very high96Very high9 Ų955.3 Ų55.35%0.04631%0.311CS..Hα-helixtrans-65.7-31.4-179.6-67-54000112.2W170 W171 I179 G180 Y181W170-I174 HydrophobicContact CD2-CG1 3.92Å; W170-I174 HydrophobicContact CE3-CD1 4.43Å; W170-I174 HydrophobicContact CE3-CG1 4.17Å; W170-I174 HydrophobicContact CH2-CD1 3.83Å; W170-I174 HydrophobicContact CH2-CG1 4.1Å; W170-I174 HydrophobicContact CZ2-CD1 3.99Å; W170-I174 HydrophobicContact CZ2-CG1 3.82Å; W170-I174 HydrophobicContact CZ3-CD1 4.06Å; W170-I174 HydrophobicContact CZ3-CG1 4.26Å; W170-I174 WeakPolarHBondContact O-CB 3.4Å; W170-I174 WeakPolarHBondContact O-CG1 3.45Å; W170-I174 PolarHBondContact O-N 3.41Å; W171-I174 PolarHBondContact O-N 3.15Å; I174-I179 HydrophobicContact CD1-CB 4.33Å; I174-I179 HydrophobicContact CD1-CD1 4.02Å; I174-I179 HydrophobicContact CD1-CG2 4.29Å; I174-I179 HydrophobicContact CG2-CB 4.16Å; I174-I179 HydrophobicContact CG2-CG2 4.28Å; I174-I179 PolarHBondContact O-N 3.41Å; I174-G180 PolarHBondContact O-N 2.88Å; I174-G180 VanDerWaalsContact O-N 3.09Å; I174-Y181 HydrophobicContact CD1-CD2 3.83Å; I174-Y181 HydrophobicContact CD1-CE2 3.53Å; I174-Y181 HydrophobicContact CG1-CD2 4Å; I174-Y181 HydrophobicContact CG1-CE2 4.2Å; I174-Y181 HydrophobicContact CG2-CD2 3.77Å; I174-Y181 HydrophobicContact CG2-CG 4.23Å
175T96.1Very high96Very high31 Ų3155.6 Ų55.619%0.1931%0.313CS..Hα-helixtrans-76.1-51.3176-58.40000111.7W171 G172 L173 T177 T178W171-T175 HydrophobicContact CZ2-CG2 4.22Å; W171-T175 PolarHBondContact NE1-OG1 3.31Å; W171-T175 VanDerWaalsContact O-CB 3.24Å; W171-T175 WeakPolarHBondContact O-CB 3.3Å; W171-T175 PolarHBondContact O-N 2.85Å; W171-T175 PolarHBondContact O-OG1 2.95Å; G172-T175 PolarHBondContact O-N 3.1Å; L173-T175 VanDerWaalsContact C-N 3.29Å; L173-T175 PolarHBondContact O-N 2.69Å; T175-T177 VanDerWaalsContact C-N 3.31Å; T175-T177 PolarHBondContact O-N 3.23Å; T175-T178 PolarHBondContact O-N 3.28Å
176L95.9Very high96Very high4 Ų452.4 Ų52.42%0.02130%0.302CS..Hα-helixtrans-72.1-23.3-176.9-63.6-169.9000113.6L144 G172 T178 V203 F206L144-L176 HydrophobicContact CB-CD1 3.89Å; L144-L176 HydrophobicContact CG-CD1 4.39Å; G172-L176 WeakPolarHBondContact O-CB 3.22Å; G172-L176 WeakPolarHBondContact O-CG 3.45Å; G172-L176 PolarHBondContact O-N 3.04Å; L176-T178 VanDerWaalsContact C-N 3.26Å; L176-V203 HydrophobicContact CD2-CG2 4.48Å; L176-F206 HydrophobicContact CB-CD2 3.89Å; L176-F206 HydrophobicContact CB-CE2 4Å; L176-F206 HydrophobicContact CB-CG 4.45Å; L176-F206 HydrophobicContact CD1-CD2 4.34Å; L176-F206 HydrophobicContact CD1-CE2 3.95Å; L176-F206 WeakPolarHBondContact O-CB 3.41Å
177T96Very high95.8Very high44 Ų4454.4 Ų54.427%0.2730%0.298SS..THydrogen-bonded Turntrans-83.82.5169.357.70000113.5L173 T175 I179 F206L173-T177 HydrophobicContact CD1-CG2 3.96Å; L173-T177 WeakPolarHBondContact O-CB 3.35Å; L173-T177 WeakPolarHBondContact O-CG2 3.23Å; L173-T177 PolarHBondContact O-N 3.32Å; L173-T177 PolarHBondContact O-OG1 2.9Å; T175-T177 VanDerWaalsContact C-N 3.31Å; T175-T177 PolarHBondContact O-N 3.23Å; T177-I179 PolarHBondContact O-N 2.87Å; T177-I179 WeakPolarHBondContact OG1-CD1 3.06Å; T177-I179 WeakPolarHBondContact OG1-CG1 3.48Å; T177-F206 HydrophobicContact CG2-CD1 3.92Å; T177-F206 HydrophobicContact CG2-CE1 4.13Å
178T96.4Very high95.8Very high103 Ų10354.1 Ų54.163%0.63230%0.298SS*.THydrogen-bonded Turntrans60.321.2-179.561.80000115.6T175 L176 V203T175-T178 PolarHBondContact O-N 3.28Å; L176-T178 VanDerWaalsContact C-N 3.26Å; T178-V203 HydrophobicContact CG2-CB 4.22Å; T178-V203 HydrophobicContact CG2-CG1 3.46Å; T178-V203 VanDerWaalsContact CG2-CG1 3.46Å; T178-V203 HydrophobicContact CG2-CG2 3.66Å
179I96.9Very high95.8Very high87 Ų8763.2 Ų63.245%0.44633%0.333SS..  trans-74.6-44.1177.3-64.5173.7000110.7I174 T177 Y181I174-I179 HydrophobicContact CD1-CB 4.33Å; I174-I179 HydrophobicContact CD1-CD1 4.02Å; I174-I179 HydrophobicContact CD1-CG2 4.29Å; I174-I179 HydrophobicContact CG2-CB 4.16Å; I174-I179 HydrophobicContact CG2-CG2 4.28Å; I174-I179 PolarHBondContact O-N 3.41Å; T177-I179 PolarHBondContact O-N 2.87Å; T177-I179 WeakPolarHBondContact OG1-CD1 3.06Å; T177-I179 WeakPolarHBondContact OG1-CG1 3.48Å; I179-Y181 HydrophobicContact CG2-CD1 3.86Å; I179-Y181 HydrophobicContact CG2-CD2 4.05Å; I179-Y181 HydrophobicContact CG2-CE1 3.56Å; I179-Y181 HydrophobicContact CG2-CE2 3.77Å; I179-Y181 HydrophobicContact CG2-CG 4.09Å; I179-Y181 PolarHBondContact O-N 3.38Å
180G95.3Very high95.7Very high55 Ų5565 Ų6557%0.56734%0.342SS*.  trans57.247.7167.800000116.2I174 G182I174-G180 PolarHBondContact O-N 2.88Å; I174-G180 VanDerWaalsContact O-N 3.09Å; G180-G182 PolarHBondContact O-N 3.34Å; G180-G182 VanDerWaalsContact O-N 3.12Å
181Y95.6Very high95.5Very high150 Ų15059.9 Ų59.959%0.58832%0.323SS*.  trans-55.7-28.1-179.1-68.8-51000114.9W170 I174 I179 D183W170-Y181 AromaticContact CH2-CE2 3.99Å; W170-Y181 HydrophobicContact CH2-CE2 3.99Å; W170-Y181 AromaticContact CZ2-CD2 3.9Å; W170-Y181 HydrophobicContact CZ2-CD2 3.9Å; W170-Y181 AromaticContact CZ2-CE2 3.8Å; W170-Y181 HydrophobicContact CZ2-CE2 3.8Å; I174-Y181 HydrophobicContact CD1-CD2 3.83Å; I174-Y181 HydrophobicContact CD1-CE2 3.53Å; I174-Y181 HydrophobicContact CG1-CD2 4Å; I174-Y181 HydrophobicContact CG1-CE2 4.2Å; I174-Y181 HydrophobicContact CG2-CD2 3.77Å; I174-Y181 HydrophobicContact CG2-CG 4.23Å; I179-Y181 HydrophobicContact CG2-CD1 3.86Å; I179-Y181 HydrophobicContact CG2-CD2 4.05Å; I179-Y181 HydrophobicContact CG2-CE1 3.56Å; I179-Y181 HydrophobicContact CG2-CE2 3.77Å; I179-Y181 HydrophobicContact CG2-CG 4.09Å; I179-Y181 PolarHBondContact O-N 3.38Å; Y181-D183 VanDerWaalsContact C-N 3.28Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.31Å; Y181-D183 PolarHBondContact O-N 2.82Å
182G94Very high95.5Very high56 Ų5664.9 Ų64.958%0.57734%0.342SS*.  trans76.213.1-178.900000114.5G180G180-G182 PolarHBondContact O-N 3.34Å; G180-G182 VanDerWaalsContact O-N 3.12Å
183D94.6Very high95.5Very high76 Ų7669.9 Ų69.941%0.40637%0.368SS..SBendtrans-73.8-28177.861.9-42.6000113.5W170 Y181W170-D183 PolarHBondContact NE1-OD2 3.32Å; Y181-D183 VanDerWaalsContact C-N 3.28Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.31Å; Y181-D183 PolarHBondContact O-N 2.82Å
184K94Very high95.4Very high42 Ų4268.9 Ų68.918%0.18336%0.362CS..SBendtrans-136.9131.9172.8-58.9-172.4176.2-129.90108.7E161 F162 D167 W171E161-K184 HydrophobicContact CB-CB 4.33Å; E161-K184 HydrophobicContact CB-CG 4.23Å; E161-K184 WeakPolarHBondContact O-CD 3.21Å; E161-K184 PolarHBondContact O-NZ 2.68Å; F162-K184 HydrophobicContact CZ-CB 4.35Å; D167-K184 HydrophobicContact CB-CD 4.19Å; D167-K184 VanDerWaalsContact CG-NZ 3.27Å; D167-K184 IonicContact OD1-NZ 2.79Å; D167-K184 PolarHBondContact OD1-NZ 3.05Å; W171-K184 HydrophobicContact CB-CB 4.44Å
185V95Very high95.3Very high68 Ų6868.7 Ų68.741%0.41236%0.363SS..  trans-146.3132-177-175.90000110.1N159 E161 K187N159-V185 PolarHBondContact ND2-O 3.06Å; N159-V185 VanDerWaalsContact ND2-O 3.13Å; E161-V185 PolarHBondContact OE2-N 2.88Å; V185-K187 PolarHBondContact O-N 3.45Å
186P94.7Very high95.3Very high8 Ų869.8 Ų69.85%0.05238%0.375CS..  trans-58.1127175.322.3-32.7000111.4V151 E155 W171 R192V151-P186 HydrophobicContact CG1-CB 4.2Å; E155-P186 VanDerWaalsContact CD-CA 3.4Å; E155-P186 HydrophobicContact CG-CB 3.89Å; E155-P186 WeakPolarHBondContact OE1-CB 3.33Å; E155-P186 VanDerWaalsContact OE2-CA 3.31Å; E155-P186 WeakPolarHBondContact OE2-CA 3.31Å; W171-P186 HydrophobicContact CZ2-CG 4.22Å; P186-R192 HydrophobicContact CB-CG 4.25Å; P186-R192 HydrophobicContact CG-CG 4.17Å; P186-R192 VanDerWaalsContact O-CG 3.26Å; P186-R192 WeakPolarHBondContact O-CG 3.43Å; P186-R192 PolarHBondContact O-NE 3.29Å
187K93.7Very high95.3Very high105 Ų10571.5 Ų71.546%0.45739%0.39SS..  trans-92.3-32.4-178.4-71.9174.7-170.7157.40111.7E155 N159 E161 V185 R192E155-K187 VanDerWaalsContact CD-N 3.33Å; E155-K187 PolarHBondContact OE1-N 2.95Å; E155-K187 PolarHBondContact OE2-N 3.11Å; N159-K187 HydrophobicContact CB-CD 4.2Å; N159-K187 WeakPolarHBondContact OD1-CE 3.33Å; N159-K187 PolarHBondContact OD1-NZ 3.39Å; E161-K187 VanDerWaalsContact CD-NZ 3.31Å; E161-K187 WeakPolarHBondContact OE1-CE 3.48Å; E161-K187 IonicContact OE1-NZ 3.68Å; E161-K187 PolarHBondContact OE1-NZ 2.89Å; E161-K187 IonicContact OE2-NZ 3.45Å; V185-K187 PolarHBondContact O-N 3.45Å; K187-R192 PolarHBondContact O-NE 3.17Å
188T95.8Very high95.2Very high34 Ų3471.4 Ų71.421%0.20939%0.386CS..SBendtrans-72.7152.5178.473.20000111.6V154 E155 S158 N190 G191 R192V154-T188 WeakPolarHBondContact CG1-OG1 3.37Å; E155-T188 VanDerWaalsContact OE1-CB 3.27Å; E155-T188 WeakPolarHBondContact OE1-CB 3.4Å; E155-T188 WeakPolarHBondContact OE1-CG2 3.07Å; E155-T188 PolarHBondContact OE1-N 3.41Å; E155-T188 PolarHBondContact OE1-OG1 3.34Å; S158-T188 WeakPolarHBondContact OG-CG2 3.39Å; T188-N190 VanDerWaalsContact C-N 3.28Å; T188-N190 PolarHBondContact O-N 3.26Å; T188-G191 PolarHBondContact OG1-N 3.36Å; T188-R192 WeakPolarHBondContact O-CB 3.43Å; T188-R192 WeakPolarHBondContact O-CD 3.4Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 2.86Å
189W94.9Very high95.2Very high191 Ų19168.2 Ų68.272%0.72337%0.368SS*.Hα-helixtrans-61-38.7172.1-179.3-102.9000112.2R192 L193W189-R192 PolarHBondContact O-N 3.07Å; W189-L193 WeakPolarHBondContact O-CB 3.33Å; W189-L193 PolarHBondContact O-N 3.14Å
190N94.5Very high95Very high100 Ų10071.1 Ų71.154%0.53538%0.381SS..Hα-helixtrans-69.6-44.3-178-65.7-9.3000111.7V154 T188 R192 L193 L194V154-N190 HydrophobicContact CG1-CB 3.71Å; T188-N190 VanDerWaalsContact C-N 3.28Å; T188-N190 PolarHBondContact O-N 3.26Å; N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 3.31Å; N190-L193 PolarHBondContact O-N 3.05Å; N190-L194 WeakPolarHBondContact O-CB 3.4Å; N190-L194 WeakPolarHBondContact O-CG 3.32Å; N190-L194 PolarHBondContact O-N 3.46Å
191G94.8Very high95Very high0 Ų072.8 Ų72.80%038%0.376CS..Hα-helixtrans-63.3-37.6174.500000112.2T188 G195T188-G191 PolarHBondContact OG1-N 3.36Å; G191-G195 PolarHBondContact O-N 3.4Å
192R95.6Very high94.9Very high126 Ų12665.6 Ų65.648%0.47535%0.348SS..Hα-helixtrans-65.4-43.5172.5-72.3168.9-178.8179.80.7112.8P186 K187 T188 W189 N190 G195 A196P186-R192 HydrophobicContact CB-CG 4.25Å; P186-R192 HydrophobicContact CG-CG 4.17Å; P186-R192 VanDerWaalsContact O-CG 3.26Å; P186-R192 WeakPolarHBondContact O-CG 3.43Å; P186-R192 PolarHBondContact O-NE 3.29Å; K187-R192 PolarHBondContact O-NE 3.17Å; T188-R192 WeakPolarHBondContact O-CB 3.43Å; T188-R192 WeakPolarHBondContact O-CD 3.4Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 2.86Å; W189-R192 PolarHBondContact O-N 3.07Å; N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 3.31Å; R192-G195 PolarHBondContact O-N 3.23Å; R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 2.91Å
193L97.1Very high95.1Very high105 Ų10565 Ų6555%0.5533%0.333SS..Hα-helixtrans-63.9-45.9178.2-178.463.2000111.5W189 N190 A197W189-L193 WeakPolarHBondContact O-CB 3.33Å; W189-L193 PolarHBondContact O-N 3.14Å; N190-L193 PolarHBondContact O-N 3.05Å; L193-A197 WeakPolarHBondContact O-CB 3.24Å; L193-A197 PolarHBondContact O-N 2.96Å
194L95.4Very high95.1Very high52 Ų5264 Ų6427%0.27234%0.336SS..Hα-helixtrans-61.7-48.8173.7-71169.2000111.2L150 V151 V154 N190 A196 A197 F198L150-L194 HydrophobicContact CB-CD1 4.41Å; V151-L194 HydrophobicContact CG2-CB 4.08Å; V154-L194 HydrophobicContact CG2-CD1 3.85Å; N190-L194 WeakPolarHBondContact O-CB 3.4Å; N190-L194 WeakPolarHBondContact O-CG 3.32Å; N190-L194 PolarHBondContact O-N 3.46Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.48Å; L194-A197 PolarHBondContact O-N 3.23Å; L194-F198 HydrophobicContact CD2-CE2 4.37Å; L194-F198 WeakPolarHBondContact O-CD2 3.23Å; L194-F198 PolarHBondContact O-N 2.98Å
195G94.7Very high95.2Very high6 Ų664.8 Ų64.86%0.06234%0.339CS..Hα-helixtrans-60.3-40.1179.300000113.2G191 R192 S199G191-G195 PolarHBondContact O-N 3.4Å; R192-G195 PolarHBondContact O-N 3.23Å; G195-S199 WeakPolarHBondContact O-CB 3.31Å; G195-S199 PolarHBondContact O-N 3.35Å
196A96.2Very high95.2Very high53 Ų5364.9 Ų64.944%0.43833%0.334SS..Hα-helixtrans-64.9-46.4174.200000112.1R192 L194 S199 M200R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 2.91Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.48Å; A196-S199 PolarHBondContact O-N 3.14Å; A196-M200 WeakPolarHBondContact O-CG 3.33Å; A196-M200 PolarHBondContact O-N 2.98Å; A196-M200 VanDerWaalsContact O-N 3.14Å
197A95.6Very high95.3Very high41 Ų4167.2 Ų67.234%0.33935%0.354SS..Hα-helixtrans-62.5-47.1178.900000112.3L193 L194 I201L193-A197 WeakPolarHBondContact O-CB 3.24Å; L193-A197 PolarHBondContact O-N 2.96Å; L194-A197 PolarHBondContact O-N 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.67Å
198F95.2Very high95.4Very high42 Ų4266 Ų6618%0.18435%0.352CS..Hα-helixtrans-71.2-31.6177.4-81-72.9000113.2L146 A147 L150 L194 I201 G202L146-F198 HydrophobicContact CB-CE1 4.25Å; A147-F198 HydrophobicContact CB-CB 3.56Å; A147-F198 HydrophobicContact CB-CD1 3.88Å; A147-F198 HydrophobicContact CB-CD2 4.23Å; A147-F198 HydrophobicContact CB-CG 3.62Å; L150-F198 HydrophobicContact CD1-CE2 3.54Å; L150-F198 HydrophobicContact CD1-CZ 3.57Å; L194-F198 HydrophobicContact CD2-CE2 4.37Å; L194-F198 WeakPolarHBondContact O-CD2 3.23Å; L194-F198 PolarHBondContact O-N 2.98Å; F198-I201 PolarHBondContact O-N 2.83Å; F198-G202 PolarHBondContact O-N 3.37Å
199S95.1Very high95.4Very high35 Ų3565.3 Ų65.325%0.24535%0.348CS..Hα-helixtrans-61.8-49.5174.5-178.50000111.5G195 A196 I201 G202 V203G195-S199 WeakPolarHBondContact O-CB 3.31Å; G195-S199 PolarHBondContact O-N 3.35Å; A196-S199 PolarHBondContact O-N 3.14Å; S199-I201 PolarHBondContact O-N 2.7Å; S199-G202 PolarHBondContact O-N 2.96Å; S199-V203 VanDerWaalsContact O-CB 3.25Å; S199-V203 WeakPolarHBondContact O-CB 3.03Å; S199-V203 WeakPolarHBondContact O-CG2 3.21Å; S199-V203 PolarHBondContact O-N 2.71Å
200M94.3Very high95.4Very high148 Ų14859.9 Ų59.973%0.72934%0.344SS*.Hα-helixtrans-55.5-38177.7-71.4-172.3-65.200113.2A196A196-M200 WeakPolarHBondContact O-CG 3.33Å; A196-M200 PolarHBondContact O-N 2.98Å; A196-M200 VanDerWaalsContact O-N 3.14Å
201I94.3Very high95.5Very high90 Ų9057.3 Ų57.346%0.46234%0.341SS..Hα-helixtrans-79.8-53.3-179.4-61.3169000110.7A197 F198 S199 A204 F205A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.67Å; F198-I201 PolarHBondContact O-N 2.83Å; S199-I201 PolarHBondContact O-N 2.7Å; I201-A204 WeakPolarHBondContact O-CB 3.39Å; I201-A204 PolarHBondContact O-N 2.93Å; I201-F205 HydrophobicContact CG2-CD2 4.12Å; I201-F205 HydrophobicContact CG2-CE2 3.97Å; I201-F205 WeakPolarHBondContact O-CD2 3.31Å; I201-F205 PolarHBondContact O-N 2.67Å
202G94.1Very high95.5Very high0 Ų058.4 Ų58.40%035%0.347CS..Hα-helixtrans-68.6-38.4-171.700000113.4F198 S199 A204 F205 F206F198-G202 PolarHBondContact O-N 3.37Å; S199-G202 PolarHBondContact O-N 2.96Å; G202-A204 VanDerWaalsContact C-N 3.25Å; G202-A204 PolarHBondContact O-N 2.89Å; G202-F205 PolarHBondContact O-N 3.42Å; G202-F205 VanDerWaalsContact O-N 3.11Å; G202-F206 WeakPolarHBondContact O-CD2 3.42Å; G202-F206 PolarHBondContact O-N 2.79Å
203V96.5Very high95.5Very high42 Ų4254.2 Ų54.226%0.25533%0.334SS..Hα-helixtrans-58.6-38.9176.5169.10000111.2L176 T178 S199 F206 A207L176-V203 HydrophobicContact CD2-CG2 4.48Å; T178-V203 HydrophobicContact CG2-CB 4.22Å; T178-V203 HydrophobicContact CG2-CG1 3.46Å; T178-V203 VanDerWaalsContact CG2-CG1 3.46Å; T178-V203 HydrophobicContact CG2-CG2 3.66Å; S199-V203 VanDerWaalsContact O-CB 3.25Å; S199-V203 WeakPolarHBondContact O-CB 3.03Å; S199-V203 WeakPolarHBondContact O-CG2 3.21Å; S199-V203 PolarHBondContact O-N 2.71Å; V203-F206 PolarHBondContact O-N 2.73Å; V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 2.82Å
204A95.6Very high95.4Very high57 Ų5751.2 Ų51.247%0.47133%0.328SS..Hα-helixtrans-61.6-47175.500000111.7I201 G202 A207 L208I201-A204 WeakPolarHBondContact O-CB 3.39Å; I201-A204 PolarHBondContact O-N 2.93Å; G202-A204 VanDerWaalsContact C-N 3.25Å; G202-A204 PolarHBondContact O-N 2.89Å; A204-A207 PolarHBondContact O-N 2.64Å; A204-L208 WeakPolarHBondContact O-CG 3.35Å; A204-L208 PolarHBondContact O-N 3.33Å; A204-L208 VanDerWaalsContact O-N 3.15Å
205F95.6Very high95.3Very high57 Ų5751.6 Ų51.625%0.2534%0.335CS..Hα-helixtrans-66.5-35.8178-75.8-74.1000113.5I139 I201 G202 A207 L208 P209I139-F205 HydrophobicContact CB-CD1 3.92Å; I139-F205 HydrophobicContact CB-CE1 3.98Å; I139-F205 HydrophobicContact CB-CG 4.4Å; I139-F205 HydrophobicContact CB-CZ 4.49Å; I139-F205 HydrophobicContact CD1-CE1 3.91Å; I139-F205 HydrophobicContact CG2-CD1 3.71Å; I139-F205 HydrophobicContact CG2-CD2 3.91Å; I139-F205 HydrophobicContact CG2-CE1 3.55Å; I139-F205 HydrophobicContact CG2-CE2 3.75Å; I139-F205 HydrophobicContact CG2-CG 3.91Å; I139-F205 HydrophobicContact CG2-CZ 3.58Å; I201-F205 HydrophobicContact CG2-CD2 4.12Å; I201-F205 HydrophobicContact CG2-CE2 3.97Å; I201-F205 WeakPolarHBondContact O-CD2 3.31Å; I201-F205 PolarHBondContact O-N 2.67Å; G202-F205 PolarHBondContact O-N 3.42Å; G202-F205 VanDerWaalsContact O-N 3.11Å; F205-A207 VanDerWaalsContact C-N 3.31Å; F205-L208 HydrophobicContact CD1-CD1 3.82Å; F205-L208 HydrophobicContact CE1-CD1 4.18Å; F205-L208 PolarHBondContact O-N 3.18Å; F205-P209 VanDerWaalsContact O-CD 3.27Å; F205-P209 WeakPolarHBondContact O-CD 3.48Å
206F95.3Very high95.2Very high70 Ų7051.4 Ų51.431%0.30733%0.333SS..Hα-helixtrans-70.8-24.8174.3-88.2-96.2000113.1G140 L144 L176 T177 G202 V203G140-F206 WeakPolarHBondContact O-CE2 3.38Å; L144-F206 HydrophobicContact CB-CE2 4.33Å; L144-F206 HydrophobicContact CB-CZ 4.41Å; L144-F206 HydrophobicContact CD1-CE2 4.31Å; L144-F206 HydrophobicContact CD1-CZ 3.72Å; L176-F206 HydrophobicContact CB-CD2 3.89Å; L176-F206 HydrophobicContact CB-CE2 4Å; L176-F206 HydrophobicContact CB-CG 4.45Å; L176-F206 HydrophobicContact CD1-CD2 4.34Å; L176-F206 HydrophobicContact CD1-CE2 3.95Å; L176-F206 WeakPolarHBondContact O-CB 3.41Å; T177-F206 HydrophobicContact CG2-CD1 3.92Å; T177-F206 HydrophobicContact CG2-CE1 4.13Å; G202-F206 WeakPolarHBondContact O-CD2 3.42Å; G202-F206 PolarHBondContact O-N 2.79Å; V203-F206 PolarHBondContact O-N 2.73Å
207A96.2Very high95Very high57 Ų5752 Ų5247%0.47133%0.326SS..Hα-helixtrans-79.1-29.8173.800000113.8V203 A204 F205 A210 G211V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 2.82Å; A204-A207 PolarHBondContact O-N 2.64Å; F205-A207 VanDerWaalsContact C-N 3.31Å; A207-A210 PolarHBondContact O-N 2.99Å; A207-A210 VanDerWaalsContact O-N 3.09Å; A207-G211 PolarHBondContact O-N 3.11Å
208L96Very high94.7Very high81 Ų8153 Ų5342%0.42433%0.334SS..Hα-helixtrans-52.3-44.5-176.7-76.6177.9000114.6A136 A204 F205 A210 G211 I212A136-L208 HydrophobicContact CB-CB 4.02Å; A136-L208 HydrophobicContact CB-CD1 4.36Å; A204-L208 WeakPolarHBondContact O-CG 3.35Å; A204-L208 PolarHBondContact O-N 3.33Å; A204-L208 VanDerWaalsContact O-N 3.15Å; F205-L208 HydrophobicContact CD1-CD1 3.82Å; F205-L208 HydrophobicContact CE1-CD1 4.18Å; F205-L208 PolarHBondContact O-N 3.18Å; L208-A210 VanDerWaalsContact C-N 3.26Å; L208-A210 PolarHBondContact O-N 2.91Å; L208-G211 PolarHBondContact O-N 3.48Å; L208-G211 VanDerWaalsContact O-N 3.07Å; L208-I212 HydrophobicContact CB-CD1 4.2Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.41Å; L208-I212 PolarHBondContact O-N 2.94Å
209P95.7Very high94.1Very high19 Ų1955.8 Ų55.812%0.12335%0.35CS..Hα-helixtrans-54.5-37177.1-30.537.8000114.4L133 A136 F205 L213L133-P209 HydrophobicContact CD1-CB 3.79Å; L133-P209 HydrophobicContact CD1-CG 4.43Å; A136-P209 HydrophobicContact CB-CG 4.31Å; F205-P209 VanDerWaalsContact O-CD 3.27Å; F205-P209 WeakPolarHBondContact O-CD 3.48Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 VanDerWaalsContact O-CG 3.25Å; P209-L213 WeakPolarHBondContact O-CG 3.3Å; P209-L213 PolarHBondContact O-N 3.34Å; P209-L213 VanDerWaalsContact O-N 3.12Å
210A95.5Very high93.5Very high76 Ų7656.8 Ų56.863%0.62835%0.35SS*.Hα-helixtrans-70.3-41176.900000111.5A207 L208 G214A207-A210 PolarHBondContact O-N 2.99Å; A207-A210 VanDerWaalsContact O-N 3.09Å; L208-A210 VanDerWaalsContact C-N 3.26Å; L208-A210 PolarHBondContact O-N 2.91Å; A210-G214 PolarHBondContact O-N 3.36Å
211G95.9Very high92.9Very high46 Ų4654.3 Ų54.347%0.47434%0.343SS..Hα-helixtrans-64-47.3175.900000113.2A207 L208 G214 S215A207-G211 PolarHBondContact O-N 3.11Å; L208-G211 PolarHBondContact O-N 3.48Å; L208-G211 VanDerWaalsContact O-N 3.07Å; G211-G214 PolarHBondContact O-N 3.24Å; G211-S215 PolarHBondContact O-N 3.09Å; G211-S215 PolarHBondContact O-OG 3.25Å
212I95.5Very high92Very high24 Ų2456.5 Ų56.512%0.12335%0.351CS..Hα-helixtrans-62.5-44.4179.4-66161000111H129 E132 A136 L208 S215 G216H129-I212 HydrophobicContact CB-CG2 3.65Å; E132-I212 HydrophobicContact CB-CD1 4.12Å; E132-I212 HydrophobicContact CB-CG2 4.28Å; A136-I212 HydrophobicContact CB-CD1 4.4Å; L208-I212 HydrophobicContact CB-CD1 4.2Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.41Å; L208-I212 PolarHBondContact O-N 2.94Å; I212-S215 PolarHBondContact O-OG 3.21Å; I212-G216 PolarHBondContact O-N 2.89Å
213L95.6Very high90.9Very high38 Ų3859.1 Ų59.120%0.19936%0.364CS..Hα-helixtrans-68.8-38.8176.3-66.8176.5000111.6V125 V126 L133 P209 G216 F217V125-L213 HydrophobicContact CG1-CD2 3.89Å; V126-L213 HydrophobicContact CG2-CD2 3.74Å; L133-L213 HydrophobicContact CD1-CG 4.44Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 VanDerWaalsContact O-CG 3.25Å; P209-L213 WeakPolarHBondContact O-CG 3.3Å; P209-L213 PolarHBondContact O-N 3.34Å; P209-L213 VanDerWaalsContact O-N 3.12Å; L213-G216 PolarHBondContact O-N 3.2Å; L213-F217 WeakPolarHBondContact O-CB 3.46Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 3.19Å
214G95.2Very high89.5Confident42 Ų4262 Ų6243%0.43337%0.374SS..Hα-helixtrans-60.5-49.5176.400000113.1A210 G211 F217 A218A210-G214 PolarHBondContact O-N 3.36Å; G211-G214 PolarHBondContact O-N 3.24Å; G214-F217 PolarHBondContact O-N 3.39Å; G214-A218 PolarHBondContact O-N 3.39Å
215S93.8Very high88Confident59 Ų5964.9 Ų64.941%0.41338%0.378SS..Hα-helixtrans-66.7-41.5176640000111.8G211 I212 F217 A218 L219G211-S215 PolarHBondContact O-N 3.09Å; G211-S215 PolarHBondContact O-OG 3.25Å; I212-S215 PolarHBondContact O-OG 3.21Å; S215-F217 VanDerWaalsContact C-N 3.34Å; S215-F217 PolarHBondContact O-N 3.07Å; S215-A218 PolarHBondContact O-N 3.09Å; S215-A218 VanDerWaalsContact O-N 3.15Å; S215-L219 WeakPolarHBondContact O-CB 3.39Å; S215-L219 WeakPolarHBondContact O-CG 3.27Å; S215-L219 PolarHBondContact O-N 3.25Å
216G91.6Very high86.3Confident3 Ų369.8 Ų69.83%0.03140%0.395CS..Hα-helixtrans-59.6-39.2174.800000113.3I212 L213 K220I212-G216 PolarHBondContact O-N 2.89Å; L213-G216 PolarHBondContact O-N 3.2Å; G216-K220 WeakPolarHBondContact O-CB 3.36Å; G216-K220 PolarHBondContact O-N 2.95Å
217F92.1Very high84.7Confident66 Ų6670.1 Ų70.129%0.28940%0.397SS..Hα-helixtrans-66.9-45.1171.2-80.3-61.2000112.3L121 L122 V125 L213 G214 S215 K220 V221L121-F217 HydrophobicContact CD2-CD1 4.21Å; L121-F217 HydrophobicContact CD2-CE1 4Å; L121-F217 HydrophobicContact CG-CD1 4.37Å; L121-F217 HydrophobicContact CG-CE1 3.99Å; L122-F217 HydrophobicContact CB-CZ 4.23Å; L122-F217 HydrophobicContact CD1-CE2 4.22Å; L122-F217 HydrophobicContact CD1-CZ 3.78Å; V125-F217 HydrophobicContact CB-CE1 4.46Å; V125-F217 HydrophobicContact CG2-CD1 3.77Å; V125-F217 HydrophobicContact CG2-CE1 3.85Å; V125-F217 HydrophobicContact CG2-CG 4.32Å; V125-F217 HydrophobicContact CG2-CZ 4.47Å; L213-F217 WeakPolarHBondContact O-CB 3.46Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 3.19Å; G214-F217 PolarHBondContact O-N 3.39Å; S215-F217 VanDerWaalsContact C-N 3.34Å; S215-F217 PolarHBondContact O-N 3.07Å; F217-K220 PolarHBondContact O-N 3.32Å; F217-V221 WeakPolarHBondContact O-CG2 3.41Å; F217-V221 PolarHBondContact O-N 3.19Å
218A88.9Confident82.9Confident61 Ų6173.5 Ų73.550%0.50440%0.401SS..Hα-helixtrans-60.5-49.8179.400000112G214 S215 K220 V221 Q222G214-A218 PolarHBondContact O-N 3.39Å; S215-A218 PolarHBondContact O-N 3.09Å; S215-A218 VanDerWaalsContact O-N 3.15Å; A218-K220 VanDerWaalsContact C-N 3.32Å; A218-K220 PolarHBondContact O-N 3.32Å; A218-V221 PolarHBondContact O-N 2.95Å; A218-Q222 PolarHBondContact O-N 2.84Å
219L83.9Confident81Confident100 Ų10072.3 Ų72.352%0.52439%0.393SS..Hα-helixtrans-60.3-40.5175.5-69.6171.4000111.6S215 V221 Q222 E223S215-L219 WeakPolarHBondContact O-CB 3.39Å; S215-L219 WeakPolarHBondContact O-CG 3.27Å; S215-L219 PolarHBondContact O-N 3.25Å; L219-V221 PolarHBondContact O-N 3.42Å; L219-Q222 PolarHBondContact O-N 2.92Å; L219-E223 VanDerWaalsContact O-CB 3.3Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.09Å
220K82Confident79.2Confident57 Ų5776.9 Ų76.925%0.24841%0.411CS..Hα-helixtrans-69.5-31.4177.4-160.9175.7-164.781.40112.7L121 S124 V125 G216 F217 A218 Q224L121-K220 HydrophobicContact CD1-CD 3.82Å; L121-K220 HydrophobicContact CD1-CG 4.46Å; S124-K220 WeakPolarHBondContact OG-CE 3.39Å; S124-K220 PolarHBondContact OG-NZ 3.1Å; V125-K220 HydrophobicContact CG2-CB 4.46Å; V125-K220 HydrophobicContact CG2-CD 3.51Å; G216-K220 WeakPolarHBondContact O-CB 3.36Å; G216-K220 PolarHBondContact O-N 2.95Å; F217-K220 PolarHBondContact O-N 3.32Å; A218-K220 VanDerWaalsContact C-N 3.32Å; A218-K220 PolarHBondContact O-N 3.32Å; K220-Q224 VanDerWaalsContact O-CB 3.31Å; K220-Q224 WeakPolarHBondContact O-CB 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.29Å; K220-Q224 PolarHBondContact O-N 3.33Å
221V80.8Confident77.7Confident95 Ų9578.8 Ų78.858%0.57641%0.407SS*.Hα-helixtrans-71.1-40.3172.5168.80000111.3F217 A218 L219 Q224 H225F217-V221 WeakPolarHBondContact O-CG2 3.41Å; F217-V221 PolarHBondContact O-N 3.19Å; A218-V221 PolarHBondContact O-N 2.95Å; L219-V221 PolarHBondContact O-N 3.42Å; V221-Q224 PolarHBondContact O-N 3.16Å; V221-H225 PolarHBondContact O-N 3.48Å
222Q75.9Confident76.2Confident136 Ų13682.3 Ų82.364%0.63641%0.41SS*.Hα-helixtrans-62.7-43.8172.9-171.4177.96.900111.4A218 L219 H225 R226A218-Q222 PolarHBondContact O-N 2.84Å; L219-Q222 PolarHBondContact O-N 2.92Å; Q222-H225 VanDerWaalsContact O-CB 3.29Å; Q222-H225 WeakPolarHBondContact O-CB 3.22Å; Q222-H225 PolarHBondContact O-N 3.42Å; Q222-H225 VanDerWaalsContact O-N 3.14Å; Q222-R226 PolarHBondContact O-N 3.33Å
223E71.3Confident75Confident55 Ų5582.4 Ų82.426%0.25741%0.408SS..Hα-helixtrans-66.5-37.6174.5178.954.6-155.300112.1L219 H225 R226 Q227L219-E223 VanDerWaalsContact O-CB 3.3Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.09Å; E223-H225 VanDerWaalsContact C-N 3.27Å; E223-H225 PolarHBondContact O-N 2.99Å; E223-R226 CarbonylContact O-C 3.53Å; E223-R226 WeakPolarHBondContact O-CA 3.49Å; E223-R226 WeakPolarHBondContact O-CB 3.09Å; E223-R226 PolarHBondContact O-N 3.29Å; E223-R226 VanDerWaalsContact O-N 3.14Å; E223-R226 IonicContact OE1-NE 2.7Å; E223-R226 IonicContact OE1-NH2 3.92Å; E223-R226 PolarHBondContact OE1-NH2 3.45Å; E223-R226 IonicContact OE2-CZ 3.94Å; E223-R226 IonicContact OE2-NE 2.83Å; E223-R226 PolarHBondContact OE2-NE 3.11Å; E223-R226 IonicContact OE2-NH2 3.97Å; E223-R226 PolarHBondContact OE2-NH2 3.22Å; E223-Q227 WeakPolarHBondContact O-CB 3.38Å; E223-Q227 VanDerWaalsContact O-CG 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.43Å; E223-Q227 PolarHBondContact O-N 3.48Å; E223-Q227 PolarHBondContact OE1-NE2 3.25Å
224Q67.1Low74.3Confident103 Ų10388 Ų8848%0.48143%0.427SS..Hα-helixtrans-62.1-34.1170.7-73.7-96.1-86.300111.9K220 V221 Q227 K228K220-Q224 VanDerWaalsContact O-CB 3.31Å; K220-Q224 WeakPolarHBondContact O-CB 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.29Å; K220-Q224 PolarHBondContact O-N 3.33Å; V221-Q224 PolarHBondContact O-N 3.16Å; Q224-Q227 PolarHBondContact O-N 3.07Å; Q224-K228 PolarHBondContact O-N 2.9Å; Q224-K228 VanDerWaalsContact O-N 3.14Å
225H64.9Low73.6Confident117 Ų11791.7 Ų91.754%0.54244%0.437SS..Hα-helixtrans-64.2-45171.6-163-90.8000111.2V221 Q222 E223 Q227 K228V221-H225 PolarHBondContact O-N 3.48Å; Q222-H225 VanDerWaalsContact O-CB 3.29Å; Q222-H225 WeakPolarHBondContact O-CB 3.22Å; Q222-H225 PolarHBondContact O-N 3.42Å; Q222-H225 VanDerWaalsContact O-N 3.14Å; E223-H225 VanDerWaalsContact C-N 3.27Å; E223-H225 PolarHBondContact O-N 2.99Å; H225-Q227 VanDerWaalsContact C-N 3.29Å; H225-Q227 PolarHBondContact O-N 3.08Å; H225-K228 WeakPolarHBondContact O-CB 3.4Å; H225-K228 PolarHBondContact O-N 2.79Å; H225-K228 VanDerWaalsContact O-N 3.17Å
226R58.9Low73.2Confident161 Ų16190.8 Ų90.861%0.60843%0.429SS*.Hα-helixtrans-60.2-38172.4-162.816668.7146.41.2111.6Q222 E223 K228 H229Q222-R226 PolarHBondContact O-N 3.33Å; E223-R226 CarbonylContact O-C 3.53Å; E223-R226 WeakPolarHBondContact O-CA 3.49Å; E223-R226 WeakPolarHBondContact O-CB 3.09Å; E223-R226 PolarHBondContact O-N 3.29Å; E223-R226 VanDerWaalsContact O-N 3.14Å; E223-R226 IonicContact OE1-NE 2.7Å; E223-R226 IonicContact OE1-NH2 3.92Å; E223-R226 PolarHBondContact OE1-NH2 3.45Å; E223-R226 IonicContact OE2-CZ 3.94Å; E223-R226 IonicContact OE2-NE 2.83Å; E223-R226 PolarHBondContact OE2-NE 3.11Å; E223-R226 IonicContact OE2-NH2 3.97Å; E223-R226 PolarHBondContact OE2-NH2 3.22Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 PolarHBondContact O-N 3.06Å; R226-H229 WeakPolarHBondContact O-CB 3.02Å; R226-H229 PolarHBondContact O-N 2.95Å
227Q61.2Low73.1Confident76 Ų7691.9 Ų91.936%0.35544%0.439SS..Hα-helixtrans-71.5-14.4177.3-70.4169.95.400114.5E223 Q224 H225 H229 F230 E231E223-Q227 WeakPolarHBondContact O-CB 3.38Å; E223-Q227 VanDerWaalsContact O-CG 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.43Å; E223-Q227 PolarHBondContact O-N 3.48Å; E223-Q227 PolarHBondContact OE1-NE2 3.25Å; Q224-Q227 PolarHBondContact O-N 3.07Å; H225-Q227 VanDerWaalsContact C-N 3.29Å; H225-Q227 PolarHBondContact O-N 3.08Å; Q227-H229 PolarHBondContact O-N 2.8Å; Q227-F230 WeakPolarHBondContact O-CA 3.43Å; Q227-F230 VanDerWaalsContact O-CB 3.31Å; Q227-F230 WeakPolarHBondContact O-CB 3.43Å; Q227-F230 PolarHBondContact O-N 2.87Å; Q227-E231 PolarHBondContact O-N 3.33Å
228K59Low73Confident129 Ų12990.9 Ų90.956%0.56144%0.442SS*.Hα-helixtrans-61.8-22.3164.4-66.1179.5-177.7176.90111.9Q224 H225 R226 F230 E231Q224-K228 PolarHBondContact O-N 2.9Å; Q224-K228 VanDerWaalsContact O-N 3.14Å; H225-K228 WeakPolarHBondContact O-CB 3.4Å; H225-K228 PolarHBondContact O-N 2.79Å; H225-K228 VanDerWaalsContact O-N 3.17Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 PolarHBondContact O-N 3.06Å; K228-F230 VanDerWaalsContact C-N 3.32Å; K228-E231 PolarHBondContact O-N 3.32Å
229H57Low73.1Confident56 Ų5689.3 Ų89.326%0.25943%0.432SS..Hα-helixtrans-75.3-19.9170.5-63.6-132.4000112.3R226 Q227 K232 Y424R226-H229 WeakPolarHBondContact O-CB 3.02Å; R226-H229 PolarHBondContact O-N 2.95Å; Q227-H229 PolarHBondContact O-N 2.8Å; H229-K232 WeakPolarHBondContact O-CB 3.48Å; H229-Y424 HydrophobicContact CB-CD2 3.96Å; H229-Y424 HydrophobicContact CB-CE2 3.77Å; H229-Y424 AromaticContact CG-CE2 3.81Å; H229-Y424 AromaticContact ND1-CD2 3.38Å; H229-Y424 WeakPolarHBondContact ND1-CD2 3.31Å; H229-Y424 AromaticContact ND1-CE2 3.09Å; H229-Y424 WeakPolarHBondContact ND1-CE2 3.31Å; H229-Y424 AromaticContact ND1-CZ 3.59Å
230F57.1Low73.5Confident114 Ų11486 Ų8650%0.541%0.414SS..Hα-helixtrans-73.8-33169.6-88-105.6000112.5Q227 K228 K232 R233Q227-F230 WeakPolarHBondContact O-CA 3.43Å; Q227-F230 VanDerWaalsContact O-CB 3.31Å; Q227-F230 WeakPolarHBondContact O-CB 3.43Å; Q227-F230 PolarHBondContact O-N 2.87Å; K228-F230 VanDerWaalsContact C-N 3.32Å; F230-K232 PolarHBondContact O-N 2.95Å; F230-R233 VanDerWaalsContact CZ-NH1 3.34Å; F230-R233 WeakPolarHBondContact O-CA 3.34Å; F230-R233 WeakPolarHBondContact O-CB 3.06Å; F230-R233 PolarHBondContact O-N 3.14Å
231E63.2Low74.1Confident116 Ų11689.1 Ų89.154%0.54243%0.433SS..Hα-helixtrans-62.4-31.4172.2-76.2-153.6100.700112.4Q227 K228 R233 R234Q227-E231 PolarHBondContact O-N 3.33Å; K228-E231 PolarHBondContact O-N 3.32Å; E231-R233 PolarHBondContact O-N 3.05Å; E231-R234 VanDerWaalsContact O-CB 3.31Å; E231-R234 WeakPolarHBondContact O-CB 3.25Å; E231-R234 PolarHBondContact O-N 3.21Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 IonicContact OE1-CZ 3.6Å; E231-R234 IonicContact OE1-NH1 3.42Å; E231-R234 PolarHBondContact OE1-NH1 3.33Å; E231-R234 IonicContact OE1-NH2 3.65Å
232K65.2Low74.6Confident121 Ų12189.7 Ų89.753%0.52643%0.429SS..Hα-helixtrans-59.1-28.7171.1-58-179.2-177.6173.60112.5H229 F230 R234 P236H229-K232 WeakPolarHBondContact O-CB 3.48Å; F230-K232 PolarHBondContact O-N 2.95Å; K232-R234 VanDerWaalsContact C-N 3.34Å; K232-P236 WeakPolarHBondContact O-CD 3.48Å
233R70.1Confident75.1Confident25 Ų2583.7 Ų83.79%0.09440%0.403CS..Hα-helixtrans-74.1-20.6178.1-49.1174.7-175.8-134.9-24.7113.2F230 E231 N235 P236 A237 S420 L421 R422F230-R233 VanDerWaalsContact CZ-NH1 3.34Å; F230-R233 WeakPolarHBondContact O-CA 3.34Å; F230-R233 WeakPolarHBondContact O-CB 3.06Å; F230-R233 PolarHBondContact O-N 3.14Å; E231-R233 PolarHBondContact O-N 3.05Å; R233-N235 VanDerWaalsContact C-N 3.25Å; R233-N235 PolarHBondContact O-N 3.17Å; R233-P236 WeakPolarHBondContact O-CD 3.43Å; R233-A237 PolarHBondContact O-N 3.4Å; R233-S420 WeakPolarHBondContact CD-O 3.47Å; R233-S420 VanDerWaalsContact CG-O 3.25Å; R233-S420 WeakPolarHBondContact CG-O 3.07Å; R233-S420 PolarHBondContact NE-O 3.39Å; R233-S420 PolarHBondContact NH1-O 3.14Å; R233-S420 PolarHBondContact NH2-O 3.3Å; R233-L421 VanDerWaalsContact NH1-C 3.35Å; R233-L421 PolarHBondContact NH1-O 3.14Å; R233-R422 PolarHBondContact NH2-O 2.99Å
234R80.4Confident76.1Confident155 Ų15582.7 Ų82.759%0.58540%0.404SS*.Hα-helixtrans-65-29.9-179.2-158.4172.572-139.9-2.2112.3E231 K232 A238E231-R234 VanDerWaalsContact O-CB 3.31Å; E231-R234 WeakPolarHBondContact O-CB 3.25Å; E231-R234 PolarHBondContact O-N 3.21Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 IonicContact OE1-CZ 3.6Å; E231-R234 IonicContact OE1-NH1 3.42Å; E231-R234 PolarHBondContact OE1-NH1 3.33Å; E231-R234 IonicContact OE1-NH2 3.65Å; K232-R234 VanDerWaalsContact C-N 3.34Å; R234-A238 WeakPolarHBondContact O-CB 3.36Å; R234-A238 PolarHBondContact O-N 3.14Å
235N82.1Confident77.1Confident121 Ų12184.5 Ų84.565%0.64741%0.406SS*.Hα-helixtrans-73.9-48.9177.1-68.5-11.7000112.5R233 A237 A238 G239R233-N235 VanDerWaalsContact C-N 3.25Å; R233-N235 PolarHBondContact O-N 3.17Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 2.79Å; N235-A238 PolarHBondContact O-N 2.69Å; N235-G239 PolarHBondContact O-N 3.05Å
236P84.9Confident78.1Confident39 Ų3983.2 Ų83.225%0.25340%0.397SS..Hα-helixtrans-51.5-44.1165.8-30.635.1000114.2K232 R233 G239 L240 F417K232-P236 WeakPolarHBondContact O-CD 3.48Å; R233-P236 WeakPolarHBondContact O-CD 3.43Å; P236-G239 PolarHBondContact O-N 3.44Å; P236-L240 PolarHBondContact O-N 2.85Å; P236-F417 HydrophobicContact CB-CD2 4.49Å
237A88.8Confident79.4Confident27 Ų2779.1 Ų79.122%0.22338%0.383CS..Hα-helixtrans-61.2-48.417800000112.3R233 N235 G239 L240 I241 F417R233-A237 PolarHBondContact O-N 3.4Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 2.79Å; A237-G239 VanDerWaalsContact C-N 3.32Å; A237-G239 PolarHBondContact O-N 2.82Å; A237-L240 PolarHBondContact O-N 3.24Å; A237-I241 WeakPolarHBondContact O-CG1 3.38Å; A237-I241 PolarHBondContact O-N 3.4Å; A237-F417 HydrophobicContact CB-CD2 4.04Å; A237-F417 HydrophobicContact CB-CE2 3.75Å
238A91.2Very high80.5Confident45 Ų4581.6 Ų81.637%0.37239%0.391SS..Hα-helixtrans-61.6-40174.900000112.1R234 N235 I241 Q242R234-A238 WeakPolarHBondContact O-CB 3.36Å; R234-A238 PolarHBondContact O-N 3.14Å; N235-A238 PolarHBondContact O-N 2.69Å; A238-I241 PolarHBondContact O-N 2.94Å; A238-Q242 WeakPolarHBondContact O-CB 3.38Å; A238-Q242 WeakPolarHBondContact O-CG 3.26Å; A238-Q242 PolarHBondContact O-N 3.06Å
239G89.9Confident81.7Confident27 Ų2775.5 Ų75.528%0.27836%0.364SS..Hα-helixtrans-61.6-41.5174.900000113.2N235 P236 A237 A243N235-G239 PolarHBondContact O-N 3.05Å; P236-G239 PolarHBondContact O-N 3.44Å; A237-G239 VanDerWaalsContact C-N 3.32Å; A237-G239 PolarHBondContact O-N 2.82Å; G239-A243 VanDerWaalsContact O-CB 3.29Å; G239-A243 WeakPolarHBondContact O-CB 3.34Å; G239-A243 PolarHBondContact O-N 2.86Å
240L93.4Very high82.7Confident30 Ų3072.9 Ų72.916%0.15735%0.352CS..Hα-helixtrans-63.6-48.1174.9175.357.5000111.9P236 A237 Q242 A243 A244 F410 K414 F417P236-L240 PolarHBondContact O-N 2.85Å; A237-L240 PolarHBondContact O-N 3.24Å; L240-Q242 VanDerWaalsContact C-N 3.32Å; L240-Q242 PolarHBondContact O-N 3.05Å; L240-A243 PolarHBondContact O-N 2.72Å; L240-A244 WeakPolarHBondContact O-CB 3.44Å; L240-A244 PolarHBondContact O-N 3.01Å; L240-F410 HydrophobicContact CD1-CD2 3.99Å; L240-F410 HydrophobicContact CD1-CE2 3.75Å; L240-K414 HydrophobicContact CD1-CB 3.96Å; L240-F417 HydrophobicContact CB-CB 4.32Å; L240-F417 HydrophobicContact CD2-CB 3.78Å; L240-F417 HydrophobicContact CD2-CD1 3.38Å; L240-F417 HydrophobicContact CD2-CE1 4.1Å; L240-F417 HydrophobicContact CD2-CG 3.67Å
241I92.9Very high83.8Confident124 Ų12469.8 Ų69.864%0.63634%0.341SS*.Hα-helixtrans-59.4-45.5178.8-65.6164.7000110.4A237 A238 A244 W245A237-I241 WeakPolarHBondContact O-CG1 3.38Å; A237-I241 PolarHBondContact O-N 3.4Å; A238-I241 PolarHBondContact O-N 2.94Å; I241-A244 PolarHBondContact O-N 3.05Å; I241-W245 PolarHBondContact O-N 3.33Å
242Q91.1Very high84.1Confident107 Ų10769 Ų6950%0.534%0.34SS..Hα-helixtrans-63.8-39.7176.2-75-171.531.100113.3A238 L240 R246A238-Q242 WeakPolarHBondContact O-CB 3.38Å; A238-Q242 WeakPolarHBondContact O-CG 3.26Å; A238-Q242 PolarHBondContact O-N 3.06Å; L240-Q242 VanDerWaalsContact C-N 3.32Å; L240-Q242 PolarHBondContact O-N 3.05Å; Q242-R246 WeakPolarHBondContact O-CG 3.38Å; Q242-R246 PolarHBondContact O-N 3.42Å
243A88.3Confident84.4Confident10 Ų1067.9 Ų67.98%0.08335%0.347CS..Hα-helixtrans-70.9-37.5178.700000111.9G239 L240 R246 F247 F410G239-A243 VanDerWaalsContact O-CB 3.29Å; G239-A243 WeakPolarHBondContact O-CB 3.34Å; G239-A243 PolarHBondContact O-N 2.86Å; L240-A243 PolarHBondContact O-N 2.72Å; A243-R246 PolarHBondContact O-N 2.96Å; A243-F247 WeakPolarHBondContact O-CB 3.38Å; A243-F247 PolarHBondContact O-N 3.04Å; A243-F410 HydrophobicContact CB-CB 4.38Å
244A90.8Very high84.2Confident34 Ų3471.9 Ų71.928%0.28136%0.362SS..Hα-helixtrans-63.6-43.2174.100000111.8L240 I241 F247 Y248 F410L240-A244 WeakPolarHBondContact O-CB 3.44Å; L240-A244 PolarHBondContact O-N 3.01Å; I241-A244 PolarHBondContact O-N 3.05Å; A244-F247 PolarHBondContact O-N 3.2Å; A244-Y248 WeakPolarHBondContact O-CB 3.29Å; A244-Y248 PolarHBondContact O-N 3.5Å; A244-F410 HydrophobicContact CB-CD2 3.98Å; A244-F410 HydrophobicContact CB-CE2 3.82Å
245W89.5Confident83.4Confident140 Ų14069.7 Ų69.753%0.5337%0.366SS..Hα-helixtrans-64.7-43.4175.4-173.985.8000112.2I241 Y248 A249 T260I241-W245 PolarHBondContact O-N 3.33Å; W245-Y248 WeakPolarHBondContact O-CB 3.31Å; W245-Y248 PolarHBondContact O-N 3.03Å; W245-A249 WeakPolarHBondContact O-CB 3.17Å; W245-A249 PolarHBondContact O-N 3.17Å; W245-T260 HydrophobicContact CH2-CG2 4.41Å; W245-T260 WeakPolarHBondContact CH2-OG1 3.49Å; W245-T260 HydrophobicContact CZ3-CG2 3.95Å
246R85.2Confident82.6Confident90 Ų9070.4 Ų70.434%0.3437%0.37SS..Hα-helixtrans-62.4-42.6174.7-73.7179.3177.5107.5-0.8112.1Q242 A243 A249 T250Q242-R246 WeakPolarHBondContact O-CG 3.38Å; Q242-R246 PolarHBondContact O-N 3.42Å; A243-R246 PolarHBondContact O-N 2.96Å; R246-A249 PolarHBondContact O-N 3.37Å; R246-T250 WeakPolarHBondContact O-CG2 3.34Å; R246-T250 PolarHBondContact O-N 2.88Å; R246-T250 PolarHBondContact O-OG1 2.76Å
247F86Confident81.9Confident75 Ų7570.6 Ų70.633%0.32937%0.369SS..Hα-helixtrans-57.3-49.1173164.2-114.6000111.8A243 A244 A249 T250 V407 F410A243-F247 WeakPolarHBondContact O-CB 3.38Å; A243-F247 PolarHBondContact O-N 3.04Å; A244-F247 PolarHBondContact O-N 3.2Å; F247-A249 VanDerWaalsContact C-N 3.33Å; F247-A249 PolarHBondContact O-N 3.42Å; F247-T250 PolarHBondContact O-N 2.84Å; F247-T250 PolarHBondContact O-OG1 2.62Å; F247-V407 HydrophobicContact CD2-CG2 3.65Å; F247-V407 HydrophobicContact CE2-CG2 3.62Å; F247-F410 HydrophobicContact CB-CB 4.23Å; F247-F410 HydrophobicContact CB-CG 4.45Å; F247-F410 HydrophobicContact CD1-CD1 4.48Å
248Y85.1Confident80.8Confident129 Ų12974.4 Ų74.451%0.50639%0.385SS..Hα-helixtrans-58.5-41.5177-176.7-93.1000112.7A244 W245 N251 R254 L257A244-Y248 WeakPolarHBondContact O-CB 3.29Å; A244-Y248 PolarHBondContact O-N 3.5Å; W245-Y248 WeakPolarHBondContact O-CB 3.31Å; W245-Y248 PolarHBondContact O-N 3.03Å; Y248-N251 WeakPolarHBondContact O-CB 3.48Å; Y248-R254 PolarHBondContact OH-NH1 3.03Å; Y248-L257 HydrophobicContact CD1-CD2 4.48Å
249A83Confident79.6Confident1 Ų177.2 Ų77.21%0.00840%0.4CS..Hα-helixtrans-72-30.9179.400000113.9W245 R246 F247 N251 L257 T260W245-A249 WeakPolarHBondContact O-CB 3.17Å; W245-A249 PolarHBondContact O-N 3.17Å; R246-A249 PolarHBondContact O-N 3.37Å; F247-A249 VanDerWaalsContact C-N 3.33Å; F247-A249 PolarHBondContact O-N 3.42Å; A249-N251 PolarHBondContact O-N 2.95Å; A249-N251 VanDerWaalsContact O-N 3.08Å; A249-L257 HydrophobicContact CB-CB 4.48Å; A249-L257 HydrophobicContact CB-CD2 3.75Å; A249-T260 HydrophobicContact CB-CG2 3.79Å; A249-T260 WeakPolarHBondContact CB-OG1 3.14Å
250T77.6Confident78.7Confident0 Ų076.2 Ų76.20%039%0.389CS..THydrogen-bonded Turntrans-76.219.7174.355.90000114.7R246 F247 L252 W261 Y264 R403 C406R246-T250 WeakPolarHBondContact O-CG2 3.34Å; R246-T250 PolarHBondContact O-N 2.88Å; R246-T250 PolarHBondContact O-OG1 2.76Å; F247-T250 PolarHBondContact O-N 2.84Å; F247-T250 PolarHBondContact O-OG1 2.62Å; T250-L252 PolarHBondContact O-N 3.01Å; T250-W261 HydrophobicContact CG2-CH2 4.39Å; T250-W261 HydrophobicContact CG2-CZ2 4.28Å; T250-Y264 HydrophobicContact CG2-CE2 4.34Å; T250-R403 VanDerWaalsContact O-CD 3.31Å; T250-R403 WeakPolarHBondContact O-CD 3.46Å; T250-R403 WeakPolarHBondContact O-CG 3.29Å; T250-C406 HydrophobicContact CG2-CB 4.27Å
251N80.3Confident77.7Confident50 Ų5075.9 Ų75.927%0.26739%0.386SS..  trans-82.5115.6179.4-167.610.6000111.5Y248 A249 S253 R254 R403Y248-N251 WeakPolarHBondContact O-CB 3.48Å; A249-N251 PolarHBondContact O-N 2.95Å; A249-N251 VanDerWaalsContact O-N 3.08Å; N251-S253 PolarHBondContact ND2-OG 3.23Å; N251-S253 PolarHBondContact O-N 2.93Å; N251-R254 PolarHBondContact O-N 3.29Å; N251-R403 PolarHBondContact OD1-NH2 2.98Å
252L69.8Low76.8Confident99 Ų9973.9 Ų73.952%0.51838%0.376SS..THydrogen-bonded Turntrans-61.2-16.1-172.7-150.173.7000114.6T250 R254 K399T250-L252 PolarHBondContact O-N 3.01Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-K399 HydrophobicContact CD1-CB 4.38Å
253S71.1Confident76.1Confident97 Ų9773.7 Ų73.768%0.67837%0.374SS*.THydrogen-bonded Turntrans-86.34.3174.361.20000114.9N251N251-S253 PolarHBondContact ND2-OG 3.23Å; N251-S253 PolarHBondContact O-N 2.93Å
254R66.1Low75.4Confident109 Ų10974.5 Ų74.541%0.41138%0.375SS..  trans-134.691.6175.4-70.7-168-179.4-178.32.7111.5Y248 N251 L252 D256Y248-R254 PolarHBondContact OH-NH1 3.03Å; N251-R254 PolarHBondContact O-N 3.29Å; L252-R254 VanDerWaalsContact C-N 3.34Å; R254-D256 PolarHBondContact O-N 3.17Å
255T64Low74.5Confident109 Ų10975.9 Ų75.967%0.66938%0.376SS*.THydrogen-bonded Turntrans-70.4-14.6171.844.80000113.3L257 L258T255-L257 PolarHBondContact O-N 3.18Å; T255-L257 VanDerWaalsContact O-N 3.09Å; T255-L258 WeakPolarHBondContact O-CD2 3.3Å
256D64.8Low73.6Confident136 Ų13676 Ų7673%0.72738%0.382SS*.THydrogen-bonded Turntrans-61.5-17.9-177.9-52.7-64.3000115.1R254 L258R254-D256 PolarHBondContact O-N 3.17Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-L258 PolarHBondContact O-N 3.24Å
257L71.8Confident72.8Confident44 Ų4475.3 Ų75.323%0.2339%0.388CS..  trans-96.343.6-175.2-88.572.6000113.1Y248 A249 T255 C259 T260Y248-L257 HydrophobicContact CD1-CD2 4.48Å; A249-L257 HydrophobicContact CB-CB 4.48Å; A249-L257 HydrophobicContact CB-CD2 3.75Å; T255-L257 PolarHBondContact O-N 3.18Å; T255-L257 VanDerWaalsContact O-N 3.09Å; L257-C259 VanDerWaalsContact C-N 3.3Å; L257-C259 PolarHBondContact O-N 3.04Å; L257-C259 VanDerWaalsContact O-N 3.16Å; L257-T260 PolarHBondContact O-N 3.4Å; L257-T260 VanDerWaalsContact O-N 3.12Å; L257-T260 PolarHBondContact O-OG1 3.29Å
258L65.9Low71.6Confident107 Ų10774.5 Ų74.556%0.5639%0.389SS*.Hα-helixtrans-42.7-49.5-178-62.7176.2000113.4T255 D256 T260 W261 D262T255-L258 WeakPolarHBondContact O-CD2 3.3Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-L258 PolarHBondContact O-N 3.24Å; L258-T260 PolarHBondContact O-N 3.31Å; L258-W261 CarbonylContact O-C 3.58Å; L258-W261 WeakPolarHBondContact O-CA 3.28Å; L258-W261 WeakPolarHBondContact O-CB 3.39Å; L258-W261 PolarHBondContact O-N 3Å; L258-D262 VanDerWaalsContact O-CG 3.22Å; L258-D262 PolarHBondContact O-N 3.18Å; L258-D262 VanDerWaalsContact O-OD1 3.1Å
259C66.1Low70.1Confident103 Ų10370.2 Ų70.270%0.69638%0.38SS*.Hα-helixtrans-51.4-20.1-176.8-41.90000115.9L257 D262L257-C259 VanDerWaalsContact C-N 3.3Å; L257-C259 PolarHBondContact O-N 3.04Å; L257-C259 VanDerWaalsContact O-N 3.16Å; C259-D262 VanDerWaalsContact CA-OD2 3.28Å; C259-D262 WeakPolarHBondContact CA-OD2 3.24Å; C259-D262 PolarHBondContact N-OD2 3.44Å
260T70.1Confident68.5Low7 Ų774.7 Ų74.74%0.04341%0.407CS..Hα-helixtrans-90.6-33.4176.7-33.60000112.1W245 A249 L257 L258 Y264W245-T260 HydrophobicContact CH2-CG2 4.41Å; W245-T260 WeakPolarHBondContact CH2-OG1 3.49Å; W245-T260 HydrophobicContact CZ3-CG2 3.95Å; A249-T260 HydrophobicContact CB-CG2 3.79Å; A249-T260 WeakPolarHBondContact CB-OG1 3.14Å; L257-T260 PolarHBondContact O-N 3.4Å; L257-T260 VanDerWaalsContact O-N 3.12Å; L257-T260 PolarHBondContact O-OG1 3.29Å; L258-T260 PolarHBondContact O-N 3.31Å; T260-Y264 HydrophobicContact CG2-CE2 4.43Å; T260-Y264 WeakPolarHBondContact O-CD2 3.43Å
261W72.8Confident66.9Low23 Ų2378.6 Ų78.69%0.08743%0.433CS..Hα-helixtrans-73.9-41.1172.2-67.6101.5000110.8T250 L258 F263 Y264 E265 K399 V402T250-W261 HydrophobicContact CG2-CH2 4.39Å; T250-W261 HydrophobicContact CG2-CZ2 4.28Å; L258-W261 CarbonylContact O-C 3.58Å; L258-W261 WeakPolarHBondContact O-CA 3.28Å; L258-W261 WeakPolarHBondContact O-CB 3.39Å; L258-W261 PolarHBondContact O-N 3Å; W261-F263 PolarHBondContact O-N 3.32Å; W261-F263 VanDerWaalsContact O-N 3.15Å; W261-Y264 CarbonylContact O-C 3.53Å; W261-Y264 WeakPolarHBondContact O-CA 3.27Å; W261-Y264 PolarHBondContact O-N 2.86Å; W261-E265 PolarHBondContact O-N 3.2Å; W261-K399 HydrophobicContact CH2-CB 4.08Å; W261-K399 HydrophobicContact CZ3-CB 3.93Å; W261-K399 HydrophobicContact CZ3-CG 4.03Å; W261-V402 HydrophobicContact CZ3-CB 4.36Å; W261-V402 HydrophobicContact CZ3-CG1 4.11Å
262D74.1Confident64.8Low81 Ų8182.4 Ų82.443%0.43345%0.451SS..Hα-helixtrans-48.9-42.7172-56.1-12.5000111.7L258 C259 E265 Q266L258-D262 VanDerWaalsContact O-CG 3.22Å; L258-D262 PolarHBondContact O-N 3.18Å; L258-D262 VanDerWaalsContact O-OD1 3.1Å; C259-D262 VanDerWaalsContact CA-OD2 3.28Å; C259-D262 WeakPolarHBondContact CA-OD2 3.24Å; C259-D262 PolarHBondContact N-OD2 3.44Å; D262-E265 PolarHBondContact O-N 3.23Å; D262-Q266 VanDerWaalsContact O-CB 3.22Å; D262-Q266 WeakPolarHBondContact O-CB 3.32Å; D262-Q266 PolarHBondContact O-N 3.26Å
263F76.3Confident63.4Low104 Ų10484 Ų8446%0.45645%0.45SS..Hα-helixtrans-63.7-41.3176.5171.7-95.1000112.7W261 T267W261-F263 PolarHBondContact O-N 3.32Å; W261-F263 VanDerWaalsContact O-N 3.15Å; F263-T267 VanDerWaalsContact O-CB 3.24Å; F263-T267 WeakPolarHBondContact O-CB 3.46Å; F263-T267 PolarHBondContact O-N 3.22Å; F263-T267 PolarHBondContact O-OG1 3.12Å
264Y72.9Confident61.6Low27 Ų2789.9 Ų89.911%0.10646%0.458CS..Hα-helixtrans-74.4-39.5177-72.7-67.1000111.8T250 T260 W261 T267 V268 V402 C406T250-Y264 HydrophobicContact CG2-CE2 4.34Å; T260-Y264 HydrophobicContact CG2-CE2 4.43Å; T260-Y264 WeakPolarHBondContact O-CD2 3.43Å; W261-Y264 CarbonylContact O-C 3.53Å; W261-Y264 WeakPolarHBondContact O-CA 3.27Å; W261-Y264 PolarHBondContact O-N 2.86Å; Y264-T267 PolarHBondContact O-N 2.97Å; Y264-V268 VanDerWaalsContact O-CB 3.22Å; Y264-V268 WeakPolarHBondContact O-CB 3.4Å; Y264-V268 WeakPolarHBondContact O-CG2 3.15Å; Y264-V268 PolarHBondContact O-N 3.18Å; Y264-V402 HydrophobicContact CD1-CG1 3.88Å; Y264-V402 HydrophobicContact CD2-CG1 3.76Å; Y264-V402 HydrophobicContact CE1-CG1 4.14Å; Y264-V402 HydrophobicContact CE2-CG1 4.05Å; Y264-V402 HydrophobicContact CG-CG1 3.7Å; Y264-C406 PolarHBondContact OH-SG 3.08Å
265E73Confident60.3Low62 Ų6290.3 Ų90.329%0.2947%0.466SS..Hα-helixtrans-60.7-48174.5-81.9166.4-166.600110.7W261 D262 T267 V268 A269 L394W261-E265 PolarHBondContact O-N 3.2Å; D262-E265 PolarHBondContact O-N 3.23Å; E265-T267 PolarHBondContact O-N 2.86Å; E265-V268 PolarHBondContact O-N 3.43Å; E265-A269 WeakPolarHBondContact O-CB 2.95Å; E265-A269 PolarHBondContact O-N 2.82Å; E265-L394 HydrophobicContact CB-CD1 4.47Å; E265-L394 HydrophobicContact CG-CD1 3.61Å
266Q70.1Confident58.7Low143 Ų14392.5 Ų92.567%0.66847%0.471SS*.Hα-helixtrans-63.2-39.4174.1-165.9172.247.400112.5D262 V270D262-Q266 VanDerWaalsContact O-CB 3.22Å; D262-Q266 WeakPolarHBondContact O-CB 3.32Å; D262-Q266 PolarHBondContact O-N 3.26Å; Q266-V270 VanDerWaalsContact O-CG2 3.24Å; Q266-V270 WeakPolarHBondContact O-CG2 3.42Å; Q266-V270 PolarHBondContact O-N 2.91Å
267T67.3Low57.1Low75 Ų7594.1 Ų94.146%0.4647%0.473SS..Hα-helixtrans-71.2-29.3177.8-57.70000113.1F263 Y264 E265 P271F263-T267 VanDerWaalsContact O-CB 3.24Å; F263-T267 WeakPolarHBondContact O-CB 3.46Å; F263-T267 PolarHBondContact O-N 3.22Å; F263-T267 PolarHBondContact O-OG1 3.12Å; Y264-T267 PolarHBondContact O-N 2.97Å; E265-T267 PolarHBondContact O-N 2.86Å; T267-P271 WeakPolarHBondContact O-CD 3.46Å
268V61.3Low55.3Low58 Ų5896.5 Ų96.535%0.35249%0.494SS..Hα-helixtrans-91.7-19.6-179.4172.20000112.3Y264 E265 P271 L394 L398Y264-V268 VanDerWaalsContact O-CB 3.22Å; Y264-V268 WeakPolarHBondContact O-CB 3.4Å; Y264-V268 WeakPolarHBondContact O-CG2 3.15Å; Y264-V268 PolarHBondContact O-N 3.18Å; E265-V268 PolarHBondContact O-N 3.43Å; V268-P271 WeakPolarHBondContact O-CD 3.35Å; V268-L394 HydrophobicContact CB-CD1 4.32Å; V268-L394 HydrophobicContact CG1-CD1 4.06Å; V268-L398 HydrophobicContact CG1-CD2 4.15Å
269A54.8Low53.9Low39 Ų3999.2 Ų99.232%0.32250%0.498SS..Hα-helixtrans-76.6-42.8171.500000112.7E265 M272 Y273E265-A269 WeakPolarHBondContact O-CB 2.95Å; E265-A269 PolarHBondContact O-N 2.82Å; A269-M272 PolarHBondContact O-N 3.03Å; A269-M272 VanDerWaalsContact O-N 3.16Å; A269-Y273 HydrophobicContact CB-CE2 4.21Å; A269-Y273 WeakPolarHBondContact O-CD2 3.4Å
270V49Very low52.4Low95 Ų95103.6 Ų103.658%0.57651%0.506SS*.Hα-helixtrans-54.3-31.8-176.6164.30000116.1Q266 M272Q266-V270 VanDerWaalsContact O-CG2 3.24Å; Q266-V270 WeakPolarHBondContact O-CG2 3.42Å; Q266-V270 PolarHBondContact O-N 2.91Å; V270-M272 PolarHBondContact O-N 2.94Å
271P43.6Very low50.4Low82 Ų82108.7 Ų108.753%0.53254%0.54SS..Hα-helixtrans-59.6-40.5174-25.535000114.5T267 V268T267-P271 WeakPolarHBondContact O-CD 3.46Å; V268-P271 WeakPolarHBondContact O-CD 3.35Å
272M36.2Very low48.2Very low131 Ų131114.4 Ų114.465%0.64558%0.577SS**Hα-helixtrans-66.9-46.2-175.8-82.2-17764.300112.3A269 V270 R274 M275 M276A269-M272 PolarHBondContact O-N 3.03Å; A269-M272 VanDerWaalsContact O-N 3.16Å; V270-M272 PolarHBondContact O-N 2.94Å; M272-R274 VanDerWaalsContact C-N 3.31Å; M272-R274 PolarHBondContact O-N 3.35Å; M272-M275 PolarHBondContact O-N 2.91Å; M272-M275 VanDerWaalsContact O-N 3.13Å; M272-M276 PolarHBondContact O-N 3.36Å
273Y39.6Very low46.4Very low132 Ų132116 Ų11652%0.51859%0.593SS.*Hα-helixtrans-67.7-30.5-174-61-74.6000113A269 M275 Q277A269-Y273 HydrophobicContact CB-CE2 4.21Å; A269-Y273 WeakPolarHBondContact O-CD2 3.4Å; Y273-M275 VanDerWaalsContact C-N 3.32Å; Y273-Q277 WeakPolarHBondContact O-CB 3.3Å; Y273-Q277 PolarHBondContact O-N 2.94Å
274R34.3Very low44.1Very low221 Ų221121 Ų12183%0.83461%0.608SS**Hα-helixtrans-71.5-27.7175.2-156.6177.3-162-175.65.5113M272M272-R274 VanDerWaalsContact C-N 3.31Å; M272-R274 PolarHBondContact O-N 3.35Å
275M37.9Very low42Very low118 Ų118127.8 Ų127.858%0.58165%0.645SS**Hα-helixtrans-80.3-44.5176.9-161.4166.8-174.100111.1M272 Y273 Y279M272-M275 PolarHBondContact O-N 2.91Å; M272-M275 VanDerWaalsContact O-N 3.13Å; Y273-M275 VanDerWaalsContact C-N 3.32Å; M275-Y279 WeakPolarHBondContact O-CD2 3.28Å
276M31.6Very low40Very low155 Ų155130.3 Ų130.376%0.76466%0.659SS**Hα-helixtrans-72.4-34-175.7-165170.5-177.500113.8M272 S278M272-M276 PolarHBondContact O-N 3.36Å; M276-S278 PolarHBondContact O-N 3.19Å
277Q29.9Very low38.2Very low169 Ų169128.8 Ų128.879%0.7966%0.662SS**THydrogen-bonded Turntrans-74.7-8.4-177.9-164.4157.544.800113.9Y273Y273-Q277 WeakPolarHBondContact O-CB 3.3Å; Y273-Q277 PolarHBondContact O-N 2.94Å
278S33.9Very low36.6Very low95 Ų95131.2 Ų131.266%0.66468%0.679SS**THydrogen-bonded Turntrans-86.3-11.5179-163.80000114.7M276M276-S278 PolarHBondContact O-N 3.19Å
279Y36.6Very low35.1Very low163 Ų163135.9 Ų135.964%0.63970%0.701SS**SBendtrans-109.1-14.9-169.2-78.3-82.5000115.7M275M275-Y279 WeakPolarHBondContact O-CD2 3.28Å
280F35.6Very low34.3Very low195 Ų195141 Ų14186%0.85572%0.723SS**SBendtrans-149.145.8-174.9-129.1-85.3000116.6
281C26.7Very low33.7Very low115 Ų115144.5 Ų144.578%0.77773%0.733SS**  trans-168.694.3151.9-105.60000113.6
282V28.2Very low33.3Very low142 Ų142147.5 Ų147.586%0.86174%0.743SS**  trans-136.8109.7153.2179.40000107.5
283P35.6Very low33.2Very low116 Ų116147.3 Ų147.375%0.75375%0.745SS**  -137130.411534.1-22.3000114.7
284R27.5Very low33.1Very low208 Ų208148.6 Ų148.679%0.78576%0.76SS**  trans71.289.6130.7-160.9-174.1-154.6161.95118.8I286R284-I286 HydrophobicContact CG-CD1 3.94Å; R284-I286 HydrophobicContact CG-CG1 4.15Å
285I28.4Very low33.1Very low170 Ų170144 Ų14487%0.87275%0.752SS**  trans-117.2129.7134.6-63.8-178.1000107.8
286I32.3Very low33Very low114 Ų114148.3 Ų148.359%0.58576%0.761SS**  trans-116.5118.4-178.5-63.2165.9000107.9R284R284-I286 HydrophobicContact CG-CD1 3.94Å; R284-I286 HydrophobicContact CG-CG1 4.15Å
287P31.6Very low33.1Very low112 Ų112147.4 Ų147.473%0.72776%0.759SS**  trans-74130.116030.9-30.3000108.6L289P287-L289 PolarHBondContact O-N 3.09Å
288P34Very low33.1Very low126 Ų126146.5 Ų146.582%0.81876%0.759SS**  trans-74.3117.2-171.928.2-34.2000112.1
289L30.9Very low32.8Very low156 Ų156151 Ų15182%0.81777%0.767SS**  trans-91.4108.9161.9-103.1168.2000109.2P287P287-L289 PolarHBondContact O-N 3.09Å
290N36.7Very low32.2Very low147 Ų147145.9 Ų145.979%0.78676%0.764SS**  trans-139.5156.8163.6-163.6-1.7000108.3
291Q35.8Very low31.8Very low168 Ų168146.3 Ų146.379%0.78577%0.765SS**  trans60.770.2-168.9-60.5-166.4-48.900115.6
292L36Very low31.7Very low144 Ų144145.9 Ų145.975%0.75476%0.764SS**  trans-1353.7153.4-108.1176.7000115.8L294L292-L294 VanDerWaalsContact C-N 3.34Å
293D34.2Very low31.3Very low128 Ų128146.6 Ų146.668%0.68476%0.756SS**SBendtrans-80.9-12.2169.8-103.2-48.7000113.7R296D293-R296 IonicContact OD1-CZ 3.99Å; D293-R296 IonicContact OD1-NH1 2.81Å; D293-R296 PolarHBondContact OD1-NH1 3.01Å
294L37.9Very low30.7Very low158 Ų158150.1 Ų150.183%0.82775%0.754SS**THydrogen-bonded Turntrans-101.545.1-177.5-159.6109.5000113.9L292L292-L294 VanDerWaalsContact C-N 3.34Å
295L33Very low30.4Very low126 Ų126147.4 Ų147.466%0.6675%0.748SS**THydrogen-bonded Turntrans-157.239.3156-111.2171.9000112.4N297L295-N297 VanDerWaalsContact CD2-O 3.23Å; L295-N297 WeakPolarHBondContact CD2-O 3.48Å; L295-N297 PolarHBondContact O-N 3.4Å
296R36.1Very low30Very low208 Ų208144.9 Ų144.979%0.78574%0.736SS**  trans-74.318.1176.6-139.5172.8-168.8143.3-5.1114D293D293-R296 IonicContact OD1-CZ 3.99Å; D293-R296 IonicContact OD1-NH1 2.81Å; D293-R296 PolarHBondContact OD1-NH1 3.01Å
297N33.8Very low29.5Very low135 Ų135143.4 Ų143.472%0.72274%0.736SS**SBendtrans-146.9138.7-177.7-91.6-65.1000108.1L295L295-N297 VanDerWaalsContact CD2-O 3.23Å; L295-N297 WeakPolarHBondContact CD2-O 3.48Å; L295-N297 PolarHBondContact O-N 3.4Å
298L30.9Very low29Very low151 Ų151146.4 Ų146.479%0.79174%0.74SS**  trans67.4135.6-161.8-44.8168.6000110.5
299K26.5Very low28.4Very low188 Ų188144.7 Ų144.782%0.81774%0.737SS**  cis-1621402.3-161.3158175-178.50105.9
300G25.7Very low28Very low56 Ų56144.9 Ų144.958%0.57773%0.733SS**  cis99.983.311.800000111.3
301K26.1Very low27.2Very low205 Ų205143.2 Ų143.289%0.89173%0.728SS**  trans79.3135.1-165.7-50.9159.9-174.1-179.30111.1
302S23.9Very low26.5Very low106 Ų106140.5 Ų140.574%0.74173%0.728SS**  cis110.5139.824.2-175.10000111.6
303F21.5Very low26.4Very low157 Ų157139.1 Ų139.169%0.68973%0.728SS**  trans73.7123.9158.1-114.6-136.5000121.7
304R21.9Very low26Very low189 Ų189137.7 Ų137.771%0.71373%0.728SS**  trans58.1119.5130.3-80.9-163-173.91753.2122.1
305K21.8Very low25.4Very low152 Ų152141.1 Ų141.166%0.66173%0.73SS**  73.6152.6105.1-153.4-165.9174.7-75.50118.2
306D20.5Very low24.9Very low116 Ų116144.4 Ų144.462%0.6274%0.738SS**  trans68.8155.6164.4-64-29.2000115.9
307S21.2Very low24.4Very low83 Ų83138.9 Ų138.958%0.5874%0.738SS**  cis-161.5175-15.4-113.80000111.7
308Q20.7Very low24Very low176 Ų176137.4 Ų137.482%0.82274%0.738SS**  trans37119.5145.4-67.3168.5-89.700121.2
309A22.3Very low23.7Very low90 Ų90137.5 Ų137.574%0.74474%0.738SS**  32.7149.7109.900000122.4
310E20.8Very low23.7Very low159 Ų159136.3 Ų136.374%0.74373%0.733SS**  trans92.2105.9163-68.4-53.8138.200121.4
311T21Very low23.6Very low112 Ų112138.6 Ų138.669%0.68773%0.732SS**  trans49105.8138.437.80000124.1
312S21.7Very low23.7Very low111 Ų111137 Ų13778%0.77673%0.725SS**  43.4139.2119.4-59.70000121.6
313P33.5Very low23.6Very low116 Ų116138.1 Ų138.175%0.75373%0.727SS**  -163.4157.777.542.1-20.9000121.9
314S24.3Very low23.5Very low97 Ų97140 Ų14068%0.67874%0.736SS**  trans71.2154.2148.4103.50000118.9
315R25.5Very low24.2Very low231 Ų231136.4 Ų136.487%0.87274%0.737SS**  cis-145.6168.97.5-102.7138.8-177.4172.7-0.5106.9
316K24Very low24.3Very low194 Ų194134 Ų13484%0.84374%0.739SS**  cis-130.8153.814.9-64.5179.4-175.6177.40108.4
317A24.4Very low25.3Very low93 Ų93133.8 Ų133.877%0.76974%0.744SS**  71.8126.665.200000114.8
318S26.2Very low25.4Very low103 Ų103134.7 Ų134.772%0.7275%0.75SS**  cis-168.5169.70.452.40000114.3
319L24.3Very low25.6Very low153 Ų153136 Ų13680%0.80175%0.753SS**  trans75.9143.6166.3-94.868.3000117.3
320K26.2Very low25.8Very low163 Ų163136.2 Ų136.271%0.70976%0.755SS**  cis-163.1140.3-4.3-154.9-175.4178.5-173.60113.3
321D24.3Very low26.6Very low104 Ų104133.9 Ų133.956%0.55675%0.754SS**  trans46.7165.9147.6-72.8-24000123.1
322K27.1Very low26.8Very low171 Ų171134.8 Ų134.874%0.74376%0.759SS**  cis-174.1152.3-39.1-110.6-176.4-164.9115.20111.4
323V22.6Very low27.2Very low131 Ų131136.2 Ų136.279%0.79476%0.763SS**  trans75.7155.6145.6173.70000121.5
324F19.9Very low26.9Very low196 Ų196140.8 Ų140.886%0.8677%0.771SS**  trans-62-174.4170.7-82-95.8000114.9
325P35.3Very low27Very low114 Ų114139.7 Ų139.774%0.7478%0.775SS**  cis-133-163-13.827.9-2.8000114.1
326S24.2Very low27Very low102 Ų102139 Ų13971%0.71378%0.778SS**  trans-54.1171.7156-460000113.3
327P40.8Very low27.2Very low111 Ų111133.7 Ų133.772%0.72177%0.77SS**  cis-155.7-176.631.645.3-23000120.9
328S23.3Very low27.9Very low102 Ų102135 Ų13571%0.71377%0.772SS**  trans74.3127.9143.573.30000122.2
329K26.2Very low27.9Very low204 Ų204135.3 Ų135.389%0.88777%0.773SS**  -161.3149.8101.4-100.5170.7-175.2177.30111.5
330A26.3Very low28.8Very low93 Ų93134.2 Ų134.277%0.76978%0.775SS**  trans-107.6-170.817200000108.2
331P37.3Very low28.7Very low111 Ų111130 Ų13072%0.72178%0.778SS**  cis-144.9174.822.243.7-23.9000118.7
332V26.4Very low28.8Very low131 Ų131129.2 Ų129.279%0.79479%0.787SS**  trans64.8122.5148.3162.10000117.5
333T28.2Very low28.7Very low141 Ų141129.1 Ų129.187%0.86579%0.789SS**  -145.7-175.674.643.90000115.8
334K27.8Very low29Very low211 Ų211130.8 Ų130.892%0.91779%0.793SS**  trans-99.7163.3-158.6-54.8167.6178172.60115.6
335G26.5Very low29.2Very low74 Ų74124.9 Ų124.976%0.76379%0.788SS**  trans115.3117151.400000114
336K26.4Very low28.8Very low216 Ų216124.6 Ų124.694%0.93979%0.794SS**  cis98.7121.541.3-171.5176-179.2-176.30112.1
337A26.5Very low28.9Very low83 Ų83128.4 Ų128.469%0.68680%0.801SS**  trans-86.6179.2178.800000112
338P40.3Very low28.1Very low122 Ų122127.4 Ų127.479%0.79280%0.802SS**  cis-141.1-15013.944.6-22.6000116
339S25.1Very low28.3Very low108 Ų108128 Ų12876%0.75581%0.807SS**  trans-60.3-167.5177-27.20000116
340P44.5Very low28.7Very low130 Ų130124.2 Ų124.284%0.84480%0.803SS**  cis-141.5-169.6-6.342.1-22.6000116.4
341G23.3Very low28.6Very low75 Ų75125.1 Ų125.177%0.77380%0.803SS**  trans96168.4149.300000119.1
342A27.1Very low28Very low88 Ų88129.4 Ų129.473%0.72781%0.811SS**  cis-169.3160.9-20.800000112
343E25.4Very low27.8Very low169 Ų169128.5 Ų128.579%0.7981%0.81SS**  trans57.6151.2161.7-38.4-5273.800123.9
344D27.3Very low27.6Very low166 Ų166127.9 Ų127.989%0.88881%0.806SS**  trans47.1152.5158.5-66.9-24.7000123.1
345G24.4Very low27.6Very low72 Ų72127.8 Ų127.874%0.74281%0.806SS**  cis146.7108.3-9.100000114.1
346A27.7Very low27.5Very low107 Ų107129.6 Ų129.688%0.88481%0.807SS**  trans-169.7145.8163.700000115
347E25.2Very low27.3Very low182 Ų182130.8 Ų130.885%0.8581%0.806SS**  trans-31.3136.5165.3-71.7-65142.200119.2
348A25.7Very low27.3Very low90 Ų90130.9 Ų130.974%0.74480%0.801SS**  176.2145.7116.300000114.1
349S26.1Very low26.6Very low116 Ų116135.8 Ų135.881%0.81180%0.804SS**  trans-150.3141.8158.7-800000108.4
350P34.8Very low26.7Very low123 Ų123136.9 Ų136.980%0.79981%0.806SS**  -154-175.4105.340-22.4000116
351S24.8Very low25.7Very low112 Ų112142.1 Ų142.178%0.78381%0.809SS**  trans88.998.1151.179.30000121.2
352K25.4Very low25.8Very low201 Ų201141.6 Ų141.687%0.87480%0.803SS**  trans-17137.3139.9-53.7157.8-178.2172.80115.1
353S21.6Very low25.7Very low112 Ų112141.6 Ų141.678%0.78381%0.812SS**  179.6151.8107.149.60000115.4
354T23.4Very low25.8Very low128 Ų128138.2 Ų138.279%0.78581%0.813SS**  trans-10.2124.5161.151.60000119.6
355K28Very low25.8Very low210 Ų210135.9 Ų135.991%0.91381%0.809SS**  trans-135.4122.1134.1-73.1-164.6177.1178.30111.3
356S23.5Very low26Very low112 Ų112144 Ų14478%0.78382%0.818SS**  trans-72.7147.4159.7179.80000108.7
357W23.2Very low26Very low240 Ų240148.2 Ų148.291%0.90982%0.819SS**  trans-137130.8161.6-167.3-95.5000111.4
358S26.8Very low26Very low85 Ų85145.8 Ų145.859%0.59481%0.812SS**  trans-100138.1-175.1420000112.5
359R24.8Very low26.1Very low225 Ų225147 Ų14785%0.84982%0.815SS**  trans42.9109.2139.7-173.2175.7-71.6-159.9-2.8118.9
360V26.7Very low26.1Very low132 Ų132148.2 Ų148.280%0.881%0.812SS**  36.3117.4129.2-173.80000118.6
361R24.4Very low25.8Very low240 Ų240151.5 Ų151.591%0.90682%0.817SS**  trans-150.1128.2134.8-171.4151.4-69.5-121.83.2111.2
362G25.8Very low25.8Very low63 Ų63150.9 Ų150.965%0.64982%0.818SS**  trans-78.5150.3162.100000110
363G25.8Very low25.8Very low88 Ų88146.2 Ų146.291%0.90781%0.811SS**  trans-65.5139-169.800000114.3
364A26.7Very low26Very low99 Ų99148.8 Ų148.882%0.81882%0.815SS**  trans-122.6123157.100000106.7
365S26.4Very low26.5Very low116 Ų116148.5 Ų148.581%0.81182%0.816SS**  trans-93.1124.5175.6-164.50000109.2
366R29.1Very low26.5Very low244 Ų244142 Ų14292%0.92181%0.809SS**  trans-117.8128.1161.8-84.8-175.2166-174.4-6.5106.8
367Q27.9Very low26.6Very low195 Ų195145.8 Ų145.891%0.91181%0.814SS**  trans-96.4170.3161.8-76.2-174.8-57.900109.8
368N24.8Very low26.8Very low131 Ų131141.9 Ų141.970%0.70181%0.806SS**  trans-119.2149-159.4-172.561.9000112.1D370N368-D370 PolarHBondContact ND2-OD2 3.28Å
369S27.3Very low26.9Very low114 Ų114145.1 Ų145.180%0.79782%0.815SS**  trans-162.512316055.40000109.7
370D27.4Very low27.1Very low142 Ų142138 Ų13876%0.75981%0.811SS**  trans-88.6176.7-174.7-59.3-90.1000113.5N368N368-D370 PolarHBondContact ND2-OD2 3.28Å
371E27.1Very low27.2Very low193 Ų193139.4 Ų139.490%0.90281%0.814SS**  trans-96.6139.6-169-164174.9129.200112.9
372A26.7Very low27.4Very low98 Ų98133.3 Ų133.381%0.8180%0.799SS**  trans-152.3161.4176.500000111.6
373S24.4Very low27.9Very low104 Ų104138.4 Ų138.473%0.72780%0.804SS**  trans-127.9154.4-148.4-39.20000117.1
374L25.3Very low27.9Very low165 Ų165140 Ų14086%0.86480%0.801SS**  trans71.9164.7162.3-53.1174.9000117.1
375P35.2Very low27.8Very low123 Ų123141 Ų14180%0.79980%0.801SS**  -135.3165.5-5639.1-25.1000113.5
376G26.9Very low27.6Very low74 Ų74143.1 Ų143.176%0.76380%0.797SS**  trans156.6106.1163.700000118.3
377E26.5Very low27.5Very low190 Ų190137.2 Ų137.289%0.88879%0.792SS**  trans40.1140138.7-70.2-172.6154.900125.7
378E26.1Very low27.6Very low159 Ų159134.3 Ų134.374%0.74378%0.779SS**  trans71.9114.6147.8-64.6-72.986.800123.3
379I29.6Very low27.9Very low153 Ų153136.9 Ų136.979%0.78578%0.784SS**  trans54.8134.8143.3-83.163.1000121
380G28.8Very low28.1Very low74 Ų74139.5 Ų139.576%0.76378%0.781SS**  trans155.7115.2155.500000115.7
381D28.4Very low28.8Very low162 Ų162139.1 Ų139.187%0.86678%0.784SS**  trans-77154-173-97.2-47.8000117.1
382D29Very low29.7Very low113 Ų113138.2 Ų138.260%0.60478%0.78SS**  trans70.4122.3144.2-98.4-6000125.6
383K37.5Very low31.1Very low169 Ų169140.4 Ų140.474%0.73577%0.773SS**  trans54.1100.6135.4-65.6171.9-176.278.10119.6
384S24.1Very low32.9Very low122 Ų122136.2 Ų136.285%0.85374%0.743SS**  trans-125.9136.2135.767.60000110.4
385C25.2Very low35.3Very low120 Ų120132 Ų13281%0.81173%0.725SS**  trans-89.1118.8-174.4-65.70000111.7C387C385-C387 PolarHBondContact O-N 3.31Å
386H21.4Very low37.1Very low161 Ų161131.3 Ų131.375%0.74572%0.721SS**  trans-83.391.9176.6-162.4-95.9000110.9E388H386-E388 IonicContact CE1-OE1 3.64Å; H386-E388 WeakPolarHBondContact ND1-CG 3.42Å; H386-E388 IonicContact ND1-OE1 3.97Å; H386-E388 PolarHBondContact O-N 3.24Å
387C28.8Very low39.4Very low119 Ų119130.1 Ų130.180%0.80471%0.709SS**  trans-82.491.8174.2-84.40000111.4C385 F389C385-C387 PolarHBondContact O-N 3.31Å; C387-F389 PolarHBondContact O-N 2.83Å
388E28.5Very low41.9Very low135 Ų135124.4 Ų124.463%0.63168%0.684SS**  trans-68.4129167.3-62.3-16214000111H386 F390H386-E388 IonicContact CE1-OE1 3.64Å; H386-E388 WeakPolarHBondContact ND1-CG 3.42Å; H386-E388 IonicContact ND1-OE1 3.97Å; H386-E388 PolarHBondContact O-N 3.24Å; E388-F390 VanDerWaalsContact C-N 3.33Å; E388-F390 PolarHBondContact O-N 3.16Å
389F31.6Very low44.5Very low185 Ų185118.3 Ų118.381%0.81166%0.655SS**  trans-74.285175.2-114.2-90.2000110C387 T391C387-F389 PolarHBondContact O-N 2.83Å; F389-T391 PolarHBondContact O-N 3.23Å; F389-T391 VanDerWaalsContact O-N 3.13Å
390F32.4Very low47.1Very low169 Ų169114.9 Ų114.974%0.74164%0.641SS**  trans-60.3115.9168.2-101.6-93.5000109.7E388 Q392E388-F390 VanDerWaalsContact C-N 3.33Å; E388-F390 PolarHBondContact O-N 3.16Å; F390-Q392 PolarHBondContact O-N 3.02Å
391T42.1Very low49.8Very low134 Ų134114.7 Ų114.782%0.82263%0.625SS**  trans-67.685.3162.449.90000107.9F389 E393F389-T391 PolarHBondContact O-N 3.23Å; F389-T391 VanDerWaalsContact O-N 3.13Å; T391-E393 PolarHBondContact O-N 3.28Å
392Q45.9Very low52.4Low173 Ų173107.4 Ų107.481%0.80859%0.586SS**  trans-68.897.8-175.5-168.7169.350.700109.3F390 L394F390-Q392 PolarHBondContact O-N 3.02Å; Q392-L394 PolarHBondContact O-N 3.31Å
393E56.1Low55.1Low145 Ų145105.8 Ų105.868%0.67857%0.572SS**PPolyproline II helixtrans-47.6133.2175.5-85.2-154.8-144.900110.5T391 K399T391-E393 PolarHBondContact O-N 3.28Å; E393-K399 IonicContact OE2-NZ 3.76Å; E393-K399 PolarHBondContact OE2-NZ 2.89Å
394L61.9Low57.5Low15 Ų1599.9 Ų99.98%0.07956%0.555CS.*PPolyproline II helixtrans-53128.9177.3-119.878000110E265 V268 Q392 L398 K399 V402E265-L394 HydrophobicContact CB-CD1 4.47Å; E265-L394 HydrophobicContact CG-CD1 3.61Å; V268-L394 HydrophobicContact CB-CD1 4.32Å; V268-L394 HydrophobicContact CG1-CD1 4.06Å; Q392-L394 PolarHBondContact O-N 3.31Å; L394-L398 HydrophobicContact CD2-CB 4.29Å; L394-L398 HydrophobicContact CD2-CD2 3.98Å; L394-L398 HydrophobicContact CD2-CG 3.81Å; L394-L398 HydrophobicContact CG-CB 4.49Å; L394-L398 HydrophobicContact CG-CD2 3.99Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-K399 HydrophobicContact CB-CD 4.28Å; L394-K399 HydrophobicContact CB-CG 3.72Å; L394-K399 WeakPolarHBondContact O-CD 3.49Å; L394-K399 WeakPolarHBondContact O-CE 3.17Å; L394-K399 WeakPolarHBondContact O-CG 3.26Å; L394-V402 HydrophobicContact CD2-CG2 4.36Å
395P74.9Confident60.5Low78 Ų7897.6 Ų97.651%0.50653%0.532SS..PPolyproline II helixtrans-51.3142.3179.5-3035.3000111.5G397 L398 K399P395-G397 PolarHBondContact O-N 3.36Å; P395-G397 VanDerWaalsContact O-N 3.12Å; P395-L398 HydrophobicContact CB-CB 4.43Å; P395-L398 WeakPolarHBondContact O-CA 3.28Å; P395-L398 WeakPolarHBondContact O-CB 3.4Å; P395-L398 PolarHBondContact O-N 2.83Å; P395-K399 PolarHBondContact O-N 2.72Å
396P72.8Confident63.5Low107 Ų10792 Ų9270%0.69550%0.495SS*.Hα-helixtrans-58.5-34.6-171.719.6-31.6000112.8L398 K399 V400P396-L398 VanDerWaalsContact C-N 3.35Å; P396-L398 PolarHBondContact O-N 3.41Å; P396-K399 PolarHBondContact O-N 3.46Å; P396-V400 WeakPolarHBondContact O-CG2 3.42Å; P396-V400 PolarHBondContact O-N 2.93Å
397G76.8Confident66.7Low50 Ų5086.7 Ų86.752%0.51547%0.473SS..Hα-helixtrans-61.5-38.1171.100000113.5P395 V400 T401P395-G397 PolarHBondContact O-N 3.36Å; P395-G397 VanDerWaalsContact O-N 3.12Å; G397-V400 PolarHBondContact O-N 3.5Å; G397-T401 PolarHBondContact O-N 3.19Å; G397-T401 PolarHBondContact O-OG1 3.24Å; G397-T401 VanDerWaalsContact O-OG1 3.11Å
398L79Confident69.6Low69 Ų6987.1 Ų87.136%0.36147%0.465SS..Hα-helixtrans-73.5-35.8177-16555.2000111.7V268 L394 P395 P396 V400 T401 V402V268-L398 HydrophobicContact CG1-CD2 4.15Å; L394-L398 HydrophobicContact CD2-CB 4.29Å; L394-L398 HydrophobicContact CD2-CD2 3.98Å; L394-L398 HydrophobicContact CD2-CG 3.81Å; L394-L398 HydrophobicContact CG-CB 4.49Å; L394-L398 HydrophobicContact CG-CD2 3.99Å; L394-L398 HydrophobicContact CG-CG 4.25Å; P395-L398 HydrophobicContact CB-CB 4.43Å; P395-L398 WeakPolarHBondContact O-CA 3.28Å; P395-L398 WeakPolarHBondContact O-CB 3.4Å; P395-L398 PolarHBondContact O-N 2.83Å; P396-L398 VanDerWaalsContact C-N 3.35Å; P396-L398 PolarHBondContact O-N 3.41Å; L398-V400 VanDerWaalsContact C-N 3.3Å; L398-V400 PolarHBondContact O-N 2.84Å; L398-T401 PolarHBondContact O-N 2.76Å; L398-V402 WeakPolarHBondContact O-CG2 3.34Å; L398-V402 PolarHBondContact O-N 2.98Å
399K79.9Confident72.5Confident32 Ų3286.5 Ų86.514%0.13946%0.46CS..Hα-helixtrans-60.1-39.3169.4-64.6-175.4171.51770111.3L252 W261 E393 L394 P395 P396 R403L252-K399 HydrophobicContact CD1-CB 4.38Å; W261-K399 HydrophobicContact CH2-CB 4.08Å; W261-K399 HydrophobicContact CZ3-CB 3.93Å; W261-K399 HydrophobicContact CZ3-CG 4.03Å; E393-K399 IonicContact OE2-NZ 3.76Å; E393-K399 PolarHBondContact OE2-NZ 2.89Å; L394-K399 HydrophobicContact CB-CD 4.28Å; L394-K399 HydrophobicContact CB-CG 3.72Å; L394-K399 WeakPolarHBondContact O-CD 3.49Å; L394-K399 WeakPolarHBondContact O-CE 3.17Å; L394-K399 WeakPolarHBondContact O-CG 3.26Å; P395-K399 PolarHBondContact O-N 2.72Å; P396-K399 PolarHBondContact O-N 3.46Å; K399-R403 PolarHBondContact O-N 3.45Å; K399-R403 VanDerWaalsContact O-N 3.13Å
400V84.6Confident75.4Confident81 Ų8179.9 Ų79.949%0.49143%0.431SS..Hα-helixtrans-66.7-43.2172.8171.60000112.1P396 G397 L398 V402 R403 A404P396-V400 WeakPolarHBondContact O-CG2 3.42Å; P396-V400 PolarHBondContact O-N 2.93Å; G397-V400 PolarHBondContact O-N 3.5Å; L398-V400 VanDerWaalsContact C-N 3.3Å; L398-V400 PolarHBondContact O-N 2.84Å; V400-V402 PolarHBondContact O-N 3.43Å; V400-R403 WeakPolarHBondContact O-CB 3.34Å; V400-R403 PolarHBondContact O-N 3.05Å; V400-A404 PolarHBondContact O-N 3.05Å
401T85.1Confident78.2Confident69 Ų6976.4 Ų76.442%0.42342%0.42SS..Hα-helixtrans-62.5-42.2176.4-62.60000112.3G397 L398 R403 A404 I405G397-T401 PolarHBondContact O-N 3.19Å; G397-T401 PolarHBondContact O-OG1 3.24Å; G397-T401 VanDerWaalsContact O-OG1 3.11Å; L398-T401 PolarHBondContact O-N 2.76Å; T401-R403 VanDerWaalsContact C-N 3.32Å; T401-R403 PolarHBondContact O-N 2.86Å; T401-A404 PolarHBondContact O-N 3.43Å; T401-I405 HydrophobicContact CG2-CD1 4.06Å; T401-I405 WeakPolarHBondContact O-CG1 3.43Å; T401-I405 PolarHBondContact O-N 3.32Å
402V83.9Confident80.5Confident9 Ų973.8 Ų73.86%0.05540%0.403CS..Hα-helixtrans-59.2-43.7173.3168.60000110.9W261 Y264 L394 L398 V400 A404 I405 C406W261-V402 HydrophobicContact CZ3-CB 4.36Å; W261-V402 HydrophobicContact CZ3-CG1 4.11Å; Y264-V402 HydrophobicContact CD1-CG1 3.88Å; Y264-V402 HydrophobicContact CD2-CG1 3.76Å; Y264-V402 HydrophobicContact CE1-CG1 4.14Å; Y264-V402 HydrophobicContact CE2-CG1 4.05Å; Y264-V402 HydrophobicContact CG-CG1 3.7Å; L394-V402 HydrophobicContact CD2-CG2 4.36Å; L398-V402 WeakPolarHBondContact O-CG2 3.34Å; L398-V402 PolarHBondContact O-N 2.98Å; V400-V402 PolarHBondContact O-N 3.43Å; V402-A404 PolarHBondContact O-N 3.15Å; V402-I405 PolarHBondContact O-N 3.28Å; V402-C406 PolarHBondContact O-N 3.1Å; V402-C406 PolarHBondContact O-SG 3.03Å; V402-C406 VanDerWaalsContact O-SG 3.39Å
403R85.2Confident82.6Confident79 Ų7966.9 Ų66.930%0.29837%0.374SS..Hα-helixtrans-61.1-43.2174.3-173.6-177.3-176.31698.6112.2T250 N251 K399 V400 T401 C406 V407T250-R403 VanDerWaalsContact O-CD 3.31Å; T250-R403 WeakPolarHBondContact O-CD 3.46Å; T250-R403 WeakPolarHBondContact O-CG 3.29Å; N251-R403 PolarHBondContact OD1-NH2 2.98Å; K399-R403 PolarHBondContact O-N 3.45Å; K399-R403 VanDerWaalsContact O-N 3.13Å; V400-R403 WeakPolarHBondContact O-CB 3.34Å; V400-R403 PolarHBondContact O-N 3.05Å; T401-R403 VanDerWaalsContact C-N 3.32Å; T401-R403 PolarHBondContact O-N 2.86Å; R403-C406 WeakPolarHBondContact O-CB 3.05Å; R403-C406 PolarHBondContact O-N 2.86Å; R403-V407 WeakPolarHBondContact O-CG2 3.48Å; R403-V407 PolarHBondContact O-N 3.28Å
404A87.4Confident84.2Confident46 Ų4665.5 Ų65.538%0.3837%0.366SS..Hα-helixtrans-61.9-42.8176.800000112.1V400 T401 V402 C406 V407 M408V400-A404 PolarHBondContact O-N 3.05Å; T401-A404 PolarHBondContact O-N 3.43Å; V402-A404 PolarHBondContact O-N 3.15Å; A404-C406 VanDerWaalsContact C-N 3.3Å; A404-C406 PolarHBondContact O-N 3.33Å; A404-V407 PolarHBondContact O-N 2.94Å; A404-M408 WeakPolarHBondContact O-CG 3.31Å; A404-M408 PolarHBondContact O-N 3.04Å
405I87.9Confident85.5Confident73 Ų7372.7 Ų72.737%0.37439%0.392SS..Hα-helixtrans-61.4-38.7173.6-67.6164.3000111.1T401 V402 M408 K409T401-I405 HydrophobicContact CG2-CD1 4.06Å; T401-I405 WeakPolarHBondContact O-CG1 3.43Å; T401-I405 PolarHBondContact O-N 3.32Å; V402-I405 PolarHBondContact O-N 3.28Å; I405-M408 PolarHBondContact O-N 3.28Å; I405-K409 HydrophobicContact CG2-CD 4.07Å; I405-K409 WeakPolarHBondContact O-CB 3.35Å; I405-K409 WeakPolarHBondContact O-CG 3.15Å; I405-K409 PolarHBondContact O-N 2.86Å
406C87.4Confident85.9Confident4 Ų477 Ų773%0.02740%0.398CS..Hα-helixtrans-68.2-38.2175.2-72.50000112.9T250 Y264 V402 R403 A404 K409 F410T250-C406 HydrophobicContact CG2-CB 4.27Å; Y264-C406 PolarHBondContact OH-SG 3.08Å; V402-C406 PolarHBondContact O-N 3.1Å; V402-C406 PolarHBondContact O-SG 3.03Å; V402-C406 VanDerWaalsContact O-SG 3.39Å; R403-C406 WeakPolarHBondContact O-CB 3.05Å; R403-C406 PolarHBondContact O-N 2.86Å; A404-C406 VanDerWaalsContact C-N 3.3Å; A404-C406 PolarHBondContact O-N 3.33Å; C406-K409 PolarHBondContact O-N 2.91Å; C406-F410 WeakPolarHBondContact O-CB 3.16Å; C406-F410 PolarHBondContact O-N 2.87Å
407V89.3Confident86.6Confident48 Ų4874.7 Ų74.729%0.29138%0.377SS..Hα-helixtrans-61.6-48.9171.4171.50000110.8F247 R403 A404 K409 F410 L411F247-V407 HydrophobicContact CD2-CG2 3.65Å; F247-V407 HydrophobicContact CE2-CG2 3.62Å; R403-V407 WeakPolarHBondContact O-CG2 3.48Å; R403-V407 PolarHBondContact O-N 3.28Å; A404-V407 PolarHBondContact O-N 2.94Å; V407-K409 PolarHBondContact O-N 3.43Å; V407-F410 PolarHBondContact O-N 2.88Å; V407-L411 HydrophobicContact CG1-CD1 3.96Å; V407-L411 HydrophobicContact CG1-CG 4.41Å; V407-L411 WeakPolarHBondContact O-CG 2.71Å; V407-L411 PolarHBondContact O-N 3.15Å
408M89.3Confident87Confident129 Ų12979.9 Ų79.964%0.63539%0.386SS*.Hα-helixtrans-59.4-45.6177-71.4-179.6176.100111.6A404 I405 F410 L411 V412A404-M408 WeakPolarHBondContact O-CG 3.31Å; A404-M408 PolarHBondContact O-N 3.04Å; I405-M408 PolarHBondContact O-N 3.28Å; M408-F410 PolarHBondContact O-N 2.93Å; M408-L411 PolarHBondContact O-N 3.44Å; M408-V412 WeakPolarHBondContact O-CB 3.4Å; M408-V412 WeakPolarHBondContact O-CG2 3.49Å; M408-V412 PolarHBondContact O-N 3.4Å
409K88.1Confident87Confident122 Ų12279.7 Ų79.753%0.5338%0.383SS..Hα-helixtrans-62.4-39.9176.1-75.9175.5178.8175.50112.3I405 C406 V407 S413I405-K409 HydrophobicContact CG2-CD 4.07Å; I405-K409 WeakPolarHBondContact O-CB 3.35Å; I405-K409 WeakPolarHBondContact O-CG 3.15Å; I405-K409 PolarHBondContact O-N 2.86Å; C406-K409 PolarHBondContact O-N 2.91Å; V407-K409 PolarHBondContact O-N 3.43Å; K409-S413 WeakPolarHBondContact O-CB 3.44Å; K409-S413 PolarHBondContact O-N 3.03Å; K409-S413 PolarHBondContact O-OG 3.08Å; K409-S413 VanDerWaalsContact O-OG 3.13Å
410F92.6Very high86.8Confident45 Ų4579.3 Ų79.320%0.19738%0.384CS..Hα-helixtrans-62.9-46173.4168-110.4000112.4L240 A243 A244 F247 C406 V407 M408 S413 K414L240-F410 HydrophobicContact CD1-CD2 3.99Å; L240-F410 HydrophobicContact CD1-CE2 3.75Å; A243-F410 HydrophobicContact CB-CB 4.38Å; A244-F410 HydrophobicContact CB-CD2 3.98Å; A244-F410 HydrophobicContact CB-CE2 3.82Å; F247-F410 HydrophobicContact CB-CB 4.23Å; F247-F410 HydrophobicContact CB-CG 4.45Å; F247-F410 HydrophobicContact CD1-CD1 4.48Å; C406-F410 WeakPolarHBondContact O-CB 3.16Å; C406-F410 PolarHBondContact O-N 2.87Å; V407-F410 PolarHBondContact O-N 2.88Å; M408-F410 PolarHBondContact O-N 2.93Å; F410-S413 PolarHBondContact O-N 2.84Å; F410-K414 HydrophobicContact CZ-CD 4.34Å; F410-K414 WeakPolarHBondContact O-CB 3.25Å; F410-K414 PolarHBondContact O-N 3.27Å
411L91.6Very high86.1Confident97 Ų9779.7 Ų79.751%0.50838%0.383SS..Hα-helixtrans-63.9-41.8177.9-68.5173.3000112V407 M408 K414 R415V407-L411 HydrophobicContact CG1-CD1 3.96Å; V407-L411 HydrophobicContact CG1-CG 4.41Å; V407-L411 WeakPolarHBondContact O-CG 2.71Å; V407-L411 PolarHBondContact O-N 3.15Å; M408-L411 PolarHBondContact O-N 3.44Å; L411-K414 PolarHBondContact O-N 3Å; L411-R415 WeakPolarHBondContact O-CB 3.42Å; L411-R415 PolarHBondContact O-N 3.25Å
412V91.6Very high85.3Confident78 Ų7883.7 Ų83.747%0.47339%0.39SS..Hα-helixtrans-64.6-42.6174.2171.10000111.5M408 R415 R416M408-V412 WeakPolarHBondContact O-CB 3.4Å; M408-V412 WeakPolarHBondContact O-CG2 3.49Å; M408-V412 PolarHBondContact O-N 3.4Å; V412-R415 PolarHBondContact O-N 2.81Å; V412-R416 WeakPolarHBondContact O-CB 3.33Å; V412-R416 WeakPolarHBondContact O-CG 3.15Å; V412-R416 PolarHBondContact O-N 2.86Å
413S89.1Confident84.3Confident28 Ų2888 Ų8820%0.19642%0.418CS..Hα-helixtrans-65.6-36.6174.6-69.10000112.6K409 F410 F417K409-S413 WeakPolarHBondContact O-CB 3.44Å; K409-S413 PolarHBondContact O-N 3.03Å; K409-S413 PolarHBondContact O-OG 3.08Å; K409-S413 VanDerWaalsContact O-OG 3.13Å; F410-S413 PolarHBondContact O-N 2.84Å; S413-F417 WeakPolarHBondContact O-CB 3.5Å; S413-F417 PolarHBondContact O-N 2.87Å
414K90.6Very high83.2Confident117 Ų11791 Ų9151%0.50943%0.431SS..Hα-helixtrans-66.2-41.7174.9-175.2-179.8179.2-1780111.2L240 F410 L411 K418L240-K414 HydrophobicContact CD1-CB 3.96Å; F410-K414 HydrophobicContact CZ-CD 4.34Å; F410-K414 WeakPolarHBondContact O-CB 3.25Å; F410-K414 PolarHBondContact O-N 3.27Å; L411-K414 PolarHBondContact O-N 3Å; K414-K418 WeakPolarHBondContact O-CB 3.41Å; K414-K418 PolarHBondContact O-N 3.37Å
415R87.9Confident82.2Confident165 Ų16593 Ų9362%0.62344%0.435SS*.Hα-helixtrans-61.6-54.3173.2177169.9170.9164.92.7111L411 V412 F417 K418 E419L411-R415 WeakPolarHBondContact O-CB 3.42Å; L411-R415 PolarHBondContact O-N 3.25Å; V412-R415 PolarHBondContact O-N 2.81Å; R415-F417 VanDerWaalsContact C-N 3.29Å; R415-F417 PolarHBondContact O-N 3.25Å; R415-K418 PolarHBondContact O-N 3.43Å; R415-E419 HydrophobicContact CG-CG 4.39Å; R415-E419 WeakPolarHBondContact CG-OE1 3.37Å; R415-E419 IonicContact CZ-OE1 3.29Å; R415-E419 VanDerWaalsContact CZ-OE1 3.32Å; R415-E419 IonicContact NE-OE1 2.63Å; R415-E419 PolarHBondContact NE-OE1 3.35Å; R415-E419 IonicContact NH2-OE1 2.73Å; R415-E419 PolarHBondContact NH2-OE1 2.96Å; R415-E419 WeakPolarHBondContact O-CG 3.3Å; R415-E419 PolarHBondContact O-N 2.87Å
416R84.2Confident81.4Confident168 Ų16894.4 Ų94.463%0.63445%0.447SS*.Hα-helixtrans-59.1-35.2177.6-74.5-178.2174-164.6-3.1113.9V412 E419 S420V412-R416 WeakPolarHBondContact O-CB 3.33Å; V412-R416 WeakPolarHBondContact O-CG 3.15Å; V412-R416 PolarHBondContact O-N 2.86Å; R416-E419 VanDerWaalsContact CA-OE2 3.3Å; R416-E419 WeakPolarHBondContact CA-OE2 3.5Å; R416-E419 PolarHBondContact N-OE2 3.14Å; R416-S420 VanDerWaalsContact O-CB 3.31Å; R416-S420 WeakPolarHBondContact O-CB 3.49Å; R416-S420 PolarHBondContact O-N 3.12Å; R416-S420 PolarHBondContact O-OG 3.06Å
417F87.2Confident80.5Confident60 Ų60100.1 Ų100.126%0.26348%0.475SS..Hα-helixtrans-67.4-47.1172.5178.8-114.6000111.5P236 A237 L240 S413 R415 E419 S420 L421P236-F417 HydrophobicContact CB-CD2 4.49Å; A237-F417 HydrophobicContact CB-CD2 4.04Å; A237-F417 HydrophobicContact CB-CE2 3.75Å; L240-F417 HydrophobicContact CB-CB 4.32Å; L240-F417 HydrophobicContact CD2-CB 3.78Å; L240-F417 HydrophobicContact CD2-CD1 3.38Å; L240-F417 HydrophobicContact CD2-CE1 4.1Å; L240-F417 HydrophobicContact CD2-CG 3.67Å; S413-F417 WeakPolarHBondContact O-CB 3.5Å; S413-F417 PolarHBondContact O-N 2.87Å; R415-F417 VanDerWaalsContact C-N 3.29Å; R415-F417 PolarHBondContact O-N 3.25Å; F417-E419 VanDerWaalsContact C-N 3.34Å; F417-E419 PolarHBondContact O-N 3.2Å; F417-S420 WeakPolarHBondContact CA-OG 3.22Å; F417-S420 CarbonylContact O-C 3.58Å; F417-S420 PolarHBondContact O-N 2.75Å; F417-S420 VanDerWaalsContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 3.46Å; F417-L421 HydrophobicContact CD1-CD1 4.22Å; F417-L421 HydrophobicContact CE1-CD1 3.75Å; F417-L421 HydrophobicContact CE1-CG 4.38Å; F417-L421 HydrophobicContact CE2-CD2 4.31Å; F417-L421 HydrophobicContact CE2-CG 4.36Å; F417-L421 HydrophobicContact CZ-CD1 3.95Å; F417-L421 HydrophobicContact CZ-CD2 4.15Å; F417-L421 HydrophobicContact CZ-CG 4.19Å; F417-L421 WeakPolarHBondContact O-CG 3.34Å; F417-L421 PolarHBondContact O-N 2.98Å
418K84.4Confident79.8Confident159 Ų159100.1 Ų100.169%0.69147%0.473SS*.Hα-helixtrans-63.1-37.6177.3-169177.1-178.3-177.40112.6K414 R415 L421K414-K418 WeakPolarHBondContact O-CB 3.41Å; K414-K418 PolarHBondContact O-N 3.37Å; R415-K418 PolarHBondContact O-N 3.43Å; K418-L421 PolarHBondContact O-N 3Å
419E79.6Confident79.2Confident64 Ų6498.6 Ų98.630%0.29947%0.471SS..Hα-helixtrans-61.6-49.6170.5-72.2161.2161.700110.1R415 R416 F417 L421 R422R415-E419 HydrophobicContact CG-CG 4.39Å; R415-E419 WeakPolarHBondContact CG-OE1 3.37Å; R415-E419 IonicContact CZ-OE1 3.29Å; R415-E419 VanDerWaalsContact CZ-OE1 3.32Å; R415-E419 IonicContact NE-OE1 2.63Å; R415-E419 PolarHBondContact NE-OE1 3.35Å; R415-E419 IonicContact NH2-OE1 2.73Å; R415-E419 PolarHBondContact NH2-OE1 2.96Å; R415-E419 WeakPolarHBondContact O-CG 3.3Å; R415-E419 PolarHBondContact O-N 2.87Å; R416-E419 VanDerWaalsContact CA-OE2 3.3Å; R416-E419 WeakPolarHBondContact CA-OE2 3.5Å; R416-E419 PolarHBondContact N-OE2 3.14Å; F417-E419 VanDerWaalsContact C-N 3.34Å; F417-E419 PolarHBondContact O-N 3.2Å; E419-L421 PolarHBondContact O-N 3.07Å; E419-R422 WeakPolarHBondContact O-CB 3.49Å; E419-R422 PolarHBondContact O-N 3.36Å
420S75.2Confident78.8Confident24 Ų2497.2 Ų97.217%0.16847%0.468CS..Hα-helixtrans-62.6-15.4177.578.90000114.9R233 R416 F417R233-S420 WeakPolarHBondContact CD-O 3.47Å; R233-S420 VanDerWaalsContact CG-O 3.25Å; R233-S420 WeakPolarHBondContact CG-O 3.07Å; R233-S420 PolarHBondContact NE-O 3.39Å; R233-S420 PolarHBondContact NH1-O 3.14Å; R233-S420 PolarHBondContact NH2-O 3.3Å; R416-S420 VanDerWaalsContact O-CB 3.31Å; R416-S420 WeakPolarHBondContact O-CB 3.49Å; R416-S420 PolarHBondContact O-N 3.12Å; R416-S420 PolarHBondContact O-OG 3.06Å; F417-S420 WeakPolarHBondContact CA-OG 3.22Å; F417-S420 CarbonylContact O-C 3.58Å; F417-S420 PolarHBondContact O-N 2.75Å; F417-S420 VanDerWaalsContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 3.46Å
421L71.1Confident78.3Confident89 Ų89100.1 Ų100.147%0.46648%0.482SS..Hα-helixtrans-81.4-24.6175.1-74.2175000113.4R233 F417 K418 E419R233-L421 VanDerWaalsContact NH1-C 3.35Å; R233-L421 PolarHBondContact NH1-O 3.14Å; F417-L421 HydrophobicContact CD1-CD1 4.22Å; F417-L421 HydrophobicContact CE1-CD1 3.75Å; F417-L421 HydrophobicContact CE1-CG 4.38Å; F417-L421 HydrophobicContact CE2-CD2 4.31Å; F417-L421 HydrophobicContact CE2-CG 4.36Å; F417-L421 HydrophobicContact CZ-CD1 3.95Å; F417-L421 HydrophobicContact CZ-CD2 4.15Å; F417-L421 HydrophobicContact CZ-CG 4.19Å; F417-L421 WeakPolarHBondContact O-CG 3.34Å; F417-L421 PolarHBondContact O-N 2.98Å; K418-L421 PolarHBondContact O-N 3Å; E419-L421 PolarHBondContact O-N 3.07Å
422R68.2Low77.8Confident154 Ų154103 Ų10358%0.58149%0.493SS*.SBendtrans-56.2142.9177.7-69.8179.2168.2167.3-6.7110.7R233 E419R233-R422 PolarHBondContact NH2-O 2.99Å; E419-R422 WeakPolarHBondContact O-CB 3.49Å; E419-R422 PolarHBondContact O-N 3.36Å
423P61.6Low77.5Confident99 Ų99106.9 Ų106.964%0.64350%0.501SS*.PPolyproline II helixtrans-60.7151.2166.929.7-34.5000109.2D425P423-D425 PolarHBondContact O-N 3.18Å
424Y63.8Low77.4Confident142 Ų142108.4 Ų108.456%0.55751%0.511SS*.PPolyproline II helixtrans-66.2123.9173.5-101.5-82000109.1H229 D428H229-Y424 HydrophobicContact CB-CD2 3.96Å; H229-Y424 HydrophobicContact CB-CE2 3.77Å; H229-Y424 AromaticContact CG-CE2 3.81Å; H229-Y424 AromaticContact ND1-CD2 3.38Å; H229-Y424 WeakPolarHBondContact ND1-CD2 3.31Å; H229-Y424 AromaticContact ND1-CE2 3.09Å; H229-Y424 WeakPolarHBondContact ND1-CE2 3.31Å; H229-Y424 AromaticContact ND1-CZ 3.59Å; Y424-D428 VanDerWaalsContact CA-OD2 3.25Å; Y424-D428 WeakPolarHBondContact CA-OD2 3.36Å; Y424-D428 HydrophobicContact CD1-CB 4.18Å; Y424-D428 WeakPolarHBondContact CD1-OD2 3.33Å; Y424-D428 HydrophobicContact CE1-CB 4.41Å
425D65.6Low77.1Confident88 Ų88105.6 Ų105.647%0.47151%0.51SS..  trans-124.4162-172-169.67.2000110.7P423 M427 D428P423-D425 PolarHBondContact O-N 3.18Å; D425-M427 HydrophobicContact CB-CB 4.3Å; D425-M427 PolarHBondContact O-N 2.71Å; D425-M427 WeakPolarHBondContact OD2-CG 3.49Å; D425-D428 PolarHBondContact N-OD2 3.12Å; D425-D428 WeakPolarHBondContact O-CB 3.27Å; D425-D428 PolarHBondContact O-N 3.32Å
426V70.3Confident77.3Confident103 Ų10399.7 Ų99.762%0.62450%0.5SS*.Hα-helixtrans-58.5-30.3171-1750000110.2D428 V429 I430V426-D428 VanDerWaalsContact C-N 3.27Å; V426-D428 PolarHBondContact O-N 3.34Å; V426-V429 WeakPolarHBondContact O-CB 3.45Å; V426-V429 PolarHBondContact O-N 3Å; V426-I430 HydrophobicContact CG1-CD1 4.35Å; V426-I430 PolarHBondContact O-N 3.46Å; V426-I430 VanDerWaalsContact O-N 3.11Å
427M69.1Low77.8Confident124 Ų12495.2 Ų95.261%0.61149%0.486SS*.Hα-helixtrans-57.9-32.2171.2-67.1-64.4-178.600113.7D425 V429 I430 E431D425-M427 HydrophobicContact CB-CB 4.3Å; D425-M427 PolarHBondContact O-N 2.71Å; D425-M427 WeakPolarHBondContact OD2-CG 3.49Å; M427-V429 VanDerWaalsContact C-N 3.31Å; M427-V429 PolarHBondContact O-N 3.15Å; M427-I430 PolarHBondContact O-N 3.09Å; M427-I430 HydrophobicContact SD-CD1 4.21Å; M427-E431 WeakPolarHBondContact O-CB 3.38Å; M427-E431 PolarHBondContact O-N 3.28Å
428D75.1Confident78Confident47 Ų4798.1 Ų98.125%0.25150%0.504SS..Hα-helixtrans-68.7-32.4175.3-64.6-52.5000111.6Y424 D425 V426 Q432Y424-D428 VanDerWaalsContact CA-OD2 3.25Å; Y424-D428 WeakPolarHBondContact CA-OD2 3.36Å; Y424-D428 HydrophobicContact CD1-CB 4.18Å; Y424-D428 WeakPolarHBondContact CD1-OD2 3.33Å; Y424-D428 HydrophobicContact CE1-CB 4.41Å; D425-D428 PolarHBondContact N-OD2 3.12Å; D425-D428 WeakPolarHBondContact O-CB 3.27Å; D425-D428 PolarHBondContact O-N 3.32Å; V426-D428 VanDerWaalsContact C-N 3.27Å; V426-D428 PolarHBondContact O-N 3.34Å; D428-Q432 VanDerWaalsContact O-CB 3.23Å; D428-Q432 WeakPolarHBondContact O-CB 3.38Å; D428-Q432 PolarHBondContact O-N 3.23Å
429V76.3Confident78.4Confident98 Ų9894.1 Ų94.159%0.59449%0.49SS*.Hα-helixtrans-69.4-38.8174.9-173.50000110V426 M427 Y433V426-V429 WeakPolarHBondContact O-CB 3.45Å; V426-V429 PolarHBondContact O-N 3Å; M427-V429 VanDerWaalsContact C-N 3.31Å; M427-V429 PolarHBondContact O-N 3.15Å; V429-Y433 VanDerWaalsContact O-CB 3.22Å; V429-Y433 WeakPolarHBondContact O-CB 3.16Å; V429-Y433 PolarHBondContact O-N 3Å
430I80.3Confident79Confident92 Ų9295.6 Ų95.647%0.47250%0.498SS..Hα-helixtrans-70-40.3175.7-62.3167.6000111.1V426 M427 Y433 S434V426-I430 HydrophobicContact CG1-CD1 4.35Å; V426-I430 PolarHBondContact O-N 3.46Å; V426-I430 VanDerWaalsContact O-N 3.11Å; M427-I430 PolarHBondContact O-N 3.09Å; M427-I430 HydrophobicContact SD-CD1 4.21Å; I430-Y433 PolarHBondContact O-N 3.42Å; I430-S434 VanDerWaalsContact O-CB 3.28Å; I430-S434 WeakPolarHBondContact O-CB 3.34Å; I430-S434 PolarHBondContact O-N 3.22Å; I430-S434 PolarHBondContact O-OG 3.47Å
431E81.8Confident79.9Confident106 Ų10697.8 Ų97.850%0.49551%0.508SS..Hα-helixtrans-67-41.7175.1-169.7167.4179.900111M427 S434 A435M427-E431 WeakPolarHBondContact O-CB 3.38Å; M427-E431 PolarHBondContact O-N 3.28Å; E431-S434 WeakPolarHBondContact CA-OG 3.48Å; E431-S434 PolarHBondContact O-OG 3.09Å; E431-A435 WeakPolarHBondContact O-CB 3.06Å; E431-A435 PolarHBondContact O-N 3.25Å
432Q80.8Confident80.8Confident158 Ų15897.2 Ų97.274%0.73851%0.511SS*.Hα-helixtrans-66.2-42.3174-175.5174.6-24.900112.4D428 G436D428-Q432 VanDerWaalsContact O-CB 3.23Å; D428-Q432 WeakPolarHBondContact O-CB 3.38Å; D428-Q432 PolarHBondContact O-N 3.23Å; Q432-G436 PolarHBondContact O-N 2.63Å
433Y85.4Confident82Confident160 Ų16097.6 Ų97.663%0.62751%0.512SS*.Hα-helixtrans-64.8-48.6176.9178.2-97.2000111.4V429 I430 A435 G436 H437V429-Y433 VanDerWaalsContact O-CB 3.22Å; V429-Y433 WeakPolarHBondContact O-CB 3.16Å; V429-Y433 PolarHBondContact O-N 3Å; I430-Y433 PolarHBondContact O-N 3.42Å; Y433-A435 PolarHBondContact O-N 3.02Å; Y433-G436 PolarHBondContact O-N 2.99Å; Y433-H437 HydrophobicContact CE1-CB 4.38Å; Y433-H437 WeakPolarHBondContact O-CB 3.24Å; Y433-H437 PolarHBondContact O-N 3.4Å
434S86.6Confident83.6Confident60 Ų6096.9 Ų96.942%0.4250%0.502SS..Hα-helixtrans-64.6-38.5179.256.20000112.4I430 E431 L438I430-S434 VanDerWaalsContact O-CB 3.28Å; I430-S434 WeakPolarHBondContact O-CB 3.34Å; I430-S434 PolarHBondContact O-N 3.22Å; I430-S434 PolarHBondContact O-OG 3.47Å; E431-S434 WeakPolarHBondContact CA-OG 3.48Å; E431-S434 PolarHBondContact O-OG 3.09Å; S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.46Å
435A85.8Confident85Confident58 Ų5897.1 Ų97.148%0.47951%0.506SS..Hα-helixtrans-64.1-45.2172.900000112.5E431 Y433 L438 D439E431-A435 WeakPolarHBondContact O-CB 3.06Å; E431-A435 PolarHBondContact O-N 3.25Å; Y433-A435 PolarHBondContact O-N 3.02Å; A435-L438 PolarHBondContact O-N 3.12Å; A435-D439 PolarHBondContact O-N 3.11Å
436G91.9Very high86.2Confident41 Ų4196.8 Ų96.842%0.42350%0.504SS..Hα-helixtrans-65.7-42.4177.400000113Q432 Y433 D439 M440Q432-G436 PolarHBondContact O-N 2.63Å; Y433-G436 PolarHBondContact O-N 2.99Å; G436-D439 PolarHBondContact O-N 3.15Å; G436-M440 WeakPolarHBondContact O-CB 3.32Å; G436-M440 PolarHBondContact O-N 3.28Å
437H93.2Very high87.3Confident73 Ų7397 Ų9734%0.33850%0.501SS..Hα-helixtrans-66.5-37176-171.6-99.8000111.8Y433 M440 L441Y433-H437 HydrophobicContact CE1-CB 4.38Å; Y433-H437 WeakPolarHBondContact O-CB 3.24Å; Y433-H437 PolarHBondContact O-N 3.4Å; H437-M440 PolarHBondContact O-N 2.94Å; H437-L441 WeakPolarHBondContact O-CB 3.22Å; H437-L441 VanDerWaalsContact O-CG 3.31Å; H437-L441 WeakPolarHBondContact O-CG 3.25Å; H437-L441 PolarHBondContact O-N 3.4Å
438L92.1Very high88.2Confident121 Ų12196.1 Ų96.163%0.63450%0.495SS*.Hα-helixtrans-68.8-41.5175.7-176.164.4000112.4S434 A435 L441 C442S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.46Å; A435-L438 PolarHBondContact O-N 3.12Å; L438-L441 PolarHBondContact O-N 2.98Å; L438-C442 VanDerWaalsContact O-CB 3.29Å; L438-C442 WeakPolarHBondContact O-CB 3.3Å; L438-C442 PolarHBondContact O-N 3.11Å
439D93.3Very high88.8Confident76 Ų7697.6 Ų97.641%0.40651%0.509SS..Hα-helixtrans-63.7-44.7172.7179.425.4000110.9A435 G436 L441 C442 R443A435-D439 PolarHBondContact O-N 3.11Å; G436-D439 PolarHBondContact O-N 3.15Å; D439-L441 PolarHBondContact O-N 2.92Å; D439-C442 WeakPolarHBondContact O-CB 3.33Å; D439-C442 PolarHBondContact O-N 3.31Å; D439-R443 VanDerWaalsContact CG-NE 3.3Å; D439-R443 VanDerWaalsContact O-CG 3.27Å; D439-R443 WeakPolarHBondContact O-CG 3.47Å; D439-R443 PolarHBondContact O-N 3.41Å; D439-R443 IonicContact OD1-CZ 3.31Å; D439-R443 IonicContact OD1-NE 3.22Å; D439-R443 PolarHBondContact OD1-NE 3.44Å; D439-R443 IonicContact OD1-NH2 2.68Å; D439-R443 IonicContact OD2-CZ 2.66Å; D439-R443 VanDerWaalsContact OD2-CZ 3.31Å; D439-R443 IonicContact OD2-NE 3.68Å; D439-R443 PolarHBondContact OD2-NE 3.34Å; D439-R443 IonicContact OD2-NH2 2.87Å; D439-R443 PolarHBondContact OD2-NH2 3.43Å
440M91.6Very high89.3Confident94 Ų9499.8 Ų99.846%0.46351%0.507SS..Hα-helixtrans-57.5-48.7173.4-173.1-176.875.100112.1G436 H437 C442 R443 I444G436-M440 WeakPolarHBondContact O-CB 3.32Å; G436-M440 PolarHBondContact O-N 3.28Å; H437-M440 PolarHBondContact O-N 2.94Å; M440-C442 VanDerWaalsContact C-N 3.32Å; M440-C442 PolarHBondContact O-N 2.78Å; M440-R443 PolarHBondContact O-N 2.95Å; M440-I444 HydrophobicContact CE-CD1 4.49Å; M440-I444 HydrophobicContact CG-CD1 3.93Å; M440-I444 VanDerWaalsContact O-CG1 3.29Å; M440-I444 WeakPolarHBondContact O-CG1 3.42Å; M440-I444 PolarHBondContact O-N 3.32Å
441L93.6Very high89.8Confident70 Ų7099.4 Ų99.437%0.36651%0.505SS..Hα-helixtrans-61.4-37.9175.2-78.5173.5000112.6H437 L438 D439 I444 K445H437-L441 WeakPolarHBondContact O-CB 3.22Å; H437-L441 VanDerWaalsContact O-CG 3.31Å; H437-L441 WeakPolarHBondContact O-CG 3.25Å; H437-L441 PolarHBondContact O-N 3.4Å; L438-L441 PolarHBondContact O-N 2.98Å; D439-L441 PolarHBondContact O-N 2.92Å; L441-I444 PolarHBondContact O-N 3.14Å; L441-K445 WeakPolarHBondContact O-CB 3.39Å; L441-K445 WeakPolarHBondContact O-CG 3.4Å; L441-K445 PolarHBondContact O-N 2.88Å
442C91.6Very high89.7Confident78 Ų7898.6 Ų98.653%0.52750%0.504SS..Hα-helixtrans-64.9-44.1176.7-169.90000111.2L438 D439 M440 K445 N446L438-C442 VanDerWaalsContact O-CB 3.29Å; L438-C442 WeakPolarHBondContact O-CB 3.3Å; L438-C442 PolarHBondContact O-N 3.11Å; D439-C442 WeakPolarHBondContact O-CB 3.33Å; D439-C442 PolarHBondContact O-N 3.31Å; M440-C442 VanDerWaalsContact C-N 3.32Å; M440-C442 PolarHBondContact O-N 2.78Å; C442-K445 PolarHBondContact O-N 3.41Å; C442-N446 WeakPolarHBondContact O-CB 3.37Å; C442-N446 PolarHBondContact O-N 2.9Å
443R93Very high89.6Confident162 Ų16298.4 Ų98.461%0.61151%0.505SS*.Hα-helixtrans-62.6-43.7174-66.3167.4-170.3-144.610.8111.9D439 M440 N446 L447D439-R443 VanDerWaalsContact CG-NE 3.3Å; D439-R443 VanDerWaalsContact O-CG 3.27Å; D439-R443 WeakPolarHBondContact O-CG 3.47Å; D439-R443 PolarHBondContact O-N 3.41Å; D439-R443 IonicContact OD1-CZ 3.31Å; D439-R443 IonicContact OD1-NE 3.22Å; D439-R443 PolarHBondContact OD1-NE 3.44Å; D439-R443 IonicContact OD1-NH2 2.68Å; D439-R443 IonicContact OD2-CZ 2.66Å; D439-R443 VanDerWaalsContact OD2-CZ 3.31Å; D439-R443 IonicContact OD2-NE 3.68Å; D439-R443 PolarHBondContact OD2-NE 3.34Å; D439-R443 IonicContact OD2-NH2 2.87Å; D439-R443 PolarHBondContact OD2-NH2 3.43Å; M440-R443 PolarHBondContact O-N 2.95Å; R443-N446 PolarHBondContact O-N 3.46Å; R443-L447 WeakPolarHBondContact O-CB 3.27Å; R443-L447 PolarHBondContact O-N 2.93Å
444I94.1Very high89.4Confident84 Ų8497.5 Ų97.543%0.43151%0.509SS..Hα-helixtrans-61.6-45.8175.9-69.5165.1000110.5M440 L441 N446 L447 Q448M440-I444 HydrophobicContact CE-CD1 4.49Å; M440-I444 HydrophobicContact CG-CD1 3.93Å; M440-I444 VanDerWaalsContact O-CG1 3.29Å; M440-I444 WeakPolarHBondContact O-CG1 3.42Å; M440-I444 PolarHBondContact O-N 3.32Å; L441-I444 PolarHBondContact O-N 3.14Å; I444-N446 PolarHBondContact O-N 2.77Å; I444-L447 PolarHBondContact O-N 3.25Å; I444-Q448 WeakPolarHBondContact O-CB 3.42Å; I444-Q448 PolarHBondContact O-N 3.36Å
445K93.2Very high88.8Confident147 Ų147100 Ų10064%0.63952%0.522SS*.Hα-helixtrans-65.7-35.6176.7-76.4-173.6173.4-171.40113.3L441 C442 S449L441-K445 WeakPolarHBondContact O-CB 3.39Å; L441-K445 WeakPolarHBondContact O-CG 3.4Å; L441-K445 PolarHBondContact O-N 2.88Å; C442-K445 PolarHBondContact O-N 3.41Å; K445-S449 VanDerWaalsContact O-CB 3.27Å; K445-S449 WeakPolarHBondContact O-CB 3.2Å; K445-S449 PolarHBondContact O-N 2.93Å
446N91.7Very high87.9Confident81 Ų8198.7 Ų98.743%0.43351%0.514SS..Hα-helixtrans-66.9-42.3173.9-165.7-32.4000110.9C442 R443 I444 R450C442-N446 WeakPolarHBondContact O-CB 3.37Å; C442-N446 PolarHBondContact O-N 2.9Å; R443-N446 PolarHBondContact O-N 3.46Å; I444-N446 PolarHBondContact O-N 2.77Å; N446-R450 VanDerWaalsContact O-CG 3.25Å; N446-R450 WeakPolarHBondContact O-CG 3.26Å; N446-R450 PolarHBondContact O-N 3.46Å; N446-R450 PolarHBondContact OD1-NE 2.99Å
447L92.7Very high86.4Confident106 Ų106102.6 Ų102.656%0.55553%0.532SS*.Hα-helixtrans-64.3-44.9174.3-169.271.9000111.7R443 I444 R450 I451R443-L447 WeakPolarHBondContact O-CB 3.27Å; R443-L447 PolarHBondContact O-N 2.93Å; I444-L447 PolarHBondContact O-N 3.25Å; L447-R450 WeakPolarHBondContact O-CB 3.25Å; L447-R450 PolarHBondContact O-N 3.46Å; L447-I451 HydrophobicContact CD2-CD1 4.48Å; L447-I451 HydrophobicContact CG-CD1 4.02Å; L447-I451 VanDerWaalsContact O-CG1 3.31Å; L447-I451 WeakPolarHBondContact O-CG1 3.48Å; L447-I451 PolarHBondContact O-N 2.83Å
448Q88.4Confident84.5Confident107 Ų107104.7 Ų104.750%0.555%0.552SS.*Hα-helixtrans-61.4-49.1176.1-176.3173.54.700111I444 R450 I451 D452I444-Q448 WeakPolarHBondContact O-CB 3.42Å; I444-Q448 PolarHBondContact O-N 3.36Å; Q448-R450 PolarHBondContact O-N 2.97Å; Q448-I451 CarbonylContact O-C 3.58Å; Q448-I451 WeakPolarHBondContact O-CA 3.32Å; Q448-I451 PolarHBondContact O-N 3.39Å; Q448-D452 WeakPolarHBondContact O-CB 3.49Å; Q448-D452 PolarHBondContact O-N 3.44Å
449S86.9Confident82.5Confident77 Ų77104.1 Ų104.154%0.53856%0.555SS.*Hα-helixtrans-58.6-32.3175.7176.60000113.2K445 M453K445-S449 VanDerWaalsContact O-CB 3.27Å; K445-S449 WeakPolarHBondContact O-CB 3.2Å; K445-S449 PolarHBondContact O-N 2.93Å; S449-M453 WeakPolarHBondContact O-CB 3.41Å; S449-M453 PolarHBondContact O-N 3.48Å
450R88Confident80.3Confident145 Ų145106.8 Ų106.855%0.54758%0.577SS.*Hα-helixtrans-72.5-40.8172-70.9167.8-174.7-119.3-4.4112.1N446 L447 Q448 M453 I454N446-R450 VanDerWaalsContact O-CG 3.25Å; N446-R450 WeakPolarHBondContact O-CG 3.26Å; N446-R450 PolarHBondContact O-N 3.46Å; N446-R450 PolarHBondContact OD1-NE 2.99Å; L447-R450 WeakPolarHBondContact O-CB 3.25Å; L447-R450 PolarHBondContact O-N 3.46Å; Q448-R450 PolarHBondContact O-N 2.97Å; R450-M453 PolarHBondContact O-N 2.95Å; R450-I454 WeakPolarHBondContact O-CD1 2.99Å; R450-I454 VanDerWaalsContact O-CG1 3.22Å; R450-I454 WeakPolarHBondContact O-CG1 3.31Å; R450-I454 PolarHBondContact O-N 3.22Å
451I89.4Confident77.9Confident83 Ų83107.7 Ų107.743%0.42659%0.588SS.*Hα-helixtrans-64.4-47176.2-70.7164.6000110.4L447 Q448 M453 I454 V455L447-I451 HydrophobicContact CD2-CD1 4.48Å; L447-I451 HydrophobicContact CG-CD1 4.02Å; L447-I451 VanDerWaalsContact O-CG1 3.31Å; L447-I451 WeakPolarHBondContact O-CG1 3.48Å; L447-I451 PolarHBondContact O-N 2.83Å; Q448-I451 CarbonylContact O-C 3.58Å; Q448-I451 WeakPolarHBondContact O-CA 3.32Å; Q448-I451 PolarHBondContact O-N 3.39Å; I451-M453 PolarHBondContact O-N 3.17Å; I451-I454 CarbonylContact O-C 3.56Å; I451-I454 PolarHBondContact O-N 3.02Å; I451-V455 HydrophobicContact CG2-CG2 4.01Å; I451-V455 WeakPolarHBondContact O-CB 3.33Å; I451-V455 WeakPolarHBondContact O-CG2 3.39Å; I451-V455 PolarHBondContact O-N 3.4Å
452D81.3Confident75.3Confident89 Ų89111.3 Ų111.348%0.47661%0.613SS.*Hα-helixtrans-60.8-33.8177.9-62.2-23.4000111.4Q448 G456Q448-D452 WeakPolarHBondContact O-CB 3.49Å; Q448-D452 PolarHBondContact O-N 3.44Å; D452-G456 WeakPolarHBondContact O-CA 3.37Å; D452-G456 PolarHBondContact O-N 2.92Å
453M78.2Confident73.3Confident155 Ų155113.1 Ų113.176%0.76462%0.624SS**Hα-helixtrans-73.3-26.8173.3-17018074.600113.6S449 R450 I451S449-M453 WeakPolarHBondContact O-CB 3.41Å; S449-M453 PolarHBondContact O-N 3.48Å; R450-M453 PolarHBondContact O-N 2.95Å; I451-M453 PolarHBondContact O-N 3.17Å
454I79.8Confident70.4Confident141 Ų141116.7 Ų116.772%0.72364%0.637SS**Hα-helixtrans-85-39.6177.7-70.7162.7000111.6R450 I451R450-I454 WeakPolarHBondContact O-CD1 2.99Å; R450-I454 VanDerWaalsContact O-CG1 3.22Å; R450-I454 WeakPolarHBondContact O-CG1 3.31Å; R450-I454 PolarHBondContact O-N 3.22Å; I451-I454 CarbonylContact O-C 3.56Å; I451-I454 PolarHBondContact O-N 3.02Å
455V75.6Confident67.4Low112 Ų112120.9 Ų120.968%0.67966%0.655SS**Hα-helixtrans-79.2-36.5179.5175.80000111I451I451-V455 HydrophobicContact CG2-CG2 4.01Å; I451-V455 WeakPolarHBondContact O-CB 3.33Å; I451-V455 WeakPolarHBondContact O-CG2 3.39Å; I451-V455 PolarHBondContact O-N 3.4Å
456G65.5Low64.7Low30 Ų30123 Ų12331%0.30966%0.664SS.*  trans71.9172.9-178.200000114D452D452-G456 WeakPolarHBondContact O-CA 3.37Å; D452-G456 PolarHBondContact O-N 2.92Å
457P62.2Low61.8Low123 Ų123128.7 Ų128.780%0.79969%0.685SS**SBendtrans-64141.3169.8-17.231.3000110.4
458P52Low58.7Low117 Ų117128.7 Ų128.776%0.7669%0.694SS**PPolyproline II helixtrans-60.9137.8178.525-33.9000111.2
459P49.8Very low56.1Low109 Ų109129.1 Ų129.171%0.70870%0.704SS**PPolyproline II helixtrans-66.7134.2-173.825.5-34.1000111.8T461P459-T461 VanDerWaalsContact C-N 3.29Å; P459-T461 PolarHBondContact O-N 2.92Å
460P48.5Very low53.4Low133 Ų133134.6 Ų134.686%0.86472%0.721SS**  trans-8357.7-169.334.4-38.2000114
461T40.9Very low50.6Low113 Ų113131.2 Ų131.269%0.69373%0.731SS**  trans-147.497.1176.235.50000114.4P459P459-T461 VanDerWaalsContact C-N 3.29Å; P459-T461 PolarHBondContact O-N 2.92Å
462T38.6Very low48.6Very low146 Ų146133 Ų13390%0.89675%0.748SS**  -177.5151.9119.3250000111.7
463P48.5Very low46.2Very low116 Ų116139.2 Ų139.275%0.75377%0.765SS**  trans-118.3131.9-17037.2-24.4000115.2
464R32.9Very low43.9Very low237 Ų237138.7 Ų138.789%0.89477%0.765SS**  trans-147.1130.5160-81-155.6169.7-166.4-3.6115.7
465H31.7Very low41.5Very low172 Ų172135.8 Ų135.880%0.79677%0.77SS**  trans69.172.2147.9-75.8-84000123.5
466K36.1Very low39.8Very low190 Ų190140.3 Ų140.383%0.82678%0.784SS**  trans-36.4129.5141.3173.4-172.2-174.4177.20117.5
467K29.9Very low38.1Very low201 Ų201142 Ų14287%0.87480%0.802SS**  trans171.8149.6137.4-99.6-178.8177.2-172.20108.4
468S29.1Very low37Very low106 Ų106142.4 Ų142.474%0.74180%0.802SS**  cis-132.7147.3-1.942.10000108
469T33.1Very low36.7Very low116 Ų116145.7 Ų145.771%0.71281%0.807SS**  cis72.492.549.9-50.20000113.9
470E30.5Very low36.1Very low193 Ų193147.5 Ų147.590%0.90281%0.81SS**  -177.5160.4124.6-105.5-178.3-169.800113.3
471G29.1Very low36.5Very low74 Ų74148.1 Ų148.176%0.76380%0.802SS**  trans85.3119.615400000119.9
472P46.7Very low37.7Very low120 Ų120145.7 Ų145.778%0.77979%0.789SS**  trans-124.1149171.538.6-26.7000115
473R30.6Very low38.3Very low219 Ų219145.8 Ų145.883%0.82678%0.782SS**  170.4144.6118.7-97.8-177.7163.1155.70.8115.6
474D31.7Very low38.6Very low144 Ų144146.1 Ų146.177%0.7778%0.775SS**  trans47.7115.5139.9-45.7-23000120.1
475G28.4Very low40.2Very low81 Ų81136.8 Ų136.884%0.83575%0.752SS**  trans-179.286.6174.100000111.8
476E40.5Very low41.8Very low207 Ų207135 Ų13597%0.96774%0.738SS**  trans-72.7127.7176.7-173.6177.6175.800110.6
477G30Very low43.2Very low66 Ų66130.1 Ų130.168%0.6872%0.721SS**  trans-16789.8-172.300000115.1
478V39.1Very low45Very low131 Ų131124 Ų12479%0.79470%0.7SS**  trans40.2110.1152.5-171.60000117.8D480V478-D480 PolarHBondContact O-N 2.87Å; V478-D480 VanDerWaalsContact O-N 3.08Å
479E44.2Very low46.9Very low185 Ų185126.6 Ų126.686%0.86470%0.698SS**  trans-61.1109.3160.4-72.1-164.513800110.6Q481E479-Q481 PolarHBondContact O-N 3.47Å
480D38.3Very low48.9Very low147 Ų147124.8 Ų124.879%0.78669%0.687SS**  trans-72.5129.7-173-154.2-10.9000112.3V478 S482V478-D480 PolarHBondContact O-N 2.87Å; V478-D480 VanDerWaalsContact O-N 3.08Å; D480-S482 PolarHBondContact O-N 2.87Å
481Q56Low51Low146 Ų146120.8 Ų120.868%0.68267%0.668SS**  trans-79.638.4-166.9-62.4-169.71.600113.9E479 M483 R486E479-Q481 PolarHBondContact O-N 3.47Å; Q481-M483 PolarHBondContact O-N 2.8Å; Q481-R486 PolarHBondContact O-NE 3.33Å; Q481-R486 PolarHBondContact O-NH2 3.44Å
482S66.4Low53.3Low62 Ų62125 Ų12543%0.43467%0.665SS.*  trans-50.2135.1-173.71800000113D480 M484 G485 R486D480-S482 PolarHBondContact O-N 2.87Å; S482-M484 PolarHBondContact O-N 3.5Å; S482-M484 WeakPolarHBondContact OG-CB 3.46Å; S482-M484 PolarHBondContact OG-N 3.42Å; S482-M484 VanDerWaalsContact OG-N 3.17Å; S482-G485 PolarHBondContact O-N 3.23Å; S482-R486 PolarHBondContact O-N 3.4Å; S482-R486 VanDerWaalsContact O-N 3.14Å
483M52.4Low54.6Low149 Ų149126 Ų12673%0.73466%0.659SS**Hα-helixtrans-53.4-33.5169.6-73.4-76.9-77.100111.4Q481 R486 L487Q481-M483 PolarHBondContact O-N 2.8Å; M483-R486 PolarHBondContact O-N 3.14Å; M483-L487 WeakPolarHBondContact O-CB 3.42Å; M483-L487 PolarHBondContact O-N 3.39Å
484M54.8Low56.9Low123 Ų123119 Ų11961%0.60664%0.641SS**Hα-helixtrans-66.6-41.8175.5-165.567.676.900111.9S482 R486 L487 V488S482-M484 PolarHBondContact O-N 3.5Å; S482-M484 WeakPolarHBondContact OG-CB 3.46Å; S482-M484 PolarHBondContact OG-N 3.42Å; S482-M484 VanDerWaalsContact OG-N 3.17Å; M484-R486 VanDerWaalsContact C-N 3.29Å; M484-R486 PolarHBondContact O-N 2.87Å; M484-L487 PolarHBondContact O-N 3.06Å; M484-L487 HydrophobicContact SD-CD2 4.28Å; M484-V488 WeakPolarHBondContact O-CB 3.2Å; M484-V488 WeakPolarHBondContact O-CG2 3.27Å; M484-V488 PolarHBondContact O-N 3.5Å
485G65.3Low59Low40 Ų40118.5 Ų118.541%0.41263%0.632SS.*Hα-helixtrans-65.2-32.5176.300000113S482 K489S482-G485 PolarHBondContact O-N 3.23Å; G485-K489 PolarHBondContact O-N 3.19Å; G485-K489 VanDerWaalsContact O-N 3.17Å
486R64.8Low61.2Low136 Ų136117.9 Ų117.951%0.51361%0.614SS.*Hα-helixtrans-70.9-44.2170.7-73.1-177.5-108.2-166.1-7.2112Q481 S482 M483 M484 K489 V490Q481-R486 PolarHBondContact O-NE 3.33Å; Q481-R486 PolarHBondContact O-NH2 3.44Å; S482-R486 PolarHBondContact O-N 3.4Å; S482-R486 VanDerWaalsContact O-N 3.14Å; M483-R486 PolarHBondContact O-N 3.14Å; M484-R486 VanDerWaalsContact C-N 3.29Å; M484-R486 PolarHBondContact O-N 2.87Å; R486-K489 PolarHBondContact O-N 3.22Å; R486-V490 WeakPolarHBondContact O-CG2 3.48Å; R486-V490 PolarHBondContact O-N 2.87Å
487L67Low63.1Low87 Ų87113.2 Ų113.246%0.45559%0.594SS.*Hα-helixtrans-59.1-48.4175.5-177.861.9000111.4M483 M484 K489 V490 E491M483-L487 WeakPolarHBondContact O-CB 3.42Å; M483-L487 PolarHBondContact O-N 3.39Å; M484-L487 PolarHBondContact O-N 3.06Å; M484-L487 HydrophobicContact SD-CD2 4.28Å; L487-K489 VanDerWaalsContact C-N 3.31Å; L487-K489 PolarHBondContact O-N 3.13Å; L487-V490 CarbonylContact O-C 3.58Å; L487-V490 WeakPolarHBondContact O-CA 3.47Å; L487-V490 WeakPolarHBondContact O-CB 3.49Å; L487-V490 PolarHBondContact O-N 2.81Å; L487-E491 HydrophobicContact CD1-CG 4.47Å; L487-E491 HydrophobicContact CG-CG 4.45Å; L487-E491 WeakPolarHBondContact O-CG 3.38Å; L487-E491 PolarHBondContact O-N 2.89Å
488V66.8Low65.1Low73 Ų73114.3 Ų114.344%0.44258%0.584SS.*Hα-helixtrans-62.5-34.7177.3170.50000112.1M484 K492M484-V488 WeakPolarHBondContact O-CB 3.2Å; M484-V488 WeakPolarHBondContact O-CG2 3.27Å; M484-V488 PolarHBondContact O-N 3.5Å; V488-K492 WeakPolarHBondContact O-CB 3.46Å; V488-K492 PolarHBondContact O-N 3.4Å
489K70.1Confident67.1Low159 Ų159116.2 Ų116.269%0.69158%0.577SS**Hα-helixtrans-64.4-41.7170-86.9-179.9176.7171.50111.8G485 R486 L487 Q493G485-K489 PolarHBondContact O-N 3.19Å; G485-K489 VanDerWaalsContact O-N 3.17Å; R486-K489 PolarHBondContact O-N 3.22Å; L487-K489 VanDerWaalsContact C-N 3.31Å; L487-K489 PolarHBondContact O-N 3.13Å; K489-Q493 VanDerWaalsContact O-CB 3.32Å; K489-Q493 WeakPolarHBondContact O-CB 3.41Å; K489-Q493 PolarHBondContact O-N 3.06Å
490V75.2Confident68.8Low79 Ų79114.1 Ų114.148%0.47957%0.565SS.*Hα-helixtrans-66-47.2176.3172.10000111.4R486 L487 K492 Q493 V494R486-V490 WeakPolarHBondContact O-CG2 3.48Å; R486-V490 PolarHBondContact O-N 2.87Å; L487-V490 CarbonylContact O-C 3.58Å; L487-V490 WeakPolarHBondContact O-CA 3.47Å; L487-V490 WeakPolarHBondContact O-CB 3.49Å; L487-V490 PolarHBondContact O-N 2.81Å; V490-K492 VanDerWaalsContact C-N 3.33Å; V490-K492 PolarHBondContact O-N 2.94Å; V490-Q493 CarbonylContact O-C 3.55Å; V490-Q493 PolarHBondContact O-N 3.12Å; V490-Q493 VanDerWaalsContact O-N 3.12Å; V490-V494 HydrophobicContact CG1-CG2 4.21Å; V490-V494 WeakPolarHBondContact O-CB 3.25Å; V490-V494 WeakPolarHBondContact O-CG2 3.33Å; V490-V494 PolarHBondContact O-N 2.96Å
491E74.4Confident70.6Confident108 Ų108111.4 Ų111.451%0.50555%0.55SS..Hα-helixtrans-57.1-46.1175.6-70.5175.515100111.4L487 Q493 V494 F495L487-E491 HydrophobicContact CD1-CG 4.47Å; L487-E491 HydrophobicContact CG-CG 4.45Å; L487-E491 WeakPolarHBondContact O-CG 3.38Å; L487-E491 PolarHBondContact O-N 2.89Å; E491-Q493 VanDerWaalsContact C-N 3.29Å; E491-Q493 PolarHBondContact O-N 2.65Å; E491-V494 PolarHBondContact O-N 2.76Å; E491-F495 VanDerWaalsContact O-CB 3.32Å; E491-F495 WeakPolarHBondContact O-CB 3.44Å; E491-F495 PolarHBondContact O-N 2.65Å
492K77.6Confident71.3Confident162 Ų162108.7 Ų108.770%0.70454%0.54SS*.Hα-helixtrans-67.4-28.6178.3-159.1168.3-168.8171.90112.6V488 V490 C496V488-K492 WeakPolarHBondContact O-CB 3.46Å; V488-K492 PolarHBondContact O-N 3.4Å; V490-K492 VanDerWaalsContact C-N 3.33Å; V490-K492 PolarHBondContact O-N 2.94Å; K492-C496 VanDerWaalsContact O-CB 3.3Å; K492-C496 WeakPolarHBondContact O-CB 3.38Å; K492-C496 PolarHBondContact O-N 2.89Å
493Q73.3Confident72Confident142 Ų142112.6 Ų112.666%0.66455%0.549SS*.Hα-helixtrans-76.6-42.2172.7-176.2174.2-3.200112.1K489 V490 E491 C496 M497K489-Q493 VanDerWaalsContact O-CB 3.32Å; K489-Q493 WeakPolarHBondContact O-CB 3.41Å; K489-Q493 PolarHBondContact O-N 3.06Å; V490-Q493 CarbonylContact O-C 3.55Å; V490-Q493 PolarHBondContact O-N 3.12Å; V490-Q493 VanDerWaalsContact O-N 3.12Å; E491-Q493 VanDerWaalsContact C-N 3.29Å; E491-Q493 PolarHBondContact O-N 2.65Å; Q493-C496 PolarHBondContact O-N 2.86Å; Q493-M497 PolarHBondContact O-N 3.31Å
494V78.9Confident73.1Confident73 Ų73111 Ų11144%0.44254%0.543SS..Hα-helixtrans-62.1-48174.8169.50000110V490 E491 C496 M497 D498V490-V494 HydrophobicContact CG1-CG2 4.21Å; V490-V494 WeakPolarHBondContact O-CB 3.25Å; V490-V494 WeakPolarHBondContact O-CG2 3.33Å; V490-V494 PolarHBondContact O-N 2.96Å; E491-V494 PolarHBondContact O-N 2.76Å; V494-C496 VanDerWaalsContact C-N 3.27Å; V494-C496 PolarHBondContact O-N 3.42Å; V494-M497 CarbonylContact O-C 3.57Å; V494-M497 WeakPolarHBondContact O-CA 3.26Å; V494-M497 WeakPolarHBondContact O-CB 3.47Å; V494-M497 PolarHBondContact O-N 2.88Å; V494-D498 PolarHBondContact O-N 3.47Å
495F76Confident74Confident133 Ų133108.7 Ų108.758%0.58354%0.536SS*.Hα-helixtrans-59.9-35.1175-173.2-102.7000112.9E491 R499E491-F495 VanDerWaalsContact O-CB 3.32Å; E491-F495 WeakPolarHBondContact O-CB 3.44Å; E491-F495 PolarHBondContact O-N 2.65Å; F495-R499 WeakPolarHBondContact O-CG 3.45Å; F495-R499 PolarHBondContact O-N 3.25Å; F495-R499 VanDerWaalsContact O-N 3.13Å
496C74.4Confident74.3Confident68 Ų68110.4 Ų110.446%0.45954%0.535SS..Hα-helixtrans-73-27173.8-169.10000112.8K492 Q493 V494 K500K492-C496 VanDerWaalsContact O-CB 3.3Å; K492-C496 WeakPolarHBondContact O-CB 3.38Å; K492-C496 PolarHBondContact O-N 2.89Å; Q493-C496 PolarHBondContact O-N 2.86Å; V494-C496 VanDerWaalsContact C-N 3.27Å; V494-C496 PolarHBondContact O-N 3.42Å; C496-K500 VanDerWaalsContact O-CG 3.3Å; C496-K500 WeakPolarHBondContact O-CG 3.49Å; C496-K500 PolarHBondContact O-N 3.34Å
497M80.4Confident74.9Confident109 Ų109106.6 Ų106.654%0.53753%0.527SS..Hα-helixtrans-76.6-38.8171.8-17217470.100111.6Q493 V494 K500 L501Q493-M497 PolarHBondContact O-N 3.31Å; V494-M497 CarbonylContact O-C 3.57Å; V494-M497 WeakPolarHBondContact O-CA 3.26Å; V494-M497 WeakPolarHBondContact O-CB 3.47Å; V494-M497 PolarHBondContact O-N 2.88Å; M497-K500 CarbonylContact O-C 3.54Å; M497-K500 WeakPolarHBondContact O-CA 3.44Å; M497-K500 WeakPolarHBondContact O-CB 3.39Å; M497-K500 PolarHBondContact O-N 3.44Å; M497-K500 VanDerWaalsContact O-N 3.09Å; M497-L501 PolarHBondContact O-N 3.24Å
498D71.4Confident74.9Confident88 Ų88109.6 Ų109.647%0.47153%0.534SS..Hα-helixtrans-58.1-53.4175.3-13125.4000110.3V494 K500 L501 D502V494-D498 PolarHBondContact O-N 3.47Å; D498-K500 PolarHBondContact O-N 3.07Å; D498-K500 VanDerWaalsContact O-N 3.08Å; D498-L501 CarbonylContact O-C 3.52Å; D498-L501 WeakPolarHBondContact O-CA 3.42Å; D498-L501 WeakPolarHBondContact O-CB 3.4Å; D498-L501 PolarHBondContact O-N 2.82Å; D498-D502 PolarHBondContact O-N 2.69Å
499R80.8Confident74.9Confident171 Ų171107.4 Ų107.465%0.64552%0.52SS*.Hα-helixtrans-61.9-21.5175.4-66.8-168.970.6-173.22.3114.2F495 F503F495-R499 WeakPolarHBondContact O-CG 3.45Å; F495-R499 PolarHBondContact O-N 3.25Å; F495-R499 VanDerWaalsContact O-N 3.13Å; R499-F503 WeakPolarHBondContact O-CB 3.35Å; R499-F503 PolarHBondContact O-N 3.37Å
500K80.4Confident74.5Confident142 Ų142107.5 Ų107.562%0.61752%0.523SS*.Hα-helixtrans-82.5-34.4172-77175-179.3-177.20112.1C496 M497 D498 L504C496-K500 VanDerWaalsContact O-CG 3.3Å; C496-K500 WeakPolarHBondContact O-CG 3.49Å; C496-K500 PolarHBondContact O-N 3.34Å; M497-K500 CarbonylContact O-C 3.54Å; M497-K500 WeakPolarHBondContact O-CA 3.44Å; M497-K500 WeakPolarHBondContact O-CB 3.39Å; M497-K500 PolarHBondContact O-N 3.44Å; M497-K500 VanDerWaalsContact O-N 3.09Å; D498-K500 PolarHBondContact O-N 3.07Å; D498-K500 VanDerWaalsContact O-N 3.08Å; K500-L504 WeakPolarHBondContact O-CB 3.27Å; K500-L504 PolarHBondContact O-N 3.42Å
501L77.5Confident73.6Confident89 Ų89114.4 Ų114.447%0.46654%0.541SS..Hα-helixtrans-65.7-46.8169.7-77.4168.8000110.4M497 D498 F503 L504 V505M497-L501 PolarHBondContact O-N 3.24Å; D498-L501 CarbonylContact O-C 3.52Å; D498-L501 WeakPolarHBondContact O-CA 3.42Å; D498-L501 WeakPolarHBondContact O-CB 3.4Å; D498-L501 PolarHBondContact O-N 2.82Å; L501-F503 VanDerWaalsContact C-N 3.29Å; L501-F503 PolarHBondContact O-N 2.93Å; L501-L504 CarbonylContact O-C 3.55Å; L501-L504 PolarHBondContact O-N 3Å; L501-L504 VanDerWaalsContact O-N 3.09Å; L501-V505 WeakPolarHBondContact O-CB 3.34Å; L501-V505 VanDerWaalsContact O-CG2 3.27Å; L501-V505 WeakPolarHBondContact O-CG2 3.44Å; L501-V505 PolarHBondContact O-N 2.95Å
502D70.7Confident72.7Confident89 Ų89114.7 Ų114.748%0.47654%0.543SS..Hα-helixtrans-55.8-42.9173.4-73.5-32.2000112.1D498 N506D498-D502 PolarHBondContact O-N 2.69Å; D502-N506 VanDerWaalsContact O-CB 3.3Å; D502-N506 WeakPolarHBondContact O-CB 3.39Å; D502-N506 PolarHBondContact O-N 2.99Å; D502-N506 PolarHBondContact O-ND2 3.13Å
503F80.6Confident71.5Confident145 Ų145110 Ų11064%0.63654%0.541SS*.Hα-helixtrans-64.4-45.1175.3-179.3-98.6000111.7R499 L501 N506 V507R499-F503 WeakPolarHBondContact O-CB 3.35Å; R499-F503 PolarHBondContact O-N 3.37Å; L501-F503 VanDerWaalsContact C-N 3.29Å; L501-F503 PolarHBondContact O-N 2.93Å; F503-N506 PolarHBondContact O-N 3.42Å; F503-V507 HydrophobicContact CD1-CG2 4.34Å; F503-V507 HydrophobicContact CE1-CG2 3.93Å; F503-V507 HydrophobicContact CE2-CG2 4.24Å; F503-V507 HydrophobicContact CZ-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CB 3.48Å; F503-V507 VanDerWaalsContact O-CG2 3.31Å; F503-V507 WeakPolarHBondContact O-CG2 3.31Å; F503-V507 PolarHBondContact O-N 3.4Å
504L75.3Confident70.6Confident116 Ų116107 Ų10761%0.60753%0.529SS*.Hα-helixtrans-64.8-40.6178.7-156.482.4000111.8K500 L501 V507 Y508K500-L504 WeakPolarHBondContact O-CB 3.27Å; K500-L504 PolarHBondContact O-N 3.42Å; L501-L504 CarbonylContact O-C 3.55Å; L501-L504 PolarHBondContact O-N 3Å; L501-L504 VanDerWaalsContact O-N 3.09Å; L504-V507 PolarHBondContact O-N 3.18Å; L504-Y508 WeakPolarHBondContact O-CB 3.43Å; L504-Y508 PolarHBondContact O-N 3.24Å
505V73Confident69.1Low73 Ų73107.3 Ų107.344%0.44253%0.531SS..Hα-helixtrans-65-47175.9168.50000110.3L501 V507 Y508 V509L501-V505 WeakPolarHBondContact O-CB 3.34Å; L501-V505 VanDerWaalsContact O-CG2 3.27Å; L501-V505 WeakPolarHBondContact O-CG2 3.44Å; L501-V505 PolarHBondContact O-N 2.95Å; V505-V507 PolarHBondContact O-N 3.08Å; V505-Y508 CarbonylContact O-C 3.55Å; V505-Y508 WeakPolarHBondContact O-CB 3.39Å; V505-Y508 PolarHBondContact O-N 2.57Å; V505-Y508 VanDerWaalsContact O-N 3.11Å; V505-V509 HydrophobicContact CG1-CG2 4.25Å; V505-V509 WeakPolarHBondContact O-CB 3.3Å; V505-V509 VanDerWaalsContact O-CG2 3.29Å; V505-V509 WeakPolarHBondContact O-CG2 3.38Å; V505-V509 PolarHBondContact O-N 3.43Å
506N70.9Confident67.5Low76 Ų76107.3 Ų107.341%0.40653%0.532SS..Hα-helixtrans-62-41176.1-81.4-58.9000112.4D502 F503 Y508 V509 Q510D502-N506 VanDerWaalsContact O-CB 3.3Å; D502-N506 WeakPolarHBondContact O-CB 3.39Å; D502-N506 PolarHBondContact O-N 2.99Å; D502-N506 PolarHBondContact O-ND2 3.13Å; F503-N506 PolarHBondContact O-N 3.42Å; N506-Y508 VanDerWaalsContact C-N 3.32Å; N506-Y508 PolarHBondContact O-N 3.37Å; N506-V509 PolarHBondContact O-N 3.07Å; N506-Q510 WeakPolarHBondContact O-CB 3.47Å; N506-Q510 WeakPolarHBondContact O-CG 3.4Å; N506-Q510 PolarHBondContact O-N 2.59Å
507V78.8Confident66.5Low57 Ų57108 Ų10835%0.34554%0.538SS..Hα-helixtrans-63.8-37.8172.9169.10000111.3F503 L504 V505 R511F503-V507 HydrophobicContact CD1-CG2 4.34Å; F503-V507 HydrophobicContact CE1-CG2 3.93Å; F503-V507 HydrophobicContact CE2-CG2 4.24Å; F503-V507 HydrophobicContact CZ-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CB 3.48Å; F503-V507 VanDerWaalsContact O-CG2 3.31Å; F503-V507 WeakPolarHBondContact O-CG2 3.31Å; F503-V507 PolarHBondContact O-N 3.4Å; L504-V507 PolarHBondContact O-N 3.18Å; V505-V507 PolarHBondContact O-N 3.08Å; V507-R511 VanDerWaalsContact O-CB 3.25Å; V507-R511 WeakPolarHBondContact O-CB 3.47Å; V507-R511 PolarHBondContact O-N 2.88Å
508Y66.1Low64.8Low150 Ų150106.6 Ų106.659%0.58853%0.53SS*.Hα-helixtrans-69.5-42.2177-157.6-90.4000112.2L504 V505 N506 R511 M512L504-Y508 WeakPolarHBondContact O-CB 3.43Å; L504-Y508 PolarHBondContact O-N 3.24Å; V505-Y508 CarbonylContact O-C 3.55Å; V505-Y508 WeakPolarHBondContact O-CB 3.39Å; V505-Y508 PolarHBondContact O-N 2.57Å; V505-Y508 VanDerWaalsContact O-N 3.11Å; N506-Y508 VanDerWaalsContact C-N 3.32Å; N506-Y508 PolarHBondContact O-N 3.37Å; Y508-R511 PolarHBondContact O-N 2.9Å; Y508-M512 HydrophobicContact CD1-CG 3.94Å; Y508-M512 HydrophobicContact CE1-CE 3.64Å; Y508-M512 HydrophobicContact CE1-CG 3.8Å; Y508-M512 WeakPolarHBondContact O-CB 3.5Å; Y508-M512 WeakPolarHBondContact O-CG 3.16Å; Y508-M512 PolarHBondContact O-N 3.27Å; Y508-M512 WeakPolarHBondContact OH-CE 3.28Å
509V66.6Low63.7Low26 Ų26105.1 Ų105.116%0.15852%0.524CS..Hα-helixtrans-62-47.8175.2164.90000110.9V505 N506 R511 M512 G513 I514V505-V509 HydrophobicContact CG1-CG2 4.25Å; V505-V509 WeakPolarHBondContact O-CB 3.3Å; V505-V509 VanDerWaalsContact O-CG2 3.29Å; V505-V509 WeakPolarHBondContact O-CG2 3.38Å; V505-V509 PolarHBondContact O-N 3.43Å; N506-V509 PolarHBondContact O-N 3.07Å; V509-R511 VanDerWaalsContact C-N 3.29Å; V509-R511 PolarHBondContact O-N 2.9Å; V509-M512 PolarHBondContact O-N 3.29Å; V509-G513 PolarHBondContact O-N 3.42Å; V509-I514 HydrophobicContact CG1-CB 4.28Å; V509-I514 WeakPolarHBondContact CG1-O 3.07Å; V509-I514 PolarHBondContact O-N 2.95Å
510Q62.5Low61.8Low162 Ų162103.6 Ų103.676%0.75752%0.524SS*.Hα-helixtrans-60.1-37.2173.8-78.1-173.8-28.200112.5N506N506-Q510 WeakPolarHBondContact O-CB 3.47Å; N506-Q510 WeakPolarHBondContact O-CG 3.4Å; N506-Q510 PolarHBondContact O-N 2.59Å
511R56.1Low60.3Low224 Ų224100.4 Ų100.485%0.84553%0.525SS*.Hα-helixtrans-80.6-20.7-178.8-155.9175.6-162.3176.15.4113.8V507 Y508 V509V507-R511 VanDerWaalsContact O-CB 3.25Å; V507-R511 WeakPolarHBondContact O-CB 3.47Å; V507-R511 PolarHBondContact O-N 2.88Å; Y508-R511 PolarHBondContact O-N 2.9Å; V509-R511 VanDerWaalsContact C-N 3.29Å; V509-R511 PolarHBondContact O-N 2.9Å
512M55.5Low58.5Low113 Ų113103.6 Ų103.656%0.55754%0.535SS*.Hα-helixtrans-93.2-11.5172.4-74.1-68.7-16800113.5Y508 V509 I514Y508-M512 HydrophobicContact CD1-CG 3.94Å; Y508-M512 HydrophobicContact CE1-CE 3.64Å; Y508-M512 HydrophobicContact CE1-CG 3.8Å; Y508-M512 WeakPolarHBondContact O-CB 3.5Å; Y508-M512 WeakPolarHBondContact O-CG 3.16Å; Y508-M512 PolarHBondContact O-N 3.27Å; Y508-M512 WeakPolarHBondContact OH-CE 3.28Å; V509-M512 PolarHBondContact O-N 3.29Å; M512-I514 HydrophobicContact CB-CD1 3.83Å; M512-I514 HydrophobicContact CB-CG1 3.93Å
513G52Low57.1Low63 Ų63107.8 Ų107.865%0.64955%0.549SS*.THydrogen-bonded Turntrans72.922.2179.900000114.8V509V509-G513 PolarHBondContact O-N 3.42Å
514I54.4Low55.2Low81 Ų81107.8 Ų107.842%0.41556%0.556SS.*  trans-79.7139.4-177.3-61.4169.3000109.8V509 M512 E518V509-I514 HydrophobicContact CG1-CB 4.28Å; V509-I514 WeakPolarHBondContact CG1-O 3.07Å; V509-I514 PolarHBondContact O-N 2.95Å; M512-I514 HydrophobicContact CB-CD1 3.83Å; M512-I514 HydrophobicContact CB-CG1 3.93Å; I514-E518 HydrophobicContact CG2-CB 4.33Å
515T47.5Very low53.1Low79 Ų79107 Ų10749%0.48556%0.56SS.*  trans-85.7140.9-175.250.30000113S517 E518T515-S517 PolarHBondContact O-N 2.84Å; T515-E518 PolarHBondContact N-OE2 2.75Å; T515-E518 PolarHBondContact O-N 2.83Å; T515-E518 PolarHBondContact OG1-OE2 3.48Å
516H43.1Very low51.1Low132 Ų132113.4 Ų113.461%0.61158%0.582SS**Hα-helixtrans-59.7-19.4-169.8-152.6-68.9000114.7E518H516-E518 VanDerWaalsContact C-N 3.34Å
517S52.3Low49.3Very low82 Ų82118.6 Ų118.657%0.57360%0.604SS**Hα-helixtrans-71.1-21.4174.742.40000114.6T515T515-S517 PolarHBondContact O-N 2.84Å
518E45.5Very low47.3Very low81 Ų81121.5 Ų121.538%0.37962%0.624SS.*Hα-helixtrans-82.3-25.6-174.9-63.5172.699.800112I514 T515 H516I514-E518 HydrophobicContact CG2-CB 4.33Å; T515-E518 PolarHBondContact N-OE2 2.75Å; T515-E518 PolarHBondContact O-N 2.83Å; T515-E518 PolarHBondContact OG1-OE2 3.48Å; H516-E518 VanDerWaalsContact C-N 3.34Å
519T47.4Very low45.9Very low57 Ų57125 Ų12535%0.3564%0.637SS.*Hα-helixtrans-72.4-37.9179.9-33.20000112.6A521 F522T519-A521 VanDerWaalsContact C-N 3.3Å; T519-A521 PolarHBondContact O-N 2.89Å; T519-F522 PolarHBondContact O-N 3.19Å
520E42.4Very low44.5Very low138 Ų138129.4 Ų129.465%0.64567%0.667SS**Hα-helixtrans-67.6-30.5-176.6-62.3-174158.600112.6F522E520-F522 VanDerWaalsContact C-N 3.28Å; E520-F522 PolarHBondContact O-N 3.09Å
521A49.2Very low43.4Very low76 Ų76126 Ų12663%0.62867%0.667SS**Hα-helixtrans-69.4-21.8178.600000113.7T519T519-A521 VanDerWaalsContact C-N 3.3Å; T519-A521 PolarHBondContact O-N 2.89Å
522F38.5Very low42.7Very low156 Ų156121 Ų12168%0.68466%0.663SS**Hα-helixtrans-78.2-25.8-174.9-106.3-88.3000114.2T519 E520T519-F522 PolarHBondContact O-N 3.19Å; E520-F522 VanDerWaalsContact C-N 3.28Å; E520-F522 PolarHBondContact O-N 3.09Å
523F40.4Very low41.8Very low176 Ų176121.6 Ų121.677%0.77268%0.675SS**Hα-helixtrans-102.6-17.8-171.6-73.3-82.8000115
524N42.3Very low40.8Very low146 Ų146129.1 Ų129.178%0.78169%0.685SS**  trans-107.594.9-179.6-96.4-41.4000112.4
525S31.2Very low39.7Very low98 Ų98133.6 Ų133.669%0.68570%0.704SS**  trans-145.658.3177.261.60000116.6
526K31.1Very low39Very low208 Ų208134.2 Ų134.290%0.90471%0.712SS**  trans-171.4120.6139.5-109.5153.1-172.9164.60114.6
527E32.9Very low38.5Very low185 Ų185133.7 Ų133.786%0.86472%0.72SS**  trans-105121.4162.7-168.5160.5-127.400108.8
528P36.9Very low37.3Very low118 Ų118138.7 Ų138.777%0.76673%0.734SS**PPolyproline II helixtrans-74.8138.5177.6-17.132000112.1
529Y35.4Very low36.6Very low224 Ų224144.2 Ų144.288%0.87876%0.76SS**PPolyproline II helixtrans-58.9140.6173.3-100.7-110.9000111.9
530P38.8Very low35.7Very low119 Ų119147.4 Ų147.477%0.77378%0.78SS**PPolyproline II helixtrans-67.8141.217428.9-34.4000111.2
531A37.7Very low35.1Very low91 Ų91150.5 Ų150.575%0.75279%0.791SS**PPolyproline II helixtrans-77149.9170.600000110.8
532P43Very low34.1Very low118 Ų118151.9 Ų151.977%0.76679%0.785SS**PPolyproline II helixtrans-66.2154.217528.7-35.1000111.6
533P35.8Very low33.8Very low126 Ų126153.3 Ų153.382%0.81879%0.794SS**PPolyproline II helixtrans-62.4142.6-173.1-23.334.4000113.9
534Y31Very low33.1Very low220 Ų220154.2 Ų154.286%0.86380%0.797SS**  trans-111.8119.5173.9-168.6-87.7000108.8
535H32Very low32.4Very low176 Ų176154.3 Ų154.382%0.81580%0.798SS**PPolyproline II helixtrans-88.1129173.8-86.3-84.4000110.5
536S31.8Very low32.5Very low92 Ų92158.2 Ų158.264%0.64381%0.805SS**PPolyproline II helixtrans-94.5145.1161.9-167.30000109.3
537P32.8Very low32.3Very low120 Ų120155.4 Ų155.478%0.77980%0.8SS**PPolyproline II helixtrans-73.6143.5162.4-4.622.4000109.7
538E28.3Very low32Very low187 Ų187155.1 Ų155.187%0.87480%0.798SS**  trans-109.3142.4165.9-67.7-179.7137.500108.9
539E29.1Very low31.6Very low197 Ų197152.9 Ų152.992%0.92179%0.79SS**  trans-86.1129.3174.5-64.2-170.5150.300110.1
540T28.8Very low31.2Very low125 Ų125149.4 Ų149.477%0.76779%0.792SS**  trans-114.1116.9169.839.60000110.3
541K30Very low30.5Very low202 Ų202153.4 Ų153.488%0.87880%0.797SS**  trans-102.7138.9159.9-78.9-174.9174.6-176.40108.7
542E28.4Very low30.1Very low106 Ų106155.6 Ų155.650%0.49580%0.801SS.*  trans-126.2137.9157.6-72.5-165.293.800108.8S579 T580E542-S579 VanDerWaalsContact CD-CA 3.5Å; E542-S579 WeakPolarHBondContact OE1-CA 3.44Å; E542-S579 PolarHBondContact OE1-N 2.97Å; E542-S579 WeakPolarHBondContact OE2-CA 3.2Å; E542-T580 WeakPolarHBondContact OE2-CG2 3.45Å; E542-T580 PolarHBondContact OE2-N 3.44Å
543E31.3Very low29.4Very low186 Ų186156.2 Ų156.287%0.86979%0.794SS**  trans-101.1149.1168.2-71.5177.515500109.5
544K26.5Very low29Very low195 Ų195158.2 Ų158.285%0.84879%0.79SS**  trans-152.199.1161.4-163.3-173.6179.9-163.90110.7
545D28.4Very low28.7Very low148 Ų148157.8 Ų157.879%0.79179%0.792SS**  trans-86155.7165-81.9-35.4000111.5
546E32.2Very low28.4Very low179 Ų179153.7 Ų153.784%0.83679%0.789SS**  trans157.5137.4154.2-94.1170.7-160.200108.2
547D27Very low28.2Very low149 Ų149159 Ų15980%0.79780%0.8SS**  cis-164.3-177.5-31.3-149.8-31.4000107.8
548E27.2Very low27.7Very low179 Ų179159.7 Ų159.784%0.83680%0.802SS**  trans66.2158.4164.6-70.1-150.8109.200120.1
549A27.7Very low27.9Very low71 Ų71156.6 Ų156.659%0.58780%0.8SS**  cis-173.5144.8-35.300000110.1
550T27.1Very low28.1Very low151 Ų151153.2 Ų153.293%0.92680%0.798SS**  trans-170.3140.9141.26.70000111.3
551K25.1Very low28.4Very low203 Ų203152 Ų15288%0.88380%0.801SS**  trans-156109.2-171-178.3178.2179.2177.40112.5
552V28.1Very low28.9Very low137 Ų137151.1 Ų151.183%0.8380%0.802SS**  trans-149.3135-175.5172.80000110.2
553E27.8Very low28.6Very low131 Ų131150.6 Ų150.661%0.61282%0.816SS**  cis-160159.1-23.2-103.7-126.9116.600111.8
554K28.7Very low28.7Very low168 Ų168149 Ų14973%0.7381%0.814SS**  trans24.7126152.6-61.8172.7-175.6127.60121.8
555K24.9Very low28.6Very low212 Ų212145.9 Ų145.992%0.92281%0.811SS**  -148.2161.6115-149.4168.2-175.2175.40110.9
556A25.1Very low28.3Very low89 Ų89143.4 Ų143.474%0.73681%0.805SS**  trans-141.1174.5-173.600000112.9
557K26.8Very low27.8Very low203 Ų203146.3 Ų146.388%0.88381%0.808SS**  trans86.9145.2177.9-71.6-175.3170.3179.80118.2
558T22.9Very low27.5Very low135 Ų135144.2 Ų144.283%0.82881%0.805SS**SBendtrans85.9153.2166.6-44.70000115.8
559C31.7Very low27.4Very low123 Ų123142.2 Ų142.283%0.83180%0.8SS**SBendtrans-54.7157.7-165.4-46.70000116.1
560S34.6Very low27.2Very low125 Ų125148.6 Ų148.687%0.87481%0.809SS**  trans104.7162.1175.8-161.20000115.3
561A34.7Very low27Very low100 Ų100146.7 Ų146.783%0.82680%0.802SS**  trans73.3167.4169.800000119.5
562M39.8Very low27.1Very low183 Ų183143.8 Ų143.890%0.90180%0.795SS**  trans-73.2154.7-169.2-61.7163.4109.400114.5
563A23.7Very low26.9Very low96 Ų96144.8 Ų144.879%0.79379%0.791SS**  trans-156.6127.7143.500000111.4
564D33.3Very low26.8Very low153 Ų153143.9 Ų143.982%0.81879%0.79SS**  trans-90.4127.4161.8-79.9-58.9000110.2
565V24.3Very low26.7Very low129 Ų129142.6 Ų142.678%0.78279%0.791SS**  trans-150.4108.2159.6178.70000105.9
566S20.8Very low26.7Very low95 Ų95138.3 Ų138.366%0.66479%0.788SS**  73.1140.858.8-72.20000116
567R22.1Very low26.6Very low240 Ų240145.6 Ų145.691%0.90680%0.797SS**  trans68149.6178.8-63.2-177.5170.6110.4-0.5114.6
568S22.2Very low27.2Very low105 Ų105140.9 Ų140.973%0.73479%0.786SS**  cis-158.5156.4-10.337.60000105.7
569D23.4Very low27.2Very low137 Ų137138.3 Ų138.373%0.73377%0.774SS**  cis-171.2172.546-146.14.3000105.2
570R23.7Very low26.9Very low206 Ų206137.3 Ų137.378%0.77776%0.764SS**  cis-169.917219.7-156.2170.3-168-150.82.3109.6
571S23.6Very low26.4Very low110 Ų110136.8 Ų136.877%0.76976%0.761SS**  trans71.8147.216470.60000117.7
572L26.2Very low25.9Very low142 Ų142143.5 Ų143.574%0.74377%0.765SS**  cis-156.8146.33.5-122.5159.7000110.5
573E24Very low25.3Very low158 Ų158142.4 Ų142.474%0.73876%0.758SS**  trans62.5156.9158.5-80173.3-163.200120.4
574N26.1Very low25.5Very low112 Ų112144.5 Ų144.560%0.59975%0.751SS**  cis-156.5153.9-4.6-129.2-37.5000114.1
575N27.4Very low25.3Very low141 Ų141144 Ų14475%0.75474%0.744SS**  trans57.4132.6151.4-75.1-32.1000127.6
576S25Very low25.4Very low123 Ų123144.5 Ų144.586%0.8674%0.741SS**  trans103.9156.3134.577.80000124.3
577R22.3Very low25.5Very low242 Ų242147.9 Ų147.991%0.91375%0.746SS**  trans-172.8172.9-172.9-102.6-175.8175.8-175.4-1107.6
578P38.5Very low25.5Very low103 Ų103144.4 Ų144.467%0.66974%0.74SS**  cis-138.6-168.9-27.442.6-24.1000114.8
579S23.5Very low25.8Very low81 Ų81145.1 Ų145.157%0.56674%0.742SS**  trans80.3111.7145.2-61.60000124.9E542E542-S579 VanDerWaalsContact CD-CA 3.5Å; E542-S579 WeakPolarHBondContact OE1-CA 3.44Å; E542-S579 PolarHBondContact OE1-N 2.97Å; E542-S579 WeakPolarHBondContact OE2-CA 3.2Å
580T24.9Very low25.8Very low103 Ų103146.9 Ų146.963%0.63275%0.75SS**  trans19.9136.5141.765.50000122.6E542E542-T580 WeakPolarHBondContact OE2-CG2 3.45Å; E542-T580 PolarHBondContact OE2-N 3.44Å
581S24.3Very low26Very low114 Ų114141.9 Ų141.980%0.79775%0.747SS**  175.4177.4102.252.30000113.7
582W25.6Very low26.1Very low241 Ų241144.8 Ų144.891%0.91375%0.749SS**  trans-132.1-177.3-153.8-110.185.5000115.6
583Q26.8Very low26.4Very low160 Ų160144 Ų14475%0.74875%0.752SS**  trans89.5155.8166.2-48.2-170.728.600114.8
584H27Very low26.4Very low140 Ų140140.8 Ų140.865%0.64875%0.753SS**  cis-154.2169.97.3-157.8-113.9000109.7
585Q30.1Very low26.3Very low143 Ų143147.1 Ų147.167%0.66877%0.768SS**  -169.2152.9-62.5169.8166.5-137.800107.3
586L26.5Very low26.1Very low139 Ų139143.3 Ų143.373%0.72876%0.762SS**  trans146.7130.9150-79.8163.7000110.1
587Q22.3Very low25.9Very low165 Ų165142.5 Ų142.577%0.77176%0.756SS**  cis-137.2140.114.3-62.5175.6-61.200112
588H22.7Very low26Very low167 Ų167135.9 Ų135.977%0.77375%0.747SS**  trans35.9155.4150-57-64.8000123
589P27.5Very low25.4Very low120 Ų120139.3 Ų139.378%0.77976%0.757SS**  cis-125.2167.86.841.3-27.8000115.4
590L23.5Very low25.5Very low174 Ų174139.2 Ų139.291%0.91176%0.76SS**  trans-145146.3158.7-111.4175.3000109.5
591S28Very low25.7Very low102 Ų102141.3 Ų141.371%0.71377%0.768SS**  trans-108.714217453.50000110.6
592Q25.3Very low25.9Very low170 Ų170141.9 Ų141.979%0.79477%0.767SS**  trans-61.8162.2166.6-65.6173-38.900111.2
593P32Very low26.6Very low127 Ų127136.3 Ų136.383%0.82576%0.761SS**  -134127.2124.335.4-26.1000112.8
594A24.1Very low26.7Very low90 Ų90133.3 Ų133.374%0.74476%0.758SS**  trans167.8105144.700000109.5
595W24.2Very low27.5Very low245 Ų245132.4 Ų132.493%0.92877%0.765SS**  trans-95.7121.9161.4-99.365.2000108.7
596G23Very low27.4Very low61 Ų61131.3 Ų131.363%0.62977%0.768SS**  trans-111.2118.1169.200000110.4
597S22.6Very low27.5Very low105 Ų105132.4 Ų132.473%0.73477%0.773SS**  trans58.2134.6158.863.10000121.2
598S23.8Very low27.9Very low103 Ų103128.3 Ų128.372%0.7277%0.768SS**  trans83.6121.4138.7-66.70000122.5
599M26.1Very low28.1Very low176 Ų176125.4 Ų125.487%0.86777%0.773SS**  trans78.4101.3130.6-65.3-65.9175.300121.8
600A25.6Very low28.1Very low78 Ų78123.5 Ų123.565%0.64578%0.775SS**  100.2144.4112.800000121.7
601N28.5Very low28.2Very low147 Ų147122.7 Ų122.779%0.78677%0.771SS**  trans76.889.1155.7-59-11.1000121.2
602T29.1Very low28.3Very low127 Ų127127.2 Ų127.278%0.77978%0.781SS**  16.8160.4111.351.30000121
603P39Very low28.5Very low123 Ų123124.2 Ų124.280%0.79978%0.779SS**  cis-136.2-175.219.636.9-14.9000118.3
604S29.2Very low28.7Very low98 Ų98124.1 Ų124.169%0.68578%0.779SS**  trans-76.3-178.9-175.9-34.80000115.8
605P44.6Very low29Very low120 Ų120126 Ų12678%0.77978%0.781SS**  -117.314981.4-2.124000113.1
606V28.8Very low29.2Very low121 Ų121120.8 Ų120.873%0.73378%0.776SS**  7312353.8172.20000111.6
607L28.4Very low29.5Very low161 Ų161127.4 Ų127.484%0.84379%0.788SS**  cis-141.4-177.61.8-14966000106.7
608A29.5Very low29.7Very low79 Ų79133.6 Ų133.665%0.65380%0.795SS**  cis-155143.57.200000109.2
609A27.3Very low30Very low106 Ų106136.6 Ų136.688%0.87680%0.802SS**  79.8112.384.600000116.1
610G26.8Very low30.6Very low80 Ų80133.5 Ų133.583%0.82580%0.795SS**  trans157.9109.6175.200000112.7
611D27.3Very low31.1Very low157 Ų157135.4 Ų135.484%0.8480%0.801SS**  trans-71.1137.3-166.9-60.5-55.7000116.2
612Q29.7Very low31.6Very low198 Ų198134.1 Ų134.193%0.92580%0.801SS**  176.4155.9107.7-93.2172.860.400112.4
613S29Very low32Very low106 Ų106134.5 Ų134.574%0.74181%0.805SS**  trans-108.8136.4-163.457.20000115.4
614P36.9Very low31.5Very low126 Ų126132.9 Ų132.982%0.81880%0.802SS**PPolyproline II helixtrans-99.5122.716634.5-28.1000112.4
615T30.2Very low31.6Very low130 Ų130133.4 Ų133.480%0.79881%0.806SS**PPolyproline II helixtrans-94.4133.6175.249.20000112.6
616V28.6Very low30.7Very low134 Ų134134.6 Ų134.681%0.81281%0.811SS**PPolyproline II helixtrans-95.1132.4174.8179.80000110.5
617F28.9Very low30.8Very low201 Ų201137.7 Ų137.788%0.88282%0.817SS**  trans-139.4143.5162.7-101.4-82.3000112.4
618R26.8Very low30.8Very low234 Ų234137.1 Ų137.188%0.88382%0.815SS**  trans-92.6158.5174.4-84.2179.4161.4129.8-8.6111
619L30.7Very low30.7Very low167 Ų167143.9 Ų143.987%0.87482%0.823SS**  trans-115.2164.2156.6-100.486000111.4
620P37.5Very low30.8Very low110 Ų110143.7 Ų143.771%0.71482%0.816SS**PPolyproline II helixtrans-97.5171.2-158.338.3-37.4000115.7
621P37.3Very low30.8Very low118 Ų118145 Ų14577%0.76681%0.812SS**PPolyproline II helixtrans-80.116117733.7-37.3000114.3
622P37.1Very low30.9Very low121 Ų121143.7 Ų143.779%0.78682%0.815SS**PPolyproline II helixtrans-82.1155.5178.633.7-35.8000114.1
623P38.5Very low30.7Very low135 Ų135137.8 Ų137.888%0.87781%0.808SS**  trans-91179.5-17838-37.4000114.1
624A28.4Very low30.7Very low88 Ų88137.1 Ų137.173%0.72781%0.808SS**  trans-117.1149.9-173.800000115.1
625S30.8Very low30.2Very low110 Ų110137.7 Ų137.777%0.76981%0.814SS**  trans40.5125.7148.963.10000122.1
626T27Very low30Very low145 Ų145134.8 Ų134.889%0.8981%0.81SS**  trans-132.9138.5149.649.40000110.3
627H30.6Very low30Very low185 Ų185134.5 Ų134.586%0.85681%0.814SS**  trans-77.8158170.7-80.1-105.2000111.6
628D27.6Very low30Very low150 Ų150128.2 Ų128.280%0.80281%0.806SS**  -161.2-173.8121.3-132.9-42.4000114.5
629R27.7Very low30.2Very low220 Ų220126.4 Ų126.483%0.8380%0.799SS**  trans-90.7141.2-157.4-75.8158.5155.1172.5-7118.7
630S28.5Very low30.1Very low103 Ų103125.1 Ų125.172%0.7279%0.789SS**  45.1127122-480000124.7
631S28.6Very low29.7Very low107 Ų107124.3 Ų124.375%0.74879%0.785SS**  91147.1123.472.30000123.2
632S28.1Very low29.3Very low129 Ų129124.2 Ų124.290%0.90279%0.788SS**  trans63.7152-179.268.70000115.3
633G25.9Very low29.1Very low74 Ų74123.2 Ų123.276%0.76378%0.783SS**  cis135.8148.19.200000108.4
634A28.9Very low28.7Very low92 Ų92125.8 Ų125.876%0.7678%0.784SS**  cis-162.7177.2-5.900000109.7
635C25.5Very low28.8Very low138 Ų138124.7 Ų124.793%0.93278%0.781SS**  trans66.7153.8170.1-640000118.5
636G28.1Very low28.8Very low69 Ų69129.8 Ų129.871%0.71178%0.784SS**  cis160.2156.5-1200000114.8
637S27.9Very low28.9Very low129 Ų129132.1 Ų132.190%0.90278%0.776SS**  trans66147.3178.8-157.70000115.1
638G28.8Very low29Very low69 Ų69133.3 Ų133.371%0.71177%0.773SS**  cis173.9176.10.400000107.3
639R31Very low29.1Very low196 Ų196132.2 Ų132.274%0.7476%0.763SS**  cis-154.2160.88.1-73.3171.376.91474.4109.7
640E28.2Very low29.2Very low140 Ų140131.6 Ų131.665%0.65476%0.761SS**  trans50.6148.2138.9-68.6151.6-171.800123.2
641S30Very low29.2Very low92 Ų92137.4 Ų137.464%0.64377%0.767SS**  cis-177.2140.2-27.8510000113.2
642S28.8Very low29.1Very low117 Ų117140.6 Ų140.682%0.81877%0.77SS**  trans67.8159.3147.584.60000118.3
643S32.3Very low28.9Very low99 Ų99146.1 Ų146.169%0.69277%0.77SS**  cis-148.9173.2-6.154.90000107.7
644Q30.4Very low28.9Very low189 Ų189147 Ų14788%0.88376%0.764SS**  cis-149.716723.5-52.4171.97.400108.9
645G29.7Very low28.7Very low66 Ų66150.6 Ų150.668%0.6877%0.765SS**  cis164.4140.6-12.200000114.5
646R30.7Very low28.7Very low217 Ų217151.5 Ų151.582%0.81976%0.755SS**  trans74.5145.1166.9-55.6179177.7-170.60.7116.9
647R29.8Very low28.6Very low194 Ų194154.8 Ų154.873%0.73276%0.757SS**  cis-156.6132.2-10.1-107.2166.3-177-173.2-1.6107.7
648R32.6Very low28.5Very low209 Ų209152.6 Ų152.679%0.78975%0.746SS**  57.3139.596.3-68-171.4177.9-171-0.7114.8
649H30.3Very low28.4Very low128 Ų128156.2 Ų156.259%0.59376%0.755SS**  cis-168.4-173.711.7-109.9-18.4000108
650R28.7Very low28.2Very low207 Ų207151.3 Ų151.378%0.78176%0.756SS**  cis-173.1170.3-1.2-111.3169.7-171.5-159.61.1106.2
651R28.3Very low28.2Very low225 Ų225151.1 Ų151.185%0.84976%0.764SS**  cis-165.9164.9-21.3-154-166.9-178.1-1711109.1
652H26.8Very low28Very low174 Ų174154.3 Ų154.381%0.80677%0.769SS**  trans-55.7157.2167.2-59.8-103.1000116.4
653R24.3Very low28Very low244 Ų244153.4 Ų153.492%0.92176%0.763SS**  -166.3-169.9102.1-137.6174.3179.7-171.5-2.6114.1
654C25.8Very low27.7Very low92 Ų92155.8 Ų155.862%0.62277%0.767SS**  trans-120.2171.2-152.1-37.30000115.3
655Q25.6Very low27.8Very low169 Ų169152.8 Ų152.879%0.7976%0.762SS**  trans61.5128.9151.8-68.8165.6-6400118.5
656H25.1Very low27.7Very low157 Ų157155.4 Ų155.473%0.72777%0.77SS**  -163.9166.868.6-109.1-84.3000114.8
657D25Very low27.8Very low138 Ų138153.5 Ų153.574%0.73878%0.775SS**  trans-25.2156.3165.5-38.8-47.5000118.6
658A26.7Very low27.7Very low83 Ų83149.8 Ų149.869%0.68678%0.779SS**  -176.8172.568.500000116
659T26.9Very low27.7Very low145 Ų145147.5 Ų147.589%0.8978%0.781SS**  trans63.9123.415946.60000122.1
660A25.9Very low27.7Very low93 Ų93146.9 Ų146.977%0.76979%0.788SS**  trans-74-162.2174.900000115.6
661V28.5Very low27.8Very low135 Ų135141.9 Ų141.982%0.81879%0.785SS**  trans85.3141.6172.6-176.50000114.4
662E25.7Very low28Very low160 Ų160137.4 Ų137.475%0.74878%0.782SS**  cis-171.5152.5-30.6-174.3159.9-144.700108
663S28.9Very low28.1Very low98 Ų98136 Ų13669%0.68578%0.781SS**  trans64.4155.616058.10000122.5
664D27.1Very low28.6Very low148 Ų148133.8 Ų133.879%0.79178%0.78SS**  trans73.4118.8151.1-64-1.3000125.1
665T31.3Very low29.2Very low127 Ų127138.4 Ų138.478%0.77979%0.793SS**  trans-3.8133.9153.7510000120.9
666S28.1Very low29.6Very low121 Ų121139.7 Ų139.785%0.84680%0.799SS**  -176172106.546.30000113.5
667L32.2Very low30Very low177 Ų177140.5 Ų140.593%0.92781%0.808SS**  trans-69.8133.9-179.1-70.5150.6000112.7
668S28.9Very low30.3Very low116 Ų116142.3 Ų142.381%0.81181%0.812SS**  trans-151.7151152.357.80000111.7
669I31Very low30.5Very low161 Ų161149.2 Ų149.283%0.82682%0.82SS**PPolyproline II helixtrans-101.8131.2-176.1-63.3164.4000108.1S671I669-S671 PolarHBondContact O-N 3.17Å
670P31.5Very low30.6Very low115 Ų115147.8 Ų147.875%0.74782%0.816SS**PPolyproline II helixtrans-67.2121167.6-15.129.7000109.9
671S30.4Very low30.7Very low102 Ų102154.1 Ų154.171%0.71383%0.827SS**PPolyproline II helixtrans-63.7137.1170.446.70000110.7I669I669-S671 PolarHBondContact O-N 3.17Å
672V32.1Very low30.8Very low131 Ų131153.2 Ų153.279%0.79483%0.826SS**PPolyproline II helixtrans-91.2125.5166.5176.20000107.9
673D28.6Very low31.1Very low145 Ų145148.8 Ų148.878%0.77582%0.823SS**PPolyproline II helixtrans-69.7134.4-179-65.3-59.3000112.2E675D673-E675 PolarHBondContact O-N 3.45Å
674H35.7Very low31Very low196 Ų196154 Ų15491%0.90783%0.834SS**SBendtrans-8984.1-178.3-89.7-91.6000111.6
675E37.8Very low30.9Very low189 Ų189152.6 Ų152.688%0.88384%0.836SS**  trans-1465.1171-132.3172-159.400118.1D673D673-E675 PolarHBondContact O-N 3.45Å
676E35.2Very low30.7Very low196 Ų196154.4 Ų154.492%0.91684%0.839SS**SBendtrans-118.310.1-177.9-109-167.5166.700117.3
677L32Very low30.8Very low175 Ų175154 Ų15492%0.91684%0.836SS**  trans-100.69.9179.4-141.279.4000116.1R679L677-R679 PolarHBondContact O-N 2.87Å
678E30.9Very low30.5Very low175 Ų175154.9 Ų154.982%0.81884%0.836SS**  trans-96.977.7172.6-72.3-143.2159.800113.3
679R32.3Very low30.4Very low228 Ų228153.9 Ų153.986%0.8683%0.834SS**  trans-165.487.9147.6-107.8157.2-159.181.3-9.5112.2L677L677-R679 PolarHBondContact O-N 2.87Å
680S28.4Very low30.1Very low115 Ų115154.5 Ų154.580%0.80483%0.831SS**  trans-149.2116.8159.8-82.80000109.8S682S680-S682 PolarHBondContact O-N 3.03Å; S680-S682 VanDerWaalsContact O-N 3.14Å
681F28.1Very low29.9Very low227 Ų227158.3 Ų158.3100%0.99684%0.839SS**  trans-77.594.1178.3-104.1-97.5000110.3
682S30.3Very low29.6Very low115 Ų115159.7 Ų159.780%0.80484%0.838SS**  trans-101.985.8170.851.30000111.5S680 F684S680-S682 PolarHBondContact O-N 3.03Å; S680-S682 VanDerWaalsContact O-N 3.14Å; S682-F684 PolarHBondContact O-N 2.96Å
683G31.5Very low29.3Very low67 Ų67161.9 Ų161.969%0.69184%0.837SS**  trans-86.1102171.400000112.1
684F27.2Very low29.1Very low208 Ų208164.4 Ų164.491%0.91284%0.842SS**  trans-176.5105.9141.3-107-66.9000111.3S682S682-F684 PolarHBondContact O-N 2.96Å
685S26.3Very low28.6Very low118 Ų118157.9 Ų157.983%0.82583%0.827SS**  trans-93.7130.6174.4-56.20000111.2
686I27.1Very low28.6Very low166 Ų166155.2 Ų155.285%0.85183%0.827SS**  trans-129.4128.2159.1-80.6-178.8000108.1
687S28.7Very low28.2Very low111 Ų111151.6 Ų151.678%0.77682%0.823SS**  trans-75.4143.2-169.4-46.20000113.1
688Q25.6Very low27.9Very low197 Ų197152.6 Ų152.692%0.92182%0.82SS**  trans-70.7141160.5-70.4-178.9-12.900110.2
689A26.8Very low27.7Very low95 Ų95153.6 Ų153.679%0.78582%0.822SS**  trans-139.878.8172.700000110.6
690K26.2Very low27.4Very low173 Ų173147.7 Ų147.775%0.75282%0.822SS**  trans40.396.4146.8-170165.9174.71710117.3D692K690-D692 WeakPolarHBondContact CE-OD2 3.34Å; K690-D692 IonicContact NZ-OD2 2.65Å; K690-D692 PolarHBondContact NZ-OD2 3.46Å
691E26.7Very low27.3Very low195 Ų195145.7 Ų145.791%0.91182%0.819SS**  trans-76.3134.8156.9-63-175.6161.200109.4
692D24Very low27.3Very low131 Ų131141.1 Ų141.170%0.70182%0.816SS**  trans-139.5155.4171-108.9-35000110.1K690K690-D692 WeakPolarHBondContact CE-OD2 3.34Å; K690-D692 IonicContact NZ-OD2 2.65Å; K690-D692 PolarHBondContact NZ-OD2 3.46Å
693F25.4Very low27Very low178 Ų178139.1 Ų139.178%0.78181%0.813SS**  trans-72.3146.8-162.3-134.2-119.7000114.7
694F25.3Very low26.9Very low198 Ų198140.2 Ų140.287%0.86882%0.824SS**  -177.7159.4106.5-105.7-74.4000114.2
695G24.6Very low26.9Very low58 Ų58134.1 Ų134.160%0.59882%0.82SS**  trans-91.8-173.617800000115
696P38Very low27Very low134 Ų134132.8 Ų132.887%0.8783%0.825SS**  trans-92154.6-163.635.7-36.5000115.2
697S26.2Very low27.1Very low119 Ų119129 Ų12983%0.83283%0.827SS**  trans-138.4151.4162.556.80000111.3
698F25.9Very low27.1Very low196 Ų196127.1 Ų127.186%0.8683%0.825SS**  trans-112.5170.6179.3-112.8-103.3000109.9
699F26.3Very low27.3Very low196 Ų196123 Ų12386%0.8683%0.825SS**  trans81.5140167.8-79.9-82.3000120.7
700A27.2Very low27.5Very low105 Ų105123.3 Ų123.387%0.86883%0.827SS**  trans63.1151.7165.100000119
701G25.5Very low27.7Very low72 Ų72120 Ų12074%0.74283%0.833SS**  cis152.2108.1-15.500000116.1
702S27.8Very low27.8Very low132 Ų132120.1 Ų120.192%0.92383%0.833SS**  trans66139.3158.9-158.10000120.8
703G25.9Very low27.9Very low73 Ų73117.6 Ų117.675%0.75383%0.831SS**  trans118.689.9130.700000121.2
704G28.5Very low28Very low89 Ų89116.3 Ų116.392%0.91884%0.837SS**  trans73.6160.9148.900000119.3
705G27.8Very low28Very low80 Ų80110.6 Ų110.683%0.82583%0.834SS**  cis167.7122.1-12.300000115.1
706G28.6Very low28.1Very low91 Ų91111.8 Ų111.894%0.93885%0.846SS**  trans75.9153.617500000115.3
707G29Very low27.5Very low85 Ų85117.2 Ų117.288%0.87685%0.849SS**  cis164.3152-6.600000109.3
708G28.2Very low27.5Very low73 Ų73117 Ų11775%0.75385%0.848SS**  cis177.5174.9-5.900000111.1
709A30.4Very low27.6Very low110 Ų110115.7 Ų115.791%0.90985%0.848SS**  trans65.5146.1172.100000118.2
710A29.3Very low27.6Very low101 Ų101111.8 Ų111.884%0.83584%0.844SS**  cis-157.7150.4-900000111.9
711A30.3Very low27.6Very low105 Ų105111.3 Ų111.387%0.86884%0.84SS**  trans172.9144.2144.500000111.4
712E28.9Very low27.6Very low196 Ų196118.7 Ų118.792%0.91685%0.845SS**  trans-104.9161.9-179.2-84.5-162.2144.700111.8
713A26.7Very low27.6Very low79 Ų79118.9 Ų118.965%0.65384%0.84SS**  cis-164.9-167.1-9.900000110.1
714V27.5Very low27.6Very low151 Ų151125.4 Ų125.492%0.91584%0.842SS**  trans87.9109.1167.2-1700000117.8
715G25.7Very low27.6Very low78 Ų78126.8 Ų126.880%0.80484%0.835SS**  110.525.3128.700000121.9
716G26.2Very low27.7Very low83 Ų83133 Ų13386%0.85684%0.84SS**PPolyproline II helixtrans-97.1122177.100000115.4
717R26.3Very low27.7Very low247 Ų247135.7 Ų135.793%0.93283%0.831SS**PPolyproline II helixtrans-91.9142.7172.6-100.5-178.7171.8166.4-1.8112.2
718S25.9Very low27.8Very low114 Ų114136.2 Ų136.280%0.79783%0.827SS**PPolyproline II helixtrans-68.3133.6175.953.10000113C720S718-C720 PolarHBondContact O-N 3.05Å
719I27.4Very low27.8Very low170 Ų170141.6 Ų141.687%0.87283%0.833SS**  trans-82.4100.1173.4-62.3177.8000108.8
720C27.4Very low27.8Very low113 Ų113139.6 Ų139.676%0.76482%0.823SS**  trans-85.7122171-166.60000109.8S718 R722S718-C720 PolarHBondContact O-N 3.05Å; C720-R722 PolarHBondContact O-N 3.46Å
721A26.2Very low27.8Very low95 Ų95144.4 Ų144.479%0.78583%0.828SS**  trans-70.884.6-173.700000112.5V723A721-V723 PolarHBondContact O-N 3.32Å; A721-V723 VanDerWaalsContact O-N 3.1Å
722R25.5Very low27.8Very low227 Ų227143.4 Ų143.486%0.85782%0.815SS**  trans-75.796.1-175.7-174.5177.3179.5174.70.5112.2C720 R724C720-R722 PolarHBondContact O-N 3.46Å; R722-R724 PolarHBondContact O-N 2.96Å
723V27.6Very low27.7Very low136 Ų136142.2 Ų142.282%0.82482%0.815SS**PPolyproline II helixtrans-53.6123.8169.5179.90000110.3A721A721-V723 PolarHBondContact O-N 3.32Å; A721-V723 VanDerWaalsContact O-N 3.1Å
724R25.8Very low28.1Very low210 Ų210144.1 Ų144.179%0.79282%0.819SS**PPolyproline II helixtrans-95.2138.8170.1-78.6-178.2170.6169.5-3110.1R722R722-R724 PolarHBondContact O-N 2.96Å
725P29Very low28.3Very low118 Ų118144.6 Ų144.677%0.76682%0.816SS**PPolyproline II helixtrans-75.5129172.330.9-32.6000110.4I727P725-I727 PolarHBondContact O-N 2.94Å
726F29.6Very low28.6Very low211 Ų211145.6 Ų145.693%0.92581%0.811SS**  trans-76.2107.6168.3-80.7-90.4000109.8
727I28.9Very low28.7Very low148 Ų148149.1 Ų149.176%0.75981%0.81SS**  trans-85.1122.5154.4-65.1175.2000105.7P725P725-I727 PolarHBondContact O-N 2.94Å
728A30.6Very low29Very low96 Ų96145.7 Ų145.779%0.79381%0.809SS**  trans-82.2114.3168.200000108.1
729E29.4Very low29.1Very low185 Ų185151.6 Ų151.686%0.86482%0.816SS**  trans-66.6134162.7-64.7-175.1142.400108E731E729-E731 PolarHBondContact O-N 3.32Å
730G30.3Very low29.2Very low69 Ų69147.9 Ų147.971%0.71181%0.81SS**  trans-88.6104.6-17700000110.7S732G730-S732 PolarHBondContact O-N 3.42Å
731E27.6Very low29.4Very low201 Ų201148.6 Ų148.694%0.93981%0.813SS**  trans-59109.4157.7-72.6-176.8118.900108.2E729E729-E731 PolarHBondContact O-N 3.32Å
732S31.3Very low29.4Very low85 Ų85149.5 Ų149.559%0.59481%0.814SS**  trans-95.2118.7172.858.60000109.2G730 T734G730-S732 PolarHBondContact O-N 3.42Å; S732-T734 PolarHBondContact O-N 3.06Å
733D26.9Very low29.6Very low171 Ų171144.7 Ų144.791%0.91481%0.812SS**  trans-57.197.7168.4-69.5-50.3000110.4
734T35.4Very low29.7Very low119 Ų119146.4 Ų146.473%0.7382%0.816SS**  trans-102.767.6177.550.30000111.6S732 S736S732-T734 PolarHBondContact O-N 3.06Å; T734-S736 PolarHBondContact O-N 2.91Å
735D31.1Very low29.7Very low160 Ų160142.2 Ų142.286%0.85682%0.819SS**  trans-77.183.4172.9-152.814.3000109.9
736S31.5Very low29.6Very low99 Ų99146 Ų14669%0.69282%0.823SS**  trans-168.5152.5162.1-74.40000113.6T734T734-S736 PolarHBondContact O-N 2.91Å
737D28.3Very low29.6Very low157 Ų157142.2 Ų142.284%0.8482%0.818SS**  trans72.166.5155.8-55.1-19.2000119.3Y739D737-Y739 PolarHBondContact O-N 3.07Å
738L33.4Very low29.5Very low175 Ų175138.1 Ų138.192%0.91681%0.812SS**  trans-73.1103.3153.8-86.3170.5000110.6
739Y28.8Very low29.3Very low239 Ų239141.6 Ų141.694%0.93782%0.817SS**  trans-157.783.1163.5-124.2-76.1000113.4D737D737-Y739 PolarHBondContact O-N 3.07Å
740A29.2Very low29.2Very low91 Ų91137 Ų13775%0.75281%0.811SS**  trans-155.1145.3163.200000109.5
741P31.3Very low29Very low128 Ų128138.9 Ų138.983%0.83181%0.814SS**PPolyproline II helixtrans-80.4145.6-173.232-35.3000113.2
742S25.8Very low29Very low115 Ų115136 Ų13680%0.80481%0.814SS**PPolyproline II helixtrans-76.4136170.2-50.60000111.3
743P30.8Very low28.8Very low126 Ų126135.6 Ų135.682%0.81882%0.823SS**PPolyproline II helixtrans-75.5135.716731.4-32.5000110.2
744L28.9Very low28.9Very low172 Ų172134.5 Ų134.590%0.90181%0.813SS**PPolyproline II helixtrans-77.9133.1172.1-80165.5000110.6
745S26.5Very low28.6Very low121 Ų121139.1 Ų139.185%0.84682%0.817SS**PPolyproline II helixtrans-77.2118.2163540000109.7
746F25.2Very low28.6Very low198 Ų198135 Ų13587%0.86881%0.813SS**  trans-129.5135.7168.7-159.8-91.6000109.9
747T30.1Very low28.6Very low131 Ų131142.1 Ų142.180%0.80482%0.824SS**  trans-101.5127.4-178.948.30000110.3
748G26.7Very low29.4Very low63 Ų63140.6 Ų140.665%0.64982%0.823SS**  trans164.495.5171.700000115.3
749D27.1Very low29.3Very low168 Ų168134.8 Ų134.890%0.89881%0.805SS**  trans56.3162.9145-62.2-36.4000124
750A26.3Very low29.7Very low89 Ų89131.6 Ų131.674%0.73680%0.803SS**  trans79.592.4157.900000120.9
751S27.5Very low29.9Very low109 Ų109140.7 Ų140.776%0.76283%0.826SS**  63.8116.6125.965.30000122.9
752C26.4Very low29.8Very low139 Ų139141.4 Ų141.494%0.93983%0.826SS**  61.7122.1125.1-154.70000120.9
753G27.3Very low30Very low77 Ų77142.7 Ų142.779%0.79483%0.827SS**  trans170.4113.7165.200000112.7
754E29.1Very low30Very low149 Ų149143.7 Ų143.770%0.69683%0.827SS**  trans-84.7165.7174.3-67.2-17882.100113.2
755R30.3Very low30Very low216 Ų216142 Ų14282%0.81582%0.823SS**  trans78.6137.8140.8-116.9170.7-81.6-164.5-5118.7
756G29.5Very low30.2Very low74 Ų74143.3 Ų143.376%0.76382%0.822SS**  trans138.379.6158.100000117.4
757W32.7Very low30.6Very low247 Ų247139.7 Ų139.794%0.93682%0.818SS**  trans-78.2144.8152.7-7964.6000108.5
758P44.2Very low30.6Very low126 Ų126140.3 Ų140.382%0.81882%0.82SS**  -136.9-179.675.922.50.7000113.1
759G32Very low30.9Very low52 Ų52146.2 Ų146.254%0.53683%0.833SS.*  cis135.597.6-1.500000112.9
760L35.8Very low31.2Very low172 Ų172144.4 Ų144.490%0.90183%0.827SS**  trans50.8113.6170.5-66.491000119.2
761K33.6Very low31.7Very low283 Ų283149.5 Ų149.5100%1.2384%0.835SS**  -163.50100.3-105.9170.7-178.3174.40112.5

Retrieved 761 of 761 residues in 146.3 ms (Link to these results)