A0A087XUE7_POEFO Loading...

Sorting nexin-17

Critical regulator of endosomal recycling of numerous surface proteins, including integrins, signaling receptor and channels. Binds to NPxY sequences in the cytoplasmic tails of target cargos. Associates with retriever and CCC complexes to prevent lysosomal degradation and promote cell surface recycling of numerous cargos such as integrins ITGB1, ITGB5 and their associated alpha subunits. Also required for maintenance of normal cell surface levels of APP and LRP1. Interacts with membranes containing phosphatidylinositol 3-phosphate (PtdIns(3P)).

AlphaFold DB , UniProt , Accession A0A087XUE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1M71.6Confident86.9Confident50 Ų5050.5 Ų50.525%0.24626%0.261CS..  0133.60177.5-176.8-64.700108.4F3 V26 Q179 F181M1-F3 HydrophobicContact CG-CE2 4.16Å; M1-F3 HydrophobicContact SD-CE2 3.71Å; M1-F3 HydrophobicContact SD-CZ 4.3Å; M1-V26 HydrophobicContact CG-CG1 4.1Å; M1-V26 HydrophobicContact SD-CG1 4.13Å; M1-Q179 HydrophobicContact CE-CB 3.79Å; M1-Q179 HydrophobicContact CE-CG 3.3Å; M1-F181 HydrophobicContact CE-CE1 3.44Å; M1-F181 VanDerWaalsContact CE-CE1 3.44Å; M1-F181 HydrophobicContact CE-CZ 3.75Å; M1-F181 HydrophobicContact SD-CE1 3.25Å; M1-F181 WeakPolarHBondContact SD-CE1 3.48Å; M1-F181 HydrophobicContact SD-CZ 3.31Å; M1-F181 WeakPolarHBondContact SD-CZ 2.78Å
2H76.8Confident86.8Confident63 Ų6354.5 Ų54.529%0.29230%0.297SS..  trans-112.7122.3-171.4-176.369.5000111N27H2-N27 PolarHBondContact N-OD1 3.14Å; H2-N27 PolarHBondContact O-N 3.36Å
3F88.1Confident86Confident3 Ų351.8 Ų51.81%0.01329%0.289CS..EExtended strand (participates in β ladder)trans-98.2134170.3-79.1-100.4000108.7M1 I24 H25 V26 M82 Q83 R86 F97 L101 F181M1-F3 HydrophobicContact CG-CE2 4.16Å; M1-F3 HydrophobicContact SD-CE2 3.71Å; M1-F3 HydrophobicContact SD-CZ 4.3Å; F3-I24 HydrophobicContact CD1-CG2 3.83Å; F3-I24 HydrophobicContact CE1-CG2 4.29Å; F3-H25 WeakPolarHBondContact CA-O 3.34Å; F3-V26 HydrophobicContact CD1-CG2 3.79Å; F3-V26 HydrophobicContact CE1-CG2 3.4Å; F3-V26 HydrophobicContact CE2-CG2 4.49Å; F3-V26 HydrophobicContact CG-CG2 4.5Å; F3-V26 HydrophobicContact CZ-CG2 3.78Å; F3-M82 HydrophobicContact CB-CB 4.28Å; F3-M82 HydrophobicContact CD1-CE 3.87Å; F3-M82 HydrophobicContact CE1-CE 3.89Å; F3-Q83 HydrophobicContact CB-CG 4.26Å; F3-Q83 WeakPolarHBondContact O-CG 3.39Å; F3-Q83 PolarHBondContact O-NE2 3.29Å; F3-R86 HydrophobicContact CD2-CB 3.93Å; F3-R86 HydrophobicContact CD2-CG 3.92Å; F3-R86 HydrophobicContact CE2-CB 3.9Å; F3-R86 HydrophobicContact CE2-CG 3.62Å; F3-F97 HydrophobicContact CE1-CZ 4.32Å; F3-F97 HydrophobicContact CE2-CE1 4.49Å; F3-F97 HydrophobicContact CZ-CE1 4.16Å; F3-F97 HydrophobicContact CZ-CZ 4.1Å; F3-L101 HydrophobicContact CE1-CD1 3.97Å; F3-L101 HydrophobicContact CE1-CD2 3.84Å; F3-L101 HydrophobicContact CZ-CD1 3.65Å; F3-L101 HydrophobicContact CZ-CD2 4.39Å; F3-F181 HydrophobicContact CZ-CZ 4.21Å
4S88.8Confident85.1Confident12 Ų1262.1 Ų62.18%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-136.9159.2171.559.30000110.7H25 E79S4-H25 PolarHBondContact N-O 3.24Å; S4-H25 PolarHBondContact O-N 3.4Å; S4-E79 WeakPolarHBondContact CA-OE2 3.11Å
5I93.3Very high84.7Confident1 Ų166.7 Ų66.71%0.00536%0.358CS..  trans-127.873.9174.2-51.2-176.5000106.6E7 Y22 N23 I24 R75 L78 E79I5-E7 PolarHBondContact O-N 3Å; I5-Y22 HydrophobicContact CG2-CD1 4.26Å; I5-N23 WeakPolarHBondContact CA-O 3.48Å; I5-I24 HydrophobicContact CD1-CG1 4.29Å; I5-I24 HydrophobicContact CG1-CG1 4.23Å; I5-R75 HydrophobicContact CB-CG 4.05Å; I5-R75 HydrophobicContact CG2-CG 3.59Å; I5-R75 WeakPolarHBondContact O-CD 3.32Å; I5-R75 WeakPolarHBondContact O-CG 3.5Å; I5-R75 PolarHBondContact O-NH1 3.46Å; I5-L78 HydrophobicContact CD1-CB 3.79Å; I5-E79 HydrophobicContact CB-CB 4.25Å; I5-E79 HydrophobicContact CD1-CB 4.14Å; I5-E79 HydrophobicContact CG1-CB 3.98Å; I5-E79 HydrophobicContact CG1-CG 4.41Å; I5-E79 PolarHBondContact N-OE2 3.47Å
6P86.5Confident84.3Confident48 Ų4866.4 Ų66.431%0.31238%0.375SS..  trans-65.1-23.7-17025.5-35000113.5N23 H25P6-N23 WeakPolarHBondContact CD-O 3.49Å; P6-H25 HydrophobicContact CG-CB 4.45Å
7E88.9Confident84.3Confident90 Ų9065.9 Ų65.942%0.42138%0.378SS..  trans-151.5164.8-17564-176.7-172.400112.5I5 N23I5-E7 PolarHBondContact O-N 3Å; E7-N23 HydrophobicContact CG-CB 3.85Å; E7-N23 PolarHBondContact O-N 3.37Å; E7-N23 PolarHBondContact OE1-ND2 3.48Å
8T93.1Very high84.5Confident49 Ų4967.3 Ų67.330%0.30139%0.392SS..EExtended strand (participates in β ladder)trans-124.7145.317162.50000109.9V20 A21 Y22 V71 R75T8-V20 HydrophobicContact CG2-CG1 4.24Å; T8-A21 CarbonylContact C-O 3.42Å; T8-A21 VanDerWaalsContact CA-O 3.24Å; T8-A21 WeakPolarHBondContact CA-O 3.4Å; T8-A21 WeakPolarHBondContact CB-O 3.31Å; T8-Y22 HydrophobicContact CG2-CD1 3.6Å; T8-Y22 HydrophobicContact CG2-CE1 3.76Å; T8-Y22 HydrophobicContact CG2-CG 4.45Å; T8-V71 HydrophobicContact CG2-CG1 4.11Å; T8-R75 HydrophobicContact CG2-CB 4.08Å; T8-R75 HydrophobicContact CG2-CG 3.86Å
9E91.9Very high84.7Confident47 Ų4767.8 Ų67.822%0.2239%0.387CS..EExtended strand (participates in β ladder)trans-124.6143.9177.460.1-178.5-130.700110.7R11 A21 N23 R33E9-R11 HydrophobicContact CG-CG 4.02Å; E9-R11 WeakPolarHBondContact OE1-CD 3.37Å; E9-R11 WeakPolarHBondContact OE1-CG 3.49Å; E9-R11 IonicContact OE1-CZ 3.62Å; E9-R11 IonicContact OE1-NE 3.5Å; E9-R11 IonicContact OE1-NH1 3.35Å; E9-R11 PolarHBondContact OE1-NH1 3.1Å; E9-A21 HydrophobicContact CG-CB 3.83Å; E9-A21 PolarHBondContact N-O 3.48Å; E9-A21 PolarHBondContact O-N 2.86Å; E9-N23 PolarHBondContact OE2-ND2 3.31Å; E9-N23 PolarHBondContact OE2-OD1 3.11Å; E9-R33 WeakPolarHBondContact OE1-CD 3.01Å; E9-R33 IonicContact OE1-NE 3.31Å; E9-R33 PolarHBondContact OE1-NE 3.35Å; E9-R33 IonicContact OE2-CZ 3.53Å; E9-R33 IonicContact OE2-NE 3.42Å; E9-R33 PolarHBondContact OE2-NE 2.89Å; E9-R33 IonicContact OE2-NH2 2.74Å
10V90.9Very high85.2Confident111 Ų11166.5 Ų66.567%0.67338%0.38SS*.EExtended strand (participates in β ladder)trans-87.9122.2171.6-179.10000107.9Y19V10-Y19 WeakPolarHBondContact CA-O 3.2Å
11R86.6Confident85.6Confident82 Ų8263.4 Ų63.431%0.30936%0.363SS..EExtended strand (participates in β ladder)trans-119.8153.9178.3-60.4-168.778.1123.2-8.5110.9E9 S18 Y19 A21E9-R11 HydrophobicContact CG-CG 4.02Å; E9-R11 WeakPolarHBondContact OE1-CD 3.37Å; E9-R11 WeakPolarHBondContact OE1-CG 3.49Å; E9-R11 IonicContact OE1-CZ 3.62Å; E9-R11 IonicContact OE1-NE 3.5Å; E9-R11 IonicContact OE1-NH1 3.35Å; E9-R11 PolarHBondContact OE1-NH1 3.1Å; R11-S18 CarbonylContact O-C 3.51Å; R11-S18 VanDerWaalsContact O-CA 3.27Å; R11-S18 WeakPolarHBondContact O-CA 3.49Å; R11-Y19 HydrophobicContact CB-CD1 4.42Å; R11-Y19 HydrophobicContact CB-CE1 3.85Å; R11-Y19 HydrophobicContact CB-CE2 4.11Å; R11-Y19 PolarHBondContact N-O 3.21Å; R11-Y19 WeakPolarHBondContact O-CD1 3.32Å; R11-Y19 PolarHBondContact O-N 3.24Å; R11-A21 HydrophobicContact CG-CB 4.18Å
12S85.4Confident86.8Confident98 Ų9861.2 Ų61.269%0.68535%0.352SS*.EExtended strand (participates in β ladder)trans-87.3131.7168.9-55.30000109.9
13G76.3Confident87.7Confident19 Ų1958.2 Ų58.220%0.19634%0.338CS..  trans-75.8167.1167.500000111.5N15 G16 S17G13-N15 PolarHBondContact O-N 3.29Å; G13-G16 PolarHBondContact O-N 2.92Å; G13-S17 PolarHBondContact N-O 3.08Å
14E74.1Confident88Confident197 Ų19758 Ų5892%0.92134%0.337SS*.THydrogen-bonded Turntrans-59.3-28.8-179.4-63.2178.5167.200113G16E14-G16 VanDerWaalsContact C-N 3.28Å; E14-G16 PolarHBondContact O-N 3.33Å
15N78.5Confident88.1Confident131 Ų13158.9 Ų58.970%0.70134%0.34SS*.THydrogen-bonded Turntrans-85.78.4176.264.7-2.5000113.9G13 S17G13-N15 PolarHBondContact O-N 3.29Å; N15-S17 PolarHBondContact ND2-OG 2.77Å; N15-S17 PolarHBondContact O-N 2.67Å; N15-S17 WeakPolarHBondContact OD1-CB 3.42Å; N15-S17 PolarHBondContact OD1-N 3.05Å; N15-S17 VanDerWaalsContact OD1-N 3.08Å; N15-S17 PolarHBondContact OD1-OG 2.97Å
16G78.2Confident87.8Confident61 Ų6159.3 Ų59.363%0.62934%0.342SS*.SBendtrans78-3.4-177.800000115.4G13 E14G13-G16 PolarHBondContact O-N 2.92Å; E14-G16 VanDerWaalsContact C-N 3.28Å; E14-G16 PolarHBondContact O-N 3.33Å
17S84Confident87.3Confident59 Ų5957.5 Ų57.541%0.41333%0.33SS..  trans-73.9141.2174.268.10000111.1G13 N15G13-S17 PolarHBondContact N-O 3.08Å; N15-S17 PolarHBondContact ND2-OG 2.77Å; N15-S17 PolarHBondContact O-N 2.67Å; N15-S17 WeakPolarHBondContact OD1-CB 3.42Å; N15-S17 PolarHBondContact OD1-N 3.05Å; N15-S17 VanDerWaalsContact OD1-N 3.08Å; N15-S17 PolarHBondContact OD1-OG 2.97Å
18S87.5Confident86.7Confident90 Ų9054.4 Ų54.463%0.62932%0.322SS*.EExtended strand (participates in β ladder)trans-85.3145.9175.160.10000111.7R11R11-S18 CarbonylContact O-C 3.51Å; R11-S18 VanDerWaalsContact O-CA 3.27Å; R11-S18 WeakPolarHBondContact O-CA 3.49Å
19Y89.6Confident86.2Confident77 Ų7754.8 Ų54.830%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-139.9157.6173.468.6-87.7000110.9V10 R11 A21 R35V10-Y19 WeakPolarHBondContact CA-O 3.2Å; R11-Y19 HydrophobicContact CB-CD1 4.42Å; R11-Y19 HydrophobicContact CB-CE1 3.85Å; R11-Y19 HydrophobicContact CB-CE2 4.11Å; R11-Y19 PolarHBondContact N-O 3.21Å; R11-Y19 WeakPolarHBondContact O-CD1 3.32Å; R11-Y19 PolarHBondContact O-N 3.24Å; Y19-A21 HydrophobicContact CD2-CB 4.48Å; Y19-A21 HydrophobicContact CE2-CB 4Å; Y19-R35 HydrophobicContact CD2-CB 3.75Å; Y19-R35 HydrophobicContact CE2-CB 4.05Å
20V93.3Very high86.1Confident42 Ų4254.6 Ų54.626%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-88.4122.6173-178.40000108.9T8 Y22 V71T8-V20 HydrophobicContact CG2-CG1 4.24Å; V20-Y22 HydrophobicContact CG1-CE2 4.28Å; V20-V71 HydrophobicContact CG1-CG1 3.9Å; V20-V71 HydrophobicContact CG2-CG2 4.36Å
21A95.2Very high86.2Confident1 Ų149.6 Ų49.61%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-97.7142.6168.400000110.1T8 E9 R11 Y19 V34T8-A21 CarbonylContact C-O 3.42Å; T8-A21 VanDerWaalsContact CA-O 3.24Å; T8-A21 WeakPolarHBondContact CA-O 3.4Å; T8-A21 WeakPolarHBondContact CB-O 3.31Å; E9-A21 HydrophobicContact CG-CB 3.83Å; E9-A21 PolarHBondContact N-O 3.48Å; E9-A21 PolarHBondContact O-N 2.86Å; R11-A21 HydrophobicContact CG-CB 4.18Å; Y19-A21 HydrophobicContact CD2-CB 4.48Å; Y19-A21 HydrophobicContact CE2-CB 4Å; A21-V34 WeakPolarHBondContact CA-O 3.41Å
22Y96.4Very high86.6Confident4 Ų445.7 Ų45.72%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-104.4120.2176.7-63-88.7000107.7I5 T8 V20 I24 V34 R74 R75 L78I5-Y22 HydrophobicContact CG2-CD1 4.26Å; T8-Y22 HydrophobicContact CG2-CD1 3.6Å; T8-Y22 HydrophobicContact CG2-CE1 3.76Å; T8-Y22 HydrophobicContact CG2-CG 4.45Å; V20-Y22 HydrophobicContact CG1-CE2 4.28Å; Y22-I24 PolarHBondContact O-N 2.89Å; Y22-V34 WeakPolarHBondContact CD2-O 3.41Å; Y22-V34 PolarHBondContact N-O 2.82Å; Y22-V34 PolarHBondContact O-N 2.65Å; Y22-V34 VanDerWaalsContact O-N 3.11Å; Y22-R74 HydrophobicContact CE1-CG 4.45Å; Y22-R74 WeakPolarHBondContact OH-CD 3.28Å; Y22-R74 WeakPolarHBondContact OH-CG 3.33Å; Y22-R75 HydrophobicContact CD1-CB 4.18Å; Y22-R75 HydrophobicContact CD1-CG 4.22Å; Y22-R75 HydrophobicContact CE1-CB 4.03Å; Y22-L78 HydrophobicContact CD1-CD1 3.74Å; Y22-L78 HydrophobicContact CD2-CD1 3.87Å; Y22-L78 HydrophobicContact CE1-CD1 3.67Å; Y22-L78 HydrophobicContact CE2-CD1 3.8Å; Y22-L78 HydrophobicContact CG-CD1 3.85Å
23N95.1Very high87.1Confident0 Ų044.4 Ų44.40%026%0.259CS..EExtended strand (participates in β ladder)trans-84.497.9-176.5-71.14.9000108.2I5 P6 E7 E9 H25 L30 R33I5-N23 WeakPolarHBondContact CA-O 3.48Å; P6-N23 WeakPolarHBondContact CD-O 3.49Å; E7-N23 HydrophobicContact CG-CB 3.85Å; E7-N23 PolarHBondContact O-N 3.37Å; E7-N23 PolarHBondContact OE1-ND2 3.48Å; E9-N23 PolarHBondContact OE2-ND2 3.31Å; E9-N23 PolarHBondContact OE2-OD1 3.11Å; N23-H25 PolarHBondContact O-CD2 2.82Å; N23-H25 PolarHBondContact O-N 3.01Å; N23-L30 HydrophobicContact CB-CD1 3.85Å; N23-R33 WeakPolarHBondContact OD1-CG 3.36Å
24I94.9Very high88Confident0 Ų043.6 Ų43.60%025%0.25CC..EExtended strand (participates in β ladder)trans-81.5115.1179.8-61.4178000108.5F3 I5 Y22 H31 C32 V34 L39 M82F3-I24 HydrophobicContact CD1-CG2 3.83Å; F3-I24 HydrophobicContact CE1-CG2 4.29Å; I5-I24 HydrophobicContact CD1-CG1 4.29Å; I5-I24 HydrophobicContact CG1-CG1 4.23Å; Y22-I24 PolarHBondContact O-N 2.89Å; I24-H31 PolarHBondContact O-N 3.03Å; I24-C32 PolarHBondContact N-O 3.2Å; I24-C32 PolarHBondContact O-N 3.44Å; I24-V34 HydrophobicContact CD1-CG2 3.41Å; I24-V34 VanDerWaalsContact CD1-CG2 3.41Å; I24-V34 HydrophobicContact CG1-CG2 4.05Å; I24-L39 HydrophobicContact CD1-CD1 4.39Å; I24-L39 HydrophobicContact CD1-CD2 4.08Å; I24-M82 HydrophobicContact CD1-CE 4.18Å
25H90.6Very high89Confident30 Ų3040.1 Ų40.114%0.13923%0.229CC..EExtended strand (participates in β ladder)trans-97.3133.5171.5-72.4-136.3000109.3F3 S4 P6 N23 G28 V29F3-H25 WeakPolarHBondContact CA-O 3.34Å; S4-H25 PolarHBondContact N-O 3.24Å; S4-H25 PolarHBondContact O-N 3.4Å; P6-H25 HydrophobicContact CG-CB 4.45Å; N23-H25 PolarHBondContact O-CD2 2.82Å; N23-H25 PolarHBondContact O-N 3.01Å; H25-G28 PolarHBondContact ND1-O 3.41Å; H25-G28 VanDerWaalsContact ND1-O 3.09Å; H25-V29 CarbonylContact C-O 3.5Å; H25-V29 WeakPolarHBondContact CA-O 3.04Å; H25-V29 WeakPolarHBondContact CB-O 3.31Å
26V87Confident89.8Confident9 Ų935.2 Ų35.26%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-109.2123168.6177.10000106M1 F3 G28 V29 H31 F181M1-V26 HydrophobicContact CG-CG1 4.1Å; M1-V26 HydrophobicContact SD-CG1 4.13Å; F3-V26 HydrophobicContact CD1-CG2 3.79Å; F3-V26 HydrophobicContact CE1-CG2 3.4Å; F3-V26 HydrophobicContact CE2-CG2 4.49Å; F3-V26 HydrophobicContact CG-CG2 4.5Å; F3-V26 HydrophobicContact CZ-CG2 3.78Å; V26-G28 PolarHBondContact O-N 3.28Å; V26-V29 PolarHBondContact N-O 3.08Å; V26-V29 PolarHBondContact O-N 3.16Å; V26-V29 VanDerWaalsContact O-N 3.14Å; V26-H31 HydrophobicContact CB-CB 4.08Å; V26-H31 HydrophobicContact CG2-CB 3.62Å; V26-F181 HydrophobicContact CG1-CE2 4.23Å; V26-F181 HydrophobicContact CG1-CZ 3.88Å; V26-F181 HydrophobicContact CG2-CE2 4.29Å; V26-F181 HydrophobicContact CG2-CZ 4.49Å
27N76.8Confident90.6Very high11 Ų1135 Ų356%0.05919%0.189CC..THydrogen-bonded Turntrans5547173.4-82.4-4.8000110H2 V29 I370H2-N27 PolarHBondContact N-OD1 3.14Å; H2-N27 PolarHBondContact O-N 3.36Å; N27-V29 PolarHBondContact O-N 3.14Å; N27-V29 VanDerWaalsContact O-N 3.1Å; N27-I370 HydrophobicContact CB-CG2 3.35Å; N27-I370 WeakPolarHBondContact O-CD1 3.49Å
28G76.5Confident91.2Very high24 Ų2434.6 Ų34.625%0.24718%0.181CC..THydrogen-bonded Turntrans77.4-17.1176.900000115.8H25 V26H25-G28 PolarHBondContact ND1-O 3.41Å; H25-G28 VanDerWaalsContact ND1-O 3.09Å; V26-G28 PolarHBondContact O-N 3.28Å
29V82Confident91.6Very high57 Ų5730.3 Ų30.335%0.34515%0.151SC..EExtended strand (participates in β ladder)trans-98.9138-178.3-176.10000109.8H25 V26 N27 H31H25-V29 CarbonylContact C-O 3.5Å; H25-V29 WeakPolarHBondContact CA-O 3.04Å; H25-V29 WeakPolarHBondContact CB-O 3.31Å; V26-V29 PolarHBondContact N-O 3.08Å; V26-V29 PolarHBondContact O-N 3.16Å; V26-V29 VanDerWaalsContact O-N 3.14Å; N27-V29 PolarHBondContact O-N 3.14Å; N27-V29 VanDerWaalsContact O-N 3.1Å; V29-H31 PolarHBondContact O-N 3.49Å; V29-H31 VanDerWaalsContact O-N 3.15Å
30L89.1Confident92Very high43 Ų4327.4 Ų27.423%0.22514%0.141CC..EExtended strand (participates in β ladder)trans-58.5119.2172.3178.170.9000110.2N23 R33N23-L30 HydrophobicContact CB-CD1 3.85Å; L30-R33 HydrophobicContact CD1-CG 4.25Å; L30-R33 VanDerWaalsContact CD2-NH1 3.26Å
31H93Very high92.2Very high7 Ų726.6 Ų26.63%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-97.4-51.9177-175.377.4000111.1I24 V26 V29 L101 Q105 F181I24-H31 PolarHBondContact O-N 3.03Å; V26-H31 HydrophobicContact CB-CB 4.08Å; V26-H31 HydrophobicContact CG2-CB 3.62Å; V29-H31 PolarHBondContact O-N 3.49Å; V29-H31 VanDerWaalsContact O-N 3.15Å; H31-L101 PolarHBondContact NE2-O 3.29Å; H31-Q105 PolarHBondContact CE1-OE1 2.82Å; H31-F181 AromaticContact CE1-CD2 3.86Å; H31-F181 AromaticContact CE1-CE2 3.92Å
32C95.4Very high92.3Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-152.6163.1-179.865.70000112.7I24 A104 T108I24-C32 PolarHBondContact N-O 3.2Å; I24-C32 PolarHBondContact O-N 3.44Å; C32-A104 VanDerWaalsContact CB-C 3.47Å; C32-A104 HydrophobicContact CB-CB 3.62Å; C32-A104 WeakPolarHBondContact CB-O 3.36Å; C32-T108 VanDerWaalsContact CA-OG1 3.26Å; C32-T108 WeakPolarHBondContact CA-OG1 3.41Å; C32-T108 WeakPolarHBondContact CB-OG1 3.26Å
33R95.2Very high92.3Very high71 Ų7127.6 Ų27.627%0.26815%0.145SC..EExtended strand (participates in β ladder)trans-118.8119.3173.7-62.7178.8168.188.25108.3E9 N23 L30 T108E9-R33 WeakPolarHBondContact OE1-CD 3.01Å; E9-R33 IonicContact OE1-NE 3.31Å; E9-R33 PolarHBondContact OE1-NE 3.35Å; E9-R33 IonicContact OE2-CZ 3.53Å; E9-R33 IonicContact OE2-NE 3.42Å; E9-R33 PolarHBondContact OE2-NE 2.89Å; E9-R33 IonicContact OE2-NH2 2.74Å; N23-R33 WeakPolarHBondContact OD1-CG 3.36Å; L30-R33 HydrophobicContact CD1-CG 4.25Å; L30-R33 VanDerWaalsContact CD2-NH1 3.26Å; R33-T108 HydrophobicContact CB-CG2 4.1Å; R33-T108 HydrophobicContact CG-CG2 3.76Å; R33-T108 PolarHBondContact N-OG1 3.35Å
34V96.1Very high92.4Very high1 Ų132.7 Ų32.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-131.1146.3-174.9-62.40000111.4A21 Y22 I24 Q38 L39 F100 A104A21-V34 WeakPolarHBondContact CA-O 3.41Å; Y22-V34 WeakPolarHBondContact CD2-O 3.41Å; Y22-V34 PolarHBondContact N-O 2.82Å; Y22-V34 PolarHBondContact O-N 2.65Å; Y22-V34 VanDerWaalsContact O-N 3.11Å; I24-V34 HydrophobicContact CD1-CG2 3.41Å; I24-V34 VanDerWaalsContact CD1-CG2 3.41Å; I24-V34 HydrophobicContact CG1-CG2 4.05Å; V34-Q38 VanDerWaalsContact CA-OE1 3.27Å; V34-Q38 HydrophobicContact CB-CB 4.33Å; V34-L39 HydrophobicContact CG2-CD1 3.73Å; V34-L39 HydrophobicContact CG2-CD2 4.08Å; V34-L39 HydrophobicContact CG2-CG 3.69Å; V34-F100 HydrophobicContact CG1-CE1 4.43Å; V34-F100 HydrophobicContact CG1-CZ 3.98Å; V34-A104 HydrophobicContact CG1-CB 3.81Å
35R94.8Very high92.4Very high125 Ų12537.8 Ų37.847%0.47219%0.193SC..EExtended strand (participates in β ladder)trans-83.6156.317060.6-179.5-178.5176.32.2110.7Y19 S37 Q38 L39Y19-R35 HydrophobicContact CD2-CB 3.75Å; Y19-R35 HydrophobicContact CE2-CB 4.05Å; R35-S37 VanDerWaalsContact CD-OG 3.25Å; R35-S37 WeakPolarHBondContact CD-OG 3.41Å; R35-S37 WeakPolarHBondContact CG-OG 3.49Å; R35-S37 PolarHBondContact NE-OG 3.22Å; R35-S37 VanDerWaalsContact NE-OG 3.11Å; R35-S37 PolarHBondContact O-N 2.84Å; R35-S37 VanDerWaalsContact O-N 3.1Å; R35-Q38 HydrophobicContact CG-CB 4.33Å; R35-Q38 HydrophobicContact CG-CG 3.81Å; R35-Q38 WeakPolarHBondContact O-CB 3.15Å; R35-Q38 PolarHBondContact O-N 2.98Å; R35-L39 PolarHBondContact O-N 2.68Å
36Y95.4Very high92.7Very high27 Ų2736.3 Ų36.311%0.10619%0.186CC..Hα-helixtrans-49.2-41.5178.3169.7-92.3000113.2Q38 L39 L40 F58 P59 P60 K61 R74 L78Y36-Q38 VanDerWaalsContact C-N 3.3Å; Y36-Q38 PolarHBondContact O-N 2.79Å; Y36-L39 PolarHBondContact O-N 3.03Å; Y36-L40 HydrophobicContact CE1-CB 4.3Å; Y36-L40 HydrophobicContact CE1-CD2 4.2Å; Y36-L40 WeakPolarHBondContact O-CB 3.35Å; Y36-L40 PolarHBondContact O-N 3.09Å; Y36-F58 HydrophobicContact CD2-CE1 4.36Å; Y36-F58 HydrophobicContact CD2-CZ 4.45Å; Y36-F58 HydrophobicContact CE2-CD1 4.48Å; Y36-F58 AromaticContact CE2-CE1 3.53Å; Y36-F58 HydrophobicContact CE2-CE1 3.53Å; Y36-F58 HydrophobicContact CE2-CZ 4.04Å; Y36-F58 AromaticContact CZ-CE1 3.65Å; Y36-P59 HydrophobicContact CE2-CG 4.21Å; Y36-P59 WeakPolarHBondContact CE2-O 3.42Å; Y36-P59 PolarHBondContact OH-O 3.45Å; Y36-P60 VanDerWaalsContact OH-C 3.25Å; Y36-K61 HydrophobicContact CE1-CG 3.8Å; Y36-K61 PolarHBondContact OH-N 3.24Å; Y36-K61 VanDerWaalsContact OH-N 3.14Å; Y36-R74 HydrophobicContact CD2-CG 4.23Å; Y36-L78 HydrophobicContact CD2-CD1 4.32Å; Y36-L78 HydrophobicContact CD2-CD2 4.29Å
37S94.4Very high93.1Very high57 Ų5740.3 Ų40.340%0.39920%0.202SC..Hα-helixtrans-66.8-27-179.152.50000113.9R35 G41R35-S37 VanDerWaalsContact CD-OG 3.25Å; R35-S37 WeakPolarHBondContact CD-OG 3.41Å; R35-S37 WeakPolarHBondContact CG-OG 3.49Å; R35-S37 PolarHBondContact NE-OG 3.22Å; R35-S37 VanDerWaalsContact NE-OG 3.11Å; R35-S37 PolarHBondContact O-N 2.84Å; R35-S37 VanDerWaalsContact O-N 3.1Å; S37-G41 PolarHBondContact O-N 3.04Å
38Q96.3Very high94Very high51 Ų5148.8 Ų48.824%0.23824%0.239CC..Hα-helixtrans-68.7-47.1172.9-74.9172.3-62.800110.7V34 R35 Y36 L40 G41 L42 F100 E107V34-Q38 VanDerWaalsContact CA-OE1 3.27Å; V34-Q38 HydrophobicContact CB-CB 4.33Å; R35-Q38 HydrophobicContact CG-CB 4.33Å; R35-Q38 HydrophobicContact CG-CG 3.81Å; R35-Q38 WeakPolarHBondContact O-CB 3.15Å; R35-Q38 PolarHBondContact O-N 2.98Å; Y36-Q38 VanDerWaalsContact C-N 3.3Å; Y36-Q38 PolarHBondContact O-N 2.79Å; Q38-L40 VanDerWaalsContact C-N 3.29Å; Q38-L40 PolarHBondContact O-N 3.36Å; Q38-G41 PolarHBondContact O-N 3.01Å; Q38-L42 PolarHBondContact O-N 3.05Å; Q38-F100 HydrophobicContact CB-CE2 4.15Å; Q38-F100 HydrophobicContact CB-CZ 4.39Å; Q38-E107 PolarHBondContact NE2-OE2 3.06Å; Q38-E107 VanDerWaalsContact NE2-OE2 3.15Å
39L97.4Very high94.9Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-64.3-34.8176.3-71.8173000112.4I24 V34 R35 Y36 L42 H43 F58 L78 M82 F100I24-L39 HydrophobicContact CD1-CD1 4.39Å; I24-L39 HydrophobicContact CD1-CD2 4.08Å; V34-L39 HydrophobicContact CG2-CD1 3.73Å; V34-L39 HydrophobicContact CG2-CD2 4.08Å; V34-L39 HydrophobicContact CG2-CG 3.69Å; R35-L39 PolarHBondContact O-N 2.68Å; Y36-L39 PolarHBondContact O-N 3.03Å; L39-L42 HydrophobicContact CD2-CD2 4.48Å; L39-L42 WeakPolarHBondContact O-CB 3.27Å; L39-L42 PolarHBondContact O-N 3.24Å; L39-H43 PolarHBondContact O-N 2.64Å; L39-F58 HydrophobicContact CB-CE2 4.07Å; L39-F58 HydrophobicContact CB-CZ 3.98Å; L39-L78 HydrophobicContact CB-CD2 4.3Å; L39-L78 HydrophobicContact CD1-CB 4.37Å; L39-L78 HydrophobicContact CD1-CD1 3.98Å; L39-L78 HydrophobicContact CD1-CD2 3.85Å; L39-L78 HydrophobicContact CD1-CG 4.29Å; L39-M82 HydrophobicContact CD2-SD 3.66Å; L39-F100 HydrophobicContact CD2-CE1 3.83Å; L39-F100 HydrophobicContact CD2-CZ 3.75Å; L39-F100 HydrophobicContact CG-CZ 4.41Å
40L97.3Very high95.4Very high16 Ų1653.6 Ų53.68%0.08425%0.249CC..Hα-helixtrans-66-43.8172.9177.871000111.8Y36 Q38 L42 H43 E44 F58 K61Y36-L40 HydrophobicContact CE1-CB 4.3Å; Y36-L40 HydrophobicContact CE1-CD2 4.2Å; Y36-L40 WeakPolarHBondContact O-CB 3.35Å; Y36-L40 PolarHBondContact O-N 3.09Å; Q38-L40 VanDerWaalsContact C-N 3.29Å; Q38-L40 PolarHBondContact O-N 3.36Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.42Å; L40-H43 WeakPolarHBondContact O-CA 3.39Å; L40-H43 WeakPolarHBondContact O-CB 3.47Å; L40-H43 PolarHBondContact O-N 3.42Å; L40-E44 HydrophobicContact CD1-CG 4.34Å; L40-E44 HydrophobicContact CG-CG 4.39Å; L40-E44 WeakPolarHBondContact O-CG 3.38Å; L40-E44 PolarHBondContact O-N 2.92Å; L40-F58 VanDerWaalsContact CA-CZ 3.48Å; L40-F58 HydrophobicContact CB-CE1 3.73Å; L40-F58 HydrophobicContact CB-CZ 3.91Å; L40-F58 HydrophobicContact CD1-CD1 3.67Å; L40-F58 HydrophobicContact CD1-CE1 3.5Å; L40-F58 HydrophobicContact CD1-CZ 4.36Å; L40-F58 HydrophobicContact CG-CE1 4.21Å; L40-K61 HydrophobicContact CD2-CD 4.2Å; L40-K61 HydrophobicContact CD2-CG 4.32Å
41G97.3Very high95.6Very high24 Ų2453 Ų5325%0.24725%0.253CS..Hα-helixtrans-58.7-41.6176.500000111.7S37 Q38 E44 Q45S37-G41 PolarHBondContact O-N 3.04Å; Q38-G41 PolarHBondContact O-N 3.01Å; G41-E44 PolarHBondContact O-N 3.02Å; G41-Q45 VanDerWaalsContact O-CG 3.31Å; G41-Q45 WeakPolarHBondContact O-CG 3.46Å; G41-Q45 PolarHBondContact O-N 2.73Å; G41-Q45 VanDerWaalsContact O-N 3.08Å
42L96.8Very high95.4Very high3 Ų356.3 Ų56.32%0.01628%0.277CS..Hα-helixtrans-58.8-49170.4172.566.5000111.7Q38 L39 L40 E44 Q45 I46 F97 F100Q38-L42 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CD2-CD2 4.48Å; L39-L42 WeakPolarHBondContact O-CB 3.27Å; L39-L42 PolarHBondContact O-N 3.24Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.42Å; L42-E44 VanDerWaalsContact C-N 3.33Å; L42-E44 PolarHBondContact O-N 2.84Å; L42-Q45 PolarHBondContact O-N 2.99Å; L42-I46 HydrophobicContact CD1-CD1 3.72Å; L42-I46 HydrophobicContact CD1-CG1 3.98Å; L42-I46 HydrophobicContact CD2-CD1 4.46Å; L42-I46 HydrophobicContact CG-CD1 3.82Å; L42-I46 HydrophobicContact CG-CG1 4.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 2.62Å; L42-F97 HydrophobicContact CD2-CD2 3.97Å; L42-F97 HydrophobicContact CD2-CE2 4.27Å; L42-F100 HydrophobicContact CB-CD2 3.98Å; L42-F100 HydrophobicContact CB-CE2 4.14Å; L42-F100 HydrophobicContact CB-CG 4.34Å; L42-F100 HydrophobicContact CD1-CB 3.87Å; L42-F100 HydrophobicContact CD1-CD2 4.41Å; L42-F100 HydrophobicContact CD1-CG 4.09Å; L42-F100 HydrophobicContact CD2-CB 4.37Å; L42-F100 HydrophobicContact CD2-CD1 3.68Å; L42-F100 HydrophobicContact CD2-CD2 4.25Å; L42-F100 HydrophobicContact CD2-CE1 3.96Å; L42-F100 HydrophobicContact CD2-CE2 4.49Å; L42-F100 HydrophobicContact CD2-CG 3.84Å; L42-F100 HydrophobicContact CD2-CZ 4.36Å; L42-F100 HydrophobicContact CG-CD2 4.45Å; L42-F100 HydrophobicContact CG-CG 4.31Å
43H96.8Very high95Very high24 Ų2464.4 Ų64.411%0.11132%0.32CS..Hα-helixtrans-56.2-46.1177.8172.772.5000112.5L39 L40 Q45 I46 K47 V55 F58 Y81L39-H43 PolarHBondContact O-N 2.64Å; L40-H43 WeakPolarHBondContact O-CA 3.39Å; L40-H43 WeakPolarHBondContact O-CB 3.47Å; L40-H43 PolarHBondContact O-N 3.42Å; H43-Q45 VanDerWaalsContact C-N 3.32Å; H43-Q45 PolarHBondContact O-N 2.99Å; H43-I46 PolarHBondContact O-N 3.3Å; H43-K47 WeakPolarHBondContact O-CB 3.35Å; H43-K47 PolarHBondContact O-N 2.83Å; H43-V55 VanDerWaalsContact CE1-CG1 3.44Å; H43-V55 WeakPolarHBondContact CE1-CG1 2.98Å; H43-V55 VanDerWaalsContact ND1-CG1 3.32Å; H43-V55 WeakPolarHBondContact ND1-CG1 3.33Å; H43-F58 HydrophobicContact CB-CB 4.44Å; H43-F58 HydrophobicContact CB-CD2 3.62Å; H43-F58 HydrophobicContact CB-CE2 3.95Å; H43-F58 HydrophobicContact CB-CG 3.93Å; H43-F58 AromaticContact CD2-CG 3.95Å; H43-F58 AromaticContact CG-CD2 3.77Å; H43-F58 AromaticContact CG-CG 3.66Å; H43-F58 AromaticContact ND1-CG 3.97Å; H43-Y81 WeakPolarHBondContact CA-OH 3.38Å; H43-Y81 WeakPolarHBondContact CB-OH 3.45Å; H43-Y81 AromaticContact ND1-CE2 3.63Å; H43-Y81 AromaticContact ND1-CZ 3.82Å; H43-Y81 PolarHBondContact ND1-OH 3.07Å
44E96.8Very high94.7Very high107 Ų10763.1 Ų63.150%0.532%0.32SS..Hα-helixtrans-63.3-38.2179-71.1174.2174.600111.8L40 G41 L42 K48L40-E44 HydrophobicContact CD1-CG 4.34Å; L40-E44 HydrophobicContact CG-CG 4.39Å; L40-E44 WeakPolarHBondContact O-CG 3.38Å; L40-E44 PolarHBondContact O-N 2.92Å; G41-E44 PolarHBondContact O-N 3.02Å; L42-E44 VanDerWaalsContact C-N 3.33Å; L42-E44 PolarHBondContact O-N 2.84Å; E44-K48 VanDerWaalsContact O-CB 3.3Å; E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.1Å
45Q96.7Very high94.4Very high106 Ų10663.9 Ų63.950%0.49533%0.325SS..Hα-helixtrans-67.2-48.8175.5-70.7174.23200112G41 L42 H43 K47 K48 E49 L96G41-Q45 VanDerWaalsContact O-CG 3.31Å; G41-Q45 WeakPolarHBondContact O-CG 3.46Å; G41-Q45 PolarHBondContact O-N 2.73Å; G41-Q45 VanDerWaalsContact O-N 3.08Å; L42-Q45 PolarHBondContact O-N 2.99Å; H43-Q45 VanDerWaalsContact C-N 3.32Å; H43-Q45 PolarHBondContact O-N 2.99Å; Q45-K47 VanDerWaalsContact C-N 3.29Å; Q45-K47 PolarHBondContact O-N 3.26Å; Q45-K48 WeakPolarHBondContact O-CB 3.4Å; Q45-K48 PolarHBondContact O-N 2.91Å; Q45-E49 PolarHBondContact O-N 2.94Å; Q45-L96 HydrophobicContact CB-CD1 4.11Å
46I95.1Very high94.3Very high0 Ų059.2 Ų59.20%031%0.311CS..Hα-helixtrans-59.4-43.8176.4-65.2175.7000109.8L42 H43 K48 E49 Y50 V55 V85 L91 L96L42-I46 HydrophobicContact CD1-CD1 3.72Å; L42-I46 HydrophobicContact CD1-CG1 3.98Å; L42-I46 HydrophobicContact CD2-CD1 4.46Å; L42-I46 HydrophobicContact CG-CD1 3.82Å; L42-I46 HydrophobicContact CG-CG1 4.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 2.62Å; H43-I46 PolarHBondContact O-N 3.3Å; I46-K48 VanDerWaalsContact C-N 3.31Å; I46-K48 PolarHBondContact O-N 2.79Å; I46-E49 PolarHBondContact O-N 3.06Å; I46-Y50 HydrophobicContact CG2-CD2 3.81Å; I46-Y50 WeakPolarHBondContact O-CD2 3.45Å; I46-Y50 PolarHBondContact O-N 3.21Å; I46-V55 HydrophobicContact CB-CG2 4.46Å; I46-V55 HydrophobicContact CG2-CG1 4.21Å; I46-V55 HydrophobicContact CG2-CG2 3.65Å; I46-V85 HydrophobicContact CD1-CG1 4.12Å; I46-L91 HydrophobicContact CG2-CD1 4.02Å; I46-L91 HydrophobicContact CG2-CD2 3.74Å; I46-L91 HydrophobicContact CG2-CG 4.4Å; I46-L96 HydrophobicContact CG1-CB 4.49Å; I46-L96 HydrophobicContact CG1-CD1 4.35Å
47K95.3Very high94.2Very high92 Ų9264.4 Ų64.440%0.435%0.346SS..Hα-helixtrans-63.2-37.4178.3-175.2179-178.4178.80112.5H43 Q45 G51 S52 V55H43-K47 WeakPolarHBondContact O-CB 3.35Å; H43-K47 PolarHBondContact O-N 2.83Å; Q45-K47 VanDerWaalsContact C-N 3.29Å; Q45-K47 PolarHBondContact O-N 3.26Å; K47-G51 WeakPolarHBondContact O-CA 3.49Å; K47-G51 PolarHBondContact O-N 2.98Å; K47-S52 WeakPolarHBondContact CE-OG 3.33Å; K47-V55 HydrophobicContact CB-CG2 4.11Å
48K96.1Very high94.2Very high189 Ų18962.8 Ų62.882%0.82233%0.331SS*.Hα-helixtrans-66.8-40175.9-176.9-177.3176.6-174.50112E44 Q45 I46E44-K48 VanDerWaalsContact O-CB 3.3Å; E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.1Å; Q45-K48 WeakPolarHBondContact O-CB 3.4Å; Q45-K48 PolarHBondContact O-N 2.91Å; I46-K48 VanDerWaalsContact C-N 3.31Å; I46-K48 PolarHBondContact O-N 2.79Å
49E95Very high94.2Very high114 Ų11460.7 Ų60.753%0.53332%0.322SS..Hα-helixtrans-80.9-44.9-176.3-171.8170.3137.900113.1Q45 I46 L96Q45-E49 PolarHBondContact O-N 2.94Å; I46-E49 PolarHBondContact O-N 3.06Å; E49-L96 HydrophobicContact CB-CD1 4.04Å; E49-L96 WeakPolarHBondContact OE2-CD1 3.02Å; E49-L96 WeakPolarHBondContact OE2-CG 3.46Å
50Y93.6Very high93.9Very high68 Ų6865 Ų6527%0.26735%0.35SS..Hα-helixtrans-104-10.3-172.2-59.1-79.5000114I46 V54 L91 S94 L96I46-Y50 HydrophobicContact CG2-CD2 3.81Å; I46-Y50 WeakPolarHBondContact O-CD2 3.45Å; I46-Y50 PolarHBondContact O-N 3.21Å; Y50-V54 VanDerWaalsContact O-CG2 3.31Å; Y50-V54 WeakPolarHBondContact O-CG2 3.39Å; Y50-L91 HydrophobicContact CD1-CD2 4.04Å; Y50-L91 HydrophobicContact CD2-CD2 3.49Å; Y50-L91 VanDerWaalsContact CD2-CD2 3.49Å; Y50-L91 HydrophobicContact CE1-CD2 4.49Å; Y50-L91 HydrophobicContact CE2-CD2 4.03Å; Y50-L91 HydrophobicContact CG-CD2 3.52Å; Y50-S94 VanDerWaalsContact OH-CB 3.3Å; Y50-S94 WeakPolarHBondContact OH-CB 3.3Å; Y50-L96 HydrophobicContact CE2-CD1 4.35Å
51G92.1Very high93.6Very high31 Ų3171.2 Ų71.232%0.3238%0.376SS..  trans83.8154.717900000114.6K47 N53 V54K47-G51 WeakPolarHBondContact O-CA 3.49Å; K47-G51 PolarHBondContact O-N 2.98Å; G51-N53 PolarHBondContact O-N 2.82Å; G51-N53 VanDerWaalsContact O-N 3.12Å; G51-V54 PolarHBondContact O-N 3.29Å; G51-V54 VanDerWaalsContact O-N 3.17Å
52S90.1Very high93.1Very high77 Ų7774.4 Ų74.454%0.53838%0.383SS..THydrogen-bonded Turntrans-61.2-24.2-171.9-51.90000115.3K47 V54K47-S52 WeakPolarHBondContact CE-OG 3.33Å; S52-V54 VanDerWaalsContact C-N 3.31Å
53N87.5Confident92.2Very high169 Ų16982 Ų8290%0.90442%0.423SS*.THydrogen-bonded Turntrans-79.7-15.7-177.2-64-15.5000112.9G51G51-N53 PolarHBondContact O-N 2.82Å; G51-N53 VanDerWaalsContact O-N 3.12Å
54V87.4Confident91.6Very high44 Ų4489.3 Ų89.327%0.26745%0.454SS..THydrogen-bonded Turntrans-97-31.5-178-178.40000111.1Y50 G51 S52 L91Y50-V54 VanDerWaalsContact O-CG2 3.31Å; Y50-V54 WeakPolarHBondContact O-CG2 3.39Å; G51-V54 PolarHBondContact O-N 3.29Å; G51-V54 VanDerWaalsContact O-N 3.17Å; S52-V54 VanDerWaalsContact C-N 3.31Å; V54-L91 HydrophobicContact CG1-CD1 4.35Å; V54-L91 HydrophobicContact CG1-CD2 4.03Å; V54-L91 HydrophobicContact CG1-CG 4.26Å
55V89.8Confident90.9Very high18 Ų1890.8 Ų90.811%0.10947%0.471CS..SBendtrans-80.5130.8-171.8-171.10000111.2H43 I46 K47 Y81H43-V55 VanDerWaalsContact CE1-CG1 3.44Å; H43-V55 WeakPolarHBondContact CE1-CG1 2.98Å; H43-V55 VanDerWaalsContact ND1-CG1 3.32Å; H43-V55 WeakPolarHBondContact ND1-CG1 3.33Å; I46-V55 HydrophobicContact CB-CG2 4.46Å; I46-V55 HydrophobicContact CG2-CG1 4.21Å; I46-V55 HydrophobicContact CG2-CG2 3.65Å; K47-V55 HydrophobicContact CB-CG2 4.11Å; V55-Y81 HydrophobicContact CG1-CE2 4.25Å
56P92.8Very high90.6Very high27 Ų2787.5 Ų87.518%0.17546%0.456CS..PPolyproline II helixtrans-57.5155.1173.9-24.133.7000112.7F58 Y81 A84 V85P56-F58 PolarHBondContact O-N 2.73Å; P56-Y81 HydrophobicContact CB-CD2 4.04Å; P56-Y81 HydrophobicContact CB-CE2 4.28Å; P56-A84 HydrophobicContact CB-CB 3.74Å; P56-A84 HydrophobicContact CG-CB 3.63Å; P56-V85 HydrophobicContact CG-CG2 4.02Å
57T92.8Very high90.4Very high136 Ų13690.9 Ų90.983%0.83448%0.477SS*.PPolyproline II helixtrans-57.4127.8176.2-55.80000111
58F96.3Very high90.2Very high23 Ų2392 Ų9210%0.10149%0.494CS..PPolyproline II helixtrans-103.5139.7177.7-167.5-95000111.2Y36 L39 L40 H43 P56 L78 Y81Y36-F58 HydrophobicContact CD2-CE1 4.36Å; Y36-F58 HydrophobicContact CD2-CZ 4.45Å; Y36-F58 HydrophobicContact CE2-CD1 4.48Å; Y36-F58 AromaticContact CE2-CE1 3.53Å; Y36-F58 HydrophobicContact CE2-CE1 3.53Å; Y36-F58 HydrophobicContact CE2-CZ 4.04Å; Y36-F58 AromaticContact CZ-CE1 3.65Å; L39-F58 HydrophobicContact CB-CE2 4.07Å; L39-F58 HydrophobicContact CB-CZ 3.98Å; L40-F58 VanDerWaalsContact CA-CZ 3.48Å; L40-F58 HydrophobicContact CB-CE1 3.73Å; L40-F58 HydrophobicContact CB-CZ 3.91Å; L40-F58 HydrophobicContact CD1-CD1 3.67Å; L40-F58 HydrophobicContact CD1-CE1 3.5Å; L40-F58 HydrophobicContact CD1-CZ 4.36Å; L40-F58 HydrophobicContact CG-CE1 4.21Å; H43-F58 HydrophobicContact CB-CB 4.44Å; H43-F58 HydrophobicContact CB-CD2 3.62Å; H43-F58 HydrophobicContact CB-CE2 3.95Å; H43-F58 HydrophobicContact CB-CG 3.93Å; H43-F58 AromaticContact CD2-CG 3.95Å; H43-F58 AromaticContact CG-CD2 3.77Å; H43-F58 AromaticContact CG-CG 3.66Å; H43-F58 AromaticContact ND1-CG 3.97Å; P56-F58 PolarHBondContact O-N 2.73Å; F58-L78 HydrophobicContact CE2-CD2 3.79Å; F58-L78 HydrophobicContact CZ-CD2 3.7Å; F58-Y81 HydrophobicContact CB-CD2 4.35Å; F58-Y81 HydrophobicContact CB-CE2 4.31Å; F58-Y81 AromaticContact CD2-CD1 3.82Å; F58-Y81 HydrophobicContact CD2-CD1 3.82Å; F58-Y81 AromaticContact CD2-CD2 3.78Å; F58-Y81 HydrophobicContact CD2-CD2 3.78Å; F58-Y81 AromaticContact CD2-CE1 3.75Å; F58-Y81 HydrophobicContact CD2-CE1 3.75Å; F58-Y81 AromaticContact CD2-CE2 3.72Å; F58-Y81 HydrophobicContact CD2-CE2 3.72Å; F58-Y81 AromaticContact CD2-CG 3.83Å; F58-Y81 HydrophobicContact CD2-CG 3.83Å; F58-Y81 AromaticContact CD2-CZ 3.7Å; F58-Y81 AromaticContact CE2-CD1 3.93Å; F58-Y81 HydrophobicContact CE2-CD1 3.93Å; F58-Y81 AromaticContact CE2-CE1 3.87Å; F58-Y81 HydrophobicContact CE2-CE1 3.87Å; F58-Y81 HydrophobicContact CE2-CG 4.34Å
59P94.5Very high90Very high6 Ų686.6 Ų86.64%0.03948%0.484CS..PPolyproline II helixtrans-60.913017919.4-29.5000111.8Y36 Q77 L78Y36-P59 HydrophobicContact CE2-CG 4.21Å; Y36-P59 WeakPolarHBondContact CE2-O 3.42Å; Y36-P59 PolarHBondContact OH-O 3.45Å; P59-Q77 HydrophobicContact CB-CB 3.86Å; P59-Q77 HydrophobicContact CG-CB 4.08Å; P59-L78 HydrophobicContact CG-CD2 3.39Å; P59-L78 HydrophobicContact CG-CG 3.79Å
60P91.6Very high90Very high91 Ų9183.7 Ų83.759%0.59147%0.471SS*.PPolyproline II helixtrans-70.8154.5-173.628.3-35.1000113Y36 R74Y36-P60 VanDerWaalsContact OH-C 3.25Å; P60-R74 PolarHBondContact O-NH2 3.36Å; P60-R74 VanDerWaalsContact O-NH2 3.09Å
61K90.8Very high90Very high146 Ų14681.3 Ų81.364%0.63546%0.464SS*.PPolyproline II helixtrans-62.2141.6168.3-76.2-174.4-171.7175.50109.5Y36 L40Y36-K61 HydrophobicContact CE1-CG 3.8Å; Y36-K61 PolarHBondContact OH-N 3.24Å; Y36-K61 VanDerWaalsContact OH-N 3.14Å; L40-K61 HydrophobicContact CD2-CD 4.2Å; L40-K61 HydrophobicContact CD2-CG 4.32Å
62K87.1Confident90.1Very high91 Ų9183.6 Ų83.640%0.39647%0.466SS..  trans-111.8143.1167.1-71.8-173.2172.4179.70108.1L66 E70K62-L66 HydrophobicContact CB-CD2 3.9Å; K62-L66 HydrophobicContact CD-CD2 3.53Å; K62-L66 HydrophobicContact CG-CD2 4.17Å; K62-E70 IonicContact NZ-OE1 3.42Å; K62-E70 PolarHBondContact NZ-OE1 3.45Å
63I78.5Confident90.3Very high164 Ų16484.4 Ų84.484%0.84146%0.461SS*.SBendtrans-81-23.2-173.4-55172.6000111.1
64F82.9Confident90.7Very high176 Ų17677.5 Ų77.577%0.77242%0.422SS*.SBendtrans-105.3160.9179.2-58.2-71.2000112.1L66F64-L66 PolarHBondContact O-N 3.3Å
65T83.9Confident91.1Very high139 Ų13976.6 Ų76.685%0.85341%0.414SS*.PPolyproline II helixtrans-54.8131.8170.2-49.70000109.9
66L88.8Confident91.3Very high36 Ų3680.3 Ų80.319%0.18843%0.43CS..PPolyproline II helixtrans-71.1137.9179.9-63.3-171.4000111.5K62 F64 E70 V71K62-L66 HydrophobicContact CB-CD2 3.9Å; K62-L66 HydrophobicContact CD-CD2 3.53Å; K62-L66 HydrophobicContact CG-CD2 4.17Å; F64-L66 PolarHBondContact O-N 3.3Å; L66-E70 HydrophobicContact CB-CB 4.13Å; L66-E70 HydrophobicContact CD2-CB 4Å; L66-E70 HydrophobicContact CG-CB 4.46Å; L66-V71 HydrophobicContact CB-CG2 3.66Å; L66-V71 HydrophobicContact CD1-CG2 3.89Å; L66-V71 HydrophobicContact CG-CG2 4.45Å
67T91.3Very high91.5Very high71 Ų7182.7 Ų82.744%0.43644%0.439SS..PPolyproline II helixtrans-68.4159.5161.262.90000110.6A69 E70 V71T67-A69 VanDerWaalsContact C-N 3.25Å; T67-A69 PolarHBondContact O-N 2.82Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.41Å; T67-E70 PolarHBondContact N-OE2 3.32Å; T67-E70 PolarHBondContact O-N 3.29Å; T67-E70 WeakPolarHBondContact OG1-CG 3.43Å; T67-E70 PolarHBondContact OG1-N 3.25Å; T67-E70 PolarHBondContact OG1-OE2 2.93Å; T67-V71 PolarHBondContact O-N 3.27Å
68P91.1Very high91.7Very high116 Ų11676.2 Ų76.275%0.75340%0.399SS*.Hα-helixtrans-54.5-39.1177.1-28.135.9000113.8E70 V71 E72P68-E70 VanDerWaalsContact C-N 3.34Å; P68-E70 PolarHBondContact O-N 3.42Å; P68-V71 WeakPolarHBondContact O-CB 3.28Å; P68-V71 PolarHBondContact O-N 3.46Å; P68-E72 PolarHBondContact O-N 2.93Å
69A92.8Very high91.6Very high75 Ų7577.1 Ų77.162%0.6240%0.404SS*.Hα-helixtrans-64.7-37176.500000112.5T67 E72 Q73T67-A69 VanDerWaalsContact C-N 3.25Å; T67-A69 PolarHBondContact O-N 2.82Å; A69-E72 PolarHBondContact O-N 2.96Å; A69-Q73 WeakPolarHBondContact O-CB 3.2Å; A69-Q73 PolarHBondContact O-N 2.86Å
70E93.8Very high91.6Very high53 Ų5381.7 Ų81.725%0.24842%0.423CS..Hα-helixtrans-75.1-28176.4-65.8170.5119.300112.8K62 L66 T67 P68 R74K62-E70 IonicContact NZ-OE1 3.42Å; K62-E70 PolarHBondContact NZ-OE1 3.45Å; L66-E70 HydrophobicContact CB-CB 4.13Å; L66-E70 HydrophobicContact CD2-CB 4Å; L66-E70 HydrophobicContact CG-CB 4.46Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.41Å; T67-E70 PolarHBondContact N-OE2 3.32Å; T67-E70 PolarHBondContact O-N 3.29Å; T67-E70 WeakPolarHBondContact OG1-CG 3.43Å; T67-E70 PolarHBondContact OG1-N 3.25Å; T67-E70 PolarHBondContact OG1-OE2 2.93Å; P68-E70 VanDerWaalsContact C-N 3.34Å; P68-E70 PolarHBondContact O-N 3.42Å; E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.3Å; E70-R74 PolarHBondContact O-N 3.16Å
71V93.6Very high91.8Very high19 Ų1977.5 Ų77.512%0.11540%0.395CS..Hα-helixtrans-63.5-46.6170172.30000109.9T8 V20 L66 T67 P68 R74 R75T8-V71 HydrophobicContact CG2-CG1 4.11Å; V20-V71 HydrophobicContact CG1-CG1 3.9Å; V20-V71 HydrophobicContact CG2-CG2 4.36Å; L66-V71 HydrophobicContact CB-CG2 3.66Å; L66-V71 HydrophobicContact CD1-CG2 3.89Å; L66-V71 HydrophobicContact CG-CG2 4.45Å; T67-V71 PolarHBondContact O-N 3.27Å; P68-V71 WeakPolarHBondContact O-CB 3.28Å; P68-V71 PolarHBondContact O-N 3.46Å; V71-R74 PolarHBondContact O-N 3.34Å; V71-R75 PolarHBondContact O-N 3.46Å
72E94.3Very high92Very high78 Ų7870.6 Ų70.636%0.36437%0.365SS..Hα-helixtrans-65-45.8179.2-174.256.1-158.200111.9P68 A69 R74 R75 E76P68-E72 PolarHBondContact O-N 2.93Å; A69-E72 PolarHBondContact O-N 2.96Å; E72-R74 VanDerWaalsContact C-N 3.26Å; E72-R74 PolarHBondContact O-N 3.03Å; E72-R75 VanDerWaalsContact CD-NE 3.26Å; E72-R75 VanDerWaalsContact O-CB 3.29Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.12Å; E72-R75 IonicContact OE1-CZ 3.57Å; E72-R75 IonicContact OE1-NE 2.59Å; E72-R75 PolarHBondContact OE1-NE 2.84Å; E72-R75 IonicContact OE1-NH2 2.75Å; E72-R75 PolarHBondContact OE1-NH2 3.15Å; E72-R75 WeakPolarHBondContact OE2-CD 3.43Å; E72-R75 IonicContact OE2-NE 3.94Å; E72-R75 PolarHBondContact OE2-NE 3.05Å; E72-R75 VanDerWaalsContact OE2-NE 3.11Å; E72-E76 PolarHBondContact O-N 3.43Å
73Q94.8Very high92.3Very high94 Ų9467.2 Ų67.244%0.43935%0.351SS..Hα-helixtrans-57.1-41.8173.6-173.6-175.825.900111.8A69 Q77A69-Q73 WeakPolarHBondContact O-CB 3.2Å; A69-Q73 PolarHBondContact O-N 2.86Å; Q73-Q77 VanDerWaalsContact O-CG 3.28Å; Q73-Q77 WeakPolarHBondContact O-CG 3.37Å; Q73-Q77 PolarHBondContact O-N 2.75Å; Q73-Q77 VanDerWaalsContact O-N 3.1Å
74R95.4Very high92.9Very high25 Ų2561 Ų619%0.09433%0.325CS..Hα-helixtrans-68.1-37177.2179.5173.5-76.6166.42.8111.7Y22 Y36 P60 E70 V71 E72 Q77 L78Y22-R74 HydrophobicContact CE1-CG 4.45Å; Y22-R74 WeakPolarHBondContact OH-CD 3.28Å; Y22-R74 WeakPolarHBondContact OH-CG 3.33Å; Y36-R74 HydrophobicContact CD2-CG 4.23Å; P60-R74 PolarHBondContact O-NH2 3.36Å; P60-R74 VanDerWaalsContact O-NH2 3.09Å; E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.3Å; E70-R74 PolarHBondContact O-N 3.16Å; V71-R74 PolarHBondContact O-N 3.34Å; E72-R74 VanDerWaalsContact C-N 3.26Å; E72-R74 PolarHBondContact O-N 3.03Å; R74-Q77 PolarHBondContact O-N 2.9Å; R74-L78 HydrophobicContact CG-CD1 3.94Å; R74-L78 HydrophobicContact CG-CG 4.2Å; R74-L78 WeakPolarHBondContact O-CB 3.25Å; R74-L78 VanDerWaalsContact O-CG 3.25Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 2.8Å
75R95.9Very high93.5Very high25 Ų2552.7 Ų52.79%0.09429%0.288CS..Hα-helixtrans-57.6-50.4175.4-174-15866.8622.3110.4I5 T8 Y22 V71 E72 Q77 L78 E79I5-R75 HydrophobicContact CB-CG 4.05Å; I5-R75 HydrophobicContact CG2-CG 3.59Å; I5-R75 WeakPolarHBondContact O-CD 3.32Å; I5-R75 WeakPolarHBondContact O-CG 3.5Å; I5-R75 PolarHBondContact O-NH1 3.46Å; T8-R75 HydrophobicContact CG2-CB 4.08Å; T8-R75 HydrophobicContact CG2-CG 3.86Å; Y22-R75 HydrophobicContact CD1-CB 4.18Å; Y22-R75 HydrophobicContact CD1-CG 4.22Å; Y22-R75 HydrophobicContact CE1-CB 4.03Å; V71-R75 PolarHBondContact O-N 3.46Å; E72-R75 VanDerWaalsContact CD-NE 3.26Å; E72-R75 VanDerWaalsContact O-CB 3.29Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.12Å; E72-R75 IonicContact OE1-CZ 3.57Å; E72-R75 IonicContact OE1-NE 2.59Å; E72-R75 PolarHBondContact OE1-NE 2.84Å; E72-R75 IonicContact OE1-NH2 2.75Å; E72-R75 PolarHBondContact OE1-NH2 3.15Å; E72-R75 WeakPolarHBondContact OE2-CD 3.43Å; E72-R75 IonicContact OE2-NE 3.94Å; E72-R75 PolarHBondContact OE2-NE 3.05Å; E72-R75 VanDerWaalsContact OE2-NE 3.11Å; R75-Q77 PolarHBondContact O-N 3.39Å; R75-L78 PolarHBondContact O-N 3Å; R75-E79 IonicContact NH1-OE2 3.55Å; R75-E79 PolarHBondContact NH1-OE2 3.01Å; R75-E79 WeakPolarHBondContact O-CB 3.37Å; R75-E79 PolarHBondContact O-N 3.42Å
76E94.6Very high93.7Very high96 Ų9648.9 Ų48.945%0.44926%0.258SS..Hα-helixtrans-59.6-44.2176.6-68.3179.216900112.3E72 E79 K80E72-E76 PolarHBondContact O-N 3.43Å; E76-E79 PolarHBondContact O-N 3.26Å; E76-K80 WeakPolarHBondContact O-CG 3.24Å; E76-K80 PolarHBondContact O-N 3.44Å
77Q96.8Very high93.7Very high76 Ų7652.9 Ų52.936%0.35528%0.276SS..Hα-helixtrans-65.3-39.5178.5-71.9172.9-23.900112.6P59 Q73 R74 R75 Y81P59-Q77 HydrophobicContact CB-CB 3.86Å; P59-Q77 HydrophobicContact CG-CB 4.08Å; Q73-Q77 VanDerWaalsContact O-CG 3.28Å; Q73-Q77 WeakPolarHBondContact O-CG 3.37Å; Q73-Q77 PolarHBondContact O-N 2.75Å; Q73-Q77 VanDerWaalsContact O-N 3.1Å; R74-Q77 PolarHBondContact O-N 2.9Å; R75-Q77 PolarHBondContact O-N 3.39Å; Q77-Y81 WeakPolarHBondContact O-CB 3.46Å; Q77-Y81 PolarHBondContact O-N 3.37Å
78L97.2Very high93.6Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-68-37.8175.5-71.7171.7000111.5I5 Y22 Y36 L39 F58 P59 R74 R75 Y81 M82I5-L78 HydrophobicContact CD1-CB 3.79Å; Y22-L78 HydrophobicContact CD1-CD1 3.74Å; Y22-L78 HydrophobicContact CD2-CD1 3.87Å; Y22-L78 HydrophobicContact CE1-CD1 3.67Å; Y22-L78 HydrophobicContact CE2-CD1 3.8Å; Y22-L78 HydrophobicContact CG-CD1 3.85Å; Y36-L78 HydrophobicContact CD2-CD1 4.32Å; Y36-L78 HydrophobicContact CD2-CD2 4.29Å; L39-L78 HydrophobicContact CB-CD2 4.3Å; L39-L78 HydrophobicContact CD1-CB 4.37Å; L39-L78 HydrophobicContact CD1-CD1 3.98Å; L39-L78 HydrophobicContact CD1-CD2 3.85Å; L39-L78 HydrophobicContact CD1-CG 4.29Å; F58-L78 HydrophobicContact CE2-CD2 3.79Å; F58-L78 HydrophobicContact CZ-CD2 3.7Å; P59-L78 HydrophobicContact CG-CD2 3.39Å; P59-L78 HydrophobicContact CG-CG 3.79Å; R74-L78 HydrophobicContact CG-CD1 3.94Å; R74-L78 HydrophobicContact CG-CG 4.2Å; R74-L78 WeakPolarHBondContact O-CB 3.25Å; R74-L78 VanDerWaalsContact O-CG 3.25Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 2.8Å; R75-L78 PolarHBondContact O-N 3Å; L78-Y81 WeakPolarHBondContact O-CB 3.34Å; L78-Y81 PolarHBondContact O-N 2.92Å; L78-M82 WeakPolarHBondContact O-CG 3.26Å; L78-M82 PolarHBondContact O-N 3.11Å
79E94.8Very high93.3Very high42 Ų4252 Ų5220%0.19627%0.266CS..Hα-helixtrans-61.2-51174.4-177.2177109.100110.9S4 I5 R75 E76 Y81 M82 Q83S4-E79 WeakPolarHBondContact CA-OE2 3.11Å; I5-E79 HydrophobicContact CB-CB 4.25Å; I5-E79 HydrophobicContact CD1-CB 4.14Å; I5-E79 HydrophobicContact CG1-CB 3.98Å; I5-E79 HydrophobicContact CG1-CG 4.41Å; I5-E79 PolarHBondContact N-OE2 3.47Å; R75-E79 IonicContact NH1-OE2 3.55Å; R75-E79 PolarHBondContact NH1-OE2 3.01Å; R75-E79 WeakPolarHBondContact O-CB 3.37Å; R75-E79 PolarHBondContact O-N 3.42Å; E76-E79 PolarHBondContact O-N 3.26Å; E79-Y81 VanDerWaalsContact C-N 3.28Å; E79-Y81 PolarHBondContact O-N 2.89Å; E79-M82 PolarHBondContact O-N 3.06Å; E79-Q83 WeakPolarHBondContact O-CG 3.26Å; E79-Q83 PolarHBondContact O-N 2.98Å
80K93.4Very high93.1Very high102 Ų10253.6 Ų53.644%0.44326%0.264SS..Hα-helixtrans-56.7-42.2175-73-174.9176.9-165.40111.6E76 Q83 A84 D457E76-K80 WeakPolarHBondContact O-CG 3.24Å; E76-K80 PolarHBondContact O-N 3.44Å; K80-Q83 PolarHBondContact O-N 3.06Å; K80-A84 WeakPolarHBondContact O-CB 3.3Å; K80-A84 PolarHBondContact O-N 3.46Å; K80-D457 IonicContact NZ-OD1 3.64Å
81Y96.2Very high93Very high3 Ų351 Ų511%0.01225%0.252CS..Hα-helixtrans-60.4-49.6175.8173.2-98.1000112.3H43 V55 P56 F58 Q77 L78 E79 Q83 A84 V85H43-Y81 WeakPolarHBondContact CA-OH 3.38Å; H43-Y81 WeakPolarHBondContact CB-OH 3.45Å; H43-Y81 AromaticContact ND1-CE2 3.63Å; H43-Y81 AromaticContact ND1-CZ 3.82Å; H43-Y81 PolarHBondContact ND1-OH 3.07Å; V55-Y81 HydrophobicContact CG1-CE2 4.25Å; P56-Y81 HydrophobicContact CB-CD2 4.04Å; P56-Y81 HydrophobicContact CB-CE2 4.28Å; F58-Y81 HydrophobicContact CB-CD2 4.35Å; F58-Y81 HydrophobicContact CB-CE2 4.31Å; F58-Y81 AromaticContact CD2-CD1 3.82Å; F58-Y81 HydrophobicContact CD2-CD1 3.82Å; F58-Y81 AromaticContact CD2-CD2 3.78Å; F58-Y81 HydrophobicContact CD2-CD2 3.78Å; F58-Y81 AromaticContact CD2-CE1 3.75Å; F58-Y81 HydrophobicContact CD2-CE1 3.75Å; F58-Y81 AromaticContact CD2-CE2 3.72Å; F58-Y81 HydrophobicContact CD2-CE2 3.72Å; F58-Y81 AromaticContact CD2-CG 3.83Å; F58-Y81 HydrophobicContact CD2-CG 3.83Å; F58-Y81 AromaticContact CD2-CZ 3.7Å; F58-Y81 AromaticContact CE2-CD1 3.93Å; F58-Y81 HydrophobicContact CE2-CD1 3.93Å; F58-Y81 AromaticContact CE2-CE1 3.87Å; F58-Y81 HydrophobicContact CE2-CE1 3.87Å; F58-Y81 HydrophobicContact CE2-CG 4.34Å; Q77-Y81 WeakPolarHBondContact O-CB 3.46Å; Q77-Y81 PolarHBondContact O-N 3.37Å; L78-Y81 WeakPolarHBondContact O-CB 3.34Å; L78-Y81 PolarHBondContact O-N 2.92Å; E79-Y81 VanDerWaalsContact C-N 3.28Å; E79-Y81 PolarHBondContact O-N 2.89Å; Y81-Q83 VanDerWaalsContact C-N 3.34Å; Y81-Q83 PolarHBondContact O-N 3.49Å; Y81-A84 PolarHBondContact O-N 2.91Å; Y81-V85 HydrophobicContact CD1-CG2 4.31Å; Y81-V85 HydrophobicContact CD2-CG2 4.24Å; Y81-V85 HydrophobicContact CE1-CG2 3.83Å; Y81-V85 HydrophobicContact CE2-CG2 3.73Å; Y81-V85 HydrophobicContact CG-CG2 4.5Å; Y81-V85 WeakPolarHBondContact O-CG2 2.93Å; Y81-V85 PolarHBondContact O-N 3.46Å
82M95Very high92.7Very high1 Ų150.3 Ų50.31%0.00525%0.248CC..Hα-helixtrans-61.9-41.6-179.9-72.5-63.5-65.200112F3 I24 L39 L78 E79 R86 F97 L101F3-M82 HydrophobicContact CB-CB 4.28Å; F3-M82 HydrophobicContact CD1-CE 3.87Å; F3-M82 HydrophobicContact CE1-CE 3.89Å; I24-M82 HydrophobicContact CD1-CE 4.18Å; L39-M82 HydrophobicContact CD2-SD 3.66Å; L78-M82 WeakPolarHBondContact O-CG 3.26Å; L78-M82 PolarHBondContact O-N 3.11Å; E79-M82 PolarHBondContact O-N 3.06Å; M82-R86 WeakPolarHBondContact O-CB 3.44Å; M82-R86 PolarHBondContact O-N 3.14Å; M82-F97 HydrophobicContact CE-CE2 3.51Å; M82-F97 HydrophobicContact CE-CZ 3.62Å; M82-F97 HydrophobicContact SD-CE2 4.01Å; M82-L101 HydrophobicContact CE-CD2 4.1Å
83Q92.3Very high92.3Very high20 Ų2050.3 Ų50.39%0.09326%0.261CS..Hα-helixtrans-62.1-46.2174.9-70.3174.71.200111.3F3 E79 K80 Y81 R86 Q87F3-Q83 HydrophobicContact CB-CG 4.26Å; F3-Q83 WeakPolarHBondContact O-CG 3.39Å; F3-Q83 PolarHBondContact O-NE2 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.26Å; E79-Q83 PolarHBondContact O-N 2.98Å; K80-Q83 PolarHBondContact O-N 3.06Å; Y81-Q83 VanDerWaalsContact C-N 3.34Å; Y81-Q83 PolarHBondContact O-N 3.49Å; Q83-R86 PolarHBondContact O-N 3.45Å; Q83-Q87 WeakPolarHBondContact O-CB 3.44Å; Q83-Q87 VanDerWaalsContact O-CG 3.26Å; Q83-Q87 WeakPolarHBondContact O-CG 3.47Å; Q83-Q87 PolarHBondContact O-N 3.06Å
84A92.8Very high92.1Very high35 Ų3546 Ų4629%0.28924%0.242SC..Hα-helixtrans-63.7-43.1179.100000112.6P56 K80 Y81 R86 Q87 H88P56-A84 HydrophobicContact CB-CB 3.74Å; P56-A84 HydrophobicContact CG-CB 3.63Å; K80-A84 WeakPolarHBondContact O-CB 3.3Å; K80-A84 PolarHBondContact O-N 3.46Å; Y81-A84 PolarHBondContact O-N 2.91Å; A84-R86 VanDerWaalsContact C-N 3.35Å; A84-R86 PolarHBondContact O-N 2.88Å; A84-Q87 PolarHBondContact O-N 2.94Å; A84-H88 WeakPolarHBondContact O-CB 3.25Å; A84-H88 PolarHBondContact O-N 2.85Å; A84-H88 VanDerWaalsContact O-N 3.08Å
85V94.1Very high91.9Very high0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-60.8-45.5175.3171.80000110.5I46 P56 Y81 Q87 H88 L91 G92 F97I46-V85 HydrophobicContact CD1-CG1 4.12Å; P56-V85 HydrophobicContact CG-CG2 4.02Å; Y81-V85 HydrophobicContact CD1-CG2 4.31Å; Y81-V85 HydrophobicContact CD2-CG2 4.24Å; Y81-V85 HydrophobicContact CE1-CG2 3.83Å; Y81-V85 HydrophobicContact CE2-CG2 3.73Å; Y81-V85 HydrophobicContact CG-CG2 4.5Å; Y81-V85 WeakPolarHBondContact O-CG2 2.93Å; Y81-V85 PolarHBondContact O-N 3.46Å; V85-Q87 PolarHBondContact O-N 3.22Å; V85-H88 PolarHBondContact O-N 3.41Å; V85-L91 HydrophobicContact CG1-CB 4.01Å; V85-G92 WeakPolarHBondContact O-CA 3.2Å; V85-G92 PolarHBondContact O-N 2.98Å; V85-G92 VanDerWaalsContact O-N 3.11Å; V85-F97 HydrophobicContact CB-CE2 4.34Å; V85-F97 HydrophobicContact CG1-CD1 4.38Å; V85-F97 HydrophobicContact CG1-CD2 3.55Å; V85-F97 HydrophobicContact CG1-CE1 4.48Å; V85-F97 HydrophobicContact CG1-CE2 3.68Å; V85-F97 HydrophobicContact CG1-CG 3.92Å; V85-F97 HydrophobicContact CG1-CZ 4.16Å
86R89.4Confident91.8Very high59 Ų5950.8 Ų50.822%0.22327%0.267CS..Hα-helixtrans-66.4-38.3-179.6-179.961.5-172.5-175.7-2.4112.9F3 M82 Q83 A84 H88 G92 F97F3-R86 HydrophobicContact CD2-CB 3.93Å; F3-R86 HydrophobicContact CD2-CG 3.92Å; F3-R86 HydrophobicContact CE2-CB 3.9Å; F3-R86 HydrophobicContact CE2-CG 3.62Å; M82-R86 WeakPolarHBondContact O-CB 3.44Å; M82-R86 PolarHBondContact O-N 3.14Å; Q83-R86 PolarHBondContact O-N 3.45Å; A84-R86 VanDerWaalsContact C-N 3.35Å; A84-R86 PolarHBondContact O-N 2.88Å; R86-H88 VanDerWaalsContact C-N 3.3Å; R86-G92 PolarHBondContact NH1-O 2.9Å; R86-F97 HydrophobicContact CB-CE1 4.24Å; R86-F97 HydrophobicContact CB-CZ 4.47Å
87Q87.6Confident91.8Very high120 Ų12046.2 Ų46.256%0.56125%0.246SC*.Hα-helixtrans-74.4-21.8-179.3-721724.600112.7Q83 A84 V85Q83-Q87 WeakPolarHBondContact O-CB 3.44Å; Q83-Q87 VanDerWaalsContact O-CG 3.26Å; Q83-Q87 WeakPolarHBondContact O-CG 3.47Å; Q83-Q87 PolarHBondContact O-N 3.06Å; A84-Q87 PolarHBondContact O-N 2.94Å; V85-Q87 PolarHBondContact O-N 3.22Å
88H89.9Confident91.7Very high56 Ų5643.4 Ų43.426%0.25923%0.234SC..SBendtrans-68.7125179.2-167.8-72.9000111.1A84 V85 R86 L90 L91 G92A84-H88 WeakPolarHBondContact O-CB 3.25Å; A84-H88 PolarHBondContact O-N 2.85Å; A84-H88 VanDerWaalsContact O-N 3.08Å; V85-H88 PolarHBondContact O-N 3.41Å; R86-H88 VanDerWaalsContact C-N 3.3Å; H88-L90 VanDerWaalsContact C-N 3.27Å; H88-L90 PolarHBondContact ND1-N 2.91Å; H88-L90 PolarHBondContact O-N 2.89Å; H88-L90 VanDerWaalsContact O-N 3.12Å; H88-L91 HydrophobicContact CB-CB 4.03Å; H88-L91 HydrophobicContact CB-CD1 4.23Å; H88-L91 HydrophobicContact CB-CG 4.06Å; H88-L91 PolarHBondContact ND1-N 3.37Å; H88-L91 PolarHBondContact O-N 3.21Å; H88-G92 PolarHBondContact O-N 2.8Å
89P85.3Confident91.5Very high113 Ų11344.6 Ų44.673%0.73424%0.242SC*.THydrogen-bonded Turntrans-56-36.4-173.5-2834.5000114.7
90L88.6Confident91.6Very high108 Ų10844 Ų4457%0.56524%0.239SC*.THydrogen-bonded Turntrans-83-41.3178.3-60.2176.7000113.3H88 S94H88-L90 VanDerWaalsContact C-N 3.27Å; H88-L90 PolarHBondContact ND1-N 2.91Å; H88-L90 PolarHBondContact O-N 2.89Å; H88-L90 VanDerWaalsContact O-N 3.12Å; L90-S94 PolarHBondContact O-N 3.1Å
91L92.1Very high91.7Very high0 Ų039.1 Ų39.10%022%0.218CC..THydrogen-bonded Turntrans-83.6-37.3-170.5-51.8-177.2000111.2I46 Y50 V54 V85 H88 A93 S94I46-L91 HydrophobicContact CG2-CD1 4.02Å; I46-L91 HydrophobicContact CG2-CD2 3.74Å; I46-L91 HydrophobicContact CG2-CG 4.4Å; Y50-L91 HydrophobicContact CD1-CD2 4.04Å; Y50-L91 HydrophobicContact CD2-CD2 3.49Å; Y50-L91 VanDerWaalsContact CD2-CD2 3.49Å; Y50-L91 HydrophobicContact CE1-CD2 4.49Å; Y50-L91 HydrophobicContact CE2-CD2 4.03Å; Y50-L91 HydrophobicContact CG-CD2 3.52Å; V54-L91 HydrophobicContact CG1-CD1 4.35Å; V54-L91 HydrophobicContact CG1-CD2 4.03Å; V54-L91 HydrophobicContact CG1-CG 4.26Å; V85-L91 HydrophobicContact CG1-CB 4.01Å; H88-L91 HydrophobicContact CB-CB 4.03Å; H88-L91 HydrophobicContact CB-CD1 4.23Å; H88-L91 HydrophobicContact CB-CG 4.06Å; H88-L91 PolarHBondContact ND1-N 3.37Å; H88-L91 PolarHBondContact O-N 3.21Å; L91-A93 PolarHBondContact O-N 3.43Å; L91-S94 VanDerWaalsContact O-CB 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.48Å; L91-S94 PolarHBondContact O-N 3.17Å; L91-S94 PolarHBondContact O-OG 2.87Å
92G87.1Confident91.6Very high4 Ų440.4 Ų40.44%0.04122%0.222CC..THydrogen-bonded Turntrans-64-28-178.200000113.5V85 R86 H88V85-G92 WeakPolarHBondContact O-CA 3.2Å; V85-G92 PolarHBondContact O-N 2.98Å; V85-G92 VanDerWaalsContact O-N 3.11Å; R86-G92 PolarHBondContact NH1-O 2.9Å; H88-G92 PolarHBondContact O-N 2.8Å
93A85.1Confident91.6Very high77 Ų7746.2 Ų46.264%0.63625%0.247SC*.THydrogen-bonded Turntrans-97.11.4174.800000113.4L91L91-A93 PolarHBondContact O-N 3.43Å
94S91.1Very high91.7Very high5 Ų545.3 Ų45.34%0.03524%0.244CC..  trans-68.8142.9-177.469.70000112Y50 L90 L91 L96 F97 N98Y50-S94 VanDerWaalsContact OH-CB 3.3Å; Y50-S94 WeakPolarHBondContact OH-CB 3.3Å; L90-S94 PolarHBondContact O-N 3.1Å; L91-S94 VanDerWaalsContact O-CB 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.48Å; L91-S94 PolarHBondContact O-N 3.17Å; L91-S94 PolarHBondContact O-OG 2.87Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.08Å; S94-F97 PolarHBondContact O-N 3.37Å; S94-F97 VanDerWaalsContact OG-CB 3.32Å; S94-F97 WeakPolarHBondContact OG-CB 3.29Å; S94-F97 PolarHBondContact OG-N 2.99Å; S94-N98 PolarHBondContact O-N 3.44Å; S94-N98 VanDerWaalsContact O-N 3.11Å; S94-N98 PolarHBondContact O-ND2 2.86Å; S94-N98 VanDerWaalsContact O-ND2 3.13Å
95E91.6Very high91.9Very high110 Ų11044 Ų4451%0.51423%0.232SC..Hα-helixtrans-65.7-32.6176.2175.351.6-159.800111.6F97 N98 S99 R102E95-F97 VanDerWaalsContact C-N 3.35Å; E95-F97 PolarHBondContact O-N 2.66Å; E95-N98 PolarHBondContact O-N 2.75Å; E95-S99 WeakPolarHBondContact O-CA 3.3Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 2.99Å; E95-S99 WeakPolarHBondContact OE1-CB 3.47Å; E95-R102 IonicContact OE1-CZ 2.66Å; E95-R102 IonicContact OE1-NH2 3.79Å; E95-R102 PolarHBondContact OE1-NH2 3.13Å; E95-R102 IonicContact OE2-CZ 3.11Å; E95-R102 IonicContact OE2-NH1 3.68Å; E95-R102 IonicContact OE2-NH2 2.8Å; E95-R102 PolarHBondContact OE2-NH2 3.22Å
96L93.4Very high91.8Very high39 Ų3945.4 Ų45.420%0.20424%0.238CC..Hα-helixtrans-56.1-48.5173.5-73.9-175.7000112.2Q45 I46 E49 Y50 S94 F100Q45-L96 HydrophobicContact CB-CD1 4.11Å; I46-L96 HydrophobicContact CG1-CB 4.49Å; I46-L96 HydrophobicContact CG1-CD1 4.35Å; E49-L96 HydrophobicContact CB-CD1 4.04Å; E49-L96 WeakPolarHBondContact OE2-CD1 3.02Å; E49-L96 WeakPolarHBondContact OE2-CG 3.46Å; Y50-L96 HydrophobicContact CE2-CD1 4.35Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.08Å; L96-F100 WeakPolarHBondContact O-CB 3.27Å; L96-F100 PolarHBondContact O-N 3.17Å; L96-F100 VanDerWaalsContact O-N 3.11Å
97F94.6Very high91.9Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-69.2-47.2-178.3-174.8-114.9000111.8F3 L42 M82 V85 R86 S94 E95 F100 L101F3-F97 HydrophobicContact CE1-CZ 4.32Å; F3-F97 HydrophobicContact CE2-CE1 4.49Å; F3-F97 HydrophobicContact CZ-CE1 4.16Å; F3-F97 HydrophobicContact CZ-CZ 4.1Å; L42-F97 HydrophobicContact CD2-CD2 3.97Å; L42-F97 HydrophobicContact CD2-CE2 4.27Å; M82-F97 HydrophobicContact CE-CE2 3.51Å; M82-F97 HydrophobicContact CE-CZ 3.62Å; M82-F97 HydrophobicContact SD-CE2 4.01Å; V85-F97 HydrophobicContact CB-CE2 4.34Å; V85-F97 HydrophobicContact CG1-CD1 4.38Å; V85-F97 HydrophobicContact CG1-CD2 3.55Å; V85-F97 HydrophobicContact CG1-CE1 4.48Å; V85-F97 HydrophobicContact CG1-CE2 3.68Å; V85-F97 HydrophobicContact CG1-CG 3.92Å; V85-F97 HydrophobicContact CG1-CZ 4.16Å; R86-F97 HydrophobicContact CB-CE1 4.24Å; R86-F97 HydrophobicContact CB-CZ 4.47Å; S94-F97 PolarHBondContact O-N 3.37Å; S94-F97 VanDerWaalsContact OG-CB 3.32Å; S94-F97 WeakPolarHBondContact OG-CB 3.29Å; S94-F97 PolarHBondContact OG-N 2.99Å; E95-F97 VanDerWaalsContact C-N 3.35Å; E95-F97 PolarHBondContact O-N 2.66Å; F97-F100 WeakPolarHBondContact O-CB 3.45Å; F97-F100 PolarHBondContact O-N 2.8Å; F97-L101 HydrophobicContact CD1-CD1 4.07Å; F97-L101 HydrophobicContact CE1-CD1 3.66Å; F97-L101 HydrophobicContact CZ-CD1 3.94Å; F97-L101 HydrophobicContact CZ-CG 4.47Å; F97-L101 WeakPolarHBondContact O-CG 3.38Å; F97-L101 PolarHBondContact O-N 2.67Å; F97-L101 VanDerWaalsContact O-N 3.11Å
98N93.5Very high92.2Very high18 Ų1843.3 Ų43.310%0.09623%0.232CC..Hα-helixtrans-68.2-39.3-178.7-67.1-42.4000112S94 E95 F100 L101 R102 F181S94-N98 PolarHBondContact O-N 3.44Å; S94-N98 VanDerWaalsContact O-N 3.11Å; S94-N98 PolarHBondContact O-ND2 2.86Å; S94-N98 VanDerWaalsContact O-ND2 3.13Å; E95-N98 PolarHBondContact O-N 2.75Å; N98-F100 PolarHBondContact O-N 3.02Å; N98-L101 PolarHBondContact O-N 2.8Å; N98-R102 PolarHBondContact O-N 2.89Å; N98-F181 HydrophobicContact CB-CB 3.84Å
99S93.9Very high92.2Very high24 Ų2443.3 Ų43.317%0.16823%0.232CC..Hα-helixtrans-62.8-40.9174.5-167.70000112.2E95 L101 R102 K103E95-S99 WeakPolarHBondContact O-CA 3.3Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 2.99Å; E95-S99 WeakPolarHBondContact OE1-CB 3.47Å; S99-L101 PolarHBondContact O-N 3.47Å; S99-R102 PolarHBondContact O-N 2.94Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 2.84Å
100F96.2Very high92.5Very high30 Ų3045.5 Ų45.513%0.13223%0.233CC..Hα-helixtrans-58.8-46.8173.1172.6-90.2000111.6V34 Q38 L39 L42 L96 F97 N98 R102 K103 A104V34-F100 HydrophobicContact CG1-CE1 4.43Å; V34-F100 HydrophobicContact CG1-CZ 3.98Å; Q38-F100 HydrophobicContact CB-CE2 4.15Å; Q38-F100 HydrophobicContact CB-CZ 4.39Å; L39-F100 HydrophobicContact CD2-CE1 3.83Å; L39-F100 HydrophobicContact CD2-CZ 3.75Å; L39-F100 HydrophobicContact CG-CZ 4.41Å; L42-F100 HydrophobicContact CB-CD2 3.98Å; L42-F100 HydrophobicContact CB-CE2 4.14Å; L42-F100 HydrophobicContact CB-CG 4.34Å; L42-F100 HydrophobicContact CD1-CB 3.87Å; L42-F100 HydrophobicContact CD1-CD2 4.41Å; L42-F100 HydrophobicContact CD1-CG 4.09Å; L42-F100 HydrophobicContact CD2-CB 4.37Å; L42-F100 HydrophobicContact CD2-CD1 3.68Å; L42-F100 HydrophobicContact CD2-CD2 4.25Å; L42-F100 HydrophobicContact CD2-CE1 3.96Å; L42-F100 HydrophobicContact CD2-CE2 4.49Å; L42-F100 HydrophobicContact CD2-CG 3.84Å; L42-F100 HydrophobicContact CD2-CZ 4.36Å; L42-F100 HydrophobicContact CG-CD2 4.45Å; L42-F100 HydrophobicContact CG-CG 4.31Å; L96-F100 WeakPolarHBondContact O-CB 3.27Å; L96-F100 PolarHBondContact O-N 3.17Å; L96-F100 VanDerWaalsContact O-N 3.11Å; F97-F100 WeakPolarHBondContact O-CB 3.45Å; F97-F100 PolarHBondContact O-N 2.8Å; N98-F100 PolarHBondContact O-N 3.02Å; F100-R102 PolarHBondContact O-N 2.88Å; F100-K103 PolarHBondContact O-N 3.16Å; F100-A104 HydrophobicContact CE1-CB 4.49Å; F100-A104 VanDerWaalsContact O-CB 3.24Å; F100-A104 WeakPolarHBondContact O-CB 3.18Å; F100-A104 PolarHBondContact O-N 3.04Å
101L95.9Very high92.6Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-63.1-40.5179.8-69.8175.1000112.6F3 H31 M82 F97 N98 S99 Q105 F181F3-L101 HydrophobicContact CE1-CD1 3.97Å; F3-L101 HydrophobicContact CE1-CD2 3.84Å; F3-L101 HydrophobicContact CZ-CD1 3.65Å; F3-L101 HydrophobicContact CZ-CD2 4.39Å; H31-L101 PolarHBondContact NE2-O 3.29Å; M82-L101 HydrophobicContact CE-CD2 4.1Å; F97-L101 HydrophobicContact CD1-CD1 4.07Å; F97-L101 HydrophobicContact CE1-CD1 3.66Å; F97-L101 HydrophobicContact CZ-CD1 3.94Å; F97-L101 HydrophobicContact CZ-CG 4.47Å; F97-L101 WeakPolarHBondContact O-CG 3.38Å; F97-L101 PolarHBondContact O-N 2.67Å; F97-L101 VanDerWaalsContact O-N 3.11Å; N98-L101 PolarHBondContact O-N 2.8Å; S99-L101 PolarHBondContact O-N 3.47Å; L101-Q105 WeakPolarHBondContact O-CB 3.19Å; L101-Q105 PolarHBondContact O-N 2.76Å; L101-F181 HydrophobicContact CB-CB 4.28Å; L101-F181 HydrophobicContact CB-CD2 4.02Å; L101-F181 HydrophobicContact CB-CG 4.33Å; L101-F181 HydrophobicContact CD1-CB 4.32Å; L101-F181 HydrophobicContact CD1-CD1 4.16Å; L101-F181 HydrophobicContact CD1-CD2 3.78Å; L101-F181 HydrophobicContact CD1-CE1 4.45Å; L101-F181 HydrophobicContact CD1-CE2 4.15Å; L101-F181 HydrophobicContact CD1-CG 3.81Å; L101-F181 HydrophobicContact CD1-CZ 4.47Å
102R94.7Very high92.6Very high30 Ų3045.4 Ų45.411%0.11324%0.237CC..Hα-helixtrans-62.2-51.3175.7-74.1-173.5-60.2-95.7-1.7111.6E95 N98 S99 F100 A104 Q105 Q106 F181 L183E95-R102 IonicContact OE1-CZ 2.66Å; E95-R102 IonicContact OE1-NH2 3.79Å; E95-R102 PolarHBondContact OE1-NH2 3.13Å; E95-R102 IonicContact OE2-CZ 3.11Å; E95-R102 IonicContact OE2-NH1 3.68Å; E95-R102 IonicContact OE2-NH2 2.8Å; E95-R102 PolarHBondContact OE2-NH2 3.22Å; N98-R102 PolarHBondContact O-N 2.89Å; S99-R102 PolarHBondContact O-N 2.94Å; F100-R102 PolarHBondContact O-N 2.88Å; R102-A104 PolarHBondContact O-N 2.59Å; R102-Q105 WeakPolarHBondContact O-CB 3.32Å; R102-Q105 PolarHBondContact O-N 2.91Å; R102-Q106 PolarHBondContact O-N 2.79Å; R102-F181 WeakPolarHBondContact CG-O 3.3Å; R102-L183 HydrophobicContact CB-CD2 4.04Å; R102-L183 HydrophobicContact CB-CG 4.3Å; R102-L183 HydrophobicContact CG-CD2 3.84Å; R102-L183 HydrophobicContact CG-CG 4.29Å; R102-L183 WeakPolarHBondContact O-CD1 3.49Å
103K94Very high93Very high122 Ų12247.7 Ų47.753%0.5325%0.25SS..Hα-helixtrans-60.5-46.2179.4-69.8174.3-175.6176.90111.5S99 F100 Q105 Q106 E107S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 2.84Å; F100-K103 PolarHBondContact O-N 3.16Å; K103-Q105 VanDerWaalsContact C-N 3.33Å; K103-Q105 PolarHBondContact O-N 2.87Å; K103-Q106 PolarHBondContact O-N 2.78Å; K103-E107 WeakPolarHBondContact O-CB 3.48Å; K103-E107 WeakPolarHBondContact O-CG 3.46Å; K103-E107 PolarHBondContact O-N 2.98Å
104A95.5Very high93.5Very high2 Ų248.9 Ų48.92%0.01724%0.243CC..Hα-helixtrans-63.5-37.4178.600000112.3C32 V34 F100 R102 T108C32-A104 VanDerWaalsContact CB-C 3.47Å; C32-A104 HydrophobicContact CB-CB 3.62Å; C32-A104 WeakPolarHBondContact CB-O 3.36Å; V34-A104 HydrophobicContact CG1-CB 3.81Å; F100-A104 HydrophobicContact CE1-CB 4.49Å; F100-A104 VanDerWaalsContact O-CB 3.24Å; F100-A104 WeakPolarHBondContact O-CB 3.18Å; F100-A104 PolarHBondContact O-N 3.04Å; R102-A104 PolarHBondContact O-N 2.59Å; A104-T108 VanDerWaalsContact O-CB 3.32Å; A104-T108 WeakPolarHBondContact O-CB 3.47Å; A104-T108 PolarHBondContact O-N 3.01Å; A104-T108 PolarHBondContact O-OG1 3.22Å
105Q95.5Very high93.9Very high8 Ų855.4 Ų55.44%0.03728%0.277CS..Hα-helixtrans-61.3-48.5174.5-169.7-178.723.500111H31 L101 R102 K103 T108 Q109 V186 S187H31-Q105 PolarHBondContact CE1-OE1 2.82Å; L101-Q105 WeakPolarHBondContact O-CB 3.19Å; L101-Q105 PolarHBondContact O-N 2.76Å; R102-Q105 WeakPolarHBondContact O-CB 3.32Å; R102-Q105 PolarHBondContact O-N 2.91Å; K103-Q105 VanDerWaalsContact C-N 3.33Å; K103-Q105 PolarHBondContact O-N 2.87Å; Q105-T108 PolarHBondContact O-N 3.3Å; Q105-Q109 PolarHBondContact O-N 3.11Å; Q105-V186 HydrophobicContact CG-CG1 3.9Å; Q105-S187 PolarHBondContact NE2-OG 3.09Å; Q105-S187 VanDerWaalsContact NE2-OG 3.11Å
106Q92.3Very high94.2Very high29 Ų2950.9 Ų50.914%0.13626%0.259CS..Hα-helixtrans-63.1-47.2-179.8-168.4173.31700112.1R102 K103 T108 Q109 Q110 I111 T113 L183R102-Q106 PolarHBondContact O-N 2.79Å; K103-Q106 PolarHBondContact O-N 2.78Å; Q106-T108 VanDerWaalsContact C-N 3.31Å; Q106-T108 PolarHBondContact O-N 3.42Å; Q106-Q109 PolarHBondContact O-N 2.86Å; Q106-Q110 PolarHBondContact O-N 2.85Å; Q106-I111 WeakPolarHBondContact CG-O 3.33Å; Q106-I111 PolarHBondContact NE2-O 3.04Å; Q106-I111 PolarHBondContact O-N 3.41Å; Q106-T113 PolarHBondContact NE2-OG1 3.1Å; Q106-L183 HydrophobicContact CB-CD1 3.82Å; Q106-L183 HydrophobicContact CG-CD1 4.43Å
107E92.4Very high94.4Very high114 Ų11452.1 Ų52.153%0.53327%0.274SS..Hα-helixtrans-59-41.4176.2-75174.3-168.100111.9Q38 K103 Q109 Q110Q38-E107 PolarHBondContact NE2-OE2 3.06Å; Q38-E107 VanDerWaalsContact NE2-OE2 3.15Å; K103-E107 WeakPolarHBondContact O-CB 3.48Å; K103-E107 WeakPolarHBondContact O-CG 3.46Å; K103-E107 PolarHBondContact O-N 2.98Å; E107-Q109 VanDerWaalsContact C-N 3.3Å; E107-Q109 PolarHBondContact O-N 2.99Å; E107-Q110 PolarHBondContact O-N 3.25Å; E107-Q110 VanDerWaalsContact O-N 3.17Å
108T92.9Very high94.5Very high20 Ų2052.6 Ų52.612%0.12328%0.277CS..Hα-helixtrans-62.8-38-179-62.50000112.2C32 R33 A104 Q105 Q106C32-T108 VanDerWaalsContact CA-OG1 3.26Å; C32-T108 WeakPolarHBondContact CA-OG1 3.41Å; C32-T108 WeakPolarHBondContact CB-OG1 3.26Å; R33-T108 HydrophobicContact CB-CG2 4.1Å; R33-T108 HydrophobicContact CG-CG2 3.76Å; R33-T108 PolarHBondContact N-OG1 3.35Å; A104-T108 VanDerWaalsContact O-CB 3.32Å; A104-T108 WeakPolarHBondContact O-CB 3.47Å; A104-T108 PolarHBondContact O-N 3.01Å; A104-T108 PolarHBondContact O-OG1 3.22Å; Q105-T108 PolarHBondContact O-N 3.3Å; Q106-T108 VanDerWaalsContact C-N 3.31Å; Q106-T108 PolarHBondContact O-N 3.42Å
109Q90.6Very high94.8Very high57 Ų5754.8 Ų54.827%0.26629%0.288SS..Hα-helixtrans-89.9-6179.7-57.7-59.1-29.700112.7Q105 Q106 E107 I111 V186 S190Q105-Q109 PolarHBondContact O-N 3.11Å; Q106-Q109 PolarHBondContact O-N 2.86Å; E107-Q109 VanDerWaalsContact C-N 3.3Å; E107-Q109 PolarHBondContact O-N 2.99Å; Q109-I111 HydrophobicContact CB-CD1 3.95Å; Q109-I111 HydrophobicContact CB-CG1 3.9Å; Q109-I111 PolarHBondContact O-N 3.43Å; Q109-V186 HydrophobicContact CB-CG1 3.82Å; Q109-V186 HydrophobicContact CG-CG1 3.46Å; Q109-V186 VanDerWaalsContact CG-CG1 3.46Å; Q109-S190 VanDerWaalsContact CD-CB 3.49Å
110Q91.5Very high95Very high158 Ų15853.7 Ų53.774%0.73828%0.281SS*.THydrogen-bonded Turntrans56.234.2-178.5-55.6-179.6-1000113.1Q106 E107Q106-Q110 PolarHBondContact O-N 2.85Å; E107-Q110 PolarHBondContact O-N 3.25Å; E107-Q110 VanDerWaalsContact O-N 3.17Å
111I91Very high95Very high25 Ų2552.8 Ų52.813%0.12828%0.278CS..  trans-93.1114.9-179.8-63.1-178.7000108.5Q106 Q109 T134 Y185 V186 T189Q106-I111 WeakPolarHBondContact CG-O 3.33Å; Q106-I111 PolarHBondContact NE2-O 3.04Å; Q106-I111 PolarHBondContact O-N 3.41Å; Q109-I111 HydrophobicContact CB-CD1 3.95Å; Q109-I111 HydrophobicContact CB-CG1 3.9Å; Q109-I111 PolarHBondContact O-N 3.43Å; I111-T134 HydrophobicContact CG2-CG2 4.17Å; I111-Y185 HydrophobicContact CG2-CD1 4.42Å; I111-Y185 HydrophobicContact CG2-CE1 4.29Å; I111-V186 HydrophobicContact CB-CG2 4.47Å; I111-V186 HydrophobicContact CD1-CB 4.34Å; I111-V186 HydrophobicContact CD1-CG1 4.12Å; I111-V186 HydrophobicContact CD1-CG2 4.16Å; I111-V186 HydrophobicContact CG2-CG2 4.49Å; I111-T189 HydrophobicContact CD1-CG2 4.17Å
112P92.6Very high95.1Very high81 Ų8153.5 Ų53.553%0.52628%0.282SS..  trans-67.7160.117730.8-35.5000111.1E114 T134P112-E114 PolarHBondContact O-N 3.07Å; P112-T134 PolarHBondContact O-OG1 2.93Å
113T95.2Very high95Very high53 Ų5352.6 Ų52.633%0.32528%0.28SS..  trans-75.7113.6170.9-59.60000109.7Q106 L133 T134 S135Q106-T113 PolarHBondContact NE2-OG1 3.1Å; T113-L133 HydrophobicContact CG2-CB 4.49Å; T113-T134 WeakPolarHBondContact CA-OG1 3.19Å; T113-S135 WeakPolarHBondContact CG2-OG 3.5Å
114E96.3Very high94.6Very high101 Ų10150.2 Ų50.247%0.47227%0.273SS..  trans-151.2162.2179.361.6-173.7-174.200111.5P112 L133 T134P112-E114 PolarHBondContact O-N 3.07Å; E114-L133 CarbonylContact O-C 3.57Å; E114-L133 WeakPolarHBondContact O-CA 3.29Å; E114-T134 HydrophobicContact CG-CG2 3.75Å; E114-T134 PolarHBondContact N-OG1 3.47Å; E114-T134 VanDerWaalsContact N-OG1 3.1Å; E114-T134 PolarHBondContact O-N 3.38Å
115D97.9Very high94.3Very high143 Ų14352.7 Ų52.777%0.76530%0.299SS*.EExtended strand (participates in β ladder)trans-66.3131.5172.7-69-61.5000110.4
116A97.5Very high94.2Very high15 Ų1558 Ų5812%0.12432%0.324CS..EExtended strand (participates in β ladder)trans-139.9152.5179.900000111.5N131 I132 T134 Y185A116-N131 WeakPolarHBondContact O-CA 3.43Å; A116-I132 PolarHBondContact N-O 3.23Å; A116-I132 PolarHBondContact O-N 2.73Å; A116-I132 VanDerWaalsContact O-O 3.11Å; A116-T134 HydrophobicContact CB-CG2 3.81Å; A116-Y185 HydrophobicContact CB-CD2 3.87Å; A116-Y185 HydrophobicContact CB-CE2 3.51Å
117A97.8Very high94.4Very high64 Ų6462.3 Ų62.353%0.52934%0.342SS..EExtended strand (participates in β ladder)trans-95.3131.7167.300000109.2T129 V130A117-T129 HydrophobicContact CB-CG2 3.85Å; A117-V130 WeakPolarHBondContact CA-O 3.12Å
118L98.2Very high94.7Very high10 Ų1057.7 Ų57.75%0.05232%0.322CS..EExtended strand (participates in β ladder)trans-126.6128.9177.2-177.263.5000110.5I120 T129 V130 I132 V141 P184 Y185 I188 I198L118-I120 HydrophobicContact CD2-CD1 4.06Å; L118-I120 HydrophobicContact CG-CD1 4.13Å; L118-T129 WeakPolarHBondContact O-CA 3.47Å; L118-V130 HydrophobicContact CB-CG2 4.19Å; L118-V130 PolarHBondContact N-O 2.92Å; L118-V130 WeakPolarHBondContact O-CG2 3.38Å; L118-V130 PolarHBondContact O-N 3.43Å; L118-I132 HydrophobicContact CB-CD1 3.65Å; L118-I132 HydrophobicContact CB-CG1 4.08Å; L118-I132 HydrophobicContact CD2-CD1 3.58Å; L118-I132 HydrophobicContact CG-CD1 4.25Å; L118-V141 HydrophobicContact CD2-CG1 3.89Å; L118-P184 HydrophobicContact CD2-CB 4.13Å; L118-Y185 HydrophobicContact CD1-CD2 4.36Å; L118-I188 HydrophobicContact CD1-CG2 4.03Å; L118-I198 HydrophobicContact CD1-CD1 4.25Å; L118-I198 HydrophobicContact CD2-CD1 3.96Å; L118-I198 HydrophobicContact CG-CD1 4.49Å
119D98.2Very high94.9Very high64 Ų6459.6 Ų59.634%0.34233%0.333SS..EExtended strand (participates in β ladder)trans-84.1124.6175.2-77.3-13.3000110.9K127 T129D119-K127 HydrophobicContact CB-CD 4.38Å; D119-T129 WeakPolarHBondContact OD1-CB 3.14Å; D119-T129 WeakPolarHBondContact OD1-CG2 3.2Å; D119-T129 PolarHBondContact OD1-OG1 3.22Å
120I98.4Very high95.3Very high1 Ų157 Ų571%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-107.6115.3170.8-51.1-59.2000108.6L118 V128 V130 V141 A145 L161 I198 L200L118-I120 HydrophobicContact CD2-CD1 4.06Å; L118-I120 HydrophobicContact CG-CD1 4.13Å; I120-V128 PolarHBondContact N-O 2.82Å; I120-V128 PolarHBondContact O-N 2.92Å; I120-V130 HydrophobicContact CG1-CG2 4.07Å; I120-V141 HydrophobicContact CD1-CG1 3.83Å; I120-A145 HydrophobicContact CG1-CB 4.25Å; I120-A145 HydrophobicContact CG2-CB 4.45Å; I120-L161 HydrophobicContact CG2-CD2 3.96Å; I120-I198 HydrophobicContact CD1-CB 4.15Å; I120-I198 HydrophobicContact CD1-CG2 3.75Å; I120-L200 HydrophobicContact CG2-CB 3.94Å
121C97.6Very high95.6Very high11 Ų1156.2 Ų56.27%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-79.7140179.1-67.70000110.9Q126 I198 I199 L200C121-Q126 CarbonylContact C-O 3.55Å; C121-Q126 WeakPolarHBondContact CA-O 3.46Å; C121-I198 WeakPolarHBondContact CB-O 3.26Å; C121-I198 PolarHBondContact N-O 3.46Å; C121-I199 HydrophobicContact CB-CG1 3.7Å; C121-I199 CarbonylContact O-C 3.58Å; C121-I199 VanDerWaalsContact O-CA 3.24Å; C121-I199 WeakPolarHBondContact O-CA 3.42Å; C121-L200 PolarHBondContact O-N 3.26Å
122L96.6Very high95.9Very high15 Ų1555.2 Ų55.28%0.07932%0.317CS..  trans-91.4163.6167.2-56.2-174.3000109.7N124 G125 Q126 V128 L149 L200 L222L122-N124 WeakPolarHBondContact CB-OD1 3.25Å; L122-N124 PolarHBondContact O-N 3.13Å; L122-N124 VanDerWaalsContact O-N 3.08Å; L122-G125 PolarHBondContact O-N 2.81Å; L122-Q126 HydrophobicContact CB-CB 4.43Å; L122-Q126 HydrophobicContact CD1-CB 4.23Å; L122-Q126 HydrophobicContact CG-CB 4.49Å; L122-Q126 PolarHBondContact N-O 2.94Å; L122-V128 HydrophobicContact CD1-CG2 4.23Å; L122-V128 HydrophobicContact CD2-CG2 4.22Å; L122-V128 HydrophobicContact CG-CG2 4.13Å; L122-L149 HydrophobicContact CD1-CD2 4.26Å; L122-L149 HydrophobicContact CD2-CD1 4.11Å; L122-L200 HydrophobicContact CD2-CB 4.2Å; L122-L200 HydrophobicContact CD2-CD2 4.06Å; L122-L222 HydrophobicContact CD1-CD2 4.25Å; L122-L222 HydrophobicContact CD2-CD2 3.95Å
123S92.3Very high96.2Very high11 Ų1152.6 Ų52.68%0.07730%0.299CS..THydrogen-bonded Turntrans-63.2-19.3-176.9-65.30000114.2G125 S229S123-G125 VanDerWaalsContact C-N 3.34Å; S123-S229 WeakPolarHBondContact O-CB 3.29Å; S123-S229 PolarHBondContact O-OG 3.28Å
124N86.4Confident96.3Very high72 Ų7250 Ų5039%0.38528%0.283SS..THydrogen-bonded Turntrans-90.28.7174.565.4-2.2000113.7L122 Q126 A225L122-N124 WeakPolarHBondContact CB-OD1 3.25Å; L122-N124 PolarHBondContact O-N 3.13Å; L122-N124 VanDerWaalsContact O-N 3.08Å; N124-Q126 VanDerWaalsContact C-N 3.31Å; N124-Q126 PolarHBondContact ND2-OE1 3.39Å; N124-Q126 PolarHBondContact O-N 2.97Å; N124-Q126 WeakPolarHBondContact OD1-CB 3.5Å; N124-Q126 WeakPolarHBondContact OD1-CG 3.47Å; N124-Q126 PolarHBondContact OD1-N 3.26Å; N124-Q126 VanDerWaalsContact OD1-N 3.1Å; N124-A225 HydrophobicContact CB-CB 4.08Å
125G89.6Confident96.3Very high55 Ų5545.9 Ų45.957%0.56727%0.265SS*.SBendtrans82.9-4.4-179.700000115.3L122 S123L122-G125 PolarHBondContact O-N 2.81Å; S123-G125 VanDerWaalsContact C-N 3.34Å
126Q93.9Very high96.2Very high119 Ų11939.7 Ų39.756%0.55623%0.232SC*.  trans-65.2143172.1-68.1-177.3-56.100110.5C121 L122 N124C121-Q126 CarbonylContact C-O 3.55Å; C121-Q126 WeakPolarHBondContact CA-O 3.46Å; L122-Q126 HydrophobicContact CB-CB 4.43Å; L122-Q126 HydrophobicContact CD1-CB 4.23Å; L122-Q126 HydrophobicContact CG-CB 4.49Å; L122-Q126 PolarHBondContact N-O 2.94Å; N124-Q126 VanDerWaalsContact C-N 3.31Å; N124-Q126 PolarHBondContact ND2-OE1 3.39Å; N124-Q126 PolarHBondContact O-N 2.97Å; N124-Q126 WeakPolarHBondContact OD1-CB 3.5Å; N124-Q126 WeakPolarHBondContact OD1-CG 3.47Å; N124-Q126 PolarHBondContact OD1-N 3.26Å; N124-Q126 VanDerWaalsContact OD1-N 3.1Å
127K96.3Very high96.1Very high119 Ų11940.8 Ų40.852%0.51723%0.234SC..EExtended strand (participates in β ladder)trans-107.7137.2178.2-61.3-173.3178.2-175.30111D119D119-K127 HydrophobicContact CB-CD 4.38Å
128V97.3Very high96.1Very high17 Ų1738 Ų3810%0.10321%0.211CC..EExtended strand (participates in β ladder)trans-115.9106.1174.8-1790000107.4I120 L122 V130 K148 L149I120-V128 PolarHBondContact N-O 2.82Å; I120-V128 PolarHBondContact O-N 2.92Å; L122-V128 HydrophobicContact CD1-CG2 4.23Å; L122-V128 HydrophobicContact CD2-CG2 4.22Å; L122-V128 HydrophobicContact CG-CG2 4.13Å; V128-V130 HydrophobicContact CG1-CG1 4.36Å; V128-K148 HydrophobicContact CG1-CB 3.81Å; V128-K148 HydrophobicContact CG1-CG 3.31Å; V128-L149 HydrophobicContact CG1-CG 4.43Å; V128-L149 HydrophobicContact CG2-CD2 3.74Å; V128-L149 HydrophobicContact CG2-CG 4.23Å
129T98.4Very high95.9Very high60 Ų6039 Ų3937%0.36822%0.216SC..EExtended strand (participates in β ladder)trans-82.5123.3176.5-45.90000110A117 L118 D119A117-T129 HydrophobicContact CB-CG2 3.85Å; L118-T129 WeakPolarHBondContact O-CA 3.47Å; D119-T129 WeakPolarHBondContact OD1-CB 3.14Å; D119-T129 WeakPolarHBondContact OD1-CG2 3.2Å; D119-T129 PolarHBondContact OD1-OG1 3.22Å
130V98.3Very high95.9Very high4 Ų438.8 Ų38.82%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-111.6146.2176.3-64.20000110.3A117 L118 I120 V128 I132 V141 A144 A145 K148A117-V130 WeakPolarHBondContact CA-O 3.12Å; L118-V130 HydrophobicContact CB-CG2 4.19Å; L118-V130 PolarHBondContact N-O 2.92Å; L118-V130 WeakPolarHBondContact O-CG2 3.38Å; L118-V130 PolarHBondContact O-N 3.43Å; I120-V130 HydrophobicContact CG1-CG2 4.07Å; V128-V130 HydrophobicContact CG1-CG1 4.36Å; V130-I132 HydrophobicContact CB-CG2 4.31Å; V130-I132 HydrophobicContact CG2-CG2 3.77Å; V130-V141 HydrophobicContact CG2-CG1 4.43Å; V130-A144 HydrophobicContact CB-CB 4.13Å; V130-A144 HydrophobicContact CG1-CB 4.28Å; V130-A145 HydrophobicContact CG1-CB 4.18Å; V130-K148 HydrophobicContact CG1-CB 4.14Å; V130-K148 HydrophobicContact CG1-CG 4.46Å
131N97.8Very high95.9Very high140 Ų14038.7 Ų38.775%0.74921%0.214SC*.EExtended strand (participates in β ladder)trans-95.3123.2172.5-63-21.3000108A116A116-N131 WeakPolarHBondContact O-CA 3.43Å
132I98Very high95.9Very high5 Ų539.1 Ų39.13%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-138.3169.3-172.959.7162.2000109.6A116 L118 V130 D136 V141 A144 Y185A116-I132 PolarHBondContact N-O 3.23Å; A116-I132 PolarHBondContact O-N 2.73Å; A116-I132 VanDerWaalsContact O-O 3.11Å; L118-I132 HydrophobicContact CB-CD1 3.65Å; L118-I132 HydrophobicContact CB-CG1 4.08Å; L118-I132 HydrophobicContact CD2-CD1 3.58Å; L118-I132 HydrophobicContact CG-CD1 4.25Å; V130-I132 HydrophobicContact CB-CG2 4.31Å; V130-I132 HydrophobicContact CG2-CG2 3.77Å; I132-D136 WeakPolarHBondContact CA-OD2 3.37Å; I132-D136 HydrophobicContact CB-CB 4.33Å; I132-D136 VanDerWaalsContact CB-OD2 3.31Å; I132-D136 WeakPolarHBondContact CB-OD2 3.27Å; I132-V141 HydrophobicContact CD1-CG2 4.01Å; I132-V141 HydrophobicContact CG2-CG2 4.16Å; I132-A144 HydrophobicContact CG2-CB 4.24Å; I132-Y185 HydrophobicContact CD1-CD2 4.36Å
133L98Very high95.9Very high25 Ų2540.6 Ų40.613%0.13122%0.223CC..EExtended strand (participates in β ladder)trans-85.1147.4158.4-59172.1000109.5T113 E114 S135 D136T113-L133 HydrophobicContact CG2-CB 4.49Å; E114-L133 CarbonylContact O-C 3.57Å; E114-L133 WeakPolarHBondContact O-CA 3.29Å; L133-S135 PolarHBondContact O-N 2.89Å; L133-D136 WeakPolarHBondContact CB-OD1 3.34Å; L133-D136 VanDerWaalsContact N-CG 3.34Å; L133-D136 PolarHBondContact N-OD2 3.47Å; L133-D136 VanDerWaalsContact O-CB 3.31Å; L133-D136 WeakPolarHBondContact O-CB 3.48Å; L133-D136 PolarHBondContact O-N 3.49Å
134T96.7Very high96.2Very high0 Ų041.4 Ų41.40%023%0.231CC..THydrogen-bonded Turntrans-58.3-19.6171.255.30000113I111 P112 T113 E114 A116 Y185I111-T134 HydrophobicContact CG2-CG2 4.17Å; P112-T134 PolarHBondContact O-OG1 2.93Å; T113-T134 WeakPolarHBondContact CA-OG1 3.19Å; E114-T134 HydrophobicContact CG-CG2 3.75Å; E114-T134 PolarHBondContact N-OG1 3.47Å; E114-T134 VanDerWaalsContact N-OG1 3.1Å; E114-T134 PolarHBondContact O-N 3.38Å; A116-T134 HydrophobicContact CB-CG2 3.81Å; T134-Y185 HydrophobicContact CG2-CD1 3.53Å; T134-Y185 HydrophobicContact CG2-CD2 4.5Å; T134-Y185 HydrophobicContact CG2-CE1 3.48Å; T134-Y185 VanDerWaalsContact CG2-CE1 3.48Å; T134-Y185 HydrophobicContact CG2-CE2 4.46Å; T134-Y185 HydrophobicContact CG2-CG 4.07Å
135S96.1Very high96.7Very high14 Ų1438 Ų3810%0.09821%0.213CC..THydrogen-bonded Turntrans-95.42.1175.666.50000115T113 L133 L183T113-S135 WeakPolarHBondContact CG2-OG 3.5Å; L133-S135 PolarHBondContact O-N 2.89Å; S135-L183 WeakPolarHBondContact O-CD2 3.47Å
136D97.1Very high97.1Very high12 Ų1235.5 Ų35.56%0.06419%0.187CC..  trans-65.9137.4177.4-79.1-7.1000110.1I132 L133 D140 V141 L183 P184I132-D136 WeakPolarHBondContact CA-OD2 3.37Å; I132-D136 HydrophobicContact CB-CB 4.33Å; I132-D136 VanDerWaalsContact CB-OD2 3.31Å; I132-D136 WeakPolarHBondContact CB-OD2 3.27Å; L133-D136 WeakPolarHBondContact CB-OD1 3.34Å; L133-D136 VanDerWaalsContact N-CG 3.34Å; L133-D136 PolarHBondContact N-OD2 3.47Å; L133-D136 VanDerWaalsContact O-CB 3.31Å; L133-D136 WeakPolarHBondContact O-CB 3.48Å; L133-D136 PolarHBondContact O-N 3.49Å; D136-D140 HydrophobicContact CB-CB 3.84Å; D136-V141 HydrophobicContact CB-CG2 4.04Å; D136-L183 WeakPolarHBondContact O-CD2 3.43Å; D136-P184 VanDerWaalsContact O-CD 3.24Å; D136-P184 WeakPolarHBondContact O-CD 3.47Å
137Q96Very high97.3Very high38 Ų3835.2 Ų35.218%0.17819%0.193CC..  trans-83.1170179.676.1-170-10.400111.5E139 D140 V141 D180 E182Q137-E139 HydrophobicContact CG-CB 4.37Å; Q137-E139 PolarHBondContact O-N 2.93Å; Q137-E139 VanDerWaalsContact O-N 3.13Å; Q137-D140 WeakPolarHBondContact CG-OD2 3.44Å; Q137-D140 PolarHBondContact N-OD2 3.05Å; Q137-D140 PolarHBondContact O-N 2.88Å; Q137-V141 PolarHBondContact O-N 3.04Å; Q137-V141 VanDerWaalsContact O-N 3.12Å; Q137-D180 PolarHBondContact OE1-O 3.18Å; Q137-E182 CarbonylContact C-O 3.46Å; Q137-E182 WeakPolarHBondContact CA-O 3.33Å
138T96.7Very high97.4Very high7 Ų736.1 Ų36.14%0.04320%0.197CC..Hα-helixtrans-51.5-39.2-178-60.70000113.8L142 L161 L178 Q179 E182T138-L142 WeakPolarHBondContact O-CB 3.18Å; T138-L142 PolarHBondContact O-N 3.25Å; T138-L161 HydrophobicContact CG2-CB 4.4Å; T138-L161 HydrophobicContact CG2-CD1 4.32Å; T138-L178 HydrophobicContact CG2-CB 3.76Å; T138-Q179 VanDerWaalsContact CB-O 3.31Å; T138-Q179 WeakPolarHBondContact CB-O 3.47Å; T138-Q179 PolarHBondContact OG1-O 3.12Å; T138-E182 PolarHBondContact N-O 3.11Å; T138-E182 PolarHBondContact OG1-O 3.12Å
139E94.8Very high97.4Very high31 Ų3137 Ų3715%0.14520%0.201CC..Hα-helixtrans-67.7-45.1177.7-64.1-167.3150.600112.4Q137 V141 L142 D143 R399Q137-E139 HydrophobicContact CG-CB 4.37Å; Q137-E139 PolarHBondContact O-N 2.93Å; Q137-E139 VanDerWaalsContact O-N 3.13Å; E139-V141 VanDerWaalsContact C-N 3.28Å; E139-V141 PolarHBondContact O-N 3.32Å; E139-L142 WeakPolarHBondContact O-CB 3.42Å; E139-L142 PolarHBondContact O-N 3.29Å; E139-L142 VanDerWaalsContact O-N 3.11Å; E139-D143 PolarHBondContact O-N 2.93Å; E139-R399 WeakPolarHBondContact OE1-CA 3.37Å; E139-R399 VanDerWaalsContact OE1-CB 3.32Å; E139-R399 WeakPolarHBondContact OE1-CB 3.09Å
140D96.7Very high97.4Very high58 Ų5840.5 Ų40.531%0.3122%0.217SC..Hα-helixtrans-58.3-42.4178-56.9-33.5000111.2D136 Q137 D143 A144D136-D140 HydrophobicContact CB-CB 3.84Å; Q137-D140 WeakPolarHBondContact CG-OD2 3.44Å; Q137-D140 PolarHBondContact N-OD2 3.05Å; Q137-D140 PolarHBondContact O-N 2.88Å; D140-D143 PolarHBondContact O-N 3.36Å; D140-A144 WeakPolarHBondContact O-CB 3.47Å; D140-A144 PolarHBondContact O-N 3.41Å
141V98.4Very high97.3Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-69.9-37.7178.2-179.50000111.5L118 I120 V130 I132 D136 Q137 E139 A144 A145 L161 P184L118-V141 HydrophobicContact CD2-CG1 3.89Å; I120-V141 HydrophobicContact CD1-CG1 3.83Å; V130-V141 HydrophobicContact CG2-CG1 4.43Å; I132-V141 HydrophobicContact CD1-CG2 4.01Å; I132-V141 HydrophobicContact CG2-CG2 4.16Å; D136-V141 HydrophobicContact CB-CG2 4.04Å; Q137-V141 PolarHBondContact O-N 3.04Å; Q137-V141 VanDerWaalsContact O-N 3.12Å; E139-V141 VanDerWaalsContact C-N 3.28Å; E139-V141 PolarHBondContact O-N 3.32Å; V141-A144 PolarHBondContact O-N 2.97Å; V141-A145 WeakPolarHBondContact O-CB 3.46Å; V141-A145 PolarHBondContact O-N 3.42Å; V141-L161 HydrophobicContact CB-CD1 4.01Å; V141-L161 HydrophobicContact CG1-CD1 3.76Å; V141-P184 HydrophobicContact CB-CB 4.48Å; V141-P184 HydrophobicContact CB-CG 4Å; V141-P184 HydrophobicContact CG1-CB 4.39Å; V141-P184 HydrophobicContact CG1-CG 4.41Å; V141-P184 HydrophobicContact CG2-CB 4.14Å; V141-P184 HydrophobicContact CG2-CG 3.7Å
142L98.1Very high97.2Very high20 Ų2035.9 Ų35.911%0.10519%0.194CC..Hα-helixtrans-64.5-43.6175.9177.861.3000111T138 E139 A145 A146 V156 L161 L200T138-L142 WeakPolarHBondContact O-CB 3.18Å; T138-L142 PolarHBondContact O-N 3.25Å; E139-L142 WeakPolarHBondContact O-CB 3.42Å; E139-L142 PolarHBondContact O-N 3.29Å; E139-L142 VanDerWaalsContact O-N 3.11Å; L142-A145 PolarHBondContact O-N 3.36Å; L142-A146 WeakPolarHBondContact O-CB 3.37Å; L142-A146 PolarHBondContact O-N 2.74Å; L142-V156 HydrophobicContact CD2-CG1 3.89Å; L142-V156 HydrophobicContact CG-CG1 3.79Å; L142-L161 HydrophobicContact CB-CD1 4.25Å; L142-L161 HydrophobicContact CB-CG 4.3Å; L142-L161 HydrophobicContact CD1-CD2 4.15Å; L142-L161 HydrophobicContact CD1-CG 4.24Å; L142-L200 HydrophobicContact CD1-CD1 3.37Å
143D96.9Very high97Very high45 Ų4541.1 Ų41.124%0.24122%0.222CC..Hα-helixtrans-64.7-43.7176.4-72.8-12.6000110.9E139 D140 A145 A146 V147 H400E139-D143 PolarHBondContact O-N 2.93Å; D140-D143 PolarHBondContact O-N 3.36Å; D143-A145 VanDerWaalsContact C-N 3.28Å; D143-A145 PolarHBondContact O-N 3.27Å; D143-A146 WeakPolarHBondContact O-CB 3.36Å; D143-A146 PolarHBondContact O-N 3Å; D143-A146 VanDerWaalsContact O-N 3.16Å; D143-V147 WeakPolarHBondContact O-CG2 3.43Å; D143-V147 PolarHBondContact O-N 3.46Å; D143-H400 IonicContact OD1-CE1 2.62Å; D143-H400 PolarHBondContact OD1-CE1 3.38Å; D143-H400 VanDerWaalsContact OD1-CE1 3.31Å; D143-H400 IonicContact OD1-ND1 2.79Å; D143-H400 PolarHBondContact OD1-ND1 3.24Å; D143-H400 IonicContact OD2-CE1 3.5Å; D143-H400 PolarHBondContact OD2-CE1 3.1Å; D143-H400 IonicContact OD2-ND1 3.77Å
144A98.1Very high96.7Very high29 Ų2943.8 Ų43.824%0.2424%0.237CC..Hα-helixtrans-59-40.1174.400000112.1V130 I132 D140 V141 K148V130-A144 HydrophobicContact CB-CB 4.13Å; V130-A144 HydrophobicContact CG1-CB 4.28Å; I132-A144 HydrophobicContact CG2-CB 4.24Å; D140-A144 WeakPolarHBondContact O-CB 3.47Å; D140-A144 PolarHBondContact O-N 3.41Å; V141-A144 PolarHBondContact O-N 2.97Å; A144-K148 WeakPolarHBondContact O-CB 3.29Å; A144-K148 PolarHBondContact O-N 3.08Å
145A98.3Very high96.6Very high0 Ų044.1 Ų44.10%024%0.239CC..Hα-helixtrans-68-40.5175.400000112.1I120 V130 V141 L142 D143 K148 L149I120-A145 HydrophobicContact CG1-CB 4.25Å; I120-A145 HydrophobicContact CG2-CB 4.45Å; V130-A145 HydrophobicContact CG1-CB 4.18Å; V141-A145 WeakPolarHBondContact O-CB 3.46Å; V141-A145 PolarHBondContact O-N 3.42Å; L142-A145 PolarHBondContact O-N 3.36Å; D143-A145 VanDerWaalsContact C-N 3.28Å; D143-A145 PolarHBondContact O-N 3.27Å; A145-K148 PolarHBondContact O-N 3.09Å; A145-L149 WeakPolarHBondContact O-CB 3.44Å; A145-L149 VanDerWaalsContact O-CG 3.29Å; A145-L149 WeakPolarHBondContact O-CG 3.43Å; A145-L149 PolarHBondContact O-N 3.01Å
146A97.6Very high96.6Very high3 Ų343.6 Ų43.63%0.02524%0.235CC..Hα-helixtrans-62.7-47.8176.800000111.8L142 D143 K148 L149 D150 L151 V156L142-A146 WeakPolarHBondContact O-CB 3.37Å; L142-A146 PolarHBondContact O-N 2.74Å; D143-A146 WeakPolarHBondContact O-CB 3.36Å; D143-A146 PolarHBondContact O-N 3Å; D143-A146 VanDerWaalsContact O-N 3.16Å; A146-K148 VanDerWaalsContact C-N 3.3Å; A146-K148 PolarHBondContact O-N 3.38Å; A146-L149 CarbonylContact O-C 3.52Å; A146-L149 PolarHBondContact O-N 3.25Å; A146-L149 VanDerWaalsContact O-N 3.08Å; A146-D150 PolarHBondContact O-N 2.89Å; A146-L151 HydrophobicContact CB-CB 4.13Å; A146-L151 HydrophobicContact CB-CD2 4.37Å; A146-L151 PolarHBondContact O-N 2.8Å; A146-V156 HydrophobicContact CB-CG1 4.45Å; A146-V156 HydrophobicContact CB-CG2 3.55Å
147V97.6Very high96.4Very high112 Ų11243.9 Ų43.968%0.67924%0.24SC*.Hα-helixtrans-57.7-44.4174.5170.40000110.7D143 L149 D150D143-V147 WeakPolarHBondContact O-CG2 3.43Å; D143-V147 PolarHBondContact O-N 3.46Å; V147-L149 PolarHBondContact O-N 2.85Å; V147-D150 PolarHBondContact O-N 3.06Å
148K98.1Very high96.4Very high139 Ų13942.1 Ų42.160%0.60423%0.232SC*.Hα-helixtrans-64.3-29178.7-170.764.1171.5-168.80113V128 V130 A144 A145 A146V128-K148 HydrophobicContact CG1-CB 3.81Å; V128-K148 HydrophobicContact CG1-CG 3.31Å; V130-K148 HydrophobicContact CG1-CB 4.14Å; V130-K148 HydrophobicContact CG1-CG 4.46Å; A144-K148 WeakPolarHBondContact O-CB 3.29Å; A144-K148 PolarHBondContact O-N 3.08Å; A145-K148 PolarHBondContact O-N 3.09Å; A146-K148 VanDerWaalsContact C-N 3.3Å; A146-K148 PolarHBondContact O-N 3.38Å
149L97.9Very high96.5Very high35 Ų3541.9 Ų41.918%0.18323%0.23CC..Hα-helixtrans-90.8-6.3179.1-74.9170.1000114.1L122 V128 A145 A146 V147 L151 L200 V218 L222L122-L149 HydrophobicContact CD1-CD2 4.26Å; L122-L149 HydrophobicContact CD2-CD1 4.11Å; V128-L149 HydrophobicContact CG1-CG 4.43Å; V128-L149 HydrophobicContact CG2-CD2 3.74Å; V128-L149 HydrophobicContact CG2-CG 4.23Å; A145-L149 WeakPolarHBondContact O-CB 3.44Å; A145-L149 VanDerWaalsContact O-CG 3.29Å; A145-L149 WeakPolarHBondContact O-CG 3.43Å; A145-L149 PolarHBondContact O-N 3.01Å; A146-L149 CarbonylContact O-C 3.52Å; A146-L149 PolarHBondContact O-N 3.25Å; A146-L149 VanDerWaalsContact O-N 3.08Å; V147-L149 PolarHBondContact O-N 2.85Å; L149-L151 HydrophobicContact CB-CB 4.47Å; L149-L151 PolarHBondContact O-N 2.85Å; L149-L200 HydrophobicContact CD1-CD2 3.51Å; L149-V218 HydrophobicContact CB-CG1 4.38Å; L149-V218 WeakPolarHBondContact O-CG1 3.4Å; L149-L222 HydrophobicContact CD1-CD2 4.44Å
150D97.9Very high96.6Very high133 Ų13341 Ų4171%0.71123%0.228SC*.THydrogen-bonded Turntrans5835.1-169.2-163.140.5000112.2A146 V147 V218A146-D150 PolarHBondContact O-N 2.89Å; V147-D150 PolarHBondContact O-N 3.06Å; D150-V218 WeakPolarHBondContact O-CG2 3.31Å
151L97.4Very high96.7Very high8 Ų838.3 Ų38.34%0.04221%0.213CC..  trans-82.8123.8174.8-176.970.5000109.2A146 L149 L155 V156 F159 V218 L222A146-L151 HydrophobicContact CB-CB 4.13Å; A146-L151 HydrophobicContact CB-CD2 4.37Å; A146-L151 PolarHBondContact O-N 2.8Å; L149-L151 HydrophobicContact CB-CB 4.47Å; L149-L151 PolarHBondContact O-N 2.85Å; L151-L155 HydrophobicContact CD1-CB 3.92Å; L151-L155 HydrophobicContact CD1-CD1 4.19Å; L151-L155 HydrophobicContact CG-CB 4.19Å; L151-V156 HydrophobicContact CD2-CG2 4.48Å; L151-F159 HydrophobicContact CD1-CE2 4.27Å; L151-F159 HydrophobicContact CD2-CD2 3.75Å; L151-F159 HydrophobicContact CD2-CE2 3.94Å; L151-V218 HydrophobicContact CB-CG1 4.14Å; L151-V218 HydrophobicContact CD1-CB 4.32Å; L151-V218 HydrophobicContact CD1-CG1 4.03Å; L151-L222 HydrophobicContact CD1-CD1 4.2Å; L151-L222 HydrophobicContact CD2-CD1 4.36Å
152P95.9Very high96.6Very high40 Ų4038.9 Ų38.926%0.2622%0.216SC..  trans-59.1142.8178.4-28.136.9000114.1D154 L155 V156 N216P152-D154 WeakPolarHBondContact CB-OD1 3.49Å; P152-D154 PolarHBondContact O-N 2.88Å; P152-D154 VanDerWaalsContact O-N 3.11Å; P152-L155 WeakPolarHBondContact O-CA 3.43Å; P152-L155 WeakPolarHBondContact O-CB 3.42Å; P152-L155 PolarHBondContact O-N 2.92Å; P152-V156 PolarHBondContact O-N 3.07Å; P152-N216 VanDerWaalsContact CG-ND2 3.29Å; P152-N216 WeakPolarHBondContact CG-ND2 3.39Å
153D92.1Very high96.5Very high114 Ų11438.1 Ų38.161%0.6121%0.212SC*.Hα-helixtrans-52.3-35.5-180-61.4-10.2000113.2L155 V156D153-L155 PolarHBondContact O-N 2.86Å; D153-V156 PolarHBondContact O-N 3.4Å
154D92Very high96.4Very high81 Ų8136 Ų3643%0.43320%0.2SC..Hα-helixtrans-71.3-16.4179.469-33.8000114P152P152-D154 WeakPolarHBondContact CB-OD1 3.49Å; P152-D154 PolarHBondContact O-N 2.88Å; P152-D154 VanDerWaalsContact O-N 3.11Å
155L95.6Very high96.3Very high8 Ų839.1 Ų39.14%0.04221%0.206CC..Hα-helixtrans-98.9-15.3175.6-62.4-173.2000113.8L151 P152 D153 G157 Y158 F159 N216L151-L155 HydrophobicContact CD1-CB 3.92Å; L151-L155 HydrophobicContact CD1-CD1 4.19Å; L151-L155 HydrophobicContact CG-CB 4.19Å; P152-L155 WeakPolarHBondContact O-CA 3.43Å; P152-L155 WeakPolarHBondContact O-CB 3.42Å; P152-L155 PolarHBondContact O-N 2.92Å; D153-L155 PolarHBondContact O-N 2.86Å; L155-G157 VanDerWaalsContact C-N 3.27Å; L155-G157 PolarHBondContact O-N 3.14Å; L155-Y158 HydrophobicContact CD2-CD2 4.14Å; L155-Y158 HydrophobicContact CD2-CE2 4.02Å; L155-Y158 WeakPolarHBondContact O-CB 3.44Å; L155-Y158 WeakPolarHBondContact O-CD2 3.25Å; L155-Y158 PolarHBondContact O-N 2.82Å; L155-F159 WeakPolarHBondContact O-CD2 3.35Å; L155-N216 HydrophobicContact CD1-CB 3.37Å
156V95.4Very high96Very high3 Ų342.8 Ų42.82%0.01822%0.223CC..Hα-helixtrans-54.7-44.8-177.3177.50000111.7L142 A146 L151 P152 D153 Y158 F159L142-V156 HydrophobicContact CD2-CG1 3.89Å; L142-V156 HydrophobicContact CG-CG1 3.79Å; A146-V156 HydrophobicContact CB-CG1 4.45Å; A146-V156 HydrophobicContact CB-CG2 3.55Å; L151-V156 HydrophobicContact CD2-CG2 4.48Å; P152-V156 PolarHBondContact O-N 3.07Å; D153-V156 PolarHBondContact O-N 3.4Å; V156-Y158 PolarHBondContact O-N 3.26Å; V156-F159 PolarHBondContact O-N 3.4Å
157G93.3Very high95.5Very high17 Ų1743.5 Ų43.518%0.17523%0.231CC..THydrogen-bonded Turntrans-61.8-15.9-179.800000114.8L155 F159 L396L155-G157 VanDerWaalsContact C-N 3.27Å; L155-G157 PolarHBondContact O-N 3.14Å; G157-F159 PolarHBondContact O-N 2.77Å; G157-L396 WeakPolarHBondContact O-CB 3.46Å; G157-L396 WeakPolarHBondContact O-CD2 3.14Å
158Y96.4Very high94.8Very high1 Ų145.8 Ų45.80%0.00425%0.245CC..THydrogen-bonded Turntrans-76-14.6174.8-70.8-99.6000112.7L155 V156 S203 Y204 Y209 D212 V213 K393 L396L155-Y158 HydrophobicContact CD2-CD2 4.14Å; L155-Y158 HydrophobicContact CD2-CE2 4.02Å; L155-Y158 WeakPolarHBondContact O-CB 3.44Å; L155-Y158 WeakPolarHBondContact O-CD2 3.25Å; L155-Y158 PolarHBondContact O-N 2.82Å; V156-Y158 PolarHBondContact O-N 3.26Å; Y158-S203 PolarHBondContact O-N 3.01Å; Y158-S203 PolarHBondContact O-OG 2.85Å; Y158-S203 VanDerWaalsContact O-OG 3.13Å; Y158-Y204 AromaticContact CD1-CD1 3.69Å; Y158-Y204 HydrophobicContact CD1-CD1 3.69Å; Y158-Y204 AromaticContact CD1-CE1 3.64Å; Y158-Y204 HydrophobicContact CD1-CE1 3.64Å; Y158-Y204 HydrophobicContact CD1-CG 4.49Å; Y158-Y204 HydrophobicContact CG-CD1 4.33Å; Y158-Y204 HydrophobicContact CG-CE1 4.24Å; Y158-Y204 WeakPolarHBondContact O-CD1 3.4Å; Y158-Y209 HydrophobicContact CE1-CG 4.49Å; Y158-D212 HydrophobicContact CE1-CB 4.1Å; Y158-D212 WeakPolarHBondContact OH-CB 3.2Å; Y158-D212 VanDerWaalsContact OH-CG 3.27Å; Y158-D212 PolarHBondContact OH-OD2 2.94Å; Y158-V213 HydrophobicContact CD1-CG2 3.49Å; Y158-V213 VanDerWaalsContact CD1-CG2 3.49Å; Y158-V213 HydrophobicContact CD2-CG2 4.35Å; Y158-V213 HydrophobicContact CE1-CG2 4.02Å; Y158-V213 HydrophobicContact CG-CG2 3.66Å; Y158-K393 WeakPolarHBondContact OH-CE 3.5Å; Y158-K393 WeakPolarHBondContact OH-CG 3.36Å; Y158-L396 HydrophobicContact CD1-CD1 4Å; Y158-L396 HydrophobicContact CD2-CD1 4.26Å; Y158-L396 HydrophobicContact CE1-CD1 4.19Å; Y158-L396 HydrophobicContact CE2-CD1 4.44Å; Y158-L396 HydrophobicContact CG-CD1 4.06Å
159F97.4Very high94Very high3 Ų344.7 Ų44.71%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-112163.7-178.3-62.1-90.9000111.6L151 L155 V156 G157 L200 R201 K202 S203 V213 L222L151-F159 HydrophobicContact CD1-CE2 4.27Å; L151-F159 HydrophobicContact CD2-CD2 3.75Å; L151-F159 HydrophobicContact CD2-CE2 3.94Å; L155-F159 WeakPolarHBondContact O-CD2 3.35Å; V156-F159 PolarHBondContact O-N 3.4Å; G157-F159 PolarHBondContact O-N 2.77Å; F159-L200 HydrophobicContact CB-CD1 3.72Å; F159-L200 HydrophobicContact CB-CG 4.31Å; F159-L200 HydrophobicContact CD1-CG 4.37Å; F159-L200 HydrophobicContact CG-CD1 4.46Å; F159-R201 CarbonylContact C-O 3.56Å; F159-R201 WeakPolarHBondContact CA-O 3.17Å; F159-K202 HydrophobicContact CD1-CB 4.48Å; F159-K202 HydrophobicContact CE1-CB 4.36Å; F159-S203 PolarHBondContact O-OG 2.89Å; F159-V213 HydrophobicContact CE2-CG1 4.15Å; F159-V213 HydrophobicContact CZ-CG1 3.89Å; F159-L222 HydrophobicContact CD1-CD1 4.46Å; F159-L222 HydrophobicContact CE1-CB 3.81Å; F159-L222 HydrophobicContact CE1-CD1 3.86Å; F159-L222 HydrophobicContact CE1-CG 4.45Å; F159-L222 HydrophobicContact CE2-CD1 4.18Å; F159-L222 HydrophobicContact CZ-CB 3.9Å; F159-L222 HydrophobicContact CZ-CD1 3.69Å; F159-L222 HydrophobicContact CZ-CG 4.46Å
160S97.3Very high93.1Very high12 Ų1244.2 Ų44.28%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-150162173.1-66.40000110.4F162 K177 R201 S203S160-F162 WeakPolarHBondContact O-CD2 3.35Å; S160-F162 WeakPolarHBondContact O-CE2 3.17Å; S160-K177 WeakPolarHBondContact OG-CE 3.21Å; S160-K177 PolarHBondContact OG-NZ 3.31Å; S160-R201 PolarHBondContact N-O 2.81Å; S160-R201 PolarHBondContact O-N 3.32Å; S160-S203 WeakPolarHBondContact OG-CB 3.31Å; S160-S203 PolarHBondContact OG-OG 3.24Å; S160-S203 VanDerWaalsContact OG-OG 3.05Å
161L98.1Very high92.6Very high1 Ų141.3 Ų41.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-91.7133.5173.3-57.9-178.7000110.5I120 T138 V141 L142 L178 I198 I199 L200I120-L161 HydrophobicContact CG2-CD2 3.96Å; T138-L161 HydrophobicContact CG2-CB 4.4Å; T138-L161 HydrophobicContact CG2-CD1 4.32Å; V141-L161 HydrophobicContact CB-CD1 4.01Å; V141-L161 HydrophobicContact CG1-CD1 3.76Å; L142-L161 HydrophobicContact CB-CD1 4.25Å; L142-L161 HydrophobicContact CB-CG 4.3Å; L142-L161 HydrophobicContact CD1-CD2 4.15Å; L142-L161 HydrophobicContact CD1-CG 4.24Å; L161-L178 HydrophobicContact CB-CB 4.36Å; L161-L178 HydrophobicContact CB-CD1 3.96Å; L161-L178 HydrophobicContact CB-CG 4.4Å; L161-L178 PolarHBondContact O-N 2.94Å; L161-I198 HydrophobicContact CB-CG2 3.92Å; L161-I198 HydrophobicContact CD1-CG2 4.34Å; L161-I198 HydrophobicContact CD2-CG2 4.09Å; L161-I198 HydrophobicContact CG-CG2 4.34Å; L161-I199 WeakPolarHBondContact CA-O 3.41Å; L161-L200 HydrophobicContact CD2-CB 4.4Å; L161-L200 HydrophobicContact CD2-CD1 3.95Å
162F97.3Very high92.3Very high12 Ų1241.9 Ų41.95%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-123.7133.6178.3-62.6-95.5000109.5S160 V164 F174 R176 K177 I198 I199 R201 M371S160-F162 WeakPolarHBondContact O-CD2 3.35Å; S160-F162 WeakPolarHBondContact O-CE2 3.17Å; F162-V164 HydrophobicContact CB-CG1 4.32Å; F162-F174 HydrophobicContact CB-CD1 3.92Å; F162-F174 HydrophobicContact CB-CE1 3.94Å; F162-F174 HydrophobicContact CD1-CD1 4.04Å; F162-F174 HydrophobicContact CD1-CE1 4.34Å; F162-F174 HydrophobicContact CG-CD1 4.08Å; F162-F174 HydrophobicContact CG-CE1 4.02Å; F162-R176 WeakPolarHBondContact CA-O 3.45Å; F162-K177 HydrophobicContact CD1-CB 3.76Å; F162-K177 HydrophobicContact CD1-CG 4.25Å; F162-K177 HydrophobicContact CE1-CB 3.63Å; F162-K177 HydrophobicContact CE1-CD 4.12Å; F162-K177 HydrophobicContact CE1-CG 3.91Å; F162-K177 HydrophobicContact CZ-CB 4.49Å; F162-K177 HydrophobicContact CZ-CD 4.24Å; F162-K177 HydrophobicContact CZ-CG 4.31Å; F162-I198 CarbonylContact O-C 3.57Å; F162-I198 WeakPolarHBondContact O-CA 3.44Å; F162-I199 PolarHBondContact N-O 3.49Å; F162-I199 PolarHBondContact O-N 3.37Å; F162-R201 HydrophobicContact CD2-CB 3.79Å; F162-R201 HydrophobicContact CE2-CB 3.73Å; F162-M371 HydrophobicContact CD1-CE 3.78Å; F162-M371 HydrophobicContact CE1-CE 3.75Å
163L96.2Very high92.2Very high4 Ų441.3 Ų41.32%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-79.9123.3165.5179.367.6000108V175 R176 L178 L191 Y196L163-V175 HydrophobicContact CD2-CB 4.32Å; L163-V175 HydrophobicContact CD2-CG1 4.24Å; L163-V175 HydrophobicContact CG-CB 4.27Å; L163-V175 HydrophobicContact CG-CG2 4.49Å; L163-V175 WeakPolarHBondContact O-CB 3.07Å; L163-V175 PolarHBondContact O-N 2.91Å; L163-R176 HydrophobicContact CB-CG 4.28Å; L163-R176 HydrophobicContact CD2-CG 4.47Å; L163-R176 PolarHBondContact N-O 3.11Å; L163-R176 PolarHBondContact O-N 3.36Å; L163-L178 HydrophobicContact CB-CD2 4.08Å; L163-L191 HydrophobicContact CD1-CD1 3.94Å; L163-L191 HydrophobicContact CD2-CD1 3.82Å; L163-L191 HydrophobicContact CG-CD1 4.41Å; L163-Y196 HydrophobicContact CD1-CD1 4.33Å; L163-Y196 HydrophobicContact CG-CD1 4.49Å
164V95.5Very high92.3Very high0 Ų036.1 Ų36.10%021%0.205CC..EExtended strand (participates in β ladder)trans-123.9156.3177.5-54.50000110.2F162 L172 T173 F174 Y196 H197 I199F162-V164 HydrophobicContact CB-CG1 4.32Å; V164-L172 HydrophobicContact CG2-CD2 4.2Å; V164-T173 CarbonylContact C-O 3.57Å; V164-T173 VanDerWaalsContact CA-O 3.3Å; V164-T173 WeakPolarHBondContact CA-O 3.39Å; V164-F174 HydrophobicContact CG1-CD1 3.73Å; V164-F174 HydrophobicContact CG1-CD2 4.18Å; V164-F174 HydrophobicContact CG1-CE1 3.8Å; V164-F174 HydrophobicContact CG1-CE2 4.25Å; V164-F174 HydrophobicContact CG1-CG 3.94Å; V164-F174 HydrophobicContact CG1-CZ 4.07Å; V164-Y196 VanDerWaalsContact O-CA 3.29Å; V164-Y196 WeakPolarHBondContact O-CA 3.38Å; V164-H197 HydrophobicContact CG2-CB 3.91Å; V164-H197 WeakPolarHBondContact CG2-O 3.28Å; V164-H197 PolarHBondContact N-O 3.3Å; V164-H197 PolarHBondContact O-N 2.9Å; V164-I199 HydrophobicContact CB-CD1 4.32Å; V164-I199 HydrophobicContact CG1-CB 4.36Å; V164-I199 HydrophobicContact CG1-CD1 4.01Å; V164-I199 HydrophobicContact CG1-CG1 4.33Å; V164-I199 HydrophobicContact CG2-CD1 3.48Å; V164-I199 VanDerWaalsContact CG2-CD1 3.48Å; V164-I199 HydrophobicContact CG2-CG1 3.75Å
165R94.4Very high92.3Very high95 Ų9534.2 Ų34.236%0.35820%0.196SC..EExtended strand (participates in β ladder)trans-113.8130168.8-172.6-178178.9-116.1-11108.9T173 V175 D195 Y196R165-T173 PolarHBondContact N-O 3.31Å; R165-T173 PolarHBondContact O-N 3.42Å; R165-V175 HydrophobicContact CB-CG2 4.17Å; R165-D195 CarbonylContact C-O 3.4Å; R165-D195 WeakPolarHBondContact CA-O 3.35Å; R165-D195 HydrophobicContact CG-CB 4.01Å; R165-D195 IonicContact CZ-OD2 2.73Å; R165-D195 IonicContact NE-OD2 2.91Å; R165-D195 IonicContact NH2-OD2 3.65Å; R165-D195 PolarHBondContact NH2-OD2 3.33Å; R165-Y196 HydrophobicContact CB-CD1 3.85Å; R165-Y196 HydrophobicContact CB-CE1 3.69Å; R165-Y196 HydrophobicContact CG-CD1 4.18Å; R165-Y196 HydrophobicContact CG-CE1 3.88Å; R165-Y196 HydrophobicContact CG-CE2 4.45Å
166E92.5Very high92.2Very high77 Ų7734.6 Ų34.636%0.3620%0.197SC..EExtended strand (participates in β ladder)trans-89.4123.5170.7-171.4165.7-167.600109.7L172 D195 H197E166-L172 HydrophobicContact CB-CD2 3.93Å; E166-L172 HydrophobicContact CG-CD2 4.13Å; E166-D195 PolarHBondContact N-O 2.9Å; E166-H197 IonicContact OE2-CD2 2.67Å; E166-H197 IonicContact OE2-NE2 2.66Å; E166-H197 PolarHBondContact OE2-NE2 3.16Å
167G87.4Confident92.1Very high19 Ų1935.5 Ų35.520%0.19620%0.2CC..  trans-77.3166.6173.900000112.3D169 G170 N171G167-D169 PolarHBondContact O-N 3.1Å; G167-D169 VanDerWaalsContact O-N 3.16Å; G167-G170 PolarHBondContact O-N 3.07Å; G167-N171 PolarHBondContact N-O 3.31Å
168V82.6Confident92.2Very high160 Ų16034.8 Ų34.897%0.9719%0.192SC*.THydrogen-bonded Turntrans-61.8-24.4178.3-173.80000112.2G170V168-G170 VanDerWaalsContact C-N 3.33Å
169D80.4Confident91.9Very high115 Ų11535.9 Ų35.962%0.61520%0.198SC*.THydrogen-bonded Turntrans-86.22.1176.359.3-7.6000113.7G167 N171G167-D169 PolarHBondContact O-N 3.1Å; G167-D169 VanDerWaalsContact O-N 3.16Å; D169-N171 VanDerWaalsContact C-N 3.26Å; D169-N171 VanDerWaalsContact CG-ND2 3.3Å; D169-N171 PolarHBondContact O-N 3.36Å; D169-N171 WeakPolarHBondContact OD1-CB 3.4Å; D169-N171 PolarHBondContact OD1-N 2.93Å; D169-N171 PolarHBondContact OD2-ND2 3.18Å
170G80.5Confident91.6Very high26 Ų2638.3 Ų38.327%0.26821%0.211SC..SBendtrans77.66.1-176.900000114.3G167 V168 R233G167-G170 PolarHBondContact O-N 3.07Å; V168-G170 VanDerWaalsContact C-N 3.33Å; G170-R233 PolarHBondContact O-NH1 2.98Å
171N86.6Confident91.2Very high72 Ų7237.8 Ų37.839%0.38521%0.207SC..  trans-74.5140.9174.5-75.9-39.7000110.7G167 D169G167-N171 PolarHBondContact N-O 3.31Å; D169-N171 VanDerWaalsContact C-N 3.26Å; D169-N171 VanDerWaalsContact CG-ND2 3.3Å; D169-N171 PolarHBondContact O-N 3.36Å; D169-N171 WeakPolarHBondContact OD1-CB 3.4Å; D169-N171 PolarHBondContact OD1-N 2.93Å; D169-N171 PolarHBondContact OD2-ND2 3.18Å
172L91.6Very high91.1Very high20 Ų2037.8 Ų37.811%0.10521%0.207CC..EExtended strand (participates in β ladder)trans-100116.6179.5-67.2177.8000110.4V164 E166 F174 I199 R233V164-L172 HydrophobicContact CG2-CD2 4.2Å; E166-L172 HydrophobicContact CB-CD2 3.93Å; E166-L172 HydrophobicContact CG-CD2 4.13Å; L172-F174 HydrophobicContact CB-CE2 4.48Å; L172-I199 HydrophobicContact CD1-CD1 3.63Å; L172-R233 VanDerWaalsContact CD1-NH2 3.27Å
173T94.3Very high91Very high28 Ų2837.3 Ų37.317%0.17221%0.205CC..EExtended strand (participates in β ladder)trans-92.1114.1170.4-58.80000109V164 R165 V175 D274 Q368V164-T173 CarbonylContact C-O 3.57Å; V164-T173 VanDerWaalsContact CA-O 3.3Å; V164-T173 WeakPolarHBondContact CA-O 3.39Å; R165-T173 PolarHBondContact N-O 3.31Å; R165-T173 PolarHBondContact O-N 3.42Å; T173-V175 PolarHBondContact O-N 3.35Å; T173-D274 WeakPolarHBondContact CB-OD2 3.44Å; T173-D274 WeakPolarHBondContact CG2-OD2 3.35Å; T173-D274 PolarHBondContact OG1-OD2 2.68Å; T173-Q368 HydrophobicContact CG2-CG 4.07Å
174F94.3Very high91.1Very high5 Ų537.1 Ų37.12%0.02220%0.204CC..EExtended strand (participates in β ladder)trans-74.4109.2174.3-79.9-106.8000110.3F162 V164 L172 W235 L271 Q368 M371F162-F174 HydrophobicContact CB-CD1 3.92Å; F162-F174 HydrophobicContact CB-CE1 3.94Å; F162-F174 HydrophobicContact CD1-CD1 4.04Å; F162-F174 HydrophobicContact CD1-CE1 4.34Å; F162-F174 HydrophobicContact CG-CD1 4.08Å; F162-F174 HydrophobicContact CG-CE1 4.02Å; V164-F174 HydrophobicContact CG1-CD1 3.73Å; V164-F174 HydrophobicContact CG1-CD2 4.18Å; V164-F174 HydrophobicContact CG1-CE1 3.8Å; V164-F174 HydrophobicContact CG1-CE2 4.25Å; V164-F174 HydrophobicContact CG1-CG 3.94Å; V164-F174 HydrophobicContact CG1-CZ 4.07Å; L172-F174 HydrophobicContact CB-CE2 4.48Å; F174-W235 AromaticContact CD2-CH2 3.55Å; F174-W235 HydrophobicContact CD2-CH2 3.55Å; F174-W235 HydrophobicContact CD2-CZ2 4.3Å; F174-W235 HydrophobicContact CD2-CZ3 4.47Å; F174-W235 AromaticContact CE2-CH2 3.41Å; F174-W235 HydrophobicContact CE2-CH2 3.41Å; F174-W235 VanDerWaalsContact CE2-CH2 3.41Å; F174-W235 HydrophobicContact CE2-CZ2 4.21Å; F174-W235 HydrophobicContact CE2-CZ3 4.09Å; F174-W235 HydrophobicContact CZ-CH2 4.42Å; F174-L271 HydrophobicContact CB-CD2 4.41Å; F174-L271 HydrophobicContact CD1-CD1 4.04Å; F174-L271 HydrophobicContact CE1-CD1 4.42Å; F174-L271 HydrophobicContact CG-CD1 4.19Å; F174-Q368 PolarHBondContact O-NE2 3.25Å; F174-M371 HydrophobicContact CB-CE 4.32Å; F174-M371 HydrophobicContact CB-CG 4.35Å; F174-M371 HydrophobicContact CD1-CE 4.4Å
175V92.3Very high91.2Very high41 Ų4139.7 Ų39.725%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-75.6-52.3-178.2-176.40000109.6L163 R165 T173 Y196L163-V175 HydrophobicContact CD2-CB 4.32Å; L163-V175 HydrophobicContact CD2-CG1 4.24Å; L163-V175 HydrophobicContact CG-CB 4.27Å; L163-V175 HydrophobicContact CG-CG2 4.49Å; L163-V175 WeakPolarHBondContact O-CB 3.07Å; L163-V175 PolarHBondContact O-N 2.91Å; R165-V175 HydrophobicContact CB-CG2 4.17Å; T173-V175 PolarHBondContact O-N 3.35Å; V175-Y196 HydrophobicContact CG2-CD1 4.33Å; V175-Y196 HydrophobicContact CG2-CE1 4.03Å
176R92.2Very high91.2Very high16 Ų1635.1 Ų35.16%0.0620%0.197CC..EExtended strand (participates in β ladder)trans-170156.9-179.354.9-166.5-170.574.5-4.1112.3F162 L163 E182 M371F162-R176 WeakPolarHBondContact CA-O 3.45Å; L163-R176 HydrophobicContact CB-CG 4.28Å; L163-R176 HydrophobicContact CD2-CG 4.47Å; L163-R176 PolarHBondContact N-O 3.11Å; L163-R176 PolarHBondContact O-N 3.36Å; R176-E182 IonicContact CZ-OE1 2.99Å; R176-E182 IonicContact CZ-OE2 3.02Å; R176-E182 IonicContact NH1-OE1 3.19Å; R176-E182 PolarHBondContact NH1-OE1 3.23Å; R176-E182 IonicContact NH1-OE2 3.9Å; R176-E182 PolarHBondContact NH1-OE2 3.26Å; R176-E182 IonicContact NH2-OE2 3.88Å; R176-E182 PolarHBondContact NH2-OE2 2.96Å; R176-M371 VanDerWaalsContact CA-SD 3.55Å
177K94.3Very high91.3Very high21 Ų2131.7 Ų31.79%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-74.6130162.6-179.4172.3166.3162.70109.3S160 F162 Q179 T374S160-K177 WeakPolarHBondContact OG-CE 3.21Å; S160-K177 PolarHBondContact OG-NZ 3.31Å; F162-K177 HydrophobicContact CD1-CB 3.76Å; F162-K177 HydrophobicContact CD1-CG 4.25Å; F162-K177 HydrophobicContact CE1-CB 3.63Å; F162-K177 HydrophobicContact CE1-CD 4.12Å; F162-K177 HydrophobicContact CE1-CG 3.91Å; F162-K177 HydrophobicContact CZ-CB 4.49Å; F162-K177 HydrophobicContact CZ-CD 4.24Å; F162-K177 HydrophobicContact CZ-CG 4.31Å; K177-Q179 PolarHBondContact O-NE2 3.17Å; K177-T374 HydrophobicContact CB-CG2 4.24Å
178L94.3Very high91.7Very high2 Ų232.1 Ų32.11%0.0118%0.179CC..PPolyproline II helixtrans-67.9136.1173.8-63-176000109.8T138 L161 L163 P184 I198T138-L178 HydrophobicContact CG2-CB 3.76Å; L161-L178 HydrophobicContact CB-CB 4.36Å; L161-L178 HydrophobicContact CB-CD1 3.96Å; L161-L178 HydrophobicContact CB-CG 4.4Å; L161-L178 PolarHBondContact O-N 2.94Å; L163-L178 HydrophobicContact CB-CD2 4.08Å; L178-P184 HydrophobicContact CD1-CB 3.81Å; L178-P184 HydrophobicContact CD1-CG 4.03Å; L178-I198 HydrophobicContact CD1-CD1 4.2Å; L178-I198 HydrophobicContact CD1-CG1 4.25Å; L178-I198 HydrophobicContact CD1-CG2 4.23Å
179Q91.2Very high92.2Very high25 Ų2527.4 Ų27.412%0.11715%0.15CC..PPolyproline II helixtrans-99.7158.8-175.5-51.6-67.2-47.900111M1 T138 K177 F181 E182M1-Q179 HydrophobicContact CE-CB 3.79Å; M1-Q179 HydrophobicContact CE-CG 3.3Å; T138-Q179 VanDerWaalsContact CB-O 3.31Å; T138-Q179 WeakPolarHBondContact CB-O 3.47Å; T138-Q179 PolarHBondContact OG1-O 3.12Å; K177-Q179 PolarHBondContact O-NE2 3.17Å; Q179-F181 HydrophobicContact CB-CD1 4.21Å; Q179-F181 HydrophobicContact CB-CE1 3.78Å; Q179-F181 HydrophobicContact CB-CE2 4.44Å; Q179-F181 HydrophobicContact CB-CZ 3.89Å; Q179-F181 HydrophobicContact CG-CE1 4.41Å; Q179-F181 HydrophobicContact CG-CZ 4.25Å; Q179-F181 PolarHBondContact O-N 3.48Å; Q179-F181 VanDerWaalsContact O-N 3.11Å; Q179-E182 HydrophobicContact CB-CG 4.09Å; Q179-E182 WeakPolarHBondContact CB-OE1 3.39Å; Q179-E182 WeakPolarHBondContact CG-OE1 3.37Å; Q179-E182 PolarHBondContact N-OE1 3.43Å; Q179-E182 WeakPolarHBondContact O-CB 3.21Å; Q179-E182 PolarHBondContact O-N 3.48Å
180D89.4Confident92.6Very high53 Ų5323.9 Ų23.928%0.28314%0.135SC..THydrogen-bonded Turntrans-62.4-25.7-170.8-45.9-23.3000113.3Q137Q137-D180 PolarHBondContact OE1-O 3.18Å
181F90.3Very high93.1Very high1 Ų125.1 Ų25.10%0.00414%0.135CC..THydrogen-bonded Turntrans-89.34.3175.162-100.8000114.4M1 F3 V26 H31 N98 L101 R102 Q179M1-F181 HydrophobicContact CE-CE1 3.44Å; M1-F181 VanDerWaalsContact CE-CE1 3.44Å; M1-F181 HydrophobicContact CE-CZ 3.75Å; M1-F181 HydrophobicContact SD-CE1 3.25Å; M1-F181 WeakPolarHBondContact SD-CE1 3.48Å; M1-F181 HydrophobicContact SD-CZ 3.31Å; M1-F181 WeakPolarHBondContact SD-CZ 2.78Å; F3-F181 HydrophobicContact CZ-CZ 4.21Å; V26-F181 HydrophobicContact CG1-CE2 4.23Å; V26-F181 HydrophobicContact CG1-CZ 3.88Å; V26-F181 HydrophobicContact CG2-CE2 4.29Å; V26-F181 HydrophobicContact CG2-CZ 4.49Å; H31-F181 AromaticContact CE1-CD2 3.86Å; H31-F181 AromaticContact CE1-CE2 3.92Å; N98-F181 HydrophobicContact CB-CB 3.84Å; L101-F181 HydrophobicContact CB-CB 4.28Å; L101-F181 HydrophobicContact CB-CD2 4.02Å; L101-F181 HydrophobicContact CB-CG 4.33Å; L101-F181 HydrophobicContact CD1-CB 4.32Å; L101-F181 HydrophobicContact CD1-CD1 4.16Å; L101-F181 HydrophobicContact CD1-CD2 3.78Å; L101-F181 HydrophobicContact CD1-CE1 4.45Å; L101-F181 HydrophobicContact CD1-CE2 4.15Å; L101-F181 HydrophobicContact CD1-CG 3.81Å; L101-F181 HydrophobicContact CD1-CZ 4.47Å; R102-F181 WeakPolarHBondContact CG-O 3.3Å; Q179-F181 HydrophobicContact CB-CD1 4.21Å; Q179-F181 HydrophobicContact CB-CE1 3.78Å; Q179-F181 HydrophobicContact CB-CE2 4.44Å; Q179-F181 HydrophobicContact CB-CZ 3.89Å; Q179-F181 HydrophobicContact CG-CE1 4.41Å; Q179-F181 HydrophobicContact CG-CZ 4.25Å; Q179-F181 PolarHBondContact O-N 3.48Å; Q179-F181 VanDerWaalsContact O-N 3.11Å
182E94.6Very high93.2Very high2 Ų230.3 Ų30.31%0.00916%0.157CC..  trans-91.5151.9178.1-62.7-171.5-110.600111.4Q137 T138 R176 Q179 P184 S187Q137-E182 CarbonylContact C-O 3.46Å; Q137-E182 WeakPolarHBondContact CA-O 3.33Å; T138-E182 PolarHBondContact N-O 3.11Å; T138-E182 PolarHBondContact OG1-O 3.12Å; R176-E182 IonicContact CZ-OE1 2.99Å; R176-E182 IonicContact CZ-OE2 3.02Å; R176-E182 IonicContact NH1-OE1 3.19Å; R176-E182 PolarHBondContact NH1-OE1 3.23Å; R176-E182 IonicContact NH1-OE2 3.9Å; R176-E182 PolarHBondContact NH1-OE2 3.26Å; R176-E182 IonicContact NH2-OE2 3.88Å; R176-E182 PolarHBondContact NH2-OE2 2.96Å; Q179-E182 HydrophobicContact CB-CG 4.09Å; Q179-E182 WeakPolarHBondContact CB-OE1 3.39Å; Q179-E182 WeakPolarHBondContact CG-OE1 3.37Å; Q179-E182 PolarHBondContact N-OE1 3.43Å; Q179-E182 WeakPolarHBondContact O-CB 3.21Å; Q179-E182 PolarHBondContact O-N 3.48Å; E182-P184 WeakPolarHBondContact O-CD 3.45Å; E182-S187 PolarHBondContact OE2-OG 2.95Å
183L97Very high93.2Very high2 Ų231.4 Ų31.41%0.0117%0.166CC..  trans-99.3105.3170.8-56.2-178.5000108.1R102 Q106 S135 D136 Y185 V186 S187R102-L183 HydrophobicContact CB-CD2 4.04Å; R102-L183 HydrophobicContact CB-CG 4.3Å; R102-L183 HydrophobicContact CG-CD2 3.84Å; R102-L183 HydrophobicContact CG-CG 4.29Å; R102-L183 WeakPolarHBondContact O-CD1 3.49Å; Q106-L183 HydrophobicContact CB-CD1 3.82Å; Q106-L183 HydrophobicContact CG-CD1 4.43Å; S135-L183 WeakPolarHBondContact O-CD2 3.47Å; D136-L183 WeakPolarHBondContact O-CD2 3.43Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 3.09Å; L183-V186 HydrophobicContact CB-CB 3.89Å; L183-V186 HydrophobicContact CB-CG2 3.75Å; L183-V186 HydrophobicContact CD1-CG2 3.85Å; L183-V186 HydrophobicContact CG-CG2 4.47Å; L183-V186 PolarHBondContact O-N 2.89Å; L183-S187 WeakPolarHBondContact O-CB 3.31Å; L183-S187 PolarHBondContact O-N 3.38Å; L183-S187 PolarHBondContact O-OG 3.08Å
184P97.3Very high93Very high0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-58.4-40.5-174.1-28.538000113.2L118 D136 V141 L178 E182 S187 I188 I198L118-P184 HydrophobicContact CD2-CB 4.13Å; D136-P184 VanDerWaalsContact O-CD 3.24Å; D136-P184 WeakPolarHBondContact O-CD 3.47Å; V141-P184 HydrophobicContact CB-CB 4.48Å; V141-P184 HydrophobicContact CB-CG 4Å; V141-P184 HydrophobicContact CG1-CB 4.39Å; V141-P184 HydrophobicContact CG1-CG 4.41Å; V141-P184 HydrophobicContact CG2-CB 4.14Å; V141-P184 HydrophobicContact CG2-CG 3.7Å; L178-P184 HydrophobicContact CD1-CB 3.81Å; L178-P184 HydrophobicContact CD1-CG 4.03Å; E182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-S187 PolarHBondContact O-N 2.82Å; P184-I188 WeakPolarHBondContact O-CG2 3.32Å; P184-I188 PolarHBondContact O-N 3.05Å; P184-I188 VanDerWaalsContact O-N 3.08Å; P184-I198 HydrophobicContact CB-CD1 3.82Å
185Y97.1Very high93Very high53 Ų5337.4 Ų37.421%0.20821%0.205CC..Hα-helixtrans-60.4-47.4177.6-174-88.6000112.3I111 A116 L118 I132 T134 L183 S187 I188 T189I111-Y185 HydrophobicContact CG2-CD1 4.42Å; I111-Y185 HydrophobicContact CG2-CE1 4.29Å; A116-Y185 HydrophobicContact CB-CD2 3.87Å; A116-Y185 HydrophobicContact CB-CE2 3.51Å; L118-Y185 HydrophobicContact CD1-CD2 4.36Å; I132-Y185 HydrophobicContact CD1-CD2 4.36Å; T134-Y185 HydrophobicContact CG2-CD1 3.53Å; T134-Y185 HydrophobicContact CG2-CD2 4.5Å; T134-Y185 HydrophobicContact CG2-CE1 3.48Å; T134-Y185 VanDerWaalsContact CG2-CE1 3.48Å; T134-Y185 HydrophobicContact CG2-CE2 4.46Å; T134-Y185 HydrophobicContact CG2-CG 4.07Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 3.09Å; Y185-S187 VanDerWaalsContact C-N 3.34Å; Y185-I188 WeakPolarHBondContact O-CG2 3.44Å; Y185-T189 VanDerWaalsContact O-CB 3.23Å; Y185-T189 WeakPolarHBondContact O-CB 3.47Å; Y185-T189 PolarHBondContact O-N 3.35Å; Y185-T189 PolarHBondContact O-OG1 2.92Å
186V95.8Very high93.1Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-65.7-41.6177.8-179.20000110.5Q105 Q109 I111 L183 I188 T189 S190Q105-V186 HydrophobicContact CG-CG1 3.9Å; Q109-V186 HydrophobicContact CB-CG1 3.82Å; Q109-V186 HydrophobicContact CG-CG1 3.46Å; Q109-V186 VanDerWaalsContact CG-CG1 3.46Å; I111-V186 HydrophobicContact CB-CG2 4.47Å; I111-V186 HydrophobicContact CD1-CB 4.34Å; I111-V186 HydrophobicContact CD1-CG1 4.12Å; I111-V186 HydrophobicContact CD1-CG2 4.16Å; I111-V186 HydrophobicContact CG2-CG2 4.49Å; L183-V186 HydrophobicContact CB-CB 3.89Å; L183-V186 HydrophobicContact CB-CG2 3.75Å; L183-V186 HydrophobicContact CD1-CG2 3.85Å; L183-V186 HydrophobicContact CG-CG2 4.47Å; L183-V186 PolarHBondContact O-N 2.89Å; V186-I188 PolarHBondContact O-N 2.68Å; V186-T189 PolarHBondContact O-N 2.91Å; V186-S190 VanDerWaalsContact O-CB 3.24Å; V186-S190 WeakPolarHBondContact O-CB 3.1Å; V186-S190 PolarHBondContact O-N 2.97Å; V186-S190 PolarHBondContact O-OG 3.12Å
187S94.7Very high93.3Very high4 Ų438.9 Ų38.93%0.02821%0.208CC..Hα-helixtrans-59.8-45-177.9-60.30000112.3Q105 E182 L183 P184 Y185 S190Q105-S187 PolarHBondContact NE2-OG 3.09Å; Q105-S187 VanDerWaalsContact NE2-OG 3.11Å; E182-S187 PolarHBondContact OE2-OG 2.95Å; L183-S187 WeakPolarHBondContact O-CB 3.31Å; L183-S187 PolarHBondContact O-N 3.38Å; L183-S187 PolarHBondContact O-OG 3.08Å; P184-S187 PolarHBondContact O-N 2.82Å; Y185-S187 VanDerWaalsContact C-N 3.34Å; S187-S190 PolarHBondContact O-OG 3.48Å; S187-S190 VanDerWaalsContact O-OG 3.06Å
188I94.8Very high93.5Very high29 Ų2938 Ų3815%0.14920%0.204CC..Hα-helixtrans-76.4-42.7177.8-169165.3000112.1L118 P184 Y185 V186 S190 L191 Y196 I198L118-I188 HydrophobicContact CD1-CG2 4.03Å; P184-I188 WeakPolarHBondContact O-CG2 3.32Å; P184-I188 PolarHBondContact O-N 3.05Å; P184-I188 VanDerWaalsContact O-N 3.08Å; Y185-I188 WeakPolarHBondContact O-CG2 3.44Å; V186-I188 PolarHBondContact O-N 2.68Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.41Å; I188-L191 WeakPolarHBondContact O-CB 3.42Å; I188-L191 PolarHBondContact O-N 3.49Å; I188-Y196 WeakPolarHBondContact CD1-O 3.5Å; I188-I198 HydrophobicContact CB-CD1 4.21Å; I188-I198 HydrophobicContact CB-CG1 4.48Å; I188-I198 HydrophobicContact CD1-CD1 4.39Å; I188-I198 HydrophobicContact CD1-CG1 4.11Å; I188-I198 HydrophobicContact CG2-CD1 4.17Å
189T92.8Very high93.6Very high61 Ų6138.2 Ų38.237%0.37421%0.205SC..Hα-helixtrans-65.5-35.5-176.3-57.60000112.4I111 Y185 V186 L191 Q192I111-T189 HydrophobicContact CD1-CG2 4.17Å; Y185-T189 VanDerWaalsContact O-CB 3.23Å; Y185-T189 WeakPolarHBondContact O-CB 3.47Å; Y185-T189 PolarHBondContact O-N 3.35Å; Y185-T189 PolarHBondContact O-OG1 2.92Å; V186-T189 PolarHBondContact O-N 2.91Å; T189-L191 PolarHBondContact O-N 3.42Å; T189-L191 VanDerWaalsContact O-N 3.15Å; T189-Q192 PolarHBondContact O-N 2.94Å; T189-Q192 VanDerWaalsContact O-N 3.14Å
190S90.2Very high94Very high41 Ų4137.3 Ų37.329%0.28720%0.202SC..THydrogen-bonded Turntrans-62.8-19178.668.10000114.4Q109 V186 S187 I188 Q192Q109-S190 VanDerWaalsContact CD-CB 3.49Å; V186-S190 VanDerWaalsContact O-CB 3.24Å; V186-S190 WeakPolarHBondContact O-CB 3.1Å; V186-S190 PolarHBondContact O-N 2.97Å; V186-S190 PolarHBondContact O-OG 3.12Å; S187-S190 PolarHBondContact O-OG 3.48Å; S187-S190 VanDerWaalsContact O-OG 3.06Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.41Å; S190-Q192 VanDerWaalsContact C-N 3.33Å
191L90.3Very high94.4Very high52 Ų5235.5 Ų35.527%0.27219%0.191SC..THydrogen-bonded Turntrans-79.4-17.4179.3-61.3165.6000112.8L163 I188 T189 S193 Y196L163-L191 HydrophobicContact CD1-CD1 3.94Å; L163-L191 HydrophobicContact CD2-CD1 3.82Å; L163-L191 HydrophobicContact CG-CD1 4.41Å; I188-L191 WeakPolarHBondContact O-CB 3.42Å; I188-L191 PolarHBondContact O-N 3.49Å; T189-L191 PolarHBondContact O-N 3.42Å; T189-L191 VanDerWaalsContact O-N 3.15Å; L191-S193 PolarHBondContact O-N 3.43Å; L191-S193 VanDerWaalsContact O-N 3.08Å; L191-Y196 HydrophobicContact CB-CD2 3.95Å; L191-Y196 HydrophobicContact CB-CE2 4.21Å; L191-Y196 HydrophobicContact CB-CG 4.35Å; L191-Y196 HydrophobicContact CD1-CD1 3.61Å; L191-Y196 HydrophobicContact CD1-CD2 3.94Å; L191-Y196 HydrophobicContact CD1-CE1 4.08Å; L191-Y196 HydrophobicContact CD1-CE2 4.4Å; L191-Y196 HydrophobicContact CD1-CG 3.51Å; L191-Y196 HydrophobicContact CG-CD2 4.47Å; L191-Y196 HydrophobicContact CG-CG 4.48Å
192Q88.6Confident94.7Very high181 Ų18136 Ų3685%0.84619%0.193SC*.  trans49.935.5177.6-58.8-177.8-17.900113.8T189 S190T189-Q192 PolarHBondContact O-N 2.94Å; T189-Q192 VanDerWaalsContact O-N 3.14Å; S190-Q192 VanDerWaalsContact C-N 3.33Å
193S90.9Very high94.7Very high42 Ų4236.7 Ų36.729%0.29420%0.198SC..  trans-142.6135.1-176.9166.20000110.3L191 D195L191-S193 PolarHBondContact O-N 3.43Å; L191-S193 VanDerWaalsContact O-N 3.08Å; S193-D195 PolarHBondContact O-N 3.25Å; S193-D195 WeakPolarHBondContact OG-CB 3.16Å; S193-D195 PolarHBondContact OG-N 2.84Å
194S90.6Very high94.7Very high102 Ų10236.9 Ų36.971%0.71320%0.199SC*.THydrogen-bonded Turntrans-73.5-10.917652.80000113.6Y196 H197S194-Y196 PolarHBondContact O-N 3.07Å; S194-H197 PolarHBondContact O-CE1 2.92Å
195D94.2Very high94.6Very high57 Ų5738.5 Ų38.531%0.30521%0.205SC..THydrogen-bonded Turntrans-70.3-15.4178.8-60.20.1000111.6R165 E166 S193R165-D195 CarbonylContact C-O 3.4Å; R165-D195 WeakPolarHBondContact CA-O 3.35Å; R165-D195 HydrophobicContact CG-CB 4.01Å; R165-D195 IonicContact CZ-OD2 2.73Å; R165-D195 IonicContact NE-OD2 2.91Å; R165-D195 IonicContact NH2-OD2 3.65Å; R165-D195 PolarHBondContact NH2-OD2 3.33Å; E166-D195 PolarHBondContact N-O 2.9Å; S193-D195 PolarHBondContact O-N 3.25Å; S193-D195 WeakPolarHBondContact OG-CB 3.16Å; S193-D195 PolarHBondContact OG-N 2.84Å
196Y95.1Very high94.5Very high54 Ų5438.5 Ų38.521%0.21221%0.208CC..EExtended strand (participates in β ladder)trans-99137.9-175.3-66.1-89.2000111.9L163 V164 R165 V175 I188 L191 S194L163-Y196 HydrophobicContact CD1-CD1 4.33Å; L163-Y196 HydrophobicContact CG-CD1 4.49Å; V164-Y196 VanDerWaalsContact O-CA 3.29Å; V164-Y196 WeakPolarHBondContact O-CA 3.38Å; R165-Y196 HydrophobicContact CB-CD1 3.85Å; R165-Y196 HydrophobicContact CB-CE1 3.69Å; R165-Y196 HydrophobicContact CG-CD1 4.18Å; R165-Y196 HydrophobicContact CG-CE1 3.88Å; R165-Y196 HydrophobicContact CG-CE2 4.45Å; V175-Y196 HydrophobicContact CG2-CD1 4.33Å; V175-Y196 HydrophobicContact CG2-CE1 4.03Å; I188-Y196 WeakPolarHBondContact CD1-O 3.5Å; L191-Y196 HydrophobicContact CB-CD2 3.95Å; L191-Y196 HydrophobicContact CB-CE2 4.21Å; L191-Y196 HydrophobicContact CB-CG 4.35Å; L191-Y196 HydrophobicContact CD1-CD1 3.61Å; L191-Y196 HydrophobicContact CD1-CD2 3.94Å; L191-Y196 HydrophobicContact CD1-CE1 4.08Å; L191-Y196 HydrophobicContact CD1-CE2 4.4Å; L191-Y196 HydrophobicContact CD1-CG 3.51Å; L191-Y196 HydrophobicContact CG-CD2 4.47Å; L191-Y196 HydrophobicContact CG-CG 4.48Å; S194-Y196 PolarHBondContact O-N 3.07Å
197H95.7Very high94.4Very high35 Ų3542.2 Ų42.216%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-137.3153.1-179.2-55.4-49.4000110.8V164 E166 S194V164-H197 HydrophobicContact CG2-CB 3.91Å; V164-H197 WeakPolarHBondContact CG2-O 3.28Å; V164-H197 PolarHBondContact N-O 3.3Å; V164-H197 PolarHBondContact O-N 2.9Å; E166-H197 IonicContact OE2-CD2 2.67Å; E166-H197 IonicContact OE2-NE2 2.66Å; E166-H197 PolarHBondContact OE2-NE2 3.16Å; S194-H197 PolarHBondContact O-CE1 2.92Å
198I98Very high94.3Very high1 Ų145.2 Ų45.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-97.5123.8167.6-65.1167.4000107.7L118 I120 C121 L161 F162 L178 P184 I188L118-I198 HydrophobicContact CD1-CD1 4.25Å; L118-I198 HydrophobicContact CD2-CD1 3.96Å; L118-I198 HydrophobicContact CG-CD1 4.49Å; I120-I198 HydrophobicContact CD1-CB 4.15Å; I120-I198 HydrophobicContact CD1-CG2 3.75Å; C121-I198 WeakPolarHBondContact CB-O 3.26Å; C121-I198 PolarHBondContact N-O 3.46Å; L161-I198 HydrophobicContact CB-CG2 3.92Å; L161-I198 HydrophobicContact CD1-CG2 4.34Å; L161-I198 HydrophobicContact CD2-CG2 4.09Å; L161-I198 HydrophobicContact CG-CG2 4.34Å; F162-I198 CarbonylContact O-C 3.57Å; F162-I198 WeakPolarHBondContact O-CA 3.44Å; L178-I198 HydrophobicContact CD1-CD1 4.2Å; L178-I198 HydrophobicContact CD1-CG1 4.25Å; L178-I198 HydrophobicContact CD1-CG2 4.23Å; P184-I198 HydrophobicContact CB-CD1 3.82Å; I188-I198 HydrophobicContact CB-CD1 4.21Å; I188-I198 HydrophobicContact CB-CG1 4.48Å; I188-I198 HydrophobicContact CD1-CD1 4.39Å; I188-I198 HydrophobicContact CD1-CG1 4.11Å; I188-I198 HydrophobicContact CG2-CD1 4.17Å
199I97.9Very high94.3Very high7 Ų745.1 Ų45.14%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-110.9134.7178.3-71.8-177.7000111C121 L161 F162 V164 L172 R201C121-I199 HydrophobicContact CB-CG1 3.7Å; C121-I199 CarbonylContact O-C 3.58Å; C121-I199 VanDerWaalsContact O-CA 3.24Å; C121-I199 WeakPolarHBondContact O-CA 3.42Å; L161-I199 WeakPolarHBondContact CA-O 3.41Å; F162-I199 PolarHBondContact N-O 3.49Å; F162-I199 PolarHBondContact O-N 3.37Å; V164-I199 HydrophobicContact CB-CD1 4.32Å; V164-I199 HydrophobicContact CG1-CB 4.36Å; V164-I199 HydrophobicContact CG1-CD1 4.01Å; V164-I199 HydrophobicContact CG1-CG1 4.33Å; V164-I199 HydrophobicContact CG2-CD1 3.48Å; V164-I199 VanDerWaalsContact CG2-CD1 3.48Å; V164-I199 HydrophobicContact CG2-CG1 3.75Å; L172-I199 HydrophobicContact CD1-CD1 3.63Å; I199-R201 HydrophobicContact CG2-CB 4.29Å
200L98.4Very high94.5Very high7 Ų742.2 Ų42.24%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-82.1122163.6-175.572000109.8I120 C121 L122 L142 L149 F159 L161 L222I120-L200 HydrophobicContact CG2-CB 3.94Å; C121-L200 PolarHBondContact O-N 3.26Å; L122-L200 HydrophobicContact CD2-CB 4.2Å; L122-L200 HydrophobicContact CD2-CD2 4.06Å; L142-L200 HydrophobicContact CD1-CD1 3.37Å; L149-L200 HydrophobicContact CD1-CD2 3.51Å; F159-L200 HydrophobicContact CB-CD1 3.72Å; F159-L200 HydrophobicContact CB-CG 4.31Å; F159-L200 HydrophobicContact CD1-CG 4.37Å; F159-L200 HydrophobicContact CG-CD1 4.46Å; L161-L200 HydrophobicContact CD2-CB 4.4Å; L161-L200 HydrophobicContact CD2-CD1 3.95Å; L200-L222 HydrophobicContact CD2-CD1 4.37Å; L200-L222 HydrophobicContact CD2-CD2 4.43Å
201R97.7Very high94.8Very high14 Ų1441.7 Ų41.75%0.05323%0.233CC..EExtended strand (participates in β ladder)trans-142.4152.6179.7-167.4-178.9169.685.10.3111.5F159 S160 F162 I199 Q226 D230F159-R201 CarbonylContact C-O 3.56Å; F159-R201 WeakPolarHBondContact CA-O 3.17Å; S160-R201 PolarHBondContact N-O 2.81Å; S160-R201 PolarHBondContact O-N 3.32Å; F162-R201 HydrophobicContact CD2-CB 3.79Å; F162-R201 HydrophobicContact CE2-CB 3.73Å; I199-R201 HydrophobicContact CG2-CB 4.29Å; R201-Q226 HydrophobicContact CG-CG 4.35Å; R201-Q226 VanDerWaalsContact CZ-CD 3.49Å; R201-Q226 VanDerWaalsContact NH2-NE2 3.19Å; R201-D230 IonicContact CZ-OD1 3.77Å; R201-D230 IonicContact CZ-OD2 2.74Å; R201-D230 IonicContact NH1-OD1 3.32Å; R201-D230 PolarHBondContact NH1-OD1 2.83Å; R201-D230 IonicContact NH1-OD2 3.83Å; R201-D230 PolarHBondContact NH1-OD2 3.06Å; R201-D230 IonicContact NH2-OD1 2.75Å; R201-D230 PolarHBondContact NH2-OD1 2.81Å; R201-D230 IonicContact NH2-OD2 3.34Å; R201-D230 PolarHBondContact NH2-OD2 2.86Å
202K96.6Very high95Very high13 Ų1341.7 Ų41.76%0.05723%0.233CC..EExtended strand (participates in β ladder)trans-56.6142.8170.997.5-177.7-165.7169.60110.1F159 Y204 D210 L223F159-K202 HydrophobicContact CD1-CB 4.48Å; F159-K202 HydrophobicContact CE1-CB 4.36Å; K202-Y204 HydrophobicContact CB-CD1 4.38Å; K202-Y204 HydrophobicContact CB-CE1 3.85Å; K202-Y204 HydrophobicContact CD-CE1 4.21Å; K202-Y204 HydrophobicContact CD-CE2 4.03Å; K202-Y204 HydrophobicContact CG-CE1 4.2Å; K202-D210 IonicContact NZ-OD1 2.65Å; K202-D210 PolarHBondContact NZ-OD1 3.45Å; K202-D210 IonicContact NZ-OD2 3.12Å; K202-L223 HydrophobicContact CB-CD2 3.99Å; K202-L223 HydrophobicContact CD-CD2 3.56Å; K202-L223 HydrophobicContact CG-CD2 4.42Å
203S95.6Very high95.5Very high15 Ų1533 Ų3311%0.10519%0.193CC..  trans-128.821.4-167.872.60000114.9Y158 F159 S160Y158-S203 PolarHBondContact O-N 3.01Å; Y158-S203 PolarHBondContact O-OG 2.85Å; Y158-S203 VanDerWaalsContact O-OG 3.13Å; F159-S203 PolarHBondContact O-OG 2.89Å; S160-S203 WeakPolarHBondContact OG-CB 3.31Å; S160-S203 PolarHBondContact OG-OG 3.24Å; S160-S203 VanDerWaalsContact OG-OG 3.05Å
204Y95.9Very high95.8Very high7 Ų731.4 Ų31.43%0.02718%0.18CC..  trans-120.3160.6174.458.1-93000110.8Y158 K202 D206 Y209 D210 V213 L223Y158-Y204 AromaticContact CD1-CD1 3.69Å; Y158-Y204 HydrophobicContact CD1-CD1 3.69Å; Y158-Y204 AromaticContact CD1-CE1 3.64Å; Y158-Y204 HydrophobicContact CD1-CE1 3.64Å; Y158-Y204 HydrophobicContact CD1-CG 4.49Å; Y158-Y204 HydrophobicContact CG-CD1 4.33Å; Y158-Y204 HydrophobicContact CG-CE1 4.24Å; Y158-Y204 WeakPolarHBondContact O-CD1 3.4Å; K202-Y204 HydrophobicContact CB-CD1 4.38Å; K202-Y204 HydrophobicContact CB-CE1 3.85Å; K202-Y204 HydrophobicContact CD-CE1 4.21Å; K202-Y204 HydrophobicContact CD-CE2 4.03Å; K202-Y204 HydrophobicContact CG-CE1 4.2Å; Y204-D206 WeakPolarHBondContact CD2-O 3.12Å; Y204-Y209 AromaticContact CD2-CD2 3.89Å; Y204-Y209 HydrophobicContact CD2-CD2 3.89Å; Y204-Y209 HydrophobicContact CD2-CG 4.28Å; Y204-Y209 HydrophobicContact CG-CD2 4.12Å; Y204-D210 VanDerWaalsContact CE2-OD1 3.26Å; Y204-D210 WeakPolarHBondContact CE2-OD1 3.41Å; Y204-D210 PolarHBondContact OH-OD1 3.41Å; Y204-V213 HydrophobicContact CE1-CG2 4.09Å; Y204-L223 WeakPolarHBondContact OH-CD2 3.37Å
205W95.9Very high96.1Very high34 Ų3432.5 Ų32.513%0.12918%0.178CC..  trans-106.2-37.9-172.5-57.9101000113.6M207 A291 C375 S378 M379 E382W205-M207 PolarHBondContact O-N 2.93Å; W205-A291 WeakPolarHBondContact CZ3-O 3.49Å; W205-C375 HydrophobicContact CH2-CB 3.73Å; W205-C375 HydrophobicContact CZ2-CB 3.78Å; W205-S378 VanDerWaalsContact NE1-CB 3.3Å; W205-S378 PolarHBondContact NE1-OG 3.15Å; W205-M379 HydrophobicContact CB-CG 4.31Å; W205-M379 HydrophobicContact CD2-CG 3.57Å; W205-M379 HydrophobicContact CD2-SD 4.3Å; W205-M379 HydrophobicContact CE3-CG 4.27Å; W205-M379 HydrophobicContact CE3-SD 4.43Å; W205-M379 HydrophobicContact CG-CG 3.55Å; W205-M379 HydrophobicContact CZ2-CG 4.36Å; W205-E382 PolarHBondContact N-OE2 2.79Å
206D94.1Very high96.3Very high53 Ų5331.8 Ų31.828%0.28317%0.174SC..  trans-77.7123.3178.5-175.4-4000112.6Y204 A208 Y209 E382 K386Y204-D206 WeakPolarHBondContact CD2-O 3.12Å; D206-A208 PolarHBondContact O-N 3.15Å; D206-A208 VanDerWaalsContact OD1-CB 3.31Å; D206-A208 WeakPolarHBondContact OD1-CB 3.46Å; D206-A208 PolarHBondContact OD1-N 2.81Å; D206-Y209 HydrophobicContact CB-CD2 3.96Å; D206-Y209 HydrophobicContact CB-CE2 3.83Å; D206-Y209 WeakPolarHBondContact O-CB 3.32Å; D206-Y209 VanDerWaalsContact O-CD2 3.28Å; D206-Y209 WeakPolarHBondContact O-CD2 3.46Å; D206-Y209 PolarHBondContact O-N 3.49Å; D206-Y209 VanDerWaalsContact O-N 3.16Å; D206-E382 WeakPolarHBondContact CB-OE1 3.46Å; D206-E382 PolarHBondContact N-OE1 3.04Å; D206-K386 VanDerWaalsContact CG-NZ 3.25Å; D206-K386 WeakPolarHBondContact OD2-CE 3.33Å; D206-K386 IonicContact OD2-NZ 3.72Å; D206-K386 PolarHBondContact OD2-NZ 3.15Å
207M94.5Very high96.4Very high77 Ų7738.9 Ų38.938%0.37920%0.201SC..G310 helixtrans-64-17.2177.863.8-179.768.900113.8W205 Y209 D210 Q263 Y268W205-M207 PolarHBondContact O-N 2.93Å; M207-Y209 PolarHBondContact O-N 2.95Å; M207-Y209 VanDerWaalsContact O-N 3.14Å; M207-D210 WeakPolarHBondContact CA-OD2 3.41Å; M207-D210 WeakPolarHBondContact CB-OD2 3.27Å; M207-D210 VanDerWaalsContact O-CB 3.25Å; M207-D210 WeakPolarHBondContact O-CB 3.22Å; M207-D210 PolarHBondContact O-N 3.35Å; M207-Q263 HydrophobicContact SD-CB 4.37Å; M207-Y268 HydrophobicContact CB-CE1 4.35Å; M207-Y268 HydrophobicContact CE-CD1 4.48Å
208A92.7Very high96.5Very high67 Ų6738.4 Ų38.455%0.55420%0.2SC*.G310 helixtrans-55.8-30171.900000111.9D206 D210 G211D206-A208 PolarHBondContact O-N 3.15Å; D206-A208 VanDerWaalsContact OD1-CB 3.31Å; D206-A208 WeakPolarHBondContact OD1-CB 3.46Å; D206-A208 PolarHBondContact OD1-N 2.81Å; A208-D210 VanDerWaalsContact C-N 3.31Å; A208-D210 PolarHBondContact O-N 2.91Å; A208-G211 PolarHBondContact O-N 3.35Å
209Y94.5Very high96.5Very high27 Ų2738.4 Ų38.411%0.10620%0.2CC..G310 helixtrans-76.7-14.4177.2-58.4-38.5000114.1Y158 Y204 D206 M207 G211 D212 V213 E382 K386 I392Y158-Y209 HydrophobicContact CE1-CG 4.49Å; Y204-Y209 AromaticContact CD2-CD2 3.89Å; Y204-Y209 HydrophobicContact CD2-CD2 3.89Å; Y204-Y209 HydrophobicContact CD2-CG 4.28Å; Y204-Y209 HydrophobicContact CG-CD2 4.12Å; D206-Y209 HydrophobicContact CB-CD2 3.96Å; D206-Y209 HydrophobicContact CB-CE2 3.83Å; D206-Y209 WeakPolarHBondContact O-CB 3.32Å; D206-Y209 VanDerWaalsContact O-CD2 3.28Å; D206-Y209 WeakPolarHBondContact O-CD2 3.46Å; D206-Y209 PolarHBondContact O-N 3.49Å; D206-Y209 VanDerWaalsContact O-N 3.16Å; M207-Y209 PolarHBondContact O-N 2.95Å; M207-Y209 VanDerWaalsContact O-N 3.14Å; Y209-G211 PolarHBondContact O-N 2.85Å; Y209-D212 PolarHBondContact O-N 3.3Å; Y209-V213 PolarHBondContact O-N 3.46Å; Y209-E382 HydrophobicContact CE2-CG 4.2Å; Y209-E382 WeakPolarHBondContact CE2-OE1 3.48Å; Y209-K386 WeakPolarHBondContact OH-CE 3.34Å; Y209-I392 HydrophobicContact CD1-CG2 3.78Å; Y209-I392 HydrophobicContact CE1-CB 3.93Å; Y209-I392 HydrophobicContact CE1-CG1 4.32Å; Y209-I392 HydrophobicContact CE1-CG2 3.31Å; Y209-I392 HydrophobicContact CE2-CB 4.27Å; Y209-I392 HydrophobicContact CE2-CD1 4.22Å; Y209-I392 HydrophobicContact CE2-CG1 3.78Å; Y209-I392 HydrophobicContact CE2-CG2 4.25Å; Y209-I392 HydrophobicContact CG-CG2 4.45Å; Y209-I392 WeakPolarHBondContact OH-CB 3.36Å
210D97.4Very high96.6Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-60.6-32.1172.7-60.8-34.9000110K202 Y204 M207 A208 V213 M214 L223 Q263 Y268K202-D210 IonicContact NZ-OD1 2.65Å; K202-D210 PolarHBondContact NZ-OD1 3.45Å; K202-D210 IonicContact NZ-OD2 3.12Å; Y204-D210 VanDerWaalsContact CE2-OD1 3.26Å; Y204-D210 WeakPolarHBondContact CE2-OD1 3.41Å; Y204-D210 PolarHBondContact OH-OD1 3.41Å; M207-D210 WeakPolarHBondContact CA-OD2 3.41Å; M207-D210 WeakPolarHBondContact CB-OD2 3.27Å; M207-D210 VanDerWaalsContact O-CB 3.25Å; M207-D210 WeakPolarHBondContact O-CB 3.22Å; M207-D210 PolarHBondContact O-N 3.35Å; A208-D210 VanDerWaalsContact C-N 3.31Å; A208-D210 PolarHBondContact O-N 2.91Å; D210-V213 PolarHBondContact O-N 3.31Å; D210-M214 HydrophobicContact CB-CE 4.05Å; D210-M214 VanDerWaalsContact O-CB 3.3Å; D210-M214 WeakPolarHBondContact O-CB 3.31Å; D210-M214 WeakPolarHBondContact O-CG 3.49Å; D210-M214 PolarHBondContact O-N 2.79Å; D210-L223 HydrophobicContact CB-CD1 4.09Å; D210-Q263 VanDerWaalsContact CB-NE2 3.34Å; D210-Q263 PolarHBondContact OD2-NE2 3.23Å; D210-Y268 VanDerWaalsContact OD2-CE1 3.3Å; D210-Y268 WeakPolarHBondContact OD2-CE1 3.44Å; D210-Y268 PolarHBondContact OD2-OH 3.11Å
211G96.4Very high96.6Very high30 Ų3041.6 Ų41.631%0.30922%0.217SC..Hα-helixtrans-56.8-51.4176.700000112.9A208 Y209 V213 M214 D215A208-G211 PolarHBondContact O-N 3.35Å; Y209-G211 PolarHBondContact O-N 2.85Å; G211-V213 VanDerWaalsContact C-N 3.25Å; G211-V213 PolarHBondContact O-N 2.97Å; G211-M214 PolarHBondContact O-N 2.85Å; G211-D215 PolarHBondContact O-N 2.89Å
212D95.1Very high96.6Very high52 Ų5241.9 Ų41.928%0.27822%0.22SC..Hα-helixtrans-55.5-42.3176.9-71.7-47.1000111.7Y158 Y209 K393Y158-D212 HydrophobicContact CE1-CB 4.1Å; Y158-D212 WeakPolarHBondContact OH-CB 3.2Å; Y158-D212 VanDerWaalsContact OH-CG 3.27Å; Y158-D212 PolarHBondContact OH-OD2 2.94Å; Y209-D212 PolarHBondContact O-N 3.3Å; D212-K393 VanDerWaalsContact CG-CE 3.47Å; D212-K393 VanDerWaalsContact OD1-CE 3.31Å; D212-K393 WeakPolarHBondContact OD1-CE 3.18Å; D212-K393 IonicContact OD1-NZ 3.71Å; D212-K393 PolarHBondContact OD1-NZ 3.27Å; D212-K393 WeakPolarHBondContact OD2-CE 3.49Å; D212-K393 IonicContact OD2-NZ 2.64Å
213V97.3Very high96.7Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-77.6-35-175.6179.90000111.8Y158 F159 Y204 Y209 D210 G211 D215 N216 G219 L220 L223Y158-V213 HydrophobicContact CD1-CG2 3.49Å; Y158-V213 VanDerWaalsContact CD1-CG2 3.49Å; Y158-V213 HydrophobicContact CD2-CG2 4.35Å; Y158-V213 HydrophobicContact CE1-CG2 4.02Å; Y158-V213 HydrophobicContact CG-CG2 3.66Å; F159-V213 HydrophobicContact CE2-CG1 4.15Å; F159-V213 HydrophobicContact CZ-CG1 3.89Å; Y204-V213 HydrophobicContact CE1-CG2 4.09Å; Y209-V213 PolarHBondContact O-N 3.46Å; D210-V213 PolarHBondContact O-N 3.31Å; G211-V213 VanDerWaalsContact C-N 3.25Å; G211-V213 PolarHBondContact O-N 2.97Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-D215 PolarHBondContact O-N 2.84Å; V213-N216 PolarHBondContact O-N 2.77Å; V213-G219 CarbonylContact O-C 3.58Å; V213-G219 WeakPolarHBondContact O-CA 3.3Å; V213-L220 PolarHBondContact O-N 2.93Å; V213-L223 HydrophobicContact CB-CD1 3.67Å; V213-L223 HydrophobicContact CB-CG 4.36Å; V213-L223 HydrophobicContact CG1-CD1 3.53Å; V213-L223 HydrophobicContact CG1-CD2 4.41Å; V213-L223 HydrophobicContact CG1-CG 3.69Å
214M97.9Very high96.8Very high8 Ų841.9 Ų41.94%0.03922%0.217CC..Hα-helixtrans-72.8-18.6179.4-75-169.2-66.500113.8D210 G211 N216 L220 L223 K256 I259D210-M214 HydrophobicContact CB-CE 4.05Å; D210-M214 VanDerWaalsContact O-CB 3.3Å; D210-M214 WeakPolarHBondContact O-CB 3.31Å; D210-M214 WeakPolarHBondContact O-CG 3.49Å; D210-M214 PolarHBondContact O-N 2.79Å; G211-M214 PolarHBondContact O-N 2.85Å; M214-N216 PolarHBondContact O-N 3.1Å; M214-L220 HydrophobicContact CB-CD1 4.11Å; M214-L220 HydrophobicContact CG-CD1 3.79Å; M214-L220 HydrophobicContact SD-CD1 4.17Å; M214-L223 HydrophobicContact CG-CD1 3.92Å; M214-K256 HydrophobicContact SD-CG 4.15Å; M214-I259 HydrophobicContact CE-CG2 4.4Å; M214-I259 HydrophobicContact CG-CD1 4.12Å; M214-I259 HydrophobicContact SD-CB 3.87Å; M214-I259 HydrophobicContact SD-CD1 3.81Å; M214-I259 HydrophobicContact SD-CG1 4.49Å; M214-I259 HydrophobicContact SD-CG2 3.62Å
215D96.6Very high96.9Very high124 Ų12442 Ų4266%0.66322%0.22SC*.THydrogen-bonded Turntrans-70.6-16.7177.1-74.5-14.7000112.6G211 V213 K256G211-D215 PolarHBondContact O-N 2.89Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-D215 PolarHBondContact O-N 2.84Å; D215-K256 IonicContact OD1-NZ 3.57Å
216N98.1Very high97Very high42 Ų4240.7 Ų40.723%0.22522%0.215CC..SBendtrans-101.7141.5169.4178.5-87.5000111.7P152 L155 V213 M214 V218 G219 L220P152-N216 VanDerWaalsContact CG-ND2 3.29Å; P152-N216 WeakPolarHBondContact CG-ND2 3.39Å; L155-N216 HydrophobicContact CD1-CB 3.37Å; V213-N216 PolarHBondContact O-N 2.77Å; M214-N216 PolarHBondContact O-N 3.1Å; N216-V218 PolarHBondContact O-N 3.03Å; N216-V218 WeakPolarHBondContact OD1-CA 3.46Å; N216-V218 WeakPolarHBondContact OD1-CB 2.85Å; N216-V218 PolarHBondContact OD1-N 3.21Å; N216-G219 PolarHBondContact O-N 2.64Å; N216-G219 PolarHBondContact OD1-N 2.87Å; N216-G219 VanDerWaalsContact OD1-N 3.09Å; N216-L220 VanDerWaalsContact O-CB 3.27Å; N216-L220 WeakPolarHBondContact O-CB 3.34Å; N216-L220 PolarHBondContact O-N 3Å
217R98.2Very high97.2Very high204 Ų20438.3 Ų38.377%0.7720%0.202SC*.Hα-helixtrans-61.6-42.4-178.9-176.8-178.1176.6-164.7-2.1113.5N221R217-N221 PolarHBondContact O-N 2.93Å; R217-N221 VanDerWaalsContact O-N 3.1Å; R217-N221 PolarHBondContact O-ND2 3.18Å; R217-N221 VanDerWaalsContact O-ND2 3.07Å
218V98.1Very high97.4Very high25 Ų2536 Ų3615%0.15219%0.191CC..Hα-helixtrans-70.8-46.3179.7179.50000109.7L149 D150 L151 N216 L220 N221 L222L149-V218 HydrophobicContact CB-CG1 4.38Å; L149-V218 WeakPolarHBondContact O-CG1 3.4Å; D150-V218 WeakPolarHBondContact O-CG2 3.31Å; L151-V218 HydrophobicContact CB-CG1 4.14Å; L151-V218 HydrophobicContact CD1-CB 4.32Å; L151-V218 HydrophobicContact CD1-CG1 4.03Å; N216-V218 PolarHBondContact O-N 3.03Å; N216-V218 WeakPolarHBondContact OD1-CA 3.46Å; N216-V218 WeakPolarHBondContact OD1-CB 2.85Å; N216-V218 PolarHBondContact OD1-N 3.21Å; V218-L220 PolarHBondContact O-N 3.01Å; V218-N221 WeakPolarHBondContact O-CB 3.24Å; V218-N221 PolarHBondContact O-N 2.85Å; V218-N221 VanDerWaalsContact O-N 3.09Å; V218-L222 HydrophobicContact CG1-CD1 4.19Å; V218-L222 HydrophobicContact CG1-CG 4.47Å; V218-L222 WeakPolarHBondContact O-CG 3.18Å; V218-L222 PolarHBondContact O-N 3.48Å
219G98.3Very high97.5Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-55.4-47.2173.700000112.8V213 N216 N221 L222 L223V213-G219 CarbonylContact O-C 3.58Å; V213-G219 WeakPolarHBondContact O-CA 3.3Å; N216-G219 PolarHBondContact O-N 2.64Å; N216-G219 PolarHBondContact OD1-N 2.87Å; N216-G219 VanDerWaalsContact OD1-N 3.09Å; G219-N221 VanDerWaalsContact C-N 3.33Å; G219-N221 PolarHBondContact O-N 3.12Å; G219-L222 PolarHBondContact O-N 2.74Å; G219-L223 PolarHBondContact O-N 3.23Å
220L98.6Very high97.6Very high31 Ų3132.2 Ų32.216%0.16217%0.165CC..Hα-helixtrans-56.4-44.3173.8177.463.8000112.2V213 M214 N216 V218 Y224 K255 K256 I259V213-L220 PolarHBondContact O-N 2.93Å; M214-L220 HydrophobicContact CB-CD1 4.11Å; M214-L220 HydrophobicContact CG-CD1 3.79Å; M214-L220 HydrophobicContact SD-CD1 4.17Å; N216-L220 VanDerWaalsContact O-CB 3.27Å; N216-L220 WeakPolarHBondContact O-CB 3.34Å; N216-L220 PolarHBondContact O-N 3Å; V218-L220 PolarHBondContact O-N 3.01Å; L220-Y224 WeakPolarHBondContact O-CB 3.5Å; L220-Y224 PolarHBondContact O-N 3.26Å; L220-K255 HydrophobicContact CD1-CB 4.25Å; L220-K255 HydrophobicContact CD2-CB 4.31Å; L220-K255 HydrophobicContact CG-CB 4.2Å; L220-K256 HydrophobicContact CD1-CB 4.22Å; L220-I259 HydrophobicContact CD1-CD1 3.59Å
221N98.4Very high97.6Very high51 Ų5133.2 Ų33.227%0.27317%0.17SC..Hα-helixtrans-66-40.9179.5-70.5-31.2000112.2R217 V218 G219 Y224 A225 K255R217-N221 PolarHBondContact O-N 2.93Å; R217-N221 VanDerWaalsContact O-N 3.1Å; R217-N221 PolarHBondContact O-ND2 3.18Å; R217-N221 VanDerWaalsContact O-ND2 3.07Å; V218-N221 WeakPolarHBondContact O-CB 3.24Å; V218-N221 PolarHBondContact O-N 2.85Å; V218-N221 VanDerWaalsContact O-N 3.09Å; G219-N221 VanDerWaalsContact C-N 3.33Å; G219-N221 PolarHBondContact O-N 3.12Å; N221-Y224 PolarHBondContact O-N 2.87Å; N221-A225 VanDerWaalsContact O-CB 3.28Å; N221-A225 WeakPolarHBondContact O-CB 3.46Å; N221-A225 PolarHBondContact O-N 2.87Å; N221-K255 WeakPolarHBondContact OD1-CD 3.28Å; N221-K255 PolarHBondContact OD1-NZ 2.69Å
222L98.5Very high97.5Very high19 Ų1938.4 Ų38.410%0.09919%0.186CC..Hα-helixtrans-65-47177.9-69.4172.6000111.2L122 L149 L151 F159 L200 V218 G219 Y224 A225 Q226L122-L222 HydrophobicContact CD1-CD2 4.25Å; L122-L222 HydrophobicContact CD2-CD2 3.95Å; L149-L222 HydrophobicContact CD1-CD2 4.44Å; L151-L222 HydrophobicContact CD1-CD1 4.2Å; L151-L222 HydrophobicContact CD2-CD1 4.36Å; F159-L222 HydrophobicContact CD1-CD1 4.46Å; F159-L222 HydrophobicContact CE1-CB 3.81Å; F159-L222 HydrophobicContact CE1-CD1 3.86Å; F159-L222 HydrophobicContact CE1-CG 4.45Å; F159-L222 HydrophobicContact CE2-CD1 4.18Å; F159-L222 HydrophobicContact CZ-CB 3.9Å; F159-L222 HydrophobicContact CZ-CD1 3.69Å; F159-L222 HydrophobicContact CZ-CG 4.46Å; L200-L222 HydrophobicContact CD2-CD1 4.37Å; L200-L222 HydrophobicContact CD2-CD2 4.43Å; V218-L222 HydrophobicContact CG1-CD1 4.19Å; V218-L222 HydrophobicContact CG1-CG 4.47Å; V218-L222 WeakPolarHBondContact O-CG 3.18Å; V218-L222 PolarHBondContact O-N 3.48Å; G219-L222 PolarHBondContact O-N 2.74Å; L222-Y224 PolarHBondContact O-N 3.31Å; L222-A225 PolarHBondContact O-N 3.34Å; L222-Q226 WeakPolarHBondContact O-CB 3.28Å; L222-Q226 PolarHBondContact O-N 3.16Å
223L98.4Very high97.4Very high1 Ų139.3 Ų39.31%0.00519%0.186CC..Hα-helixtrans-63.8-40176.1-73.1-175000112.6K202 Y204 D210 V213 M214 G219 Q226 T227 I259K202-L223 HydrophobicContact CB-CD2 3.99Å; K202-L223 HydrophobicContact CD-CD2 3.56Å; K202-L223 HydrophobicContact CG-CD2 4.42Å; Y204-L223 WeakPolarHBondContact OH-CD2 3.37Å; D210-L223 HydrophobicContact CB-CD1 4.09Å; V213-L223 HydrophobicContact CB-CD1 3.67Å; V213-L223 HydrophobicContact CB-CG 4.36Å; V213-L223 HydrophobicContact CG1-CD1 3.53Å; V213-L223 HydrophobicContact CG1-CD2 4.41Å; V213-L223 HydrophobicContact CG1-CG 3.69Å; M214-L223 HydrophobicContact CG-CD1 3.92Å; G219-L223 PolarHBondContact O-N 3.23Å; L223-Q226 PolarHBondContact O-N 3.01Å; L223-T227 WeakPolarHBondContact O-CB 3.41Å; L223-T227 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-OG1 2.86Å; L223-I259 HydrophobicContact CB-CD1 3.88Å
224Y98.6Very high97.2Very high27 Ų2740.7 Ų40.711%0.10620%0.2CC..Hα-helixtrans-62.4-49.8176.1172.2-99.2000111.3L220 N221 L222 Q226 T227 L228 Q250 K255 F258L220-Y224 WeakPolarHBondContact O-CB 3.5Å; L220-Y224 PolarHBondContact O-N 3.26Å; N221-Y224 PolarHBondContact O-N 2.87Å; L222-Y224 PolarHBondContact O-N 3.31Å; Y224-Q226 VanDerWaalsContact C-N 3.29Å; Y224-Q226 PolarHBondContact O-N 3.08Å; Y224-T227 PolarHBondContact O-N 3.13Å; Y224-L228 HydrophobicContact CE1-CD2 4.47Å; Y224-L228 WeakPolarHBondContact O-CB 2.99Å; Y224-L228 PolarHBondContact O-N 3.01Å; Y224-Q250 WeakPolarHBondContact OH-CG 3.38Å; Y224-K255 HydrophobicContact CD1-CD 3.84Å; Y224-K255 HydrophobicContact CD1-CG 4.04Å; Y224-K255 HydrophobicContact CD2-CB 3.81Å; Y224-K255 HydrophobicContact CD2-CD 4.37Å; Y224-K255 HydrophobicContact CD2-CG 3.77Å; Y224-K255 HydrophobicContact CE1-CD 4.39Å; Y224-K255 HydrophobicContact CE1-CG 4.33Å; Y224-K255 HydrophobicContact CE2-CB 4.44Å; Y224-K255 HydrophobicContact CE2-CG 4.08Å; Y224-K255 HydrophobicContact CG-CB 3.98Å; Y224-K255 HydrophobicContact CG-CD 3.83Å; Y224-K255 HydrophobicContact CG-CG 3.75Å; Y224-F258 HydrophobicContact CD2-CB 4.14Å; Y224-F258 AromaticContact CD2-CD1 3.73Å; Y224-F258 HydrophobicContact CD2-CD1 3.73Å; Y224-F258 HydrophobicContact CD2-CE1 4.32Å; Y224-F258 HydrophobicContact CD2-CG 4Å; Y224-F258 HydrophobicContact CE2-CB 3.93Å; Y224-F258 AromaticContact CE2-CD1 3.61Å; Y224-F258 HydrophobicContact CE2-CD1 3.61Å; Y224-F258 AromaticContact CE2-CD2 3.95Å; Y224-F258 HydrophobicContact CE2-CD2 3.95Å; Y224-F258 HydrophobicContact CE2-CE1 4.04Å; Y224-F258 HydrophobicContact CE2-CE2 4.33Å; Y224-F258 AromaticContact CE2-CG 3.57Å; Y224-F258 HydrophobicContact CE2-CG 3.57Å; Y224-F258 HydrophobicContact CE2-CZ 4.38Å
225A98.1Very high97.1Very high11 Ų1141.5 Ų41.59%0.09120%0.203CC..Hα-helixtrans-59.5-41.1178.700000111.9N124 N221 L222 S229N124-A225 HydrophobicContact CB-CB 4.08Å; N221-A225 VanDerWaalsContact O-CB 3.28Å; N221-A225 WeakPolarHBondContact O-CB 3.46Å; N221-A225 PolarHBondContact O-N 2.87Å; L222-A225 PolarHBondContact O-N 3.34Å; A225-S229 WeakPolarHBondContact O-CB 3.32Å; A225-S229 PolarHBondContact O-N 3.39Å; A225-S229 VanDerWaalsContact O-N 3.12Å
226Q97.9Very high97.2Very high6 Ų635.8 Ų35.83%0.02817%0.172CC..Hα-helixtrans-64.3-49174.8-170.6-175.1-55.700112R201 L222 L223 Y224 L228 S229 D230R201-Q226 HydrophobicContact CG-CG 4.35Å; R201-Q226 VanDerWaalsContact CZ-CD 3.49Å; R201-Q226 VanDerWaalsContact NH2-NE2 3.19Å; L222-Q226 WeakPolarHBondContact O-CB 3.28Å; L222-Q226 PolarHBondContact O-N 3.16Å; L223-Q226 PolarHBondContact O-N 3.01Å; Y224-Q226 VanDerWaalsContact C-N 3.29Å; Y224-Q226 PolarHBondContact O-N 3.08Å; Q226-L228 VanDerWaalsContact C-N 3.31Å; Q226-L228 PolarHBondContact O-N 3.11Å; Q226-S229 PolarHBondContact O-N 2.68Å; Q226-D230 WeakPolarHBondContact O-CB 3.44Å; Q226-D230 VanDerWaalsContact O-CG 3.23Å; Q226-D230 PolarHBondContact O-N 3.34Å
227T98.4Very high97.1Very high2 Ų237.6 Ų37.61%0.01218%0.181CC..Hα-helixtrans-60.7-42.4-178.6-55.70000111.2L223 Y224 D230 I231 I236 F258 Y268L223-T227 WeakPolarHBondContact O-CB 3.41Å; L223-T227 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-OG1 2.86Å; Y224-T227 PolarHBondContact O-N 3.13Å; T227-D230 PolarHBondContact O-N 3.11Å; T227-I231 HydrophobicContact CG2-CD1 4.05Å; T227-I231 WeakPolarHBondContact O-CD1 3.32Å; T227-I231 VanDerWaalsContact O-CG1 3.31Å; T227-I231 WeakPolarHBondContact O-CG1 3.48Å; T227-I231 PolarHBondContact O-N 3.3Å; T227-I231 VanDerWaalsContact O-N 3.09Å; T227-I236 HydrophobicContact CG2-CD1 4.19Å; T227-F258 HydrophobicContact CG2-CD1 4.33Å; T227-F258 HydrophobicContact CG2-CE1 3.92Å; T227-Y268 HydrophobicContact CG2-CD2 4.19Å; T227-Y268 HydrophobicContact CG2-CE2 3.76Å
228L97.2Very high97.1Very high28 Ų2830.1 Ų30.115%0.14716%0.158CC..Hα-helixtrans-61.3-49.8176.1179.863.7000111.4Y224 Q226 D230 I231 E232 F258Y224-L228 HydrophobicContact CE1-CD2 4.47Å; Y224-L228 WeakPolarHBondContact O-CB 2.99Å; Y224-L228 PolarHBondContact O-N 3.01Å; Q226-L228 VanDerWaalsContact C-N 3.31Å; Q226-L228 PolarHBondContact O-N 3.11Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 3.11Å; L228-I231 PolarHBondContact O-N 3.31Å; L228-I231 VanDerWaalsContact O-N 3.15Å; L228-E232 HydrophobicContact CD1-CG 4.39Å; L228-E232 WeakPolarHBondContact O-CG 3.33Å; L228-E232 PolarHBondContact O-N 2.88Å; L228-F258 HydrophobicContact CB-CE1 4.49Å; L228-F258 HydrophobicContact CB-CZ 4.44Å; L228-F258 HydrophobicContact CD1-CZ 3.94Å
229S95.9Very high97Very high10 Ų1032.9 Ų32.97%0.0717%0.172CC..Hα-helixtrans-59.9-42.1178.3-172.80000112.2S123 A225 Q226 I231 E232 R233S123-S229 WeakPolarHBondContact O-CB 3.29Å; S123-S229 PolarHBondContact O-OG 3.28Å; A225-S229 WeakPolarHBondContact O-CB 3.32Å; A225-S229 PolarHBondContact O-N 3.39Å; A225-S229 VanDerWaalsContact O-N 3.12Å; Q226-S229 PolarHBondContact O-N 2.68Å; S229-I231 VanDerWaalsContact C-N 3.3Å; S229-I231 PolarHBondContact O-N 2.91Å; S229-E232 PolarHBondContact O-N 2.95Å; S229-R233 WeakPolarHBondContact O-CB 3.39Å; S229-R233 WeakPolarHBondContact O-CG 3.38Å; S229-R233 PolarHBondContact O-N 3.29Å; S229-R233 PolarHBondContact OG-NE 3.31Å
230D96.9Very high96.9Very high5 Ų541.6 Ų41.63%0.02721%0.21CC..Hα-helixtrans-65.5-32.5178.1-68.2-12.7000111.8R201 Q226 T227 L228 G234 W235 I236R201-D230 IonicContact CZ-OD1 3.77Å; R201-D230 IonicContact CZ-OD2 2.74Å; R201-D230 IonicContact NH1-OD1 3.32Å; R201-D230 PolarHBondContact NH1-OD1 2.83Å; R201-D230 IonicContact NH1-OD2 3.83Å; R201-D230 PolarHBondContact NH1-OD2 3.06Å; R201-D230 IonicContact NH2-OD1 2.75Å; R201-D230 PolarHBondContact NH2-OD1 2.81Å; R201-D230 IonicContact NH2-OD2 3.34Å; R201-D230 PolarHBondContact NH2-OD2 2.86Å; Q226-D230 WeakPolarHBondContact O-CB 3.44Å; Q226-D230 VanDerWaalsContact O-CG 3.23Å; Q226-D230 PolarHBondContact O-N 3.34Å; T227-D230 PolarHBondContact O-N 3.11Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 3.11Å; D230-G234 PolarHBondContact O-N 3.5Å; D230-W235 HydrophobicContact CB-CB 4.24Å; D230-W235 WeakPolarHBondContact O-CA 3.41Å; D230-W235 WeakPolarHBondContact O-CB 3.25Å; D230-W235 PolarHBondContact O-N 2.91Å; D230-I236 HydrophobicContact CB-CD1 3.66Å; D230-I236 HydrophobicContact CB-CG1 3.92Å; D230-I236 PolarHBondContact O-N 2.93Å
231I96.9Very high96.9Very high21 Ų2144.2 Ų44.211%0.10822%0.224CC..Hα-helixtrans-71.3-48.1172.8-69160.9000110.7T227 L228 S229 R233 G234 I236 V238 L246 F258 L265T227-I231 HydrophobicContact CG2-CD1 4.05Å; T227-I231 WeakPolarHBondContact O-CD1 3.32Å; T227-I231 VanDerWaalsContact O-CG1 3.31Å; T227-I231 WeakPolarHBondContact O-CG1 3.48Å; T227-I231 PolarHBondContact O-N 3.3Å; T227-I231 VanDerWaalsContact O-N 3.09Å; L228-I231 PolarHBondContact O-N 3.31Å; L228-I231 VanDerWaalsContact O-N 3.15Å; S229-I231 VanDerWaalsContact C-N 3.3Å; S229-I231 PolarHBondContact O-N 2.91Å; I231-R233 PolarHBondContact O-N 3.03Å; I231-G234 PolarHBondContact O-N 3.23Å; I231-I236 HydrophobicContact CG1-CB 3.79Å; I231-I236 HydrophobicContact CG1-CD1 4.12Å; I231-I236 HydrophobicContact CG1-CG2 3.9Å; I231-V238 HydrophobicContact CG1-CG1 4.2Å; I231-V238 HydrophobicContact CG2-CG1 3.92Å; I231-V238 HydrophobicContact CG2-CG2 4.21Å; I231-L246 HydrophobicContact CD1-CD1 3.93Å; I231-L246 HydrophobicContact CD1-CD2 4.3Å; I231-F258 HydrophobicContact CD1-CE1 3.98Å; I231-F258 HydrophobicContact CD1-CZ 3.92Å; I231-L265 HydrophobicContact CD1-CD1 4.39Å
232E94.4Very high96.8Very high140 Ų14044 Ų4465%0.65422%0.221SC*.Hα-helixtrans-60.3-34.6-179.7-72.8175.1169.400112.1L228 S229 G234L228-E232 HydrophobicContact CD1-CG 4.39Å; L228-E232 WeakPolarHBondContact O-CG 3.33Å; L228-E232 PolarHBondContact O-N 2.88Å; S229-E232 PolarHBondContact O-N 2.95Å; E232-G234 VanDerWaalsContact C-N 3.28Å; E232-G234 PolarHBondContact O-N 3.43Å
233R92.3Very high96.8Very high71 Ų7147.9 Ų47.927%0.26824%0.239SC..THydrogen-bonded Turntrans-80.7-3175.9-66.8172.8-177.4-77.9-0.5113.9G170 L172 S229 I231 W235G170-R233 PolarHBondContact O-NH1 2.98Å; L172-R233 VanDerWaalsContact CD1-NH2 3.27Å; S229-R233 WeakPolarHBondContact O-CB 3.39Å; S229-R233 WeakPolarHBondContact O-CG 3.38Å; S229-R233 PolarHBondContact O-N 3.29Å; S229-R233 PolarHBondContact OG-NE 3.31Å; I231-R233 PolarHBondContact O-N 3.03Å; R233-W235 HydrophobicContact CB-CG 4.33Å; R233-W235 PolarHBondContact O-N 2.81Å
234G94.1Very high96.7Very high29 Ų2956 Ų5630%0.29927%0.269SS..THydrogen-bonded Turntrans63.230.8-17600000113.5D230 I231 E232 K272D230-G234 PolarHBondContact O-N 3.5Å; I231-G234 PolarHBondContact O-N 3.23Å; E232-G234 VanDerWaalsContact C-N 3.28Å; E232-G234 PolarHBondContact O-N 3.43Å; G234-K272 PolarHBondContact O-NZ 3.48Å; G234-K272 VanDerWaalsContact O-NZ 3.14Å
235W95.5Very high96.7Very high25 Ų2559.7 Ų59.710%0.09529%0.288CS..SBendtrans-80.5-43.5168.6-71.126000109.8F174 D230 R233 Y267 L271 K272F174-W235 AromaticContact CD2-CH2 3.55Å; F174-W235 HydrophobicContact CD2-CH2 3.55Å; F174-W235 HydrophobicContact CD2-CZ2 4.3Å; F174-W235 HydrophobicContact CD2-CZ3 4.47Å; F174-W235 AromaticContact CE2-CH2 3.41Å; F174-W235 HydrophobicContact CE2-CH2 3.41Å; F174-W235 VanDerWaalsContact CE2-CH2 3.41Å; F174-W235 HydrophobicContact CE2-CZ2 4.21Å; F174-W235 HydrophobicContact CE2-CZ3 4.09Å; F174-W235 HydrophobicContact CZ-CH2 4.42Å; D230-W235 HydrophobicContact CB-CB 4.24Å; D230-W235 WeakPolarHBondContact O-CA 3.41Å; D230-W235 WeakPolarHBondContact O-CB 3.25Å; D230-W235 PolarHBondContact O-N 2.91Å; R233-W235 HydrophobicContact CB-CG 4.33Å; R233-W235 PolarHBondContact O-N 2.81Å; W235-Y267 VanDerWaalsContact O-CB 3.3Å; W235-Y267 WeakPolarHBondContact O-CB 3.35Å; W235-L271 HydrophobicContact CH2-CG 4.27Å; W235-L271 HydrophobicContact CZ3-CB 4.5Å; W235-L271 HydrophobicContact CZ3-CG 4Å; W235-K272 HydrophobicContact CB-CB 4.48Å; W235-K272 HydrophobicContact CD2-CB 3.71Å; W235-K272 HydrophobicContact CE3-CB 4.14Å; W235-K272 HydrophobicContact CG-CB 3.89Å; W235-K272 HydrophobicContact CG-CD 4.13Å; W235-K272 WeakPolarHBondContact CH2-O 3.41Å; W235-K272 HydrophobicContact CZ2-CB 4.32Å; W235-K272 WeakPolarHBondContact CZ2-O 3.35Å
236I97.9Very high96.7Very high3 Ų359.5 Ų59.52%0.01529%0.285CS..SBendtrans-91.2126.4168.9-62.6171.8000108.4T227 D230 I231 V238 L265 Y268T227-I236 HydrophobicContact CG2-CD1 4.19Å; D230-I236 HydrophobicContact CB-CD1 3.66Å; D230-I236 HydrophobicContact CB-CG1 3.92Å; D230-I236 PolarHBondContact O-N 2.93Å; I231-I236 HydrophobicContact CG1-CB 3.79Å; I231-I236 HydrophobicContact CG1-CD1 4.12Å; I231-I236 HydrophobicContact CG1-CG2 3.9Å; I236-V238 HydrophobicContact CG2-CG1 4.28Å; I236-L265 HydrophobicContact CG2-CB 3.53Å; I236-L265 HydrophobicContact CG2-CD1 3.91Å; I236-L265 HydrophobicContact CG2-CG 4.35Å; I236-Y268 HydrophobicContact CD1-CD2 3.8Å
237L96.8Very high96.7Very high81 Ų8164.4 Ų64.442%0.42431%0.306SS..BIsolated β-bridgetrans-88.3128.2-178.8-60.2-177.4000110.9K266 Y267L237-K266 HydrophobicContact CB-CB 4.33Å; L237-K266 HydrophobicContact CD1-CD 4.27Å; L237-K266 PolarHBondContact N-O 3.05Å; L237-Y267 HydrophobicContact CD1-CD2 3.84Å; L237-Y267 HydrophobicContact CD1-CE2 3.59Å; L237-Y267 HydrophobicContact CG-CD2 3.82Å; L237-Y267 HydrophobicContact CG-CE2 4.11Å
238V97.6Very high96.7Very high46 Ų4666.3 Ų66.328%0.27932%0.32SS..  trans-127.5136.7-178.3-53.30000110.6I231 I236 H243 L246 L265I231-V238 HydrophobicContact CG1-CG1 4.2Å; I231-V238 HydrophobicContact CG2-CG1 3.92Å; I231-V238 HydrophobicContact CG2-CG2 4.21Å; I236-V238 HydrophobicContact CG2-CG1 4.28Å; V238-H243 HydrophobicContact CG2-CB 4.23Å; V238-L246 HydrophobicContact CG1-CD1 3.98Å; V238-L265 HydrophobicContact CG1-CD1 3.77Å
239N96.8Very high96.7Very high83 Ų8366.5 Ų66.544%0.44432%0.321SS..  trans-85.8173.6169.573.636.9000111.2D241 Q242 H243N239-D241 VanDerWaalsContact C-N 3.29Å; N239-D241 PolarHBondContact O-N 2.87Å; N239-D241 PolarHBondContact OD1-N 2.93Å; N239-Q242 PolarHBondContact ND2-OE1 2.9Å; N239-Q242 PolarHBondContact O-N 3.1Å; N239-Q242 WeakPolarHBondContact OD1-CB 3.38Å; N239-Q242 WeakPolarHBondContact OD1-CG 3.45Å; N239-Q242 PolarHBondContact OD1-N 3.42Å; N239-H243 WeakPolarHBondContact O-CB 3.42Å; N239-H243 PolarHBondContact O-N 3.01Å
240K96.6Very high96.8Very high183 Ų18369.9 Ų69.980%0.79634%0.335SS*.Hα-helixtrans-61.5-33.2-176.4-67.7-175.8178.8179.70113.7R244K240-R244 WeakPolarHBondContact O-CG 3.48Å; K240-R244 PolarHBondContact O-N 2.68Å
241D97.1Very high96.8Very high87 Ų8776.1 Ų76.147%0.46536%0.364SS..Hα-helixtrans-77.8-45.4-178.4-65.5-17000111N239 H243 R244 Q245N239-D241 VanDerWaalsContact C-N 3.29Å; N239-D241 PolarHBondContact O-N 2.87Å; N239-D241 PolarHBondContact OD1-N 2.93Å; D241-H243 VanDerWaalsContact C-N 3.3Å; D241-H243 PolarHBondContact O-N 3.3Å; D241-R244 WeakPolarHBondContact O-CB 3.34Å; D241-R244 PolarHBondContact O-N 3.25Å; D241-R244 VanDerWaalsContact O-N 3.13Å; D241-R244 IonicContact OD1-CZ 3.79Å; D241-R244 IonicContact OD1-NE 2.81Å; D241-R244 IonicContact OD1-NH2 2.64Å; D241-R244 PolarHBondContact OD1-NH2 3.08Å; D241-Q245 WeakPolarHBondContact O-CG 3.35Å; D241-Q245 PolarHBondContact O-N 3.09Å
242Q97.5Very high96.8Very high46 Ų4682.2 Ų82.222%0.21539%0.39CS..Hα-helixtrans-58.1-44.2172.9-70.5166.1-26.900110.9N239 R244 Q245 L246 L265N239-Q242 PolarHBondContact ND2-OE1 2.9Å; N239-Q242 PolarHBondContact O-N 3.1Å; N239-Q242 WeakPolarHBondContact OD1-CB 3.38Å; N239-Q242 WeakPolarHBondContact OD1-CG 3.45Å; N239-Q242 PolarHBondContact OD1-N 3.42Å; Q242-R244 VanDerWaalsContact C-N 3.31Å; Q242-R244 PolarHBondContact O-N 2.8Å; Q242-Q245 PolarHBondContact O-N 2.82Å; Q242-Q245 VanDerWaalsContact O-N 3.17Å; Q242-L246 WeakPolarHBondContact O-CB 3.46Å; Q242-L246 VanDerWaalsContact O-CG 3.3Å; Q242-L246 WeakPolarHBondContact O-CG 3.48Å; Q242-L246 PolarHBondContact O-N 2.8Å; Q242-L265 HydrophobicContact CB-CD2 4.14Å; Q242-L265 HydrophobicContact CG-CD2 3.9Å
243H97.1Very high96.9Very high101 Ų10177.8 Ų77.847%0.46838%0.382SS..Hα-helixtrans-60.2-39.7176.1-171.7-66.8000112.1V238 N239 D241 K247V238-H243 HydrophobicContact CG2-CB 4.23Å; N239-H243 WeakPolarHBondContact O-CB 3.42Å; N239-H243 PolarHBondContact O-N 3.01Å; D241-H243 VanDerWaalsContact C-N 3.3Å; D241-H243 PolarHBondContact O-N 3.3Å; H243-K247 WeakPolarHBondContact O-CB 3.38Å; H243-K247 PolarHBondContact O-N 2.9Å
244R97.8Very high97.2Very high170 Ų17076 Ų7664%0.64238%0.381SS*.Hα-helixtrans-64.8-42174.8-76.7-173.5-78.5175-7.7112.1K240 D241 Q242 S248K240-R244 WeakPolarHBondContact O-CG 3.48Å; K240-R244 PolarHBondContact O-N 2.68Å; D241-R244 WeakPolarHBondContact O-CB 3.34Å; D241-R244 PolarHBondContact O-N 3.25Å; D241-R244 VanDerWaalsContact O-N 3.13Å; D241-R244 IonicContact OD1-CZ 3.79Å; D241-R244 IonicContact OD1-NE 2.81Å; D241-R244 IonicContact OD1-NH2 2.64Å; D241-R244 PolarHBondContact OD1-NH2 3.08Å; Q242-R244 VanDerWaalsContact C-N 3.31Å; Q242-R244 PolarHBondContact O-N 2.8Å; R244-S248 PolarHBondContact O-N 3.43Å
245Q98.1Very high97.4Very high106 Ų10677.9 Ų77.950%0.49538%0.381SS..Hα-helixtrans-64-48.7176.9-69.3174.7-1.700111.8D241 Q242 K247 S248 L249 L261D241-Q245 WeakPolarHBondContact O-CG 3.35Å; D241-Q245 PolarHBondContact O-N 3.09Å; Q242-Q245 PolarHBondContact O-N 2.82Å; Q242-Q245 VanDerWaalsContact O-N 3.17Å; Q245-K247 VanDerWaalsContact C-N 3.33Å; Q245-K247 PolarHBondContact O-N 2.96Å; Q245-S248 WeakPolarHBondContact O-CB 3.31Å; Q245-S248 PolarHBondContact O-N 2.95Å; Q245-S248 VanDerWaalsContact O-N 3.14Å; Q245-L249 WeakPolarHBondContact O-CG 3.39Å; Q245-L249 PolarHBondContact O-N 3.12Å; Q245-L261 HydrophobicContact CB-CD2 3.71Å
246L98.1Very high97.5Very high6 Ų680.5 Ų80.53%0.03139%0.393CS..Hα-helixtrans-56.9-45.3176.7-73.6164.2000111.5I231 V238 Q242 S248 L249 Q250 F258 L261 L265I231-L246 HydrophobicContact CD1-CD1 3.93Å; I231-L246 HydrophobicContact CD1-CD2 4.3Å; V238-L246 HydrophobicContact CG1-CD1 3.98Å; Q242-L246 WeakPolarHBondContact O-CB 3.46Å; Q242-L246 VanDerWaalsContact O-CG 3.3Å; Q242-L246 WeakPolarHBondContact O-CG 3.48Å; Q242-L246 PolarHBondContact O-N 2.8Å; L246-S248 VanDerWaalsContact C-N 3.35Å; L246-S248 PolarHBondContact O-N 2.93Å; L246-L249 PolarHBondContact O-N 2.66Å; L246-Q250 WeakPolarHBondContact O-CB 3.02Å; L246-Q250 PolarHBondContact O-N 2.65Å; L246-F258 HydrophobicContact CB-CD2 4.27Å; L246-F258 HydrophobicContact CB-CE2 3.74Å; L246-F258 HydrophobicContact CB-CZ 4.36Å; L246-F258 HydrophobicContact CD2-CD1 4.21Å; L246-F258 HydrophobicContact CD2-CD2 3.73Å; L246-F258 HydrophobicContact CD2-CE1 4.07Å; L246-F258 HydrophobicContact CD2-CE2 3.59Å; L246-F258 HydrophobicContact CD2-CG 4.04Å; L246-F258 HydrophobicContact CD2-CZ 3.76Å; L246-F258 HydrophobicContact CG-CE2 4.25Å; L246-F258 WeakPolarHBondContact O-CD2 3.37Å; L246-F258 WeakPolarHBondContact O-CE2 3.3Å; L246-L261 HydrophobicContact CD2-CB 4.29Å; L246-L261 HydrophobicContact CD2-CD2 3.75Å; L246-L261 HydrophobicContact CD2-CG 4.01Å; L246-L261 HydrophobicContact CG-CD2 3.73Å; L246-L261 HydrophobicContact CG-CG 4.33Å; L246-L265 HydrophobicContact CD1-CD1 3.88Å
247K97.3Very high97.5Very high110 Ų11085.2 Ų85.248%0.47841%0.414SS..Hα-helixtrans-60.7-43.3176-170.2178.5-179.3-176.70112H243 Q245 L249 Q250 E251H243-K247 WeakPolarHBondContact O-CB 3.38Å; H243-K247 PolarHBondContact O-N 2.9Å; Q245-K247 VanDerWaalsContact C-N 3.33Å; Q245-K247 PolarHBondContact O-N 2.96Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.32Å; K247-Q250 WeakPolarHBondContact O-CB 3.49Å; K247-Q250 PolarHBondContact O-N 3.01Å; K247-E251 VanDerWaalsContact CE-OE1 3.25Å; K247-E251 WeakPolarHBondContact CE-OE1 3.48Å; K247-E251 WeakPolarHBondContact O-CG 3.46Å; K247-E251 PolarHBondContact O-N 2.94Å
248S98.3Very high97.6Very high42 Ų4281.5 Ų81.529%0.29440%0.395SS..Hα-helixtrans-63-39.6175.9-173.40000112.5R244 Q245 L246 E251 K252R244-S248 PolarHBondContact O-N 3.43Å; Q245-S248 WeakPolarHBondContact O-CB 3.31Å; Q245-S248 PolarHBondContact O-N 2.95Å; Q245-S248 VanDerWaalsContact O-N 3.14Å; L246-S248 VanDerWaalsContact C-N 3.35Å; L246-S248 PolarHBondContact O-N 2.93Å; S248-E251 PolarHBondContact O-N 3.03Å; S248-K252 VanDerWaalsContact O-CG 3.26Å; S248-K252 WeakPolarHBondContact O-CG 3.32Å; S248-K252 PolarHBondContact O-N 3.05Å; S248-K252 VanDerWaalsContact O-N 3.11Å
249L98.4Very high97.7Very high32 Ų3279.3 Ų79.317%0.16838%0.382CS..Hα-helixtrans-66.8-39.4176.2-68.4170.5000111.8Q245 L246 K247 K252 G253 S254 E257 F258 L261Q245-L249 WeakPolarHBondContact O-CG 3.39Å; Q245-L249 PolarHBondContact O-N 3.12Å; L246-L249 PolarHBondContact O-N 2.66Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.32Å; L249-K252 PolarHBondContact O-N 2.72Å; L249-G253 PolarHBondContact O-N 3.41Å; L249-G253 VanDerWaalsContact O-N 3.11Å; L249-S254 PolarHBondContact O-N 3.39Å; L249-E257 HydrophobicContact CD1-CB 4.41Å; L249-E257 HydrophobicContact CD2-CB 3.84Å; L249-F258 HydrophobicContact CB-CB 4.2Å; L249-F258 HydrophobicContact CB-CD2 4.11Å; L249-L261 HydrophobicContact CD1-CB 4.27Å; L249-L261 HydrophobicContact CD1-CD2 3.93Å
250Q96.8Very high97.8Very high80 Ų8079.3 Ų79.337%0.37438%0.379SS..Hα-helixtrans-61.8-47.7174.1174.7172.622.900111.7Y224 L246 K247 K252 G253 F258Y224-Q250 WeakPolarHBondContact OH-CG 3.38Å; L246-Q250 WeakPolarHBondContact O-CB 3.02Å; L246-Q250 PolarHBondContact O-N 2.65Å; K247-Q250 WeakPolarHBondContact O-CB 3.49Å; K247-Q250 PolarHBondContact O-N 3.01Å; Q250-K252 VanDerWaalsContact C-N 3.25Å; Q250-K252 PolarHBondContact O-N 2.75Å; Q250-G253 PolarHBondContact O-N 3.17Å; Q250-F258 HydrophobicContact CB-CD2 4.45Å; Q250-F258 HydrophobicContact CB-CE2 4.31Å
251E97.1Very high97.9Very high137 Ų13772 Ų7264%0.6435%0.348SS*.Hα-helixtrans-61.2-33.1177.3-72.8168-178.600112.5K247 S248 G253K247-E251 VanDerWaalsContact CE-OE1 3.25Å; K247-E251 WeakPolarHBondContact CE-OE1 3.48Å; K247-E251 WeakPolarHBondContact O-CG 3.46Å; K247-E251 PolarHBondContact O-N 2.94Å; S248-E251 PolarHBondContact O-N 3.03Å; E251-G253 VanDerWaalsContact C-N 3.34Å
252K97.4Very high97.9Very high148 Ų14867.9 Ų67.964%0.64333%0.326SS*.THydrogen-bonded Turntrans-80.3-11.5175.7-70171.4-175.61740113.9S248 L249 Q250 S254S248-K252 VanDerWaalsContact O-CG 3.26Å; S248-K252 WeakPolarHBondContact O-CG 3.32Å; S248-K252 PolarHBondContact O-N 3.05Å; S248-K252 VanDerWaalsContact O-N 3.11Å; L249-K252 PolarHBondContact O-N 2.72Å; Q250-K252 VanDerWaalsContact C-N 3.25Å; Q250-K252 PolarHBondContact O-N 2.75Å; K252-S254 PolarHBondContact O-N 3.42Å
253G96.4Very high97.9Very high48 Ų4867.6 Ų67.650%0.49533%0.325SS..THydrogen-bonded Turntrans70.417.1-172.400000114.3L249 Q250 E251 K255L249-G253 PolarHBondContact O-N 3.41Å; L249-G253 VanDerWaalsContact O-N 3.11Å; Q250-G253 PolarHBondContact O-N 3.17Å; E251-G253 VanDerWaalsContact C-N 3.34Å; G253-K255 VanDerWaalsContact C-N 3.27Å; G253-K255 PolarHBondContact O-N 2.93Å
254S97.8Very high98Very high34 Ų3467.5 Ų67.524%0.23833%0.332CS..  trans-78.568.7-178.2-63.60000111.5L249 K252 K256 E257 F258L249-S254 PolarHBondContact O-N 3.39Å; K252-S254 PolarHBondContact O-N 3.42Å; S254-K256 PolarHBondContact O-N 2.96Å; S254-E257 WeakPolarHBondContact CB-OE2 3.23Å; S254-F258 WeakPolarHBondContact O-CB 3.3Å; S254-F258 PolarHBondContact O-N 3.04Å
255K98.5Very high98Very high68 Ų6859.8 Ų59.830%0.29630%0.303SS..Hα-helixtrans-63.6-39.1-172.1-64-173.7-175.9-173.80113.5L220 N221 Y224 G253 F258 I259L220-K255 HydrophobicContact CD1-CB 4.25Å; L220-K255 HydrophobicContact CD2-CB 4.31Å; L220-K255 HydrophobicContact CG-CB 4.2Å; N221-K255 WeakPolarHBondContact OD1-CD 3.28Å; N221-K255 PolarHBondContact OD1-NZ 2.69Å; Y224-K255 HydrophobicContact CD1-CD 3.84Å; Y224-K255 HydrophobicContact CD1-CG 4.04Å; Y224-K255 HydrophobicContact CD2-CB 3.81Å; Y224-K255 HydrophobicContact CD2-CD 4.37Å; Y224-K255 HydrophobicContact CD2-CG 3.77Å; Y224-K255 HydrophobicContact CE1-CD 4.39Å; Y224-K255 HydrophobicContact CE1-CG 4.33Å; Y224-K255 HydrophobicContact CE2-CB 4.44Å; Y224-K255 HydrophobicContact CE2-CG 4.08Å; Y224-K255 HydrophobicContact CG-CB 3.98Å; Y224-K255 HydrophobicContact CG-CD 3.83Å; Y224-K255 HydrophobicContact CG-CG 3.75Å; G253-K255 VanDerWaalsContact C-N 3.27Å; G253-K255 PolarHBondContact O-N 2.93Å; K255-F258 WeakPolarHBondContact O-CB 3.19Å; K255-F258 PolarHBondContact O-N 3.47Å; K255-I259 WeakPolarHBondContact O-CG1 3.04Å; K255-I259 PolarHBondContact O-N 3.33Å
256K98.3Very high97.9Very high79 Ų7959.2 Ų59.234%0.34330%0.299SS..Hα-helixtrans-67.9-46.4-178.3-169169.3-174.2164.20110.4M214 D215 L220 S254 F258 I259 H260M214-K256 HydrophobicContact SD-CG 4.15Å; D215-K256 IonicContact OD1-NZ 3.57Å; L220-K256 HydrophobicContact CD1-CB 4.22Å; S254-K256 PolarHBondContact O-N 2.96Å; K256-F258 VanDerWaalsContact C-N 3.31Å; K256-F258 PolarHBondContact O-N 3.49Å; K256-I259 PolarHBondContact O-N 2.84Å; K256-H260 PolarHBondContact O-CD2 3.4Å; K256-H260 PolarHBondContact O-N 3.2Å
257E98.5Very high97.9Very high102 Ų10260.1 Ų60.148%0.47730%0.302SS..Hα-helixtrans-63.9-36.2174.6-63.176.6-170.500111.9L249 S254 H260 L261L249-E257 HydrophobicContact CD1-CB 4.41Å; L249-E257 HydrophobicContact CD2-CB 3.84Å; S254-E257 WeakPolarHBondContact CB-OE2 3.23Å; E257-H260 PolarHBondContact O-N 3.08Å; E257-L261 PolarHBondContact O-N 2.93Å
258F98.7Very high98Very high3 Ų355.5 Ų55.51%0.01328%0.282CS..Hα-helixtrans-61-46.8173.9-175.2-79.1000111.4Y224 T227 L228 I231 L246 L249 Q250 S254 K255 K256 L261 G262Y224-F258 HydrophobicContact CD2-CB 4.14Å; Y224-F258 AromaticContact CD2-CD1 3.73Å; Y224-F258 HydrophobicContact CD2-CD1 3.73Å; Y224-F258 HydrophobicContact CD2-CE1 4.32Å; Y224-F258 HydrophobicContact CD2-CG 4Å; Y224-F258 HydrophobicContact CE2-CB 3.93Å; Y224-F258 AromaticContact CE2-CD1 3.61Å; Y224-F258 HydrophobicContact CE2-CD1 3.61Å; Y224-F258 AromaticContact CE2-CD2 3.95Å; Y224-F258 HydrophobicContact CE2-CD2 3.95Å; Y224-F258 HydrophobicContact CE2-CE1 4.04Å; Y224-F258 HydrophobicContact CE2-CE2 4.33Å; Y224-F258 AromaticContact CE2-CG 3.57Å; Y224-F258 HydrophobicContact CE2-CG 3.57Å; Y224-F258 HydrophobicContact CE2-CZ 4.38Å; T227-F258 HydrophobicContact CG2-CD1 4.33Å; T227-F258 HydrophobicContact CG2-CE1 3.92Å; L228-F258 HydrophobicContact CB-CE1 4.49Å; L228-F258 HydrophobicContact CB-CZ 4.44Å; L228-F258 HydrophobicContact CD1-CZ 3.94Å; I231-F258 HydrophobicContact CD1-CE1 3.98Å; I231-F258 HydrophobicContact CD1-CZ 3.92Å; L246-F258 HydrophobicContact CB-CD2 4.27Å; L246-F258 HydrophobicContact CB-CE2 3.74Å; L246-F258 HydrophobicContact CB-CZ 4.36Å; L246-F258 HydrophobicContact CD2-CD1 4.21Å; L246-F258 HydrophobicContact CD2-CD2 3.73Å; L246-F258 HydrophobicContact CD2-CE1 4.07Å; L246-F258 HydrophobicContact CD2-CE2 3.59Å; L246-F258 HydrophobicContact CD2-CG 4.04Å; L246-F258 HydrophobicContact CD2-CZ 3.76Å; L246-F258 HydrophobicContact CG-CE2 4.25Å; L246-F258 WeakPolarHBondContact O-CD2 3.37Å; L246-F258 WeakPolarHBondContact O-CE2 3.3Å; L249-F258 HydrophobicContact CB-CB 4.2Å; L249-F258 HydrophobicContact CB-CD2 4.11Å; Q250-F258 HydrophobicContact CB-CD2 4.45Å; Q250-F258 HydrophobicContact CB-CE2 4.31Å; S254-F258 WeakPolarHBondContact O-CB 3.3Å; S254-F258 PolarHBondContact O-N 3.04Å; K255-F258 WeakPolarHBondContact O-CB 3.19Å; K255-F258 PolarHBondContact O-N 3.47Å; K256-F258 VanDerWaalsContact C-N 3.31Å; K256-F258 PolarHBondContact O-N 3.49Å; F258-L261 PolarHBondContact O-N 3.11Å; F258-G262 PolarHBondContact O-N 3.49Å
259I98.6Very high97.9Very high0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-65.8-42.5176.9-66.1161.8000110.5M214 L220 L223 K255 K256 L261 G262 Q263M214-I259 HydrophobicContact CE-CG2 4.4Å; M214-I259 HydrophobicContact CG-CD1 4.12Å; M214-I259 HydrophobicContact SD-CB 3.87Å; M214-I259 HydrophobicContact SD-CD1 3.81Å; M214-I259 HydrophobicContact SD-CG1 4.49Å; M214-I259 HydrophobicContact SD-CG2 3.62Å; L220-I259 HydrophobicContact CD1-CD1 3.59Å; L223-I259 HydrophobicContact CB-CD1 3.88Å; K255-I259 WeakPolarHBondContact O-CG1 3.04Å; K255-I259 PolarHBondContact O-N 3.33Å; K256-I259 PolarHBondContact O-N 2.84Å; I259-L261 VanDerWaalsContact C-N 3.34Å; I259-L261 PolarHBondContact O-N 3.41Å; I259-G262 CarbonylContact O-C 3.58Å; I259-G262 VanDerWaalsContact O-CA 3.24Å; I259-G262 WeakPolarHBondContact O-CA 3.47Å; I259-G262 PolarHBondContact O-N 3.45Å; I259-Q263 HydrophobicContact CG2-CG 4.38Å; I259-Q263 WeakPolarHBondContact O-CG 3.38Å; I259-Q263 PolarHBondContact O-N 2.92Å
260H98.6Very high97.9Very high83 Ų8353.8 Ų53.838%0.38427%0.27SS..Hα-helixtrans-60.1-41.4176.1-74.8-46.1000112.7K256 E257 G262 Q263K256-H260 PolarHBondContact O-CD2 3.4Å; K256-H260 PolarHBondContact O-N 3.2Å; E257-H260 PolarHBondContact O-N 3.08Å; H260-G262 VanDerWaalsContact C-N 3.33Å; H260-Q263 PolarHBondContact ND1-OE1 3.48Å; H260-Q263 PolarHBondContact O-N 3.4Å
261L98.5Very high97.9Very high30 Ų3050.3 Ų50.316%0.15725%0.254CS..Hα-helixtrans-62.3-44.6170.5179.756.7000110.4Q245 L246 L249 E257 F258 I259 Q263 T264 L265Q245-L261 HydrophobicContact CB-CD2 3.71Å; L246-L261 HydrophobicContact CD2-CB 4.29Å; L246-L261 HydrophobicContact CD2-CD2 3.75Å; L246-L261 HydrophobicContact CD2-CG 4.01Å; L246-L261 HydrophobicContact CG-CD2 3.73Å; L246-L261 HydrophobicContact CG-CG 4.33Å; L249-L261 HydrophobicContact CD1-CB 4.27Å; L249-L261 HydrophobicContact CD1-CD2 3.93Å; E257-L261 PolarHBondContact O-N 2.93Å; F258-L261 PolarHBondContact O-N 3.11Å; I259-L261 VanDerWaalsContact C-N 3.34Å; I259-L261 PolarHBondContact O-N 3.41Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-Q263 PolarHBondContact O-N 2.81Å; L261-T264 WeakPolarHBondContact O-CB 3.32Å; L261-T264 PolarHBondContact O-N 3.42Å; L261-T264 PolarHBondContact O-OG1 3.13Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å
262G98.1Very high97.9Very high0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-49.6-47.4173.500000113.9F258 I259 H260 T264 L265 Y268F258-G262 PolarHBondContact O-N 3.49Å; I259-G262 CarbonylContact O-C 3.58Å; I259-G262 VanDerWaalsContact O-CA 3.24Å; I259-G262 WeakPolarHBondContact O-CA 3.47Å; I259-G262 PolarHBondContact O-N 3.45Å; H260-G262 VanDerWaalsContact C-N 3.33Å; G262-T264 PolarHBondContact O-N 3.07Å; G262-T264 VanDerWaalsContact O-N 3.09Å; G262-L265 VanDerWaalsContact O-CB 3.29Å; G262-L265 WeakPolarHBondContact O-CB 3.45Å; G262-L265 WeakPolarHBondContact O-CG 3.36Å; G262-L265 PolarHBondContact O-N 3.01Å; G262-Y268 WeakPolarHBondContact O-CB 3.37Å; G262-Y268 VanDerWaalsContact O-CD2 3.25Å; G262-Y268 WeakPolarHBondContact O-CD2 3.48Å
263Q98.3Very high97.9Very high40 Ų4039.9 Ų39.919%0.18721%0.207CC..Hα-helixtrans-58.8-22.1178.6-71.3172.6-34.100113.5M207 D210 I259 H260 L261 Y268M207-Q263 HydrophobicContact SD-CB 4.37Å; D210-Q263 VanDerWaalsContact CB-NE2 3.34Å; D210-Q263 PolarHBondContact OD2-NE2 3.23Å; I259-Q263 HydrophobicContact CG2-CG 4.38Å; I259-Q263 WeakPolarHBondContact O-CG 3.38Å; I259-Q263 PolarHBondContact O-N 2.92Å; H260-Q263 PolarHBondContact ND1-OE1 3.48Å; H260-Q263 PolarHBondContact O-N 3.4Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-Q263 PolarHBondContact O-N 2.81Å; Q263-Y268 HydrophobicContact CB-CD1 4.42Å; Q263-Y268 HydrophobicContact CB-CE1 4.47Å; Q263-Y268 HydrophobicContact CG-CD1 4.07Å; Q263-Y268 HydrophobicContact CG-CE1 3.64Å; Q263-Y268 HydrophobicContact CG-CE2 4.41Å
264T97.7Very high97.9Very high99 Ų9940.3 Ų40.361%0.60720%0.198SC*.THydrogen-bonded Turntrans-87.6-8176.174.60000113.8L261 G262L261-T264 WeakPolarHBondContact O-CB 3.32Å; L261-T264 PolarHBondContact O-N 3.42Å; L261-T264 PolarHBondContact O-OG1 3.13Å; G262-T264 PolarHBondContact O-N 3.07Å; G262-T264 VanDerWaalsContact O-N 3.09Å
265L98.3Very high97.8Very high9 Ų943.4 Ų43.45%0.04722%0.217CC..SBendtrans-87.1149.9-173.8-54.1173.2000111.4I231 I236 V238 Q242 L246 L261 G262 Y267 Y268I231-L265 HydrophobicContact CD1-CD1 4.39Å; I236-L265 HydrophobicContact CG2-CB 3.53Å; I236-L265 HydrophobicContact CG2-CD1 3.91Å; I236-L265 HydrophobicContact CG2-CG 4.35Å; V238-L265 HydrophobicContact CG1-CD1 3.77Å; Q242-L265 HydrophobicContact CB-CD2 4.14Å; Q242-L265 HydrophobicContact CG-CD2 3.9Å; L246-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; G262-L265 VanDerWaalsContact O-CB 3.29Å; G262-L265 WeakPolarHBondContact O-CB 3.45Å; G262-L265 WeakPolarHBondContact O-CG 3.36Å; G262-L265 PolarHBondContact O-N 3.01Å; L265-Y267 PolarHBondContact O-N 3.12Å; L265-Y268 PolarHBondContact O-N 2.98Å
266K96.9Very high97.7Very high94 Ų9440.6 Ų40.641%0.40921%0.206SC..BIsolated β-bridgetrans-65.2131.8179.7-174.7170.1-176.1177.90110L237 Y268 E309L237-K266 HydrophobicContact CB-CB 4.33Å; L237-K266 HydrophobicContact CD1-CD 4.27Å; L237-K266 PolarHBondContact N-O 3.05Å; K266-Y268 VanDerWaalsContact C-N 3.31Å; K266-E309 VanDerWaalsContact CE-OE1 3.32Å; K266-E309 WeakPolarHBondContact CE-OE1 3.17Å; K266-E309 IonicContact NZ-OE1 2.63Å; K266-E309 PolarHBondContact NZ-OE1 3.45Å; K266-E309 IonicContact NZ-OE2 2.68Å; K266-E309 PolarHBondContact NZ-OE2 2.94Å
267Y97.9Very high97.7Very high25 Ų2539 Ų3910%0.09820%0.202CC..THydrogen-bonded Turntrans68.516.5-176.6-51.7-44.9000116.3W235 L237 L265 G269 Y270 N297 E309W235-Y267 VanDerWaalsContact O-CB 3.3Å; W235-Y267 WeakPolarHBondContact O-CB 3.35Å; L237-Y267 HydrophobicContact CD1-CD2 3.84Å; L237-Y267 HydrophobicContact CD1-CE2 3.59Å; L237-Y267 HydrophobicContact CG-CD2 3.82Å; L237-Y267 HydrophobicContact CG-CE2 4.11Å; L265-Y267 PolarHBondContact O-N 3.12Å; Y267-G269 PolarHBondContact O-N 2.9Å; Y267-Y270 VanDerWaalsContact CA-CD2 3.46Å; Y267-Y270 AromaticContact CD1-CD1 3.98Å; Y267-Y270 HydrophobicContact CD1-CD1 3.98Å; Y267-Y270 HydrophobicContact CD1-CD2 4.32Å; Y267-Y270 AromaticContact CD1-CE1 3.97Å; Y267-Y270 HydrophobicContact CD1-CE1 3.97Å; Y267-Y270 HydrophobicContact CD1-CE2 4.31Å; Y267-Y270 HydrophobicContact CD1-CG 4.14Å; Y267-Y270 HydrophobicContact CE1-CE1 4.45Å; Y267-Y270 WeakPolarHBondContact O-CB 3.35Å; Y267-Y270 PolarHBondContact O-N 3.11Å; Y267-Y270 VanDerWaalsContact O-N 3.08Å; Y267-N297 HydrophobicContact CE1-CB 4.2Å; Y267-N297 PolarHBondContact OH-OD1 2.85Å; Y267-E309 VanDerWaalsContact OH-CD 3.32Å; Y267-E309 PolarHBondContact OH-OE1 3Å
268Y98.4Very high97.6Very high13 Ų1334.2 Ų34.25%0.05118%0.181CC..THydrogen-bonded Turntrans-56.4130.2165.6-178.4-88.4000111.1M207 D210 T227 I236 G262 Q263 L265 K266 Y270M207-Y268 HydrophobicContact CB-CE1 4.35Å; M207-Y268 HydrophobicContact CE-CD1 4.48Å; D210-Y268 VanDerWaalsContact OD2-CE1 3.3Å; D210-Y268 WeakPolarHBondContact OD2-CE1 3.44Å; D210-Y268 PolarHBondContact OD2-OH 3.11Å; T227-Y268 HydrophobicContact CG2-CD2 4.19Å; T227-Y268 HydrophobicContact CG2-CE2 3.76Å; I236-Y268 HydrophobicContact CD1-CD2 3.8Å; G262-Y268 WeakPolarHBondContact O-CB 3.37Å; G262-Y268 VanDerWaalsContact O-CD2 3.25Å; G262-Y268 WeakPolarHBondContact O-CD2 3.48Å; Q263-Y268 HydrophobicContact CB-CD1 4.42Å; Q263-Y268 HydrophobicContact CB-CE1 4.47Å; Q263-Y268 HydrophobicContact CG-CD1 4.07Å; Q263-Y268 HydrophobicContact CG-CE1 3.64Å; Q263-Y268 HydrophobicContact CG-CE2 4.41Å; L265-Y268 PolarHBondContact O-N 2.98Å; K266-Y268 VanDerWaalsContact C-N 3.31Å; Y268-Y270 VanDerWaalsContact C-N 3.28Å; Y268-Y270 WeakPolarHBondContact O-CD2 2.99Å; Y268-Y270 PolarHBondContact O-N 3.39Å
269G97.1Very high97.5Very high11 Ų1136.3 Ų36.311%0.11319%0.192CC..THydrogen-bonded Turntrans78.55.2-178.300000115Y267Y267-G269 PolarHBondContact O-N 2.9Å
270Y98.3Very high97.3Very high26 Ų2638.4 Ų38.410%0.10220%0.201CC..  trans-86.6151.9174.3-73.2-121.3000111.1Y267 Y268 A291 N293 E295 N297Y267-Y270 VanDerWaalsContact CA-CD2 3.46Å; Y267-Y270 AromaticContact CD1-CD1 3.98Å; Y267-Y270 HydrophobicContact CD1-CD1 3.98Å; Y267-Y270 HydrophobicContact CD1-CD2 4.32Å; Y267-Y270 AromaticContact CD1-CE1 3.97Å; Y267-Y270 HydrophobicContact CD1-CE1 3.97Å; Y267-Y270 HydrophobicContact CD1-CE2 4.31Å; Y267-Y270 HydrophobicContact CD1-CG 4.14Å; Y267-Y270 HydrophobicContact CE1-CE1 4.45Å; Y267-Y270 WeakPolarHBondContact O-CB 3.35Å; Y267-Y270 PolarHBondContact O-N 3.11Å; Y267-Y270 VanDerWaalsContact O-N 3.08Å; Y268-Y270 VanDerWaalsContact C-N 3.28Å; Y268-Y270 WeakPolarHBondContact O-CD2 2.99Å; Y268-Y270 PolarHBondContact O-N 3.39Å; Y270-A291 CarbonylContact C-O 3.53Å; Y270-A291 WeakPolarHBondContact CA-O 3.35Å; Y270-N293 HydrophobicContact CE2-CB 3.66Å; Y270-N293 VanDerWaalsContact OH-CB 3.27Å; Y270-N293 WeakPolarHBondContact OH-CB 3.48Å; Y270-E295 HydrophobicContact CE1-CG 4.07Å; Y270-N297 HydrophobicContact CE1-CB 4.2Å
271L97.4Very high97.1Very high8 Ų837.5 Ų37.54%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-104.5121.1165-167.9146.4000108.3F174 W235 F273 S290 A291 M371F174-L271 HydrophobicContact CB-CD2 4.41Å; F174-L271 HydrophobicContact CD1-CD1 4.04Å; F174-L271 HydrophobicContact CE1-CD1 4.42Å; F174-L271 HydrophobicContact CG-CD1 4.19Å; W235-L271 HydrophobicContact CH2-CG 4.27Å; W235-L271 HydrophobicContact CZ3-CB 4.5Å; W235-L271 HydrophobicContact CZ3-CG 4Å; L271-F273 HydrophobicContact CD2-CD1 3.96Å; L271-F273 HydrophobicContact CD2-CD2 4.47Å; L271-F273 HydrophobicContact CD2-CE1 3.42Å; L271-F273 VanDerWaalsContact CD2-CE1 3.42Å; L271-F273 HydrophobicContact CD2-CE2 3.99Å; L271-F273 HydrophobicContact CD2-CG 4.46Å; L271-F273 HydrophobicContact CD2-CZ 3.44Å; L271-F273 VanDerWaalsContact CD2-CZ 3.44Å; L271-S290 CarbonylContact O-C 3.26Å; L271-S290 VanDerWaalsContact O-CA 3.31Å; L271-S290 WeakPolarHBondContact O-CA 3.44Å; L271-A291 PolarHBondContact N-O 2.87Å; L271-A291 PolarHBondContact O-N 2.79Å; L271-M371 HydrophobicContact CD1-CE 3.6Å; L271-M371 HydrophobicContact CD2-CE 4.41Å
272K97Very high96.7Very high61 Ų6141.3 Ų41.327%0.26522%0.219SC..EExtended strand (participates in β ladder)trans-96138.6-178.6-172.3178.3-179.3-1740110G234 W235 I288G234-K272 PolarHBondContact O-NZ 3.48Å; G234-K272 VanDerWaalsContact O-NZ 3.14Å; W235-K272 HydrophobicContact CB-CB 4.48Å; W235-K272 HydrophobicContact CD2-CB 3.71Å; W235-K272 HydrophobicContact CE3-CB 4.14Å; W235-K272 HydrophobicContact CG-CB 3.89Å; W235-K272 HydrophobicContact CG-CD 4.13Å; W235-K272 WeakPolarHBondContact CH2-O 3.41Å; W235-K272 HydrophobicContact CZ2-CB 4.32Å; W235-K272 WeakPolarHBondContact CZ2-O 3.35Å; K272-I288 HydrophobicContact CD-CG2 4.41Å; K272-I288 HydrophobicContact CG-CG2 3.98Å
273F97.3Very high96.5Very high5 Ų550.5 Ų50.52%0.02226%0.259CS..PPolyproline II helixtrans-103.8161.9179.2-60.8-80.2000111.4L271 V289 A291 Q368 M371 M372L271-F273 HydrophobicContact CD2-CD1 3.96Å; L271-F273 HydrophobicContact CD2-CD2 4.47Å; L271-F273 HydrophobicContact CD2-CE1 3.42Å; L271-F273 VanDerWaalsContact CD2-CE1 3.42Å; L271-F273 HydrophobicContact CD2-CE2 3.99Å; L271-F273 HydrophobicContact CD2-CG 4.46Å; L271-F273 HydrophobicContact CD2-CZ 3.44Å; L271-F273 VanDerWaalsContact CD2-CZ 3.44Å; F273-V289 HydrophobicContact CD2-CB 4.16Å; F273-V289 HydrophobicContact CD2-CG1 4.12Å; F273-V289 WeakPolarHBondContact CD2-O 3.43Å; F273-V289 PolarHBondContact N-O 2.82Å; F273-A291 HydrophobicContact CE2-CB 3.84Å; F273-A291 HydrophobicContact CZ-CB 4.39Å; F273-Q368 HydrophobicContact CD1-CB 3.83Å; F273-Q368 HydrophobicContact CD1-CG 4.44Å; F273-Q368 HydrophobicContact CE1-CB 4.41Å; F273-M371 HydrophobicContact CE1-CB 3.92Å; F273-M371 HydrophobicContact CE1-CG 3.66Å; F273-M371 HydrophobicContact CZ-CG 4.36Å; F273-M372 HydrophobicContact CB-CE 3.55Å; F273-M372 HydrophobicContact CD1-CE 4.01Å; F273-M372 HydrophobicContact CD1-CG 3.86Å; F273-M372 HydrophobicContact CD2-CE 3.87Å; F273-M372 HydrophobicContact CD2-CG 3.79Å; F273-M372 HydrophobicContact CE1-CB 4.48Å; F273-M372 HydrophobicContact CE1-CG 3.64Å; F273-M372 HydrophobicContact CE2-CB 4.4Å; F273-M372 HydrophobicContact CE2-CG 3.59Å; F273-M372 HydrophobicContact CG-CE 3.53Å; F273-M372 HydrophobicContact CG-CG 3.93Å; F273-M372 HydrophobicContact CZ-CB 4.12Å; F273-M372 HydrophobicContact CZ-CG 3.5Å
274D95.6Very high96.2Very high57 Ų5750.8 Ų50.831%0.30527%0.273SS..PPolyproline II helixtrans-63.7153.1175.9-66.8-21.3000110.9T173 C276T173-D274 WeakPolarHBondContact CB-OD2 3.44Å; T173-D274 WeakPolarHBondContact CG2-OD2 3.35Å; T173-D274 PolarHBondContact OG1-OD2 2.68Å; D274-C276 PolarHBondContact O-N 3.33Å
275P95.9Very high96.1Very high99 Ų9946.4 Ų46.464%0.64325%0.247SC*.SBendtrans-51.9132.2173.3-25.134.3000111.5I288P275-I288 HydrophobicContact CB-CG1 4.41Å; P275-I288 HydrophobicContact CG-CG1 4.25Å
276C97.1Very high96Very high9 Ų950.7 Ų50.76%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-147.7-168.2-175.562.30000110.9D274 Q286 V287 T365D274-C276 PolarHBondContact O-N 3.33Å; C276-Q286 WeakPolarHBondContact O-CA 3.43Å; C276-V287 PolarHBondContact N-O 2.89Å; C276-V287 PolarHBondContact O-N 2.74Å; C276-T365 WeakPolarHBondContact CB-O 3.27Å
277V97.1Very high96.1Very high44 Ų4446.3 Ų46.327%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-121143.2-173.8-1770000110.7C285 I364 T365V277-C285 WeakPolarHBondContact CA-O 3.31Å; V277-I364 CarbonylContact O-C 3.58Å; V277-I364 WeakPolarHBondContact O-CA 3.42Å; V277-T365 PolarHBondContact N-O 2.84Å; V277-T365 PolarHBondContact O-N 2.75Å
278T97.5Very high96Very high3 Ų347.2 Ų47.22%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-131.5161.9173.4-176.60000112F280 G284 C285 V287 F298 T363T278-F280 VanDerWaalsContact C-N 3.34Å; T278-F280 WeakPolarHBondContact CG2-O 3.34Å; T278-F280 PolarHBondContact OG1-N 3.19Å; T278-G284 PolarHBondContact O-N 2.8Å; T278-C285 HydrophobicContact CG2-CB 4.16Å; T278-C285 PolarHBondContact N-O 2.68Å; T278-C285 PolarHBondContact O-N 2.92Å; T278-V287 HydrophobicContact CG2-CB 3.77Å; T278-V287 HydrophobicContact CG2-CG1 3.58Å; T278-V287 HydrophobicContact CG2-CG2 4.37Å; T278-F298 HydrophobicContact CG2-CD2 4.41Å; T278-F298 HydrophobicContact CG2-CE2 4.34Å; T278-T363 WeakPolarHBondContact CA-O 3.46Å; T278-T363 WeakPolarHBondContact CB-O 3.43Å; T278-T363 PolarHBondContact OG1-O 3.34Å
279D96Very high96Very high47 Ų4746.6 Ų46.625%0.25125%0.251SS..  trans-89.74.2169.565.82.7000114.6E282 K283 T363D279-E282 CarbonylContact C-O 3.51Å; D279-E282 VanDerWaalsContact C-O 3.23Å; D279-E282 CarbonylContact O-C 3.58Å; D279-E282 VanDerWaalsContact O-C 3.26Å; D279-K283 HydrophobicContact CB-CG 4.09Å; D279-T363 PolarHBondContact N-O 3.15Å; D279-T363 VanDerWaalsContact N-O 3.1Å; D279-T363 PolarHBondContact OD1-N 2.77Å; D279-T363 WeakPolarHBondContact OD2-CB 3.39Å; D279-T363 PolarHBondContact OD2-N 2.86Å; D279-T363 PolarHBondContact OD2-OG1 3.31Å
280F95.1Very high96.1Very high44 Ų4446.4 Ų46.419%0.19325%0.248CC..SBendtrans-121.3134.4-177.6-174.4-87.5000113T278 E282 F312 M354 V362T278-F280 VanDerWaalsContact C-N 3.34Å; T278-F280 WeakPolarHBondContact CG2-O 3.34Å; T278-F280 PolarHBondContact OG1-N 3.19Å; F280-E282 VanDerWaalsContact C-N 3.29Å; F280-F312 HydrophobicContact CD1-CE2 4.28Å; F280-F312 AromaticContact CD1-CZ 3.62Å; F280-F312 HydrophobicContact CD1-CZ 3.62Å; F280-F312 HydrophobicContact CE1-CE2 4.43Å; F280-F312 AromaticContact CE1-CZ 3.65Å; F280-F312 HydrophobicContact CE1-CZ 3.65Å; F280-F312 HydrophobicContact CG-CZ 4.09Å; F280-F312 HydrophobicContact CZ-CZ 4.16Å; F280-M354 HydrophobicContact CE2-CE 3.61Å; F280-M354 HydrophobicContact CZ-CE 4.01Å; F280-V362 HydrophobicContact CB-CG1 3.77Å; F280-V362 HydrophobicContact CB-CG2 4.34Å; F280-V362 HydrophobicContact CD2-CG2 4.18Å; F280-V362 HydrophobicContact CG-CG1 4.44Å; F280-V362 HydrophobicContact CG-CG2 4.37Å
281P92.8Very high96.1Very high63 Ų6345.1 Ų45.141%0.40924%0.243SC..SBendcis-76.3-14.7-0.632.4-34.7000113.2L302P281-L302 HydrophobicContact CG-CD2 3.59Å
282E91.8Very high96.1Very high111 Ų11144.8 Ų44.852%0.51924%0.241SC..SBendtrans-132.3156.6178.7-64.2173.5-157.300110D279 F280 G284 C285D279-E282 CarbonylContact C-O 3.51Å; D279-E282 VanDerWaalsContact C-O 3.23Å; D279-E282 CarbonylContact O-C 3.58Å; D279-E282 VanDerWaalsContact O-C 3.26Å; F280-E282 VanDerWaalsContact C-N 3.29Å; E282-G284 PolarHBondContact O-N 3.34Å; E282-C285 PolarHBondContact O-N 2.95Å; E282-C285 PolarHBondContact O-SG 2.63Å
283K93.1Very high96.1Very high192 Ų19245.8 Ų45.884%0.83525%0.249SC*.THydrogen-bonded Turntrans-64.3128.3-178.7-73.7-172.4178-176.40112D279D279-K283 HydrophobicContact CB-CG 4.09Å
284G92.1Very high96Very high47 Ų4747.4 Ų47.449%0.48526%0.258SS..THydrogen-bonded Turntrans88.29.817300000114.2T278 E282 Q286T278-G284 PolarHBondContact O-N 2.8Å; E282-G284 PolarHBondContact O-N 3.34Å; G284-Q286 PolarHBondContact O-N 3.49Å
285C95Very high96.1Very high7 Ų745.2 Ų45.25%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-62.1135.8174.8-72.60000111.1V277 T278 E282 V300V277-C285 WeakPolarHBondContact CA-O 3.31Å; T278-C285 HydrophobicContact CG2-CB 4.16Å; T278-C285 PolarHBondContact N-O 2.68Å; T278-C285 PolarHBondContact O-N 2.92Å; E282-C285 PolarHBondContact O-N 2.95Å; E282-C285 PolarHBondContact O-SG 2.63Å; C285-V300 HydrophobicContact CB-CG1 3.53Å
286Q97.1Very high96.3Very high98 Ų9840.5 Ų40.546%0.45822%0.216SC..EExtended strand (participates in β ladder)trans-73.3136.4169.7-62.4-64.2-4600108.8C276 G284 K301C276-Q286 WeakPolarHBondContact O-CA 3.43Å; G284-Q286 PolarHBondContact O-N 3.49Å; Q286-K301 HydrophobicContact CB-CB 4.2Å; Q286-K301 PolarHBondContact O-N 3.25Å
287V97.8Very high96.3Very high3 Ų340.2 Ų40.22%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-143144.1-176.763.10000111.1C276 T278 V289 F298 H299 V300C276-V287 PolarHBondContact N-O 2.89Å; C276-V287 PolarHBondContact O-N 2.74Å; T278-V287 HydrophobicContact CG2-CB 3.77Å; T278-V287 HydrophobicContact CG2-CG1 3.58Å; T278-V287 HydrophobicContact CG2-CG2 4.37Å; V287-V289 HydrophobicContact CG1-CG2 4.14Å; V287-V289 HydrophobicContact CG2-CG2 4Å; V287-F298 HydrophobicContact CG2-CB 3.89Å; V287-F298 HydrophobicContact CG2-CD2 3.77Å; V287-F298 HydrophobicContact CG2-CG 3.92Å; V287-H299 WeakPolarHBondContact CA-O 3.28Å; V287-V300 HydrophobicContact CB-CG2 4.36Å; V287-V300 HydrophobicContact CG2-CG2 3.87Å
288I97.4Very high96.4Very high44 Ų4438.2 Ų38.223%0.22620%0.201CC..EExtended strand (participates in β ladder)trans-105.4124.2161.3-62.2171.3000106.9K272 P275 H299K272-I288 HydrophobicContact CD-CG2 4.41Å; K272-I288 HydrophobicContact CG-CG2 3.98Å; P275-I288 HydrophobicContact CB-CG1 4.41Å; P275-I288 HydrophobicContact CG-CG1 4.25Å; I288-H299 HydrophobicContact CB-CB 4.38Å; I288-H299 PolarHBondContact N-O 3.1Å; I288-H299 PolarHBondContact O-N 3.14Å
289V98.4Very high96.4Very high0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-101.8141.5179.3-177.40000108.8F273 V287 L296 N297 F298 I364 M372F273-V289 HydrophobicContact CD2-CB 4.16Å; F273-V289 HydrophobicContact CD2-CG1 4.12Å; F273-V289 WeakPolarHBondContact CD2-O 3.43Å; F273-V289 PolarHBondContact N-O 2.82Å; V287-V289 HydrophobicContact CG1-CG2 4.14Å; V287-V289 HydrophobicContact CG2-CG2 4Å; V289-L296 HydrophobicContact CG1-CB 4.47Å; V289-L296 HydrophobicContact CG1-CD2 4.42Å; V289-N297 CarbonylContact C-O 3.53Å; V289-N297 WeakPolarHBondContact CA-O 3.44Å; V289-F298 HydrophobicContact CG1-CD1 4.32Å; V289-F298 HydrophobicContact CG1-CE1 4.18Å; V289-F298 HydrophobicContact CG2-CD1 4.27Å; V289-F298 HydrophobicContact CG2-CE1 4.21Å; V289-I364 HydrophobicContact CG1-CD1 4.42Å; V289-I364 HydrophobicContact CG2-CD1 4.12Å; V289-I364 HydrophobicContact CG2-CG2 4.32Å; V289-M372 HydrophobicContact CB-CE 3.97Å; V289-M372 HydrophobicContact CG1-CE 4.39Å; V289-M372 HydrophobicContact CG1-SD 4.47Å; V289-M372 HydrophobicContact CG2-CE 4.23Å
290S98.3Very high96.4Very high6 Ų639.7 Ų39.74%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-130.9132.7170.6-59.10000109.4L271 N297L271-S290 CarbonylContact O-C 3.26Å; L271-S290 VanDerWaalsContact O-CA 3.31Å; L271-S290 WeakPolarHBondContact O-CA 3.44Å; S290-N297 PolarHBondContact N-O 3.33Å; S290-N297 PolarHBondContact O-N 2.97Å
291A98.5Very high96.3Very high0 Ų041.1 Ų41.10%021%0.213CC..EExtended strand (participates in β ladder)trans-105.9131.4175.500000110.5W205 Y270 L271 F273 L296 C375 M379W205-A291 WeakPolarHBondContact CZ3-O 3.49Å; Y270-A291 CarbonylContact C-O 3.53Å; Y270-A291 WeakPolarHBondContact CA-O 3.35Å; L271-A291 PolarHBondContact N-O 2.87Å; L271-A291 PolarHBondContact O-N 2.79Å; F273-A291 HydrophobicContact CE2-CB 3.84Å; F273-A291 HydrophobicContact CZ-CB 4.39Å; A291-L296 HydrophobicContact CB-CD2 3.56Å; A291-C375 HydrophobicContact CB-CB 3.69Å; A291-M379 HydrophobicContact CB-CE 4.23Å
292G97.8Very high96.1Very high0 Ų038.9 Ų38.90%020%0.197CC..EExtended strand (participates in β ladder)trans168.4169177.900000110.9N294 E295G292-N294 PolarHBondContact O-N 2.89Å; G292-E295 PolarHBondContact N-O 3.34Å; G292-E295 VanDerWaalsContact N-O 3.1Å; G292-E295 WeakPolarHBondContact O-CG 3.46Å; G292-E295 PolarHBondContact O-N 3.3Å; G292-E295 VanDerWaalsContact O-O 3.07Å
293N95.8Very high95.7Very high82 Ų8238.2 Ų38.244%0.43920%0.203SC..THydrogen-bonded Turntrans49.438.2176.9-168.943.8000114.4Y270 E295Y270-N293 HydrophobicContact CE2-CB 3.66Å; Y270-N293 VanDerWaalsContact OH-CB 3.27Å; Y270-N293 WeakPolarHBondContact OH-CB 3.48Å; N293-E295 VanDerWaalsContact C-N 3.25Å; N293-E295 PolarHBondContact O-N 2.77Å
294N96.6Very high95.3Very high40 Ų4033.3 Ų33.321%0.21419%0.186CC..THydrogen-bonded Turntrans57.833.7-177.2-50-46.8000113.9G292 V314 M379 L383G292-N294 PolarHBondContact O-N 2.89Å; N294-V314 WeakPolarHBondContact O-CB 3.38Å; N294-V314 WeakPolarHBondContact O-CG2 3.32Å; N294-V314 PolarHBondContact O-N 3.12Å; N294-M379 VanDerWaalsContact CA-SD 3.59Å; N294-L383 HydrophobicContact CB-CD1 4.16Å
295E97.8Very high95.1Very high11 Ų1137.3 Ų37.35%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-145159.4175.764.6-178.7-110.500113.2Y270 G292 N293 N297 S311 F312 K313Y270-E295 HydrophobicContact CE1-CG 4.07Å; G292-E295 PolarHBondContact N-O 3.34Å; G292-E295 VanDerWaalsContact N-O 3.1Å; G292-E295 WeakPolarHBondContact O-CG 3.46Å; G292-E295 PolarHBondContact O-N 3.3Å; G292-E295 VanDerWaalsContact O-O 3.07Å; N293-E295 VanDerWaalsContact C-N 3.25Å; N293-E295 PolarHBondContact O-N 2.77Å; E295-N297 PolarHBondContact OE1-ND2 2.92Å; E295-S311 WeakPolarHBondContact OE1-CB 3.31Å; E295-S311 PolarHBondContact OE1-OG 3.41Å; E295-S311 PolarHBondContact OE2-OG 3.1Å; E295-F312 CarbonylContact C-O 3.54Å; E295-F312 WeakPolarHBondContact CA-O 3.34Å; E295-F312 WeakPolarHBondContact CB-O 3.24Å; E295-K313 HydrophobicContact CB-CD 4.01Å; E295-K313 IonicContact OE2-NZ 2.82Å; E295-K313 PolarHBondContact OE2-NZ 2.7Å
296L98.6Very high94.8Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-99.4118.2154.3-62.7-177.1000108.2V289 A291 F298 F312 M317 L348 F350 I364 L376 M379V289-L296 HydrophobicContact CG1-CB 4.47Å; V289-L296 HydrophobicContact CG1-CD2 4.42Å; A291-L296 HydrophobicContact CB-CD2 3.56Å; L296-F298 HydrophobicContact CB-CD1 4.37Å; L296-F298 HydrophobicContact CB-CE1 3.98Å; L296-F312 HydrophobicContact CB-CB 4.47Å; L296-F312 PolarHBondContact N-O 3.45Å; L296-F312 PolarHBondContact O-N 3.13Å; L296-M317 HydrophobicContact CB-CE 4.33Å; L296-M317 HydrophobicContact CD1-CE 4.04Å; L296-M317 HydrophobicContact CG-CE 4.04Å; L296-L348 HydrophobicContact CD1-CD2 4.44Å; L296-F350 HydrophobicContact CD1-CD1 4.38Å; L296-F350 HydrophobicContact CD1-CE1 4.09Å; L296-I364 HydrophobicContact CD1-CD1 4.42Å; L296-L376 HydrophobicContact CD1-CD1 4.2Å; L296-L376 HydrophobicContact CD1-CD2 3.92Å; L296-L376 HydrophobicContact CD1-CG 4.25Å; L296-L376 HydrophobicContact CD2-CD2 4.07Å; L296-L376 HydrophobicContact CD2-CG 4.49Å; L296-L376 HydrophobicContact CG-CD2 3.79Å; L296-L376 HydrophobicContact CG-CG 4.49Å; L296-M379 HydrophobicContact CD2-CE 4.47Å
297N98.4Very high94.6Very high3 Ų341.4 Ų41.42%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-95.2130.3173.5-171.7-76.1000109.6Y267 Y270 V289 S290 E295 E309 G310Y267-N297 HydrophobicContact CE1-CB 4.2Å; Y267-N297 PolarHBondContact OH-OD1 2.85Å; Y270-N297 HydrophobicContact CE1-CB 4.2Å; V289-N297 CarbonylContact C-O 3.53Å; V289-N297 WeakPolarHBondContact CA-O 3.44Å; S290-N297 PolarHBondContact N-O 3.33Å; S290-N297 PolarHBondContact O-N 2.97Å; E295-N297 PolarHBondContact OE1-ND2 2.92Å; N297-E309 PolarHBondContact ND2-OE1 2.91Å; N297-G310 CarbonylContact C-O 3.58Å; N297-G310 WeakPolarHBondContact CA-O 3.44Å
298F98.2Very high94.5Very high1 Ų147 Ų470%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-111.2124.3-178.9-80.339.9000108.7T278 V287 V289 L296 V300 E309 G310 F312 F350 V362 I364T278-F298 HydrophobicContact CG2-CD2 4.41Å; T278-F298 HydrophobicContact CG2-CE2 4.34Å; V287-F298 HydrophobicContact CG2-CB 3.89Å; V287-F298 HydrophobicContact CG2-CD2 3.77Å; V287-F298 HydrophobicContact CG2-CG 3.92Å; V289-F298 HydrophobicContact CG1-CD1 4.32Å; V289-F298 HydrophobicContact CG1-CE1 4.18Å; V289-F298 HydrophobicContact CG2-CD1 4.27Å; V289-F298 HydrophobicContact CG2-CE1 4.21Å; L296-F298 HydrophobicContact CB-CD1 4.37Å; L296-F298 HydrophobicContact CB-CE1 3.98Å; F298-V300 HydrophobicContact CB-CG2 3.84Å; F298-V300 HydrophobicContact CD2-CG2 4.15Å; F298-E309 CarbonylContact O-C 3.58Å; F298-E309 VanDerWaalsContact O-CA 3.26Å; F298-E309 WeakPolarHBondContact O-CA 3.5Å; F298-G310 PolarHBondContact N-O 3.49Å; F298-G310 PolarHBondContact O-N 2.81Å; F298-F312 HydrophobicContact CB-CE2 4.33Å; F298-F312 AromaticContact CD1-CD2 3.66Å; F298-F312 HydrophobicContact CD1-CD2 3.66Å; F298-F312 AromaticContact CD1-CE2 3.79Å; F298-F312 HydrophobicContact CD1-CE2 3.79Å; F298-F312 HydrophobicContact CD2-CD2 4.46Å; F298-F312 AromaticContact CD2-CE2 3.76Å; F298-F312 HydrophobicContact CD2-CE2 3.76Å; F298-F312 AromaticContact CE1-CD2 3.7Å; F298-F312 HydrophobicContact CE1-CD2 3.7Å; F298-F312 AromaticContact CE1-CE2 3.91Å; F298-F312 HydrophobicContact CE1-CE2 3.91Å; F298-F312 HydrophobicContact CE2-CD2 4.5Å; F298-F312 AromaticContact CE2-CE2 3.89Å; F298-F312 HydrophobicContact CE2-CE2 3.89Å; F298-F312 HydrophobicContact CG-CD2 4.06Å; F298-F312 AromaticContact CG-CE2 3.71Å; F298-F312 HydrophobicContact CG-CE2 3.71Å; F298-F312 HydrophobicContact CZ-CD2 4.13Å; F298-F312 AromaticContact CZ-CE2 3.95Å; F298-F312 HydrophobicContact CZ-CE2 3.95Å; F298-F350 HydrophobicContact CE1-CE1 4.34Å; F298-F350 HydrophobicContact CE1-CZ 4.25Å; F298-F350 AromaticContact CZ-CE1 3.9Å; F298-F350 HydrophobicContact CZ-CE1 3.9Å; F298-F350 AromaticContact CZ-CZ 3.9Å; F298-F350 HydrophobicContact CZ-CZ 3.9Å; F298-V362 HydrophobicContact CE2-CG1 4.02Å; F298-V362 HydrophobicContact CZ-CG1 4.11Å; F298-I364 HydrophobicContact CE1-CD1 3.94Å; F298-I364 HydrophobicContact CE1-CG1 4.46Å; F298-I364 HydrophobicContact CE2-CG1 4.15Å; F298-I364 HydrophobicContact CZ-CD1 3.55Å; F298-I364 HydrophobicContact CZ-CG1 3.61Å
299H97Very high94.3Very high74 Ų7449.4 Ų49.434%0.34325%0.246SC..EExtended strand (participates in β ladder)trans-105.392166.5-164.7-168.8000108.3V287 I288 M307 K308V287-H299 WeakPolarHBondContact CA-O 3.28Å; I288-H299 HydrophobicContact CB-CB 4.38Å; I288-H299 PolarHBondContact N-O 3.1Å; I288-H299 PolarHBondContact O-N 3.14Å; H299-M307 HydrophobicContact CB-CE 4.36Å; H299-M307 WeakPolarHBondContact CD2-CE 3.5Å; H299-M307 WeakPolarHBondContact NE2-CB 3.17Å; H299-M307 WeakPolarHBondContact NE2-CE 3.42Å; H299-K308 CarbonylContact C-O 3.54Å
300V96.3Very high94.2Very high7 Ų750.4 Ų50.44%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-92.5131.7-171.4-170.60000110.3C285 V287 F298 L302 M307 K308C285-V300 HydrophobicContact CB-CG1 3.53Å; V287-V300 HydrophobicContact CB-CG2 4.36Å; V287-V300 HydrophobicContact CG2-CG2 3.87Å; F298-V300 HydrophobicContact CB-CG2 3.84Å; F298-V300 HydrophobicContact CD2-CG2 4.15Å; V300-L302 HydrophobicContact CG1-CD2 4.45Å; V300-M307 CarbonylContact O-C 3.57Å; V300-M307 WeakPolarHBondContact O-CA 3.49Å; V300-K308 PolarHBondContact N-O 3.17Å; V300-K308 PolarHBondContact O-N 3.47Å
301K93.9Very high94.1Very high74 Ų7452.5 Ų52.532%0.32227%0.271SS..EExtended strand (participates in β ladder)trans-91.3113.2168.4-169.8179.5179.9-170.10109.3Q286 E305 M307Q286-K301 HydrophobicContact CB-CB 4.2Å; Q286-K301 PolarHBondContact O-N 3.25Å; K301-E305 VanDerWaalsContact CE-OE1 3.24Å; K301-E305 WeakPolarHBondContact CE-OE1 3.45Å; K301-E305 WeakPolarHBondContact CE-OE2 3.06Å; K301-E305 IonicContact NZ-OE1 3.01Å; K301-E305 PolarHBondContact NZ-OE1 2.94Å; K301-E305 VanDerWaalsContact NZ-OE1 3.12Å; K301-E305 IonicContact NZ-OE2 3.17Å; K301-E305 PolarHBondContact NZ-OE2 2.81Å; K301-M307 HydrophobicContact CB-CE 4.22Å; K301-M307 HydrophobicContact CB-SD 3.51Å; K301-M307 VanDerWaalsContact CB-SD 3.51Å; K301-M307 HydrophobicContact CD-SD 4.36Å; K301-M307 HydrophobicContact CG-SD 3.71Å
302L87.6Confident94.1Very high16 Ų1652.9 Ų52.98%0.08427%0.272CS..  trans-76.4162.1177.3-65.8-175.5000111.9P281 V300 N304 E305 Q306 K308P281-L302 HydrophobicContact CG-CD2 3.59Å; V300-L302 HydrophobicContact CG1-CD2 4.45Å; L302-N304 WeakPolarHBondContact CB-OD1 3.37Å; L302-N304 PolarHBondContact O-N 3.34Å; L302-N304 VanDerWaalsContact O-N 3.11Å; L302-E305 WeakPolarHBondContact O-CA 3.3Å; L302-E305 PolarHBondContact O-N 3.21Å; L302-Q306 WeakPolarHBondContact CB-O 3.29Å; L302-Q306 PolarHBondContact N-O 2.92Å; L302-K308 HydrophobicContact CD1-CD 3.61Å; L302-K308 VanDerWaalsContact CD1-CE 3.42Å; L302-K308 HydrophobicContact CD1-CG 3.83Å; L302-K308 HydrophobicContact CG-CD 4.45Å; L302-K308 HydrophobicContact CG-CG 4.33Å
303P83.7Confident94.1Very high97 Ų9756.5 Ų56.563%0.6329%0.288SS*.THydrogen-bonded Turntrans-58.1-24.3177.6-2635.1000114.7E305P303-E305 PolarHBondContact O-N 2.84Å
304N86.1Confident94.1Very high89 Ų8952.6 Ų52.648%0.47627%0.267SS..THydrogen-bonded Turntrans-8516.4175.170.3-7.7000113.3L302 Q306L302-N304 WeakPolarHBondContact CB-OD1 3.37Å; L302-N304 PolarHBondContact O-N 3.34Å; L302-N304 VanDerWaalsContact O-N 3.11Å; N304-Q306 PolarHBondContact ND2-OE1 2.98Å; N304-Q306 VanDerWaalsContact ND2-OE1 3.16Å; N304-Q306 PolarHBondContact O-N 2.83Å; N304-Q306 VanDerWaalsContact OD1-CB 3.25Å; N304-Q306 WeakPolarHBondContact OD1-CB 3.38Å; N304-Q306 WeakPolarHBondContact OD1-CG 3.45Å; N304-Q306 PolarHBondContact OD1-N 2.94Å; N304-Q306 VanDerWaalsContact OD1-N 3.1Å
305E86.8Confident94Very high131 Ų13153.5 Ų53.561%0.61227%0.274SS*.SBendtrans64.54.1-178.4-60.7-75126.900114.9K301 L302 P303K301-E305 VanDerWaalsContact CE-OE1 3.24Å; K301-E305 WeakPolarHBondContact CE-OE1 3.45Å; K301-E305 WeakPolarHBondContact CE-OE2 3.06Å; K301-E305 IonicContact NZ-OE1 3.01Å; K301-E305 PolarHBondContact NZ-OE1 2.94Å; K301-E305 VanDerWaalsContact NZ-OE1 3.12Å; K301-E305 IonicContact NZ-OE2 3.17Å; K301-E305 PolarHBondContact NZ-OE2 2.81Å; L302-E305 WeakPolarHBondContact O-CA 3.3Å; L302-E305 PolarHBondContact O-N 3.21Å; P303-E305 PolarHBondContact O-N 2.84Å
306Q89.4Confident93.9Very high106 Ų10654.5 Ų54.550%0.49528%0.277SS..  trans-77.1136.1174.8-64.3179.9-900110.7L302 N304L302-Q306 WeakPolarHBondContact CB-O 3.29Å; L302-Q306 PolarHBondContact N-O 2.92Å; N304-Q306 PolarHBondContact ND2-OE1 2.98Å; N304-Q306 VanDerWaalsContact ND2-OE1 3.16Å; N304-Q306 PolarHBondContact O-N 2.83Å; N304-Q306 VanDerWaalsContact OD1-CB 3.25Å; N304-Q306 WeakPolarHBondContact OD1-CB 3.38Å; N304-Q306 WeakPolarHBondContact OD1-CG 3.45Å; N304-Q306 PolarHBondContact OD1-N 2.94Å; N304-Q306 VanDerWaalsContact OD1-N 3.1Å
307M92.5Very high93.8Very high86 Ų8654.5 Ų54.542%0.42428%0.277SS..EExtended strand (participates in β ladder)trans-86.7128.8170.5-62.8-58.4-62.400110.1H299 V300 K301H299-M307 HydrophobicContact CB-CE 4.36Å; H299-M307 WeakPolarHBondContact CD2-CE 3.5Å; H299-M307 WeakPolarHBondContact NE2-CB 3.17Å; H299-M307 WeakPolarHBondContact NE2-CE 3.42Å; V300-M307 CarbonylContact O-C 3.57Å; V300-M307 WeakPolarHBondContact O-CA 3.49Å; K301-M307 HydrophobicContact CB-CE 4.22Å; K301-M307 HydrophobicContact CB-SD 3.51Å; K301-M307 VanDerWaalsContact CB-SD 3.51Å; K301-M307 HydrophobicContact CD-SD 4.36Å; K301-M307 HydrophobicContact CG-SD 3.71Å
308K94.5Very high93.5Very high119 Ų11959 Ų5952%0.51729%0.294SS..EExtended strand (participates in β ladder)trans-122.1148.4171.3-70.7-162.2-175.7168.80110.6H299 V300 L302H299-K308 CarbonylContact C-O 3.54Å; V300-K308 PolarHBondContact N-O 3.17Å; V300-K308 PolarHBondContact O-N 3.47Å; L302-K308 HydrophobicContact CD1-CD 3.61Å; L302-K308 VanDerWaalsContact CD1-CE 3.42Å; L302-K308 HydrophobicContact CD1-CG 3.83Å; L302-K308 HydrophobicContact CG-CD 4.45Å; L302-K308 HydrophobicContact CG-CG 4.33Å
309E95.2Very high93.3Very high96 Ų9659 Ų5945%0.44929%0.294SS..EExtended strand (participates in β ladder)trans-107.1136.2176.8-168.6176.9158.700110.2K266 Y267 N297 F298K266-E309 VanDerWaalsContact CE-OE1 3.32Å; K266-E309 WeakPolarHBondContact CE-OE1 3.17Å; K266-E309 IonicContact NZ-OE1 2.63Å; K266-E309 PolarHBondContact NZ-OE1 3.45Å; K266-E309 IonicContact NZ-OE2 2.68Å; K266-E309 PolarHBondContact NZ-OE2 2.94Å; Y267-E309 VanDerWaalsContact OH-CD 3.32Å; Y267-E309 PolarHBondContact OH-OE1 3Å; N297-E309 PolarHBondContact ND2-OE1 2.91Å; F298-E309 CarbonylContact O-C 3.58Å; F298-E309 VanDerWaalsContact O-CA 3.26Å; F298-E309 WeakPolarHBondContact O-CA 3.5Å
310G94.7Very high93.2Very high21 Ų2155.4 Ų55.422%0.21628%0.278CS..EExtended strand (participates in β ladder)trans-132141.4173.600000110.4N297 F298N297-G310 CarbonylContact C-O 3.58Å; N297-G310 WeakPolarHBondContact CA-O 3.44Å; F298-G310 PolarHBondContact N-O 3.49Å; F298-G310 PolarHBondContact O-N 2.81Å
311S97Very high92.9Very high50 Ų5060.1 Ų60.135%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-119.9123.1179.61780000109.8E295E295-S311 WeakPolarHBondContact OE1-CB 3.31Å; E295-S311 PolarHBondContact OE1-OG 3.41Å; E295-S311 PolarHBondContact OE2-OG 3.1Å
312F97.9Very high92.7Very high7 Ų757.4 Ų57.43%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-109.4102.9178-64.2-84.5000109.6F280 E295 L296 F298 M317 F350 Y352 V362F280-F312 HydrophobicContact CD1-CE2 4.28Å; F280-F312 AromaticContact CD1-CZ 3.62Å; F280-F312 HydrophobicContact CD1-CZ 3.62Å; F280-F312 HydrophobicContact CE1-CE2 4.43Å; F280-F312 AromaticContact CE1-CZ 3.65Å; F280-F312 HydrophobicContact CE1-CZ 3.65Å; F280-F312 HydrophobicContact CG-CZ 4.09Å; F280-F312 HydrophobicContact CZ-CZ 4.16Å; E295-F312 CarbonylContact C-O 3.54Å; E295-F312 WeakPolarHBondContact CA-O 3.34Å; E295-F312 WeakPolarHBondContact CB-O 3.24Å; L296-F312 HydrophobicContact CB-CB 4.47Å; L296-F312 PolarHBondContact N-O 3.45Å; L296-F312 PolarHBondContact O-N 3.13Å; F298-F312 HydrophobicContact CB-CE2 4.33Å; F298-F312 AromaticContact CD1-CD2 3.66Å; F298-F312 HydrophobicContact CD1-CD2 3.66Å; F298-F312 AromaticContact CD1-CE2 3.79Å; F298-F312 HydrophobicContact CD1-CE2 3.79Å; F298-F312 HydrophobicContact CD2-CD2 4.46Å; F298-F312 AromaticContact CD2-CE2 3.76Å; F298-F312 HydrophobicContact CD2-CE2 3.76Å; F298-F312 AromaticContact CE1-CD2 3.7Å; F298-F312 HydrophobicContact CE1-CD2 3.7Å; F298-F312 AromaticContact CE1-CE2 3.91Å; F298-F312 HydrophobicContact CE1-CE2 3.91Å; F298-F312 HydrophobicContact CE2-CD2 4.5Å; F298-F312 AromaticContact CE2-CE2 3.89Å; F298-F312 HydrophobicContact CE2-CE2 3.89Å; F298-F312 HydrophobicContact CG-CD2 4.06Å; F298-F312 AromaticContact CG-CE2 3.71Å; F298-F312 HydrophobicContact CG-CE2 3.71Å; F298-F312 HydrophobicContact CZ-CD2 4.13Å; F298-F312 AromaticContact CZ-CE2 3.95Å; F298-F312 HydrophobicContact CZ-CE2 3.95Å; F312-M317 HydrophobicContact CB-CE 3.68Å; F312-F350 HydrophobicContact CB-CE2 4.12Å; F312-F350 HydrophobicContact CB-CZ 4.24Å; F312-F350 AromaticContact CD1-CE2 3.71Å; F312-F350 HydrophobicContact CD1-CE2 3.71Å; F312-F350 HydrophobicContact CD1-CZ 4.03Å; F312-F350 HydrophobicContact CD2-CZ 4.11Å; F312-F350 HydrophobicContact CE1-CE2 4.23Å; F312-F350 HydrophobicContact CE1-CZ 4.38Å; F312-F350 HydrophobicContact CE2-CZ 4.46Å; F312-F350 AromaticContact CG-CE2 3.89Å; F312-F350 HydrophobicContact CG-CE2 3.89Å; F312-F350 AromaticContact CG-CZ 3.86Å; F312-F350 HydrophobicContact CG-CZ 3.86Å; F312-Y352 WeakPolarHBondContact CA-OH 3.44Å; F312-Y352 HydrophobicContact CB-CD2 4.16Å; F312-Y352 HydrophobicContact CB-CE2 3.7Å; F312-Y352 AromaticContact CD1-CD1 3.84Å; F312-Y352 HydrophobicContact CD1-CD1 3.84Å; F312-Y352 AromaticContact CD1-CD2 3.78Å; F312-Y352 HydrophobicContact CD1-CD2 3.78Å; F312-Y352 AromaticContact CD1-CE1 3.85Å; F312-Y352 HydrophobicContact CD1-CE1 3.85Å; F312-Y352 AromaticContact CD1-CE2 3.79Å; F312-Y352 HydrophobicContact CD1-CE2 3.79Å; F312-Y352 AromaticContact CD1-CG 3.79Å; F312-Y352 HydrophobicContact CD1-CG 3.79Å; F312-Y352 AromaticContact CD1-CZ 3.82Å; F312-Y352 HydrophobicContact CE1-CD1 4.25Å; F312-Y352 HydrophobicContact CE1-CE1 4.45Å; F312-Y352 HydrophobicContact CE1-CG 4.4Å; F312-Y352 HydrophobicContact CG-CD2 4.47Å; F312-Y352 HydrophobicContact CG-CE2 4.26Å; F312-V362 HydrophobicContact CE1-CG2 4.04Å; F312-V362 HydrophobicContact CZ-CG1 4.43Å; F312-V362 HydrophobicContact CZ-CG2 4.31Å
313K97.6Very high92.6Very high76 Ų7659.1 Ų59.133%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-68.1132.4179.1-61.6-55.6-1671780110.9E295 T315 R316 Y352E295-K313 HydrophobicContact CB-CD 4.01Å; E295-K313 IonicContact OE2-NZ 2.82Å; E295-K313 PolarHBondContact OE2-NZ 2.7Å; K313-T315 PolarHBondContact O-N 2.82Å; K313-R316 HydrophobicContact CB-CG 4.23Å; K313-R316 PolarHBondContact O-N 2.89Å; K313-Y352 PolarHBondContact N-OH 3.06Å; K313-Y352 WeakPolarHBondContact O-CE2 3.43Å
314V95.9Very high92.6Very high0 Ų057.4 Ų57.40%029%0.286CS..G310 helixtrans-56.6-38.4177.2171.50000111N294 R316 M317 L376 M379 V380 L383 F464N294-V314 WeakPolarHBondContact O-CB 3.38Å; N294-V314 WeakPolarHBondContact O-CG2 3.32Å; N294-V314 PolarHBondContact O-N 3.12Å; V314-R316 PolarHBondContact O-N 2.87Å; V314-M317 WeakPolarHBondContact O-CB 3.48Å; V314-M317 PolarHBondContact O-N 3.39Å; V314-L376 HydrophobicContact CG2-CD2 3.93Å; V314-M379 HydrophobicContact CG2-CB 4.26Å; V314-M379 HydrophobicContact CG2-CE 3.71Å; V314-M379 HydrophobicContact CG2-SD 4.16Å; V314-V380 HydrophobicContact CG1-CG2 3.38Å; V314-L383 HydrophobicContact CG1-CD1 4.31Å; V314-F464 HydrophobicContact CG1-CE2 4.35Å; V314-F464 HydrophobicContact CG1-CZ 4.43Å
315T94.5Very high92.3Very high60 Ų6055.6 Ų55.637%0.36828%0.28SS..G310 helixtrans-60.7-15.9178.154.60000114.7K313 L383 F464K313-T315 PolarHBondContact O-N 2.82Å; T315-L383 HydrophobicContact CG2-CD1 4.27Å; T315-F464 HydrophobicContact CG2-CE2 4.5Å; T315-F464 HydrophobicContact CG2-CZ 4.32Å
316R95.6Very high91.8Very high31 Ų3154.8 Ų54.812%0.11728%0.276CS..G310 helixtrans-1061.9179.5-61.8175.168.7104.2-3.9113.2K313 V314 Y352 L353 D471 L472K313-R316 HydrophobicContact CB-CG 4.23Å; K313-R316 PolarHBondContact O-N 2.89Å; V314-R316 PolarHBondContact O-N 2.87Å; R316-Y352 HydrophobicContact CB-CD2 4.17Å; R316-Y352 HydrophobicContact CB-CE1 4.39Å; R316-Y352 HydrophobicContact CB-CE2 3.59Å; R316-Y352 WeakPolarHBondContact CD-OH 3.33Å; R316-L353 HydrophobicContact CB-CB 4.42Å; R316-L353 VanDerWaalsContact CZ-O 3.3Å; R316-L353 PolarHBondContact NE-O 3.43Å; R316-L353 PolarHBondContact NH2-O 3.07Å; R316-L353 PolarHBondContact O-N 3.43Å; R316-D471 PolarHBondContact NH1-O 3.46Å; R316-L472 VanDerWaalsContact NH1-C 3.34Å; R316-L472 VanDerWaalsContact NH1-CA 3.26Å; R316-L472 PolarHBondContact NH1-OXT 3.31Å
317M96.6Very high91.1Very high0 Ų052.8 Ų52.80%027%0.271CS..EExtended strand (participates in β ladder)trans-89.1112.6176.5-66.2178.2-178.900109.1L296 F312 V314 F350 E351 Y352 L376 A463 I467L296-M317 HydrophobicContact CB-CE 4.33Å; L296-M317 HydrophobicContact CD1-CE 4.04Å; L296-M317 HydrophobicContact CG-CE 4.04Å; F312-M317 HydrophobicContact CB-CE 3.68Å; V314-M317 WeakPolarHBondContact O-CB 3.48Å; V314-M317 PolarHBondContact O-N 3.39Å; M317-F350 HydrophobicContact CE-CD2 3.87Å; M317-F350 HydrophobicContact CE-CE2 3.9Å; M317-F350 HydrophobicContact CE-CG 4.23Å; M317-F350 HydrophobicContact CE-CZ 4.28Å; M317-F350 HydrophobicContact CG-CD2 4.02Å; M317-F350 HydrophobicContact SD-CB 4.38Å; M317-F350 HydrophobicContact SD-CD2 4.18Å; M317-F350 HydrophobicContact SD-CG 4.27Å; M317-E351 CarbonylContact C-O 3.49Å; M317-E351 WeakPolarHBondContact CA-O 3.31Å; M317-Y352 HydrophobicContact CG-CD2 3.81Å; M317-Y352 HydrophobicContact CG-CE2 4.26Å; M317-L376 HydrophobicContact CE-CD2 4.08Å; M317-L376 HydrophobicContact SD-CD1 4.26Å; M317-L376 HydrophobicContact SD-CD2 3.59Å; M317-L376 VanDerWaalsContact SD-CD2 3.59Å; M317-A463 WeakPolarHBondContact O-CB 3.37Å; M317-I467 WeakPolarHBondContact O-CD1 3.13Å
318R93.3Very high90.2Very high98 Ų9853.2 Ų53.237%0.3728%0.281SS..EExtended strand (participates in β ladder)trans-64.6-48179-175.8169.473.8171.84.7111E351 L359 A463 I467R318-E351 HydrophobicContact CB-CB 4.49Å; R318-E351 IonicContact CZ-OE1 3.98Å; R318-E351 IonicContact CZ-OE2 3.87Å; R318-E351 PolarHBondContact N-O 2.94Å; R318-E351 IonicContact NE-OE1 3.04Å; R318-E351 IonicContact NE-OE2 3.84Å; R318-E351 PolarHBondContact NE-OE2 3.09Å; R318-E351 IonicContact NH2-OE1 2.69Å; R318-E351 PolarHBondContact NH2-OE1 2.62Å; R318-E351 IonicContact NH2-OE2 2.93Å; R318-E351 PolarHBondContact NH2-OE2 2.65Å; R318-L359 HydrophobicContact CB-CD2 4.3Å; R318-L359 VanDerWaalsContact NH1-CD1 3.28Å; R318-A463 PolarHBondContact O-N 3.24Å; R318-I467 HydrophobicContact CB-CD1 4.18Å
319C92.4Very high88.8Confident0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-158.6169.3177.564.70000110.6F350 E351 F458 N461 Y462C319-F350 WeakPolarHBondContact O-CA 3.24Å; C319-E351 PolarHBondContact O-N 3.29Å; C319-F458 VanDerWaalsContact SG-CZ 3.54Å; C319-N461 CarbonylContact C-O 3.46Å; C319-N461 WeakPolarHBondContact CA-O 3.45Å; C319-N461 WeakPolarHBondContact CB-O 3.36Å; C319-Y462 HydrophobicContact CB-CD1 4Å; C319-Y462 HydrophobicContact CB-CE1 4.4Å; C319-Y462 HydrophobicContact CB-CG 4.39Å
320W95.4Very high86.9Confident0 Ų051.5 Ų51.50%029%0.289CS..EExtended strand (participates in β ladder)trans-142160.4169.367.389.6000111.8L348 A349 F350 S373 L376 Q377 V380 N461 A463W320-L348 HydrophobicContact CB-CD1 4.12Å; W320-L348 HydrophobicContact CG-CD1 4.27Å; W320-A349 CarbonylContact C-O 3.58Å; W320-A349 WeakPolarHBondContact CA-O 3.49Å; W320-A349 WeakPolarHBondContact CB-O 3.49Å; W320-F350 HydrophobicContact CB-CB 3.7Å; W320-S373 PolarHBondContact NE1-OG 3.46Å; W320-L376 HydrophobicContact CB-CD1 4.28Å; W320-L376 HydrophobicContact CD2-CB 4.28Å; W320-L376 HydrophobicContact CD2-CD1 3.92Å; W320-L376 HydrophobicContact CE3-CB 4.5Å; W320-L376 HydrophobicContact CE3-CD1 4.31Å; W320-L376 HydrophobicContact CG-CD1 3.88Å; W320-L376 HydrophobicContact CH2-CB 4.31Å; W320-L376 HydrophobicContact CZ2-CB 4.06Å; W320-L376 HydrophobicContact CZ3-CB 4.5Å; W320-Q377 HydrophobicContact CZ2-CB 4.14Å; W320-V380 HydrophobicContact CH2-CB 4.44Å; W320-V380 HydrophobicContact CH2-CG2 3.82Å; W320-V380 HydrophobicContact CZ3-CG2 3.98Å; W320-N461 HydrophobicContact CD2-CB 3.99Å; W320-N461 HydrophobicContact CG-CB 4.34Å; W320-N461 HydrophobicContact CH2-CB 4.42Å; W320-N461 HydrophobicContact CZ2-CB 3.78Å; W320-N461 PolarHBondContact N-O 2.72Å; W320-N461 PolarHBondContact NE1-ND2 2.82Å; W320-N461 PolarHBondContact O-N 3.36Å; W320-N461 PolarHBondContact O-ND2 2.87Å; W320-A463 HydrophobicContact CE3-CB 4.39Å; W320-A463 HydrophobicContact CZ3-CB 3.67Å
321R90.3Very high84.6Confident105 Ų10556 Ų5640%0.39631%0.308SS..EExtended strand (participates in β ladder)trans-139.2150.7176.565.3-177-179.5-158.7-1.7110.6A349 W361R321-A349 HydrophobicContact CG-CB 4.08Å; R321-A349 PolarHBondContact N-O 3.03Å; R321-A349 PolarHBondContact O-N 2.88Å; R321-W361 HydrophobicContact CG-CZ3 4.21Å
322V89.1Confident82.3Confident17 Ų1757.8 Ų57.810%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-109129.3168.9176.40000107.4E347 L348 I370 S373V322-E347 CarbonylContact C-O 3.54Å; V322-E347 VanDerWaalsContact CA-O 3.27Å; V322-E347 WeakPolarHBondContact CA-O 3.34Å; V322-L348 HydrophobicContact CG2-CD1 4.21Å; V322-I370 HydrophobicContact CG1-CD1 4.42Å; V322-I370 HydrophobicContact CG1-CG1 3.75Å; V322-S373 VanDerWaalsContact CG2-CB 3.49Å
323T86.4Confident79.8Confident53 Ų5363 Ų6333%0.32537%0.366SS..EExtended strand (participates in β ladder)trans-120146.8176.345.10000110.3L346 E347T323-L346 WeakPolarHBondContact O-CA 2.98Å; T323-E347 PolarHBondContact N-O 2.97Å; T323-E347 PolarHBondContact O-N 3.19Å; T323-E347 WeakPolarHBondContact OG1-CB 3.46Å; T323-E347 PolarHBondContact OG1-OE2 3.04Å
324S82.9Confident77.2Confident61 Ų6165.9 Ų65.943%0.42739%0.391SS..EExtended strand (participates in β ladder)trans-127.1126.7177.8175.40000108V344 K345S324-V344 WeakPolarHBondContact OG-CG1 3.17Å; S324-K345 WeakPolarHBondContact CA-O 3.39Å
325S81.1Confident74.6Confident51 Ų5172.3 Ų72.336%0.35743%0.425SS..EExtended strand (participates in β ladder)trans-129.7142.9175.254.40000110.4K345S325-K345 PolarHBondContact N-O 3.04Å; S325-K345 PolarHBondContact O-N 3.42Å
326Q76.6Confident72.1Confident113 Ų11375.8 Ų75.853%0.52845%0.449SS..EExtended strand (participates in β ladder)trans-85.4123.3173.3-66.7-178.8-3.600108.8C342Q326-C342 HydrophobicContact CB-CB 4.23Å
327V74.7Confident69.4Low65 Ų6579.3 Ų79.339%0.39448%0.477SS..EExtended strand (participates in β ladder)trans-108.1124.5175.5-172.70000108.1I329 C342 E343 K345V327-I329 PolarHBondContact O-N 3.42Å; V327-C342 WeakPolarHBondContact O-CA 3.24Å; V327-E343 PolarHBondContact N-O 3.36Å; V327-E343 PolarHBondContact O-N 3.5Å; V327-K345 HydrophobicContact CG2-CB 3.71Å; V327-K345 HydrophobicContact CG2-CD 4.32Å
328P72.5Confident66.7Low95 Ų9586.5 Ų86.562%0.61752%0.515SS*.EExtended strand (participates in β ladder)trans-61.1127.3176-17.828.8000110S330P328-S330 PolarHBondContact O-N 2.96Å; P328-S330 VanDerWaalsContact O-N 3.11Å
329I64.9Low64.6Low64 Ų6486.9 Ų86.933%0.32853%0.533SS..  trans-75.6105.2172.9-57.8175000107.5V327 N331 K341 E343V327-I329 PolarHBondContact O-N 3.42Å; I329-N331 VanDerWaalsContact C-N 3.25Å; I329-N331 WeakPolarHBondContact CG2-OD1 3.31Å; I329-N331 PolarHBondContact O-N 3.05Å; I329-K341 WeakPolarHBondContact CB-O 3.36Å; I329-K341 HydrophobicContact CD1-CB 3.69Å; I329-K341 WeakPolarHBondContact CD1-O 3.48Å; I329-K341 WeakPolarHBondContact CG1-O 3.39Å; I329-K341 PolarHBondContact N-O 3.47Å; I329-E343 HydrophobicContact CD1-CB 4.16Å; I329-E343 HydrophobicContact CG1-CB 3.97Å
330S54.8Low62.3Low115 Ų11592.4 Ų92.480%0.80457%0.567SS**  trans-75.279.4171.256.90000109.7P328 G332P328-S330 PolarHBondContact O-N 2.96Å; P328-S330 VanDerWaalsContact O-N 3.11Å; S330-G332 PolarHBondContact O-N 2.89Å
331N47.9Very low60.4Low115 Ų115100 Ų10062%0.61560%0.6SS**  trans-73118.9164.4-76.6-15.7000107.7I329 T333I329-N331 VanDerWaalsContact C-N 3.25Å; I329-N331 WeakPolarHBondContact CG2-OD1 3.31Å; I329-N331 PolarHBondContact O-N 3.05Å; N331-T333 PolarHBondContact O-N 2.89Å
332G48.9Very low58.9Low87 Ų8797.8 Ų97.890%0.89760%0.6SS**SBendtrans-67.332.6179.800000115.4S330S330-G332 PolarHBondContact O-N 2.89Å
333T44Very low58.1Low116 Ų116102.3 Ų102.371%0.71262%0.62SS**SBendtrans-135.5109.9175.236.80000110.3N331 N335N331-T333 PolarHBondContact O-N 2.89Å; T333-N335 PolarHBondContact O-N 3.42Å
334T44.3Very low57.8Low138 Ų138102.6 Ų102.685%0.84762%0.622SS**  trans-62.8109.5175.344.60000111
335N41.4Very low58Low135 Ų135103.2 Ų103.272%0.72262%0.616SS**  trans-136.8123.8157.1-90.8-23.8000108.6T333 C337T333-N335 PolarHBondContact O-N 3.42Å; N335-C337 VanDerWaalsContact C-N 3.26Å; N335-C337 PolarHBondContact O-N 2.91Å; N335-C337 VanDerWaalsContact O-N 3.13Å
336P41.2Very low58.4Low133 Ų133101.4 Ų101.486%0.86460%0.603SS**SBendtrans-81.613.1-165.6-1028.2000115.8
337C39.1Very low59.3Low105 Ų10597.9 Ų97.971%0.70959%0.586SS**SBendtrans-145.854.7-166.538.30000113N335N335-C337 VanDerWaalsContact C-N 3.26Å; N335-C337 PolarHBondContact O-N 2.91Å; N335-C337 VanDerWaalsContact O-N 3.13Å
338N39.8Very low60.3Low150 Ų15094.8 Ų94.880%0.80257%0.567SS**SBendtrans-145.4138.2159.3-91.5-30.5000108.4T340N338-T340 PolarHBondContact O-N 3.28Å; N338-T340 VanDerWaalsContact O-N 3.1Å
339S48.5Very low61.5Low106 Ų10690.4 Ų90.474%0.74154%0.539SS*.  trans-43119.8171.655.70000109.5K341S339-K341 PolarHBondContact O-N 3.44Å
340T45.2Very low63.1Low117 Ų11787.3 Ų87.372%0.71852%0.524SS*.  trans-51.8107.917323.20000107.8N338 C342N338-T340 PolarHBondContact O-N 3.28Å; N338-T340 VanDerWaalsContact O-N 3.1Å; T340-C342 PolarHBondContact O-N 2.97Å
341K55.2Low65.1Low158 Ų15882.6 Ų82.669%0.68749%0.489SS*.PPolyproline II helixtrans-63.9120.2171.9-72.3-174.7176.1-176.10106I329 S339I329-K341 WeakPolarHBondContact CB-O 3.36Å; I329-K341 HydrophobicContact CD1-CB 3.69Å; I329-K341 WeakPolarHBondContact CD1-O 3.48Å; I329-K341 WeakPolarHBondContact CG1-O 3.39Å; I329-K341 PolarHBondContact N-O 3.47Å; S339-K341 PolarHBondContact O-N 3.44Å
342C58.7Low67.5Low59 Ų5977.9 Ų77.940%0.39946%0.462SS..EExtended strand (participates in β ladder)trans-98.6133.6172.3-68.30000107.9Q326 V327 T340Q326-C342 HydrophobicContact CB-CB 4.23Å; V327-C342 WeakPolarHBondContact O-CA 3.24Å; T340-C342 PolarHBondContact O-N 2.97Å
343E73Confident69.7Low113 Ų11374.2 Ų74.253%0.52842%0.422SS..EExtended strand (participates in β ladder)trans-87.9136.9169-170.6178.317200108.5V327 I329 K345 Q367V327-E343 PolarHBondContact N-O 3.36Å; V327-E343 PolarHBondContact O-N 3.5Å; I329-E343 HydrophobicContact CD1-CB 4.16Å; I329-E343 HydrophobicContact CG1-CB 3.97Å; E343-K345 PolarHBondContact O-N 3.42Å; E343-Q367 PolarHBondContact OE1-NE2 3.32Å
344V78.9Confident72.1Confident59 Ų5970.8 Ų70.836%0.35840%0.398SS..EExtended strand (participates in β ladder)trans-84.3116.4173.7-178.40000108.1S324 L346 Q367S324-V344 WeakPolarHBondContact OG-CG1 3.17Å; V344-L346 HydrophobicContact CG1-CD2 4.11Å; V344-L346 HydrophobicContact CG1-CG 4.18Å; V344-Q367 PolarHBondContact O-NE2 2.98Å; V344-Q367 PolarHBondContact O-OE1 2.9Å
345K87.5Confident74.4Confident73 Ų7366.2 Ų66.232%0.31737%0.372SS..EExtended strand (participates in β ladder)trans-90.3117.9170.7-173.8-168.4-173-159.80108.9S324 S325 V327 E343 E347 T365S324-K345 WeakPolarHBondContact CA-O 3.39Å; S325-K345 PolarHBondContact N-O 3.04Å; S325-K345 PolarHBondContact O-N 3.42Å; V327-K345 HydrophobicContact CG2-CB 3.71Å; V327-K345 HydrophobicContact CG2-CD 4.32Å; E343-K345 PolarHBondContact O-N 3.42Å; K345-E347 WeakPolarHBondContact CE-OE1 3.5Å; K345-E347 IonicContact NZ-OE1 2.69Å; K345-E347 PolarHBondContact NZ-OE1 3.45Å; K345-T365 HydrophobicContact CD-CG2 4.26Å; K345-T365 HydrophobicContact CG-CG2 3.88Å
346L90.1Very high76.6Confident13 Ų1366 Ų667%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-103136.7176.5-68.4171.4000111T323 V344 S366 A369 I370T323-L346 WeakPolarHBondContact O-CA 2.98Å; V344-L346 HydrophobicContact CG1-CD2 4.11Å; V344-L346 HydrophobicContact CG1-CG 4.18Å; L346-S366 VanDerWaalsContact CB-O 3.3Å; L346-S366 WeakPolarHBondContact CB-O 3.34Å; L346-S366 PolarHBondContact O-N 3.23Å; L346-A369 HydrophobicContact CB-CB 4.11Å; L346-I370 HydrophobicContact CD1-CD1 3.73Å; L346-I370 HydrophobicContact CD2-CD1 3.89Å; L346-I370 HydrophobicContact CG-CD1 4.41Å
347E94.5Very high78.8Confident39 Ų3965.9 Ų65.918%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-132.7137.3178.9-65.5173.515300110.7V322 T323 K345 T363 I364 T365V322-E347 CarbonylContact C-O 3.54Å; V322-E347 VanDerWaalsContact CA-O 3.27Å; V322-E347 WeakPolarHBondContact CA-O 3.34Å; T323-E347 PolarHBondContact N-O 2.97Å; T323-E347 PolarHBondContact O-N 3.19Å; T323-E347 WeakPolarHBondContact OG1-CB 3.46Å; T323-E347 PolarHBondContact OG1-OE2 3.04Å; K345-E347 WeakPolarHBondContact CE-OE1 3.5Å; K345-E347 IonicContact NZ-OE1 2.69Å; K345-E347 PolarHBondContact NZ-OE1 3.45Å; E347-T363 HydrophobicContact CB-CG2 4.13Å; E347-T363 HydrophobicContact CG-CG2 4.36Å; E347-I364 CarbonylContact C-O 3.55Å; E347-I364 VanDerWaalsContact CA-O 3.23Å; E347-I364 WeakPolarHBondContact CA-O 3.43Å; E347-T365 HydrophobicContact CG-CG2 4.44Å
348L96.5Very high81.4Confident0 Ų067.3 Ų67.30%035%0.347CS..EExtended strand (participates in β ladder)trans-106.1118.1164.1170.663.4000107.3L296 W320 V322 T363 I364 A369 M372 L376L296-L348 HydrophobicContact CD1-CD2 4.44Å; W320-L348 HydrophobicContact CB-CD1 4.12Å; W320-L348 HydrophobicContact CG-CD1 4.27Å; V322-L348 HydrophobicContact CG2-CD1 4.21Å; L348-T363 WeakPolarHBondContact O-CA 3.47Å; L348-I364 HydrophobicContact CD2-CD1 4.23Å; L348-I364 PolarHBondContact N-O 3.23Å; L348-I364 PolarHBondContact O-N 2.78Å; L348-A369 HydrophobicContact CB-CB 3.91Å; L348-M372 HydrophobicContact CD2-CB 3.44Å; L348-M372 VanDerWaalsContact CD2-CB 3.44Å; L348-M372 HydrophobicContact CD2-CG 4.48Å; L348-M372 HydrophobicContact CD2-SD 4.34Å; L348-L376 HydrophobicContact CD1-CD1 4.31Å; L348-L376 HydrophobicContact CD2-CD1 4.04Å
349A97.8Very high84.1Confident3 Ų363.1 Ų63.13%0.02533%0.325CS..EExtended strand (participates in β ladder)trans-114.2132.7172.300000109.4W320 R321 W361 V362 T363W320-A349 CarbonylContact C-O 3.58Å; W320-A349 WeakPolarHBondContact CA-O 3.49Å; W320-A349 WeakPolarHBondContact CB-O 3.49Å; R321-A349 HydrophobicContact CG-CB 4.08Å; R321-A349 PolarHBondContact N-O 3.03Å; R321-A349 PolarHBondContact O-N 2.88Å; A349-W361 HydrophobicContact CB-CE3 3.83Å; A349-W361 HydrophobicContact CB-CZ3 4.05Å; A349-V362 CarbonylContact C-O 3.23Å; A349-V362 VanDerWaalsContact CA-O 3.31Å; A349-V362 WeakPolarHBondContact CA-O 3.34Å; A349-T363 HydrophobicContact CB-CG2 4.25Å
350F97.9Very high86.4Confident0 Ų061.9 Ų61.90%031%0.307CS..EExtended strand (participates in β ladder)trans-128.7144.8174.260.8-91.1000110.6L296 F298 F312 M317 C319 W320 Y352 W361 V362 I364L296-F350 HydrophobicContact CD1-CD1 4.38Å; L296-F350 HydrophobicContact CD1-CE1 4.09Å; F298-F350 HydrophobicContact CE1-CE1 4.34Å; F298-F350 HydrophobicContact CE1-CZ 4.25Å; F298-F350 AromaticContact CZ-CE1 3.9Å; F298-F350 HydrophobicContact CZ-CE1 3.9Å; F298-F350 AromaticContact CZ-CZ 3.9Å; F298-F350 HydrophobicContact CZ-CZ 3.9Å; F312-F350 HydrophobicContact CB-CE2 4.12Å; F312-F350 HydrophobicContact CB-CZ 4.24Å; F312-F350 AromaticContact CD1-CE2 3.71Å; F312-F350 HydrophobicContact CD1-CE2 3.71Å; F312-F350 HydrophobicContact CD1-CZ 4.03Å; F312-F350 HydrophobicContact CD2-CZ 4.11Å; F312-F350 HydrophobicContact CE1-CE2 4.23Å; F312-F350 HydrophobicContact CE1-CZ 4.38Å; F312-F350 HydrophobicContact CE2-CZ 4.46Å; F312-F350 AromaticContact CG-CE2 3.89Å; F312-F350 HydrophobicContact CG-CE2 3.89Å; F312-F350 AromaticContact CG-CZ 3.86Å; F312-F350 HydrophobicContact CG-CZ 3.86Å; M317-F350 HydrophobicContact CE-CD2 3.87Å; M317-F350 HydrophobicContact CE-CE2 3.9Å; M317-F350 HydrophobicContact CE-CG 4.23Å; M317-F350 HydrophobicContact CE-CZ 4.28Å; M317-F350 HydrophobicContact CG-CD2 4.02Å; M317-F350 HydrophobicContact SD-CB 4.38Å; M317-F350 HydrophobicContact SD-CD2 4.18Å; M317-F350 HydrophobicContact SD-CG 4.27Å; C319-F350 WeakPolarHBondContact O-CA 3.24Å; W320-F350 HydrophobicContact CB-CB 3.7Å; F350-Y352 HydrophobicContact CD2-CD2 4.29Å; F350-Y352 HydrophobicContact CE2-CD2 4.09Å; F350-Y352 HydrophobicContact CE2-CG 4.33Å; F350-W361 WeakPolarHBondContact O-CA 3.48Å; F350-V362 HydrophobicContact CD2-CB 4.3Å; F350-V362 HydrophobicContact CE1-CB 4.04Å; F350-V362 HydrophobicContact CE1-CG1 3.91Å; F350-V362 HydrophobicContact CE2-CB 3.73Å; F350-V362 HydrophobicContact CE2-CG1 4.22Å; F350-V362 HydrophobicContact CE2-CG2 4.14Å; F350-V362 HydrophobicContact CZ-CB 3.59Å; F350-V362 HydrophobicContact CZ-CG1 3.56Å; F350-V362 HydrophobicContact CZ-CG2 4.31Å; F350-V362 PolarHBondContact N-O 3.3Å; F350-V362 PolarHBondContact O-N 3.08Å; F350-I364 HydrophobicContact CE1-CD1 4.11Å
351E97.6Very high88.9Confident15 Ų1559.5 Ų59.57%0.0729%0.285CS..EExtended strand (participates in β ladder)trans-98.6117.3179.7-167.6172.8-144.600110M317 R318 C319 L359 W361M317-E351 CarbonylContact C-O 3.49Å; M317-E351 WeakPolarHBondContact CA-O 3.31Å; R318-E351 HydrophobicContact CB-CB 4.49Å; R318-E351 IonicContact CZ-OE1 3.98Å; R318-E351 IonicContact CZ-OE2 3.87Å; R318-E351 PolarHBondContact N-O 2.94Å; R318-E351 IonicContact NE-OE1 3.04Å; R318-E351 IonicContact NE-OE2 3.84Å; R318-E351 PolarHBondContact NE-OE2 3.09Å; R318-E351 IonicContact NH2-OE1 2.69Å; R318-E351 PolarHBondContact NH2-OE1 2.62Å; R318-E351 IonicContact NH2-OE2 2.93Å; R318-E351 PolarHBondContact NH2-OE2 2.65Å; C319-E351 PolarHBondContact O-N 3.29Å; E351-L359 HydrophobicContact CG-CB 4.14Å; E351-L359 HydrophobicContact CG-CD2 4.32Å; E351-W361 HydrophobicContact CB-CD2 3.84Å; E351-W361 HydrophobicContact CB-CE3 4.05Å; E351-W361 HydrophobicContact CB-CG 4.43Å; E351-W361 HydrophobicContact CB-CH2 3.98Å; E351-W361 HydrophobicContact CB-CZ2 3.74Å; E351-W361 HydrophobicContact CB-CZ3 4.12Å; E351-W361 VanDerWaalsContact CD-NE1 3.34Å; E351-W361 HydrophobicContact CG-CD2 4.21Å; E351-W361 HydrophobicContact CG-CG 4.4Å; E351-W361 HydrophobicContact CG-CZ2 4.22Å; E351-W361 PolarHBondContact OE1-NE1 3.14Å
352Y97.4Very high90.9Very high17 Ų1752 Ų527%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-116.3134.5-166.9-165.2-99.5000112.1F312 K313 R316 M317 F350 M354 L359 Q360F312-Y352 WeakPolarHBondContact CA-OH 3.44Å; F312-Y352 HydrophobicContact CB-CD2 4.16Å; F312-Y352 HydrophobicContact CB-CE2 3.7Å; F312-Y352 AromaticContact CD1-CD1 3.84Å; F312-Y352 HydrophobicContact CD1-CD1 3.84Å; F312-Y352 AromaticContact CD1-CD2 3.78Å; F312-Y352 HydrophobicContact CD1-CD2 3.78Å; F312-Y352 AromaticContact CD1-CE1 3.85Å; F312-Y352 HydrophobicContact CD1-CE1 3.85Å; F312-Y352 AromaticContact CD1-CE2 3.79Å; F312-Y352 HydrophobicContact CD1-CE2 3.79Å; F312-Y352 AromaticContact CD1-CG 3.79Å; F312-Y352 HydrophobicContact CD1-CG 3.79Å; F312-Y352 AromaticContact CD1-CZ 3.82Å; F312-Y352 HydrophobicContact CE1-CD1 4.25Å; F312-Y352 HydrophobicContact CE1-CE1 4.45Å; F312-Y352 HydrophobicContact CE1-CG 4.4Å; F312-Y352 HydrophobicContact CG-CD2 4.47Å; F312-Y352 HydrophobicContact CG-CE2 4.26Å; K313-Y352 PolarHBondContact N-OH 3.06Å; K313-Y352 WeakPolarHBondContact O-CE2 3.43Å; R316-Y352 HydrophobicContact CB-CD2 4.17Å; R316-Y352 HydrophobicContact CB-CE1 4.39Å; R316-Y352 HydrophobicContact CB-CE2 3.59Å; R316-Y352 WeakPolarHBondContact CD-OH 3.33Å; M317-Y352 HydrophobicContact CG-CD2 3.81Å; M317-Y352 HydrophobicContact CG-CE2 4.26Å; F350-Y352 HydrophobicContact CD2-CD2 4.29Å; F350-Y352 HydrophobicContact CE2-CD2 4.09Å; F350-Y352 HydrophobicContact CE2-CG 4.33Å; Y352-M354 HydrophobicContact CD1-CG 4.4Å; Y352-M354 HydrophobicContact CD1-SD 3.65Å; Y352-M354 HydrophobicContact CE1-SD 4.38Å; Y352-M354 PolarHBondContact O-N 2.85Å; Y352-M354 VanDerWaalsContact O-N 3.1Å; Y352-L359 CarbonylContact O-C 3.47Å; Y352-L359 WeakPolarHBondContact O-CA 3.25Å; Y352-Q360 PolarHBondContact N-O 3.2Å; Y352-Q360 PolarHBondContact O-N 3.11Å
353L96Very high92.8Very high9 Ų950.5 Ų50.55%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-75.296.7172-173.966.4000109.4R316 S355 L359 I467 L472R316-L353 HydrophobicContact CB-CB 4.42Å; R316-L353 VanDerWaalsContact CZ-O 3.3Å; R316-L353 PolarHBondContact NE-O 3.43Å; R316-L353 PolarHBondContact NH2-O 3.07Å; R316-L353 PolarHBondContact O-N 3.43Å; L353-S355 WeakPolarHBondContact CD1-O 3.38Å; L353-L359 HydrophobicContact CB-CD2 3.97Å; L353-L359 HydrophobicContact CD1-CD2 4.11Å; L353-L359 HydrophobicContact CD1-CG 4.27Å; L353-I467 HydrophobicContact CB-CG2 4.42Å; L353-I467 HydrophobicContact CD2-CG2 3.92Å; L353-L472 HydrophobicContact CD2-CD2 3.58Å; L353-L472 HydrophobicContact CD2-CG 4Å; L353-L472 HydrophobicContact CG-CD2 3.86Å
354M93.8Very high94Very high44 Ų4445.1 Ų45.122%0.21722%0.217CC..EExtended strand (participates in β ladder)trans-74.5-37.9-176.4-66-65.8-73.300112.3F280 Y352 R358 Q360F280-M354 HydrophobicContact CE2-CE 3.61Å; F280-M354 HydrophobicContact CZ-CE 4.01Å; Y352-M354 HydrophobicContact CD1-CG 4.4Å; Y352-M354 HydrophobicContact CD1-SD 3.65Å; Y352-M354 HydrophobicContact CE1-SD 4.38Å; Y352-M354 PolarHBondContact O-N 2.85Å; Y352-M354 VanDerWaalsContact O-N 3.1Å; M354-R358 WeakPolarHBondContact CB-O 3.44Å; M354-R358 PolarHBondContact N-O 2.71Å; M354-Q360 HydrophobicContact CG-CB 3.61Å; M354-Q360 HydrophobicContact SD-CB 4.5Å
355S92.6Very high94.9Very high42 Ų4244.2 Ų44.229%0.29421%0.211SC..EExtended strand (participates in β ladder)trans-159.6177.4175.660.20000108L353 D357 R358L353-S355 WeakPolarHBondContact CD1-O 3.38Å; S355-D357 PolarHBondContact O-N 3.23Å; S355-R358 PolarHBondContact O-N 3.43Å; S355-R358 WeakPolarHBondContact OG-CB 3.41Å; S355-R358 PolarHBondContact OG-NE 3.07Å
356K87.3Confident95.3Very high130 Ų13041.3 Ų41.357%0.56520%0.2SC*.THydrogen-bonded Turntrans-43.3126.5173.7-157-171.5-179.8178.40111.8R358 D469 L472K356-R358 PolarHBondContact O-N 3.4Å; K356-D469 WeakPolarHBondContact CE-OD2 3.27Å; K356-D469 WeakPolarHBondContact CG-OD1 3.46Å; K356-D469 IonicContact NZ-OD2 3.26Å; K356-L472 VanDerWaalsContact CA-CD1 3.48Å; K356-L472 HydrophobicContact CB-CD1 3.62Å; K356-L472 HydrophobicContact CG-CD1 3.79Å
357D87.3Confident95.3Very high132 Ų13245.8 Ų45.871%0.70622%0.221SC*.THydrogen-bonded Turntrans53.815.8-179.1-57-56000116.2S355S355-D357 PolarHBondContact O-N 3.23Å
358R94.9Very high95.3Very high134 Ų13444.1 Ų44.151%0.50621%0.213SC..EExtended strand (participates in β ladder)trans-120.290-175.9-165.5-179.871.2-172.8-1.1111.6M354 S355 K356M354-R358 WeakPolarHBondContact CB-O 3.44Å; M354-R358 PolarHBondContact N-O 2.71Å; S355-R358 PolarHBondContact O-N 3.43Å; S355-R358 WeakPolarHBondContact OG-CB 3.41Å; S355-R358 PolarHBondContact OG-NE 3.07Å; K356-R358 PolarHBondContact O-N 3.4Å
359L95.4Very high95.2Very high62 Ų6244.1 Ų44.133%0.32521%0.213SC..EExtended strand (participates in β ladder)trans-85139.1169.6-70.4165.6000110.9R318 E351 Y352 L353R318-L359 HydrophobicContact CB-CD2 4.3Å; R318-L359 VanDerWaalsContact NH1-CD1 3.28Å; E351-L359 HydrophobicContact CG-CB 4.14Å; E351-L359 HydrophobicContact CG-CD2 4.32Å; Y352-L359 CarbonylContact O-C 3.47Å; Y352-L359 WeakPolarHBondContact O-CA 3.25Å; L353-L359 HydrophobicContact CB-CD2 3.97Å; L353-L359 HydrophobicContact CD1-CD2 4.11Å; L353-L359 HydrophobicContact CD1-CG 4.27Å
360Q96.7Very high94.8Very high80 Ų8044.5 Ų44.537%0.37421%0.214SC..EExtended strand (participates in β ladder)trans-139.8136.8176.5-178.6177.8-16.100110.2Y352 M354Y352-Q360 PolarHBondContact N-O 3.2Å; Y352-Q360 PolarHBondContact O-N 3.11Å; M354-Q360 HydrophobicContact CG-CB 3.61Å; M354-Q360 HydrophobicContact SD-CB 4.5Å
361W97.8Very high94.6Very high67 Ų6744.6 Ų44.625%0.25422%0.215SC..EExtended strand (participates in β ladder)trans-76.8131.9169.4-74.187.5000110.8R321 A349 F350 E351 F458R321-W361 HydrophobicContact CG-CZ3 4.21Å; A349-W361 HydrophobicContact CB-CE3 3.83Å; A349-W361 HydrophobicContact CB-CZ3 4.05Å; F350-W361 WeakPolarHBondContact O-CA 3.48Å; E351-W361 HydrophobicContact CB-CD2 3.84Å; E351-W361 HydrophobicContact CB-CE3 4.05Å; E351-W361 HydrophobicContact CB-CG 4.43Å; E351-W361 HydrophobicContact CB-CH2 3.98Å; E351-W361 HydrophobicContact CB-CZ2 3.74Å; E351-W361 HydrophobicContact CB-CZ3 4.12Å; E351-W361 VanDerWaalsContact CD-NE1 3.34Å; E351-W361 HydrophobicContact CG-CD2 4.21Å; E351-W361 HydrophobicContact CG-CG 4.4Å; E351-W361 HydrophobicContact CG-CZ2 4.22Å; E351-W361 PolarHBondContact OE1-NE1 3.14Å; W361-F458 HydrophobicContact CH2-CE2 4.33Å; W361-F458 AromaticContact CH2-CZ 3.9Å; W361-F458 HydrophobicContact CH2-CZ 3.9Å; W361-F458 AromaticContact CZ2-CE2 3.99Å; W361-F458 HydrophobicContact CZ2-CE2 3.99Å; W361-F458 AromaticContact CZ2-CZ 3.79Å; W361-F458 HydrophobicContact CZ2-CZ 3.79Å
362V98.3Very high94.6Very high0 Ų043.9 Ų43.90%021%0.212CC..EExtended strand (participates in β ladder)trans-117.5130.7170176.50000107.8F280 F298 F312 A349 F350F280-V362 HydrophobicContact CB-CG1 3.77Å; F280-V362 HydrophobicContact CB-CG2 4.34Å; F280-V362 HydrophobicContact CD2-CG2 4.18Å; F280-V362 HydrophobicContact CG-CG1 4.44Å; F280-V362 HydrophobicContact CG-CG2 4.37Å; F298-V362 HydrophobicContact CE2-CG1 4.02Å; F298-V362 HydrophobicContact CZ-CG1 4.11Å; F312-V362 HydrophobicContact CE1-CG2 4.04Å; F312-V362 HydrophobicContact CZ-CG1 4.43Å; F312-V362 HydrophobicContact CZ-CG2 4.31Å; A349-V362 CarbonylContact C-O 3.23Å; A349-V362 VanDerWaalsContact CA-O 3.31Å; A349-V362 WeakPolarHBondContact CA-O 3.34Å; F350-V362 HydrophobicContact CD2-CB 4.3Å; F350-V362 HydrophobicContact CE1-CB 4.04Å; F350-V362 HydrophobicContact CE1-CG1 3.91Å; F350-V362 HydrophobicContact CE2-CB 3.73Å; F350-V362 HydrophobicContact CE2-CG1 4.22Å; F350-V362 HydrophobicContact CE2-CG2 4.14Å; F350-V362 HydrophobicContact CZ-CB 3.59Å; F350-V362 HydrophobicContact CZ-CG1 3.56Å; F350-V362 HydrophobicContact CZ-CG2 4.31Å; F350-V362 PolarHBondContact N-O 3.3Å; F350-V362 PolarHBondContact O-N 3.08Å
363T98.3Very high94.4Very high29 Ų2943.7 Ų43.718%0.17821%0.213CC..EExtended strand (participates in β ladder)trans-117.5133.5-175.5-44.60000110.4T278 D279 E347 L348 A349T278-T363 WeakPolarHBondContact CA-O 3.46Å; T278-T363 WeakPolarHBondContact CB-O 3.43Å; T278-T363 PolarHBondContact OG1-O 3.34Å; D279-T363 PolarHBondContact N-O 3.15Å; D279-T363 VanDerWaalsContact N-O 3.1Å; D279-T363 PolarHBondContact OD1-N 2.77Å; D279-T363 WeakPolarHBondContact OD2-CB 3.39Å; D279-T363 PolarHBondContact OD2-N 2.86Å; D279-T363 PolarHBondContact OD2-OG1 3.31Å; E347-T363 HydrophobicContact CB-CG2 4.13Å; E347-T363 HydrophobicContact CG-CG2 4.36Å; L348-T363 WeakPolarHBondContact O-CA 3.47Å; A349-T363 HydrophobicContact CB-CG2 4.25Å
364I98.4Very high94.2Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-114.1119.7171-53.6161.1000107.2V277 V289 L296 F298 E347 L348 F350 M372V277-I364 CarbonylContact O-C 3.58Å; V277-I364 WeakPolarHBondContact O-CA 3.42Å; V289-I364 HydrophobicContact CG1-CD1 4.42Å; V289-I364 HydrophobicContact CG2-CD1 4.12Å; V289-I364 HydrophobicContact CG2-CG2 4.32Å; L296-I364 HydrophobicContact CD1-CD1 4.42Å; F298-I364 HydrophobicContact CE1-CD1 3.94Å; F298-I364 HydrophobicContact CE1-CG1 4.46Å; F298-I364 HydrophobicContact CE2-CG1 4.15Å; F298-I364 HydrophobicContact CZ-CD1 3.55Å; F298-I364 HydrophobicContact CZ-CG1 3.61Å; E347-I364 CarbonylContact C-O 3.55Å; E347-I364 VanDerWaalsContact CA-O 3.23Å; E347-I364 WeakPolarHBondContact CA-O 3.43Å; L348-I364 HydrophobicContact CD2-CD1 4.23Å; L348-I364 PolarHBondContact N-O 3.23Å; L348-I364 PolarHBondContact O-N 2.78Å; F350-I364 HydrophobicContact CE1-CD1 4.11Å; I364-M372 HydrophobicContact CD1-SD 3.97Å; I364-M372 HydrophobicContact CG2-CE 4.19Å; I364-M372 HydrophobicContact CG2-SD 3.97Å
365T97.2Very high94.4Very high40 Ų4042.5 Ų42.525%0.24521%0.208CC..EExtended strand (participates in β ladder)trans-90.2111.8167.1-600000108.6C276 V277 K345 E347C276-T365 WeakPolarHBondContact CB-O 3.27Å; V277-T365 PolarHBondContact N-O 2.84Å; V277-T365 PolarHBondContact O-N 2.75Å; K345-T365 HydrophobicContact CD-CG2 4.26Å; K345-T365 HydrophobicContact CG-CG2 3.88Å; E347-T365 HydrophobicContact CG-CG2 4.44Å
366S95.5Very high94.5Very high11 Ų1140.5 Ų40.58%0.07719%0.194CC..  trans-156.7141.4-178.7178.60000110.9L346 Q368 A369L346-S366 VanDerWaalsContact CB-O 3.3Å; L346-S366 WeakPolarHBondContact CB-O 3.34Å; L346-S366 PolarHBondContact O-N 3.23Å; S366-Q368 PolarHBondContact O-N 3.1Å; S366-Q368 VanDerWaalsContact O-N 3.12Å; S366-Q368 PolarHBondContact OG-N 3.28Å; S366-A369 VanDerWaalsContact O-CB 3.28Å; S366-A369 WeakPolarHBondContact O-CB 3.43Å; S366-A369 PolarHBondContact O-N 3.01Å
367Q91.3Very high94.8Very high107 Ų10737.1 Ų37.150%0.518%0.18SC..THydrogen-bonded Turntrans-62.1-16.8169.8-63.1-60.1-12.700112.2E343 V344E343-Q367 PolarHBondContact OE1-NE2 3.32Å; V344-Q367 PolarHBondContact O-NE2 2.98Å; V344-Q367 PolarHBondContact O-OE1 2.9Å
368Q94Very high95.1Very high5 Ų531.9 Ų31.92%0.02316%0.155CC..THydrogen-bonded Turntrans-98.613.3175.3-62-179.3-75.500113.9T173 F174 F273 S366 I370 M371 M372T173-Q368 HydrophobicContact CG2-CG 4.07Å; F174-Q368 PolarHBondContact O-NE2 3.25Å; F273-Q368 HydrophobicContact CD1-CB 3.83Å; F273-Q368 HydrophobicContact CD1-CG 4.44Å; F273-Q368 HydrophobicContact CE1-CB 4.41Å; S366-Q368 PolarHBondContact O-N 3.1Å; S366-Q368 VanDerWaalsContact O-N 3.12Å; S366-Q368 PolarHBondContact OG-N 3.28Å; Q368-I370 PolarHBondContact O-N 3.05Å; Q368-I370 VanDerWaalsContact O-N 3.09Å; Q368-M371 HydrophobicContact CB-CB 4.45Å; Q368-M371 PolarHBondContact O-N 2.69Å; Q368-M372 WeakPolarHBondContact O-CG 3.14Å; Q368-M372 PolarHBondContact O-N 3.11Å
369A93.7Very high95.1Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-52.1-36.1-179.900000113.4L346 L348 S366 M372 S373L346-A369 HydrophobicContact CB-CB 4.11Å; L348-A369 HydrophobicContact CB-CB 3.91Å; S366-A369 VanDerWaalsContact O-CB 3.28Å; S366-A369 WeakPolarHBondContact O-CB 3.43Å; S366-A369 PolarHBondContact O-N 3.01Å; A369-M372 PolarHBondContact O-N 2.96Å; A369-S373 PolarHBondContact O-N 2.8Å
370I89.6Confident95Very high10 Ų1022.9 Ų22.95%0.05112%0.117CC..Hα-helixtrans-69.3-41.6177.5-77.3147.1000112.3N27 V322 L346 Q368 M372 S373 T374N27-I370 HydrophobicContact CB-CG2 3.35Å; N27-I370 WeakPolarHBondContact O-CD1 3.49Å; V322-I370 HydrophobicContact CG1-CD1 4.42Å; V322-I370 HydrophobicContact CG1-CG1 3.75Å; L346-I370 HydrophobicContact CD1-CD1 3.73Å; L346-I370 HydrophobicContact CD2-CD1 3.89Å; L346-I370 HydrophobicContact CG-CD1 4.41Å; Q368-I370 PolarHBondContact O-N 3.05Å; Q368-I370 VanDerWaalsContact O-N 3.09Å; I370-M372 VanDerWaalsContact C-N 3.35Å; I370-S373 PolarHBondContact O-N 3.18Å; I370-T374 PolarHBondContact O-N 3.09Å; I370-T374 PolarHBondContact O-OG1 2.92Å
371M94.1Very high94.7Very high3 Ų321.8 Ų21.82%0.01511%0.113CC..Hα-helixtrans-66.6-41.3175.9-174.360.8-171.300110F162 F174 R176 L271 F273 Q368 S373 T374 C375F162-M371 HydrophobicContact CD1-CE 3.78Å; F162-M371 HydrophobicContact CE1-CE 3.75Å; F174-M371 HydrophobicContact CB-CE 4.32Å; F174-M371 HydrophobicContact CB-CG 4.35Å; F174-M371 HydrophobicContact CD1-CE 4.4Å; R176-M371 VanDerWaalsContact CA-SD 3.55Å; L271-M371 HydrophobicContact CD1-CE 3.6Å; L271-M371 HydrophobicContact CD2-CE 4.41Å; F273-M371 HydrophobicContact CE1-CB 3.92Å; F273-M371 HydrophobicContact CE1-CG 3.66Å; F273-M371 HydrophobicContact CZ-CG 4.36Å; Q368-M371 HydrophobicContact CB-CB 4.45Å; Q368-M371 PolarHBondContact O-N 2.69Å; M371-S373 PolarHBondContact O-N 2.7Å; M371-T374 WeakPolarHBondContact O-CA 3.34Å; M371-T374 WeakPolarHBondContact O-CB 3.46Å; M371-T374 PolarHBondContact O-N 3.16Å; M371-C375 PolarHBondContact O-N 2.84Å; M371-C375 PolarHBondContact O-SG 3.32Å
372M96.8Very high94.4Very high0 Ų018.8 Ų18.80%010%0.102CC..Hα-helixtrans-58-46.6171.9-64.2172.7-175.500111.8F273 V289 L348 I364 Q368 A369 I370 T374 C375 L376F273-M372 HydrophobicContact CB-CE 3.55Å; F273-M372 HydrophobicContact CD1-CE 4.01Å; F273-M372 HydrophobicContact CD1-CG 3.86Å; F273-M372 HydrophobicContact CD2-CE 3.87Å; F273-M372 HydrophobicContact CD2-CG 3.79Å; F273-M372 HydrophobicContact CE1-CB 4.48Å; F273-M372 HydrophobicContact CE1-CG 3.64Å; F273-M372 HydrophobicContact CE2-CB 4.4Å; F273-M372 HydrophobicContact CE2-CG 3.59Å; F273-M372 HydrophobicContact CG-CE 3.53Å; F273-M372 HydrophobicContact CG-CG 3.93Å; F273-M372 HydrophobicContact CZ-CB 4.12Å; F273-M372 HydrophobicContact CZ-CG 3.5Å; V289-M372 HydrophobicContact CB-CE 3.97Å; V289-M372 HydrophobicContact CG1-CE 4.39Å; V289-M372 HydrophobicContact CG1-SD 4.47Å; V289-M372 HydrophobicContact CG2-CE 4.23Å; L348-M372 HydrophobicContact CD2-CB 3.44Å; L348-M372 VanDerWaalsContact CD2-CB 3.44Å; L348-M372 HydrophobicContact CD2-CG 4.48Å; L348-M372 HydrophobicContact CD2-SD 4.34Å; I364-M372 HydrophobicContact CD1-SD 3.97Å; I364-M372 HydrophobicContact CG2-CE 4.19Å; I364-M372 HydrophobicContact CG2-SD 3.97Å; Q368-M372 WeakPolarHBondContact O-CG 3.14Å; Q368-M372 PolarHBondContact O-N 3.11Å; A369-M372 PolarHBondContact O-N 2.96Å; I370-M372 VanDerWaalsContact C-N 3.35Å; M372-T374 PolarHBondContact O-N 3.3Å; M372-C375 WeakPolarHBondContact O-CB 3.29Å; M372-C375 PolarHBondContact O-N 3.11Å; M372-C375 VanDerWaalsContact O-N 3.16Å; M372-L376 PolarHBondContact O-N 2.98Å
373S93.8Very high94.1Very high13 Ų1320.3 Ų20.39%0.09111%0.11CC..Hα-helixtrans-61-34.2174.2177.20000112.6W320 V322 A369 I370 M371 Q377W320-S373 PolarHBondContact NE1-OG 3.46Å; V322-S373 VanDerWaalsContact CG2-CB 3.49Å; A369-S373 PolarHBondContact O-N 2.8Å; I370-S373 PolarHBondContact O-N 3.18Å; M371-S373 PolarHBondContact O-N 2.7Å; S373-Q377 PolarHBondContact O-N 2.62Å
374T92.2Very high93.7Very high24 Ų2423.1 Ų23.115%0.14712%0.123CC..Hα-helixtrans-69.6-37.7177.2-58.20000110.6K177 I370 M371 M372 S378K177-T374 HydrophobicContact CB-CG2 4.24Å; I370-T374 PolarHBondContact O-N 3.09Å; I370-T374 PolarHBondContact O-OG1 2.92Å; M371-T374 WeakPolarHBondContact O-CA 3.34Å; M371-T374 WeakPolarHBondContact O-CB 3.46Å; M371-T374 PolarHBondContact O-N 3.16Å; M372-T374 PolarHBondContact O-N 3.3Å; T374-S378 VanDerWaalsContact O-CB 3.29Å; T374-S378 WeakPolarHBondContact O-CB 3.5Å; T374-S378 PolarHBondContact O-N 2.95Å
375C96.5Very high93.2Very high4 Ų424.4 Ų24.43%0.02713%0.13CC..Hα-helixtrans-64-45.2172.7-630000112W205 A291 M371 M372 S378 M379W205-C375 HydrophobicContact CH2-CB 3.73Å; W205-C375 HydrophobicContact CZ2-CB 3.78Å; A291-C375 HydrophobicContact CB-CB 3.69Å; M371-C375 PolarHBondContact O-N 2.84Å; M371-C375 PolarHBondContact O-SG 3.32Å; M372-C375 WeakPolarHBondContact O-CB 3.29Å; M372-C375 PolarHBondContact O-N 3.11Å; M372-C375 VanDerWaalsContact O-N 3.16Å; C375-S378 PolarHBondContact O-N 3.1Å; C375-M379 WeakPolarHBondContact O-CG 3.47Å; C375-M379 PolarHBondContact O-N 3.41Å
376L96.4Very high92.6Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-56.6-52.1175.2-73.8179000111.8L296 V314 M317 W320 L348 M372 S378 M379 V380L296-L376 HydrophobicContact CD1-CD1 4.2Å; L296-L376 HydrophobicContact CD1-CD2 3.92Å; L296-L376 HydrophobicContact CD1-CG 4.25Å; L296-L376 HydrophobicContact CD2-CD2 4.07Å; L296-L376 HydrophobicContact CD2-CG 4.49Å; L296-L376 HydrophobicContact CG-CD2 3.79Å; L296-L376 HydrophobicContact CG-CG 4.49Å; V314-L376 HydrophobicContact CG2-CD2 3.93Å; M317-L376 HydrophobicContact CE-CD2 4.08Å; M317-L376 HydrophobicContact SD-CD1 4.26Å; M317-L376 HydrophobicContact SD-CD2 3.59Å; M317-L376 VanDerWaalsContact SD-CD2 3.59Å; W320-L376 HydrophobicContact CB-CD1 4.28Å; W320-L376 HydrophobicContact CD2-CB 4.28Å; W320-L376 HydrophobicContact CD2-CD1 3.92Å; W320-L376 HydrophobicContact CE3-CB 4.5Å; W320-L376 HydrophobicContact CE3-CD1 4.31Å; W320-L376 HydrophobicContact CG-CD1 3.88Å; W320-L376 HydrophobicContact CH2-CB 4.31Å; W320-L376 HydrophobicContact CZ2-CB 4.06Å; W320-L376 HydrophobicContact CZ3-CB 4.5Å; L348-L376 HydrophobicContact CD1-CD1 4.31Å; L348-L376 HydrophobicContact CD2-CD1 4.04Å; M372-L376 PolarHBondContact O-N 2.98Å; L376-S378 VanDerWaalsContact C-N 3.3Å; L376-S378 PolarHBondContact O-N 2.8Å; L376-M379 HydrophobicContact CD2-CE 4.05Å; L376-M379 PolarHBondContact O-N 3Å; L376-V380 WeakPolarHBondContact O-CG2 3.43Å; L376-V380 PolarHBondContact O-N 3.02Å
377Q92.3Very high92.2Very high58 Ų5833.5 Ų33.527%0.27117%0.165SC..Hα-helixtrans-56.8-46.5177.9-173.465.861.500111.2W320 S373 M379 V380 D381W320-Q377 HydrophobicContact CZ2-CB 4.14Å; S373-Q377 PolarHBondContact O-N 2.62Å; Q377-M379 PolarHBondContact O-N 2.91Å; Q377-V380 PolarHBondContact O-N 3.36Å; Q377-D381 PolarHBondContact NE2-OD1 3.27Å; Q377-D381 PolarHBondContact O-N 3.25Å
378S93.2Very high91.9Very high23 Ų2332.7 Ų32.716%0.16117%0.171CC..Hα-helixtrans-63.2-39-178.9-173.70000112.7W205 T374 C375 L376 E382W205-S378 VanDerWaalsContact NE1-CB 3.3Å; W205-S378 PolarHBondContact NE1-OG 3.15Å; T374-S378 VanDerWaalsContact O-CB 3.29Å; T374-S378 WeakPolarHBondContact O-CB 3.5Å; T374-S378 PolarHBondContact O-N 2.95Å; C375-S378 PolarHBondContact O-N 3.1Å; L376-S378 VanDerWaalsContact C-N 3.3Å; L376-S378 PolarHBondContact O-N 2.8Å; S378-E382 WeakPolarHBondContact O-CB 3.44Å; S378-E382 PolarHBondContact O-N 3.36Å; S378-E382 VanDerWaalsContact O-N 3.12Å
379M95.6Very high91.2Very high0 Ų035.9 Ų35.90%021%0.205CC..Hα-helixtrans-66.6-41.6174.1-72.3-174.2-71.200111.9W205 A291 N294 L296 V314 C375 L376 Q377 E382 L383W205-M379 HydrophobicContact CB-CG 4.31Å; W205-M379 HydrophobicContact CD2-CG 3.57Å; W205-M379 HydrophobicContact CD2-SD 4.3Å; W205-M379 HydrophobicContact CE3-CG 4.27Å; W205-M379 HydrophobicContact CE3-SD 4.43Å; W205-M379 HydrophobicContact CG-CG 3.55Å; W205-M379 HydrophobicContact CZ2-CG 4.36Å; A291-M379 HydrophobicContact CB-CE 4.23Å; N294-M379 VanDerWaalsContact CA-SD 3.59Å; L296-M379 HydrophobicContact CD2-CE 4.47Å; V314-M379 HydrophobicContact CG2-CB 4.26Å; V314-M379 HydrophobicContact CG2-CE 3.71Å; V314-M379 HydrophobicContact CG2-SD 4.16Å; C375-M379 WeakPolarHBondContact O-CG 3.47Å; C375-M379 PolarHBondContact O-N 3.41Å; L376-M379 HydrophobicContact CD2-CE 4.05Å; L376-M379 PolarHBondContact O-N 3Å; Q377-M379 PolarHBondContact O-N 2.91Å; M379-E382 PolarHBondContact O-N 2.75Å; M379-L383 WeakPolarHBondContact O-CG 3.16Å; M379-L383 PolarHBondContact O-N 3.11Å
380V93.4Very high90.4Very high6 Ų637.6 Ų37.64%0.03622%0.223CC..Hα-helixtrans-61.9-48.4175.2170.60000110.9V314 W320 L376 Q377 E382 L383 M384 A463 F464V314-V380 HydrophobicContact CG1-CG2 3.38Å; W320-V380 HydrophobicContact CH2-CB 4.44Å; W320-V380 HydrophobicContact CH2-CG2 3.82Å; W320-V380 HydrophobicContact CZ3-CG2 3.98Å; L376-V380 WeakPolarHBondContact O-CG2 3.43Å; L376-V380 PolarHBondContact O-N 3.02Å; Q377-V380 PolarHBondContact O-N 3.36Å; V380-E382 VanDerWaalsContact C-N 3.29Å; V380-E382 PolarHBondContact O-N 2.67Å; V380-L383 PolarHBondContact O-N 2.9Å; V380-L383 VanDerWaalsContact O-N 3.16Å; V380-M384 HydrophobicContact CG1-CG 4.15Å; V380-M384 VanDerWaalsContact O-CG 3.28Å; V380-M384 WeakPolarHBondContact O-CG 3.22Å; V380-M384 PolarHBondContact O-N 2.83Å; V380-A463 VanDerWaalsContact CG1-O 3.3Å; V380-A463 WeakPolarHBondContact CG1-O 3.12Å; V380-A463 HydrophobicContact CG2-CB 4.2Å; V380-F464 HydrophobicContact CG2-CZ 4.44Å
381D90.1Very high89.8Confident57 Ų5739.7 Ų39.731%0.30524%0.238SC..Hα-helixtrans-56.5-45.5179.4-66.4-12.6000111Q377 M384 V385Q377-D381 PolarHBondContact NE2-OD1 3.27Å; Q377-D381 PolarHBondContact O-N 3.25Å; D381-M384 PolarHBondContact O-N 2.82Å; D381-V385 WeakPolarHBondContact O-CG2 3.34Å; D381-V385 PolarHBondContact O-N 3.15Å
382E92.5Very high88.9Confident4 Ų440 Ų402%0.01924%0.24CC..Hα-helixtrans-63.3-43177.8-170.8-178.2131.900112.4W205 D206 Y209 S378 M379 V380 V385 K386 I392W205-E382 PolarHBondContact N-OE2 2.79Å; D206-E382 WeakPolarHBondContact CB-OE1 3.46Å; D206-E382 PolarHBondContact N-OE1 3.04Å; Y209-E382 HydrophobicContact CE2-CG 4.2Å; Y209-E382 WeakPolarHBondContact CE2-OE1 3.48Å; S378-E382 WeakPolarHBondContact O-CB 3.44Å; S378-E382 PolarHBondContact O-N 3.36Å; S378-E382 VanDerWaalsContact O-N 3.12Å; M379-E382 PolarHBondContact O-N 2.75Å; V380-E382 VanDerWaalsContact C-N 3.29Å; V380-E382 PolarHBondContact O-N 2.67Å; E382-V385 PolarHBondContact O-N 2.94Å; E382-K386 WeakPolarHBondContact O-CG 2.95Å; E382-K386 PolarHBondContact O-N 3.37Å; E382-K386 VanDerWaalsContact O-N 3.08Å; E382-K386 IonicContact OE1-NZ 2.65Å; E382-K386 PolarHBondContact OE1-NZ 3.22Å; E382-I392 HydrophobicContact CG-CD1 3.83Å
383L91.6Very high87.6Confident33 Ų3344.3 Ų44.317%0.17326%0.259CS..Hα-helixtrans-62.7-41.7176-75.8171.3000112N294 V314 T315 M379 V380 K386 K387 F464N294-L383 HydrophobicContact CB-CD1 4.16Å; V314-L383 HydrophobicContact CG1-CD1 4.31Å; T315-L383 HydrophobicContact CG2-CD1 4.27Å; M379-L383 WeakPolarHBondContact O-CG 3.16Å; M379-L383 PolarHBondContact O-N 3.11Å; V380-L383 PolarHBondContact O-N 2.9Å; V380-L383 VanDerWaalsContact O-N 3.16Å; L383-K386 PolarHBondContact O-N 3.42Å; L383-K387 WeakPolarHBondContact O-CB 3.42Å; L383-K387 PolarHBondContact O-N 2.66Å; L383-F464 HydrophobicContact CD1-CZ 4.16Å
384M88.8Confident86.4Confident88 Ų8850.9 Ų50.943%0.43329%0.286SS..Hα-helixtrans-66.7-37.4179.1-69.7-59.2-7200112V380 D381 S388 F464V380-M384 HydrophobicContact CG1-CG 4.15Å; V380-M384 VanDerWaalsContact O-CG 3.28Å; V380-M384 WeakPolarHBondContact O-CG 3.22Å; V380-M384 PolarHBondContact O-N 2.83Å; D381-M384 PolarHBondContact O-N 2.82Å; M384-S388 WeakPolarHBondContact O-CB 3.32Å; M384-S388 PolarHBondContact O-N 3.37Å; M384-S388 VanDerWaalsContact O-N 3.11Å; M384-S388 PolarHBondContact O-OG 3.08Å; M384-F464 HydrophobicContact SD-CD1 3.89Å; M384-F464 HydrophobicContact SD-CE1 3.97Å
385V87.6Confident85.5Confident26 Ų2651.7 Ų51.716%0.15829%0.289CS..Hα-helixtrans-64-43.2172.8170.20000111.3D381 E382 S388 G389 G390 I392 M395D381-V385 WeakPolarHBondContact O-CG2 3.34Å; D381-V385 PolarHBondContact O-N 3.15Å; E382-V385 PolarHBondContact O-N 2.94Å; V385-S388 PolarHBondContact O-N 3.18Å; V385-S388 PolarHBondContact O-OG 3.4Å; V385-G389 PolarHBondContact O-N 3.21Å; V385-G390 WeakPolarHBondContact O-CA 3.41Å; V385-G390 PolarHBondContact O-N 3.41Å; V385-I392 HydrophobicContact CG1-CD1 4.25Å; V385-M395 HydrophobicContact CB-SD 4.35Å; V385-M395 HydrophobicContact CG2-CB 4.13Å; V385-M395 HydrophobicContact CG2-CG 4.02Å; V385-M395 HydrophobicContact CG2-SD 3.56Å; V385-M395 VanDerWaalsContact CG2-SD 3.56Å
386K86.2Confident84.2Confident67 Ų6752 Ų5229%0.29129%0.29SS..Hα-helixtrans-64.5-46176.5-74.1174.3-176.3165.20112.6D206 Y209 E382 L383 S388 G389D206-K386 VanDerWaalsContact CG-NZ 3.25Å; D206-K386 WeakPolarHBondContact OD2-CE 3.33Å; D206-K386 IonicContact OD2-NZ 3.72Å; D206-K386 PolarHBondContact OD2-NZ 3.15Å; Y209-K386 WeakPolarHBondContact OH-CE 3.34Å; E382-K386 WeakPolarHBondContact O-CG 2.95Å; E382-K386 PolarHBondContact O-N 3.37Å; E382-K386 VanDerWaalsContact O-N 3.08Å; E382-K386 IonicContact OE1-NZ 2.65Å; E382-K386 PolarHBondContact OE1-NZ 3.22Å; L383-K386 PolarHBondContact O-N 3.42Å; K386-S388 PolarHBondContact O-N 3.14Å; K386-G389 PolarHBondContact O-N 2.86Å
387K85.8Confident82.5Confident175 Ų17557.9 Ų57.976%0.76131%0.312SS*.Hα-helixtrans-60.5-35.6-179.5-172.7177.2-179.7178.10112.1L383 G389L383-K387 WeakPolarHBondContact O-CB 3.42Å; L383-K387 PolarHBondContact O-N 2.66Å; K387-G389 PolarHBondContact O-N 2.83Å
388S85Confident80.6Confident91 Ų9165.5 Ų65.564%0.63634%0.338SS*.THydrogen-bonded Turntrans-80.31.9176.954.90000114.3M384 V385 K386 G390M384-S388 WeakPolarHBondContact O-CB 3.32Å; M384-S388 PolarHBondContact O-N 3.37Å; M384-S388 VanDerWaalsContact O-N 3.11Å; M384-S388 PolarHBondContact O-OG 3.08Å; V385-S388 PolarHBondContact O-N 3.18Å; V385-S388 PolarHBondContact O-OG 3.4Å; K386-S388 PolarHBondContact O-N 3.14Å; S388-G390 PolarHBondContact O-N 2.96Å
389G80.4Confident78.6Confident71 Ų7168.2 Ų68.273%0.73235%0.345SS*.THydrogen-bonded Turntrans6516.6-172.200000113V385 K386 K387V385-G389 PolarHBondContact O-N 3.21Å; K386-G389 PolarHBondContact O-N 2.86Å; K387-G389 PolarHBondContact O-N 2.83Å
390G77.2Confident76.2Confident37 Ų3769.8 Ų69.838%0.38135%0.352SS..  trans-69.2155.2179.800000111.9V385 S388V385-G390 WeakPolarHBondContact O-CA 3.41Å; V385-G390 PolarHBondContact O-N 3.41Å; S388-G390 PolarHBondContact O-N 2.96Å
391S76.9Confident73.5Confident53 Ų5375.6 Ų75.637%0.37138%0.383SS..  trans-86.5120.8175.2176.70000109.9K393 K394 M395S391-K393 PolarHBondContact O-N 3.01Å; S391-K393 PolarHBondContact OG-N 3.46Å; S391-K394 WeakPolarHBondContact O-CA 3.49Å; S391-K394 WeakPolarHBondContact O-CB 3.26Å; S391-K394 PolarHBondContact O-N 2.97Å; S391-K394 PolarHBondContact OG-N 3.45Å; S391-M395 PolarHBondContact O-N 3.02Å
392I74.4Confident71.2Confident9 Ų975.9 Ų75.95%0.04640%0.4CS..Hα-helixtrans-57.4-37.6171.7-156.771000111Y209 E382 V385 K394 M395 L396Y209-I392 HydrophobicContact CD1-CG2 3.78Å; Y209-I392 HydrophobicContact CE1-CB 3.93Å; Y209-I392 HydrophobicContact CE1-CG1 4.32Å; Y209-I392 HydrophobicContact CE1-CG2 3.31Å; Y209-I392 HydrophobicContact CE2-CB 4.27Å; Y209-I392 HydrophobicContact CE2-CD1 4.22Å; Y209-I392 HydrophobicContact CE2-CG1 3.78Å; Y209-I392 HydrophobicContact CE2-CG2 4.25Å; Y209-I392 HydrophobicContact CG-CG2 4.45Å; Y209-I392 WeakPolarHBondContact OH-CB 3.36Å; E382-I392 HydrophobicContact CG-CD1 3.83Å; V385-I392 HydrophobicContact CG1-CD1 4.25Å; I392-K394 PolarHBondContact O-N 2.94Å; I392-M395 HydrophobicContact CD1-CB 4.45Å; I392-M395 HydrophobicContact CD1-CE 3.27Å; I392-M395 HydrophobicContact CD1-SD 3.87Å; I392-M395 HydrophobicContact CG1-CE 4.08Å; I392-M395 WeakPolarHBondContact O-CA 3.34Å; I392-M395 WeakPolarHBondContact O-CB 3.24Å; I392-M395 PolarHBondContact O-N 3.19Å; I392-L396 HydrophobicContact CG1-CD1 4.07Å; I392-L396 HydrophobicContact CG1-CG 4.17Å; I392-L396 WeakPolarHBondContact O-CB 3.46Å; I392-L396 VanDerWaalsContact O-CG 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.23Å; I392-L396 PolarHBondContact O-N 3.06Å
393K70.3Confident68.2Low91 Ų9180 Ų8040%0.39643%0.429SS..Hα-helixtrans-57.1-37.5176.4-67.5-178.1176.6177.70110.4Y158 D212 S391 R397Y158-K393 WeakPolarHBondContact OH-CE 3.5Å; Y158-K393 WeakPolarHBondContact OH-CG 3.36Å; D212-K393 VanDerWaalsContact CG-CE 3.47Å; D212-K393 VanDerWaalsContact OD1-CE 3.31Å; D212-K393 WeakPolarHBondContact OD1-CE 3.18Å; D212-K393 IonicContact OD1-NZ 3.71Å; D212-K393 PolarHBondContact OD1-NZ 3.27Å; D212-K393 WeakPolarHBondContact OD2-CE 3.49Å; D212-K393 IonicContact OD2-NZ 2.64Å; S391-K393 PolarHBondContact O-N 3.01Å; S391-K393 PolarHBondContact OG-N 3.46Å; K393-R397 WeakPolarHBondContact O-CB 3.44Å; K393-R397 WeakPolarHBondContact O-CG 3.5Å; K393-R397 PolarHBondContact O-N 3.2Å
394K69.1Low65.8Low151 Ų15185.2 Ų85.266%0.65746%0.456SS*.Hα-helixtrans-73.1-35.4173.5-67.7-177.8-177.8178.40113.1S391 I392 R398S391-K394 WeakPolarHBondContact O-CA 3.49Å; S391-K394 WeakPolarHBondContact O-CB 3.26Å; S391-K394 PolarHBondContact O-N 2.97Å; S391-K394 PolarHBondContact OG-N 3.45Å; I392-K394 PolarHBondContact O-N 2.94Å; K394-R398 WeakPolarHBondContact O-CA 3.21Å; K394-R398 WeakPolarHBondContact O-CB 3.48Å; K394-R398 PolarHBondContact O-N 2.69Å
395M72.6Confident63.1Low42 Ų4288.3 Ų88.321%0.20747%0.469CS..Hα-helixtrans-64.1-44.3174.4-175.2-166.677.300111.2V385 S391 I392V385-M395 HydrophobicContact CB-SD 4.35Å; V385-M395 HydrophobicContact CG2-CB 4.13Å; V385-M395 HydrophobicContact CG2-CG 4.02Å; V385-M395 HydrophobicContact CG2-SD 3.56Å; V385-M395 VanDerWaalsContact CG2-SD 3.56Å; S391-M395 PolarHBondContact O-N 3.02Å; I392-M395 HydrophobicContact CD1-CB 4.45Å; I392-M395 HydrophobicContact CD1-CE 3.27Å; I392-M395 HydrophobicContact CD1-SD 3.87Å; I392-M395 HydrophobicContact CG1-CE 4.08Å; I392-M395 WeakPolarHBondContact O-CA 3.34Å; I392-M395 WeakPolarHBondContact O-CB 3.24Å; I392-M395 PolarHBondContact O-N 3.19Å
396L69.9Low60.8Low10 Ų1096.8 Ų96.85%0.05250%0.498CS..Hα-helixtrans-71.8-38.5179-60.4177.2000111.2G157 Y158 I392G157-L396 WeakPolarHBondContact O-CB 3.46Å; G157-L396 WeakPolarHBondContact O-CD2 3.14Å; Y158-L396 HydrophobicContact CD1-CD1 4Å; Y158-L396 HydrophobicContact CD2-CD1 4.26Å; Y158-L396 HydrophobicContact CE1-CD1 4.19Å; Y158-L396 HydrophobicContact CE2-CD1 4.44Å; Y158-L396 HydrophobicContact CG-CD1 4.06Å; I392-L396 HydrophobicContact CG1-CD1 4.07Å; I392-L396 HydrophobicContact CG1-CG 4.17Å; I392-L396 WeakPolarHBondContact O-CB 3.46Å; I392-L396 VanDerWaalsContact O-CG 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.23Å; I392-L396 PolarHBondContact O-N 3.06Å
397R60.1Low58.2Low123 Ų12397.1 Ų97.146%0.46451%0.509SS..Hα-helixtrans-75.5-26.8173.7-75.8-172.5-178.3-164.13.2115K393 R399 H400 N401K393-R397 WeakPolarHBondContact O-CB 3.44Å; K393-R397 WeakPolarHBondContact O-CG 3.5Å; K393-R397 PolarHBondContact O-N 3.2Å; R397-R399 PolarHBondContact O-N 2.95Å; R397-H400 CarbonylContact O-C 3.45Å; R397-H400 WeakPolarHBondContact O-CA 3.24Å; R397-H400 WeakPolarHBondContact O-CB 3.45Å; R397-H400 PolarHBondContact O-N 3.38Å; R397-N401 PolarHBondContact O-N 3.5Å
398R51.8Low55.7Low218 Ų21895.8 Ų95.882%0.82351%0.51SS*.Hα-helixtrans-62.7-23.3177.7-105.6-173.2169.7-175-3112.3K394K394-R398 WeakPolarHBondContact O-CA 3.21Å; K394-R398 WeakPolarHBondContact O-CB 3.48Å; K394-R398 PolarHBondContact O-N 2.69Å
399R51.7Low53.4Low80 Ų8096.4 Ų96.430%0.30251%0.514SS..Hα-helixtrans-66.4-55.4167.6-60.3-174.9-166.5-143.5-0.8109.4E139 R397 N401E139-R399 WeakPolarHBondContact OE1-CA 3.37Å; E139-R399 VanDerWaalsContact OE1-CB 3.32Å; E139-R399 WeakPolarHBondContact OE1-CB 3.09Å; R397-R399 PolarHBondContact O-N 2.95Å; R399-N401 PolarHBondContact O-N 3.11Å
400H45.6Very low51.5Low34 Ų3497.6 Ų97.616%0.15750%0.501CS..Hα-helixtrans-63.7-21.4-179.1-169.773.6000117.7D143 R397 G402D143-H400 IonicContact OD1-CE1 2.62Å; D143-H400 PolarHBondContact OD1-CE1 3.38Å; D143-H400 VanDerWaalsContact OD1-CE1 3.31Å; D143-H400 IonicContact OD1-ND1 2.79Å; D143-H400 PolarHBondContact OD1-ND1 3.24Å; D143-H400 IonicContact OD2-CE1 3.5Å; D143-H400 PolarHBondContact OD2-CE1 3.1Å; D143-H400 IonicContact OD2-ND1 3.77Å; R397-H400 CarbonylContact O-C 3.45Å; R397-H400 WeakPolarHBondContact O-CA 3.24Å; R397-H400 WeakPolarHBondContact O-CB 3.45Å; R397-H400 PolarHBondContact O-N 3.38Å; H400-G402 VanDerWaalsContact C-N 3.34Å; H400-G402 PolarHBondContact O-N 3.38Å
401N36.8Very low49.3Very low128 Ų128102.7 Ų102.768%0.68451%0.514SS*.THydrogen-bonded Turntrans-88.415.5-169.4-112.937.5000115.8R397 R399 S403R397-N401 PolarHBondContact O-N 3.5Å; R399-N401 PolarHBondContact O-N 3.11Å; N401-S403 VanDerWaalsContact C-N 3.27Å; N401-S403 PolarHBondContact O-N 3.4Å
402G40.6Very low47.3Very low63 Ų63104.6 Ų104.665%0.64953%0.533SS*.SBendtrans-71.677.8169.200000111.5H400H400-G402 VanDerWaalsContact C-N 3.34Å; H400-G402 PolarHBondContact O-N 3.38Å
403S30.6Very low45.1Very low91 Ų91109.1 Ų109.164%0.63656%0.561SS**  trans35.793.2164.8167.90000115.5N401 H405N401-S403 VanDerWaalsContact C-N 3.27Å; N401-S403 PolarHBondContact O-N 3.4Å; S403-H405 PolarHBondContact O-N 3.17Å
404I39.8Very low43.1Very low142 Ų142114 Ų11473%0.72858%0.582SS**  trans-61.982.2163.6-55.8169.4000108.9
405H33.6Very low41.2Very low153 Ų153112.1 Ų112.171%0.70859%0.588SS**  trans-141113152.7-88.1-65.1000104.7S403 S407S403-H405 PolarHBondContact O-N 3.17Å; H405-S407 PolarHBondContact O-N 3.33Å
406R38.2Very low39Very low204 Ų204115.3 Ų115.377%0.7761%0.612SS**  trans-47.9101.4150.3-84.6-176.6171177.4-4.4104.8D408R406-D408 PolarHBondContact O-N 2.98Å; R406-D408 VanDerWaalsContact O-N 3.13Å
407S32.8Very low37.1Very low74 Ų74120.4 Ų120.452%0.51765%0.646SS.*  trans-60.5123.4171.7-68.30000104.1H405 S409 Q410H405-S407 PolarHBondContact O-N 3.33Å; S407-S409 WeakPolarHBondContact CB-OG 3.18Å; S407-S409 PolarHBondContact O-N 3.29Å; S407-Q410 PolarHBondContact O-N 3.28Å; S407-Q410 VanDerWaalsContact O-N 3.12Å
408D31.4Very low35.9Very low147 Ų147121.2 Ų121.279%0.78666%0.658SS**G310 helixtrans-54.40.4176.4-81-39.7000113.3R406 Q410R406-D408 PolarHBondContact O-N 2.98Å; R406-D408 VanDerWaalsContact O-N 3.13Å; D408-Q410 VanDerWaalsContact C-N 3.3Å
409S37.9Very low34.9Very low104 Ų104119.2 Ų119.273%0.72766%0.663SS**G310 helixtrans-70.8-11.6170.4-26.60000115.1S407S407-S409 WeakPolarHBondContact CB-OG 3.18Å; S407-S409 PolarHBondContact O-N 3.29Å
410Q39.3Very low33.8Very low96 Ų96122.6 Ų122.645%0.44969%0.687SS.*G310 helixtrans-99.226.2178.5-69.9-173.6-6.700113.7S407 D408S407-Q410 PolarHBondContact O-N 3.28Å; S407-Q410 VanDerWaalsContact O-N 3.12Å; D408-Q410 VanDerWaalsContact C-N 3.3Å
411Q32Very low33.3Very low143 Ų143126 Ų12667%0.66872%0.715SS**SBendtrans-63.8148160.7-75.9-175.6-1.800109.6V413Q411-V413 HydrophobicContact CB-CG2 4.24Å; Q411-V413 PolarHBondContact O-N 3.41Å
412A34.2Very low33Very low93 Ų93126.1 Ų126.177%0.76972%0.723SS**  trans-61.477.2170.300000110.3
413V28Very low32.5Very low105 Ų105129.3 Ų129.364%0.63673%0.725SS**  trans-89.6115.1174.8-175.60000106.5Q411 S415Q411-V413 HydrophobicContact CB-CG2 4.24Å; Q411-V413 PolarHBondContact O-N 3.41Å; V413-S415 PolarHBondContact O-N 2.81Å
414K29.5Very low32.6Very low193 Ų193130.9 Ų130.984%0.83973%0.733SS**  trans-46.6128.2166-70.9179.4176.6179.40108.6
415S29.2Very low32.5Very low111 Ų111128 Ų12878%0.77673%0.725SS**  trans-39.1119.9179.9-32.60000111.4V413V413-S415 PolarHBondContact O-N 2.81Å
416P25.9Very low32.3Very low110 Ų110132.1 Ų132.171%0.71474%0.735SS**  trans-66.3138.1164.1-9.624.2000108.2
417P30.4Very low31.9Very low116 Ų116131 Ų13175%0.75374%0.738SS**  trans-72.6137.3172.328.9-29.5000110.8
418L34.1Very low31.6Very low140 Ų140136.1 Ų136.173%0.73375%0.754SS**  trans49.4121.1152.1-61.6168.3000119.7D420L418-D420 PolarHBondContact O-N 2.99Å
419L31.3Very low31.4Very low176 Ų176136 Ų13692%0.92175%0.751SS**  trans-77.3102.8146.5-81.6165.4000108.1
420D28.9Very low30.9Very low151 Ų151137.2 Ų137.281%0.80775%0.754SS**PPolyproline II helixtrans-58.3136.6164.5-105.7-23.1000110L418L418-D420 PolarHBondContact O-N 2.99Å
421S34Very low30.3Very low105 Ų105141.4 Ų141.473%0.73477%0.771SS**PPolyproline II helixtrans-75.1141.8172.6-60.40000109.4D423S421-D423 PolarHBondContact O-N 3.19Å
422P32.2Very low30Very low131 Ų131142.4 Ų142.485%0.85178%0.78SS**PPolyproline II helixtrans-67.4118.1168.525.8-29.2000109.3
423D29.3Very low29.6Very low130 Ų130143 Ų14370%0.69578%0.779SS**PPolyproline II helixtrans-59.5140.6174.2-16539000111S421 S425S421-D423 PolarHBondContact O-N 3.19Å; D423-S425 VanDerWaalsContact C-N 3.33Å; D423-S425 PolarHBondContact O-N 2.73Å; D423-S425 PolarHBondContact OD2-OG 3.03Å
424P33.1Very low29.6Very low124 Ų124144 Ų14481%0.80579%0.786SS**SBendtrans-88.372.1-176.135.4-25.9000109.3
425S36.4Very low29.5Very low81 Ų81143.9 Ų143.957%0.56679%0.785SS**  trans-15164.1176.463.80000113.1D423D423-S425 VanDerWaalsContact C-N 3.33Å; D423-S425 PolarHBondContact O-N 2.73Å; D423-S425 PolarHBondContact OD2-OG 3.03Å
426R30.7Very low29.3Very low241 Ų241145.6 Ų145.691%0.90979%0.785SS**  trans-16498.5150.1-114.7167.5173.2-173.8-2.4112.2Q428R426-Q428 PolarHBondContact O-N 3.23Å
427E29Very low29.2Very low179 Ų179147.1 Ų147.184%0.83679%0.787SS**  trans-61.9126.8159.1-68.9-179.1152.300109.7
428Q25.8Very low28.9Very low182 Ų182146.3 Ų146.385%0.8578%0.784SS**  trans-132.8107.6148.4-84.6-170.1-20.400109.2R426 V430R426-Q428 PolarHBondContact O-N 3.23Å; Q428-V430 PolarHBondContact O-N 3.1Å
429I28.5Very low28.5Very low144 Ų144146.9 Ų146.974%0.73879%0.793SS**  trans-60.3116.1170-65.1164.3000108.3
430V27.7Very low28.1Very low130 Ų130143.2 Ų143.279%0.78878%0.782SS**  trans-124.4104.3158.1-1780000108Q428Q428-V430 PolarHBondContact O-N 3.1Å
431K26.5Very low27.9Very low184 Ų184142.4 Ų142.480%0.878%0.777SS**  trans-60.3129.8165.5-75.2172.4172.8172.50108.6
432L26.2Very low27.4Very low164 Ų164148.5 Ų148.586%0.85978%0.784SS**  trans-142.8113.9146.4-13783.5000110.6
433S25.2Very low27Very low106 Ų106145.3 Ų145.374%0.74178%0.775SS**  trans-91.7135174.252.60000110.5
434T28.7Very low26.9Very low127 Ų127146.8 Ų146.878%0.77978%0.781SS**  trans-167.7106.2150.816.20000108.6
435K26.2Very low26.5Very low189 Ų189146.1 Ų146.182%0.82278%0.78SS**  54100105.9-77.1-174.7173.9-179.60113.6
436L24.3Very low25.9Very low148 Ų148146.7 Ų146.778%0.77579%0.789SS**  81.8121.585.4-91.2171.8000114.8
437N25.3Very low25.7Very low142 Ų142140 Ų14076%0.75978%0.779SS**  159.7106.3128.6-78.3-9000108.4
438S24.2Very low25.5Very low98 Ų98139.3 Ų139.369%0.68578%0.781SS**  56.199.575.576.80000115.1
439V24.1Very low25.6Very low153 Ų153136.3 Ų136.393%0.92778%0.781SS**  trans-142.3130.6140.4179.90000108
440S22.9Very low25.5Very low99 Ų99133.9 Ų133.969%0.69278%0.782SS**  trans-129.6141.8172.6-164.50000107.3
441L24.8Very low25.4Very low133 Ų133135.6 Ų135.670%0.69679%0.786SS**  148126.1127.8-78164.6000114.2
442R24.7Very low25.4Very low233 Ų233134.5 Ų134.588%0.87979%0.789SS**  trans59.1140.6135.7-67176.6-179.2-178.20.7119.3
443G24.1Very low25.5Very low65 Ų65134.2 Ų134.267%0.6779%0.787SS**  cis169.51621.900000113.4
444I25.2Very low25.5Very low160 Ų160134 Ų13482%0.82179%0.786SS**  trans63.8118.3143.4-45.4173.5000120.3
445S25.4Very low25.5Very low111 Ų111131.8 Ų131.878%0.77679%0.788SS**  -177.5102123.3-67.80000108.1
446A25Very low25.8Very low93 Ų93130 Ų13077%0.76979%0.788SS**  33.9133.3104.100000114.7
447S25Very low26.2Very low100 Ų100128.6 Ų128.670%0.69978%0.781SS**  cis180141.80.843.20000105
448N25Very low26.5Very low165 Ų165126 Ų12688%0.88276%0.763SS**  trans-166120139.2-96.9-12.6000110.3
449S27.7Very low27.8Very low119 Ų119126.9 Ų126.983%0.83276%0.756SS**  trans-84.3126.4179.947.80000111.1
450A26.4Very low29Very low93 Ų93120.2 Ų120.277%0.76972%0.718SS**  trans-143.4133146.900000106.8D452A450-D452 PolarHBondContact O-N 2.88Å; A450-D452 VanDerWaalsContact O-N 3.07Å
451N26.5Very low31.2Very low165 Ų165117.5 Ų117.588%0.88270%0.696SS**  trans-58.7105.4-169.7-69.8-34.2000112.5
452D25.4Very low33.2Very low161 Ų161117.8 Ų117.886%0.86169%0.689SS**  trans-86.3112.9158.3-89.8-28.4000108.7A450 S454A450-D452 PolarHBondContact O-N 2.88Å; A450-D452 VanDerWaalsContact O-N 3.07Å; D452-S454 PolarHBondContact O-N 3.06Å; D452-S454 VanDerWaalsContact O-N 3.08Å
453I29Very low34.8Very low159 Ų159107 Ų10782%0.81565%0.649SS**  trans-65.5106162.1-64.2169.7000105.6G455I453-G455 PolarHBondContact O-N 2.79Å; I453-G455 VanDerWaalsContact O-N 3.17Å
454S25.1Very low37Very low101 Ų101105.8 Ų105.871%0.70663%0.625SS**  trans-6.4101.5164.551.50000114.8D452 D456D452-S454 PolarHBondContact O-N 3.06Å; D452-S454 VanDerWaalsContact O-N 3.08Å; S454-D456 PolarHBondContact O-N 3.18Å
455G30.1Very low38.7Very low81 Ų81107.9 Ų107.984%0.83563%0.632SS**  trans-71.5101.115700000108.7I453I453-G455 PolarHBondContact O-N 2.79Å; I453-G455 VanDerWaalsContact O-N 3.17Å
456D31.2Very low40.2Very low151 Ų151105.6 Ų105.681%0.80763%0.625SS**  trans-144.3136.2162.7-121.5-12.9000107.8S454S454-D456 PolarHBondContact O-N 3.18Å
457D32.8Very low41.3Very low118 Ų118102.8 Ų102.863%0.63160%0.597SS**  trans71.943.1174.8-73.9-18.4000119.4K80K80-D457 IonicContact NZ-OD1 3.64Å
458F31.9Very low42.2Very low88 Ų8899.6 Ų99.639%0.38658%0.581SS.*  trans-101.8108.8160.3-164.4-96.9000111.8C319 W361 Y462C319-F458 VanDerWaalsContact SG-CZ 3.54Å; W361-F458 HydrophobicContact CH2-CE2 4.33Å; W361-F458 AromaticContact CH2-CZ 3.9Å; W361-F458 HydrophobicContact CH2-CZ 3.9Å; W361-F458 AromaticContact CZ2-CE2 3.99Å; W361-F458 HydrophobicContact CZ2-CE2 3.99Å; W361-F458 AromaticContact CZ2-CZ 3.79Å; W361-F458 HydrophobicContact CZ2-CZ 3.79Å; F458-Y462 AromaticContact CD1-CZ 3.95Å; F458-Y462 VanDerWaalsContact CD1-OH 3.27Å; F458-Y462 WeakPolarHBondContact CD1-OH 3.25Å; F458-Y462 HydrophobicContact CE1-CE1 4.38Å
459H50.9Low43.2Very low116 Ų11694.8 Ų94.854%0.53756%0.555SS.*  trans-11073.1172.9-69-9.8000110.3
460G50.8Low44.7Very low13 Ų1397 Ų9713%0.13456%0.557CS.*  trans-100.9150.9172.500000112.3Y462G460-Y462 WeakPolarHBondContact O-CD2 3.34Å; G460-Y462 PolarHBondContact O-N 3.13Å
461N68.1Low46Very low42 Ų4295.8 Ų95.823%0.22554%0.538CS..EExtended strand (participates in β ladder)trans-79.4110.2165.8-57.4-63.7000107.6C319 W320C319-N461 CarbonylContact C-O 3.46Å; C319-N461 WeakPolarHBondContact CA-O 3.45Å; C319-N461 WeakPolarHBondContact CB-O 3.36Å; W320-N461 HydrophobicContact CD2-CB 3.99Å; W320-N461 HydrophobicContact CG-CB 4.34Å; W320-N461 HydrophobicContact CH2-CB 4.42Å; W320-N461 HydrophobicContact CZ2-CB 3.78Å; W320-N461 PolarHBondContact N-O 2.72Å; W320-N461 PolarHBondContact NE1-ND2 2.82Å; W320-N461 PolarHBondContact O-N 3.36Å; W320-N461 PolarHBondContact O-ND2 2.87Å
462Y67.6Low47.1Very low140 Ų14093 Ų9355%0.54952%0.523SS..EExtended strand (participates in β ladder)trans-77.5134.9176.9-66-87.3000110.3C319 F458 G460C319-Y462 HydrophobicContact CB-CD1 4Å; C319-Y462 HydrophobicContact CB-CE1 4.4Å; C319-Y462 HydrophobicContact CB-CG 4.39Å; F458-Y462 AromaticContact CD1-CZ 3.95Å; F458-Y462 VanDerWaalsContact CD1-OH 3.27Å; F458-Y462 WeakPolarHBondContact CD1-OH 3.25Å; F458-Y462 HydrophobicContact CE1-CE1 4.38Å; G460-Y462 WeakPolarHBondContact O-CD2 3.34Å; G460-Y462 PolarHBondContact O-N 3.13Å
463A57Low48.2Very low5 Ų589.7 Ų89.74%0.04151%0.506CS..SBendtrans-78.6-43.3178.300000111.7M317 R318 W320 V380M317-A463 WeakPolarHBondContact O-CB 3.37Å; R318-A463 PolarHBondContact O-N 3.24Å; W320-A463 HydrophobicContact CE3-CB 4.39Å; W320-A463 HydrophobicContact CZ3-CB 3.67Å; V380-A463 VanDerWaalsContact CG1-O 3.3Å; V380-A463 WeakPolarHBondContact CG1-O 3.12Å; V380-A463 HydrophobicContact CG2-CB 4.2Å
464F71.3Confident49.2Very low40 Ų4086 Ų8618%0.17549%0.489CS..SBendtrans-144.7153.9-176.9-56-78.8000110.4V314 T315 V380 L383 M384 G466 I467V314-F464 HydrophobicContact CG1-CE2 4.35Å; V314-F464 HydrophobicContact CG1-CZ 4.43Å; T315-F464 HydrophobicContact CG2-CE2 4.5Å; T315-F464 HydrophobicContact CG2-CZ 4.32Å; V380-F464 HydrophobicContact CG2-CZ 4.44Å; L383-F464 HydrophobicContact CD1-CZ 4.16Å; M384-F464 HydrophobicContact SD-CD1 3.89Å; M384-F464 HydrophobicContact SD-CE1 3.97Å; F464-G466 PolarHBondContact O-N 3.18Å; F464-I467 HydrophobicContact CD2-CD1 4.41Å
465E61.1Low50.6Low205 Ų20585.2 Ų85.296%0.95848%0.477SS*.SBendtrans-71.696171.9-75.1-176.1171.500110
466G57.1Low51.8Low62 Ų6285.4 Ų85.464%0.63946%0.456SS*.  trans76.4126.3-17700000111.8F464F464-G466 PolarHBondContact O-N 3.18Å
467I46.6Very low53Low34 Ų3481.3 Ų81.317%0.17443%0.434CS..  trans-111.3125.8165.9-64-163.2000106.2M317 R318 L353 F464 D471M317-I467 WeakPolarHBondContact O-CD1 3.13Å; R318-I467 HydrophobicContact CB-CD1 4.18Å; L353-I467 HydrophobicContact CB-CG2 4.42Å; L353-I467 HydrophobicContact CD2-CG2 3.92Å; F464-I467 HydrophobicContact CD2-CD1 4.41Å; I467-D471 HydrophobicContact CG2-CB 4.28Å
468G45.3Very low54.4Low34 Ų3478.9 Ų78.935%0.35142%0.421SS..  trans-123177.6-175.400000112.6D470 D471G468-D470 PolarHBondContact O-N 3.08Å; G468-D470 VanDerWaalsContact O-N 3.14Å; G468-D471 PolarHBondContact N-OD2 2.92Å; G468-D471 VanDerWaalsContact N-OD2 3.1Å; G468-D471 WeakPolarHBondContact O-CB 3.37Å; G468-D471 PolarHBondContact O-N 3.45Å; G468-D471 VanDerWaalsContact O-N 3.08Å
469D46Very low56Low63 Ų6378.2 Ų78.234%0.33742%0.424SS..G310 helixtrans-61.2-19.1177.3-69.5-29.6000113.7K356 D471 L472K356-D469 WeakPolarHBondContact CE-OD2 3.27Å; K356-D469 WeakPolarHBondContact CG-OD1 3.46Å; K356-D469 IonicContact NZ-OD2 3.26Å; D469-D471 PolarHBondContact O-N 3.18Å; D469-L472 HydrophobicContact CB-CD1 4.28Å; D469-L472 WeakPolarHBondContact O-CB 3.45Å; D469-L472 WeakPolarHBondContact O-CG 3.46Å; D469-L472 PolarHBondContact O-N 2.64Å
470D59Low56.4Low165 Ų16575.3 Ų75.388%0.88242%0.415SS*.G310 helixtrans-70.2-13.4176.1-63.1-33.2000112.9G468G468-D470 PolarHBondContact O-N 3.08Å; G468-D470 VanDerWaalsContact O-N 3.14Å
471D54.2Low56.9Low68 Ų6880.5 Ų80.536%0.36444%0.438SS..G310 helixtrans-93.79178-58.8-56.3000113.1R316 I467 G468 D469R316-D471 PolarHBondContact NH1-O 3.46Å; I467-D471 HydrophobicContact CG2-CB 4.28Å; G468-D471 PolarHBondContact N-OD2 2.92Å; G468-D471 VanDerWaalsContact N-OD2 3.1Å; G468-D471 WeakPolarHBondContact O-CB 3.37Å; G468-D471 PolarHBondContact O-N 3.45Å; G468-D471 VanDerWaalsContact O-N 3.08Å; D469-D471 PolarHBondContact O-N 3.18Å
472L49.2Very low55.8Low108 Ų10884 Ų8457%0.56546%0.458SS*.  trans-80.80-176-75.6173.2000116.3R316 L353 K356 D469R316-L472 VanDerWaalsContact NH1-C 3.34Å; R316-L472 VanDerWaalsContact NH1-CA 3.26Å; R316-L472 PolarHBondContact NH1-OXT 3.31Å; L353-L472 HydrophobicContact CD2-CD2 3.58Å; L353-L472 HydrophobicContact CD2-CG 4Å; L353-L472 HydrophobicContact CG-CD2 3.86Å; K356-L472 VanDerWaalsContact CA-CD1 3.48Å; K356-L472 HydrophobicContact CB-CD1 3.62Å; K356-L472 HydrophobicContact CG-CD1 3.79Å; D469-L472 HydrophobicContact CB-CD1 4.28Å; D469-L472 WeakPolarHBondContact O-CB 3.45Å; D469-L472 WeakPolarHBondContact O-CG 3.46Å; D469-L472 PolarHBondContact O-N 2.64Å

Retrieved 472 of 472 residues in 273.3 ms (Link to these results)

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