A0A087YHX4_POEFO Loading...

Serine/threonine-protein kinase Nek4

AlphaFold DB , UniProt , Accession A0A087YHX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 867 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
1M65.6Low87.5Confident130 Ų13086.9 Ų86.964%0.6444%0.437SS*.  0-70.80-59.6-48.4-162.100112.7N3 N4 W71M1-N3 VanDerWaalsContact C-N 3.25Å; M1-N3 PolarHBondContact O-N 3.19Å; M1-N4 WeakPolarHBondContact O-CB 3.45Å; M1-N4 PolarHBondContact O-N 2.72Å; M1-W71 HydrophobicContact CB-CB 4.41Å; M1-W71 HydrophobicContact CB-CD2 3.34Å; M1-W71 HydrophobicContact CB-CE3 3.62Å; M1-W71 HydrophobicContact CB-CG 3.67Å; M1-W71 HydrophobicContact CB-CH2 4.31Å; M1-W71 HydrophobicContact CB-CZ2 4.08Å; M1-W71 HydrophobicContact CB-CZ3 4.08Å; M1-W71 HydrophobicContact CG-CB 3.9Å; M1-W71 HydrophobicContact CG-CD2 3.78Å; M1-W71 HydrophobicContact CG-CE3 3.99Å; M1-W71 HydrophobicContact CG-CG 3.71Å
2M73.1Confident87Confident81 Ų8182.1 Ų82.140%0.39943%0.426SS..G310 helixtrans-47.9-39.6-172.1-162.266.3156.900114.9N4 Y5 W71 Y79M2-N4 PolarHBondContact O-N 3.25Å; M2-Y5 PolarHBondContact O-N 2.93Å; M2-W71 HydrophobicContact CB-CZ2 4.42Å; M2-W71 HydrophobicContact SD-CZ2 3.84Å; M2-Y79 HydrophobicContact CE-CD1 4.3Å; M2-Y79 HydrophobicContact CE-CE1 3.63Å; M2-Y79 HydrophobicContact SD-CD1 4.11Å; M2-Y79 HydrophobicContact SD-CE1 3.94Å
3N79.1Confident86.3Confident145 Ų14587.7 Ų87.778%0.77545%0.445SS*.G310 helixtrans-59.4-15180-56.26.1000114.6M1 Y5 N25M1-N3 VanDerWaalsContact C-N 3.25Å; M1-N3 PolarHBondContact O-N 3.19Å; N3-Y5 PolarHBondContact O-N 3.24Å; N3-N25 PolarHBondContact O-ND2 2.86Å
4N90Very high84.8Confident76 Ų7685.1 Ų85.141%0.40645%0.45SS..G310 helixtrans-74.9-7.5172.5-65.2-11.6000112.8M1 M2 H24 N25M1-N4 WeakPolarHBondContact O-CB 3.45Å; M1-N4 PolarHBondContact O-N 2.72Å; M2-N4 PolarHBondContact O-N 3.25Å; N4-H24 CarbonylContact O-C 3.6Å; N4-H24 WeakPolarHBondContact O-CA 3.47Å; N4-H24 PolarHBondContact O-CD2 2.96Å; N4-N25 WeakPolarHBondContact O-CB 3.42Å; N4-N25 PolarHBondContact O-N 3.42Å
5Y94.5Very high82.9Confident17 Ų1786.5 Ų86.57%0.06747%0.47CS..EExtended strand (participates in β ladder)trans-127.6120.3-172.5-68.1-81.9000111.8M2 N3 V22 H24 Y31 I33 R68 E69 W71 V81M2-Y5 PolarHBondContact O-N 2.93Å; N3-Y5 PolarHBondContact O-N 3.24Å; Y5-V22 HydrophobicContact CD1-CB 4.22Å; Y5-V22 HydrophobicContact CD1-CG2 3.44Å; Y5-V22 VanDerWaalsContact CD1-CG2 3.44Å; Y5-V22 HydrophobicContact CE1-CG2 4.13Å; Y5-V22 HydrophobicContact CG-CG2 4.17Å; Y5-H24 HydrophobicContact CD1-CB 3.9Å; Y5-H24 HydrophobicContact CE1-CB 3.64Å; Y5-H24 AromaticContact CE1-CD2 3.72Å; Y5-H24 AromaticContact CE1-CG 3.99Å; Y5-H24 AromaticContact CZ-CD2 3.66Å; Y5-Y31 HydrophobicContact CE1-CD2 4.06Å; Y5-Y31 HydrophobicContact CE1-CG 4.4Å; Y5-I33 HydrophobicContact CD1-CD1 4.32Å; Y5-I33 HydrophobicContact CD2-CD1 4.26Å; Y5-I33 HydrophobicContact CG-CD1 3.98Å; Y5-R68 WeakPolarHBondContact OH-CD 3.48Å; Y5-R68 PolarHBondContact OH-NE 2.82Å; Y5-E69 VanDerWaalsContact OH-CD 3.29Å; Y5-E69 PolarHBondContact OH-OE1 2.88Å; Y5-W71 AromaticContact CD2-CH2 3.94Å; Y5-W71 HydrophobicContact CD2-CH2 3.94Å; Y5-W71 AromaticContact CE2-CH2 3.95Å; Y5-W71 HydrophobicContact CE2-CH2 3.95Å; Y5-W71 HydrophobicContact CE2-CZ3 4.09Å; Y5-V81 HydrophobicContact CE1-CG1 4Å; Y5-V81 HydrophobicContact CE2-CG2 4.33Å
6S94.8Very high81.5Confident47 Ų4789.3 Ų89.333%0.32947%0.473SS..EExtended strand (participates in β ladder)trans-86.6125167.935.20000110.2V22 K23 N25S6-V22 CarbonylContact O-C 3.57Å; S6-V22 VanDerWaalsContact O-CA 3.25Å; S6-V22 WeakPolarHBondContact O-CA 3.36Å; S6-V22 WeakPolarHBondContact O-CB 3.46Å; S6-K23 PolarHBondContact N-O 3.41Å; S6-K23 PolarHBondContact O-N 2.88Å; S6-K23 PolarHBondContact OG-O 2.68Å; S6-K23 VanDerWaalsContact OG-O 3.05Å; S6-N25 WeakPolarHBondContact CB-OD1 3.36Å; S6-N25 PolarHBondContact N-OD1 3.07Å; S6-N25 PolarHBondContact OG-OD1 3.37Å
7F95.1Very high81.1Confident128 Ų12885.5 Ų85.556%0.56146%0.461SS*.EExtended strand (participates in β ladder)trans-64.1141174.4173.1-96.7000111.5R9 V10 N20F7-R9 VanDerWaalsContact CE2-C 3.48Å; F7-R9 VanDerWaalsContact CZ-C 3.48Å; F7-R9 VanDerWaalsContact CZ-CA 3.44Å; F7-V10 HydrophobicContact CE2-CG2 4.45Å; F7-V10 HydrophobicContact CZ-CG2 4.27Å; F7-N20 HydrophobicContact CD2-CB 4.33Å; F7-N20 HydrophobicContact CE2-CB 4.24Å; F7-N20 WeakPolarHBondContact CE2-OD1 3.29Å
8I95.5Very high81.3Confident74 Ų7482.9 Ų82.938%0.37945%0.445SS..EExtended strand (participates in β ladder)trans-112.8-57172.2-57.8170.4000110.5L21 K23 Q30I8-L21 HydrophobicContact CB-CD2 4.36Å; I8-L21 HydrophobicContact CB-CG 4.19Å; I8-L21 WeakPolarHBondContact CB-O 3.12Å; I8-L21 HydrophobicContact CD1-CD2 4.26Å; I8-L21 HydrophobicContact CD1-CG 3.96Å; I8-L21 HydrophobicContact CG2-CD2 4.25Å; I8-L21 PolarHBondContact N-O 3.44Å; I8-K23 HydrophobicContact CD1-CB 3.98Å; I8-K23 HydrophobicContact CG1-CB 4.39Å; I8-Q30 HydrophobicContact CD1-CG 4.01Å
9R94.6Very high81.7Confident137 Ų13780.7 Ų80.752%0.51744%0.435SS..EExtended strand (participates in β ladder)trans-164.5158.9-178.261.8176.6-177.51370.2111.9F7 L21F7-R9 VanDerWaalsContact CE2-C 3.48Å; F7-R9 VanDerWaalsContact CZ-C 3.48Å; F7-R9 VanDerWaalsContact CZ-CA 3.44Å; R9-L21 HydrophobicContact CG-CB 3.98Å; R9-L21 HydrophobicContact CG-CD2 4.06Å; R9-L21 PolarHBondContact N-O 3Å; R9-L21 PolarHBondContact O-N 3.41Å
10V93.1Very high82.3Confident50 Ų5076.9 Ų76.930%0.30341%0.414SS..EExtended strand (participates in β ladder)trans-66.1138.1160.9-172.60000108.9F7 G12 K13 E18 N20F7-V10 HydrophobicContact CE2-CG2 4.45Å; F7-V10 HydrophobicContact CZ-CG2 4.27Å; V10-G12 WeakPolarHBondContact CG1-O 3.21Å; V10-K13 HydrophobicContact CG1-CG 3.91Å; V10-E18 HydrophobicContact CG1-CG 4.08Å; V10-N20 WeakPolarHBondContact CA-OD1 3.34Å
11V87.5Confident83Confident71 Ų7173.5 Ų73.543%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-100.6-39172.5179.10000110.3V19 L21V11-V19 HydrophobicContact CB-CG1 4.3Å; V11-V19 PolarHBondContact N-O 3.34Å; V11-L21 HydrophobicContact CG2-CB 3.57Å
12G80.9Confident84.4Confident29 Ų2967.6 Ų67.630%0.29937%0.367SS..EExtended strand (participates in β ladder)trans-161.3160.5174.800000112.3V10 V19V10-G12 WeakPolarHBondContact CG1-O 3.21Å; G12-V19 PolarHBondContact N-O 2.92Å; G12-V19 PolarHBondContact O-N 2.87Å
13K78.1Confident85.6Confident155 Ų15567.7 Ų67.767%0.67437%0.365SS*.EExtended strand (participates in β ladder)trans-126.3139.8166.5-51.8-156.1-173.9-145.70107.8V10 E18V10-K13 HydrophobicContact CG1-CG 3.91Å; K13-E18 HydrophobicContact CD-CG 4.49Å; K13-E18 VanDerWaalsContact CE-OE2 3.26Å; K13-E18 WeakPolarHBondContact CE-OE2 3.47Å; K13-E18 HydrophobicContact CG-CG 4.3Å; K13-E18 IonicContact NZ-OE2 2.68Å; K13-E18 PolarHBondContact NZ-OE2 3.46Å
14G65.5Low86.4Confident51 Ų5161.3 Ų61.353%0.52633%0.331SS..EExtended strand (participates in β ladder)trans-147.2-178.5178.400000111.3Y16 G17G14-Y16 PolarHBondContact O-N 3.22Å; G14-G17 PolarHBondContact N-O 3.4Å; G14-G17 PolarHBondContact O-N 3.26Å
15S55.5Low86.5Confident106 Ų10660.1 Ų60.174%0.74132%0.324SS*.THydrogen-bonded Turntrans-52.8-40.1178.645.50000113.2G17S15-G17 VanDerWaalsContact C-N 3.28Å; S15-G17 PolarHBondContact O-N 3.04Å
16Y61.2Low86.4Confident131 Ų13164.8 Ų64.851%0.51436%0.355SS..THydrogen-bonded Turntrans-800.6-179.7-55-74.4000114.8G14G14-Y16 PolarHBondContact O-N 3.22Å
17G74.1Confident86.4Confident26 Ų2665.2 Ų65.227%0.26835%0.353SS..EExtended strand (participates in β ladder)trans121.7-147.3177.400000114.9G14 S15G14-G17 PolarHBondContact N-O 3.4Å; G14-G17 PolarHBondContact O-N 3.26Å; S15-G17 VanDerWaalsContact C-N 3.28Å; S15-G17 PolarHBondContact O-N 3.04Å
18E85Confident86.3Confident39 Ų3966.6 Ų66.618%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-118.2132.6-166.5-172.2-177.272.300112.3V10 K13 N20 K35V10-E18 HydrophobicContact CG1-CG 4.08Å; K13-E18 HydrophobicContact CD-CG 4.49Å; K13-E18 VanDerWaalsContact CE-OE2 3.26Å; K13-E18 WeakPolarHBondContact CE-OE2 3.47Å; K13-E18 HydrophobicContact CG-CG 4.3Å; K13-E18 IonicContact NZ-OE2 2.68Å; K13-E18 PolarHBondContact NZ-OE2 3.46Å; E18-N20 WeakPolarHBondContact CG-ND2 3.25Å; E18-N20 PolarHBondContact OE1-ND2 3.02Å; E18-N20 PolarHBondContact OE1-OD1 3.1Å; E18-K35 HydrophobicContact CB-CD 4.37Å; E18-K35 PolarHBondContact N-O 3Å; E18-K35 PolarHBondContact O-N 2.92Å; E18-K35 IonicContact OE1-NZ 3.53Å; E18-K35 PolarHBondContact OE1-NZ 3.46Å
19V89.7Confident86.2Confident41 Ų4169 Ų6925%0.24836%0.363CS..EExtended strand (participates in β ladder)trans-110.5115.6-177.3-175.90000108.8V11 G12 V32 K34V11-V19 HydrophobicContact CB-CG1 4.3Å; V11-V19 PolarHBondContact N-O 3.34Å; G12-V19 PolarHBondContact N-O 2.92Å; G12-V19 PolarHBondContact O-N 2.87Å; V19-V32 HydrophobicContact CG1-CG1 3.31Å; V19-K34 HydrophobicContact CG2-CG 4.36Å
20N93.9Very high86.3Confident4 Ų466.7 Ų66.72%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-120131.8-168.2-70.3-54.4000112.9F7 V10 E18 V32 I33 K35F7-N20 HydrophobicContact CD2-CB 4.33Å; F7-N20 HydrophobicContact CE2-CB 4.24Å; F7-N20 WeakPolarHBondContact CE2-OD1 3.29Å; V10-N20 WeakPolarHBondContact CA-OD1 3.34Å; E18-N20 WeakPolarHBondContact CG-ND2 3.25Å; E18-N20 PolarHBondContact OE1-ND2 3.02Å; E18-N20 PolarHBondContact OE1-OD1 3.1Å; N20-V32 CarbonylContact O-C 3.46Å; N20-V32 WeakPolarHBondContact O-CA 3.39Å; N20-I33 PolarHBondContact N-O 2.93Å; N20-I33 PolarHBondContact O-N 3.26Å; N20-K35 WeakPolarHBondContact ND2-CE 3.27Å
21L95.7Very high86.4Confident5 Ų565.7 Ų65.73%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-79.9125.5168.8-179.863.5000108.8I8 R9 V11 Q30 F84I8-L21 HydrophobicContact CB-CD2 4.36Å; I8-L21 HydrophobicContact CB-CG 4.19Å; I8-L21 WeakPolarHBondContact CB-O 3.12Å; I8-L21 HydrophobicContact CD1-CD2 4.26Å; I8-L21 HydrophobicContact CD1-CG 3.96Å; I8-L21 HydrophobicContact CG2-CD2 4.25Å; I8-L21 PolarHBondContact N-O 3.44Å; R9-L21 HydrophobicContact CG-CB 3.98Å; R9-L21 HydrophobicContact CG-CD2 4.06Å; R9-L21 PolarHBondContact N-O 3Å; R9-L21 PolarHBondContact O-N 3.41Å; V11-L21 HydrophobicContact CG2-CB 3.57Å; L21-Q30 HydrophobicContact CD1-CB 4.1Å; L21-Q30 HydrophobicContact CD1-CG 4.41Å; L21-F84 HydrophobicContact CD1-CB 4.16Å; L21-F84 HydrophobicContact CD1-CD1 3.6Å; L21-F84 HydrophobicContact CD1-CD2 3.77Å; L21-F84 HydrophobicContact CD1-CE1 3.85Å; L21-F84 HydrophobicContact CD1-CE2 4.02Å; L21-F84 HydrophobicContact CD1-CG 3.56Å; L21-F84 HydrophobicContact CD1-CZ 4.07Å; L21-F84 HydrophobicContact CD2-CE1 4.36Å; L21-F84 HydrophobicContact CD2-CZ 4.31Å
22V96.4Very high86.7Confident7 Ų763.1 Ų63.14%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-128160.2178.7-57.60000110.8Y5 S6 Q30 Y31 I33Y5-V22 HydrophobicContact CD1-CB 4.22Å; Y5-V22 HydrophobicContact CD1-CG2 3.44Å; Y5-V22 VanDerWaalsContact CD1-CG2 3.44Å; Y5-V22 HydrophobicContact CE1-CG2 4.13Å; Y5-V22 HydrophobicContact CG-CG2 4.17Å; S6-V22 CarbonylContact O-C 3.57Å; S6-V22 VanDerWaalsContact O-CA 3.25Å; S6-V22 WeakPolarHBondContact O-CA 3.36Å; S6-V22 WeakPolarHBondContact O-CB 3.46Å; V22-Q30 VanDerWaalsContact O-CA 3.31Å; V22-Q30 WeakPolarHBondContact O-CA 3.37Å; V22-Y31 WeakPolarHBondContact CG2-O 3.48Å; V22-Y31 PolarHBondContact N-O 3.28Å; V22-Y31 PolarHBondContact O-N 3.03Å; V22-I33 HydrophobicContact CB-CD1 4.45Å; V22-I33 HydrophobicContact CG1-CD1 3.86Å; V22-I33 HydrophobicContact CG1-CG1 3.95Å; V22-I33 HydrophobicContact CG2-CD1 3.89Å; V22-I33 HydrophobicContact CG2-CG1 3.7Å
23K96.4Very high87.3Confident83 Ų8361.9 Ų61.936%0.36132%0.319SS..EExtended strand (participates in β ladder)trans-110.9126.7166.3-168.7176.1-175.7178.70108.6S6 I8 N25 R28 K29S6-K23 PolarHBondContact N-O 3.41Å; S6-K23 PolarHBondContact O-N 2.88Å; S6-K23 PolarHBondContact OG-O 2.68Å; S6-K23 VanDerWaalsContact OG-O 3.05Å; I8-K23 HydrophobicContact CD1-CB 3.98Å; I8-K23 HydrophobicContact CG1-CB 4.39Å; K23-N25 PolarHBondContact O-OD1 2.64Å; K23-R28 WeakPolarHBondContact CE-O 3.21Å; K23-K29 WeakPolarHBondContact CA-O 3.47Å
24H95.9Very high87.8Confident11 Ų1156.5 Ų56.55%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-75.8138.7175.2176.2-109.2000110.2N4 Y5 T26 D27 R28 K29 Y31 R68N4-H24 CarbonylContact O-C 3.6Å; N4-H24 WeakPolarHBondContact O-CA 3.47Å; N4-H24 PolarHBondContact O-CD2 2.96Å; Y5-H24 HydrophobicContact CD1-CB 3.9Å; Y5-H24 HydrophobicContact CE1-CB 3.64Å; Y5-H24 AromaticContact CE1-CD2 3.72Å; Y5-H24 AromaticContact CE1-CG 3.99Å; Y5-H24 AromaticContact CZ-CD2 3.66Å; H24-T26 PolarHBondContact CE1-OG1 2.84Å; H24-D27 WeakPolarHBondContact CB-OD1 3.28Å; H24-D27 IonicContact CE1-OD1 2.67Å; H24-D27 IonicContact CG-OD1 2.71Å; H24-D27 IonicContact ND1-OD1 2.69Å; H24-D27 PolarHBondContact ND1-OD1 3.41Å; H24-D27 IonicContact ND1-OD2 3.74Å; H24-D27 PolarHBondContact ND1-OD2 2.97Å; H24-R28 WeakPolarHBondContact O-CA 3.42Å; H24-R28 PolarHBondContact O-N 2.92Å; H24-R28 VanDerWaalsContact O-N 3.15Å; H24-K29 PolarHBondContact N-O 3.47Å; H24-Y31 HydrophobicContact CB-CD2 3.74Å; H24-Y31 HydrophobicContact CB-CE2 3.79Å; H24-R68 PolarHBondContact CE1-NH2 3.33Å; H24-R68 PolarHBondContact ND1-NH2 2.93Å; H24-R68 PolarHBondContact NE2-NH2 3.1Å
25N93.7Very high88.9Confident50 Ų5056.2 Ų56.227%0.26728%0.28SS..THydrogen-bonded Turntrans-79.8-26.2-159.8-73.9-21.8000113.9N3 N4 S6 K23 R28N3-N25 PolarHBondContact O-ND2 2.86Å; N4-N25 WeakPolarHBondContact O-CB 3.42Å; N4-N25 PolarHBondContact O-N 3.42Å; S6-N25 WeakPolarHBondContact CB-OD1 3.36Å; S6-N25 PolarHBondContact N-OD1 3.07Å; S6-N25 PolarHBondContact OG-OD1 3.37Å; K23-N25 PolarHBondContact O-OD1 2.64Å; N25-R28 VanDerWaalsContact O-CD 3.32Å; N25-R28 WeakPolarHBondContact O-CD 3.39Å; N25-R28 PolarHBondContact O-NE 3.46Å; N25-R28 VanDerWaalsContact O-NE 3.13Å; N25-R28 PolarHBondContact O-NH1 2.6Å; N25-R28 VanDerWaalsContact O-NH1 3.09Å
26T92.8Very high90.2Very high115 Ų11552 Ų5271%0.70625%0.249SC*.THydrogen-bonded Turntrans-93.7-59.2177.863.10000112.7H24 R28H24-T26 PolarHBondContact CE1-OG1 2.84Å; T26-R28 PolarHBondContact O-N 3.04Å
27D93.2Very high90.9Very high56 Ų5649.6 Ų49.630%0.29925%0.245SC..THydrogen-bonded Turntrans-75-5.9-179.5757.6000114.7H24 K29 Y31 R68H24-D27 WeakPolarHBondContact CB-OD1 3.28Å; H24-D27 IonicContact CE1-OD1 2.67Å; H24-D27 IonicContact CG-OD1 2.71Å; H24-D27 IonicContact ND1-OD1 2.69Å; H24-D27 PolarHBondContact ND1-OD1 3.41Å; H24-D27 IonicContact ND1-OD2 3.74Å; H24-D27 PolarHBondContact ND1-OD2 2.97Å; D27-K29 PolarHBondContact O-N 3.13Å; D27-K29 PolarHBondContact OD1-N 2.86Å; D27-Y31 PolarHBondContact OD2-OH 2.99Å; D27-R68 IonicContact OD2-CZ 3.54Å; D27-R68 IonicContact OD2-NH1 3.44Å; D27-R68 PolarHBondContact OD2-NH1 3.01Å
28R93.1Very high91Very high157 Ų15749 Ų4959%0.59224%0.236SC*.  trans58.411.4177.9-54.6-53.4-167.7169.82.8115.6K23 H24 N25 T26K23-R28 WeakPolarHBondContact CE-O 3.21Å; H24-R28 WeakPolarHBondContact O-CA 3.42Å; H24-R28 PolarHBondContact O-N 2.92Å; H24-R28 VanDerWaalsContact O-N 3.15Å; N25-R28 VanDerWaalsContact O-CD 3.32Å; N25-R28 WeakPolarHBondContact O-CD 3.39Å; N25-R28 PolarHBondContact O-NE 3.46Å; N25-R28 VanDerWaalsContact O-NE 3.13Å; N25-R28 PolarHBondContact O-NH1 2.6Å; N25-R28 VanDerWaalsContact O-NH1 3.09Å; T26-R28 PolarHBondContact O-N 3.04Å
29K94.4Very high90.4Very high125 Ų12550.4 Ų50.454%0.54325%0.247SC..  trans-79.2158.9178.7-68.8169-171.6164.60111.6K23 H24 D27 Y31K23-K29 WeakPolarHBondContact CA-O 3.47Å; H24-K29 PolarHBondContact N-O 3.47Å; D27-K29 PolarHBondContact O-N 3.13Å; D27-K29 PolarHBondContact OD1-N 2.86Å; K29-Y31 HydrophobicContact CB-CD2 4.41Å; K29-Y31 HydrophobicContact CB-CE2 3.57Å; K29-Y31 WeakPolarHBondContact CD-OH 3.24Å
30Q95.7Very high89.6Confident88 Ų8854.8 Ų54.841%0.41128%0.275SS..EExtended strand (participates in β ladder)trans-92.1139.5174.7-76.4179.2-16.700111.3I8 L21 V22 F84I8-Q30 HydrophobicContact CD1-CG 4.01Å; L21-Q30 HydrophobicContact CD1-CB 4.1Å; L21-Q30 HydrophobicContact CD1-CG 4.41Å; V22-Q30 VanDerWaalsContact O-CA 3.31Å; V22-Q30 WeakPolarHBondContact O-CA 3.37Å; Q30-F84 HydrophobicContact CB-CB 4.26Å; Q30-F84 HydrophobicContact CB-CD1 3.87Å; Q30-F84 HydrophobicContact CB-CG 4.46Å
31Y95.8Very high88.6Confident29 Ų2955.7 Ų55.711%0.11428%0.281CS..EExtended strand (participates in β ladder)trans-137.2161.4179.7-67-78.9000110.2Y5 V22 H24 D27 K29 R68 V81 M82Y5-Y31 HydrophobicContact CE1-CD2 4.06Å; Y5-Y31 HydrophobicContact CE1-CG 4.4Å; V22-Y31 WeakPolarHBondContact CG2-O 3.48Å; V22-Y31 PolarHBondContact N-O 3.28Å; V22-Y31 PolarHBondContact O-N 3.03Å; H24-Y31 HydrophobicContact CB-CD2 3.74Å; H24-Y31 HydrophobicContact CB-CE2 3.79Å; D27-Y31 PolarHBondContact OD2-OH 2.99Å; K29-Y31 HydrophobicContact CB-CD2 4.41Å; K29-Y31 HydrophobicContact CB-CE2 3.57Å; K29-Y31 WeakPolarHBondContact CD-OH 3.24Å; Y31-R68 VanDerWaalsContact CE2-NH1 3.32Å; Y31-R68 VanDerWaalsContact CZ-NH1 3.26Å; Y31-R68 PolarHBondContact OH-NH1 2.99Å; Y31-V81 HydrophobicContact CD1-CG1 4.3Å; Y31-V81 HydrophobicContact CG-CG1 4.13Å; Y31-M82 WeakPolarHBondContact CA-O 3.41Å; Y31-M82 WeakPolarHBondContact CD1-O 3.31Å
32V94.2Very high87.7Confident17 Ų1757.8 Ų57.810%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-105.7130.3169.8173.90000108.2V19 N20 V81 M82 F84V19-V32 HydrophobicContact CG1-CG1 3.31Å; N20-V32 CarbonylContact O-C 3.46Å; N20-V32 WeakPolarHBondContact O-CA 3.39Å; V32-V81 CarbonylContact O-C 3.5Å; V32-V81 WeakPolarHBondContact O-CA 3.47Å; V32-M82 PolarHBondContact N-O 3.18Å; V32-M82 PolarHBondContact O-N 2.94Å; V32-F84 HydrophobicContact CG2-CB 4.07Å; V32-F84 HydrophobicContact CG2-CD2 3.66Å; V32-F84 HydrophobicContact CG2-CG 4.29Å
33I93.1Very high86.8Confident3 Ų366 Ų662%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-106.2117.4168.5-58.3-168.1000108.1Y5 N20 V22 W71 Y79 I80 V81Y5-I33 HydrophobicContact CD1-CD1 4.32Å; Y5-I33 HydrophobicContact CD2-CD1 4.26Å; Y5-I33 HydrophobicContact CG-CD1 3.98Å; N20-I33 PolarHBondContact N-O 2.93Å; N20-I33 PolarHBondContact O-N 3.26Å; V22-I33 HydrophobicContact CB-CD1 4.45Å; V22-I33 HydrophobicContact CG1-CD1 3.86Å; V22-I33 HydrophobicContact CG1-CG1 3.95Å; V22-I33 HydrophobicContact CG2-CD1 3.89Å; V22-I33 HydrophobicContact CG2-CG1 3.7Å; I33-W71 HydrophobicContact CD1-CH2 4.1Å; I33-Y79 HydrophobicContact CG2-CD1 3.76Å; I33-I80 WeakPolarHBondContact CA-O 3.5Å; I33-V81 HydrophobicContact CD1-CG2 4.26Å; I33-V81 HydrophobicContact CG1-CG1 4.37Å; I33-V81 HydrophobicContact CG1-CG2 4.1Å
34K89.4Confident85.9Confident42 Ų4270 Ų7018%0.18334%0.344CS..EExtended strand (participates in β ladder)trans-90115.9169.1-171.9174.7-177.9178.20107.3V19 L36 I80 M82 D148V19-K34 HydrophobicContact CG2-CG 4.36Å; K34-L36 HydrophobicContact CB-CD1 4.44Å; K34-L36 HydrophobicContact CD-CD1 4.3Å; K34-L36 HydrophobicContact CG-CD1 3.92Å; K34-I80 PolarHBondContact N-O 3.21Å; K34-I80 PolarHBondContact O-N 2.94Å; K34-M82 HydrophobicContact CB-CE 4.14Å; K34-M82 HydrophobicContact CD-CE 4.24Å; K34-D148 IonicContact NZ-OD1 3.15Å; K34-D148 PolarHBondContact NZ-OD1 3.49Å
35K87.8Confident84.9Confident45 Ų4573.3 Ų73.320%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-90.1119.5171.3-59.8-178.5-177.4161.80108.5E18 N20 Y79E18-K35 HydrophobicContact CB-CD 4.37Å; E18-K35 PolarHBondContact N-O 3Å; E18-K35 PolarHBondContact O-N 2.92Å; E18-K35 IonicContact OE1-NZ 3.53Å; E18-K35 PolarHBondContact OE1-NZ 3.46Å; N20-K35 WeakPolarHBondContact ND2-CE 3.27Å; K35-Y79 HydrophobicContact CD-CE1 4.07Å; K35-Y79 HydrophobicContact CG-CD1 4.04Å; K35-Y79 HydrophobicContact CG-CE1 3.71Å
36L82.6Confident84.1Confident17 Ų1772.9 Ų72.99%0.08935%0.354CS..EExtended strand (participates in β ladder)trans-102.2121.6170.9-66.182.5000108.4K34 L38 Q77 L78 I80K34-L36 HydrophobicContact CB-CD1 4.44Å; K34-L36 HydrophobicContact CD-CD1 4.3Å; K34-L36 HydrophobicContact CG-CD1 3.92Å; L36-L38 PolarHBondContact O-N 3.17Å; L36-Q77 CarbonylContact O-C 3.32Å; L36-Q77 WeakPolarHBondContact O-CA 3.37Å; L36-Q77 WeakPolarHBondContact O-CB 3.47Å; L36-L78 HydrophobicContact CB-CB 4.31Å; L36-L78 PolarHBondContact N-O 3.28Å; L36-L78 PolarHBondContact O-N 3.16Å; L36-I80 HydrophobicContact CD1-CD1 3.84Å; L36-I80 HydrophobicContact CD1-CG1 4.07Å
37N76.5Confident83.5Confident81 Ų8175.3 Ų75.343%0.43335%0.351SS..EExtended strand (participates in β ladder)trans-76.7112.2176.8-177.913.9000110.3T39N37-T39 PolarHBondContact ND2-OG1 3.2Å; N37-T39 WeakPolarHBondContact OD1-CB 3.47Å; N37-T39 WeakPolarHBondContact OD1-CG2 3.22Å; N37-T39 PolarHBondContact OD1-N 3.23Å; N37-T39 VanDerWaalsContact OD1-N 3.12Å; N37-T39 PolarHBondContact OD1-OG1 3.27Å
38L76.7Confident82.7Confident13 Ų1373.3 Ų73.37%0.06834%0.342CS..  trans-115.320.3178-56.5177.4000112.4L36 R46 A49 R76 L78L36-L38 PolarHBondContact O-N 3.17Å; L38-R46 HydrophobicContact CB-CG 4.18Å; L38-R46 HydrophobicContact CD1-CG 4.27Å; L38-R46 PolarHBondContact O-NE 3.09Å; L38-R46 PolarHBondContact O-NH2 3.31Å; L38-A49 HydrophobicContact CD1-CB 4.13Å; L38-A49 HydrophobicContact CD2-CB 4.4Å; L38-R76 CarbonylContact C-O 3.53Å; L38-R76 WeakPolarHBondContact CB-O 3.36Å; L38-R76 PolarHBondContact N-O 3.05Å; L38-L78 HydrophobicContact CD1-CB 3.59Å; L38-L78 HydrophobicContact CD1-CD2 4.44Å; L38-L78 HydrophobicContact CG-CB 4.37Å
39T72.7Confident82Confident69 Ų6966.3 Ų66.342%0.42332%0.317SS..SBendtrans-65.8-44.2-178.650.70000112.6N37 D75 R76N37-T39 PolarHBondContact ND2-OG1 3.2Å; N37-T39 WeakPolarHBondContact OD1-CB 3.47Å; N37-T39 WeakPolarHBondContact OD1-CG2 3.22Å; N37-T39 PolarHBondContact OD1-N 3.23Å; N37-T39 VanDerWaalsContact OD1-N 3.12Å; N37-T39 PolarHBondContact OD1-OG1 3.27Å; T39-D75 WeakPolarHBondContact CG2-O 3.45Å; T39-R76 HydrophobicContact CG2-CB 4.14Å
40T71.3Confident81.4Confident134 Ų13465 Ų6582%0.82231%0.313SS*.SBendtrans-91.5-13175.6500000113.8
41S73.8Confident80.7Confident22 Ų2267 Ų6715%0.15432%0.322CS..  trans-66.3140.8-175.5-81.90000114E45S41-E45 WeakPolarHBondContact CA-OE2 3.38Å; S41-E45 WeakPolarHBondContact CB-OE2 3.16Å; S41-E45 PolarHBondContact OG-OE2 3.08Å
42S76.8Confident80Confident50 Ų5066.1 Ų66.135%0.3532%0.319SS..  trans-64.2162.3176.973.20000112.9R44 E45 R46S42-R44 PolarHBondContact O-N 3Å; S42-R44 PolarHBondContact OG-N 3.04Å; S42-E45 WeakPolarHBondContact CB-OE1 3.46Å; S42-E45 PolarHBondContact N-OE1 3.47Å; S42-E45 PolarHBondContact O-N 3.25Å; S42-E45 PolarHBondContact OG-N 3.15Å; S42-E45 PolarHBondContact OG-OE1 3.41Å; S42-R46 WeakPolarHBondContact O-CG 3.2Å; S42-R46 PolarHBondContact O-N 2.99Å; S42-R46 VanDerWaalsContact O-N 3.09Å
43K78.3Confident79.5Confident179 Ų17965.5 Ų65.578%0.77832%0.316SS*.Hα-helixtrans-56.6-20.8170.7-66.6-177.7179.71780113R47K43-R47 WeakPolarHBondContact O-CD 3.41Å; K43-R47 VanDerWaalsContact O-CG 3.31Å; K43-R47 WeakPolarHBondContact O-CG 3.28Å
44R76.1Confident79.2Confident167 Ų16770.2 Ų70.263%0.6334%0.338SS*.Hα-helixtrans-80.1-47.2176.9179.3176.1170.2-177.9-8.7111.4S42 R47 A48 L155S42-R44 PolarHBondContact O-N 3Å; S42-R44 PolarHBondContact OG-N 3.04Å; R44-R47 PolarHBondContact O-N 3.15Å; R44-A48 PolarHBondContact O-N 2.95Å; R44-L155 HydrophobicContact CG-CD1 4.18Å; R44-L155 HydrophobicContact CG-CD2 3.96Å; R44-L155 PolarHBondContact NH2-O 3.08Å
45E74.9Confident79Confident81 Ų8170.4 Ų70.438%0.37934%0.341SS..Hα-helixtrans-58.5-47.6175.1-72.5148.3-103.200112.1S41 S42 R47 A48 A49 L155S41-E45 WeakPolarHBondContact CA-OE2 3.38Å; S41-E45 WeakPolarHBondContact CB-OE2 3.16Å; S41-E45 PolarHBondContact OG-OE2 3.08Å; S42-E45 WeakPolarHBondContact CB-OE1 3.46Å; S42-E45 PolarHBondContact N-OE1 3.47Å; S42-E45 PolarHBondContact O-N 3.25Å; S42-E45 PolarHBondContact OG-N 3.15Å; S42-E45 PolarHBondContact OG-OE1 3.41Å; E45-R47 PolarHBondContact O-N 3.13Å; E45-A48 PolarHBondContact O-N 2.79Å; E45-A48 VanDerWaalsContact O-N 3.07Å; E45-A49 PolarHBondContact O-N 3.5Å; E45-L155 HydrophobicContact CB-CD1 4.42Å; E45-L155 HydrophobicContact CG-CD1 4.22Å
46R78.1Confident79.1Confident40 Ų4069.5 Ų69.515%0.15134%0.338CS..Hα-helixtrans-52.6-54.4177.6-73.5165.4151.6-82-16.9112.2L38 S42 A48 A49 E50 E72L38-R46 HydrophobicContact CB-CG 4.18Å; L38-R46 HydrophobicContact CD1-CG 4.27Å; L38-R46 PolarHBondContact O-NE 3.09Å; L38-R46 PolarHBondContact O-NH2 3.31Å; S42-R46 WeakPolarHBondContact O-CG 3.2Å; S42-R46 PolarHBondContact O-N 2.99Å; S42-R46 VanDerWaalsContact O-N 3.09Å; R46-A48 PolarHBondContact O-N 3.29Å; R46-A49 PolarHBondContact O-N 3.43Å; R46-A49 VanDerWaalsContact O-N 3.11Å; R46-E50 WeakPolarHBondContact O-CG 3.26Å; R46-E50 PolarHBondContact O-N 2.97Å; R46-E72 IonicContact CZ-OE1 3.14Å; R46-E72 VanDerWaalsContact NH1-CD 3.32Å; R46-E72 IonicContact NH1-OE1 2.71Å; R46-E72 PolarHBondContact NH1-OE1 2.98Å; R46-E72 IonicContact NH1-OE2 3.77Å; R46-E72 PolarHBondContact NH1-OE2 2.67Å; R46-E72 VanDerWaalsContact NH1-OE2 3.14Å; R46-E72 IonicContact NH2-OE1 2.74Å; R46-E72 PolarHBondContact NH2-OE1 3Å
47R79.3Confident79.5Confident167 Ų16770.7 Ų70.763%0.6335%0.348SS*.Hα-helixtrans-57.8-33.4176.8-75174.9174-177.5-2.8113.4K43 R44 E45 Q51K43-R47 WeakPolarHBondContact O-CD 3.41Å; K43-R47 VanDerWaalsContact O-CG 3.31Å; K43-R47 WeakPolarHBondContact O-CG 3.28Å; R44-R47 PolarHBondContact O-N 3.15Å; E45-R47 PolarHBondContact O-N 3.13Å; R47-Q51 WeakPolarHBondContact O-CB 3.43Å; R47-Q51 WeakPolarHBondContact O-CG 3.32Å; R47-Q51 PolarHBondContact O-N 2.98Å
48A76.6Confident80.1Confident14 Ų1474 Ų7412%0.11635%0.354CS..Hα-helixtrans-78.2-35.517700000113R44 E45 R46 E50 Q51 E52 L155R44-A48 PolarHBondContact O-N 2.95Å; E45-A48 PolarHBondContact O-N 2.79Å; E45-A48 VanDerWaalsContact O-N 3.07Å; R46-A48 PolarHBondContact O-N 3.29Å; A48-E50 VanDerWaalsContact C-N 3.32Å; A48-Q51 PolarHBondContact O-N 3.32Å; A48-E52 WeakPolarHBondContact O-CB 3.19Å; A48-E52 PolarHBondContact O-N 3.38Å; A48-L155 HydrophobicContact CB-CD1 3.35Å; A48-L155 HydrophobicContact CB-CD2 3.85Å; A48-L155 HydrophobicContact CB-CG 3.37Å
49A79Confident80.8Confident9 Ų974 Ų747%0.07435%0.354CS..Hα-helixtrans-65.4-37.2172.400000111.3L38 E45 R46 E52 A53 L78L38-A49 HydrophobicContact CD1-CB 4.13Å; L38-A49 HydrophobicContact CD2-CB 4.4Å; E45-A49 PolarHBondContact O-N 3.5Å; R46-A49 PolarHBondContact O-N 3.43Å; R46-A49 VanDerWaalsContact O-N 3.11Å; A49-E52 PolarHBondContact O-N 2.91Å; A49-A53 WeakPolarHBondContact O-CB 3.35Å; A49-A53 PolarHBondContact O-N 3.45Å; A49-L78 HydrophobicContact CB-CD2 3.65Å
50E80.5Confident81.9Confident98 Ų9880.5 Ų80.546%0.45837%0.371SS..Hα-helixtrans-62.5-46.9168.8-67.7158.2-138.100112.1R46 A48 E52 A53 Q54R46-E50 WeakPolarHBondContact O-CG 3.26Å; R46-E50 PolarHBondContact O-N 2.97Å; A48-E50 VanDerWaalsContact C-N 3.32Å; E50-E52 VanDerWaalsContact C-N 3.34Å; E50-E52 PolarHBondContact O-N 3.13Å; E50-A53 PolarHBondContact O-N 2.95Å; E50-Q54 WeakPolarHBondContact O-CB 3.35Å; E50-Q54 PolarHBondContact O-N 2.94Å
51Q81.6Confident83Confident129 Ų12975.6 Ų75.660%0.60334%0.338SS*.Hα-helixtrans-64.4-35.4176.5-76.2170.13.200112.6R47 A48 Q54 L55R47-Q51 WeakPolarHBondContact O-CB 3.43Å; R47-Q51 WeakPolarHBondContact O-CG 3.32Å; R47-Q51 PolarHBondContact O-N 2.98Å; A48-Q51 PolarHBondContact O-N 3.32Å; Q51-Q54 PolarHBondContact O-N 3.34Å; Q51-L55 WeakPolarHBondContact O-CB 3.48Å; Q51-L55 PolarHBondContact O-N 3.23Å
52E80Confident84Confident11 Ų1178.5 Ų78.55%0.05136%0.357CS..Hα-helixtrans-62.5-52.2171.2167.7170.1-11800110.9A48 A49 E50 Q54 L55 L56 I151 A152A48-E52 WeakPolarHBondContact O-CB 3.19Å; A48-E52 PolarHBondContact O-N 3.38Å; A49-E52 PolarHBondContact O-N 2.91Å; E50-E52 VanDerWaalsContact C-N 3.34Å; E50-E52 PolarHBondContact O-N 3.13Å; E52-Q54 VanDerWaalsContact C-N 3.26Å; E52-Q54 PolarHBondContact O-N 2.97Å; E52-L55 PolarHBondContact O-N 3.23Å; E52-L55 VanDerWaalsContact O-N 3.07Å; E52-L56 HydrophobicContact CG-CD1 3.87Å; E52-L56 HydrophobicContact CG-CG 4.28Å; E52-L56 WeakPolarHBondContact O-CB 3.36Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.44Å; E52-L56 PolarHBondContact O-N 2.77Å; E52-I151 HydrophobicContact CB-CB 4.24Å; E52-I151 HydrophobicContact CB-CG2 3.8Å; E52-I151 HydrophobicContact CG-CB 3.87Å; E52-I151 HydrophobicContact CG-CG2 3.98Å; E52-I151 WeakPolarHBondContact OE1-CB 3.34Å; E52-I151 PolarHBondContact OE1-N 2.92Å; E52-A152 VanDerWaalsContact CD-N 3.34Å; E52-A152 PolarHBondContact OE1-N 2.88Å; E52-A152 WeakPolarHBondContact OE2-CB 3.4Å
53A84.7Confident85Confident4 Ų476.6 Ų76.63%0.03334%0.343CS..Hα-helixtrans-58.7-39.9176.800000111.6A49 E50 L56 S57 I80A49-A53 WeakPolarHBondContact O-CB 3.35Å; A49-A53 PolarHBondContact O-N 3.45Å; E50-A53 PolarHBondContact O-N 2.95Å; A53-L56 PolarHBondContact O-N 3.43Å; A53-S57 PolarHBondContact O-N 3.05Å; A53-I80 HydrophobicContact CB-CD1 4.17Å; A53-I80 HydrophobicContact CB-CG1 4.48Å
54Q86.6Confident85.8Confident102 Ų10268.3 Ų68.348%0.47731%0.307SS..Hα-helixtrans-64.6-40.8174-165.3-172.578.400112.1E50 Q51 E52 S57E50-Q54 WeakPolarHBondContact O-CB 3.35Å; E50-Q54 PolarHBondContact O-N 2.94Å; Q51-Q54 PolarHBondContact O-N 3.34Å; E52-Q54 VanDerWaalsContact C-N 3.26Å; E52-Q54 PolarHBondContact O-N 2.97Å; Q54-S57 PolarHBondContact O-N 2.6Å; Q54-S57 PolarHBondContact O-OG 2.83Å
55L86.2Confident86.7Confident46 Ų4661.2 Ų61.224%0.24128%0.282CS..Hα-helixtrans-66-47.6175.8-175.756.7000111Q51 E52 S57 R58 L59 I126 I151Q51-L55 WeakPolarHBondContact O-CB 3.48Å; Q51-L55 PolarHBondContact O-N 3.23Å; E52-L55 PolarHBondContact O-N 3.23Å; E52-L55 VanDerWaalsContact O-N 3.07Å; L55-S57 PolarHBondContact O-N 2.77Å; L55-R58 WeakPolarHBondContact O-CB 3.35Å; L55-R58 PolarHBondContact O-N 3.09Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-I126 HydrophobicContact CD1-CD1 3.89Å; L55-I126 HydrophobicContact CD2-CD1 4.23Å; L55-I126 HydrophobicContact CD2-CG1 4.4Å; L55-I126 HydrophobicContact CD2-CG2 4.45Å; L55-I126 HydrophobicContact CG-CD1 4.27Å; L55-I151 HydrophobicContact CD2-CD1 3.91Å; L55-I151 HydrophobicContact CD2-CG1 4.14Å; L55-I151 HydrophobicContact CD2-CG2 3.91Å; L55-I151 HydrophobicContact CG-CD1 4.23Å
56L88.2Confident87.5Confident26 Ų2661.1 Ų61.114%0.13629%0.287CS..Hα-helixtrans-53.9-39.8175.4-70.9172.4000111.9E52 A53 R58 L59 Y67 I80 L149 I151E52-L56 HydrophobicContact CG-CD1 3.87Å; E52-L56 HydrophobicContact CG-CG 4.28Å; E52-L56 WeakPolarHBondContact O-CB 3.36Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.44Å; E52-L56 PolarHBondContact O-N 2.77Å; A53-L56 PolarHBondContact O-N 3.43Å; L56-R58 PolarHBondContact O-N 2.88Å; L56-L59 HydrophobicContact CD2-CD1 4.35Å; L56-L59 PolarHBondContact O-N 2.84Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L56-Y67 HydrophobicContact CB-CD2 3.89Å; L56-Y67 HydrophobicContact CB-CG 4.42Å; L56-I80 HydrophobicContact CD1-CD1 4.49Å; L56-L149 HydrophobicContact CD2-CB 4.28Å; L56-L149 HydrophobicContact CD2-CD1 3.62Å; L56-I151 HydrophobicContact CD2-CD1 3.87Å; L56-I151 HydrophobicContact CG-CD1 4.18Å
57S90.7Very high88.3Confident42 Ų4261.6 Ų61.629%0.29429%0.289SS..Hα-helixtrans-60.7-24.1177.882.70000114.8A53 Q54 L55 Y67A53-S57 PolarHBondContact O-N 3.05Å; Q54-S57 PolarHBondContact O-N 2.6Å; Q54-S57 PolarHBondContact O-OG 2.83Å; L55-S57 PolarHBondContact O-N 2.77Å; S57-Y67 VanDerWaalsContact CA-CD1 3.45Å
58R90.6Very high88.9Confident151 Ų15157.3 Ų57.357%0.5727%0.273SS*.Hα-helixtrans-87.5-12.8179.8-62171.6-178.7157.95.6112.7L55 L56L55-R58 WeakPolarHBondContact O-CB 3.35Å; L55-R58 PolarHBondContact O-N 3.09Å; L56-R58 PolarHBondContact O-N 2.88Å
59L91.6Very high89.7Confident12 Ų1258.7 Ų58.76%0.06328%0.277CS..  trans-86.7119.4-174.2-52.7-177000111.8L55 L56 Y120 L121 I126 L149L55-L59 WeakPolarHBondContact O-CG 3.34Å; L56-L59 HydrophobicContact CD2-CD1 4.35Å; L56-L59 PolarHBondContact O-N 2.84Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L59-Y120 HydrophobicContact CB-CE1 4.38Å; L59-Y120 HydrophobicContact CD2-CE1 4.13Å; L59-L121 HydrophobicContact CD1-CD2 4.02Å; L59-I126 HydrophobicContact CD2-CD1 3.55Å; L59-L149 HydrophobicContact CD1-CD1 3.41Å; L59-L149 VanDerWaalsContact CD1-CD1 3.41Å
60R94Very high90.3Very high207 Ų20760 Ų6078%0.78129%0.286SS*.  trans-135.995.7-178.6-63.1-174.3-178.5-171.10.9110Y120R60-Y120 PolarHBondContact N-OH 3.03Å; R60-Y120 WeakPolarHBondContact O-CE2 3.38Å; R60-Y120 PolarHBondContact O-OH 3.5Å
61H95.4Very high90.8Very high30 Ų3056.6 Ų56.614%0.13927%0.269CS..  trans-143.7139.8177.4-174-102.7000109.9N63 I64 A117 Y120H61-N63 PolarHBondContact ND1-N 3.5Å; H61-N63 PolarHBondContact O-N 3.05Å; H61-I64 HydrophobicContact CB-CB 4.16Å; H61-I64 HydrophobicContact CB-CD1 3.81Å; H61-I64 HydrophobicContact CB-CG1 3.9Å; H61-I64 PolarHBondContact O-N 3.33Å; H61-I64 VanDerWaalsContact O-N 3.14Å; H61-A117 PolarHBondContact CE1-N 3.14Å; H61-Y120 HydrophobicContact CB-CD1 3.98Å; H61-Y120 HydrophobicContact CB-CD2 3.98Å; H61-Y120 HydrophobicContact CB-CE1 4.18Å; H61-Y120 HydrophobicContact CB-CE2 4.17Å; H61-Y120 HydrophobicContact CB-CG 3.89Å; H61-Y120 AromaticContact CD2-CD2 3.71Å; H61-Y120 AromaticContact CD2-CG 3.85Å; H61-Y120 AromaticContact CG-CG 3.94Å
62P95.4Very high91.1Very high84 Ų8454.5 Ų54.555%0.54526%0.259SS..THydrogen-bonded Turntrans-55.4-38.3-179.319.9-33.9000113.2K145P62-K145 PolarHBondContact O-NZ 3.33Å
63N96.8Very high91.4Very high9 Ų954.7 Ų54.75%0.04826%0.264CS..THydrogen-bonded Turntrans-95.820.4-178.8-54.2105.3000114.6H61 Q113 A117 I144 K145 V146H61-N63 PolarHBondContact ND1-N 3.5Å; H61-N63 PolarHBondContact O-N 3.05Å; N63-Q113 HydrophobicContact CB-CB 4.35Å; N63-Q113 WeakPolarHBondContact CB-O 3.15Å; N63-Q113 WeakPolarHBondContact ND2-CB 3.4Å; N63-Q113 WeakPolarHBondContact ND2-CG 3.26Å; N63-Q113 PolarHBondContact ND2-OE1 3.27Å; N63-A117 HydrophobicContact CB-CB 4.15Å; N63-A117 WeakPolarHBondContact O-CB 3.3Å; N63-I144 VanDerWaalsContact CA-O 3.3Å; N63-I144 WeakPolarHBondContact CA-O 3.43Å; N63-I144 WeakPolarHBondContact CB-O 3.31Å; N63-I144 PolarHBondContact ND2-O 2.79Å; N63-K145 WeakPolarHBondContact O-CA 3.3Å; N63-V146 PolarHBondContact O-N 3.09Å
64I95.6Very high91.4Very high5 Ų563.1 Ų63.13%0.02631%0.308CS..BIsolated β-bridgetrans-112.3147.5167.2-64178.1000109H61 T66 A117 Y120 L121 K145 V146 L149H61-I64 HydrophobicContact CB-CB 4.16Å; H61-I64 HydrophobicContact CB-CD1 3.81Å; H61-I64 HydrophobicContact CB-CG1 3.9Å; H61-I64 PolarHBondContact O-N 3.33Å; H61-I64 VanDerWaalsContact O-N 3.14Å; I64-T66 PolarHBondContact O-N 3.18Å; I64-A117 HydrophobicContact CD1-CB 4.45Å; I64-A117 HydrophobicContact CG1-CB 3.82Å; I64-Y120 HydrophobicContact CD1-CD1 3.61Å; I64-Y120 HydrophobicContact CD1-CE1 4.1Å; I64-Y120 HydrophobicContact CD1-CG 4.47Å; I64-L121 HydrophobicContact CD1-CD1 4.24Å; I64-L121 HydrophobicContact CD1-CD2 4.02Å; I64-L121 HydrophobicContact CD1-CG 3.97Å; I64-K145 PolarHBondContact O-NZ 2.98Å; I64-V146 CarbonylContact C-O 3.59Å; I64-V146 WeakPolarHBondContact CA-O 3.18Å; I64-L149 HydrophobicContact CG2-CD1 4.42Å
65V94.1Very high91.3Very high19 Ų1961.2 Ų61.212%0.11530%0.301CS..  trans-61.9124.1172172.40000109.1Y67 M82 F137 K145 V146V65-Y67 PolarHBondContact O-N 3.33Å; V65-M82 HydrophobicContact CG1-CB 3.87Å; V65-M82 HydrophobicContact CG1-CG 4.41Å; V65-M82 HydrophobicContact CG1-SD 4.15Å; V65-F137 HydrophobicContact CG2-CD2 3.77Å; V65-F137 HydrophobicContact CG2-CE2 4.37Å; V65-K145 HydrophobicContact CG2-CB 3.87Å; V65-V146 PolarHBondContact N-O 3.49Å
66T92.8Very high91.1Very high78 Ų7866.5 Ų66.548%0.47932%0.318SS..  trans-79.6112.7-170.6-53.30000110.4I64 M82 G83 K145I64-T66 PolarHBondContact O-N 3.18Å; T66-M82 CarbonylContact O-C 3.58Å; T66-M82 WeakPolarHBondContact O-CA 3.38Å; T66-G83 PolarHBondContact O-N 2.88Å; T66-K145 PolarHBondContact OG1-NZ 3.32Å
67Y93.9Very high90.9Very high50 Ų5067.5 Ų67.520%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-58.6146.3165.7171.6-82.4000110.4L56 S57 V65 S70 I80L56-Y67 HydrophobicContact CB-CD2 3.89Å; L56-Y67 HydrophobicContact CB-CG 4.42Å; S57-Y67 VanDerWaalsContact CA-CD1 3.45Å; V65-Y67 PolarHBondContact O-N 3.33Å; Y67-S70 PolarHBondContact OH-N 2.6Å; Y67-S70 PolarHBondContact OH-OG 2.91Å; Y67-S70 VanDerWaalsContact OH-OG 3.07Å; Y67-I80 HydrophobicContact CD2-CG2 4.13Å; Y67-I80 HydrophobicContact CE2-CG2 4.2Å
68R93.6Very high90.8Very high77 Ų7765.9 Ų65.929%0.29131%0.31SS..EExtended strand (participates in β ladder)trans-117.4-62.2174-179.2176.5166130.8-0.2112.5Y5 H24 D27 Y31 V81Y5-R68 WeakPolarHBondContact OH-CD 3.48Å; Y5-R68 PolarHBondContact OH-NE 2.82Å; H24-R68 PolarHBondContact CE1-NH2 3.33Å; H24-R68 PolarHBondContact ND1-NH2 2.93Å; H24-R68 PolarHBondContact NE2-NH2 3.1Å; D27-R68 IonicContact OD2-CZ 3.54Å; D27-R68 IonicContact OD2-NH1 3.44Å; D27-R68 PolarHBondContact OD2-NH1 3.01Å; Y31-R68 VanDerWaalsContact CE2-NH1 3.32Å; Y31-R68 VanDerWaalsContact CZ-NH1 3.26Å; Y31-R68 PolarHBondContact OH-NH1 2.99Å; R68-V81 HydrophobicContact CB-CB 4.26Å; R68-V81 HydrophobicContact CB-CG1 4.2Å; R68-V81 PolarHBondContact N-O 2.95Å
69E93.1Very high90.8Very high43 Ų4359.6 Ų59.620%0.20129%0.287CS..EExtended strand (participates in β ladder)trans-162.2164.3-174.762-167.2104.900110.2Y5 W71 V81Y5-E69 VanDerWaalsContact OH-CD 3.29Å; Y5-E69 PolarHBondContact OH-OE1 2.88Å; E69-W71 HydrophobicContact CG-CZ3 4.1Å; E69-V81 HydrophobicContact CG-CB 3.97Å; E69-V81 HydrophobicContact CG-CG2 3.74Å; E69-V81 WeakPolarHBondContact O-CB 3.3Å; E69-V81 PolarHBondContact O-N 2.83Å
70S92Very high90.7Very high37 Ų3759.2 Ų59.226%0.25929%0.285SS..EExtended strand (participates in β ladder)trans-151.7155.617561.10000112.3Y67 Y79Y67-S70 PolarHBondContact OH-N 2.6Å; Y67-S70 PolarHBondContact OH-OG 2.91Å; Y67-S70 VanDerWaalsContact OH-OG 3.07Å; S70-Y79 CarbonylContact C-O 3.57Å; S70-Y79 WeakPolarHBondContact CA-O 3.28Å; S70-Y79 WeakPolarHBondContact CB-O 3.46Å
71W90.6Very high90.7Very high27 Ų2749.3 Ų49.310%0.10225%0.247CC..EExtended strand (participates in β ladder)trans-153.8151.9176.162.688.6000111.3M1 M2 Y5 I33 E69 Y79 V81M1-W71 HydrophobicContact CB-CB 4.41Å; M1-W71 HydrophobicContact CB-CD2 3.34Å; M1-W71 HydrophobicContact CB-CE3 3.62Å; M1-W71 HydrophobicContact CB-CG 3.67Å; M1-W71 HydrophobicContact CB-CH2 4.31Å; M1-W71 HydrophobicContact CB-CZ2 4.08Å; M1-W71 HydrophobicContact CB-CZ3 4.08Å; M1-W71 HydrophobicContact CG-CB 3.9Å; M1-W71 HydrophobicContact CG-CD2 3.78Å; M1-W71 HydrophobicContact CG-CE3 3.99Å; M1-W71 HydrophobicContact CG-CG 3.71Å; M2-W71 HydrophobicContact CB-CZ2 4.42Å; M2-W71 HydrophobicContact SD-CZ2 3.84Å; Y5-W71 AromaticContact CD2-CH2 3.94Å; Y5-W71 HydrophobicContact CD2-CH2 3.94Å; Y5-W71 AromaticContact CE2-CH2 3.95Å; Y5-W71 HydrophobicContact CE2-CH2 3.95Å; Y5-W71 HydrophobicContact CE2-CZ3 4.09Å; I33-W71 HydrophobicContact CD1-CH2 4.1Å; E69-W71 HydrophobicContact CG-CZ3 4.1Å; W71-Y79 AromaticContact CD1-CD2 3.86Å; W71-Y79 VanDerWaalsContact CE2-CB 3.41Å; W71-Y79 AromaticContact CE2-CG 3.7Å; W71-Y79 HydrophobicContact CZ2-CD1 4.05Å; W71-Y79 AromaticContact CZ2-CG 3.95Å; W71-Y79 HydrophobicContact CZ2-CG 3.95Å; W71-Y79 PolarHBondContact N-O 2.99Å; W71-Y79 AromaticContact NE1-CD2 3.4Å; W71-Y79 AromaticContact NE1-CG 3.39Å; W71-Y79 WeakPolarHBondContact O-CB 3.33Å; W71-Y79 PolarHBondContact O-N 3.44Å; W71-V81 HydrophobicContact CE3-CG2 4.46Å; W71-V81 HydrophobicContact CH2-CG2 3.74Å; W71-V81 HydrophobicContact CZ3-CG2 3.47Å; W71-V81 VanDerWaalsContact CZ3-CG2 3.47Å
72E88.2Confident90.6Very high85 Ų8549 Ų4940%0.39725%0.246SC..EExtended strand (participates in β ladder)trans-79.9137.8158.8-168.1173.8-176.800108.5R46 R76 Q77R46-E72 IonicContact CZ-OE1 3.14Å; R46-E72 VanDerWaalsContact NH1-CD 3.32Å; R46-E72 IonicContact NH1-OE1 2.71Å; R46-E72 PolarHBondContact NH1-OE1 2.98Å; R46-E72 IonicContact NH1-OE2 3.77Å; R46-E72 PolarHBondContact NH1-OE2 2.67Å; R46-E72 VanDerWaalsContact NH1-OE2 3.14Å; R46-E72 IonicContact NH2-OE1 2.74Å; R46-E72 PolarHBondContact NH2-OE1 3Å; E72-R76 VanDerWaalsContact OE1-CA 3.29Å; E72-R76 WeakPolarHBondContact OE1-CA 3.4Å; E72-Q77 CarbonylContact C-O 3.58Å; E72-Q77 WeakPolarHBondContact CA-O 3.5Å
73G85.5Confident90.6Very high15 Ų1546 Ų4616%0.15523%0.23CC..  trans-90.6166.5173.600000112.7D75 R76 Q77G73-D75 WeakPolarHBondContact CA-OD1 3.49Å; G73-D75 PolarHBondContact O-N 3.22Å; G73-D75 VanDerWaalsContact O-N 3.16Å; G73-R76 WeakPolarHBondContact O-CA 3.4Å; G73-R76 PolarHBondContact O-N 3.48Å; G73-Q77 PolarHBondContact N-O 3.43Å
74D84.6Confident90.5Very high180 Ų18047.6 Ų47.696%0.96324%0.237SC*.THydrogen-bonded Turntrans-61.8-23.1176.4-44.2-72.1000112.1R76D74-R76 PolarHBondContact O-N 3.04Å
75D84.9Confident90.5Very high62 Ų6247.7 Ų47.733%0.33224%0.238SC..THydrogen-bonded Turntrans-754.1171.168.3-14.1000114.4T39 G73 Q77 Y79T39-D75 WeakPolarHBondContact CG2-O 3.45Å; G73-D75 WeakPolarHBondContact CA-OD1 3.49Å; G73-D75 PolarHBondContact O-N 3.22Å; G73-D75 VanDerWaalsContact O-N 3.16Å; D75-Q77 HydrophobicContact CB-CG 4.47Å; D75-Q77 PolarHBondContact O-N 2.91Å; D75-Q77 PolarHBondContact OD1-N 3.24Å; D75-Q77 VanDerWaalsContact OD1-N 3.13Å; D75-Q77 VanDerWaalsContact OD2-CD 3.23Å; D75-Q77 WeakPolarHBondContact OD2-CG 3.47Å; D75-Q77 PolarHBondContact OD2-NE2 2.95Å; D75-Y79 WeakPolarHBondContact OD1-CE2 3.43Å; D75-Y79 PolarHBondContact OD2-OH 2.94Å
76R81.6Confident90.5Very high158 Ų15850.4 Ų50.460%0.59625%0.249SC*.SBendtrans59.729.4-178.1-69.1-175.1-174.9-173.23.2114.3L38 T39 E72 G73 D74L38-R76 CarbonylContact C-O 3.53Å; L38-R76 WeakPolarHBondContact CB-O 3.36Å; L38-R76 PolarHBondContact N-O 3.05Å; T39-R76 HydrophobicContact CG2-CB 4.14Å; E72-R76 VanDerWaalsContact OE1-CA 3.29Å; E72-R76 WeakPolarHBondContact OE1-CA 3.4Å; G73-R76 WeakPolarHBondContact O-CA 3.4Å; G73-R76 PolarHBondContact O-N 3.48Å; D74-R76 PolarHBondContact O-N 3.04Å
77Q85.1Confident90.5Very high47 Ų4748.4 Ų48.422%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-102.8142171.7-57.2-175.825.600110.6L36 E72 G73 D75 Y79L36-Q77 CarbonylContact O-C 3.32Å; L36-Q77 WeakPolarHBondContact O-CA 3.37Å; L36-Q77 WeakPolarHBondContact O-CB 3.47Å; E72-Q77 CarbonylContact C-O 3.58Å; E72-Q77 WeakPolarHBondContact CA-O 3.5Å; G73-Q77 PolarHBondContact N-O 3.43Å; D75-Q77 HydrophobicContact CB-CG 4.47Å; D75-Q77 PolarHBondContact O-N 2.91Å; D75-Q77 PolarHBondContact OD1-N 3.24Å; D75-Q77 VanDerWaalsContact OD1-N 3.13Å; D75-Q77 VanDerWaalsContact OD2-CD 3.23Å; D75-Q77 WeakPolarHBondContact OD2-CG 3.47Å; D75-Q77 PolarHBondContact OD2-NE2 2.95Å; Q77-Y79 HydrophobicContact CB-CD2 4.39Å; Q77-Y79 HydrophobicContact CB-CE2 3.76Å; Q77-Y79 VanDerWaalsContact O-CD2 3.23Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.44Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.42Å
78L86.8Confident90.4Very high8 Ų847.4 Ų47.44%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-87.8121.6171.3174.765.6000109.5L36 L38 A49 I80L36-L78 HydrophobicContact CB-CB 4.31Å; L36-L78 PolarHBondContact N-O 3.28Å; L36-L78 PolarHBondContact O-N 3.16Å; L38-L78 HydrophobicContact CD1-CB 3.59Å; L38-L78 HydrophobicContact CD1-CD2 4.44Å; L38-L78 HydrophobicContact CG-CB 4.37Å; A49-L78 HydrophobicContact CB-CD2 3.65Å; L78-I80 HydrophobicContact CD2-CD1 4.1Å; L78-I80 HydrophobicContact CD2-CG1 4.26Å; L78-I80 HydrophobicContact CG-CD1 4.42Å; L78-I80 HydrophobicContact CG-CG1 4.04Å
79Y90.6Very high90.4Very high18 Ų1845.1 Ų45.17%0.07124%0.242CC..EExtended strand (participates in β ladder)trans-100.6118.6178.3-69.1-98.7000109.2M2 I33 K35 S70 W71 D75 Q77M2-Y79 HydrophobicContact CE-CD1 4.3Å; M2-Y79 HydrophobicContact CE-CE1 3.63Å; M2-Y79 HydrophobicContact SD-CD1 4.11Å; M2-Y79 HydrophobicContact SD-CE1 3.94Å; I33-Y79 HydrophobicContact CG2-CD1 3.76Å; K35-Y79 HydrophobicContact CD-CE1 4.07Å; K35-Y79 HydrophobicContact CG-CD1 4.04Å; K35-Y79 HydrophobicContact CG-CE1 3.71Å; S70-Y79 CarbonylContact C-O 3.57Å; S70-Y79 WeakPolarHBondContact CA-O 3.28Å; S70-Y79 WeakPolarHBondContact CB-O 3.46Å; W71-Y79 AromaticContact CD1-CD2 3.86Å; W71-Y79 VanDerWaalsContact CE2-CB 3.41Å; W71-Y79 AromaticContact CE2-CG 3.7Å; W71-Y79 HydrophobicContact CZ2-CD1 4.05Å; W71-Y79 AromaticContact CZ2-CG 3.95Å; W71-Y79 HydrophobicContact CZ2-CG 3.95Å; W71-Y79 PolarHBondContact N-O 2.99Å; W71-Y79 AromaticContact NE1-CD2 3.4Å; W71-Y79 AromaticContact NE1-CG 3.39Å; W71-Y79 WeakPolarHBondContact O-CB 3.33Å; W71-Y79 PolarHBondContact O-N 3.44Å; D75-Y79 WeakPolarHBondContact OD1-CE2 3.43Å; D75-Y79 PolarHBondContact OD2-OH 2.94Å; Q77-Y79 HydrophobicContact CB-CD2 4.39Å; Q77-Y79 HydrophobicContact CB-CE2 3.76Å; Q77-Y79 VanDerWaalsContact O-CD2 3.23Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.44Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.42Å
80I91Very high90.6Very high4 Ų443 Ų432%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-115.4121176-54-179.5000109.5I33 K34 L36 A53 L56 Y67 L78 M82I33-I80 WeakPolarHBondContact CA-O 3.5Å; K34-I80 PolarHBondContact N-O 3.21Å; K34-I80 PolarHBondContact O-N 2.94Å; L36-I80 HydrophobicContact CD1-CD1 3.84Å; L36-I80 HydrophobicContact CD1-CG1 4.07Å; A53-I80 HydrophobicContact CB-CD1 4.17Å; A53-I80 HydrophobicContact CB-CG1 4.48Å; L56-I80 HydrophobicContact CD1-CD1 4.49Å; Y67-I80 HydrophobicContact CD2-CG2 4.13Å; Y67-I80 HydrophobicContact CE2-CG2 4.2Å; L78-I80 HydrophobicContact CD2-CD1 4.1Å; L78-I80 HydrophobicContact CD2-CG1 4.26Å; L78-I80 HydrophobicContact CG-CD1 4.42Å; L78-I80 HydrophobicContact CG-CG1 4.04Å; I80-M82 HydrophobicContact CG2-CG 4.25Å
81V93.7Very high90.7Very high0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-97.1126.9-179.6-167.10000111.1Y5 Y31 V32 I33 R68 E69 W71Y5-V81 HydrophobicContact CE1-CG1 4Å; Y5-V81 HydrophobicContact CE2-CG2 4.33Å; Y31-V81 HydrophobicContact CD1-CG1 4.3Å; Y31-V81 HydrophobicContact CG-CG1 4.13Å; V32-V81 CarbonylContact O-C 3.5Å; V32-V81 WeakPolarHBondContact O-CA 3.47Å; I33-V81 HydrophobicContact CD1-CG2 4.26Å; I33-V81 HydrophobicContact CG1-CG1 4.37Å; I33-V81 HydrophobicContact CG1-CG2 4.1Å; R68-V81 HydrophobicContact CB-CB 4.26Å; R68-V81 HydrophobicContact CB-CG1 4.2Å; R68-V81 PolarHBondContact N-O 2.95Å; E69-V81 HydrophobicContact CG-CB 3.97Å; E69-V81 HydrophobicContact CG-CG2 3.74Å; E69-V81 WeakPolarHBondContact O-CB 3.3Å; E69-V81 PolarHBondContact O-N 2.83Å; W71-V81 HydrophobicContact CE3-CG2 4.46Å; W71-V81 HydrophobicContact CH2-CG2 3.74Å; W71-V81 HydrophobicContact CZ3-CG2 3.47Å; W71-V81 VanDerWaalsContact CZ3-CG2 3.47Å
82M93.9Very high90.8Very high23 Ų2348 Ų4811%0.11325%0.25CS..EExtended strand (participates in β ladder)trans-131.1152.7-176-63.7-171-70.100111.8Y31 V32 K34 V65 T66 I80 F84Y31-M82 WeakPolarHBondContact CA-O 3.41Å; Y31-M82 WeakPolarHBondContact CD1-O 3.31Å; V32-M82 PolarHBondContact N-O 3.18Å; V32-M82 PolarHBondContact O-N 2.94Å; K34-M82 HydrophobicContact CB-CE 4.14Å; K34-M82 HydrophobicContact CD-CE 4.24Å; V65-M82 HydrophobicContact CG1-CB 3.87Å; V65-M82 HydrophobicContact CG1-CG 4.41Å; V65-M82 HydrophobicContact CG1-SD 4.15Å; T66-M82 CarbonylContact O-C 3.58Å; T66-M82 WeakPolarHBondContact O-CA 3.38Å; I80-M82 HydrophobicContact CG2-CG 4.25Å; M82-F84 PolarHBondContact O-N 3.39Å
83G94.4Very high91.1Very high20 Ų2047 Ų4721%0.20624%0.243CC..EExtended strand (participates in β ladder)trans-63.4123.8175.500000112.5T66T66-G83 PolarHBondContact O-N 2.88Å
84F94.9Very high91.6Very high43 Ų4346.7 Ų46.719%0.18924%0.237CC..  trans-68.6135.8176.9178-128.5000111.5L21 Q30 V32 M82 E86L21-F84 HydrophobicContact CD1-CB 4.16Å; L21-F84 HydrophobicContact CD1-CD1 3.6Å; L21-F84 HydrophobicContact CD1-CD2 3.77Å; L21-F84 HydrophobicContact CD1-CE1 3.85Å; L21-F84 HydrophobicContact CD1-CE2 4.02Å; L21-F84 HydrophobicContact CD1-CG 3.56Å; L21-F84 HydrophobicContact CD1-CZ 4.07Å; L21-F84 HydrophobicContact CD2-CE1 4.36Å; L21-F84 HydrophobicContact CD2-CZ 4.31Å; Q30-F84 HydrophobicContact CB-CB 4.26Å; Q30-F84 HydrophobicContact CB-CD1 3.87Å; Q30-F84 HydrophobicContact CB-CG 4.46Å; V32-F84 HydrophobicContact CG2-CB 4.07Å; V32-F84 HydrophobicContact CG2-CD2 3.66Å; V32-F84 HydrophobicContact CG2-CG 4.29Å; M82-F84 PolarHBondContact O-N 3.39Å; F84-E86 HydrophobicContact CD1-CG 3.94Å; F84-E86 HydrophobicContact CE1-CB 4.06Å; F84-E86 HydrophobicContact CE1-CG 3.89Å
85C95.2Very high92Very high8 Ų844.9 Ų44.95%0.05422%0.221CC..  trans-109.3107.1177.8-64.20000108.8G87 G88 F137 L138C85-G87 VanDerWaalsContact C-N 3.29Å; C85-G87 PolarHBondContact O-N 3.18Å; C85-G88 PolarHBondContact O-N 2.92Å; C85-F137 HydrophobicContact CB-CB 3.65Å; C85-F137 HydrophobicContact CB-CG 4.47Å; C85-L138 CarbonylContact C-O 3.49Å; C85-L138 WeakPolarHBondContact CB-O 3.46Å
86E93.6Very high92.4Very high76 Ų7647.9 Ų47.936%0.35523%0.233SC..THydrogen-bonded Turntrans-76.4-14.9-162.2-41.197.2133.200114.2F84 G88 L138 K140F84-E86 HydrophobicContact CD1-CG 3.94Å; F84-E86 HydrophobicContact CE1-CB 4.06Å; F84-E86 HydrophobicContact CE1-CG 3.89Å; E86-G88 VanDerWaalsContact C-N 3.32Å; E86-L138 PolarHBondContact N-O 3.36Å; E86-K140 HydrophobicContact CB-CB 4.22Å; E86-K140 HydrophobicContact CG-CB 4.5Å; E86-K140 WeakPolarHBondContact OE1-CD 3.4Å; E86-K140 WeakPolarHBondContact OE1-CG 3.47Å; E86-K140 IonicContact OE1-NZ 3.68Å; E86-K140 PolarHBondContact OE1-NZ 3.29Å; E86-K140 PolarHBondContact OE2-N 2.89Å
87G92.5Very high92.9Very high35 Ų3541.8 Ų41.836%0.36121%0.211SC..THydrogen-bonded Turntrans-83.2-3.3176.900000114.5C85 L138C85-G87 VanDerWaalsContact C-N 3.29Å; C85-G87 PolarHBondContact O-N 3.18Å; G87-L138 VanDerWaalsContact CA-O 3.26Å; G87-L138 WeakPolarHBondContact CA-O 3.25Å; G87-L138 PolarHBondContact N-O 3.3Å
88G93.3Very high93.2Very high29 Ų2949.1 Ų49.130%0.29924%0.242SC..  trans75.5-164.2-177.200000113.4C85 E86 F137 L138C85-G88 PolarHBondContact O-N 2.92Å; E86-G88 VanDerWaalsContact C-N 3.32Å; G88-F137 CarbonylContact O-C 3.58Å; G88-F137 WeakPolarHBondContact O-CA 3.45Å; G88-L138 PolarHBondContact O-N 2.81Å
89D93.8Very high93.3Very high29 Ų2951.3 Ų51.316%0.15527%0.267CS..BIsolated β-bridgetrans-86155.917762.295.8000113.3Y91 H92 R93 Q134 I136 F137D89-Y91 VanDerWaalsContact C-N 3.34Å; D89-Y91 PolarHBondContact O-N 3.05Å; D89-Y91 WeakPolarHBondContact OD1-CB 3.05Å; D89-Y91 PolarHBondContact OD1-N 2.98Å; D89-H92 IonicContact OD1-CE1 3.97Å; D89-H92 IonicContact OD1-CG 3.39Å; D89-H92 PolarHBondContact OD1-N 3.18Å; D89-H92 IonicContact OD1-ND1 2.95Å; D89-H92 PolarHBondContact OD1-ND1 3.16Å; D89-H92 IonicContact OD2-CE1 3.24Å; D89-H92 IonicContact OD2-CG 3.6Å; D89-H92 IonicContact OD2-ND1 2.79Å; D89-H92 PolarHBondContact OD2-ND1 3.41Å; D89-R93 WeakPolarHBondContact O-CB 3.32Å; D89-R93 PolarHBondContact O-N 3.02Å; D89-Q134 WeakPolarHBondContact CB-O 3.42Å; D89-I136 CarbonylContact C-O 3.5Å; D89-I136 WeakPolarHBondContact CA-O 3.41Å; D89-F137 HydrophobicContact CB-CD1 4.05Å; D89-F137 HydrophobicContact CB-CE1 4.1Å
90L95.8Very high93.6Very high0 Ų057.6 Ų57.60%030%0.297CS..Hα-helixtrans-66.4-34.6-177.9177.661.6000111.7R93 L94 W110 T133 I136 L138 M198L90-R93 CarbonylContact O-C 3.28Å; L90-R93 PolarHBondContact O-N 3.45Å; L90-L94 HydrophobicContact CD1-CD1 4.31Å; L90-L94 HydrophobicContact CD1-CD2 4.24Å; L90-L94 HydrophobicContact CD1-CG 3.96Å; L90-L94 HydrophobicContact CG-CD1 4.13Å; L90-L94 HydrophobicContact CG-CG 4.23Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.49Å; L90-W110 HydrophobicContact CD1-CE3 3.6Å; L90-W110 HydrophobicContact CD1-CH2 4.4Å; L90-W110 HydrophobicContact CD1-CZ3 3.52Å; L90-T133 WeakPolarHBondContact CB-O 3.42Å; L90-T133 HydrophobicContact CD2-CG2 4.15Å; L90-T133 HydrophobicContact CG-CG2 4.39Å; L90-T133 PolarHBondContact N-O 2.88Å; L90-I136 HydrophobicContact CB-CB 4.14Å; L90-I136 HydrophobicContact CB-CG2 4.16Å; L90-I136 VanDerWaalsContact CB-O 3.27Å; L90-I136 WeakPolarHBondContact CB-O 3.3Å; L90-I136 HydrophobicContact CD2-CB 4.23Å; L90-I136 HydrophobicContact CD2-CD1 4.43Å; L90-I136 HydrophobicContact CD2-CG2 3.86Å; L90-I136 PolarHBondContact N-O 3.4Å; L90-L138 HydrophobicContact CB-CD1 4.19Å; L90-L138 HydrophobicContact CD1-CD1 4.4Å; L90-M198 HydrophobicContact CD1-CG 4.39Å; L90-M198 HydrophobicContact CD1-SD 4.45Å; L90-M198 HydrophobicContact CD2-CG 3.98Å; L90-M198 HydrophobicContact CD2-SD 3.84Å
91Y94.1Very high93.8Very high73 Ų7359.9 Ų59.929%0.28631%0.309SS..Hα-helixtrans-59.8-50.9176.9173.4-110.4000112D89 R93 L94 K95 T133 Q134D89-Y91 VanDerWaalsContact C-N 3.34Å; D89-Y91 PolarHBondContact O-N 3.05Å; D89-Y91 WeakPolarHBondContact OD1-CB 3.05Å; D89-Y91 PolarHBondContact OD1-N 2.98Å; Y91-R93 VanDerWaalsContact C-N 3.33Å; Y91-R93 PolarHBondContact O-N 2.85Å; Y91-L94 PolarHBondContact O-N 3.19Å; Y91-K95 WeakPolarHBondContact O-CB 3.45Å; Y91-K95 PolarHBondContact O-N 2.86Å; Y91-T133 WeakPolarHBondContact CB-OG1 3.4Å; Y91-T133 PolarHBondContact N-O 3.5Å; Y91-Q134 HydrophobicContact CD1-CG 4.01Å; Y91-Q134 HydrophobicContact CG-CG 3.98Å
92H93.6Very high93.8Very high95 Ų9560 Ų6044%0.4431%0.31SS..Hα-helixtrans-63.5-38.6172.9-74.2103.7000111.9D89 L94 K95 Q96D89-H92 IonicContact OD1-CE1 3.97Å; D89-H92 IonicContact OD1-CG 3.39Å; D89-H92 PolarHBondContact OD1-N 3.18Å; D89-H92 IonicContact OD1-ND1 2.95Å; D89-H92 PolarHBondContact OD1-ND1 3.16Å; D89-H92 IonicContact OD2-CE1 3.24Å; D89-H92 IonicContact OD2-CG 3.6Å; D89-H92 IonicContact OD2-ND1 2.79Å; D89-H92 PolarHBondContact OD2-ND1 3.41Å; H92-L94 VanDerWaalsContact C-N 3.33Å; H92-L94 PolarHBondContact O-N 3.4Å; H92-K95 PolarHBondContact O-N 2.84Å; H92-Q96 VanDerWaalsContact O-CG 3.23Å; H92-Q96 WeakPolarHBondContact O-CG 3.45Å; H92-Q96 PolarHBondContact O-N 3.37Å
93R94.8Very high93.9Very high65 Ų6563.1 Ų63.125%0.24533%0.332CS..Hα-helixtrans-63-35.6177.1-178.162.5-16788.3-4.6112.9D89 L90 Y91 W110 L138D89-R93 WeakPolarHBondContact O-CB 3.32Å; D89-R93 PolarHBondContact O-N 3.02Å; L90-R93 CarbonylContact O-C 3.28Å; L90-R93 PolarHBondContact O-N 3.45Å; Y91-R93 VanDerWaalsContact C-N 3.33Å; Y91-R93 PolarHBondContact O-N 2.85Å; R93-W110 HydrophobicContact CG-CH2 4.02Å; R93-L138 HydrophobicContact CB-CD1 3.98Å; R93-L138 HydrophobicContact CG-CD1 4.14Å; R93-L138 HydrophobicContact CG-CD2 4.23Å
94L95.4Very high93.8Very high7 Ų764.1 Ų64.14%0.03733%0.331CS..Hα-helixtrans-73.3-43.9173.7-67.8176.6000111.2L90 Y91 H92 Q96 Q97 L102 W110 T133 E197 M198 L201L90-L94 HydrophobicContact CD1-CD1 4.31Å; L90-L94 HydrophobicContact CD1-CD2 4.24Å; L90-L94 HydrophobicContact CD1-CG 3.96Å; L90-L94 HydrophobicContact CG-CD1 4.13Å; L90-L94 HydrophobicContact CG-CG 4.23Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.49Å; Y91-L94 PolarHBondContact O-N 3.19Å; H92-L94 VanDerWaalsContact C-N 3.33Å; H92-L94 PolarHBondContact O-N 3.4Å; L94-Q96 PolarHBondContact O-N 2.89Å; L94-Q97 VanDerWaalsContact O-CB 3.24Å; L94-Q97 WeakPolarHBondContact O-CB 3.48Å; L94-Q97 WeakPolarHBondContact O-CG 3.4Å; L94-Q97 PolarHBondContact O-N 2.93Å; L94-L102 HydrophobicContact CD2-CD1 3.6Å; L94-L102 HydrophobicContact CD2-CG 4.41Å; L94-W110 HydrophobicContact CD2-CZ3 4.47Å; L94-T133 HydrophobicContact CD1-CG2 4.36Å; L94-E197 HydrophobicContact CD1-CG 3.98Å; L94-M198 HydrophobicContact CD1-CG 4.09Å; L94-M198 HydrophobicContact CD2-CB 4.48Å; L94-M198 HydrophobicContact CD2-CG 4.31Å; L94-L201 HydrophobicContact CB-CD2 4.08Å; L94-L201 HydrophobicContact CD2-CD2 3.87Å
95K93.4Very high93.7Very high142 Ų14266.4 Ų66.462%0.61734%0.339SS*.Hα-helixtrans-59.1-33176.5-170.2172.6-179.1176.50112.8Y91 H92 Q97 K98Y91-K95 WeakPolarHBondContact O-CB 3.45Å; Y91-K95 PolarHBondContact O-N 2.86Å; H92-K95 PolarHBondContact O-N 2.84Å; K95-Q97 PolarHBondContact O-N 2.8Å; K95-K98 PolarHBondContact O-N 3.05Å
96Q93.8Very high93.6Very high125 Ų12568.2 Ų68.258%0.58435%0.346SS*.THydrogen-bonded Turntrans-64.9-16.4174.6-75.616722.400114.6H92 L94 K98H92-Q96 VanDerWaalsContact O-CG 3.23Å; H92-Q96 WeakPolarHBondContact O-CG 3.45Å; H92-Q96 PolarHBondContact O-N 3.37Å; L94-Q96 PolarHBondContact O-N 2.89Å; Q96-K98 PolarHBondContact O-N 3.39Å
97Q91.8Very high93.7Very high31 Ų3164.6 Ų64.615%0.14533%0.329CS..THydrogen-bonded Turntrans-71.9-11.5179-61.2-7182.100113.8L94 K95 G99 E100 L102 L201L94-Q97 VanDerWaalsContact O-CB 3.24Å; L94-Q97 WeakPolarHBondContact O-CB 3.48Å; L94-Q97 WeakPolarHBondContact O-CG 3.4Å; L94-Q97 PolarHBondContact O-N 2.93Å; K95-Q97 PolarHBondContact O-N 2.8Å; Q97-G99 PolarHBondContact O-N 2.77Å; Q97-E100 WeakPolarHBondContact CB-O 3.48Å; Q97-E100 WeakPolarHBondContact O-CB 3.41Å; Q97-E100 PolarHBondContact O-N 2.74Å; Q97-L102 VanDerWaalsContact NE2-CD2 3.3Å; Q97-L201 HydrophobicContact CB-CD1 3.84Å; Q97-L201 HydrophobicContact CB-CD2 4.29Å; Q97-L201 HydrophobicContact CG-CD2 4.26Å
98K90.2Very high93.8Very high200 Ų20063.1 Ų63.187%0.8731%0.313SS*.THydrogen-bonded Turntrans55.514.9177.2-58.9175.1-176.2175.90115.9K95 Q96K95-K98 PolarHBondContact O-N 3.05Å; Q96-K98 PolarHBondContact O-N 3.39Å
99G90.6Very high93.9Very high55 Ų5564.1 Ų64.157%0.56731%0.31SS*.THydrogen-bonded Turntrans113.7-12.4-176.200000114.6Q97 L101Q97-G99 PolarHBondContact O-N 2.77Å; G99-L101 PolarHBondContact O-N 2.85Å
100E94.9Very high94Very high149 Ų14962.9 Ų62.970%0.69630%0.303SS*.  trans-72.8110177-64.9-178.7-173.900111Q97Q97-E100 WeakPolarHBondContact CB-O 3.48Å; Q97-E100 WeakPolarHBondContact O-CB 3.41Å; Q97-E100 PolarHBondContact O-N 2.74Å
101L95.5Very high94.1Very high52 Ų5262.9 Ų62.927%0.27230%0.303SS..PPolyproline II helixtrans-63.1141.3-178.2-61.5-175.8000111.6G99 L201 P226 Q228 Y229G99-L101 PolarHBondContact O-N 2.85Å; L101-L201 HydrophobicContact CD2-CD1 4.29Å; L101-L201 HydrophobicContact CD2-CG 4.15Å; L101-P226 HydrophobicContact CD1-CB 3.61Å; L101-P226 HydrophobicContact CD1-CG 3.68Å; L101-Q228 HydrophobicContact CD1-CG 4.43Å; L101-Y229 HydrophobicContact CD1-CE2 4.42Å
102L95.3Very high94.2Very high4 Ų460.1 Ų60.12%0.02129%0.294CS..PPolyproline II helixtrans-63.4144.7178.5-78.6172.7000111.5L94 Q97 E104 Q106 V107 W110 M198 Y229L94-L102 HydrophobicContact CD2-CD1 3.6Å; L94-L102 HydrophobicContact CD2-CG 4.41Å; Q97-L102 VanDerWaalsContact NE2-CD2 3.3Å; L102-E104 PolarHBondContact O-N 3.42Å; L102-Q106 HydrophobicContact CD2-CG 4.31Å; L102-V107 HydrophobicContact CB-CG2 3.54Å; L102-V107 HydrophobicContact CD1-CG2 4.04Å; L102-V107 HydrophobicContact CG-CG2 4.45Å; L102-W110 HydrophobicContact CD1-CE3 4.01Å; L102-W110 HydrophobicContact CD1-CH2 4.46Å; L102-W110 HydrophobicContact CD1-CZ3 3.59Å; L102-W110 HydrophobicContact CD2-CH2 4.32Å; L102-W110 HydrophobicContact CD2-CZ3 4.23Å; L102-M198 HydrophobicContact CD1-CB 4.31Å; L102-Y229 WeakPolarHBondContact O-CE1 3.38Å; L102-Y229 PolarHBondContact O-OH 3.27Å; L102-Y229 VanDerWaalsContact O-OH 3.09Å
103P94.3Very high94.4Very high88 Ų8856.8 Ų56.857%0.57128%0.278SS*.PPolyproline II helixtrans-58.3133.6164.2-21.633.2000109.9R105 Q106 V107P103-R105 PolarHBondContact O-N 2.86Å; P103-R105 VanDerWaalsContact O-N 3.12Å; P103-Q106 WeakPolarHBondContact O-CA 3.14Å; P103-Q106 WeakPolarHBondContact O-CB 3.39Å; P103-Q106 PolarHBondContact O-N 3.19Å; P103-V107 PolarHBondContact O-N 3.14Å
104E93.5Very high94.5Very high41 Ų4153.7 Ų53.719%0.19227%0.267CS..Hα-helixtrans-47.5-45.1-178.9-179.8175.8101.200113.2L102 Q106 V107 V108 Y229 H230 L233 Y259 Q263L102-E104 PolarHBondContact O-N 3.42Å; E104-Q106 PolarHBondContact O-N 3.25Å; E104-V107 WeakPolarHBondContact O-CB 3.41Å; E104-V107 PolarHBondContact O-N 3.4Å; E104-V107 VanDerWaalsContact O-N 3.08Å; E104-V108 HydrophobicContact CG-CG2 4.25Å; E104-V108 WeakPolarHBondContact O-CG2 3.45Å; E104-V108 PolarHBondContact O-N 3.07Å; E104-Y229 HydrophobicContact CB-CD1 3.88Å; E104-Y229 HydrophobicContact CB-CE1 4.26Å; E104-Y229 HydrophobicContact CG-CD1 4.22Å; E104-Y229 WeakPolarHBondContact OE2-CA 3.49Å; E104-H230 VanDerWaalsContact OE2-CB 3.28Å; E104-H230 WeakPolarHBondContact OE2-CB 3.39Å; E104-H230 PolarHBondContact OE2-N 2.84Å; E104-L233 HydrophobicContact CG-CD2 4.36Å; E104-Y259 PolarHBondContact OE1-OH 3.49Å; E104-Q263 PolarHBondContact OE1-NE2 3.12Å
105R91.6Very high94.6Very high91 Ų9153.3 Ų53.334%0.34327%0.265SS..Hα-helixtrans-51.7-40.4176.3178-179.3170.8130.26.5112.4P103 E109P103-R105 PolarHBondContact O-N 2.86Å; P103-R105 VanDerWaalsContact O-N 3.12Å; R105-E109 WeakPolarHBondContact O-CB 3.39Å; R105-E109 PolarHBondContact O-N 3.29Å
106Q93.9Very high94.8Very high46 Ų4648.8 Ų48.822%0.21525%0.247CC..Hα-helixtrans-73.7-39.4-179.8-165.466.885.600111.7L102 P103 E104 E109 W110L102-Q106 HydrophobicContact CD2-CG 4.31Å; P103-Q106 WeakPolarHBondContact O-CA 3.14Å; P103-Q106 WeakPolarHBondContact O-CB 3.39Å; P103-Q106 PolarHBondContact O-N 3.19Å; E104-Q106 PolarHBondContact O-N 3.25Å; Q106-E109 PolarHBondContact NE2-OE2 2.83Å; Q106-E109 PolarHBondContact O-N 2.82Å; Q106-W110 HydrophobicContact CG-CD2 4.11Å; Q106-W110 HydrophobicContact CG-CE3 4.44Å; Q106-W110 HydrophobicContact CG-CH2 4.19Å; Q106-W110 HydrophobicContact CG-CZ2 3.82Å; Q106-W110 HydrophobicContact CG-CZ3 4.5Å; Q106-W110 VanDerWaalsContact NE2-NE1 3.19Å; Q106-W110 PolarHBondContact O-N 2.83Å
107V95.9Very high94.9Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-59.5-47.2174.1-1790000110.2L102 P103 E104 F111 V195 M198 Y229 L233L102-V107 HydrophobicContact CB-CG2 3.54Å; L102-V107 HydrophobicContact CD1-CG2 4.04Å; L102-V107 HydrophobicContact CG-CG2 4.45Å; P103-V107 PolarHBondContact O-N 3.14Å; E104-V107 WeakPolarHBondContact O-CB 3.41Å; E104-V107 PolarHBondContact O-N 3.4Å; E104-V107 VanDerWaalsContact O-N 3.08Å; V107-F111 WeakPolarHBondContact O-CB 3.05Å; V107-F111 PolarHBondContact O-N 3.23Å; V107-V195 HydrophobicContact CG1-CG1 4.33Å; V107-M198 HydrophobicContact CG1-CB 4.01Å; V107-M198 HydrophobicContact CG2-CB 4.48Å; V107-Y229 HydrophobicContact CG2-CE1 4.25Å; V107-L233 HydrophobicContact CG1-CD2 4.35Å
108V95.1Very high95.1Very high3 Ų341.4 Ų41.42%0.01821%0.212CC..Hα-helixtrans-70.3-39.3179.6-178.60000111.8E104 W110 F111 V112 L233 Y259 I260 Q263E104-V108 HydrophobicContact CG-CG2 4.25Å; E104-V108 WeakPolarHBondContact O-CG2 3.45Å; E104-V108 PolarHBondContact O-N 3.07Å; V108-W110 PolarHBondContact O-N 2.82Å; V108-F111 PolarHBondContact O-N 3.42Å; V108-V112 HydrophobicContact CG1-CG2 4.14Å; V108-V112 WeakPolarHBondContact O-CB 3.45Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.48Å; V108-V112 PolarHBondContact O-N 3.43Å; V108-L233 HydrophobicContact CG2-CD1 4.48Å; V108-Y259 HydrophobicContact CG2-CE1 4.35Å; V108-I260 HydrophobicContact CG1-CD1 3.95Å; V108-Q263 HydrophobicContact CB-CB 4.41Å; V108-Q263 HydrophobicContact CG1-CB 3.62Å; V108-Q263 HydrophobicContact CG1-CG 4.01Å; V108-Q263 HydrophobicContact CG2-CG 4.38Å
109E93.8Very high95.4Very high50 Ų5034.1 Ų34.123%0.23418%0.181CC..Hα-helixtrans-59.8-42.2174.9177.4179.9177.400112.3R105 Q106 Q113 F267R105-E109 WeakPolarHBondContact O-CB 3.39Å; R105-E109 PolarHBondContact O-N 3.29Å; Q106-E109 PolarHBondContact NE2-OE2 2.83Å; Q106-E109 PolarHBondContact O-N 2.82Å; E109-Q113 WeakPolarHBondContact O-CG 3.28Å; E109-Q113 PolarHBondContact O-NE2 3.34Å; E109-F267 HydrophobicContact CG-CD2 4.31Å; E109-F267 HydrophobicContact CG-CE2 3.98Å; E109-F267 HydrophobicContact CG-CZ 4.48Å; E109-F267 VanDerWaalsContact OE1-CE2 3.22Å; E109-F267 WeakPolarHBondContact OE1-CE2 3.49Å; E109-F267 WeakPolarHBondContact OE1-CZ 3.35Å; E109-F267 WeakPolarHBondContact OE2-CE2 3.26Å
110W97Very high95.7Very high4 Ų433 Ų332%0.01516%0.16CC..Hα-helixtrans-73.6-43.5176.1-68.9-12.5000111.9L90 R93 L94 L102 Q106 V108 V112 Q113 I114 L138 N142 I144 M198L90-W110 HydrophobicContact CD1-CE3 3.6Å; L90-W110 HydrophobicContact CD1-CH2 4.4Å; L90-W110 HydrophobicContact CD1-CZ3 3.52Å; R93-W110 HydrophobicContact CG-CH2 4.02Å; L94-W110 HydrophobicContact CD2-CZ3 4.47Å; L102-W110 HydrophobicContact CD1-CE3 4.01Å; L102-W110 HydrophobicContact CD1-CH2 4.46Å; L102-W110 HydrophobicContact CD1-CZ3 3.59Å; L102-W110 HydrophobicContact CD2-CH2 4.32Å; L102-W110 HydrophobicContact CD2-CZ3 4.23Å; Q106-W110 HydrophobicContact CG-CD2 4.11Å; Q106-W110 HydrophobicContact CG-CE3 4.44Å; Q106-W110 HydrophobicContact CG-CH2 4.19Å; Q106-W110 HydrophobicContact CG-CZ2 3.82Å; Q106-W110 HydrophobicContact CG-CZ3 4.5Å; Q106-W110 VanDerWaalsContact NE2-NE1 3.19Å; Q106-W110 PolarHBondContact O-N 2.83Å; V108-W110 PolarHBondContact O-N 2.82Å; W110-V112 PolarHBondContact O-N 2.89Å; W110-Q113 PolarHBondContact O-N 2.94Å; W110-I114 WeakPolarHBondContact O-CG1 3.45Å; W110-I114 PolarHBondContact O-N 2.83Å; W110-L138 HydrophobicContact CH2-CD2 4.05Å; W110-L138 HydrophobicContact CZ2-CD2 3.56Å; W110-N142 PolarHBondContact NE1-O 3.37Å; W110-I144 HydrophobicContact CB-CD1 4.05Å; W110-I144 HydrophobicContact CB-CG1 3.85Å; W110-I144 HydrophobicContact CD2-CD1 4.13Å; W110-I144 HydrophobicContact CG-CD1 3.77Å; W110-I144 HydrophobicContact CG-CG1 3.72Å; W110-M198 HydrophobicContact CB-SD 3.75Å; W110-M198 HydrophobicContact CE3-SD 3.89Å
111F97.5Very high95.6Very high0 Ų025.9 Ų25.90%013%0.127CC..Hα-helixtrans-54.3-48.5175.3167.7-127.6000113.1V107 V108 Q113 I114 A115 L191 V195 M198 L236 M240 I254 I260V107-F111 WeakPolarHBondContact O-CB 3.05Å; V107-F111 PolarHBondContact O-N 3.23Å; V108-F111 PolarHBondContact O-N 3.42Å; F111-Q113 VanDerWaalsContact C-N 3.29Å; F111-Q113 PolarHBondContact O-N 3.34Å; F111-I114 PolarHBondContact O-N 2.89Å; F111-A115 WeakPolarHBondContact O-CB 3.48Å; F111-A115 PolarHBondContact O-N 3.39Å; F111-L191 HydrophobicContact CD2-CD1 4.06Å; F111-L191 HydrophobicContact CD2-CG 4.41Å; F111-L191 HydrophobicContact CE2-CD1 4.15Å; F111-L191 HydrophobicContact CE2-CD2 3.91Å; F111-L191 HydrophobicContact CE2-CG 4.01Å; F111-V195 HydrophobicContact CB-CG2 4.12Å; F111-V195 HydrophobicContact CD2-CB 4.46Å; F111-V195 HydrophobicContact CD2-CG1 4.46Å; F111-V195 HydrophobicContact CD2-CG2 3.18Å; F111-V195 HydrophobicContact CE2-CG2 3.66Å; F111-V195 HydrophobicContact CG-CG1 4.47Å; F111-V195 HydrophobicContact CG-CG2 3.85Å; F111-M198 HydrophobicContact CB-CE 4.18Å; F111-L236 HydrophobicContact CE1-CD2 3.58Å; F111-L236 HydrophobicContact CE1-CG 4.48Å; F111-L236 HydrophobicContact CZ-CD2 3.82Å; F111-L236 HydrophobicContact CZ-CG 4.29Å; F111-M240 HydrophobicContact CE2-CE 3.95Å; F111-M240 HydrophobicContact CE2-SD 3.96Å; F111-M240 HydrophobicContact CZ-CE 4.02Å; F111-M240 HydrophobicContact CZ-SD 4.17Å; F111-I254 HydrophobicContact CE1-CG2 4.04Å; F111-I254 HydrophobicContact CE2-CG2 4.21Å; F111-I254 HydrophobicContact CZ-CG2 3.39Å; F111-I260 HydrophobicContact CD1-CD1 3.97Å; F111-I260 HydrophobicContact CE1-CD1 3.65Å; F111-I260 HydrophobicContact CE1-CG1 4.2Å
112V96.4Very high95.5Very high14 Ų1425 Ų259%0.08512%0.121CC..Hα-helixtrans-60.8-39.2179.5168.30000111.1V108 W110 A115 M116 L255 I260 I264V108-V112 HydrophobicContact CG1-CG2 4.14Å; V108-V112 WeakPolarHBondContact O-CB 3.45Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.48Å; V108-V112 PolarHBondContact O-N 3.43Å; W110-V112 PolarHBondContact O-N 2.89Å; V112-A115 PolarHBondContact O-N 3.33Å; V112-M116 HydrophobicContact CG1-CG 4.41Å; V112-M116 HydrophobicContact CG1-SD 3.98Å; V112-M116 WeakPolarHBondContact O-CB 3.33Å; V112-M116 VanDerWaalsContact O-CG 3.28Å; V112-M116 WeakPolarHBondContact O-CG 3.41Å; V112-M116 PolarHBondContact O-N 3.04Å; V112-L255 HydrophobicContact CG1-CD2 4.04Å; V112-L255 HydrophobicContact CG2-CD2 4.47Å; V112-I260 HydrophobicContact CG2-CG2 3.68Å; V112-I264 HydrophobicContact CG1-CD1 3.86Å; V112-I264 HydrophobicContact CG1-CG1 4.18Å; V112-I264 HydrophobicContact CG2-CD1 4Å; V112-I264 HydrophobicContact CG2-CG1 4.05Å
113Q96.8Very high95.4Very high25 Ų2529.4 Ų29.412%0.11714%0.142CC..Hα-helixtrans-67-39.3177.1-72.5173.780.600112.9N63 E109 W110 F111 A117 I144N63-Q113 HydrophobicContact CB-CB 4.35Å; N63-Q113 WeakPolarHBondContact CB-O 3.15Å; N63-Q113 WeakPolarHBondContact ND2-CB 3.4Å; N63-Q113 WeakPolarHBondContact ND2-CG 3.26Å; N63-Q113 PolarHBondContact ND2-OE1 3.27Å; E109-Q113 WeakPolarHBondContact O-CG 3.28Å; E109-Q113 PolarHBondContact O-NE2 3.34Å; W110-Q113 PolarHBondContact O-N 2.94Å; F111-Q113 VanDerWaalsContact C-N 3.29Å; F111-Q113 PolarHBondContact O-N 3.34Å; Q113-A117 PolarHBondContact O-N 2.94Å; Q113-I144 HydrophobicContact CB-CB 3.83Å; Q113-I144 HydrophobicContact CB-CG1 4.37Å; Q113-I144 HydrophobicContact CB-CG2 4.37Å
114I98Very high95.2Very high0 Ų030.8 Ų30.80%014%0.135CC..Hα-helixtrans-66.2-45174.2-55.7157.5000109.7W110 F111 M116 A117 L118 L131 I136 I144 V146 L191 M198W110-I114 WeakPolarHBondContact O-CG1 3.45Å; W110-I114 PolarHBondContact O-N 2.83Å; F111-I114 PolarHBondContact O-N 2.89Å; I114-M116 PolarHBondContact O-N 3Å; I114-A117 WeakPolarHBondContact O-CB 3.37Å; I114-A117 PolarHBondContact O-N 3.17Å; I114-L118 HydrophobicContact CG2-CD1 4.04Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 2.84Å; I114-L131 HydrophobicContact CG2-CD1 4.32Å; I114-I136 HydrophobicContact CD1-CD1 4Å; I114-I136 HydrophobicContact CD1-CG2 4.25Å; I114-I136 HydrophobicContact CG1-CD1 4.32Å; I114-I136 HydrophobicContact CG1-CG2 4.13Å; I114-I136 HydrophobicContact CG2-CD1 4.29Å; I114-I144 HydrophobicContact CG1-CG2 3.8Å; I114-V146 HydrophobicContact CB-CG2 4.44Å; I114-V146 HydrophobicContact CG2-CG2 4.02Å; I114-L191 HydrophobicContact CB-CD1 4.05Å; I114-L191 HydrophobicContact CG2-CD1 3.56Å; I114-M198 HydrophobicContact CD1-CE 3.95Å; I114-M198 HydrophobicContact CD1-SD 4.42Å
115A97.6Very high95Very high0 Ų036.2 Ų36.20%017%0.166CC..Hα-helixtrans-62.6-41.5177.900000112.2F111 V112 A117 L118 Q119 L191 V251 L255F111-A115 WeakPolarHBondContact O-CB 3.48Å; F111-A115 PolarHBondContact O-N 3.39Å; V112-A115 PolarHBondContact O-N 3.33Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A117 PolarHBondContact O-N 3.09Å; A115-L118 PolarHBondContact O-N 2.83Å; A115-Q119 PolarHBondContact O-N 3.07Å; A115-L191 HydrophobicContact CB-CD2 4.48Å; A115-V251 HydrophobicContact CB-CG1 3.84Å; A115-V251 WeakPolarHBondContact O-CG1 3.43Å; A115-L255 HydrophobicContact CB-CD1 4.14Å; A115-L255 HydrophobicContact CB-CD2 3.86Å; A115-L255 HydrophobicContact CB-CG 3.98Å
116M96.9Very high94.8Very high47 Ų4732.8 Ų32.823%0.23215%0.154CC..Hα-helixtrans-61.1-40.5174-74.7172.559.300112.2V112 I114 Q119 Y120 L255 I365V112-M116 HydrophobicContact CG1-CG 4.41Å; V112-M116 HydrophobicContact CG1-SD 3.98Å; V112-M116 WeakPolarHBondContact O-CB 3.33Å; V112-M116 VanDerWaalsContact O-CG 3.28Å; V112-M116 WeakPolarHBondContact O-CG 3.41Å; V112-M116 PolarHBondContact O-N 3.04Å; I114-M116 PolarHBondContact O-N 3Å; M116-Q119 PolarHBondContact O-N 2.84Å; M116-Y120 PolarHBondContact O-N 2.99Å; M116-Y120 VanDerWaalsContact O-N 3.07Å; M116-L255 HydrophobicContact CG-CD1 4.22Å; M116-L255 HydrophobicContact CG-CD2 4.38Å; M116-I365 HydrophobicContact CE-CD1 3.74Å
117A96.4Very high94.5Very high0 Ų032.6 Ų32.60%015%0.154CC..Hα-helixtrans-63.8-42.3174.900000112.4H61 N63 I64 Q113 I114 A115 Y120 L121 V146H61-A117 PolarHBondContact CE1-N 3.14Å; N63-A117 HydrophobicContact CB-CB 4.15Å; N63-A117 WeakPolarHBondContact O-CB 3.3Å; I64-A117 HydrophobicContact CD1-CB 4.45Å; I64-A117 HydrophobicContact CG1-CB 3.82Å; Q113-A117 PolarHBondContact O-N 2.94Å; I114-A117 WeakPolarHBondContact O-CB 3.37Å; I114-A117 PolarHBondContact O-N 3.17Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A117 PolarHBondContact O-N 3.09Å; A117-Y120 PolarHBondContact O-N 3.07Å; A117-L121 WeakPolarHBondContact O-CD1 3.46Å; A117-L121 VanDerWaalsContact O-CG 3.3Å; A117-L121 WeakPolarHBondContact O-CG 3.45Å; A117-L121 PolarHBondContact O-N 3.29Å; A117-V146 HydrophobicContact CB-CB 4.08Å; A117-V146 HydrophobicContact CB-CG2 3.72Å
118L96.3Very high94.2Very high0 Ų032.6 Ų32.60%015%0.154CC..Hα-helixtrans-67.8-40.5176.6-69.2166.7000112.4I114 A115 Y120 L121 H122 H128 L131 D187 L191 V251I114-L118 HydrophobicContact CG2-CD1 4.04Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 2.84Å; A115-L118 PolarHBondContact O-N 2.83Å; L118-Y120 VanDerWaalsContact C-N 3.32Å; L118-Y120 PolarHBondContact O-N 3.25Å; L118-L121 HydrophobicContact CD2-CD1 4.45Å; L118-L121 PolarHBondContact O-N 3.48Å; L118-H122 WeakPolarHBondContact O-CB 3.49Å; L118-H122 VanDerWaalsContact O-CG 3.29Å; L118-H122 PolarHBondContact O-N 3.26Å; L118-H128 HydrophobicContact CD2-CB 4.01Å; L118-L131 HydrophobicContact CD1-CD2 3.67Å; L118-L131 HydrophobicContact CD2-CD1 4.45Å; L118-L131 HydrophobicContact CD2-CD2 4.12Å; L118-L131 HydrophobicContact CG-CD2 4.46Å; L118-D187 HydrophobicContact CD2-CB 4.41Å; L118-L191 HydrophobicContact CD1-CB 4.06Å; L118-L191 HydrophobicContact CD1-CD1 3.95Å; L118-L191 HydrophobicContact CD1-CD2 3.87Å; L118-L191 HydrophobicContact CD1-CG 4.18Å; L118-V251 HydrophobicContact CB-CG1 4.19Å; L118-V251 HydrophobicContact CB-CG2 4.14Å
119Q96.3Very high93.8Very high47 Ų4735 Ų3522%0.2216%0.163CC..Hα-helixtrans-57.7-46.7173.2-177.3-174.8-13.200110.7A115 M116 L121 H122 E123 V251 L255A115-Q119 PolarHBondContact O-N 3.07Å; M116-Q119 PolarHBondContact O-N 2.84Å; Q119-L121 PolarHBondContact O-N 3.47Å; Q119-H122 PolarHBondContact O-N 3.5Å; Q119-E123 HydrophobicContact CG-CG 4.12Å; Q119-E123 PolarHBondContact NE2-OE1 3.43Å; Q119-E123 WeakPolarHBondContact O-CB 3.42Å; Q119-E123 WeakPolarHBondContact O-CG 3.45Å; Q119-E123 PolarHBondContact O-N 3.2Å; Q119-V251 HydrophobicContact CB-CG1 4.1Å; Q119-L255 HydrophobicContact CB-CD1 4.33Å; Q119-L255 VanDerWaalsContact OE1-CD1 3.22Å
120Y95.8Very high93.4Very high32 Ų3234.6 Ų34.613%0.12516%0.162CC..Hα-helixtrans-57.8-36178.5174.7-85000113.1L59 R60 H61 I64 M116 A117 L118 R124L59-Y120 HydrophobicContact CB-CE1 4.38Å; L59-Y120 HydrophobicContact CD2-CE1 4.13Å; R60-Y120 PolarHBondContact N-OH 3.03Å; R60-Y120 WeakPolarHBondContact O-CE2 3.38Å; R60-Y120 PolarHBondContact O-OH 3.5Å; H61-Y120 HydrophobicContact CB-CD1 3.98Å; H61-Y120 HydrophobicContact CB-CD2 3.98Å; H61-Y120 HydrophobicContact CB-CE1 4.18Å; H61-Y120 HydrophobicContact CB-CE2 4.17Å; H61-Y120 HydrophobicContact CB-CG 3.89Å; H61-Y120 AromaticContact CD2-CD2 3.71Å; H61-Y120 AromaticContact CD2-CG 3.85Å; H61-Y120 AromaticContact CG-CG 3.94Å; I64-Y120 HydrophobicContact CD1-CD1 3.61Å; I64-Y120 HydrophobicContact CD1-CE1 4.1Å; I64-Y120 HydrophobicContact CD1-CG 4.47Å; M116-Y120 PolarHBondContact O-N 2.99Å; M116-Y120 VanDerWaalsContact O-N 3.07Å; A117-Y120 PolarHBondContact O-N 3.07Å; L118-Y120 VanDerWaalsContact C-N 3.32Å; L118-Y120 PolarHBondContact O-N 3.25Å; Y120-R124 VanDerWaalsContact CE2-CZ 3.4Å; Y120-R124 WeakPolarHBondContact O-CD 3.33Å; Y120-R124 PolarHBondContact O-NH1 2.9Å
121L93.3Very high93.2Very high0 Ų034.6 Ų34.60%016%0.163CC..Hα-helixtrans-75.9-48.6177.5-66.5161.6000111.6L59 I64 A117 L118 Q119 E123 R124 N125 I126 L149L59-L121 HydrophobicContact CD1-CD2 4.02Å; I64-L121 HydrophobicContact CD1-CD1 4.24Å; I64-L121 HydrophobicContact CD1-CD2 4.02Å; I64-L121 HydrophobicContact CD1-CG 3.97Å; A117-L121 WeakPolarHBondContact O-CD1 3.46Å; A117-L121 VanDerWaalsContact O-CG 3.3Å; A117-L121 WeakPolarHBondContact O-CG 3.45Å; A117-L121 PolarHBondContact O-N 3.29Å; L118-L121 HydrophobicContact CD2-CD1 4.45Å; L118-L121 PolarHBondContact O-N 3.48Å; Q119-L121 PolarHBondContact O-N 3.47Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 2.82Å; L121-R124 CarbonylContact O-C 3.59Å; L121-R124 WeakPolarHBondContact O-CA 3.42Å; L121-R124 WeakPolarHBondContact O-CB 3.07Å; L121-R124 PolarHBondContact O-N 2.86Å; L121-N125 PolarHBondContact O-N 3.48Å; L121-I126 CarbonylContact C-O 3.56Å; L121-I126 HydrophobicContact CB-CB 4.25Å; L121-I126 HydrophobicContact CD2-CB 4.19Å; L121-I126 HydrophobicContact CD2-CD1 4.4Å; L121-I126 HydrophobicContact CD2-CG2 3.96Å; L121-I126 PolarHBondContact O-N 3.37Å; L121-L149 HydrophobicContact CD1-CD2 3.55Å; L121-L149 HydrophobicContact CD2-CD1 4.35Å; L121-L149 HydrophobicContact CD2-CD2 3.72Å; L121-L149 HydrophobicContact CG-CD2 4.3Å
122H93.3Very high92.9Very high32 Ų3237 Ų3715%0.14817%0.173CC..Hα-helixtrans-63.3-37.8-179.9-68.3177000112.2L118 Q119 R124 N125 I126 H184 D187L118-H122 WeakPolarHBondContact O-CB 3.49Å; L118-H122 VanDerWaalsContact O-CG 3.29Å; L118-H122 PolarHBondContact O-N 3.26Å; Q119-H122 PolarHBondContact O-N 3.5Å; H122-R124 PolarHBondContact O-N 2.76Å; H122-R124 VanDerWaalsContact O-N 3.09Å; H122-N125 PolarHBondContact O-N 3.18Å; H122-I126 PolarHBondContact CD2-O 3.08Å; H122-H184 PolarHBondContact CE1-O 2.72Å; H122-D187 IonicContact CD2-OD2 3.51Å; H122-D187 IonicContact CE1-OD2 2.6Å; H122-D187 IonicContact NE2-OD2 2.83Å; H122-D187 PolarHBondContact NE2-OD2 3.34Å
123E93.6Very high92.9Very high98 Ų9836.4 Ų36.446%0.45817%0.169SC..THydrogen-bonded Turntrans-66.7-5.7172.6-71.8-178.916000113.7Q119 L121 K252Q119-E123 HydrophobicContact CG-CG 4.12Å; Q119-E123 PolarHBondContact NE2-OE1 3.43Å; Q119-E123 WeakPolarHBondContact O-CB 3.42Å; Q119-E123 WeakPolarHBondContact O-CG 3.45Å; Q119-E123 PolarHBondContact O-N 3.2Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 2.82Å; E123-K252 IonicContact OE1-NZ 2.68Å; E123-K252 PolarHBondContact OE1-NZ 2.67Å
124R90.8Very high92.6Very high117 Ų11737.7 Ų37.744%0.44218%0.175SC..THydrogen-bonded Turntrans-113.611172.5-71.2164.8-179.265.313.4112.8Y120 L121 H122 I126Y120-R124 VanDerWaalsContact CE2-CZ 3.4Å; Y120-R124 WeakPolarHBondContact O-CD 3.33Å; Y120-R124 PolarHBondContact O-NH1 2.9Å; L121-R124 CarbonylContact O-C 3.59Å; L121-R124 WeakPolarHBondContact O-CA 3.42Å; L121-R124 WeakPolarHBondContact O-CB 3.07Å; L121-R124 PolarHBondContact O-N 2.86Å; H122-R124 PolarHBondContact O-N 2.76Å; H122-R124 VanDerWaalsContact O-N 3.09Å; R124-I126 HydrophobicContact CB-CD1 3.93Å; R124-I126 HydrophobicContact CB-CG1 3.99Å; R124-I126 PolarHBondContact O-N 3.12Å
125N88.6Confident92.4Very high155 Ų15538.3 Ų38.383%0.82918%0.179SC*.THydrogen-bonded Turntrans58.125.1-172.7-56.3-51.9000114.3L121 H122L121-N125 PolarHBondContact O-N 3.48Å; H122-N125 PolarHBondContact O-N 3.18Å
126I88.4Confident92.3Very high18 Ų1838.3 Ų38.39%0.09218%0.179CC..  trans-96.3125.7177.1-52.9173.4000108.7L55 L59 L121 H122 R124L55-I126 HydrophobicContact CD1-CD1 3.89Å; L55-I126 HydrophobicContact CD2-CD1 4.23Å; L55-I126 HydrophobicContact CD2-CG1 4.4Å; L55-I126 HydrophobicContact CD2-CG2 4.45Å; L55-I126 HydrophobicContact CG-CD1 4.27Å; L59-I126 HydrophobicContact CD2-CD1 3.55Å; L121-I126 CarbonylContact C-O 3.56Å; L121-I126 HydrophobicContact CB-CB 4.25Å; L121-I126 HydrophobicContact CD2-CB 4.19Å; L121-I126 HydrophobicContact CD2-CD1 4.4Å; L121-I126 HydrophobicContact CD2-CG2 3.96Å; L121-I126 PolarHBondContact O-N 3.37Å; H122-I126 PolarHBondContact CD2-O 3.08Å; R124-I126 HydrophobicContact CB-CD1 3.93Å; R124-I126 HydrophobicContact CB-CG1 3.99Å; R124-I126 PolarHBondContact O-N 3.12Å
127L87.8Confident92.3Very high42 Ų4238 Ų3822%0.2218%0.176CC..  trans-95.8143.3174.7-58.4175.6000109.8R129 Y182 H184 D187L127-R129 HydrophobicContact CB-CG 4.1Å; L127-Y182 HydrophobicContact CD1-CD1 4.27Å; L127-H184 HydrophobicContact CD2-CB 3.96Å; L127-D187 WeakPolarHBondContact CA-OD2 3.23Å
128H89.3Confident92.3Very high0 Ų038.1 Ų38.10%018%0.176CC..  trans-78-38.5-179.4-165.2-64.4000112.1L118 D130 L131 V146 G147 D148 L149 G150 D187L118-H128 HydrophobicContact CD2-CB 4.01Å; H128-D130 PolarHBondContact O-N 3.46Å; H128-L131 HydrophobicContact CB-CB 4.3Å; H128-L131 PolarHBondContact ND1-N 2.86Å; H128-V146 VanDerWaalsContact CD2-CG1 3.42Å; H128-V146 WeakPolarHBondContact CD2-CG1 3.31Å; H128-V146 WeakPolarHBondContact NE2-CG1 3.34Å; H128-G147 PolarHBondContact CE1-O 2.84Å; H128-G147 PolarHBondContact NE2-O 2.77Å; H128-D148 PolarHBondContact CE1-O 3.28Å; H128-L149 VanDerWaalsContact CD2-CD2 3.45Å; H128-L149 WeakPolarHBondContact CD2-CD2 3.32Å; H128-G150 WeakPolarHBondContact O-CA 3.43Å; H128-G150 PolarHBondContact O-N 3.4Å; H128-D187 WeakPolarHBondContact CA-OD1 3.49Å; H128-D187 VanDerWaalsContact CB-OD1 3.28Å; H128-D187 WeakPolarHBondContact CB-OD1 3.18Å; H128-D187 PolarHBondContact N-OD1 3.22Å; H128-D187 VanDerWaalsContact N-OD1 3.13Å; H128-D187 PolarHBondContact N-OD2 3.31Å
129R86.6Confident92.1Very high55 Ų5539 Ų3921%0.20818%0.182CC..SBendtrans65.2-40.5177.3-59.9-175.1174.5-145.22.4116.5L127 R153 Y182 D187L127-R129 HydrophobicContact CB-CG 4.1Å; R129-R153 PolarHBondContact NH1-O 2.98Å; R129-Y182 HydrophobicContact CG-CD1 4.12Å; R129-Y182 HydrophobicContact CG-CE1 4.23Å; R129-Y182 HydrophobicContact CG-CG 4.47Å; R129-D187 PolarHBondContact N-OD1 2.77Å
130D85.1Confident91.9Very high41 Ų4144.2 Ų44.222%0.21920%0.204CC..SBendtrans-117.245.7179.1-16537000112.3H128 K132 N135H128-D130 PolarHBondContact O-N 3.46Å; D130-K132 PolarHBondContact O-N 3.21Å; D130-K132 WeakPolarHBondContact OD1-CE 3.42Å; D130-K132 IonicContact OD1-NZ 2.77Å; D130-K132 PolarHBondContact OD1-NZ 2.86Å; D130-K132 VanDerWaalsContact OD2-CE 3.25Å; D130-K132 WeakPolarHBondContact OD2-CE 3.13Å; D130-K132 IonicContact OD2-NZ 3.71Å; D130-K132 PolarHBondContact OD2-NZ 3.33Å; D130-N135 PolarHBondContact O-ND2 2.88Å; D130-N135 PolarHBondContact OD2-ND2 2.96Å
131L92.2Very high91.5Very high4 Ų446.3 Ų46.32%0.02122%0.22CC..  trans-78116178.3-176.972.1000110.6I114 L118 H128 I136 V146 A190 L191I114-L131 HydrophobicContact CG2-CD1 4.32Å; L118-L131 HydrophobicContact CD1-CD2 3.67Å; L118-L131 HydrophobicContact CD2-CD1 4.45Å; L118-L131 HydrophobicContact CD2-CD2 4.12Å; L118-L131 HydrophobicContact CG-CD2 4.46Å; H128-L131 HydrophobicContact CB-CB 4.3Å; H128-L131 PolarHBondContact ND1-N 2.86Å; L131-I136 HydrophobicContact CD1-CD1 4.08Å; L131-I136 HydrophobicContact CD1-CG1 4.28Å; L131-V146 HydrophobicContact CD1-CG1 4.24Å; L131-A190 HydrophobicContact CB-CB 3.98Å; L131-A190 HydrophobicContact CD2-CB 4.09Å; L131-A190 HydrophobicContact CG-CB 4.37Å; L131-L191 HydrophobicContact CD2-CB 3.98Å
132K92.4Very high91.3Very high51 Ų5150 Ų5022%0.22224%0.24CC..SBendtrans-158.7161.7-178.560.4-169.6174.1-151.80111.1D130 Q134 N135 I136 Y171D130-K132 PolarHBondContact O-N 3.21Å; D130-K132 WeakPolarHBondContact OD1-CE 3.42Å; D130-K132 IonicContact OD1-NZ 2.77Å; D130-K132 PolarHBondContact OD1-NZ 2.86Å; D130-K132 VanDerWaalsContact OD2-CE 3.25Å; D130-K132 WeakPolarHBondContact OD2-CE 3.13Å; D130-K132 IonicContact OD2-NZ 3.71Å; D130-K132 PolarHBondContact OD2-NZ 3.33Å; K132-Q134 VanDerWaalsContact CB-OE1 3.29Å; K132-Q134 HydrophobicContact CG-CB 4.3Å; K132-Q134 VanDerWaalsContact CG-OE1 3.23Å; K132-Q134 PolarHBondContact O-N 3.06Å; K132-Q134 VanDerWaalsContact O-N 3.1Å; K132-N135 VanDerWaalsContact CE-CG 3.43Å; K132-N135 WeakPolarHBondContact CE-OD1 3.29Å; K132-N135 HydrophobicContact CG-CB 4.14Å; K132-N135 PolarHBondContact O-N 2.84Å; K132-I136 WeakPolarHBondContact O-CG1 3.38Å; K132-I136 PolarHBondContact O-N 2.8Å; K132-Y171 HydrophobicContact CB-CD1 4.09Å; K132-Y171 HydrophobicContact CB-CD2 3.56Å; K132-Y171 HydrophobicContact CB-CE1 4.08Å; K132-Y171 HydrophobicContact CB-CE2 3.54Å; K132-Y171 HydrophobicContact CB-CG 3.86Å
133T94.6Very high91.4Very high0 Ų051.1 Ų51.10%025%0.247CC..THydrogen-bonded Turntrans-64.6-16.8-176.554.50000113.9L90 Y91 L94 Y171 C194 E197L90-T133 WeakPolarHBondContact CB-O 3.42Å; L90-T133 HydrophobicContact CD2-CG2 4.15Å; L90-T133 HydrophobicContact CG-CG2 4.39Å; L90-T133 PolarHBondContact N-O 2.88Å; Y91-T133 WeakPolarHBondContact CB-OG1 3.4Å; Y91-T133 PolarHBondContact N-O 3.5Å; L94-T133 HydrophobicContact CD1-CG2 4.36Å; T133-Y171 PolarHBondContact OG1-OH 3.28Å; T133-C194 HydrophobicContact CG2-CB 4.16Å; T133-E197 WeakPolarHBondContact CB-OE1 3.41Å; T133-E197 HydrophobicContact CG2-CB 4.41Å; T133-E197 HydrophobicContact CG2-CG 4.37Å; T133-E197 VanDerWaalsContact CG2-OE1 3.3Å; T133-E197 WeakPolarHBondContact CG2-OE1 3.47Å; T133-E197 PolarHBondContact OG1-OE1 3.2Å
134Q91.9Very high91.6Very high53 Ų5346.5 Ų46.525%0.24823%0.225CC..THydrogen-bonded Turntrans-77.3-24.6173.1-56.771.328.300112.8D89 Y91 K132 Y171D89-Q134 WeakPolarHBondContact CB-O 3.42Å; Y91-Q134 HydrophobicContact CD1-CG 4.01Å; Y91-Q134 HydrophobicContact CG-CG 3.98Å; K132-Q134 VanDerWaalsContact CB-OE1 3.29Å; K132-Q134 HydrophobicContact CG-CB 4.3Å; K132-Q134 VanDerWaalsContact CG-OE1 3.23Å; K132-Q134 PolarHBondContact O-N 3.06Å; K132-Q134 VanDerWaalsContact O-N 3.1Å; Q134-Y171 PolarHBondContact NE2-OH 3.42Å
135N92.9Very high91.9Very high13 Ų1342.4 Ų42.47%0.0721%0.21CC..SBendtrans-100.25.5-179-66.218.2000112.3D130 K132 F137 G147 D148D130-N135 PolarHBondContact O-ND2 2.88Å; D130-N135 PolarHBondContact OD2-ND2 2.96Å; K132-N135 VanDerWaalsContact CE-CG 3.43Å; K132-N135 WeakPolarHBondContact CE-OD1 3.29Å; K132-N135 HydrophobicContact CG-CB 4.14Å; K132-N135 PolarHBondContact O-N 2.84Å; N135-F137 WeakPolarHBondContact O-CD2 3.23Å; N135-F137 WeakPolarHBondContact O-CE2 3.5Å; N135-G147 PolarHBondContact O-N 2.86Å; N135-D148 HydrophobicContact CB-CB 4.15Å; N135-D148 WeakPolarHBondContact ND2-CB 3.43Å; N135-D148 PolarHBondContact ND2-O 3.21Å
136I96.6Very high92.2Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-109.7114.2178.2-62.6167.1000107.2D89 L90 I114 L131 K132 I144 C194D89-I136 CarbonylContact C-O 3.5Å; D89-I136 WeakPolarHBondContact CA-O 3.41Å; L90-I136 HydrophobicContact CB-CB 4.14Å; L90-I136 HydrophobicContact CB-CG2 4.16Å; L90-I136 VanDerWaalsContact CB-O 3.27Å; L90-I136 WeakPolarHBondContact CB-O 3.3Å; L90-I136 HydrophobicContact CD2-CB 4.23Å; L90-I136 HydrophobicContact CD2-CD1 4.43Å; L90-I136 HydrophobicContact CD2-CG2 3.86Å; L90-I136 PolarHBondContact N-O 3.4Å; I114-I136 HydrophobicContact CD1-CD1 4Å; I114-I136 HydrophobicContact CD1-CG2 4.25Å; I114-I136 HydrophobicContact CG1-CD1 4.32Å; I114-I136 HydrophobicContact CG1-CG2 4.13Å; I114-I136 HydrophobicContact CG2-CD1 4.29Å; L131-I136 HydrophobicContact CD1-CD1 4.08Å; L131-I136 HydrophobicContact CD1-CG1 4.28Å; K132-I136 WeakPolarHBondContact O-CG1 3.38Å; K132-I136 PolarHBondContact O-N 2.8Å; I136-I144 HydrophobicContact CG2-CD1 4.08Å; I136-I144 HydrophobicContact CG2-CG2 3.6Å; I136-C194 HydrophobicContact CD1-CB 4.38Å
137F96.1Very high92.2Very high40 Ų4034.4 Ų34.418%0.17517%0.169CC..EExtended strand (participates in β ladder)trans-107.3156.7-171-55.6-82000112.6V65 C85 G88 D89 N135 I144 K145V65-F137 HydrophobicContact CG2-CD2 3.77Å; V65-F137 HydrophobicContact CG2-CE2 4.37Å; C85-F137 HydrophobicContact CB-CB 3.65Å; C85-F137 HydrophobicContact CB-CG 4.47Å; G88-F137 CarbonylContact O-C 3.58Å; G88-F137 WeakPolarHBondContact O-CA 3.45Å; D89-F137 HydrophobicContact CB-CD1 4.05Å; D89-F137 HydrophobicContact CB-CE1 4.1Å; N135-F137 WeakPolarHBondContact O-CD2 3.23Å; N135-F137 WeakPolarHBondContact O-CE2 3.5Å; F137-I144 CarbonylContact O-C 3.59Å; F137-I144 WeakPolarHBondContact O-CA 3.18Å; F137-K145 PolarHBondContact N-O 2.96Å; F137-K145 PolarHBondContact O-N 2.82Å
138L95.7Very high91.7Very high2 Ų234.5 Ų34.51%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-112.1135.6173.7-64.194.6000110.9C85 E86 G87 G88 L90 R93 W110 I144C85-L138 CarbonylContact C-O 3.49Å; C85-L138 WeakPolarHBondContact CB-O 3.46Å; E86-L138 PolarHBondContact N-O 3.36Å; G87-L138 VanDerWaalsContact CA-O 3.26Å; G87-L138 WeakPolarHBondContact CA-O 3.25Å; G87-L138 PolarHBondContact N-O 3.3Å; G88-L138 PolarHBondContact O-N 2.81Å; L90-L138 HydrophobicContact CB-CD1 4.19Å; L90-L138 HydrophobicContact CD1-CD1 4.4Å; R93-L138 HydrophobicContact CB-CD1 3.98Å; R93-L138 HydrophobicContact CG-CD1 4.14Å; R93-L138 HydrophobicContact CG-CD2 4.23Å; W110-L138 HydrophobicContact CH2-CD2 4.05Å; W110-L138 HydrophobicContact CZ2-CD2 3.56Å; L138-I144 HydrophobicContact CD2-CD1 4.4Å; L138-I144 HydrophobicContact CG-CD1 4.03Å
139T93.9Very high90.7Very high19 Ų1935 Ų3512%0.11717%0.172CC..  trans-75167.8163.970.70000110.8T141 N142 I143 K145T139-T141 PolarHBondContact O-N 3.27Å; T139-T141 PolarHBondContact OG1-N 3.39Å; T139-T141 PolarHBondContact OG1-OG1 2.86Å; T139-N142 PolarHBondContact O-N 2.83Å; T139-I143 HydrophobicContact CG2-CB 4.29Å; T139-I143 PolarHBondContact N-O 2.92Å; T139-I143 PolarHBondContact OG1-N 3.44Å; T139-K145 HydrophobicContact CG2-CD 4.08Å; T139-K145 HydrophobicContact CG2-CG 4.45Å
140K90.5Very high89.4Confident156 Ų15632.8 Ų32.868%0.67817%0.166SC*.THydrogen-bonded Turntrans-54.8-14169.565168.6168.7-81.80115.3E86E86-K140 HydrophobicContact CB-CB 4.22Å; E86-K140 HydrophobicContact CG-CB 4.5Å; E86-K140 WeakPolarHBondContact OE1-CD 3.4Å; E86-K140 WeakPolarHBondContact OE1-CG 3.47Å; E86-K140 IonicContact OE1-NZ 3.68Å; E86-K140 PolarHBondContact OE1-NZ 3.29Å; E86-K140 PolarHBondContact OE2-N 2.89Å
141T88.9Confident87.8Confident76 Ų7631.7 Ų31.747%0.46616%0.16SC..THydrogen-bonded Turntrans-104.817.8177.259.30000112.8T139 I143T139-T141 PolarHBondContact O-N 3.27Å; T139-T141 PolarHBondContact OG1-N 3.39Å; T139-T141 PolarHBondContact OG1-OG1 2.86Å; T141-I143 PolarHBondContact O-N 2.8Å; T141-I143 VanDerWaalsContact O-N 3.16Å; T141-I143 WeakPolarHBondContact OG1-CD1 3.47Å; T141-I143 WeakPolarHBondContact OG1-CG1 3.35Å
142N89.2Confident85.6Confident77 Ų7733.6 Ų33.641%0.41218%0.176SC..  trans57.620.5-176.6-59.7-47000115.1W110 T139W110-N142 PolarHBondContact NE1-O 3.37Å; T139-N142 PolarHBondContact O-N 2.83Å
143I94.3Very high83.7Confident57 Ų5732.9 Ų32.929%0.29217%0.172SC..  trans-78131.1171.7-61.8172.6000107.5T139 T141T139-I143 HydrophobicContact CG2-CB 4.29Å; T139-I143 PolarHBondContact N-O 2.92Å; T139-I143 PolarHBondContact OG1-N 3.44Å; T141-I143 PolarHBondContact O-N 2.8Å; T141-I143 VanDerWaalsContact O-N 3.16Å; T141-I143 WeakPolarHBondContact OG1-CD1 3.47Å; T141-I143 WeakPolarHBondContact OG1-CG1 3.35Å
144I97.4Very high81Confident0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-77.9137.2178.9-66.3-73.9000110.2N63 W110 Q113 I114 I136 F137 L138N63-I144 VanDerWaalsContact CA-O 3.3Å; N63-I144 WeakPolarHBondContact CA-O 3.43Å; N63-I144 WeakPolarHBondContact CB-O 3.31Å; N63-I144 PolarHBondContact ND2-O 2.79Å; W110-I144 HydrophobicContact CB-CD1 4.05Å; W110-I144 HydrophobicContact CB-CG1 3.85Å; W110-I144 HydrophobicContact CD2-CD1 4.13Å; W110-I144 HydrophobicContact CG-CD1 3.77Å; W110-I144 HydrophobicContact CG-CG1 3.72Å; Q113-I144 HydrophobicContact CB-CB 3.83Å; Q113-I144 HydrophobicContact CB-CG1 4.37Å; Q113-I144 HydrophobicContact CB-CG2 4.37Å; I114-I144 HydrophobicContact CG1-CG2 3.8Å; I136-I144 HydrophobicContact CG2-CD1 4.08Å; I136-I144 HydrophobicContact CG2-CG2 3.6Å; F137-I144 CarbonylContact O-C 3.59Å; F137-I144 WeakPolarHBondContact O-CA 3.18Å; L138-I144 HydrophobicContact CD2-CD1 4.4Å; L138-I144 HydrophobicContact CG-CD1 4.03Å
145K96.8Very high78.3Confident32 Ų3236.3 Ų36.314%0.13920%0.195CC..EExtended strand (participates in β ladder)trans-130114.5168.4-75.9-175.5163.4-61.30110.4P62 N63 I64 V65 T66 F137 T139P62-K145 PolarHBondContact O-NZ 3.33Å; N63-K145 WeakPolarHBondContact O-CA 3.3Å; I64-K145 PolarHBondContact O-NZ 2.98Å; V65-K145 HydrophobicContact CG2-CB 3.87Å; T66-K145 PolarHBondContact OG1-NZ 3.32Å; F137-K145 PolarHBondContact N-O 2.96Å; F137-K145 PolarHBondContact O-N 2.82Å; T139-K145 HydrophobicContact CG2-CD 4.08Å; T139-K145 HydrophobicContact CG2-CG 4.45Å
146V95.4Very high75.8Confident2 Ų239.9 Ų39.91%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-72.4126.4170.6-1800000108.8N63 I64 V65 I114 A117 H128 L131N63-V146 PolarHBondContact O-N 3.09Å; I64-V146 CarbonylContact C-O 3.59Å; I64-V146 WeakPolarHBondContact CA-O 3.18Å; V65-V146 PolarHBondContact N-O 3.49Å; I114-V146 HydrophobicContact CB-CG2 4.44Å; I114-V146 HydrophobicContact CG2-CG2 4.02Å; A117-V146 HydrophobicContact CB-CB 4.08Å; A117-V146 HydrophobicContact CB-CG2 3.72Å; H128-V146 VanDerWaalsContact CD2-CG1 3.42Å; H128-V146 WeakPolarHBondContact CD2-CG1 3.31Å; H128-V146 WeakPolarHBondContact NE2-CG1 3.34Å; L131-V146 HydrophobicContact CD1-CG1 4.24Å
147G89.7Confident73.2Confident3 Ų347 Ų473%0.03125%0.249CC..  trans-132.4-174.2179.400000111.7H128 N135 L149H128-G147 PolarHBondContact CE1-O 2.84Å; H128-G147 PolarHBondContact NE2-O 2.77Å; N135-G147 PolarHBondContact O-N 2.86Å; G147-L149 VanDerWaalsContact C-N 3.29Å; G147-L149 PolarHBondContact O-N 2.83Å
148D76.9Confident70.6Confident44 Ų4452.1 Ų52.124%0.23527%0.274CS..  trans45.353.9-178.1-72-67.2000113K34 H128 N135 G150K34-D148 IonicContact NZ-OD1 3.15Å; K34-D148 PolarHBondContact NZ-OD1 3.49Å; H128-D148 PolarHBondContact CE1-O 3.28Å; N135-D148 HydrophobicContact CB-CB 4.15Å; N135-D148 WeakPolarHBondContact ND2-CB 3.43Å; N135-D148 PolarHBondContact ND2-O 3.21Å; D148-G150 PolarHBondContact O-N 3.28Å
149L66.9Low67.9Low11 Ų1156.3 Ų56.36%0.05830%0.296CS..  trans-55.4123.5166.2-71.9157000108.8L56 L59 I64 L121 H128 G147 I151L56-L149 HydrophobicContact CD2-CB 4.28Å; L56-L149 HydrophobicContact CD2-CD1 3.62Å; L59-L149 HydrophobicContact CD1-CD1 3.41Å; L59-L149 VanDerWaalsContact CD1-CD1 3.41Å; I64-L149 HydrophobicContact CG2-CD1 4.42Å; L121-L149 HydrophobicContact CD1-CD2 3.55Å; L121-L149 HydrophobicContact CD2-CD1 4.35Å; L121-L149 HydrophobicContact CD2-CD2 3.72Å; L121-L149 HydrophobicContact CG-CD2 4.3Å; H128-L149 VanDerWaalsContact CD2-CD2 3.45Å; H128-L149 WeakPolarHBondContact CD2-CD2 3.32Å; G147-L149 VanDerWaalsContact C-N 3.29Å; G147-L149 PolarHBondContact O-N 2.83Å; L149-I151 HydrophobicContact CB-CD1 3.7Å; L149-I151 HydrophobicContact CB-CG1 4.02Å; L149-I151 HydrophobicContact CD1-CD1 4.25Å; L149-I151 PolarHBondContact O-N 2.79Å
150G59.4Low65.5Low7 Ų757.3 Ų57.37%0.07230%0.301CS..  trans-77.546.3-176.600000113.7H128 D148 R153H128-G150 WeakPolarHBondContact O-CA 3.43Å; H128-G150 PolarHBondContact O-N 3.4Å; D148-G150 PolarHBondContact O-N 3.28Å; G150-R153 VanDerWaalsContact O-CB 3.3Å; G150-R153 WeakPolarHBondContact O-CB 3.43Å; G150-R153 WeakPolarHBondContact O-CG 3.43Å; G150-R153 PolarHBondContact O-N 2.97Å
151I51.8Low63.3Low19 Ų1955 Ų5510%0.09729%0.293CS..G310 helixtrans-71.4-35.7-175.5-63.8155.3000110.5E52 L55 L56 L149 R153 V154E52-I151 HydrophobicContact CB-CB 4.24Å; E52-I151 HydrophobicContact CB-CG2 3.8Å; E52-I151 HydrophobicContact CG-CB 3.87Å; E52-I151 HydrophobicContact CG-CG2 3.98Å; E52-I151 WeakPolarHBondContact OE1-CB 3.34Å; E52-I151 PolarHBondContact OE1-N 2.92Å; L55-I151 HydrophobicContact CD2-CD1 3.91Å; L55-I151 HydrophobicContact CD2-CG1 4.14Å; L55-I151 HydrophobicContact CD2-CG2 3.91Å; L55-I151 HydrophobicContact CG-CD1 4.23Å; L56-I151 HydrophobicContact CD2-CD1 3.87Å; L56-I151 HydrophobicContact CG-CD1 4.18Å; L149-I151 HydrophobicContact CB-CD1 3.7Å; L149-I151 HydrophobicContact CB-CG1 4.02Å; L149-I151 HydrophobicContact CD1-CD1 4.25Å; L149-I151 PolarHBondContact O-N 2.79Å; I151-R153 PolarHBondContact O-N 3.16Å; I151-V154 WeakPolarHBondContact O-CB 3.33Å; I151-V154 WeakPolarHBondContact O-CG2 3.42Å; I151-V154 PolarHBondContact O-N 2.88Å
152A46.3Very low60.7Low44 Ų4453.7 Ų53.736%0.36429%0.29SS..G310 helixtrans-47.6-34.2170.300000113.3E52 V154E52-A152 VanDerWaalsContact CD-N 3.34Å; E52-A152 PolarHBondContact OE1-N 2.88Å; E52-A152 WeakPolarHBondContact OE2-CB 3.4Å; A152-V154 PolarHBondContact O-N 3.14Å; A152-V154 VanDerWaalsContact O-N 3.09Å
153R52Low58.3Low35 Ų3552.5 Ų52.513%0.13229%0.288CS..G310 helixtrans-70.6-2.8-175.7-47.3-171.771.8158.98113.4R129 G150 I151 L155 D160 S163R129-R153 PolarHBondContact NH1-O 2.98Å; G150-R153 VanDerWaalsContact O-CB 3.3Å; G150-R153 WeakPolarHBondContact O-CB 3.43Å; G150-R153 WeakPolarHBondContact O-CG 3.43Å; G150-R153 PolarHBondContact O-N 2.97Å; I151-R153 PolarHBondContact O-N 3.16Å; R153-L155 VanDerWaalsContact C-N 3.27Å; R153-L155 PolarHBondContact O-N 2.92Å; R153-D160 IonicContact CZ-OD1 3.14Å; R153-D160 IonicContact CZ-OD2 3.73Å; R153-D160 VanDerWaalsContact NE-CG 3.26Å; R153-D160 IonicContact NE-OD1 2.66Å; R153-D160 PolarHBondContact NE-OD1 3.17Å; R153-D160 IonicContact NE-OD2 2.66Å; R153-D160 PolarHBondContact NE-OD2 3.46Å; R153-D160 VanDerWaalsContact NE-OD2 3.14Å; R153-D160 PolarHBondContact NH2-O 2.91Å; R153-D160 IonicContact NH2-OD1 3.03Å; R153-D160 PolarHBondContact NH2-OD1 2.96Å; R153-D160 IonicContact NH2-OD2 2.83Å; R153-S163 PolarHBondContact NH2-OG 3.22Å
154V38.4Very low56Low84 Ų8451.3 Ų51.351%0.50928%0.283SS..G310 helixtrans-70.1-19.6177173.80000112.7I151 A152I151-V154 WeakPolarHBondContact O-CB 3.33Å; I151-V154 WeakPolarHBondContact O-CG2 3.42Å; I151-V154 PolarHBondContact O-N 2.88Å; A152-V154 PolarHBondContact O-N 3.14Å; A152-V154 VanDerWaalsContact O-N 3.09Å
155L34.9Very low53.2Low42 Ų4257 Ų5722%0.2231%0.313CS..G310 helixtrans-75.4-29.9179.7-86.2-169000115.7R44 E45 A48 R153R44-L155 HydrophobicContact CG-CD1 4.18Å; R44-L155 HydrophobicContact CG-CD2 3.96Å; R44-L155 PolarHBondContact NH2-O 3.08Å; E45-L155 HydrophobicContact CB-CD1 4.42Å; E45-L155 HydrophobicContact CG-CD1 4.22Å; A48-L155 HydrophobicContact CB-CD1 3.35Å; A48-L155 HydrophobicContact CB-CD2 3.85Å; A48-L155 HydrophobicContact CB-CG 3.37Å; R153-L155 VanDerWaalsContact C-N 3.27Å; R153-L155 PolarHBondContact O-N 2.92Å
156E41.6Very low50.6Low88 Ų8863.4 Ų63.441%0.41135%0.347SS..  trans-112.574.3-163-71.7-159122.500112.3Q158 N159E156-Q158 PolarHBondContact O-N 3.16Å; E156-N159 HydrophobicContact CB-CB 3.97Å; E156-N159 HydrophobicContact CG-CB 4.17Å; E156-N159 VanDerWaalsContact OE1-CB 3.25Å; E156-N159 WeakPolarHBondContact OE1-CB 3.22Å; E156-N159 PolarHBondContact OE1-ND2 2.72Å; E156-N159 WeakPolarHBondContact OE2-CB 3.23Å
157N41.2Very low48.5Very low149 Ų14965.6 Ų65.680%0.79737%0.37SS*.THydrogen-bonded Turntrans-59.11.3176.2-74.9-17.7000115.5
158Q41.6Very low47Very low148 Ų14867.4 Ų67.469%0.69238%0.381SS*.THydrogen-bonded Turntrans-140.2-33.4-177.4-65.5-176.8-13.600113.7E156E156-Q158 PolarHBondContact O-N 3.16Å
159N39.3Very low47Very low90 Ų9066.2 Ų66.248%0.48138%0.375SS..G310 helixtrans-84.1-6.1-177.5-94.5-2.2000114.9E156 M161 A162E156-N159 HydrophobicContact CB-CB 3.97Å; E156-N159 HydrophobicContact CG-CB 4.17Å; E156-N159 VanDerWaalsContact OE1-CB 3.25Å; E156-N159 WeakPolarHBondContact OE1-CB 3.22Å; E156-N159 PolarHBondContact OE1-ND2 2.72Å; E156-N159 WeakPolarHBondContact OE2-CB 3.23Å; N159-M161 PolarHBondContact O-N 2.93Å; N159-A162 WeakPolarHBondContact O-CB 3.45Å; N159-A162 PolarHBondContact O-N 3.09Å
160D43.6Very low48.1Very low40 Ų4068.4 Ų68.421%0.21438%0.383CS..G310 helixtrans-65.3-16.3-173.1-132.517.9000114.1R153 S163 T164R153-D160 IonicContact CZ-OD1 3.14Å; R153-D160 IonicContact CZ-OD2 3.73Å; R153-D160 VanDerWaalsContact NE-CG 3.26Å; R153-D160 IonicContact NE-OD1 2.66Å; R153-D160 PolarHBondContact NE-OD1 3.17Å; R153-D160 IonicContact NE-OD2 2.66Å; R153-D160 PolarHBondContact NE-OD2 3.46Å; R153-D160 VanDerWaalsContact NE-OD2 3.14Å; R153-D160 PolarHBondContact NH2-O 2.91Å; R153-D160 IonicContact NH2-OD1 3.03Å; R153-D160 PolarHBondContact NH2-OD1 2.96Å; R153-D160 IonicContact NH2-OD2 2.83Å; D160-S163 PolarHBondContact O-OG 2.93Å; D160-T164 PolarHBondContact O-OG1 2.8Å
161M43.9Very low49.6Very low107 Ų10769.5 Ų69.553%0.52739%0.385SS..G310 helixtrans-74.4-35.2168.2-73.5-98.7-76.700113N159 T164N159-M161 PolarHBondContact O-N 2.93Å; M161-T164 PolarHBondContact O-N 2.72Å; M161-T164 PolarHBondContact O-OG1 3.42Å
162A34.7Very low51.4Low48 Ų4869.8 Ų69.840%0.39739%0.387SS..G310 helixtrans-73.1-40.2-173.100000112.2N159 T164 L165N159-A162 WeakPolarHBondContact O-CB 3.45Å; N159-A162 PolarHBondContact O-N 3.09Å; A162-T164 PolarHBondContact O-N 3.34Å; A162-T164 VanDerWaalsContact O-N 3.13Å; A162-L165 HydrophobicContact CB-CD1 4.3Å; A162-L165 VanDerWaalsContact O-CB 3.32Å; A162-L165 WeakPolarHBondContact O-CB 3.4Å; A162-L165 WeakPolarHBondContact O-CD1 3.28Å; A162-L165 WeakPolarHBondContact O-CG 3.27Å; A162-L165 PolarHBondContact O-N 3.47Å
163S39.3Very low53.5Low52 Ų5267.8 Ų67.836%0.36437%0.37SS..G310 helixtrans-63.5-17.517558.30000113.4R153 D160R153-S163 PolarHBondContact NH2-OG 3.22Å; D160-S163 PolarHBondContact O-OG 2.93Å
164T44.9Very low55.2Low32 Ų3266.7 Ų66.720%0.19637%0.368CS..G310 helixtrans-93.95.6173.943.30000115.3D160 M161 A162 I166 M172D160-T164 PolarHBondContact O-OG1 2.8Å; M161-T164 PolarHBondContact O-N 2.72Å; M161-T164 PolarHBondContact O-OG1 3.42Å; A162-T164 PolarHBondContact O-N 3.34Å; A162-T164 VanDerWaalsContact O-N 3.13Å; T164-I166 PolarHBondContact O-N 3.19Å; T164-M172 HydrophobicContact CG2-CE 3.8Å; T164-M172 WeakPolarHBondContact OG1-CE 3.24Å
165L38.2Very low57.4Low120 Ų12063 Ų6363%0.62834%0.344SS*.  trans-64.9-17.7176.4-73.7167.4000113.9A162 G167A162-L165 HydrophobicContact CB-CD1 4.3Å; A162-L165 VanDerWaalsContact O-CB 3.32Å; A162-L165 WeakPolarHBondContact O-CB 3.4Å; A162-L165 WeakPolarHBondContact O-CD1 3.28Å; A162-L165 WeakPolarHBondContact O-CG 3.27Å; A162-L165 PolarHBondContact O-N 3.47Å; L165-G167 VanDerWaalsContact C-N 3.3Å; L165-G167 PolarHBondContact O-N 3.04Å; L165-G167 VanDerWaalsContact O-N 3.1Å
166I42.1Very low59.7Low167 Ų16762.6 Ų62.686%0.85634%0.343SS*.SBendtrans-87.566.3177.5-47.1-178.4000110.4T164T164-I166 PolarHBondContact O-N 3.19Å
167G52.5Low61.4Low48 Ų4860.6 Ų60.650%0.49533%0.333SS..SBendtrans138.3-168.1168.200000115.8L165L165-G167 VanDerWaalsContact C-N 3.3Å; L165-G167 PolarHBondContact O-N 3.04Å; L165-G167 VanDerWaalsContact O-N 3.1Å
168T56.6Low62.9Low40 Ų4057 Ų5725%0.24532%0.319CS..  trans-106109.7178.4-50.70000108.8Y170 L213T168-Y170 HydrophobicContact CG2-CD1 4.01Å; T168-Y170 HydrophobicContact CG2-CE1 3.44Å; T168-Y170 VanDerWaalsContact CG2-CE1 3.44Å; T168-Y170 VanDerWaalsContact O-CD2 3.23Å; T168-Y170 WeakPolarHBondContact O-CD2 3.44Å; T168-Y170 WeakPolarHBondContact O-CE2 3.47Å; T168-Y170 PolarHBondContact O-N 3.3Å; T168-L213 HydrophobicContact CG2-CB 4.33Å; T168-L213 HydrophobicContact CG2-CD1 4.25Å; T168-L213 HydrophobicContact CG2-CD2 3.84Å; T168-L213 HydrophobicContact CG2-CG 4.35Å
169P78.7Confident64.1Low20 Ų2056 Ų5613%0.1332%0.319CS..  trans-86.875.7-163.234.1-38000113.1Y171 M172 M210 L213P169-Y171 PolarHBondContact O-N 2.93Å; P169-M172 HydrophobicContact CB-CE 3.78Å; P169-M172 HydrophobicContact CB-CG 3.89Å; P169-M172 HydrophobicContact CB-SD 3.68Å; P169-M172 HydrophobicContact CG-CE 3.87Å; P169-M172 HydrophobicContact CG-CG 4.17Å; P169-M172 HydrophobicContact CG-SD 3.41Å; P169-M172 WeakPolarHBondContact CG-SD 3.42Å; P169-M172 PolarHBondContact O-N 3.14Å; P169-M172 VanDerWaalsContact O-N 3.11Å; P169-M210 VanDerWaalsContact CD-SD 3.56Å; P169-M210 HydrophobicContact CG-CE 3.83Å; P169-M210 HydrophobicContact CG-SD 3.72Å; P169-L213 HydrophobicContact CG-CD2 4.11Å
170Y89.3Confident65.8Low56 Ų5657.2 Ų57.222%0.2232%0.32CS..THydrogen-bonded Turntrans-58.3-10.1-171.3-52.7-63.6000117.6T168 C193 H203 F205 N206 L213T168-Y170 HydrophobicContact CG2-CD1 4.01Å; T168-Y170 HydrophobicContact CG2-CE1 3.44Å; T168-Y170 VanDerWaalsContact CG2-CE1 3.44Å; T168-Y170 VanDerWaalsContact O-CD2 3.23Å; T168-Y170 WeakPolarHBondContact O-CD2 3.44Å; T168-Y170 WeakPolarHBondContact O-CE2 3.47Å; T168-Y170 PolarHBondContact O-N 3.3Å; Y170-C193 PolarHBondContact O-SG 2.81Å; Y170-H203 HydrophobicContact CD1-CB 4.15Å; Y170-H203 AromaticContact CD1-CD2 3.95Å; Y170-H203 AromaticContact CD2-CD2 3.27Å; Y170-H203 WeakPolarHBondContact CD2-CD2 3.42Å; Y170-H203 AromaticContact CD2-CE1 3.9Å; Y170-H203 AromaticContact CD2-CG 3.72Å; Y170-H203 AromaticContact CD2-NE2 3.44Å; Y170-H203 WeakPolarHBondContact CD2-NE2 3.43Å; Y170-H203 AromaticContact CE2-CD2 3.41Å; Y170-H203 VanDerWaalsContact CE2-CD2 3.41Å; Y170-H203 WeakPolarHBondContact CE2-CD2 3.1Å; Y170-H203 AromaticContact CE2-NE2 3.52Å; Y170-H203 HydrophobicContact CG-CB 3.97Å; Y170-H203 AromaticContact CG-CD2 3.56Å; Y170-H203 AromaticContact CG-CG 3.65Å; Y170-H203 AromaticContact CZ-CD2 3.8Å; Y170-F205 VanDerWaalsContact CD1-O 3.26Å; Y170-F205 WeakPolarHBondContact CD1-O 3.41Å; Y170-N206 HydrophobicContact CE1-CB 4.33Å; Y170-N206 WeakPolarHBondContact CE1-OD1 3.23Å; Y170-L213 HydrophobicContact CD1-CD1 4.1Å
171Y91.4Very high67.4Low30 Ų3060.4 Ų60.412%0.11834%0.343CS..THydrogen-bonded Turntrans-107.8-4.8-178.4-46.1-89.1000113.5K132 T133 Q134 P169 C193 E197K132-Y171 HydrophobicContact CB-CD1 4.09Å; K132-Y171 HydrophobicContact CB-CD2 3.56Å; K132-Y171 HydrophobicContact CB-CE1 4.08Å; K132-Y171 HydrophobicContact CB-CE2 3.54Å; K132-Y171 HydrophobicContact CB-CG 3.86Å; T133-Y171 PolarHBondContact OG1-OH 3.28Å; Q134-Y171 PolarHBondContact NE2-OH 3.42Å; P169-Y171 PolarHBondContact O-N 2.93Å; Y171-C193 HydrophobicContact CD1-CB 3.79Å; Y171-C193 HydrophobicContact CE1-CB 4.44Å; Y171-E197 PolarHBondContact OH-OE2 3.35Å
172M87.9Confident69.2Low26 Ų2657.5 Ų57.513%0.12833%0.326CS..  trans-64143.2176.4-81.6-178.4-178.800111.8T164 P169 L176 F177 W189T164-M172 HydrophobicContact CG2-CE 3.8Å; T164-M172 WeakPolarHBondContact OG1-CE 3.24Å; P169-M172 HydrophobicContact CB-CE 3.78Å; P169-M172 HydrophobicContact CB-CG 3.89Å; P169-M172 HydrophobicContact CB-SD 3.68Å; P169-M172 HydrophobicContact CG-CE 3.87Å; P169-M172 HydrophobicContact CG-CG 4.17Å; P169-M172 HydrophobicContact CG-SD 3.41Å; P169-M172 WeakPolarHBondContact CG-SD 3.42Å; P169-M172 PolarHBondContact O-N 3.14Å; P169-M172 VanDerWaalsContact O-N 3.11Å; M172-L176 HydrophobicContact CB-CD1 4.24Å; M172-L176 HydrophobicContact CG-CD1 4.04Å; M172-F177 HydrophobicContact CB-CE1 4.44Å; M172-F177 HydrophobicContact CB-CE2 3.81Å; M172-F177 HydrophobicContact CB-CZ 3.51Å; M172-F177 HydrophobicContact CG-CZ 4.2Å; M172-F177 HydrophobicContact SD-CE1 3.61Å; M172-F177 HydrophobicContact SD-CZ 3.58Å; M172-F177 VanDerWaalsContact SD-CZ 3.58Å; M172-W189 PolarHBondContact O-NE1 2.84Å
173S90.4Very high71.7Confident2 Ų257.2 Ų57.21%0.01432%0.318CS..  trans-96.9154.1179.958.20000112.7E175 L176S173-E175 VanDerWaalsContact CB-CD 3.42Å; S173-E175 WeakPolarHBondContact CB-OE1 3.42Å; S173-E175 WeakPolarHBondContact CB-OE2 3.49Å; S173-E175 PolarHBondContact O-N 3.44Å; S173-E175 VanDerWaalsContact O-N 3.09Å; S173-E175 PolarHBondContact OG-OE1 3.36Å; S173-E175 PolarHBondContact OG-OE2 3.47Å; S173-L176 PolarHBondContact O-N 2.92Å; S173-L176 VanDerWaalsContact O-N 3.09Å
174P88.9Confident74.2Confident12 Ų1258.7 Ų58.78%0.07832%0.319CS..THydrogen-bonded Turntrans-52.4-34-174.9-2629.9000115.1L176 F177 S178 W189 I217P174-L176 VanDerWaalsContact C-N 3.31Å; P174-L176 PolarHBondContact O-N 3.37Å; P174-F177 PolarHBondContact O-N 3.07Å; P174-S178 PolarHBondContact O-OG 2.72Å; P174-W189 HydrophobicContact CG-CE3 4.22Å; P174-W189 HydrophobicContact CG-CH2 3.67Å; P174-W189 HydrophobicContact CG-CZ2 4.14Å; P174-W189 HydrophobicContact CG-CZ3 3.7Å; P174-I217 HydrophobicContact CB-CG2 4.14Å; P174-I217 HydrophobicContact CG-CG2 3.65Å
175E85Confident76.6Confident5 Ų558.3 Ų58.32%0.02331%0.314CS..THydrogen-bonded Turntrans-67.1-27.7-177.764.1-87.9-164.400113.4S173 S178 N179 K180 S186 P245 R248S173-E175 VanDerWaalsContact CB-CD 3.42Å; S173-E175 WeakPolarHBondContact CB-OE1 3.42Å; S173-E175 WeakPolarHBondContact CB-OE2 3.49Å; S173-E175 PolarHBondContact O-N 3.44Å; S173-E175 VanDerWaalsContact O-N 3.09Å; S173-E175 PolarHBondContact OG-OE1 3.36Å; S173-E175 PolarHBondContact OG-OE2 3.47Å; E175-S178 CarbonylContact O-C 3.56Å; E175-S178 WeakPolarHBondContact O-CA 3.44Å; E175-S178 WeakPolarHBondContact O-CB 3.43Å; E175-S178 PolarHBondContact O-N 2.93Å; E175-N179 PolarHBondContact O-N 3.41Å; E175-K180 HydrophobicContact CB-CB 3.93Å; E175-K180 HydrophobicContact CB-CD 4.2Å; E175-K180 WeakPolarHBondContact O-CB 3.31Å; E175-K180 PolarHBondContact O-N 2.78Å; E175-S186 WeakPolarHBondContact OE1-CA 3.47Å; E175-S186 VanDerWaalsContact OE1-CB 3.28Å; E175-S186 WeakPolarHBondContact OE1-CB 3.37Å; E175-S186 PolarHBondContact OE1-OG 3.38Å; E175-P245 HydrophobicContact CB-CG 4.08Å; E175-P245 HydrophobicContact CG-CG 4.1Å; E175-R248 IonicContact OE1-CZ 3.94Å; E175-R248 IonicContact OE1-NH1 2.8Å; E175-R248 PolarHBondContact OE1-NH1 3.32Å; E175-R248 IonicContact OE1-NH2 3.87Å; E175-R248 IonicContact OE2-CZ 2.74Å; E175-R248 IonicContact OE2-NH1 3.78Å; E175-R248 PolarHBondContact OE2-NH1 3.32Å; E175-R248 IonicContact OE2-NH2 3.66Å; E175-R248 PolarHBondContact OE2-NH2 3.1Å
176L82.1Confident79.2Confident35 Ų3552.6 Ų52.618%0.18328%0.284CS..G310 helixtrans-68.8-40.3178.3-58.3176.6000111.5M172 S173 P174 S178 N179 Y182M172-L176 HydrophobicContact CB-CD1 4.24Å; M172-L176 HydrophobicContact CG-CD1 4.04Å; S173-L176 PolarHBondContact O-N 2.92Å; S173-L176 VanDerWaalsContact O-N 3.09Å; P174-L176 VanDerWaalsContact C-N 3.31Å; P174-L176 PolarHBondContact O-N 3.37Å; L176-S178 PolarHBondContact O-N 2.76Å; L176-S178 VanDerWaalsContact O-N 3.15Å; L176-N179 PolarHBondContact O-N 3.24Å; L176-Y182 HydrophobicContact CD1-CD2 3.94Å; L176-Y182 HydrophobicContact CD1-CE2 4.06Å; L176-Y182 HydrophobicContact CD2-CD2 3.68Å; L176-Y182 HydrophobicContact CD2-CG 4.29Å; L176-Y182 HydrophobicContact CG-CD2 4.38Å
177F77.8Confident81.7Confident46 Ų4644.6 Ų44.620%0.20224%0.244CC..G310 helixtrans-71-2.5171.8-50-66.2000113.6M172 P174 M210 V214 I217M172-F177 HydrophobicContact CB-CE1 4.44Å; M172-F177 HydrophobicContact CB-CE2 3.81Å; M172-F177 HydrophobicContact CB-CZ 3.51Å; M172-F177 HydrophobicContact CG-CZ 4.2Å; M172-F177 HydrophobicContact SD-CE1 3.61Å; M172-F177 HydrophobicContact SD-CZ 3.58Å; M172-F177 VanDerWaalsContact SD-CZ 3.58Å; P174-F177 PolarHBondContact O-N 3.07Å; F177-M210 HydrophobicContact CE1-SD 4.41Å; F177-V214 HydrophobicContact CB-CG1 4.12Å; F177-V214 HydrophobicContact CB-CG2 4.45Å; F177-V214 HydrophobicContact CD1-CG2 3.43Å; F177-V214 VanDerWaalsContact CD1-CG2 3.43Å; F177-V214 HydrophobicContact CD2-CG1 4.47Å; F177-V214 HydrophobicContact CD2-CG2 4.12Å; F177-V214 HydrophobicContact CE1-CG2 3.52Å; F177-V214 HydrophobicContact CE2-CG2 4.21Å; F177-V214 HydrophobicContact CG-CG1 4.15Å; F177-V214 HydrophobicContact CG-CG2 3.74Å; F177-V214 HydrophobicContact CZ-CG2 3.91Å; F177-I217 HydrophobicContact CD2-CG2 4.41Å; F177-I217 HydrophobicContact CE2-CD1 3.72Å; F177-I217 HydrophobicContact CE2-CG2 4.23Å; F177-I217 HydrophobicContact CZ-CD1 4.19Å
178S72.2Confident83.9Confident74 Ų7442.3 Ų42.352%0.51722%0.22SC..G310 helixtrans-110.413.4178.4-49.80000112.5P174 E175 L176 K180P174-S178 PolarHBondContact O-OG 2.72Å; E175-S178 CarbonylContact O-C 3.56Å; E175-S178 WeakPolarHBondContact O-CA 3.44Å; E175-S178 WeakPolarHBondContact O-CB 3.43Å; E175-S178 PolarHBondContact O-N 2.93Å; L176-S178 PolarHBondContact O-N 2.76Å; L176-S178 VanDerWaalsContact O-N 3.15Å; S178-K180 PolarHBondContact O-N 3.49Å; S178-K180 VanDerWaalsContact O-N 3.12Å
179N67.4Low85.8Confident127 Ų12740.4 Ų40.468%0.67921%0.208SC*.THydrogen-bonded Turntrans51.727.7-173.2-65.2-8.7000114.3E175 L176E175-N179 PolarHBondContact O-N 3.41Å; L176-N179 PolarHBondContact O-N 3.24Å
180K74.7Confident86.7Confident115 Ų11539.5 Ų39.550%0.520%0.203SC..PPolyproline II helixtrans-90.3149.2173.9-71.8-175.5173.7-167.30110.6E175 S178E175-K180 HydrophobicContact CB-CB 3.93Å; E175-K180 HydrophobicContact CB-CD 4.2Å; E175-K180 WeakPolarHBondContact O-CB 3.31Å; E175-K180 PolarHBondContact O-N 2.78Å; S178-K180 PolarHBondContact O-N 3.49Å; S178-K180 VanDerWaalsContact O-N 3.12Å
181P76.4Confident87.1Confident107 Ų10736.9 Ų36.970%0.69519%0.192SC*.PPolyproline II helixtrans-66.7138.8-177.226.4-34.8000113.3N183P181-N183 PolarHBondContact O-ND2 3.39Å; P181-N183 VanDerWaalsContact O-ND2 3.11Å
182Y83.3Confident87.4Confident46 Ų4635.4 Ų35.418%0.1819%0.187CC..PPolyproline II helixtrans-59.2133.7171.5-161.5-69.4000110.3L127 R129 L176 S186 D187L127-Y182 HydrophobicContact CD1-CD1 4.27Å; R129-Y182 HydrophobicContact CG-CD1 4.12Å; R129-Y182 HydrophobicContact CG-CE1 4.23Å; R129-Y182 HydrophobicContact CG-CG 4.47Å; L176-Y182 HydrophobicContact CD1-CD2 3.94Å; L176-Y182 HydrophobicContact CD1-CE2 4.06Å; L176-Y182 HydrophobicContact CD2-CD2 3.68Å; L176-Y182 HydrophobicContact CD2-CG 4.29Å; L176-Y182 HydrophobicContact CG-CD2 4.38Å; Y182-S186 VanDerWaalsContact CE1-CB 3.49Å; Y182-D187 WeakPolarHBondContact CE1-OD1 3.44Å; Y182-D187 PolarHBondContact OH-N 3.1Å; Y182-D187 PolarHBondContact OH-OD1 3.25Å; Y182-D187 VanDerWaalsContact OH-OD1 3.08Å
183N86.9Confident87.8Confident42 Ų4234.3 Ų34.323%0.22518%0.181CC..  trans-144.6-178.9-176.263.376.1000112P181 K185 S186 D187P181-N183 PolarHBondContact O-ND2 3.39Å; P181-N183 VanDerWaalsContact O-ND2 3.11Å; N183-K185 PolarHBondContact O-N 3.02Å; N183-K185 WeakPolarHBondContact OD1-CA 3.37Å; N183-K185 VanDerWaalsContact OD1-CB 3.23Å; N183-K185 WeakPolarHBondContact OD1-CB 2.93Å; N183-K185 PolarHBondContact OD1-N 2.94Å; N183-S186 PolarHBondContact N-OG 3.41Å; N183-S186 VanDerWaalsContact N-OG 3.11Å; N183-S186 PolarHBondContact ND2-OG 3.22Å; N183-S186 WeakPolarHBondContact O-CA 3.47Å; N183-S186 WeakPolarHBondContact O-CB 3.34Å; N183-S186 PolarHBondContact O-N 3.44Å; N183-S186 PolarHBondContact O-OG 3.27Å; N183-D187 PolarHBondContact O-N 3.46Å
184H91.6Very high88.2Confident82 Ų8234.2 Ų34.238%0.3818%0.18SC..Hα-helixtrans-61.5-27.9-176.561.3-89.6000113.2H122 L127 S186 D187 V188 D250H122-H184 PolarHBondContact CE1-O 2.72Å; L127-H184 HydrophobicContact CD2-CB 3.96Å; H184-S186 VanDerWaalsContact C-N 3.31Å; H184-D187 PolarHBondContact O-N 2.96Å; H184-V188 WeakPolarHBondContact O-CG2 3.47Å; H184-V188 PolarHBondContact O-N 2.74Å; H184-D250 IonicContact NE2-OD1 2.71Å
185K95.3Very high88.6Confident24 Ų2433.7 Ų33.710%0.10418%0.177CC..Hα-helixtrans-76-19.4174-52.1-66-162.579.60112.4N183 V188 W189 P245 E246 R248 D250N183-K185 PolarHBondContact O-N 3.02Å; N183-K185 WeakPolarHBondContact OD1-CA 3.37Å; N183-K185 VanDerWaalsContact OD1-CB 3.23Å; N183-K185 WeakPolarHBondContact OD1-CB 2.93Å; N183-K185 PolarHBondContact OD1-N 2.94Å; K185-V188 PolarHBondContact O-N 3.07Å; K185-W189 PolarHBondContact O-N 3.5Å; K185-P245 HydrophobicContact CB-CB 3.87Å; K185-P245 WeakPolarHBondContact CB-O 3.08Å; K185-P245 WeakPolarHBondContact CD-O 3.33Å; K185-P245 HydrophobicContact CG-CB 4.33Å; K185-P245 WeakPolarHBondContact CG-O 3.39Å; K185-P245 PolarHBondContact NZ-O 2.99Å; K185-E246 PolarHBondContact NZ-O 3.49Å; K185-R248 HydrophobicContact CD-CB 4.28Å; K185-R248 VanDerWaalsContact CE-O 3.31Å; K185-R248 WeakPolarHBondContact CE-O 3.07Å; K185-R248 PolarHBondContact NZ-O 2.81Å; K185-R248 WeakPolarHBondContact O-CD 3.45Å; K185-R248 PolarHBondContact O-NH1 3.16Å; K185-D250 WeakPolarHBondContact CE-OD1 3.43Å
186S93.6Very high89.2Confident0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-71.9-41171.1-460000110.8E175 Y182 N183 H184 V188 W189 A190E175-S186 WeakPolarHBondContact OE1-CA 3.47Å; E175-S186 VanDerWaalsContact OE1-CB 3.28Å; E175-S186 WeakPolarHBondContact OE1-CB 3.37Å; E175-S186 PolarHBondContact OE1-OG 3.38Å; Y182-S186 VanDerWaalsContact CE1-CB 3.49Å; N183-S186 PolarHBondContact N-OG 3.41Å; N183-S186 VanDerWaalsContact N-OG 3.11Å; N183-S186 PolarHBondContact ND2-OG 3.22Å; N183-S186 WeakPolarHBondContact O-CA 3.47Å; N183-S186 WeakPolarHBondContact O-CB 3.34Å; N183-S186 PolarHBondContact O-N 3.44Å; N183-S186 PolarHBondContact O-OG 3.27Å; H184-S186 VanDerWaalsContact C-N 3.31Å; S186-V188 VanDerWaalsContact C-N 3.31Å; S186-V188 PolarHBondContact O-N 3.24Å; S186-W189 PolarHBondContact O-N 3.46Å; S186-A190 PolarHBondContact O-N 2.89Å; S186-A190 VanDerWaalsContact O-N 3.1Å
187D94.3Very high89.9Confident0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-61.4-38.2169.1-71.6-37.1000111.3L118 H122 L127 H128 R129 Y182 N183 H184 W189 A190 L191L118-D187 HydrophobicContact CD2-CB 4.41Å; H122-D187 IonicContact CD2-OD2 3.51Å; H122-D187 IonicContact CE1-OD2 2.6Å; H122-D187 IonicContact NE2-OD2 2.83Å; H122-D187 PolarHBondContact NE2-OD2 3.34Å; L127-D187 WeakPolarHBondContact CA-OD2 3.23Å; H128-D187 WeakPolarHBondContact CA-OD1 3.49Å; H128-D187 VanDerWaalsContact CB-OD1 3.28Å; H128-D187 WeakPolarHBondContact CB-OD1 3.18Å; H128-D187 PolarHBondContact N-OD1 3.22Å; H128-D187 VanDerWaalsContact N-OD1 3.13Å; H128-D187 PolarHBondContact N-OD2 3.31Å; R129-D187 PolarHBondContact N-OD1 2.77Å; Y182-D187 WeakPolarHBondContact CE1-OD1 3.44Å; Y182-D187 PolarHBondContact OH-N 3.1Å; Y182-D187 PolarHBondContact OH-OD1 3.25Å; Y182-D187 VanDerWaalsContact OH-OD1 3.08Å; N183-D187 PolarHBondContact O-N 3.46Å; H184-D187 PolarHBondContact O-N 2.96Å; D187-W189 PolarHBondContact O-N 3.44Å; D187-A190 PolarHBondContact O-N 2.89Å; D187-L191 WeakPolarHBondContact O-CB 3.17Å; D187-L191 PolarHBondContact O-N 3.32Å
188V97.9Very high90.8Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-63.6-37.7175.3171.10000112.3H184 K185 S186 L191 G192 M240 R248 V251 I254H184-V188 WeakPolarHBondContact O-CG2 3.47Å; H184-V188 PolarHBondContact O-N 2.74Å; K185-V188 PolarHBondContact O-N 3.07Å; S186-V188 VanDerWaalsContact C-N 3.31Å; S186-V188 PolarHBondContact O-N 3.24Å; V188-L191 WeakPolarHBondContact O-CB 3.44Å; V188-L191 PolarHBondContact O-N 3.4Å; V188-G192 PolarHBondContact O-N 2.84Å; V188-M240 HydrophobicContact CG1-CB 4.02Å; V188-M240 HydrophobicContact CG1-CG 3.86Å; V188-R248 HydrophobicContact CG1-CB 4.15Å; V188-V251 HydrophobicContact CG2-CG2 3.78Å; V188-I254 HydrophobicContact CG1-CD1 4.11Å
189W97.3Very high92Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-64-46.4173.6172.4-80.2000111.3M172 P174 K185 S186 D187 L191 G192 C193 F205 I217 L241M172-W189 PolarHBondContact O-NE1 2.84Å; P174-W189 HydrophobicContact CG-CE3 4.22Å; P174-W189 HydrophobicContact CG-CH2 3.67Å; P174-W189 HydrophobicContact CG-CZ2 4.14Å; P174-W189 HydrophobicContact CG-CZ3 3.7Å; K185-W189 PolarHBondContact O-N 3.5Å; S186-W189 PolarHBondContact O-N 3.46Å; D187-W189 PolarHBondContact O-N 3.44Å; W189-L191 VanDerWaalsContact C-N 3.29Å; W189-L191 PolarHBondContact O-N 3.27Å; W189-G192 WeakPolarHBondContact O-CA 3.43Å; W189-G192 PolarHBondContact O-N 3.3Å; W189-C193 PolarHBondContact O-N 3.2Å; W189-F205 AromaticContact CH2-CE2 3.63Å; W189-F205 HydrophobicContact CH2-CE2 3.63Å; W189-F205 AromaticContact CH2-CZ 3.74Å; W189-F205 HydrophobicContact CH2-CZ 3.74Å; W189-F205 AromaticContact CZ2-CD2 3.88Å; W189-F205 HydrophobicContact CZ2-CD2 3.88Å; W189-F205 AromaticContact CZ2-CE2 3.27Å; W189-F205 HydrophobicContact CZ2-CE2 3.27Å; W189-F205 AromaticContact CZ2-CZ 3.88Å; W189-F205 HydrophobicContact CZ2-CZ 3.88Å; W189-I217 HydrophobicContact CH2-CG2 4.13Å; W189-I217 HydrophobicContact CZ2-CG1 4.42Å; W189-I217 HydrophobicContact CZ2-CG2 3.82Å; W189-L241 HydrophobicContact CD2-CD2 3.67Å; W189-L241 HydrophobicContact CE3-CB 4.35Å; W189-L241 HydrophobicContact CE3-CD2 3.9Å; W189-L241 HydrophobicContact CG-CD2 4.06Å; W189-L241 HydrophobicContact CZ2-CD2 4.31Å; W189-L241 HydrophobicContact CZ3-CB 4.2Å; W189-L241 HydrophobicContact CZ3-CD2 4.31Å; W189-L241 VanDerWaalsContact CZ3-O 3.27Å; W189-L241 WeakPolarHBondContact CZ3-O 3.34Å; W189-L241 WeakPolarHBondContact O-CD2 3.2Å
190A96.4Very high93.4Very high1 Ų121.2 Ų21.21%0.00811%0.107CC..Hα-helixtrans-61.9-36.4176.800000112.3L131 S186 D187 C193 C194L131-A190 HydrophobicContact CB-CB 3.98Å; L131-A190 HydrophobicContact CD2-CB 4.09Å; L131-A190 HydrophobicContact CG-CB 4.37Å; S186-A190 PolarHBondContact O-N 2.89Å; S186-A190 VanDerWaalsContact O-N 3.1Å; D187-A190 PolarHBondContact O-N 2.89Å; A190-C193 PolarHBondContact O-N 3.47Å; A190-C194 PolarHBondContact O-N 2.87Å; A190-C194 PolarHBondContact O-SG 2.96Å
191L97.9Very high94.4Very high0 Ų017.8 Ų17.80%09%0.094CC..Hα-helixtrans-60.7-45.1169.6178.364.8000111F111 I114 A115 L118 L131 D187 V188 W189 C193 C194 V195 M240F111-L191 HydrophobicContact CD2-CD1 4.06Å; F111-L191 HydrophobicContact CD2-CG 4.41Å; F111-L191 HydrophobicContact CE2-CD1 4.15Å; F111-L191 HydrophobicContact CE2-CD2 3.91Å; F111-L191 HydrophobicContact CE2-CG 4.01Å; I114-L191 HydrophobicContact CB-CD1 4.05Å; I114-L191 HydrophobicContact CG2-CD1 3.56Å; A115-L191 HydrophobicContact CB-CD2 4.48Å; L118-L191 HydrophobicContact CD1-CB 4.06Å; L118-L191 HydrophobicContact CD1-CD1 3.95Å; L118-L191 HydrophobicContact CD1-CD2 3.87Å; L118-L191 HydrophobicContact CD1-CG 4.18Å; L131-L191 HydrophobicContact CD2-CB 3.98Å; D187-L191 WeakPolarHBondContact O-CB 3.17Å; D187-L191 PolarHBondContact O-N 3.32Å; V188-L191 WeakPolarHBondContact O-CB 3.44Å; V188-L191 PolarHBondContact O-N 3.4Å; W189-L191 VanDerWaalsContact C-N 3.29Å; W189-L191 PolarHBondContact O-N 3.27Å; L191-C193 PolarHBondContact O-N 2.94Å; L191-C194 PolarHBondContact O-N 3.36Å; L191-C194 VanDerWaalsContact O-N 3.16Å; L191-V195 HydrophobicContact CD1-CG2 4.24Å; L191-V195 HydrophobicContact CG-CG2 4.47Å; L191-V195 VanDerWaalsContact O-CG2 3.28Å; L191-V195 WeakPolarHBondContact O-CG2 3.28Å; L191-V195 PolarHBondContact O-N 2.94Å; L191-M240 HydrophobicContact CD2-SD 3.94Å; L191-M240 HydrophobicContact CG-SD 3.99Å
192G97.9Very high95.2Very high0 Ų019.8 Ų19.80%09%0.091CC..Hα-helixtrans-55.5-45.9173.700000113.1V188 W189 V195 Y196V188-G192 PolarHBondContact O-N 2.84Å; W189-G192 WeakPolarHBondContact O-CA 3.43Å; W189-G192 PolarHBondContact O-N 3.3Å; G192-V195 PolarHBondContact O-N 3.46Å; G192-Y196 WeakPolarHBondContact O-CB 3.47Å; G192-Y196 PolarHBondContact O-N 2.69Å
193C97.5Very high95.7Very high2 Ų219.3 Ų19.31%0.0149%0.091CC..Hα-helixtrans-60.7-45.5173.6-76.10000112Y170 Y171 W189 A190 L191 V195 Y196 E197Y170-C193 PolarHBondContact O-SG 2.81Å; Y171-C193 HydrophobicContact CD1-CB 3.79Å; Y171-C193 HydrophobicContact CE1-CB 4.44Å; W189-C193 PolarHBondContact O-N 3.2Å; A190-C193 PolarHBondContact O-N 3.47Å; L191-C193 PolarHBondContact O-N 2.94Å; C193-V195 PolarHBondContact O-N 3.38Å; C193-Y196 PolarHBondContact O-N 3.49Å; C193-E197 WeakPolarHBondContact O-CB 3.22Å; C193-E197 PolarHBondContact O-N 2.94Å
194C97.6Very high96.1Very high0 Ų017.4 Ų17.40%08%0.081CC..Hα-helixtrans-62.4-39.8178.5-66.60000112.8T133 I136 A190 L191 E197 M198T133-C194 HydrophobicContact CG2-CB 4.16Å; I136-C194 HydrophobicContact CD1-CB 4.38Å; A190-C194 PolarHBondContact O-N 2.87Å; A190-C194 PolarHBondContact O-SG 2.96Å; L191-C194 PolarHBondContact O-N 3.36Å; L191-C194 VanDerWaalsContact O-N 3.16Å; C194-E197 PolarHBondContact O-N 2.76Å; C194-M198 WeakPolarHBondContact O-CG 3.39Å; C194-M198 PolarHBondContact O-N 3.08Å
195V97.7Very high96.1Very high1 Ų113.8 Ų13.81%0.0066%0.064CC..Hα-helixtrans-73-37.8179.6-178.70000111.6V107 F111 L191 G192 C193 E197 M198 S199 L233 I237 M240V107-V195 HydrophobicContact CG1-CG1 4.33Å; F111-V195 HydrophobicContact CB-CG2 4.12Å; F111-V195 HydrophobicContact CD2-CB 4.46Å; F111-V195 HydrophobicContact CD2-CG1 4.46Å; F111-V195 HydrophobicContact CD2-CG2 3.18Å; F111-V195 HydrophobicContact CE2-CG2 3.66Å; F111-V195 HydrophobicContact CG-CG1 4.47Å; F111-V195 HydrophobicContact CG-CG2 3.85Å; L191-V195 HydrophobicContact CD1-CG2 4.24Å; L191-V195 HydrophobicContact CG-CG2 4.47Å; L191-V195 VanDerWaalsContact O-CG2 3.28Å; L191-V195 WeakPolarHBondContact O-CG2 3.28Å; L191-V195 PolarHBondContact O-N 2.94Å; G192-V195 PolarHBondContact O-N 3.46Å; C193-V195 PolarHBondContact O-N 3.38Å; V195-E197 VanDerWaalsContact C-N 3.31Å; V195-M198 HydrophobicContact CB-CE 4.26Å; V195-M198 HydrophobicContact CG2-CE 3.88Å; V195-M198 PolarHBondContact O-N 3Å; V195-S199 WeakPolarHBondContact O-CB 3.33Å; V195-S199 PolarHBondContact O-N 2.78Å; V195-S199 PolarHBondContact O-OG 2.87Å; V195-L233 HydrophobicContact CG1-CD1 4.19Å; V195-I237 HydrophobicContact CB-CG1 4.23Å; V195-I237 HydrophobicContact CG1-CD1 3.9Å; V195-I237 HydrophobicContact CG1-CG1 3.74Å; V195-M240 HydrophobicContact CB-CE 4.39Å; V195-M240 HydrophobicContact CG2-CE 4.32Å
196Y97.7Very high95.8Very high9 Ų916.2 Ų16.24%0.0358%0.078CC..Hα-helixtrans-61.2-41.2170.2-179.7-85.6000111.5G192 C193 S199 T200 K202 A204 L222 P223 M225 I237G192-Y196 WeakPolarHBondContact O-CB 3.47Å; G192-Y196 PolarHBondContact O-N 2.69Å; C193-Y196 PolarHBondContact O-N 3.49Å; Y196-S199 PolarHBondContact O-N 2.87Å; Y196-S199 VanDerWaalsContact O-N 3.17Å; Y196-T200 HydrophobicContact CD1-CG2 4.29Å; Y196-T200 WeakPolarHBondContact CD1-OG1 3.5Å; Y196-T200 HydrophobicContact CD2-CG2 4.13Å; Y196-T200 HydrophobicContact CE1-CG2 3.92Å; Y196-T200 WeakPolarHBondContact CE1-OG1 3.29Å; Y196-T200 HydrophobicContact CE2-CG2 3.76Å; Y196-T200 HydrophobicContact CG-CG2 4.39Å; Y196-T200 WeakPolarHBondContact O-CB 3.46Å; Y196-T200 WeakPolarHBondContact O-CG2 3.39Å; Y196-T200 PolarHBondContact O-N 3.32Å; Y196-T200 PolarHBondContact O-OG1 2.91Å; Y196-K202 VanDerWaalsContact CD1-O 3.29Å; Y196-K202 WeakPolarHBondContact CD1-O 3.4Å; Y196-K202 WeakPolarHBondContact CE1-O 3.42Å; Y196-A204 HydrophobicContact CD1-CB 3.7Å; Y196-A204 VanDerWaalsContact CE1-CA 3.43Å; Y196-A204 HydrophobicContact CE1-CB 4.24Å; Y196-A204 HydrophobicContact CG-CB 3.92Å; Y196-L222 HydrophobicContact CD2-CD1 3.7Å; Y196-L222 HydrophobicContact CD2-CD2 3.97Å; Y196-L222 HydrophobicContact CD2-CG 4.01Å; Y196-L222 HydrophobicContact CE2-CD1 3.73Å; Y196-L222 HydrophobicContact CE2-CD2 4.18Å; Y196-L222 HydrophobicContact CE2-CG 3.83Å; Y196-L222 HydrophobicContact CG-CD1 4.24Å; Y196-P223 WeakPolarHBondContact OH-CB 3.3Å; Y196-P223 WeakPolarHBondContact OH-CG 3.41Å; Y196-M225 HydrophobicContact CD2-SD 3.82Å; Y196-M225 HydrophobicContact CE2-SD 4.03Å; Y196-I237 HydrophobicContact CD2-CG2 4.24Å
197E96.8Very high95.5Very high6 Ų617 Ų173%0.0289%0.085CC..Hα-helixtrans-66.9-42.9178.4-169.1176.4131.200112.4L94 T133 Y171 C193 C194 V195 S199 T200 L201 K202 H203L94-E197 HydrophobicContact CD1-CG 3.98Å; T133-E197 WeakPolarHBondContact CB-OE1 3.41Å; T133-E197 HydrophobicContact CG2-CB 4.41Å; T133-E197 HydrophobicContact CG2-CG 4.37Å; T133-E197 VanDerWaalsContact CG2-OE1 3.3Å; T133-E197 WeakPolarHBondContact CG2-OE1 3.47Å; T133-E197 PolarHBondContact OG1-OE1 3.2Å; Y171-E197 PolarHBondContact OH-OE2 3.35Å; C193-E197 WeakPolarHBondContact O-CB 3.22Å; C193-E197 PolarHBondContact O-N 2.94Å; C194-E197 PolarHBondContact O-N 2.76Å; V195-E197 VanDerWaalsContact C-N 3.31Å; E197-S199 PolarHBondContact O-N 3.34Å; E197-T200 PolarHBondContact O-N 2.88Å; E197-L201 VanDerWaalsContact O-CA 3.28Å; E197-L201 WeakPolarHBondContact O-CA 3.36Å; E197-L201 PolarHBondContact O-N 3.03Å; E197-K202 WeakPolarHBondContact CA-O 3.49Å; E197-H203 IonicContact OE1-CE1 3.18Å; E197-H203 IonicContact OE2-CE1 3.66Å; E197-H203 PolarHBondContact OE2-CE1 3.13Å; E197-H203 VanDerWaalsContact OE2-CE1 3.27Å; E197-H203 IonicContact OE2-CG 3.91Å; E197-H203 IonicContact OE2-ND1 2.68Å; E197-H203 PolarHBondContact OE2-ND1 2.93Å
198M97.4Very high94.9Very high0 Ų026.9 Ų26.90%013%0.128CC..Hα-helixtrans-57.7-37.6169.8-72.1-171-67.700112.1L90 L94 L102 V107 W110 F111 I114 C194 V195L90-M198 HydrophobicContact CD1-CG 4.39Å; L90-M198 HydrophobicContact CD1-SD 4.45Å; L90-M198 HydrophobicContact CD2-CG 3.98Å; L90-M198 HydrophobicContact CD2-SD 3.84Å; L94-M198 HydrophobicContact CD1-CG 4.09Å; L94-M198 HydrophobicContact CD2-CB 4.48Å; L94-M198 HydrophobicContact CD2-CG 4.31Å; L102-M198 HydrophobicContact CD1-CB 4.31Å; V107-M198 HydrophobicContact CG1-CB 4.01Å; V107-M198 HydrophobicContact CG2-CB 4.48Å; W110-M198 HydrophobicContact CB-SD 3.75Å; W110-M198 HydrophobicContact CE3-SD 3.89Å; F111-M198 HydrophobicContact CB-CE 4.18Å; I114-M198 HydrophobicContact CD1-CE 3.95Å; I114-M198 HydrophobicContact CD1-SD 4.42Å; C194-M198 WeakPolarHBondContact O-CG 3.39Å; C194-M198 PolarHBondContact O-N 3.08Å; V195-M198 HydrophobicContact CB-CE 4.26Å; V195-M198 HydrophobicContact CG2-CE 3.88Å; V195-M198 PolarHBondContact O-N 3Å
199S97Very high94.2Very high0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-76.3-33.7-177.9-55.10000113.4V195 Y196 E197 Y229V195-S199 WeakPolarHBondContact O-CB 3.33Å; V195-S199 PolarHBondContact O-N 2.78Å; V195-S199 PolarHBondContact O-OG 2.87Å; Y196-S199 PolarHBondContact O-N 2.87Å; Y196-S199 VanDerWaalsContact O-N 3.17Å; E197-S199 PolarHBondContact O-N 3.34Å; S199-Y229 WeakPolarHBondContact O-CE2 3.44Å; S199-Y229 VanDerWaalsContact O-CZ 3.28Å; S199-Y229 PolarHBondContact O-OH 2.99Å
200T96.1Very high93.4Very high11 Ų1133.1 Ų33.17%0.06716%0.16CC..Hα-helixtrans-120.4-7.8-166.867.70000115.1Y196 E197 K202 M225 P226Y196-T200 HydrophobicContact CD1-CG2 4.29Å; Y196-T200 WeakPolarHBondContact CD1-OG1 3.5Å; Y196-T200 HydrophobicContact CD2-CG2 4.13Å; Y196-T200 HydrophobicContact CE1-CG2 3.92Å; Y196-T200 WeakPolarHBondContact CE1-OG1 3.29Å; Y196-T200 HydrophobicContact CE2-CG2 3.76Å; Y196-T200 HydrophobicContact CG-CG2 4.39Å; Y196-T200 WeakPolarHBondContact O-CB 3.46Å; Y196-T200 WeakPolarHBondContact O-CG2 3.39Å; Y196-T200 PolarHBondContact O-N 3.32Å; Y196-T200 PolarHBondContact O-OG1 2.91Å; E197-T200 PolarHBondContact O-N 2.88Å; T200-K202 PolarHBondContact O-N 2.78Å; T200-K202 PolarHBondContact OG1-N 3.06Å; T200-K202 PolarHBondContact OG1-O 3.28Å; T200-K202 VanDerWaalsContact OG1-O 3.09Å; T200-M225 HydrophobicContact CG2-SD 4.23Å; T200-P226 HydrophobicContact CG2-CG 4.28Å
201L95.4Very high92.7Very high43 Ų4337.5 Ų37.523%0.22518%0.183CC..SBendtrans5724.9-170.7-50178.7000113.5L94 Q97 L101 E197L94-L201 HydrophobicContact CB-CD2 4.08Å; L94-L201 HydrophobicContact CD2-CD2 3.87Å; Q97-L201 HydrophobicContact CB-CD1 3.84Å; Q97-L201 HydrophobicContact CB-CD2 4.29Å; Q97-L201 HydrophobicContact CG-CD2 4.26Å; L101-L201 HydrophobicContact CD2-CD1 4.29Å; L101-L201 HydrophobicContact CD2-CG 4.15Å; E197-L201 VanDerWaalsContact O-CA 3.28Å; E197-L201 WeakPolarHBondContact O-CA 3.36Å; E197-L201 PolarHBondContact O-N 3.03Å
202K94Very high92.2Very high149 Ų14940 Ų4065%0.64820%0.2SC*.SBendtrans-143.5148.5-175.6-64.3168.7-171.4170.80109.7Y196 E197 T200Y196-K202 VanDerWaalsContact CD1-O 3.29Å; Y196-K202 WeakPolarHBondContact CD1-O 3.4Å; Y196-K202 WeakPolarHBondContact CE1-O 3.42Å; E197-K202 WeakPolarHBondContact CA-O 3.49Å; T200-K202 PolarHBondContact O-N 2.78Å; T200-K202 PolarHBondContact OG1-N 3.06Å; T200-K202 PolarHBondContact OG1-O 3.28Å; T200-K202 VanDerWaalsContact OG1-O 3.09Å
203H94.3Very high91.6Very high35 Ų3540 Ų4016%0.16220%0.2CC..  trans-66.2145.8172.6-52.4-51.9000111.4Y170 E197Y170-H203 HydrophobicContact CD1-CB 4.15Å; Y170-H203 AromaticContact CD1-CD2 3.95Å; Y170-H203 AromaticContact CD2-CD2 3.27Å; Y170-H203 WeakPolarHBondContact CD2-CD2 3.42Å; Y170-H203 AromaticContact CD2-CE1 3.9Å; Y170-H203 AromaticContact CD2-CG 3.72Å; Y170-H203 AromaticContact CD2-NE2 3.44Å; Y170-H203 WeakPolarHBondContact CD2-NE2 3.43Å; Y170-H203 AromaticContact CE2-CD2 3.41Å; Y170-H203 VanDerWaalsContact CE2-CD2 3.41Å; Y170-H203 WeakPolarHBondContact CE2-CD2 3.1Å; Y170-H203 AromaticContact CE2-NE2 3.52Å; Y170-H203 HydrophobicContact CG-CB 3.97Å; Y170-H203 AromaticContact CG-CD2 3.56Å; Y170-H203 AromaticContact CG-CG 3.65Å; Y170-H203 AromaticContact CZ-CD2 3.8Å; E197-H203 IonicContact OE1-CE1 3.18Å; E197-H203 IonicContact OE2-CE1 3.66Å; E197-H203 PolarHBondContact OE2-CE1 3.13Å; E197-H203 VanDerWaalsContact OE2-CE1 3.27Å; E197-H203 IonicContact OE2-CG 3.91Å; E197-H203 IonicContact OE2-ND1 2.68Å; E197-H203 PolarHBondContact OE2-ND1 2.93Å
204A93.8Very high91Very high3 Ų341.4 Ų41.43%0.02521%0.209CC..SBendtrans-60.7-44.9-178.900000112.7Y196 L222 P223 L241Y196-A204 HydrophobicContact CD1-CB 3.7Å; Y196-A204 VanDerWaalsContact CE1-CA 3.43Å; Y196-A204 HydrophobicContact CE1-CB 4.24Å; Y196-A204 HydrophobicContact CG-CB 3.92Å; A204-L222 HydrophobicContact CB-CD1 3.69Å; A204-P223 WeakPolarHBondContact O-CD 3.39Å; A204-L241 HydrophobicContact CB-CD1 4.06Å
205F92.6Very high90.5Very high5 Ų548.7 Ų48.72%0.02224%0.238CC..SBendtrans-119.1131.4173.4-52.2-81.2000107.5Y170 W189 L213 R216 I217 L241Y170-F205 VanDerWaalsContact CD1-O 3.26Å; Y170-F205 WeakPolarHBondContact CD1-O 3.41Å; W189-F205 AromaticContact CH2-CE2 3.63Å; W189-F205 HydrophobicContact CH2-CE2 3.63Å; W189-F205 AromaticContact CH2-CZ 3.74Å; W189-F205 HydrophobicContact CH2-CZ 3.74Å; W189-F205 AromaticContact CZ2-CD2 3.88Å; W189-F205 HydrophobicContact CZ2-CD2 3.88Å; W189-F205 AromaticContact CZ2-CE2 3.27Å; W189-F205 HydrophobicContact CZ2-CE2 3.27Å; W189-F205 AromaticContact CZ2-CZ 3.88Å; W189-F205 HydrophobicContact CZ2-CZ 3.88Å; F205-L213 HydrophobicContact CB-CD1 4.03Å; F205-R216 HydrophobicContact CD1-CB 4.35Å; F205-R216 WeakPolarHBondContact CD1-O 3.48Å; F205-I217 HydrophobicContact CB-CD1 4.49Å; F205-I217 HydrophobicContact CB-CG1 3.79Å; F205-I217 HydrophobicContact CD1-CG1 4.19Å; F205-I217 HydrophobicContact CD2-CG1 3.93Å; F205-I217 HydrophobicContact CG-CG1 3.68Å; F205-L241 HydrophobicContact CE2-CD1 4.31Å; F205-L241 HydrophobicContact CE2-CD2 4.39Å
206N89.1Confident90.1Very high75 Ų7555 Ų5540%0.40126%0.261SS..  trans-147.4140.5-179.8-172.6-1000109Y170 R216Y170-N206 HydrophobicContact CE1-CB 4.33Å; Y170-N206 WeakPolarHBondContact CE1-OD1 3.23Å; N206-R216 VanDerWaalsContact O-CD 3.24Å; N206-R216 WeakPolarHBondContact O-CD 3.24Å; N206-R216 PolarHBondContact O-NH1 3.33Å
207A87Confident89.6Confident17 Ų1754.5 Ų54.514%0.1426%0.259CS..  trans-155.2173.3-176.200000110.5S212 L213A207-S212 VanDerWaalsContact CB-C 3.48Å; A207-L213 HydrophobicContact CB-CB 4.06Å; A207-L213 VanDerWaalsContact CB-N 3.33Å
208K82.4Confident89Confident207 Ų20758 Ų5890%0.928%0.281SS*.SBendtrans-82.3-21.9178.7-65.2-174.9177.9-176.40113.8
209D81.4Confident88.6Confident64 Ų6460.8 Ų60.834%0.34229%0.294SS..SBendtrans-150.4165.7-168.565.890.6000110.1N211 S212 L213D209-N211 WeakPolarHBondContact OD1-CB 3.4Å; D209-N211 PolarHBondContact OD1-N 3.36Å; D209-S212 PolarHBondContact OD1-N 3.32Å; D209-S212 PolarHBondContact OD1-OG 3.39Å; D209-S212 WeakPolarHBondContact OD2-CB 3.28Å; D209-S212 PolarHBondContact OD2-OG 3.13Å; D209-L213 PolarHBondContact O-N 3.09Å
210M80.6Confident87.9Confident67 Ų6762 Ų6233%0.3331%0.306SS..Hα-helixtrans-62.7-43.6-177.1-169.469.776.200112.5P169 F177 S212 L213 V214P169-M210 VanDerWaalsContact CD-SD 3.56Å; P169-M210 HydrophobicContact CG-CE 3.83Å; P169-M210 HydrophobicContact CG-SD 3.72Å; F177-M210 HydrophobicContact CE1-SD 4.41Å; M210-S212 PolarHBondContact O-N 2.6Å; M210-L213 WeakPolarHBondContact O-CB 3.46Å; M210-L213 PolarHBondContact O-N 3.43Å; M210-L213 VanDerWaalsContact O-N 3.11Å; M210-V214 HydrophobicContact CG-CG2 4.44Å; M210-V214 WeakPolarHBondContact O-CG2 3.43Å; M210-V214 PolarHBondContact O-N 3.11Å
211N81.8Confident87.5Confident94 Ų9468.7 Ų68.750%0.50333%0.334SS..Hα-helixtrans-67.6-40-174.9-67-28.5000111.2D209 L213 V214 Y215D209-N211 WeakPolarHBondContact OD1-CB 3.4Å; D209-N211 PolarHBondContact OD1-N 3.36Å; N211-L213 VanDerWaalsContact C-N 3.34Å; N211-V214 PolarHBondContact O-N 2.94Å; N211-Y215 WeakPolarHBondContact O-CB 3.27Å; N211-Y215 PolarHBondContact O-N 3.07Å
212S87.3Confident87.2Confident51 Ų5168.2 Ų68.236%0.35733%0.332SS..Hα-helixtrans-67.7-30.2171.7-64.40000113.1A207 D209 M210 R216A207-S212 VanDerWaalsContact CB-C 3.48Å; D209-S212 PolarHBondContact OD1-N 3.32Å; D209-S212 PolarHBondContact OD1-OG 3.39Å; D209-S212 WeakPolarHBondContact OD2-CB 3.28Å; D209-S212 PolarHBondContact OD2-OG 3.13Å; M210-S212 PolarHBondContact O-N 2.6Å; S212-R216 WeakPolarHBondContact O-CG 3.41Å; S212-R216 PolarHBondContact O-N 3.44Å; S212-R216 VanDerWaalsContact O-N 3.14Å
213L86.7Confident86.9Confident0 Ų063.9 Ų63.90%032%0.319CS..Hα-helixtrans-68.1-51.4172.2-176.975.8000110.3T168 P169 Y170 F205 A207 D209 M210 N211 Y215 R216 I217T168-L213 HydrophobicContact CG2-CB 4.33Å; T168-L213 HydrophobicContact CG2-CD1 4.25Å; T168-L213 HydrophobicContact CG2-CD2 3.84Å; T168-L213 HydrophobicContact CG2-CG 4.35Å; P169-L213 HydrophobicContact CG-CD2 4.11Å; Y170-L213 HydrophobicContact CD1-CD1 4.1Å; F205-L213 HydrophobicContact CB-CD1 4.03Å; A207-L213 HydrophobicContact CB-CB 4.06Å; A207-L213 VanDerWaalsContact CB-N 3.33Å; D209-L213 PolarHBondContact O-N 3.09Å; M210-L213 WeakPolarHBondContact O-CB 3.46Å; M210-L213 PolarHBondContact O-N 3.43Å; M210-L213 VanDerWaalsContact O-N 3.11Å; N211-L213 VanDerWaalsContact C-N 3.34Å; L213-Y215 VanDerWaalsContact C-N 3.29Å; L213-Y215 PolarHBondContact O-N 2.92Å; L213-R216 PolarHBondContact O-N 3.32Å; L213-I217 HydrophobicContact CD1-CD1 4.31Å; L213-I217 HydrophobicContact CD2-CD1 4.16Å; L213-I217 HydrophobicContact CG-CD1 3.82Å; L213-I217 HydrophobicContact CG-CG1 4.48Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.2Å
214V84.7Confident86.7Confident33 Ų3368 Ų6820%0.235%0.349CS..Hα-helixtrans-57-44.5177174.60000110.3F177 M210 N211 R216 I217 V218F177-V214 HydrophobicContact CB-CG1 4.12Å; F177-V214 HydrophobicContact CB-CG2 4.45Å; F177-V214 HydrophobicContact CD1-CG2 3.43Å; F177-V214 VanDerWaalsContact CD1-CG2 3.43Å; F177-V214 HydrophobicContact CD2-CG1 4.47Å; F177-V214 HydrophobicContact CD2-CG2 4.12Å; F177-V214 HydrophobicContact CE1-CG2 3.52Å; F177-V214 HydrophobicContact CE2-CG2 4.21Å; F177-V214 HydrophobicContact CG-CG1 4.15Å; F177-V214 HydrophobicContact CG-CG2 3.74Å; F177-V214 HydrophobicContact CZ-CG2 3.91Å; M210-V214 HydrophobicContact CG-CG2 4.44Å; M210-V214 WeakPolarHBondContact O-CG2 3.43Å; M210-V214 PolarHBondContact O-N 3.11Å; N211-V214 PolarHBondContact O-N 2.94Å; V214-R216 VanDerWaalsContact C-N 3.34Å; V214-R216 PolarHBondContact O-N 3.47Å; V214-I217 PolarHBondContact O-N 3.49Å; V214-V218 HydrophobicContact CG1-CG2 4.17Å; V214-V218 WeakPolarHBondContact O-CB 3.19Å; V214-V218 VanDerWaalsContact O-CG2 3.3Å; V214-V218 WeakPolarHBondContact O-CG2 3.44Å; V214-V218 PolarHBondContact O-N 3.09Å
215Y86.8Confident86.7Confident153 Ų15369.8 Ų69.860%0.636%0.357SS*.Hα-helixtrans-55.5-46.8173.9-179-88.9000112N211 L213 V218 E219N211-Y215 WeakPolarHBondContact O-CB 3.27Å; N211-Y215 PolarHBondContact O-N 3.07Å; L213-Y215 VanDerWaalsContact C-N 3.29Å; L213-Y215 PolarHBondContact O-N 2.92Å; Y215-V218 PolarHBondContact O-N 3.25Å; Y215-E219 HydrophobicContact CE1-CB 4.31Å; Y215-E219 WeakPolarHBondContact O-CB 3.44Å; Y215-E219 PolarHBondContact O-N 3.19Å
216R88.4Confident86.8Confident132 Ų13271.2 Ų71.250%0.49837%0.367SS..Hα-helixtrans-67.9-36.6179.3-77.4-179167.4-153.6-11.9113.4F205 N206 S212 L213 V214 G220F205-R216 HydrophobicContact CD1-CB 4.35Å; F205-R216 WeakPolarHBondContact CD1-O 3.48Å; N206-R216 VanDerWaalsContact O-CD 3.24Å; N206-R216 WeakPolarHBondContact O-CD 3.24Å; N206-R216 PolarHBondContact O-NH1 3.33Å; S212-R216 WeakPolarHBondContact O-CG 3.41Å; S212-R216 PolarHBondContact O-N 3.44Å; S212-R216 VanDerWaalsContact O-N 3.14Å; L213-R216 PolarHBondContact O-N 3.32Å; V214-R216 VanDerWaalsContact C-N 3.34Å; V214-R216 PolarHBondContact O-N 3.47Å; R216-G220 PolarHBondContact O-N 2.83Å
217I88.3Confident86.9Confident0 Ų073.9 Ų73.90%039%0.392CS..Hα-helixtrans-65.8-45.5175.1-72.2173.6000110.4P174 F177 W189 F205 L213 V214 G220P174-I217 HydrophobicContact CB-CG2 4.14Å; P174-I217 HydrophobicContact CG-CG2 3.65Å; F177-I217 HydrophobicContact CD2-CG2 4.41Å; F177-I217 HydrophobicContact CE2-CD1 3.72Å; F177-I217 HydrophobicContact CE2-CG2 4.23Å; F177-I217 HydrophobicContact CZ-CD1 4.19Å; W189-I217 HydrophobicContact CH2-CG2 4.13Å; W189-I217 HydrophobicContact CZ2-CG1 4.42Å; W189-I217 HydrophobicContact CZ2-CG2 3.82Å; F205-I217 HydrophobicContact CB-CD1 4.49Å; F205-I217 HydrophobicContact CB-CG1 3.79Å; F205-I217 HydrophobicContact CD1-CG1 4.19Å; F205-I217 HydrophobicContact CD2-CG1 3.93Å; F205-I217 HydrophobicContact CG-CG1 3.68Å; L213-I217 HydrophobicContact CD1-CD1 4.31Å; L213-I217 HydrophobicContact CD2-CD1 4.16Å; L213-I217 HydrophobicContact CG-CD1 3.82Å; L213-I217 HydrophobicContact CG-CG1 4.48Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.2Å; V214-I217 PolarHBondContact O-N 3.49Å; I217-G220 PolarHBondContact O-N 2.72Å
218V84.8Confident87.2Confident80 Ų8078.6 Ų78.649%0.48541%0.411SS..Hα-helixtrans-71.9-30.7177.2173.90000112.1V214 Y215 K243V214-V218 HydrophobicContact CG1-CG2 4.17Å; V214-V218 WeakPolarHBondContact O-CB 3.19Å; V214-V218 VanDerWaalsContact O-CG2 3.3Å; V214-V218 WeakPolarHBondContact O-CG2 3.44Å; V214-V218 PolarHBondContact O-N 3.09Å; Y215-V218 PolarHBondContact O-N 3.25Å; V218-K243 WeakPolarHBondContact O-CE 3.17Å; V218-K243 PolarHBondContact O-NZ 3.05Å
219E87.3Confident87.8Confident58 Ų5869.5 Ų69.527%0.27137%0.371SS..Hα-helixtrans-68.3-37.5170.2-174.9178.5-147.500111.1Y215 K221 K243Y215-E219 HydrophobicContact CE1-CB 4.31Å; Y215-E219 WeakPolarHBondContact O-CB 3.44Å; Y215-E219 PolarHBondContact O-N 3.19Å; E219-K221 HydrophobicContact CG-CB 4.32Å; E219-K221 HydrophobicContact CG-CD 3.91Å; E219-K221 HydrophobicContact CG-CG 3.94Å; E219-K221 PolarHBondContact O-N 3.04Å; E219-K221 WeakPolarHBondContact OE1-CD 3.38Å; E219-K221 WeakPolarHBondContact OE1-CE 3.3Å; E219-K221 IonicContact OE1-NZ 2.69Å; E219-K221 PolarHBondContact OE1-NZ 3.25Å; E219-K243 VanDerWaalsContact C-CE 3.47Å; E219-K243 VanDerWaalsContact C-NZ 3.27Å; E219-K243 WeakPolarHBondContact O-CE 3.39Å; E219-K243 PolarHBondContact O-NZ 3.06Å
220G83.6Confident88.4Confident25 Ų2569.7 Ų69.726%0.25837%0.369SS..  trans68.414.4173.600000115.1R216 I217 L222R216-G220 PolarHBondContact O-N 2.83Å; I217-G220 PolarHBondContact O-N 2.72Å; G220-L222 PolarHBondContact O-N 2.91Å
221K86.5Confident89.1Confident151 Ų15170.4 Ų70.466%0.65738%0.379SS*.  trans-78.288.4175.7-74.4177.4-166160.20110.3E219E219-K221 HydrophobicContact CG-CB 4.32Å; E219-K221 HydrophobicContact CG-CD 3.91Å; E219-K221 HydrophobicContact CG-CG 3.94Å; E219-K221 PolarHBondContact O-N 3.04Å; E219-K221 WeakPolarHBondContact OE1-CD 3.38Å; E219-K221 WeakPolarHBondContact OE1-CE 3.3Å; E219-K221 IonicContact OE1-NZ 2.69Å; E219-K221 PolarHBondContact OE1-NZ 3.25Å
222L89.3Confident89.7Confident33 Ų3370 Ų7017%0.17337%0.374CS..PPolyproline II helixtrans-61.9134.1169.7-167.468.9000110.2Y196 A204 G220 I237 K238 L241Y196-L222 HydrophobicContact CD2-CD1 3.7Å; Y196-L222 HydrophobicContact CD2-CD2 3.97Å; Y196-L222 HydrophobicContact CD2-CG 4.01Å; Y196-L222 HydrophobicContact CE2-CD1 3.73Å; Y196-L222 HydrophobicContact CE2-CD2 4.18Å; Y196-L222 HydrophobicContact CE2-CG 3.83Å; Y196-L222 HydrophobicContact CG-CD1 4.24Å; A204-L222 HydrophobicContact CB-CD1 3.69Å; G220-L222 PolarHBondContact O-N 2.91Å; L222-I237 HydrophobicContact CD2-CG2 3.89Å; L222-K238 HydrophobicContact CD2-CG 4.1Å; L222-L241 HydrophobicContact CD1-CD1 3.69Å; L222-L241 HydrophobicContact CD2-CD1 4.21Å
223P89.1Confident90Very high58 Ų5867.6 Ų67.638%0.37736%0.357SS..PPolyproline II helixtrans-63157.9173.6-17.530.4000111.9Y196 A204 M225Y196-P223 WeakPolarHBondContact OH-CB 3.3Å; Y196-P223 WeakPolarHBondContact OH-CG 3.41Å; A204-P223 WeakPolarHBondContact O-CD 3.39Å; P223-M225 PolarHBondContact O-N 2.91Å
224P89.4Confident90.4Very high122 Ų12268 Ų6879%0.79236%0.361SS*.PPolyproline II helixtrans-64.9135.9-177.526.6-34.5000111.9
225M93.9Very high90.9Very high40 Ų4071.2 Ų71.220%0.19737%0.374CS..PPolyproline II helixtrans-66.3144.4173.1-71.5-70.7-66.500110.9Y196 T200 P223 S227 Y229 L233 I237Y196-M225 HydrophobicContact CD2-SD 3.82Å; Y196-M225 HydrophobicContact CE2-SD 4.03Å; T200-M225 HydrophobicContact CG2-SD 4.23Å; P223-M225 PolarHBondContact O-N 2.91Å; M225-S227 PolarHBondContact O-N 3.46Å; M225-Y229 HydrophobicContact CE-CD2 4.28Å; M225-L233 HydrophobicContact CE-CG 4.47Å; M225-I237 HydrophobicContact CE-CD1 3.46Å; M225-I237 VanDerWaalsContact CE-CD1 3.46Å; M225-I237 HydrophobicContact SD-CD1 3.82Å
226P93.8Very high91.4Very high35 Ų3564 Ų6423%0.22735%0.346CS..PPolyproline II helixtrans-58.7134.4174.1-25.535.3000112.1L101 T200 Q228 Y229L101-P226 HydrophobicContact CD1-CB 3.61Å; L101-P226 HydrophobicContact CD1-CG 3.68Å; T200-P226 HydrophobicContact CG2-CG 4.28Å; P226-Q228 HydrophobicContact CB-CG 4.22Å; P226-Q228 PolarHBondContact O-N 3.31Å; P226-Y229 HydrophobicContact CB-CD2 3.89Å; P226-Y229 HydrophobicContact CB-CE2 3.91Å; P226-Y229 HydrophobicContact CG-CD2 4.19Å; P226-Y229 HydrophobicContact CG-CE2 3.92Å; P226-Y229 WeakPolarHBondContact O-CD2 3.46Å; P226-Y229 PolarHBondContact O-N 3.45Å; P226-Y229 VanDerWaalsContact O-N 3.16Å
227S92.9Very high91.8Very high131 Ų13157.8 Ų57.892%0.91632%0.322SS*.THydrogen-bonded Turntrans-66.3-7.8-173.450.30000115.4M225 Y229M225-S227 PolarHBondContact O-N 3.46Å; S227-Y229 VanDerWaalsContact C-N 3.28Å
228Q93Very high92.1Very high116 Ų11664 Ų6454%0.54235%0.349SS..THydrogen-bonded Turntrans-74.4-14.3173.167.8175.855.300114L101 P226L101-Q228 HydrophobicContact CD1-CG 4.43Å; P226-Q228 HydrophobicContact CB-CG 4.22Å; P226-Q228 PolarHBondContact O-N 3.31Å
229Y94.7Very high92.7Very high16 Ų1661.6 Ų61.66%0.06334%0.336CS..SBendtrans-96.9146.1-179.9-61.2-71.2000111.9L101 L102 E104 V107 S199 M225 P226 S227 L233L101-Y229 HydrophobicContact CD1-CE2 4.42Å; L102-Y229 WeakPolarHBondContact O-CE1 3.38Å; L102-Y229 PolarHBondContact O-OH 3.27Å; L102-Y229 VanDerWaalsContact O-OH 3.09Å; E104-Y229 HydrophobicContact CB-CD1 3.88Å; E104-Y229 HydrophobicContact CB-CE1 4.26Å; E104-Y229 HydrophobicContact CG-CD1 4.22Å; E104-Y229 WeakPolarHBondContact OE2-CA 3.49Å; V107-Y229 HydrophobicContact CG2-CE1 4.25Å; S199-Y229 WeakPolarHBondContact O-CE2 3.44Å; S199-Y229 VanDerWaalsContact O-CZ 3.28Å; S199-Y229 PolarHBondContact O-OH 2.99Å; M225-Y229 HydrophobicContact CE-CD2 4.28Å; P226-Y229 HydrophobicContact CB-CD2 3.89Å; P226-Y229 HydrophobicContact CB-CE2 3.91Å; P226-Y229 HydrophobicContact CG-CD2 4.19Å; P226-Y229 HydrophobicContact CG-CE2 3.92Å; P226-Y229 WeakPolarHBondContact O-CD2 3.46Å; P226-Y229 PolarHBondContact O-N 3.45Å; P226-Y229 VanDerWaalsContact O-N 3.16Å; S227-Y229 VanDerWaalsContact C-N 3.28Å; Y229-L233 HydrophobicContact CD1-CD2 3.97Å; Y229-L233 HydrophobicContact CG-CD2 4.26Å
230H93.8Very high93.2Very high68 Ų6858.9 Ų58.932%0.31532%0.323SS..  trans-59.3132.4175.2-164-85.2000110.9E104 H232 L233 Y259E104-H230 VanDerWaalsContact OE2-CB 3.28Å; E104-H230 WeakPolarHBondContact OE2-CB 3.39Å; E104-H230 PolarHBondContact OE2-N 2.84Å; H230-H232 AromaticContact CE1-CD2 3.37Å; H230-H232 PolarHBondContact CE1-CD2 3.33Å; H230-H232 AromaticContact CE1-CG 3.64Å; H230-H232 AromaticContact CE1-NE2 3.78Å; H230-H232 AromaticContact ND1-CD2 3.73Å; H230-H232 AromaticContact ND1-CG 3.59Å; H230-H232 PolarHBondContact ND1-N 2.89Å; H230-H232 PolarHBondContact O-N 2.84Å; H230-H232 VanDerWaalsContact O-N 3.08Å; H230-L233 WeakPolarHBondContact O-CB 3.37Å; H230-L233 PolarHBondContact O-N 3.39Å; H230-Y259 HydrophobicContact CB-CE2 4.01Å; H230-Y259 AromaticContact CG-CE2 3.94Å; H230-Y259 AromaticContact ND1-CD2 3.97Å; H230-Y259 AromaticContact ND1-CE2 3.79Å
231P94.4Very high93.8Very high82 Ų8258.3 Ų58.353%0.53231%0.314SS..Hα-helixtrans-51.2-39.4-175.5-31.336.4000114.6L233 G234 E235P231-L233 PolarHBondContact O-N 3.17Å; P231-L233 VanDerWaalsContact O-N 3.17Å; P231-G234 CarbonylContact O-C 3.47Å; P231-G234 WeakPolarHBondContact O-CA 3.45Å; P231-G234 PolarHBondContact O-N 3.01Å; P231-E235 PolarHBondContact O-N 3.49Å
232H94.2Very high94.2Very high87 Ų8752.8 Ų52.840%0.40330%0.295SS..Hα-helixtrans-57.2-27.9176.7-60-13.5000114.9H230 E235 L236 Y259H230-H232 AromaticContact CE1-CD2 3.37Å; H230-H232 PolarHBondContact CE1-CD2 3.33Å; H230-H232 AromaticContact CE1-CG 3.64Å; H230-H232 AromaticContact CE1-NE2 3.78Å; H230-H232 AromaticContact ND1-CD2 3.73Å; H230-H232 AromaticContact ND1-CG 3.59Å; H230-H232 PolarHBondContact ND1-N 2.89Å; H230-H232 PolarHBondContact O-N 2.84Å; H230-H232 VanDerWaalsContact O-N 3.08Å; H232-E235 WeakPolarHBondContact CA-OE2 3.37Å; H232-E235 IonicContact CE1-OE2 3.9Å; H232-E235 IonicContact CG-OE2 3.47Å; H232-E235 IonicContact ND1-OE2 2.79Å; H232-E235 PolarHBondContact ND1-OE2 2.83Å; H232-L236 VanDerWaalsContact O-CB 3.23Å; H232-L236 WeakPolarHBondContact O-CB 3.44Å; H232-L236 PolarHBondContact O-N 2.94Å; H232-Y259 HydrophobicContact CB-CD1 4.13Å; H232-Y259 HydrophobicContact CB-CD2 3.83Å; H232-Y259 HydrophobicContact CB-CE2 4.35Å; H232-Y259 HydrophobicContact CB-CG 3.73Å
233L94.9Very high94.3Very high0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-67.4-43.3172.5-178.958.9000110.7E104 V107 V108 V195 M225 Y229 H230 P231 L236 I237 Y259E104-L233 HydrophobicContact CG-CD2 4.36Å; V107-L233 HydrophobicContact CG1-CD2 4.35Å; V108-L233 HydrophobicContact CG2-CD1 4.48Å; V195-L233 HydrophobicContact CG1-CD1 4.19Å; M225-L233 HydrophobicContact CE-CG 4.47Å; Y229-L233 HydrophobicContact CD1-CD2 3.97Å; Y229-L233 HydrophobicContact CG-CD2 4.26Å; H230-L233 WeakPolarHBondContact O-CB 3.37Å; H230-L233 PolarHBondContact O-N 3.39Å; P231-L233 PolarHBondContact O-N 3.17Å; P231-L233 VanDerWaalsContact O-N 3.17Å; L233-L236 PolarHBondContact O-N 3.25Å; L233-I237 HydrophobicContact CD1-CD1 4.21Å; L233-I237 HydrophobicContact CG-CD1 4.02Å; L233-I237 WeakPolarHBondContact O-CD1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.34Å; L233-I237 PolarHBondContact O-N 2.96Å; L233-Y259 HydrophobicContact CB-CE1 4.11Å; L233-Y259 HydrophobicContact CD1-CE1 4.41Å
234G95.3Very high94.5Very high7 Ų759.2 Ų59.27%0.07232%0.315CS..Hα-helixtrans-67.4-36.5175.500000113.3P231 K238P231-G234 CarbonylContact O-C 3.47Å; P231-G234 WeakPolarHBondContact O-CA 3.45Å; P231-G234 PolarHBondContact O-N 3.01Å; G234-K238 WeakPolarHBondContact O-CB 3.46Å; G234-K238 WeakPolarHBondContact O-CD 3.28Å; G234-K238 WeakPolarHBondContact O-CG 3.3Å; G234-K238 PolarHBondContact O-N 3.27Å
235E95.4Very high94.7Very high101 Ų10154 Ų5447%0.47228%0.281SS..Hα-helixtrans-65.5-44.8173.5-70.2151.6-163.900111.5P231 H232 K238 S239P231-E235 PolarHBondContact O-N 3.49Å; H232-E235 WeakPolarHBondContact CA-OE2 3.37Å; H232-E235 IonicContact CE1-OE2 3.9Å; H232-E235 IonicContact CG-OE2 3.47Å; H232-E235 IonicContact ND1-OE2 2.79Å; H232-E235 PolarHBondContact ND1-OE2 2.83Å; E235-K238 PolarHBondContact O-N 2.95Å; E235-S239 PolarHBondContact O-N 3.3Å
236L96Very high94.7Very high3 Ų357.7 Ų57.72%0.01630%0.298CS..Hα-helixtrans-62.3-46.4175.3174.650.8000111.7F111 H232 L233 K238 S239 M240 I254 I260F111-L236 HydrophobicContact CE1-CD2 3.58Å; F111-L236 HydrophobicContact CE1-CG 4.48Å; F111-L236 HydrophobicContact CZ-CD2 3.82Å; F111-L236 HydrophobicContact CZ-CG 4.29Å; H232-L236 VanDerWaalsContact O-CB 3.23Å; H232-L236 WeakPolarHBondContact O-CB 3.44Å; H232-L236 PolarHBondContact O-N 2.94Å; L233-L236 PolarHBondContact O-N 3.25Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-K238 PolarHBondContact O-N 2.99Å; L236-S239 PolarHBondContact O-N 3Å; L236-S239 VanDerWaalsContact O-N 3.14Å; L236-S239 PolarHBondContact O-OG 2.93Å; L236-M240 HydrophobicContact CD1-CE 4.32Å; L236-M240 HydrophobicContact CD1-CG 4.4Å; L236-M240 HydrophobicContact CG-CE 4.12Å; L236-M240 PolarHBondContact O-N 3.41Å; L236-M240 VanDerWaalsContact O-N 3.07Å; L236-I254 HydrophobicContact CD1-CG1 4.11Å; L236-I254 HydrophobicContact CD1-CG2 4.22Å; L236-I260 HydrophobicContact CD2-CD1 3.78Å; L236-I260 HydrophobicContact CD2-CG1 3.82Å
237I96.9Very high94.8Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-57.9-45.5174.6-68.6161.6000111.1V195 Y196 L222 M225 L233 S239 M240 L241V195-I237 HydrophobicContact CB-CG1 4.23Å; V195-I237 HydrophobicContact CG1-CD1 3.9Å; V195-I237 HydrophobicContact CG1-CG1 3.74Å; Y196-I237 HydrophobicContact CD2-CG2 4.24Å; L222-I237 HydrophobicContact CD2-CG2 3.89Å; M225-I237 HydrophobicContact CE-CD1 3.46Å; M225-I237 VanDerWaalsContact CE-CD1 3.46Å; M225-I237 HydrophobicContact SD-CD1 3.82Å; L233-I237 HydrophobicContact CD1-CD1 4.21Å; L233-I237 HydrophobicContact CG-CD1 4.02Å; L233-I237 WeakPolarHBondContact O-CD1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.34Å; L233-I237 PolarHBondContact O-N 2.96Å; I237-S239 VanDerWaalsContact C-N 3.33Å; I237-S239 PolarHBondContact O-N 2.7Å; I237-M240 HydrophobicContact CG1-CE 4.33Å; I237-M240 PolarHBondContact O-N 2.64Å; I237-L241 HydrophobicContact CG2-CD1 3.97Å; I237-L241 WeakPolarHBondContact O-CG 3.26Å; I237-L241 PolarHBondContact O-N 2.84Å
238K95.8Very high95Very high130 Ų13054.3 Ų54.357%0.56527%0.268SS*.Hα-helixtrans-59.6-40.5175.4-74166.4-176.7176.50112.4L222 G234 E235 L236 M240 L241 C242L222-K238 HydrophobicContact CD2-CG 4.1Å; G234-K238 WeakPolarHBondContact O-CB 3.46Å; G234-K238 WeakPolarHBondContact O-CD 3.28Å; G234-K238 WeakPolarHBondContact O-CG 3.3Å; G234-K238 PolarHBondContact O-N 3.27Å; E235-K238 PolarHBondContact O-N 2.95Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-K238 PolarHBondContact O-N 2.99Å; K238-M240 PolarHBondContact O-N 2.99Å; K238-L241 CarbonylContact O-C 3.45Å; K238-L241 VanDerWaalsContact O-C 3.28Å; K238-L241 PolarHBondContact O-N 2.91Å; K238-L241 VanDerWaalsContact O-N 3.15Å; K238-C242 PolarHBondContact O-N 3.2Å
239S96.6Very high95.2Very high31 Ų3150.1 Ų50.122%0.21725%0.251CS..Hα-helixtrans-66.4-34.3178.374.50000113.3E235 L236 I237 L241 C242 P249E235-S239 PolarHBondContact O-N 3.3Å; L236-S239 PolarHBondContact O-N 3Å; L236-S239 VanDerWaalsContact O-N 3.14Å; L236-S239 PolarHBondContact O-OG 2.93Å; I237-S239 VanDerWaalsContact C-N 3.33Å; I237-S239 PolarHBondContact O-N 2.7Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-C242 PolarHBondContact O-SG 2.96Å; S239-C242 VanDerWaalsContact O-SG 3.39Å; S239-P249 VanDerWaalsContact O-CD 3.24Å; S239-P249 WeakPolarHBondContact O-CD 3.38Å
240M97.4Very high95.3Very high0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-71.4-28.6172.3-67.7-174.5-7200112.2F111 V188 L191 V195 L236 I237 K238 R248 I254F111-M240 HydrophobicContact CE2-CE 3.95Å; F111-M240 HydrophobicContact CE2-SD 3.96Å; F111-M240 HydrophobicContact CZ-CE 4.02Å; F111-M240 HydrophobicContact CZ-SD 4.17Å; V188-M240 HydrophobicContact CG1-CB 4.02Å; V188-M240 HydrophobicContact CG1-CG 3.86Å; L191-M240 HydrophobicContact CD2-SD 3.94Å; L191-M240 HydrophobicContact CG-SD 3.99Å; V195-M240 HydrophobicContact CB-CE 4.39Å; V195-M240 HydrophobicContact CG2-CE 4.32Å; L236-M240 HydrophobicContact CD1-CE 4.32Å; L236-M240 HydrophobicContact CD1-CG 4.4Å; L236-M240 HydrophobicContact CG-CE 4.12Å; L236-M240 PolarHBondContact O-N 3.41Å; L236-M240 VanDerWaalsContact O-N 3.07Å; I237-M240 HydrophobicContact CG1-CE 4.33Å; I237-M240 PolarHBondContact O-N 2.64Å; K238-M240 PolarHBondContact O-N 2.99Å; M240-R248 WeakPolarHBondContact O-CD 3.41Å; M240-I254 HydrophobicContact CG-CD1 3.79Å; M240-I254 HydrophobicContact SD-CD1 3.75Å
241L96.6Very high95.4Very high13 Ų1348.8 Ų48.87%0.06825%0.247CC..THydrogen-bonded Turntrans-97.327178.4-60.9179.4000113.3W189 A204 F205 L222 I237 K238 S239W189-L241 HydrophobicContact CD2-CD2 3.67Å; W189-L241 HydrophobicContact CE3-CB 4.35Å; W189-L241 HydrophobicContact CE3-CD2 3.9Å; W189-L241 HydrophobicContact CG-CD2 4.06Å; W189-L241 HydrophobicContact CZ2-CD2 4.31Å; W189-L241 HydrophobicContact CZ3-CB 4.2Å; W189-L241 HydrophobicContact CZ3-CD2 4.31Å; W189-L241 VanDerWaalsContact CZ3-O 3.27Å; W189-L241 WeakPolarHBondContact CZ3-O 3.34Å; W189-L241 WeakPolarHBondContact O-CD2 3.2Å; A204-L241 HydrophobicContact CB-CD1 4.06Å; F205-L241 HydrophobicContact CE2-CD1 4.31Å; F205-L241 HydrophobicContact CE2-CD2 4.39Å; L222-L241 HydrophobicContact CD1-CD1 3.69Å; L222-L241 HydrophobicContact CD2-CD1 4.21Å; I237-L241 HydrophobicContact CG2-CD1 3.97Å; I237-L241 WeakPolarHBondContact O-CG 3.26Å; I237-L241 PolarHBondContact O-N 2.84Å; K238-L241 CarbonylContact O-C 3.45Å; K238-L241 VanDerWaalsContact O-C 3.28Å; K238-L241 PolarHBondContact O-N 2.91Å; K238-L241 VanDerWaalsContact O-N 3.15Å; S239-L241 VanDerWaalsContact C-N 3.32Å
242C95.1Very high95.4Very high36 Ų3649.1 Ų49.124%0.24324%0.24CC..  trans-64.3138167.4-75.30000110.9K238 S239 D247 R248K238-C242 PolarHBondContact O-N 3.2Å; S239-C242 PolarHBondContact O-SG 2.96Å; S239-C242 VanDerWaalsContact O-SG 3.39Å; C242-D247 HydrophobicContact CB-CB 3.82Å; C242-R248 HydrophobicContact CB-CG 3.89Å; C242-R248 PolarHBondContact O-NE 3.46Å; C242-R248 PolarHBondContact O-NH2 3.15Å
243K91.6Very high95.5Very high102 Ų10249.7 Ų49.744%0.44324%0.243SC..SBendtrans-61.5-49.4-176.5-62.7-177.8-174.3-175.50112.2V218 E219 R248V218-K243 WeakPolarHBondContact O-CE 3.17Å; V218-K243 PolarHBondContact O-NZ 3.05Å; E219-K243 VanDerWaalsContact C-CE 3.47Å; E219-K243 VanDerWaalsContact C-NZ 3.27Å; E219-K243 WeakPolarHBondContact O-CE 3.39Å; E219-K243 PolarHBondContact O-NZ 3.06Å; K243-R248 PolarHBondContact O-NH2 2.69Å
244K92Very high95.5Very high123 Ų12349.7 Ų49.754%0.53524%0.243SC..SBendtrans-69.1129.6173.2-71.8-167.3-164166.60110E246 D247K244-E246 VanDerWaalsContact CB-OE2 3.3Å; K244-E246 WeakPolarHBondContact CB-OE2 3.07Å; K244-E246 PolarHBondContact O-N 3.41Å; K244-D247 HydrophobicContact CB-CB 4.14Å; K244-D247 WeakPolarHBondContact CB-OD2 3.39Å; K244-D247 WeakPolarHBondContact CD-OD2 3.43Å; K244-D247 PolarHBondContact O-N 2.96Å
245P93.9Very high95.4Very high12 Ų1250.4 Ų50.48%0.07825%0.245CC..SBendtrans-56.6-33.8170.1-26.235.6000113E175 K185 R248E175-P245 HydrophobicContact CB-CG 4.08Å; E175-P245 HydrophobicContact CG-CG 4.1Å; K185-P245 HydrophobicContact CB-CB 3.87Å; K185-P245 WeakPolarHBondContact CB-O 3.08Å; K185-P245 WeakPolarHBondContact CD-O 3.33Å; K185-P245 HydrophobicContact CG-CB 4.33Å; K185-P245 WeakPolarHBondContact CG-O 3.39Å; K185-P245 PolarHBondContact NZ-O 2.99Å; P245-R248 PolarHBondContact O-N 3.35Å
246E94.8Very high95.4Very high119 Ų11952.5 Ų52.556%0.55625%0.248SC*.THydrogen-bonded Turntrans-64.1-44.5-175.5-56.472.6-150.500110.7K185 K244 R248K185-E246 PolarHBondContact NZ-O 3.49Å; K244-E246 VanDerWaalsContact CB-OE2 3.3Å; K244-E246 WeakPolarHBondContact CB-OE2 3.07Å; K244-E246 PolarHBondContact O-N 3.41Å; E246-R248 PolarHBondContact O-N 3.31Å
247D95.8Very high95.3Very high91 Ų9155 Ų5549%0.48726%0.26SS..THydrogen-bonded Turntrans-69.8-11.6-179.4-59.1-8.5000114.1C242 K244C242-D247 HydrophobicContact CB-CB 3.82Å; K244-D247 HydrophobicContact CB-CB 4.14Å; K244-D247 WeakPolarHBondContact CB-OD2 3.39Å; K244-D247 WeakPolarHBondContact CD-OD2 3.43Å; K244-D247 PolarHBondContact O-N 2.96Å
248R97.4Very high95Very high3 Ų360.4 Ų60.41%0.01130%0.295CS..SBendtrans-80.1134.9179-60.4174.4-157.4147.912110.4E175 K185 V188 M240 C242 K243 P245 E246E175-R248 IonicContact OE1-CZ 3.94Å; E175-R248 IonicContact OE1-NH1 2.8Å; E175-R248 PolarHBondContact OE1-NH1 3.32Å; E175-R248 IonicContact OE1-NH2 3.87Å; E175-R248 IonicContact OE2-CZ 2.74Å; E175-R248 IonicContact OE2-NH1 3.78Å; E175-R248 PolarHBondContact OE2-NH1 3.32Å; E175-R248 IonicContact OE2-NH2 3.66Å; E175-R248 PolarHBondContact OE2-NH2 3.1Å; K185-R248 HydrophobicContact CD-CB 4.28Å; K185-R248 VanDerWaalsContact CE-O 3.31Å; K185-R248 WeakPolarHBondContact CE-O 3.07Å; K185-R248 PolarHBondContact NZ-O 2.81Å; K185-R248 WeakPolarHBondContact O-CD 3.45Å; K185-R248 PolarHBondContact O-NH1 3.16Å; V188-R248 HydrophobicContact CG1-CB 4.15Å; M240-R248 WeakPolarHBondContact O-CD 3.41Å; C242-R248 HydrophobicContact CB-CG 3.89Å; C242-R248 PolarHBondContact O-NE 3.46Å; C242-R248 PolarHBondContact O-NH2 3.15Å; K243-R248 PolarHBondContact O-NH2 2.69Å; P245-R248 PolarHBondContact O-N 3.35Å; E246-R248 PolarHBondContact O-N 3.31Å
249P97.2Very high94.8Very high29 Ų2955 Ų5519%0.18827%0.271CS..PPolyproline II helixtrans-73.4145.1177.630.1-33.8000111.8S239 H253 I254S239-P249 VanDerWaalsContact O-CD 3.24Å; S239-P249 WeakPolarHBondContact O-CD 3.38Å; P249-H253 HydrophobicContact CB-CB 4.43Å; P249-I254 HydrophobicContact CB-CG1 4.09Å; P249-I254 HydrophobicContact CG-CD1 4.12Å; P249-I254 HydrophobicContact CG-CG1 3.78Å
250D96.4Very high94.6Very high52 Ų5253.5 Ų53.528%0.27826%0.261SS..PPolyproline II helixtrans-66.3154.9174.1-43.2-62.6000111.4H184 K185 K252 H253 I254H184-D250 IonicContact NE2-OD1 2.71Å; K185-D250 WeakPolarHBondContact CE-OD1 3.43Å; D250-K252 PolarHBondContact O-N 2.92Å; D250-K252 VanDerWaalsContact O-N 3.14Å; D250-H253 CarbonylContact O-C 3.54Å; D250-H253 WeakPolarHBondContact O-CA 3.29Å; D250-H253 WeakPolarHBondContact O-CB 3.44Å; D250-H253 PolarHBondContact O-N 2.93Å; D250-H253 IonicContact OD2-CE1 3.07Å; D250-H253 PolarHBondContact OD2-CE1 3.24Å; D250-H253 IonicContact OD2-CG 2.6Å; D250-H253 IonicContact OD2-ND1 2.64Å; D250-H253 PolarHBondContact OD2-ND1 2.71Å; D250-I254 WeakPolarHBondContact O-CG1 3.41Å; D250-I254 PolarHBondContact O-N 2.79Å
251V96Very high94.3Very high4 Ų457 Ų572%0.02428%0.276CS..Hα-helixtrans-55.5-35.4176.6-167.80000112.2A115 L118 Q119 V188 I254 L255A115-V251 HydrophobicContact CB-CG1 3.84Å; A115-V251 WeakPolarHBondContact O-CG1 3.43Å; L118-V251 HydrophobicContact CB-CG1 4.19Å; L118-V251 HydrophobicContact CB-CG2 4.14Å; Q119-V251 HydrophobicContact CB-CG1 4.1Å; V188-V251 HydrophobicContact CG2-CG2 3.78Å; V251-I254 WeakPolarHBondContact O-CB 3.33Å; V251-I254 PolarHBondContact O-N 2.71Å; V251-L255 HydrophobicContact CG1-CD1 4.27Å; V251-L255 WeakPolarHBondContact O-CG 3.27Å; V251-L255 PolarHBondContact O-N 2.63Å
252K94.6Very high93.9Very high89 Ų8964 Ų6439%0.38730%0.301SS..Hα-helixtrans-65.8-34.2174-166.9170.9-167.2141.30113.2E123 D250 R256E123-K252 IonicContact OE1-NZ 2.68Å; E123-K252 PolarHBondContact OE1-NZ 2.67Å; D250-K252 PolarHBondContact O-N 2.92Å; D250-K252 VanDerWaalsContact O-N 3.14Å; K252-R256 VanDerWaalsContact O-CD 3.26Å; K252-R256 WeakPolarHBondContact O-CD 3.23Å; K252-R256 WeakPolarHBondContact O-CG 3.27Å
253H95.3Very high93.5Very high98 Ų9863.3 Ų63.345%0.45430%0.295SS..Hα-helixtrans-78.2-39.8175.3-74.3115.2000111.6P249 D250 R256 Q257P249-H253 HydrophobicContact CB-CB 4.43Å; D250-H253 CarbonylContact O-C 3.54Å; D250-H253 WeakPolarHBondContact O-CA 3.29Å; D250-H253 WeakPolarHBondContact O-CB 3.44Å; D250-H253 PolarHBondContact O-N 2.93Å; D250-H253 IonicContact OD2-CE1 3.07Å; D250-H253 PolarHBondContact OD2-CE1 3.24Å; D250-H253 IonicContact OD2-CG 2.6Å; D250-H253 IonicContact OD2-ND1 2.64Å; D250-H253 PolarHBondContact OD2-ND1 2.71Å; H253-R256 PolarHBondContact O-N 3.47Å; H253-R256 VanDerWaalsContact O-N 3.16Å; H253-Q257 PolarHBondContact O-N 3.38Å
254I95.8Very high93.1Very high0 Ų060.7 Ų60.70%029%0.285CS..Hα-helixtrans-54-53.6172.6-71.5168000111.2F111 V188 L236 M240 P249 D250 V251 R256 Q257F111-I254 HydrophobicContact CE1-CG2 4.04Å; F111-I254 HydrophobicContact CE2-CG2 4.21Å; F111-I254 HydrophobicContact CZ-CG2 3.39Å; V188-I254 HydrophobicContact CG1-CD1 4.11Å; L236-I254 HydrophobicContact CD1-CG1 4.11Å; L236-I254 HydrophobicContact CD1-CG2 4.22Å; M240-I254 HydrophobicContact CG-CD1 3.79Å; M240-I254 HydrophobicContact SD-CD1 3.75Å; P249-I254 HydrophobicContact CB-CG1 4.09Å; P249-I254 HydrophobicContact CG-CD1 4.12Å; P249-I254 HydrophobicContact CG-CG1 3.78Å; D250-I254 WeakPolarHBondContact O-CG1 3.41Å; D250-I254 PolarHBondContact O-N 2.79Å; V251-I254 WeakPolarHBondContact O-CB 3.33Å; V251-I254 PolarHBondContact O-N 2.71Å; I254-R256 PolarHBondContact O-N 3.11Å; I254-Q257 WeakPolarHBondContact O-CB 3.21Å; I254-Q257 PolarHBondContact O-N 2.68Å
255L93.9Very high92.8Very high22 Ų2257.1 Ų57.112%0.11528%0.278CS..THydrogen-bonded Turntrans-66-17.8-179.2-74.6167.3000113.7V112 A115 M116 Q119 V251V112-L255 HydrophobicContact CG1-CD2 4.04Å; V112-L255 HydrophobicContact CG2-CD2 4.47Å; A115-L255 HydrophobicContact CB-CD1 4.14Å; A115-L255 HydrophobicContact CB-CD2 3.86Å; A115-L255 HydrophobicContact CB-CG 3.98Å; M116-L255 HydrophobicContact CG-CD1 4.22Å; M116-L255 HydrophobicContact CG-CD2 4.38Å; Q119-L255 HydrophobicContact CB-CD1 4.33Å; Q119-L255 VanDerWaalsContact OE1-CD1 3.22Å; V251-L255 HydrophobicContact CG1-CD1 4.27Å; V251-L255 WeakPolarHBondContact O-CG 3.27Å; V251-L255 PolarHBondContact O-N 2.63Å
256R94.1Very high92.4Very high146 Ų14660.4 Ų60.455%0.55129%0.294SS*.THydrogen-bonded Turntrans-87.3-13.1177.5-76.3172.1170.6-169.5-9.5113.9K252 H253 I254 K261K252-R256 VanDerWaalsContact O-CD 3.26Å; K252-R256 WeakPolarHBondContact O-CD 3.23Å; K252-R256 WeakPolarHBondContact O-CG 3.27Å; H253-R256 PolarHBondContact O-N 3.47Å; H253-R256 VanDerWaalsContact O-N 3.16Å; I254-R256 PolarHBondContact O-N 3.11Å; R256-K261 WeakPolarHBondContact O-CE 3.37Å
257Q93.2Very high91.7Very high56 Ų5657.2 Ų57.226%0.26228%0.278SS..SBendtrans-60139.9-175.1-70-170.2-5.800112.6H253 I254 Y259 I260 K261H253-Q257 PolarHBondContact O-N 3.38Å; I254-Q257 WeakPolarHBondContact O-CB 3.21Å; I254-Q257 PolarHBondContact O-N 2.68Å; Q257-Y259 VanDerWaalsContact C-N 3.28Å; Q257-Y259 PolarHBondContact O-N 3.37Å; Q257-I260 HydrophobicContact CB-CG1 4.43Å; Q257-I260 PolarHBondContact O-N 3.23Å; Q257-K261 PolarHBondContact O-N 3.11Å
258P92.4Very high91.1Very high112 Ų11255.2 Ų55.273%0.72727%0.267SS*.Hα-helixtrans-56.3-38.2-178-27.635.3000114.1K261 R262P258-K261 PolarHBondContact O-N 3.01Å; P258-R262 VanDerWaalsContact O-CB 3.31Å; P258-R262 WeakPolarHBondContact O-CB 3.44Å; P258-R262 PolarHBondContact O-N 2.71Å
259Y91.5Very high90.5Very high17 Ų1759.5 Ų59.57%0.06729%0.287CS..Hα-helixtrans-57.6-48.6174.9173.1-110.5000111.9E104 V108 H230 H232 L233 Q257 R262 Q263E104-Y259 PolarHBondContact OE1-OH 3.49Å; V108-Y259 HydrophobicContact CG2-CE1 4.35Å; H230-Y259 HydrophobicContact CB-CE2 4.01Å; H230-Y259 AromaticContact CG-CE2 3.94Å; H230-Y259 AromaticContact ND1-CD2 3.97Å; H230-Y259 AromaticContact ND1-CE2 3.79Å; H232-Y259 HydrophobicContact CB-CD1 4.13Å; H232-Y259 HydrophobicContact CB-CD2 3.83Å; H232-Y259 HydrophobicContact CB-CE2 4.35Å; H232-Y259 HydrophobicContact CB-CG 3.73Å; L233-Y259 HydrophobicContact CB-CE1 4.11Å; L233-Y259 HydrophobicContact CD1-CE1 4.41Å; Q257-Y259 VanDerWaalsContact C-N 3.28Å; Q257-Y259 PolarHBondContact O-N 3.37Å; Y259-R262 PolarHBondContact O-N 2.92Å; Y259-Q263 HydrophobicContact CD2-CG 4.45Å; Y259-Q263 HydrophobicContact CE2-CG 4.04Å; Y259-Q263 VanDerWaalsContact O-CG 3.3Å; Y259-Q263 WeakPolarHBondContact O-CG 3.43Å; Y259-Q263 PolarHBondContact O-N 2.68Å; Y259-Q263 PolarHBondContact OH-NE2 2.85Å
260I92Very high89.7Confident0 Ų059.2 Ų59.20%029%0.287CS..Hα-helixtrans-69.7-43.9-179.8-61.4-56.4000111.3V108 F111 V112 L236 Q257 R262 Q263 I264V108-I260 HydrophobicContact CG1-CD1 3.95Å; F111-I260 HydrophobicContact CD1-CD1 3.97Å; F111-I260 HydrophobicContact CE1-CD1 3.65Å; F111-I260 HydrophobicContact CE1-CG1 4.2Å; V112-I260 HydrophobicContact CG2-CG2 3.68Å; L236-I260 HydrophobicContact CD2-CD1 3.78Å; L236-I260 HydrophobicContact CD2-CG1 3.82Å; Q257-I260 HydrophobicContact CB-CG1 4.43Å; Q257-I260 PolarHBondContact O-N 3.23Å; I260-R262 VanDerWaalsContact C-N 3.3Å; I260-R262 PolarHBondContact O-N 3.42Å; I260-Q263 PolarHBondContact O-N 2.63Å; I260-I264 HydrophobicContact CG2-CD1 3.81Å; I260-I264 HydrophobicContact CG2-CG1 4.43Å; I260-I264 VanDerWaalsContact O-CG1 3.3Å; I260-I264 WeakPolarHBondContact O-CG1 3.37Å; I260-I264 PolarHBondContact O-N 3.21Å
261K90.1Very high88.9Confident73 Ų7358.9 Ų58.932%0.31729%0.287SS..Hα-helixtrans-55.5-43.5172.6-72.8-169.1174.9-168.30112.1R256 Q257 P258 I264 A265R256-K261 WeakPolarHBondContact O-CE 3.37Å; Q257-K261 PolarHBondContact O-N 3.11Å; P258-K261 PolarHBondContact O-N 3.01Å; K261-I264 PolarHBondContact O-N 3.14Å; K261-A265 PolarHBondContact O-N 2.74Å
262R89.1Confident88.2Confident159 Ų15964.3 Ų64.360%0.631%0.31SS*.Hα-helixtrans-63.9-44.9177.7-174.8-177.2178.1-160.20.3112.2P258 Y259 I260 A265 M266P258-R262 VanDerWaalsContact O-CB 3.31Å; P258-R262 WeakPolarHBondContact O-CB 3.44Å; P258-R262 PolarHBondContact O-N 2.71Å; Y259-R262 PolarHBondContact O-N 2.92Å; I260-R262 VanDerWaalsContact C-N 3.3Å; I260-R262 PolarHBondContact O-N 3.42Å; R262-A265 PolarHBondContact O-N 2.83Å; R262-M266 HydrophobicContact CG-CE 4.29Å; R262-M266 HydrophobicContact CG-SD 4.49Å; R262-M266 WeakPolarHBondContact O-CG 3.46Å; R262-M266 PolarHBondContact O-N 2.56Å
263Q86.6Confident87.2Confident23 Ų2364.8 Ų64.811%0.10731%0.314CS..Hα-helixtrans-63.9-41177.6-67.2-77.313.200111.8E104 V108 Y259 I260 M266 F267E104-Q263 PolarHBondContact OE1-NE2 3.12Å; V108-Q263 HydrophobicContact CB-CB 4.41Å; V108-Q263 HydrophobicContact CG1-CB 3.62Å; V108-Q263 HydrophobicContact CG1-CG 4.01Å; V108-Q263 HydrophobicContact CG2-CG 4.38Å; Y259-Q263 HydrophobicContact CD2-CG 4.45Å; Y259-Q263 HydrophobicContact CE2-CG 4.04Å; Y259-Q263 VanDerWaalsContact O-CG 3.3Å; Y259-Q263 WeakPolarHBondContact O-CG 3.43Å; Y259-Q263 PolarHBondContact O-N 2.68Å; Y259-Q263 PolarHBondContact OH-NE2 2.85Å; I260-Q263 PolarHBondContact O-N 2.63Å; Q263-M266 HydrophobicContact CG-CE 4.42Å; Q263-M266 PolarHBondContact O-N 2.9Å; Q263-F267 WeakPolarHBondContact O-CB 3.42Å; Q263-F267 PolarHBondContact O-N 3.47Å
264I83.6Confident86.2Confident46 Ų4666.9 Ų66.924%0.23632%0.322CS..Hα-helixtrans-61.3-46173.7-66.5166000110.8V112 I260 K261 M266 F267 L268V112-I264 HydrophobicContact CG1-CD1 3.86Å; V112-I264 HydrophobicContact CG1-CG1 4.18Å; V112-I264 HydrophobicContact CG2-CD1 4Å; V112-I264 HydrophobicContact CG2-CG1 4.05Å; I260-I264 HydrophobicContact CG2-CD1 3.81Å; I260-I264 HydrophobicContact CG2-CG1 4.43Å; I260-I264 VanDerWaalsContact O-CG1 3.3Å; I260-I264 WeakPolarHBondContact O-CG1 3.37Å; I260-I264 PolarHBondContact O-N 3.21Å; K261-I264 PolarHBondContact O-N 3.14Å; I264-M266 PolarHBondContact O-N 3.3Å; I264-F267 WeakPolarHBondContact O-CB 3.25Å; I264-F267 PolarHBondContact O-N 3.34Å; I264-F267 VanDerWaalsContact O-N 3.15Å; I264-L268 HydrophobicContact CG2-CD1 4.04Å; I264-L268 HydrophobicContact CG2-CG 4.47Å; I264-L268 WeakPolarHBondContact O-CG 3.13Å; I264-L268 PolarHBondContact O-N 3.09Å
265A86.1Confident85.2Confident48 Ų4870.9 Ų70.940%0.39735%0.346SS..Hα-helixtrans-60.3-47.2177.200000112.2K261 R262 F267 L268 E269K261-A265 PolarHBondContact O-N 2.74Å; R262-A265 PolarHBondContact O-N 2.83Å; A265-F267 PolarHBondContact O-N 3.28Å; A265-L268 PolarHBondContact O-N 3.26Å; A265-L268 VanDerWaalsContact O-N 3.13Å; A265-E269 PolarHBondContact O-N 3.06Å
266M84.4Confident84.2Confident82 Ų8272.2 Ų72.240%0.40436%0.361SS..Hα-helixtrans-62.9-28.9175.5-67.3-172.3-55.300112.9R262 Q263 I264 A270R262-M266 HydrophobicContact CG-CE 4.29Å; R262-M266 HydrophobicContact CG-SD 4.49Å; R262-M266 WeakPolarHBondContact O-CG 3.46Å; R262-M266 PolarHBondContact O-N 2.56Å; Q263-M266 HydrophobicContact CG-CE 4.42Å; Q263-M266 PolarHBondContact O-N 2.9Å; I264-M266 PolarHBondContact O-N 3.3Å; M266-A270 VanDerWaalsContact O-CB 3.24Å; M266-A270 WeakPolarHBondContact O-CB 3.3Å; M266-A270 PolarHBondContact O-N 2.84Å
267F80.2Confident83.1Confident51 Ų5171.5 Ų71.522%0.22436%0.361CS..Hα-helixtrans-68.7-45.3171.9177.8-89.7000112E109 Q263 I264 A265 T271E109-F267 HydrophobicContact CG-CD2 4.31Å; E109-F267 HydrophobicContact CG-CE2 3.98Å; E109-F267 HydrophobicContact CG-CZ 4.48Å; E109-F267 VanDerWaalsContact OE1-CE2 3.22Å; E109-F267 WeakPolarHBondContact OE1-CE2 3.49Å; E109-F267 WeakPolarHBondContact OE1-CZ 3.35Å; E109-F267 WeakPolarHBondContact OE2-CE2 3.26Å; Q263-F267 WeakPolarHBondContact O-CB 3.42Å; Q263-F267 PolarHBondContact O-N 3.47Å; I264-F267 WeakPolarHBondContact O-CB 3.25Å; I264-F267 PolarHBondContact O-N 3.34Å; I264-F267 VanDerWaalsContact O-N 3.15Å; A265-F267 PolarHBondContact O-N 3.28Å; F267-T271 HydrophobicContact CD1-CG2 4.44Å; F267-T271 HydrophobicContact CE1-CG2 3.95Å; F267-T271 HydrophobicContact CE2-CG2 4.27Å; F267-T271 HydrophobicContact CZ-CG2 3.84Å; F267-T271 WeakPolarHBondContact O-CG2 3.13Å; F267-T271 PolarHBondContact O-N 3.11Å; F267-T271 VanDerWaalsContact O-N 3.09Å; F267-T271 PolarHBondContact O-OG1 3.09Å
268L82.9Confident81.9Confident49 Ų4972.7 Ų72.726%0.25738%0.376SS..Hα-helixtrans-66.3-44.4-179.2-68.1172.6000112.3I264 A265 T271 K272 V362I264-L268 HydrophobicContact CG2-CD1 4.04Å; I264-L268 HydrophobicContact CG2-CG 4.47Å; I264-L268 WeakPolarHBondContact O-CG 3.13Å; I264-L268 PolarHBondContact O-N 3.09Å; A265-L268 PolarHBondContact O-N 3.26Å; A265-L268 VanDerWaalsContact O-N 3.13Å; L268-T271 WeakPolarHBondContact CA-OG1 3.4Å; L268-T271 PolarHBondContact O-N 2.91Å; L268-T271 PolarHBondContact O-OG1 3.09Å; L268-K272 WeakPolarHBondContact O-CG 3.41Å; L268-K272 PolarHBondContact O-N 3.45Å; L268-V362 HydrophobicContact CD2-CB 3.91Å; L268-V362 HydrophobicContact CD2-CG1 4.08Å; L268-V362 HydrophobicContact CD2-CG2 4.41Å
269E85.4Confident80.7Confident93 Ų9377.1 Ų77.144%0.43538%0.378SS..Hα-helixtrans-64.5-43.9176.1-59.9-37.6118.700111.9A265 T271 K272 E273A265-E269 PolarHBondContact O-N 3.06Å; E269-T271 PolarHBondContact O-N 3.42Å; E269-T271 VanDerWaalsContact O-N 3.17Å; E269-K272 VanDerWaalsContact CD-NZ 3.26Å; E269-K272 PolarHBondContact O-N 2.97Å; E269-K272 IonicContact OE1-NZ 2.72Å; E269-K272 PolarHBondContact OE1-NZ 3.06Å; E269-K272 WeakPolarHBondContact OE2-CD 3.32Å; E269-K272 IonicContact OE2-NZ 3.41Å; E269-K272 PolarHBondContact OE2-NZ 3.12Å; E269-K272 VanDerWaalsContact OE2-NZ 3.07Å; E269-E273 PolarHBondContact O-N 3.49Å
270A79.3Confident79.4Confident23 Ų2384.1 Ų84.119%0.1941%0.409CS..Hα-helixtrans-69.1-11.5177.100000114.5M266 K274M266-A270 VanDerWaalsContact O-CB 3.24Å; M266-A270 WeakPolarHBondContact O-CB 3.3Å; M266-A270 PolarHBondContact O-N 2.84Å; A270-K274 WeakPolarHBondContact O-CD 3.42Å; A270-K274 VanDerWaalsContact O-CG 3.28Å; A270-K274 WeakPolarHBondContact O-CG 3.36Å
271T79.8Confident77.7Confident46 Ų4692.6 Ų92.628%0.28245%0.446SS..Hα-helixtrans-95.1-36.8170.346.80000112.1F267 L268 E269 E273 K274 T275F267-T271 HydrophobicContact CD1-CG2 4.44Å; F267-T271 HydrophobicContact CE1-CG2 3.95Å; F267-T271 HydrophobicContact CE2-CG2 4.27Å; F267-T271 HydrophobicContact CZ-CG2 3.84Å; F267-T271 WeakPolarHBondContact O-CG2 3.13Å; F267-T271 PolarHBondContact O-N 3.11Å; F267-T271 VanDerWaalsContact O-N 3.09Å; F267-T271 PolarHBondContact O-OG1 3.09Å; L268-T271 WeakPolarHBondContact CA-OG1 3.4Å; L268-T271 PolarHBondContact O-N 2.91Å; L268-T271 PolarHBondContact O-OG1 3.09Å; E269-T271 PolarHBondContact O-N 3.42Å; E269-T271 VanDerWaalsContact O-N 3.17Å; T271-E273 VanDerWaalsContact C-N 3.32Å; T271-E273 PolarHBondContact O-N 3.04Å; T271-K274 PolarHBondContact O-N 3.29Å; T271-T275 PolarHBondContact O-N 3.15Å; T271-T275 PolarHBondContact O-OG1 2.89Å; T271-T275 VanDerWaalsContact O-OG1 3.13Å
272K81.7Confident76.1Confident117 Ų11793 Ų9351%0.50946%0.463SS..Hα-helixtrans-55.5-45.8165.7-71.9163171.7177.60111.5L268 E269 K274 T275 A276L268-K272 WeakPolarHBondContact O-CG 3.41Å; L268-K272 PolarHBondContact O-N 3.45Å; E269-K272 VanDerWaalsContact CD-NZ 3.26Å; E269-K272 PolarHBondContact O-N 2.97Å; E269-K272 IonicContact OE1-NZ 2.72Å; E269-K272 PolarHBondContact OE1-NZ 3.06Å; E269-K272 WeakPolarHBondContact OE2-CD 3.32Å; E269-K272 IonicContact OE2-NZ 3.41Å; E269-K272 PolarHBondContact OE2-NZ 3.12Å; E269-K272 VanDerWaalsContact OE2-NZ 3.07Å; K272-K274 PolarHBondContact O-N 2.75Å; K272-T275 PolarHBondContact O-N 3.42Å; K272-T275 PolarHBondContact O-OG1 3.13Å; K272-A276 VanDerWaalsContact O-CB 3.27Å; K272-A276 WeakPolarHBondContact O-CB 3.34Å; K272-A276 PolarHBondContact O-N 3.33Å
273E74.8Confident74.5Confident100 Ų10089.5 Ų89.547%0.46747%0.468SS..Hα-helixtrans-59.6-44.9176.4-86-165.8-134.400112.8E269 T271 A276 K277E269-E273 PolarHBondContact O-N 3.49Å; T271-E273 VanDerWaalsContact C-N 3.32Å; T271-E273 PolarHBondContact O-N 3.04Å; E273-A276 PolarHBondContact O-N 3.44Å; E273-K277 VanDerWaalsContact O-CB 3.25Å; E273-K277 WeakPolarHBondContact O-CB 3.5Å; E273-K277 WeakPolarHBondContact O-CD 3.37Å; E273-K277 WeakPolarHBondContact O-CG 3.28Å; E273-K277 PolarHBondContact O-N 2.82Å; E273-K277 IonicContact OE2-NZ 3.25Å; E273-K277 PolarHBondContact OE2-NZ 3.3Å
274K73.7Confident73Confident142 Ų14294.1 Ų94.162%0.61750%0.498SS*.Hα-helixtrans-65.6-41.9-178.9-74.8174-176.1-177.30111.5A270 T271 K272 S278A270-K274 WeakPolarHBondContact O-CD 3.42Å; A270-K274 VanDerWaalsContact O-CG 3.28Å; A270-K274 WeakPolarHBondContact O-CG 3.36Å; T271-K274 PolarHBondContact O-N 3.29Å; K272-K274 PolarHBondContact O-N 2.75Å; K274-S278 VanDerWaalsContact O-CB 3.29Å; K274-S278 WeakPolarHBondContact O-CB 3.41Å; K274-S278 PolarHBondContact O-N 3.27Å
275T75.1Confident71.1Confident83 Ų8394.2 Ų94.251%0.50951%0.51SS..Hα-helixtrans-69-40.6176.154.30000111.8T271 K272 S278 R279T271-T275 PolarHBondContact O-N 3.15Å; T271-T275 PolarHBondContact O-OG1 2.89Å; T271-T275 VanDerWaalsContact O-OG1 3.13Å; K272-T275 PolarHBondContact O-N 3.42Å; K272-T275 PolarHBondContact O-OG1 3.13Å; T275-S278 PolarHBondContact O-N 2.89Å; T275-R279 WeakPolarHBondContact O-CB 3.21Å; T275-R279 PolarHBondContact O-N 3.04Å
276A73.3Confident69.5Low50 Ų5098.6 Ų98.641%0.41353%0.534SS..Hα-helixtrans-64.3-43.2174.900000113K272 E273 R279 K280K272-A276 VanDerWaalsContact O-CB 3.27Å; K272-A276 WeakPolarHBondContact O-CB 3.34Å; K272-A276 PolarHBondContact O-N 3.33Å; E273-A276 PolarHBondContact O-N 3.44Å; A276-R279 PolarHBondContact O-N 3.23Å; A276-K280 PolarHBondContact O-N 2.75Å
277K69.7Low67.5Low131 Ų13197.7 Ų97.757%0.5755%0.546SS*.Hα-helixtrans-65.6-39.9176.1-73166.1178.1174.20111.4E273 K281E273-K277 VanDerWaalsContact O-CB 3.25Å; E273-K277 WeakPolarHBondContact O-CB 3.5Å; E273-K277 WeakPolarHBondContact O-CD 3.37Å; E273-K277 WeakPolarHBondContact O-CG 3.28Å; E273-K277 PolarHBondContact O-N 2.82Å; E273-K277 IonicContact OE2-NZ 3.25Å; E273-K277 PolarHBondContact OE2-NZ 3.3Å; K277-K281 WeakPolarHBondContact O-CB 3.28Å; K277-K281 PolarHBondContact O-N 2.83Å
278S69.2Low65.7Low81 Ų81103.2 Ų103.257%0.56658%0.578SS**Hα-helixtrans-60.8-48.8171-174.40000111.8K274 T275 K280 K281 A282K274-S278 VanDerWaalsContact O-CB 3.29Å; K274-S278 WeakPolarHBondContact O-CB 3.41Å; K274-S278 PolarHBondContact O-N 3.27Å; T275-S278 PolarHBondContact O-N 2.89Å; S278-K280 PolarHBondContact O-N 3.26Å; S278-K281 CarbonylContact O-C 3.35Å; S278-K281 PolarHBondContact O-N 2.91Å; S278-K281 VanDerWaalsContact O-N 3.1Å; S278-A282 PolarHBondContact O-N 3Å
279R67.3Low63.4Low205 Ų205106.8 Ų106.877%0.77461%0.605SS**Hα-helixtrans-64.1-36.9-179.4-156.9172.6-168.3172.22.7112.6T275 A276 A282 A283T275-R279 WeakPolarHBondContact O-CB 3.21Å; T275-R279 PolarHBondContact O-N 3.04Å; A276-R279 PolarHBondContact O-N 3.23Å; R279-A282 PolarHBondContact O-N 2.72Å; R279-A283 WeakPolarHBondContact O-CB 3.36Å; R279-A283 PolarHBondContact O-N 3.43Å
280K63.6Low61.2Low164 Ų164107.9 Ų107.971%0.71362%0.623SS**Hα-helixtrans-65.8-41.4170.6-75.4-172.6175.5-172.20112.4A276 S278 A282 A283 V284A276-K280 PolarHBondContact O-N 2.75Å; S278-K280 PolarHBondContact O-N 3.26Å; K280-A282 VanDerWaalsContact C-N 3.31Å; K280-A282 PolarHBondContact O-N 2.76Å; K280-A283 PolarHBondContact O-N 2.85Å; K280-V284 PolarHBondContact O-N 3.39Å
281K56.3Low59.6Low178 Ų178112.6 Ų112.677%0.77465%0.652SS**Hα-helixtrans-69.5-26176.6-167.9171.5-178.51790113.2K277 S278K277-K281 WeakPolarHBondContact O-CB 3.28Å; K277-K281 PolarHBondContact O-N 2.83Å; S278-K281 CarbonylContact O-C 3.35Å; S278-K281 PolarHBondContact O-N 2.91Å; S278-K281 VanDerWaalsContact O-N 3.1Å
282A56.5Low57.6Low82 Ų82116 Ų11668%0.67868%0.678SS**Hα-helixtrans-80.8-24.3172.100000113.5S278 R279 K280S278-A282 PolarHBondContact O-N 3Å; R279-A282 PolarHBondContact O-N 2.72Å; K280-A282 VanDerWaalsContact C-N 3.31Å; K280-A282 PolarHBondContact O-N 2.76Å
283A55.9Low55.3Low86 Ų86114.5 Ų114.571%0.71170%0.695SS**Hα-helixtrans-80.1-2417600000113.3R279 K280 G285R279-A283 WeakPolarHBondContact O-CB 3.36Å; R279-A283 PolarHBondContact O-N 3.43Å; K280-A283 PolarHBondContact O-N 2.85Å; A283-G285 PolarHBondContact O-N 3.1Å
284V54.7Low53.2Low120 Ų120113.1 Ų113.173%0.72771%0.708SS**SBendtrans-90.883.5170.1-175.70000108.9K280K280-V284 PolarHBondContact O-N 3.39Å
285G44.1Very low51.5Low47 Ų47112.2 Ų112.249%0.48572%0.72SS.*  trans-68167.7167.300000112.1A283 G287A283-G285 PolarHBondContact O-N 3.1Å; G285-G287 PolarHBondContact O-N 3.22Å
286P51.2Low49.6Very low140 Ų140113.7 Ų113.791%0.90973%0.733SS**  trans-72.787.8176.231.1-34000110.4
287G42.6Very low47.6Very low63 Ų63115 Ų11565%0.64975%0.751SS**  trans-82.1134.5169.500000111.2G285G285-G287 PolarHBondContact O-N 3.22Å
288D42.5Very low45.9Very low168 Ų168113.5 Ų113.590%0.89876%0.764SS**  trans-59.5141.9-179.4-73.9-67.9000113.4
289C36Very low44.1Very low124 Ų124115.1 Ų115.184%0.83878%0.775SS**  trans-12687.6173.5-78.20000110.7
290S39Very low42.4Very low116 Ų116116.6 Ų116.681%0.81178%0.78SS**  trans-160.9131.8159.1-81.90000108.7
291P45.4Very low41Very low122 Ų122115.9 Ų115.979%0.79278%0.779SS**  -137.612898.135.3-22.7000115.7
292S37.7Very low40.5Very low117 Ų117113 Ų11382%0.81878%0.778SS**  trans30.3124.3140.660.40000122.9
293G33.3Very low39.2Very low85 Ų85116 Ų11688%0.87678%0.777SS**  trans148.2119.6145.400000114.5
294G30.6Very low38.6Very low72 Ų72116.7 Ų116.774%0.74277%0.773SS**  cis176.5154.2-9.500000112.8
295S36.9Very low37.5Very low123 Ų123118.2 Ų118.286%0.8677%0.773SS**  trans64.8149.9175.2-139.60000116.4
296S35.8Very low36.7Very low114 Ų114124.8 Ų124.880%0.79779%0.788SS**  cis-151.4163.57.5-39.50000110.6
297G31.3Very low35.6Very low76 Ų76125.5 Ų125.578%0.78478%0.783SS**  trans129.581.7151.400000121.4
298A34.3Very low36.1Very low101 Ų101127.8 Ų127.884%0.83579%0.787SS**  trans46.8120.3139.500000125
299S31.8Very low36.2Very low114 Ų114125.4 Ų125.480%0.79778%0.78SS**  trans65.9132.8135.4-112.20000120.8
300R30.9Very low36.1Very low237 Ų237124.6 Ų124.689%0.89478%0.776SS**  cis-145.1166.720.1-75.5-176.8166.1177.1-5.2113.8
301H33.5Very low36.5Very low149 Ų149123.9 Ų123.969%0.6977%0.768SS**  trans-91.6-178.4171.5-90.2-14.8000112.5K303H301-K303 PolarHBondContact NE2-NZ 3.04Å
302P45.9Very low35.6Very low116 Ų116124.7 Ų124.775%0.75377%0.766SS**  cis-119.41721.517.98.2000114.2
303K29.4Very low35.1Very low147 Ų147125 Ų12564%0.63976%0.764SS**  cis70.9156.345.8-94.9173.3-175.8163.10113.6H301H301-K303 PolarHBondContact NE2-NZ 3.04Å
304P44.4Very low34.8Very low99 Ų99127.9 Ų127.964%0.64376%0.763SS**  cis-140.8148.91538.1-17.3000119.9
305Q31.2Very low34.6Very low153 Ų153128.5 Ų128.572%0.71576%0.762SS**  68.1167.1127.4-62.1175.7-6.500120.8
306K27.4Very low34.1Very low185 Ų185132.4 Ų132.480%0.80477%0.767SS**  cis-152.6163.915.5-148.7164.2-177.3-177.60114.6
307L28.7Very low33.6Very low155 Ų155131.1 Ų131.181%0.81276%0.763SS**  trans-147.4175.9171-90.5171000107.1
308P52.4Low33.5Very low111 Ų111136.5 Ų136.572%0.72176%0.764SS**  cis-119.6-133.1-20.837.1-15.5000108.2
309P45Very low33.1Very low118 Ų118139.9 Ų139.977%0.76676%0.763SS**  cis-129.5-166.5-27.437.3-16.4000114.7
310S32.8Very low33Very low106 Ų106146.4 Ų146.474%0.74177%0.77SS**  trans-84.6-176.3165.256.80000111.6
311P47Very low33Very low101 Ų101142 Ų14266%0.65676%0.76SS**  cis-147-160.41644.7-22.2000117.7
312N27.2Very low32.7Very low139 Ų139141.3 Ų141.374%0.74376%0.761SS**  trans83.4107.6154.3-69-1000123.7
313T27Very low32.1Very low125 Ų125142.5 Ų142.577%0.76775%0.754SS**  59.8148.4114.6-29.90000123.7
314V26.6Very low32.1Very low144 Ų144140.7 Ų140.787%0.87376%0.761SS**  trans94.9144.6164.4-168.30000115.9
315A26.7Very low31.4Very low86 Ų86145.9 Ų145.971%0.71177%0.767SS**  trans-113.5166.2-168.800000113
316Q26.1Very low31.2Very low205 Ų205146.7 Ų146.796%0.95877%0.771SS**  trans-165.3163.3132.3-110.7178.735.500115.1
317A26.5Very low31.4Very low87 Ų87145.3 Ų145.372%0.71977%0.767SS**  trans-76.2160.6-160.700000118.9
318K27.8Very low31.4Very low188 Ų188147.4 Ų147.482%0.81777%0.77SS**  -177.5113.2122-96.4157.3-177.8176.70110.2
319Q27.5Very low30.1Very low173 Ų173146.9 Ų146.981%0.80876%0.764SS**  68113.290-82.8-168.2-26.500116.5
320R29.2Very low29.4Very low250 Ų250148.3 Ų148.394%0.94376%0.761SS**  -162.7166.1110.3-104.3173.9-178.1-94-1.5111.1
321E30.5Very low29.2Very low146 Ų146150.3 Ų150.368%0.68276%0.763SS**  trans-116.3156.6-167-56.1170.172.300113.1K323E321-K323 VanDerWaalsContact CD-NZ 3.33Å; E321-K323 WeakPolarHBondContact OE1-CE 3.24Å; E321-K323 IonicContact OE1-NZ 3.19Å; E321-K323 PolarHBondContact OE1-NZ 3.16Å; E321-K323 IonicContact OE2-NZ 2.91Å
322D27.4Very low28.3Very low133 Ų133148.5 Ų148.571%0.71176%0.763SS**  -166133.1106.2-95.9-32.4000108.9
323K32.9Very low28.2Very low141 Ų141149.5 Ų149.561%0.61377%0.774SS**  60.6130.876-60.6-170.5-161.470.40112.5E321E321-K323 VanDerWaalsContact CD-NZ 3.33Å; E321-K323 WeakPolarHBondContact OE1-CE 3.24Å; E321-K323 IonicContact OE1-NZ 3.19Å; E321-K323 PolarHBondContact OE1-NZ 3.16Å; E321-K323 IonicContact OE2-NZ 2.91Å
324S29Very low28.4Very low110 Ų110147.8 Ų147.877%0.76977%0.773SS**  cis-120.315432.137.80000114.2
325R30.9Very low28.4Very low207 Ų207148.2 Ų148.278%0.78177%0.77SS**  61.5135.365.8-74.7-172.6177.2-174.6-0.5113.3
326E27.6Very low28.6Very low170 Ų170153.4 Ų153.479%0.79478%0.777SS**  cis-132.5146.421.6-67.3-174.2131.200113.2
327H29.8Very low29.3Very low156 Ų156148.9 Ų148.972%0.72277%0.765SS**  43.6136.399.4-57.9-71.9000116.2
328K28.9Very low30Very low200 Ų200150.7 Ų150.787%0.8777%0.77SS**  -149.615751.8-164.1176.8179.1179.60115.3
329T26.6Very low30Very low99 Ų99146.4 Ų146.461%0.60777%0.77SS**  trans-89.7179.1178.744.80000112.4
330Q29.5Very low30.2Very low149 Ų149146.3 Ų146.370%0.69677%0.773SS**  cis-168.61639.5-133.8161.8-32.100111.5
331N29.2Very low30.6Very low147 Ų147140.2 Ų140.279%0.78677%0.767SS**  trans59.2154.4152.4-59-21.9000120.1
332G26.6Very low30.4Very low63 Ų63138.2 Ų138.265%0.64977%0.769SS**  cis162.3168.2-10.500000114.5
333V27Very low30.4Very low160 Ų160139.7 Ų139.797%0.9777%0.771SS**  trans83.9151.2175.3-168.50000115.6
334A29.8Very low30Very low90 Ų90138 Ų13874%0.74478%0.783SS**  trans-131.9163.6-159.800000113.3
335D28Very low29.9Very low153 Ų153140.2 Ų140.282%0.81879%0.786SS**  trans-153.8175.1154.9-136.3-36.6000112.4
336F30.2Very low29.7Very low194 Ų194134.4 Ų134.485%0.85178%0.782SS**  trans-83.9161.2-160.1-83-99.8000117.7
337P40.6Very low30.4Very low111 Ų111131.6 Ų131.672%0.72178%0.778SS**  trans-103.9174.4-174.241.2-36000114.7
338P41.5Very low30.2Very low124 Ų124129.6 Ų129.681%0.80578%0.782SS**  trans-138.2142.9139.636.9-24.3000116.7
339A28.3Very low30.3Very low99 Ų99126 Ų12682%0.81878%0.776SS**  trans54.197.7143.600000121.9
340L31.3Very low30.2Very low170 Ų170127.6 Ų127.689%0.8978%0.781SS**  trans-130.3137.5137.6-93.3167.3000108.2
341P36.8Very low30.2Very low123 Ų123127.2 Ų127.280%0.79978%0.783SS**  trans-79.9151.7-16829.8-34.7000115.4
342S27.2Very low30Very low104 Ų104127.1 Ų127.173%0.72778%0.781SS**  trans-27.7126.6173.9-63.40000116.7
343Q27.3Very low30.1Very low164 Ų164133.1 Ų133.177%0.76679%0.79SS**  71.7128.769.7-70.1-179.211.400115.2
344A24Very low30.1Very low105 Ų105130.6 Ų130.687%0.86879%0.785SS**  trans-122.2140148.400000108.1
345L26.2Very low29.9Very low157 Ų157129.3 Ų129.382%0.82278%0.781SS**  trans-96.1156.6-170.2-78132.5000113.8
346A27.1Very low30.2Very low84 Ų84130.1 Ų130.169%0.69478%0.784SS**  trans-121.7-178155.600000107.3
347P43.7Very low30Very low111 Ų111125.8 Ų125.872%0.72178%0.778SS**  cis-138.6173.9-0.442.6-25.6000116.2
348S24.7Very low29.7Very low115 Ų115126 Ų12680%0.80478%0.779SS**  trans-178.8120.3146.334.40000107.5
349V31.6Very low28.9Very low123 Ų123126.3 Ų126.375%0.74577%0.773SS**  cis92130.742.9178.40000112.5
350D23.3Very low29Very low133 Ų133125.4 Ų125.471%0.71177%0.766SS**  trans60.1116.6-176.5-60.6-27000117.7
351I29.4Very low28.9Very low142 Ų142121.5 Ų121.573%0.72875%0.749SS**  cis78.495.538.4-49.9166.5000113.8
352L26.1Very low29Very low144 Ų144120 Ų12075%0.75474%0.737SS**  176.3150.7119.3-94-174.4000113.9
353K28.9Very low29.2Very low190 Ų190119 Ų11983%0.82673%0.73SS**  trans46.491.2154.4-67.2173.9-179.81710119.5
354A26.3Very low29.5Very low106 Ų106116.8 Ų116.888%0.87673%0.733SS**  trans-101.5100.2144.200000109.5
355G25.7Very low30.1Very low64 Ų64116.1 Ų116.166%0.6671%0.714SS**  trans-77.7132.2-177.400000113.1S357G355-S357 PolarHBondContact O-N 3.39Å; G355-S357 PolarHBondContact O-OG 2.68Å
356I34.2Very low30.1Very low170 Ų170116.1 Ų116.187%0.87272%0.715SS**  trans-62.7106.5177.1-57.5172.9000109.5P358I356-P358 WeakPolarHBondContact O-CD 3.16Å
357S25.2Very low30.5Very low103 Ų103116 Ų11672%0.7270%0.702SS**  trans-101.6109.1176.6-63.50000109.9G355 L359G355-S357 PolarHBondContact O-N 3.39Å; G355-S357 PolarHBondContact O-OG 2.68Å; S357-L359 VanDerWaalsContact C-N 3.33Å; S357-L359 PolarHBondContact O-N 3.42Å
358P34.1Very low29.9Very low115 Ų115117.4 Ų117.475%0.74770%0.703SS**  trans-80.678.2-179.233-34.8000110.8I356I356-P358 WeakPolarHBondContact O-CD 3.16Å
359L25.1Very low30.3Very low130 Ų130116.7 Ų116.768%0.68169%0.689SS**  trans-110.786.9175.1-169.169.2000110.9S357 T361S357-L359 VanDerWaalsContact C-N 3.33Å; S357-L359 PolarHBondContact O-N 3.42Å; L359-T361 VanDerWaalsContact C-N 3.27Å; L359-T361 PolarHBondContact O-N 2.68Å
360A31.4Very low30.3Very low81 Ų81116.9 Ų116.967%0.66969%0.693SS**  trans-76.480.6165.900000109.4V362A360-V362 PolarHBondContact O-N 2.83Å
361T28.2Very low30.6Very low88 Ų88117.3 Ų117.354%0.5470%0.695SS.*  trans-67118.5176.3-46.30000109.9L359 S363L359-T361 VanDerWaalsContact C-N 3.27Å; L359-T361 PolarHBondContact O-N 2.68Å; T361-S363 WeakPolarHBondContact CG2-OG 3.43Å; T361-S363 PolarHBondContact O-N 2.66Å
362V39Very low30.9Very low90 Ų90119.8 Ų119.855%0.54570%0.703SS.*  trans-77.576.4170.1-1740000108.6L268 A360 I365L268-V362 HydrophobicContact CD2-CB 3.91Å; L268-V362 HydrophobicContact CD2-CG1 4.08Å; L268-V362 HydrophobicContact CD2-CG2 4.41Å; A360-V362 PolarHBondContact O-N 2.83Å; V362-I365 HydrophobicContact CG1-CD1 4.28Å
363S32.5Very low31.1Very low84 Ų84120.4 Ų120.459%0.58771%0.706SS**  trans-145.849.3178.468.10000112.2T361T361-S363 WeakPolarHBondContact CG2-OG 3.43Å; T361-S363 PolarHBondContact O-N 2.66Å
364S32Very low31.2Very low118 Ų118116.1 Ų116.183%0.82570%0.7SS**  trans-15550.4170.1-68.10000110.5
365I36.9Very low31.4Very low90 Ų90118.4 Ų118.446%0.46270%0.698SS.*  trans-134.6106.1171-46.6177.8000107.1M116 V362 I367M116-I365 HydrophobicContact CE-CD1 3.74Å; V362-I365 HydrophobicContact CG1-CD1 4.28Å; I365-I367 VanDerWaalsContact C-N 3.33Å; I365-I367 HydrophobicContact CG2-CD1 4.23Å; I365-I367 HydrophobicContact CG2-CG1 3.73Å; I365-I367 PolarHBondContact O-N 2.76Å
366N27Very low31.4Very low157 Ų157119 Ų11984%0.8470%0.703SS**  trans-74.192.6170.1-73-1000108.2
367I35.7Very low31.2Very low83 Ų83117.8 Ų117.843%0.42670%0.704SS.*  trans-100.2106.2159.8-52.8-177.7000105.5I365 I369I365-I367 VanDerWaalsContact C-N 3.33Å; I365-I367 HydrophobicContact CG2-CD1 4.23Å; I365-I367 HydrophobicContact CG2-CG1 3.73Å; I365-I367 PolarHBondContact O-N 2.76Å; I367-I369 HydrophobicContact CG2-CD1 4.34Å; I367-I369 HydrophobicContact CG2-CG1 3.97Å; I367-I369 PolarHBondContact O-N 3.14Å
368D30Very low31.3Very low139 Ų139120.8 Ų120.874%0.74371%0.708SS**  trans-63.1122.9171.8-61.7-64.5000109.6
369I34.3Very low31Very low100 Ų100125.1 Ų125.151%0.51372%0.716SS.*  trans-130.597.1176.8-56.8175.8000107.4I367 L371I367-I369 HydrophobicContact CG2-CD1 4.34Å; I367-I369 HydrophobicContact CG2-CG1 3.97Å; I367-I369 PolarHBondContact O-N 3.14Å; I369-L371 HydrophobicContact CG2-CD1 4.35Å; I369-L371 HydrophobicContact CG2-CG 3.97Å; I369-L371 PolarHBondContact O-N 3.38Å
370P31.4Very low31.1Very low127 Ų127125.6 Ų125.683%0.82572%0.719SS**  trans-66.5100.4165.9-16.731.4000109
371L29.7Very low30.9Very low143 Ų143131.3 Ų131.375%0.74973%0.732SS**  trans-92.993.8170.6-92.5164.7000109.1I369I369-L371 HydrophobicContact CG2-CD1 4.35Å; I369-L371 HydrophobicContact CG2-CG 3.97Å; I369-L371 PolarHBondContact O-N 3.38Å
372Q35.7Very low30.8Very low193 Ų193132.9 Ų132.990%0.90274%0.741SS**  trans-90.1113.7156.2-75.4-164.9-3.600109.1
373L29.3Very low30.2Very low157 Ų157138 Ų13882%0.82276%0.759SS**  trans-139.5105.8160.1-96.8169000106.7
374S31.7Very low29.8Very low101 Ų101145.3 Ų145.371%0.70677%0.773SS**  trans-73.6136.9164.255.80000109.1
375D29.4Very low29.7Very low154 Ų154145.2 Ų145.282%0.82477%0.77SS**  -179.5110.2119.6-87.7-5.2000109.6
376G27.5Very low29.9Very low75 Ų75146.6 Ų146.677%0.77379%0.785SS**  trans-108.6101.5-179.200000111.4M378G376-M378 PolarHBondContact O-N 3.06Å
377V28.2Very low29.8Very low146 Ų146144.1 Ų144.189%0.88578%0.78SS**  trans-71.7112.4172.9178.10000109.6
378M28Very low29.4Very low165 Ų165147.3 Ų147.381%0.81380%0.803SS**  trans-69.8143.8177.4-81.2-171161.200113G376G376-M378 PolarHBondContact O-N 3.06Å
379K28.8Very low29.3Very low207 Ų207147.2 Ų147.290%0.980%0.798SS**  trans-119.2118.8154.1-79.1-172.8174.7-1780108.6
380N27.1Very low29.1Very low140 Ų140147.7 Ų147.775%0.74981%0.81SS**  trans-76139.7173.7-72-18.6000110.9
381Q26.8Very low28.9Very low201 Ų201150.2 Ų150.294%0.93980%0.803SS**  trans-141.2159144.1-115.4179.940.200109.7
382V26.6Very low28.8Very low121 Ų121155.6 Ų155.673%0.73381%0.813SS**  trans-123.4135.4-155.1174.60000110.5
383Q25.9Very low28.4Very low196 Ų196154.3 Ų154.392%0.91681%0.807SS**  trans-169.3168.9133.6-105.9162.767.900114.4
384R23.8Very low29.2Very low238 Ų238152.3 Ų152.390%0.89880%0.804SS**  trans-83.6154.8-168-80.8175.9165.5159.8-7.6114.2
385P30.6Very low29.2Very low116 Ų116150.3 Ų150.375%0.75380%0.799SS**  trans-96.9154.8156.338-32000113.2
386P40.5Very low29.3Very low119 Ų119148.3 Ų148.377%0.77379%0.793SS**  trans-116.3170.3136.237.9-29.4000109.5
387S25.9Very low29.5Very low106 Ų106152.9 Ų152.974%0.74179%0.794SS**  cis-176.4145.6-16.4490000108.6
388V25.6Very low29.7Very low149 Ų149153 Ų15390%0.90379%0.788SS**  trans-177.6153.3146.9140.50000109.6
389E29.5Very low29.6Very low138 Ų138151.1 Ų151.165%0.64579%0.786SS**  trans-89.1161.4-169.3-71.3176.376.700115.6R391E389-R391 IonicContact OE1-CZ 3.92Å; E389-R391 IonicContact OE1-NE 3.97Å; E389-R391 PolarHBondContact OE1-NE 2.86Å; E389-R391 IonicContact OE1-NH2 3.99Å; E389-R391 PolarHBondContact OE1-NH2 3.47Å; E389-R391 IonicContact OE2-NH2 2.7Å; E389-R391 PolarHBondContact OE2-NH2 2.87Å
390S28.5Very low29.5Very low109 Ų109146.6 Ų146.676%0.76278%0.778SS**  cis-163.3-87-17.1172.70000113.3
391R28.5Very low29.8Very low181 Ų181150.8 Ų150.868%0.68378%0.784SS**  cis-162.855.6-9.5-147.1156.1-138.6-135.77.8117.8E389E389-R391 IonicContact OE1-CZ 3.92Å; E389-R391 IonicContact OE1-NE 3.97Å; E389-R391 PolarHBondContact OE1-NE 2.86Å; E389-R391 IonicContact OE1-NH2 3.99Å; E389-R391 PolarHBondContact OE1-NH2 3.47Å; E389-R391 IonicContact OE2-NH2 2.7Å; E389-R391 PolarHBondContact OE2-NH2 2.87Å
392R26.9Very low30.1Very low255 Ų255146.6 Ų146.696%0.96277%0.768SS**  trans117151.4157-65-172.7173.4-174.4-2121.6
393E27.3Very low30.4Very low166 Ų166150.6 Ų150.678%0.77677%0.77SS**  trans-116.4-165.2-172.3-134.3-164.5-113.600110
394P46.6Very low30.7Very low116 Ų116150.8 Ų150.875%0.75377%0.768SS**  cis-96-170.716.842.2-40.5000113.7
395G31.3Very low31Very low59 Ų59144.3 Ų144.361%0.60877%0.765SS**  cis165.7-165.81.400000110.2
396T32Very low31Very low111 Ų111150.3 Ų150.368%0.68177%0.773SS**  cis-174.8142.5-18.416.70000110.3
397H31.9Very low30.3Very low171 Ų171156.6 Ų156.679%0.79278%0.781SS**  trans67.3146.2167.9-59.5-51.6000117.9
398I31.3Very low30.4Very low148 Ų148160.7 Ų160.776%0.75979%0.786SS**  cis-167.6156.4-2.1-114.9170.1000107
399V27Very low32Very low127 Ų127158 Ų15877%0.7777%0.771SS**  cis-158.8-151.5-11.169.90000108.8
400C26.3Very low32Very low111 Ų111158.4 Ų158.475%0.7578%0.778SS**  trans-145.6162-178.6-42.20000113.9
401R32.3Very low33.4Very low228 Ų228158.7 Ų158.786%0.8678%0.777SS**  trans156.2169.8145-91.7176.7170.1161.22.6113.4
402D34.7Very low33.4Very low114 Ų114156.1 Ų156.161%0.6179%0.787SS**  cis175.1164.8-32.7174.732.3000109.9
403R32.2Very low33.8Very low204 Ų204149.3 Ų149.377%0.7778%0.779SS**  trans85163.6160.4-49.2-170.2177.1-175.5-4.3121.3
404K31.8Very low35.2Very low200 Ų200146.8 Ų146.887%0.8778%0.776SS**  168.3128.5-53174.7173.2-170.6171.90112.3
405A29.3Very low35.8Very low103 Ų103146.8 Ų146.885%0.85178%0.776SS**  trans-152.9162177.400000114.2
406R30.4Very low37.3Very low241 Ų241149.1 Ų149.191%0.90978%0.781SS**  trans-173.6131.7178.3179.2176.6-179.6-108.710.8114
407R26.9Very low38.6Very low252 Ų252149 Ų14995%0.95178%0.782SS**  trans-161.2177.2161.1-108.5167.4-162.3-143.62.6113.4
408K28.9Very low38.7Very low192 Ų192147.6 Ų147.684%0.83579%0.785SS**  trans-159.5-179.6-162.9-99.6-162.8172.8-160.70109
409P58.1Low38.8Very low93 Ų93147.8 Ų147.860%0.60479%0.788SS**  cis-144.4-164.1-43.843.6-24.1000115.4
410D30.3Very low40.1Very low145 Ų145147.4 Ų147.478%0.77579%0.788SS**  trans82.4171.4153.2-56.2-17.7000121
411P58.2Low40.5Very low115 Ų115146.2 Ų146.275%0.74779%0.786SS**  -144.1177.2-98.140.3-17.3000119.7
412S27.2Very low40.6Very low128 Ų128142.6 Ų142.690%0.89578%0.783SS**  trans157.6169.5149.351.10000115.3
413S34.7Very low40.5Very low112 Ų112148.7 Ų148.778%0.78380%0.798SS**  trans-169.9-168179.566.90000110.7
414P58.3Low40.4Very low112 Ų112142.8 Ų142.873%0.72779%0.792SS**  cis-126.9-123.3-7.632.1-5.5000111.4
415P59.6Low40.2Very low116 Ų116142.7 Ų142.775%0.75380%0.795SS**  cis-125.9-90.3-26.922.74.5000121.2
416P61.4Low40.2Very low109 Ų109143.7 Ų143.771%0.70880%0.796SS**  trans-130.4-143.2-150.242.8-18.7000114
417P60.2Low40Very low109 Ų109135.3 Ų135.371%0.70879%0.785SS**  cis-140.9-166.4-14.731.6-5000117.7
418V33.8Very low40Very low141 Ų141130.3 Ų130.386%0.85578%0.782SS**  trans90.2152.7159-161.50000120.7
419N32.7Very low39.9Very low152 Ų152127 Ų12781%0.81378%0.782SS**  trans-132.3156.8-160.8-104.5-20.3000115.7
420P53.9Low38.5Very low118 Ų118127.8 Ų127.877%0.76680%0.795SS**  -149.5177.4105.441.1-24.6000115.2
421A34.9Very low38.4Very low87 Ų87133.1 Ų133.172%0.71981%0.805SS**  cis98.41387.100000116.6
422L35.4Very low36.9Very low152 Ų152131.2 Ų131.280%0.79681%0.806SS**  cis-160.6162.47.3-66.9176.3000115.4
423R32.4Very low37Very low242 Ų242129 Ų12991%0.91380%0.804SS**  trans67164.1147.3-82.7-177.2177-171.2-1.8122.3
424A29.6Very low36.8Very low80 Ų80131 Ų13166%0.66181%0.806SS**  cis-164.3139.8-11.800000110.9
425E28.5Very low35.5Very low197 Ų197132.1 Ų132.192%0.92180%0.801SS**  75.3143.195.1-68.9-155.6143.500122.8
426S28.2Very low34.1Very low124 Ų124136 Ų13687%0.86780%0.801SS**  trans78.1145.4162-153.20000120.2
427G27.3Very low32.6Very low66 Ų66137.2 Ų137.268%0.6881%0.806SS**  cis164.6167.7-11.700000116.8
428V27.3Very low31Very low147 Ų147135.2 Ų135.289%0.89181%0.806SS**  trans76.2153.1156.7-170.40000120.5
429C25.3Very low30.9Very low123 Ų123133.5 Ų133.583%0.83180%0.8SS**  trans-103.1163.5-169.3-28.70000114.9
430A29.7Very low30.8Very low108 Ų108134.4 Ų134.489%0.89381%0.805SS**  trans-163.5162.4146.100000115.9
431R28.1Very low29.5Very low257 Ų257131.8 Ų131.897%0.9780%0.799SS**  trans-75.2168.5-173.1-61.2165.1160.5-172.6-7.1117
432G26.3Very low29.4Very low76 Ų76135.9 Ų135.978%0.78481%0.808SS**  trans132.3138.3162.300000111.2
433G28.7Very low29Very low82 Ų82133.1 Ų133.185%0.84580%0.802SS**  cis93128.912.500000111.4
434D30.8Very low28.7Very low153 Ų153129.2 Ų129.282%0.81880%0.799SS**  cis-162.7168.5-2.7-156.7-13.2000109.2
435E31.1Very low28.7Very low136 Ų136131.6 Ų131.664%0.63681%0.805SS**  trans62.4173.7162.5-54.2-137.794.700119.6
436R31.4Very low28.7Very low198 Ų198128.6 Ų128.675%0.74779%0.791SS**  -167.4146.7-51.7-165.8-159.6-67-155.10.8110
437T29Very low29.7Very low133 Ų133128.4 Ų128.482%0.81679%0.787SS**  trans81.6139.1155.6-10.40000121.5
438G27.3Very low30Very low68 Ų68130.7 Ų130.770%0.70178%0.783SS**  trans94.2149.2151.700000117.9
439S31.3Very low31.5Very low105 Ų105129.2 Ų129.273%0.73478%0.777SS**  cis161.8113-43.753.10000109.4
440D29.5Very low31.6Very low171 Ų171127.3 Ų127.391%0.91478%0.778SS**  trans54.5143.3151.9-51.4-34.3000123.6
441G28.2Very low31.5Very low63 Ų63125.8 Ų125.865%0.64977%0.773SS**  trans132.796.917500000111.7
442L31.1Very low31.5Very low172 Ų172118.4 Ų118.490%0.90177%0.767SS**  64.513971.6-62.7172.9000114.2
443S27.7Very low31.6Very low95 Ų95126.3 Ų126.366%0.66477%0.773SS**  cis179.8142.5-19.949.10000109.5
444D27.1Very low32.9Very low159 Ų159128 Ų12885%0.8577%0.769SS**  trans-165.1151.6167.6-106.9-15.2000110.9
445V29.5Very low34.2Very low130 Ų130126.7 Ų126.779%0.78877%0.769SS**  cis-157.8164.5-40.9114.70000110
446Q28.4Very low34Very low134 Ų134124.5 Ų124.563%0.62677%0.774SS**  trans-83.4168.8-175.8-129-173.7-4.700113.6N448Q446-N448 PolarHBondContact NE2-OD1 3.11Å; Q446-N448 PolarHBondContact OE1-ND2 3.05Å
447P49.6Very low33.9Very low120 Ų120120.4 Ų120.478%0.77978%0.776SS**  -138.9162.466.829.6-7.5000115.8
448N32.8Very low34Very low114 Ų114120.7 Ų120.761%0.6178%0.777SS**  cis83.4153.335.4-106.711.3000115.7Q446Q446-N448 PolarHBondContact NE2-OD1 3.11Å; Q446-N448 PolarHBondContact OE1-ND2 3.05Å
449P58.4Low34.1Very low117 Ų117125.2 Ų125.276%0.7678%0.78SS**  cis-147-177.8-39.538.2-18.8000117
450G26.8Very low33.9Very low82 Ų82128.1 Ų128.185%0.84579%0.787SS**  trans142.4142.8149.700000116.6
451G27.8Very low33.9Very low77 Ų77128.6 Ų128.679%0.79478%0.784SS**  cis174145.6-12.500000115.3
452A29.7Very low33.9Very low102 Ų102133.4 Ų133.484%0.84380%0.795SS**  trans57.9139.9169.600000120.3
453R27.4Very low33.7Very low242 Ų242130.1 Ų130.191%0.91379%0.786SS**  cis70.1155.647.5-93.2-170.3171.3-168.9-1.2114.6
454P55.5Low33.7Very low116 Ų116133.2 Ų133.275%0.75379%0.79SS**  cis-105.9-139.40.142.8-30.8000111.4
455P57.9Low33.9Very low126 Ų126130.6 Ų130.682%0.81878%0.779SS**  cis-129.5-151.5-14.841.8-21000114.8
456A28.6Very low34.1Very low90 Ų90130.7 Ų130.774%0.74478%0.775SS**  trans-153.1157.7173.200000114.7
457S29.1Very low34.4Very low113 Ų113131.6 Ų131.679%0.7978%0.783SS**  trans34.2127.5156.762.10000123.5
458V29.4Very low33.5Very low138 Ų138128.6 Ų128.684%0.83677%0.774SS**  -178.8166.4124.5145.60000110.5
459E30.3Very low33.7Very low163 Ų163130.8 Ų130.876%0.76279%0.785SS**  trans-61.8155.9-168.6-58.9160.1110.700117.2
460N26.7Very low32.6Very low166 Ų166131.4 Ų131.489%0.88878%0.783SS**  -158.7150.7121.3-108.6-21.5000111.4
461Q30.8Very low32.9Very low181 Ų181133.6 Ų133.685%0.84678%0.779SS**  trans-95.3147.8165.2-58.7174.421.400108.3
462D26.5Very low33.2Very low164 Ų164133.3 Ų133.388%0.87778%0.777SS**  trans-161.1170.8130.3-128.3-38.4000112
463S27.7Very low33.5Very low103 Ų103136.7 Ų136.772%0.7278%0.775SS**  trans-120-142.1-177.166.20000112.2
464H28.2Very low33.6Very low160 Ų160131.7 Ų131.774%0.74177%0.766SS**  trans79.4110.1-179.7-128.7-90.2000115.6
465V30.5Very low32.2Very low104 Ų104133.5 Ų133.563%0.6377%0.768SS**  80.9130.753.7174.40000110.1
466D33.9Very low31Very low132 Ų132137.1 Ų137.171%0.70677%0.766SS**  cis-162.2-177.940.7-145.5-16.8000116.3
467I34.7Very low31Very low153 Ų153139.6 Ų139.679%0.78576%0.762SS**  trans73.1136.4154.9-63.6151000118.1
468G31.5Very low31Very low57 Ų57138.5 Ų138.559%0.58876%0.76SS**  cis155.8145.2-9.600000114.7
469D36.8Very low31Very low160 Ų160140 Ų14086%0.85676%0.757SS**  trans61.3160157.5-55.5-31.7000120.1
470D35.5Very low31Very low131 Ų131138.8 Ų138.870%0.70176%0.755SS**  cis-149.2162.113.3-151.2-32.7000113.6
471T33.2Very low31.1Very low127 Ų127138.1 Ų138.178%0.77975%0.752SS**  trans30.7134.4157.123.90000121.5
472G34.3Very low31Very low72 Ų72134.3 Ų134.374%0.74275%0.746SS**  cis-165.2-156.82.800000108
473E35.5Very low30.9Very low173 Ų173134.3 Ų134.381%0.80875%0.746SS**  cis-163.7-176-10.3-119.5-167.5139.600105.4
474L29.5Very low30.9Very low136 Ų136133.3 Ų133.371%0.71274%0.744SS**  cis-153.8-161.910.1-137.2176.1000108.3
475L26.7Very low30.9Very low154 Ų154134.4 Ų134.481%0.80675%0.749SS**  trans-143.9148177.3-75.3165.1000112.6
476R31.6Very low30.6Very low203 Ų203135.8 Ų135.877%0.76675%0.753SS**  trans175.2148.9136-100.4167.5178.9-94.9-8.6115.2
477E29.6Very low30.4Very low141 Ų141135.1 Ų135.166%0.65975%0.753SS**  trans44.4121.8146.7-70.6133.7-160.200119.8
478A29.1Very low29.9Very low90 Ų90136.8 Ų136.874%0.74476%0.755SS**  75.4146.262.900000112.9
479E27.7Very low29.7Very low169 Ų169139.3 Ų139.379%0.7976%0.759SS**  cis-142.3139.824.2-74.4-173.8133.500112.8
480L32.2Very low29.2Very low138 Ų138138.7 Ų138.772%0.72376%0.755SS**  68.1113.3100.1-54.5173000119.4
481N27.4Very low28.9Very low152 Ų152140.7 Ų140.781%0.81376%0.76SS**  165.7143112.6-86.4-35.8000111.3
482S28.3Very low28.6Very low102 Ų102140.5 Ų140.571%0.71376%0.764SS**  cis-162.2160.5-12.952.10000110.6
483N25.2Very low28.6Very low164 Ų164141.4 Ų141.488%0.87777%0.765SS**  trans-48.4165.3177.2-42.5-32.8000114.1
484A28.1Very low28.5Very low82 Ų82140.6 Ų140.668%0.67877%0.766SS**  cis-166.8173.724.300000112.9
485E27.2Very low28.8Very low182 Ų182137.9 Ų137.985%0.8576%0.758SS**  trans64.5154.7149.1-74.8-172.5164.200120.3
486N25.3Very low29.1Very low133 Ų133137.6 Ų137.671%0.71176%0.758SS**  cis-164.1174-29.5-154.3-17.8000109.5
487V28.2Very low29Very low118 Ų118136 Ų13672%0.71576%0.764SS**  trans6098.3158.9-172.90000120.2
488K24.2Very low29.2Very low189 Ų189135.9 Ų135.982%0.82277%0.768SS**  28.3140.3115.2-143.1-163.8175.2-1730121.5
489V27Very low29.5Very low110 Ų110136.8 Ų136.867%0.66777%0.765SS**  trans95.8121.9153.4-175.40000119.4
490D26.5Very low29.8Very low146 Ų146134.1 Ų134.178%0.78176%0.76SS**  trans46.4156.3149.8-77.4-54.1000127.2
491E30.7Very low29.8Very low173 Ų173133 Ų13381%0.80876%0.759SS**  trans66.1131.9146.9-83.2-166.1130.300124.8
492S27.2Very low30.1Very low123 Ų123132.3 Ų132.386%0.8675%0.754SS**  trans79.4173.5147.379.20000118.4
493A33.4Very low30.1Very low91 Ų91133.1 Ų133.175%0.75275%0.75SS**  trans-138.3-166.2-158.900000111.3
494D32.7Very low30.1Very low156 Ų156134.7 Ų134.783%0.83475%0.748SS**  trans77.4144.7-174.7-86.1-26.2000116.1
495S36.8Very low30Very low80 Ų80134.2 Ų134.256%0.55975%0.752SS**  cis-162.2166.1-17.5-140.20000110.6
496N32.6Very low29.7Very low148 Ų148132.4 Ų132.479%0.79175%0.753SS**  trans50.5126.7159.8-57.4-42.9000119.7
497N29.5Very low30.7Very low169 Ų169131.4 Ų131.490%0.90475%0.754SS**  -151154.1108.3-140.9-13000110.9
498D34Very low30.5Very low139 Ų139130.5 Ų130.574%0.74376%0.759SS**  trans-145.5156.2-166.1-162.76000113.2
499T35.6Very low30.6Very low109 Ų109129.4 Ų129.467%0.66976%0.756SS**  trans69.8131.5164.4-33.60000119
500V34.5Very low30.6Very low113 Ų113131.2 Ų131.269%0.68576%0.761SS**  154.579.8121.21750000113.1
501T31.6Very low30.5Very low115 Ų115132.6 Ų132.671%0.70676%0.763SS**  trans66.6-179.2138.5710000119.3
502L32.6Very low30.3Very low136 Ų136131.5 Ų131.571%0.71276%0.76SS**  cis-158.7131.212.7-158.158.4000114.5
503I29.3Very low30.8Very low120 Ų120131.5 Ų131.562%0.61576%0.756SS**  trans66.5126141-75.5-179.9000124.3
504K26.1Very low30.3Very low196 Ų196134.1 Ų134.185%0.85276%0.758SS**  trans53.6156.3145.1-62.9170.8-158.2169.40120.2
505G24Very low30.1Very low73 Ų73132.2 Ų132.275%0.75375%0.752SS**  cis-179177-0.800000114.4
506T22.8Very low29.5Very low143 Ų143135 Ų13588%0.87776%0.76SS**  trans-76.9-174.9179.719.70000114.2
507P44.8Very low29.3Very low113 Ų113134.6 Ų134.673%0.73476%0.758SS**  cis-139.3177.3-0.937.5-17.2000118.2
508A25.3Very low29.1Very low98 Ų98130.8 Ų130.881%0.8175%0.745SS**  trans61.9175.214400000121.5
509H26.3Very low28.8Very low166 Ų166131 Ų13177%0.76975%0.745SS**  -175.9153.7-51.1-164.5-84.9000108.1
510L27.2Very low28.4Very low148 Ų148133.1 Ų133.178%0.77575%0.747SS**  trans72.2158.5-174.5-48.1176.2000113.5
511H23.8Very low28.1Very low175 Ų175133.7 Ų133.781%0.8175%0.752SS**  cis-146.8166.820.3-160.1-84.7000113
512M25.3Very low28Very low151 Ų151134.7 Ų134.774%0.74476%0.757SS**  trans-88.9164.7176.1-62.2-131.371.600113.7
513P37.9Very low27.8Very low122 Ų122135.9 Ų135.979%0.79276%0.759SS**  -126.5-168.111039-33.3000114.3
514N24Very low27.7Very low147 Ų147137.6 Ų137.679%0.78676%0.762SS**  trans-150.9-174.7-157.4-174.825.9000111.1
515V27.9Very low27.7Very low115 Ų115135.7 Ų135.770%0.69776%0.761SS**  trans83.6135.6164.1-1790000114.7
516D25Very low27.9Very low139 Ų139140.8 Ų140.874%0.74377%0.77SS**  cis-152.4-171.61.3-137.8-30.7000114
517D27.2Very low28Very low140 Ų140140.4 Ų140.475%0.74976%0.758SS**  trans73.8146.8155-88.6-38.1000120
518S25.2Very low27.2Very low89 Ų89144.5 Ų144.562%0.62276%0.759SS**  cis-160.3162.3-17.4-1360000113.3
519L28.4Very low27.5Very low143 Ų143146 Ų14675%0.74976%0.761SS**  trans-4.6157154.4-60.4176.9000121.2
520E26.6Very low27.4Very low153 Ų153142.1 Ų142.172%0.71576%0.757SS**  cis-177.6-176.6-13-172.6175.2-127.800109.3
521T28.4Very low27.4Very low126 Ų126142 Ų14277%0.77376%0.762SS**  trans88.8160.2155.570.50000121.1
522T29.5Very low27.5Very low135 Ų135142.1 Ų142.183%0.82876%0.763SS**  trans-134.7150.1-170.754.10000110.1
523E28.2Very low27.8Very low161 Ų161139.8 Ų139.875%0.75276%0.759SS**  trans-158.4165.5147.8-120.7-170.7163.200117.1
524K27.7Very low27.2Very low156 Ų156141.1 Ų141.168%0.67877%0.765SS**  trans-32.1137-179.7-70.2148.6-167.4159.20117.2
525L26.5Very low27.2Very low157 Ų157142.2 Ų142.282%0.82277%0.765SS**  64.3112.472.4-82.5171000115.2
526L27.8Very low27.6Very low179 Ų179146.4 Ų146.494%0.93778%0.777SS**  trans-151146.9150.1-112.6170.4000109
527E25.9Very low27.4Very low135 Ų135147 Ų14763%0.63178%0.775SS**  trans-111.7155.2-172.7-75.1-166.779.700114
528R27.2Very low27.2Very low200 Ų200144.3 Ų144.376%0.75577%0.768SS**  trans31.3136.4139.9-62.7174.8164.3128.9-13.1119.6
529P32.4Very low27.2Very low130 Ų130144.5 Ų144.584%0.84477%0.769SS**  -116.5141.183.5-3.924000111.7
530A23.7Very low27.1Very low84 Ų84143.3 Ų143.369%0.69477%0.772SS**  cis90.287.944.300000114.4
531V27.1Very low27.1Very low146 Ų146142.7 Ų142.789%0.88577%0.773SS**  trans-139.9131.4140.1-179.10000107.5
532E25.7Very low26.8Very low176 Ų176148.2 Ų148.282%0.82278%0.78SS**  trans-130.1163.9165.7-93.1-171-14000107.7
533P31.1Very low26.6Very low103 Ų103147.7 Ų147.767%0.66977%0.771SS**  cis-125.3170-27.137.2-23.5000111.6
534V24.9Very low26.4Very low150 Ų150149.3 Ų149.391%0.90978%0.775SS**  trans-135.8135.9158.1-177.60000108
535E25Very low26.2Very low169 Ų169152.5 Ų152.579%0.7978%0.783SS**  trans-90.8133.5-160.6-57.4175.2137.300113.3E537E535-E537 PolarHBondContact O-N 3.47Å
536E35.6Very low26.5Very low203 Ų203151.5 Ų151.595%0.94978%0.779SS**  trans-86.182149.6-82.4-160.4125.300109
537E22Very low27.3Very low152 Ų152148.9 Ų148.971%0.7177%0.772SS**  trans-149127.7164.3-102.2-78.4153.500111.1E535E535-E537 PolarHBondContact O-N 3.47Å
538S23.2Very low27.2Very low84 Ų84147.2 Ų147.259%0.58778%0.782SS**  trans55.9116.6137.1-77.20000124.5
539S25.5Very low27.2Very low93 Ų93143.8 Ų143.865%0.6578%0.783SS**  71117.8112.4-54.20000121.4
540S24.6Very low26.9Very low117 Ų117143.9 Ų143.982%0.81878%0.781SS**  trans-136.2118.913147.30000108.1
541L26.4Very low27.1Very low140 Ų140145.4 Ų145.473%0.73379%0.786SS**  cis62.9117.839.1-69.6169.3000115.1
542W23.3Very low26.9Very low243 Ų243148 Ų14892%0.9279%0.788SS**  -155.1144.2124.8-82.8-10.1000107.8
543I25.8Very low27.1Very low124 Ų124147 Ų14764%0.63679%0.788SS**  cis-152.9140.7-6.3-119.3162000111.2
544K22.8Very low28.1Very low194 Ų194146.4 Ų146.484%0.84379%0.785SS**  trans44.7139.7155.6-61.5-179.5178.7178.60123.4
545R23.7Very low28.1Very low223 Ų223147.3 Ų147.384%0.84278%0.779SS**  trans-99.8162.1159.1-85.3-175177.1122.3-2.3111.8
546D33.1Very low28.1Very low136 Ų136145.9 Ų145.973%0.72778%0.775SS**  trans16.2151.6130.6-26.2-43.9000119.7
547P44.5Very low27.5Very low124 Ų124143.1 Ų143.181%0.80577%0.766SS**  -155160.581.340.6-22.5000118.1
548A23.7Very low27.6Very low101 Ų101142 Ų14284%0.83577%0.774SS**  trans-172.2158.7138.700000111.4
549T27.9Very low27.7Very low127 Ų127146.2 Ų146.278%0.77978%0.784SS**  trans-149.9164-139.9-32.50000115.8
550V25.4Very low28.9Very low133 Ų133146.8 Ų146.881%0.80679%0.786SS**  trans90.3141.1158.7-170.70000118.6
551C27.5Very low29Very low116 Ų116147.1 Ų147.178%0.78479%0.788SS**  trans-82.5157.5-179.6-44.40000114.4
552Q24.1Very low29.3Very low200 Ų200144.2 Ų144.294%0.93579%0.792SS**  trans-159.5159.3144.3-117.2166.554.700112.7
553N28.6Very low29.5Very low155 Ų155137.7 Ų137.783%0.82978%0.783SS**  trans-165.5157.7-178.5-155.821.3000106
554P53.3Low30Very low91 Ų91139.4 Ų139.459%0.59179%0.789SS**  cis-132.4-159.12.137.3-14.9000114.2
555Q24.9Very low30.5Very low169 Ų169137 Ų13779%0.7978%0.781SS**  trans72.3157.4166.9-66.6-179.53.900115.5
556I24.4Very low30.7Very low138 Ų138135 Ų13571%0.70878%0.78SS**  cis-159.4165.2-3.1-120163000106.8
557L23.9Very low30.5Very low145 Ų145140.6 Ų140.676%0.75979%0.791SS**  cis177.1132.9-36.5169.469.5000106.8
558C22.9Very low29.6Very low129 Ų129138.1 Ų138.187%0.87279%0.788SS**  trans-162.2136.8162.3-114.30000115.8
559E25.2Very low29.8Very low172 Ų172141.4 Ų141.480%0.80479%0.788SS**  trans-106-148.4164.3-53.4-170.9134.400108.2
560P51Low29.9Very low106 Ų106142.3 Ų142.369%0.68879%0.787SS**  cis-139.2-176.6-16.537.5-17.3000116
561S26.9Very low30Very low123 Ų123145.2 Ų145.286%0.8679%0.79SS**  trans-154.8140138.6-80.30000111.5
562G31.2Very low30.1Very low79 Ų79146.3 Ų146.381%0.81479%0.788SS**  trans-78.4-171.7178.500000113.9
563S28.6Very low31.1Very low106 Ų106141.2 Ų141.274%0.74177%0.772SS**  cis-149142.330.8590000111.9
564E36.6Very low31.1Very low160 Ų160139.1 Ų139.175%0.74877%0.765SS**  56143.798-57-157.297.700116.9
565Q32.1Very low30Very low145 Ų145144.2 Ų144.268%0.67878%0.778SS**  cis-161.4143.711.9-133173.548.400114.3
566H29.3Very low30.1Very low181 Ų181140.4 Ų140.484%0.83878%0.784SS**  trans47.9159.4148.3-84.6-50.4000127.8
567R28.4Very low30.2Very low253 Ų253137.1 Ų137.196%0.95578%0.784SS**  trans70.3143.1178.4-76.2-174.6168.1-168.5-2.8117.9
568G25.4Very low30.5Very low72 Ų72138.6 Ų138.674%0.74279%0.787SS**  cis158.9138.7-1500000116.7
569M28.1Very low30.9Very low169 Ų169141.4 Ų141.483%0.83378%0.784SS**  trans79155.3163.7-74.7-157.269.400122.5
570L30.4Very low31.2Very low146 Ų146142.1 Ų142.176%0.76479%0.787SS**  trans-79.9161.2175.6-64.762.3000111.5
571F27.2Very low30.3Very low194 Ų194145.7 Ų145.785%0.85180%0.8SS**  -179.3165.6118.2-109.2-75.8000113.1
572D29.4Very low30.4Very low140 Ų140144.4 Ų144.475%0.74980%0.797SS**  trans-155.8153.2172.7-162.849.7000105.1
573P45.8Very low30.6Very low92 Ų92145.4 Ų145.460%0.59780%0.798SS**  cis-148.5-168.529.445.6-24.9000117.9
574T27.7Very low30.7Very low112 Ų112145.9 Ų145.969%0.68780%0.801SS**  trans82.2133.1148.549.20000123.2
575K30.4Very low30.7Very low198 Ų198150 Ų15086%0.86181%0.809SS**  trans70.695.7138.9-71.3172.7178178.20121.1
576G26.3Very low31Very low89 Ų89148.8 Ų148.892%0.91881%0.814SS**  95.9139.810100000119.6
577G27.1Very low31.3Very low69 Ų69147.7 Ų147.771%0.71181%0.814SS**  trans154.887.7168.100000117.3
578H30.3Very low31.6Very low176 Ų176141.7 Ų141.782%0.81581%0.807SS**  trans42.7126.5149.5-60.7-69.5000124.2
579K32.3Very low32.1Very low188 Ų188149.6 Ų149.682%0.81782%0.815SS**  trans57.7100136.7-62178.4178.8179.50119.9
580Q30.5Very low32.7Very low186 Ų186147 Ų14787%0.86981%0.81SS**  -155.1138.8121.9-154.594.135.900109.7
581L32.7Very low33.2Very low181 Ų181146.1 Ų146.195%0.94881%0.813SS**  trans-106124.1164.2-84.5165.8000108
582A29.8Very low33.4Very low97 Ų97142.9 Ų142.980%0.80281%0.81SS**  trans-143.7147.7173.500000109.4
583A33.7Very low33.5Very low100 Ų100144.9 Ų144.983%0.82682%0.815SS**PPolyproline II helixtrans-94.1164.4-156.400000115.6
584S32Very low32.7Very low115 Ų115145 Ų14580%0.80482%0.824SS**PPolyproline II helixtrans-61.6146.8171.5420000113
585R35.1Very low32.8Very low246 Ų246144.4 Ų144.493%0.92883%0.83SS**PPolyproline II helixtrans-77.8133.1-177.7-149.2178-166-165.44.4110.7
586P40.2Very low32.6Very low120 Ų120139.3 Ų139.378%0.77983%0.825SS**PPolyproline II helixtrans-87.8163.4-168.7-1028.9000115.4
587L34.5Very low32.8Very low159 Ų159141.2 Ų141.283%0.83282%0.818SS**PPolyproline II helixtrans-71.1158.3164.5-72.1165.8000111.8
588P35.9Very low32.9Very low126 Ų126144.1 Ų144.182%0.81881%0.814SS**PPolyproline II helixtrans-67.3156.5-177.227.3-35.7000114
589R35.3Very low32.8Very low238 Ų238144.3 Ų144.390%0.89881%0.807SS**  trans-110.9155.4179.7-74.7-176174.6-173.8-1.6112.2
590P40.5Very low32.6Very low114 Ų114142.8 Ų142.874%0.7480%0.801SS**  trans-78.8166.3173.235-37.1000112.8
591P41.1Very low32.5Very low128 Ų128143.7 Ų143.783%0.83180%0.796SS**  trans-92.3133.7-179.834.7-33.5000114.9
592T30.5Very low32.2Very low127 Ų127144.8 Ų144.878%0.77979%0.788SS**  trans-152.4156.4160.7-70000105.1
593E31.9Very low32Very low181 Ų181146.3 Ų146.385%0.84678%0.781SS**  cis-165.3149.414.6-173.9168.3-118.200109.3
594A29Very low31.7Very low96 Ų96150.6 Ų150.679%0.79378%0.781SS**  trans179.1159.8155.800000111.9
595A29.1Very low31.7Very low98 Ų98153.9 Ų153.981%0.8178%0.781SS**  cis178.993.6-47.800000110.2
596A27.5Very low31.6Very low92 Ų92148.9 Ų148.976%0.7677%0.772SS**  trans-171.9132170.400000108.9
597V31.1Very low31.1Very low128 Ų128149.8 Ų149.878%0.77678%0.775SS**  cis69111.210.1-169.70000112.4
598E28.2Very low31.2Very low131 Ų131150.3 Ų150.361%0.61277%0.774SS**  cis-155.2152.19.9-136.3-171.778.400116.5
599R28.3Very low31.3Very low179 Ų179149.1 Ų149.168%0.67577%0.768SS**  trans42.5129.3145.1-82.5-180-153.9142.7-3.4123.7
600K27Very low31.6Very low157 Ų157146.1 Ų146.168%0.68376%0.761SS**  89117.9127.2-77.1171.7179.2167.40121.8
601R28.4Very low31.5Very low204 Ų204150 Ų15077%0.7776%0.762SS**  94.4128.3125-80.1177.5170.3-177.4-3.5121.1
602R26.6Very low31.2Very low205 Ų205150.3 Ų150.377%0.77476%0.76SS**  100.9126.1127.7-90.1179.8165.1-175.5-4.6121.3
603I26.8Very low31.4Very low129 Ų129149.9 Ų149.966%0.66275%0.754SS**  trans98.3134131.4-74.2167.5000120.6
604K26.4Very low31.7Very low189 Ų189145.9 Ų145.982%0.82275%0.751SS**  trans61.3134.5169.1-79.1167-179.8-177.20117.2
605K32.3Very low31.8Very low185 Ų185147.6 Ų147.680%0.80475%0.752SS**  cis83.912811.4-154.5-176.3-178.1-1760117.1
606N33.6Very low32Very low140 Ų140147.6 Ų147.675%0.74975%0.752SS**  trans70.4151.7179.8-83.240.7000114.9
607V29.6Very low32.2Very low140 Ų140147.5 Ų147.585%0.84875%0.751SS**  cis-134.5163.535.11680000114
608E35.4Very low32.3Very low170 Ų170146 Ų14679%0.79475%0.747SS**  trans-135.2148.5177.7173.4-164.7161.200109.5
609S39.3Very low32.4Very low100 Ų100146.1 Ų146.170%0.69976%0.756SS**  trans176.8126.8148.1-89.30000116.8
610K42.1Very low32.7Very low175 Ų175142.4 Ų142.476%0.76176%0.758SS**  58.2149.2129.3-79.6178177.6171.70121.7
611R37.5Very low32.9Very low197 Ų197141.2 Ų141.274%0.74376%0.764SS**  cis-164.5-172.2-7.2-142.4-175.9-170.7-178.50.6110.4D613R611-D613 IonicContact NE-OD2 3.98Å
612V35.8Very low33Very low133 Ų133136.3 Ų136.381%0.80676%0.761SS**  trans91.8141.6175.5-170.30000114.1
613D34.5Very low33.2Very low119 Ų119131.5 Ų131.564%0.63676%0.758SS**  -179.7166.4-77.9-77.9-48.8000108.6R611R611-D613 IonicContact NE-OD2 3.98Å
614A36.6Very low33.4Very low96 Ų96130.5 Ų130.579%0.79376%0.762SS**  trans75.7144.5175.100000118.2
615T32Very low33.6Very low132 Ų132129.7 Ų129.781%0.8176%0.759SS**  cis-155.6145.50-14.70000112.4
616A33.6Very low33.4Very low98 Ų98127.3 Ų127.381%0.8176%0.755SS**  trans53.9161.815600000120
617A31.8Very low33.1Very low91 Ų91124.1 Ų124.175%0.75276%0.756SS**  cis-166.4-179.6-37.800000105.9
618S32.6Very low33.1Very low97 Ų97126 Ų12668%0.67876%0.76SS**  cis-155.8166.69.9-68.50000109.9
619T31.2Very low32.9Very low132 Ų132125.7 Ų125.781%0.8176%0.763SS**  trans42.7137.3144.751.90000122.3
620S32.7Very low33Very low102 Ų102126.3 Ų126.371%0.71377%0.765SS**  cis-177.1-172.41.747.10000108.3
621V31.8Very low32.5Very low132 Ų132125.7 Ų125.780%0.877%0.769SS**  cis-143-44.27.7-167.40000113.9
622S31.1Very low32.4Very low101 Ų101122.3 Ų122.371%0.70677%0.772SS**  trans-144.6163.4-136.143.60000115.6
623S29.8Very low32.4Very low103 Ų103125.3 Ų125.372%0.7278%0.778SS**  cis-167.9140.4-20.351.10000113.7
624S31.1Very low32.8Very low108 Ų108128.7 Ų128.776%0.75579%0.79SS**  trans50.1103.5139.8-55.20000123.9
625K30.3Very low33.6Very low173 Ų173134.5 Ų134.575%0.75279%0.791SS**  85.3129.1118.8-83.9-178.4150.7-80.60124
626D30Very low34.8Very low134 Ų134133.1 Ų133.172%0.71778%0.784SS**  trans60.3128.2137.9-49.2-18.6000121.7
627G26.8Very low36.2Very low74 Ų74132.4 Ų132.476%0.76377%0.766SS**  trans173.229.5174.700000124.3
628L30.2Very low38.1Very low179 Ų179131.4 Ų131.494%0.93775%0.751SS**  trans62.4179.8161.7-69.1165.4000119.7
629L29.7Very low39.1Very low163 Ų163130.5 Ų130.585%0.85375%0.75SS**  trans-87.3170.3-169-65.4171.9000112.7
630P42Very low40.5Very low114 Ų114134.4 Ų134.474%0.7475%0.749SS**  cis-143.917920.744-24.2000119.3
631L31.9Very low42.2Very low161 Ų161133.8 Ų133.884%0.84374%0.735SS**  trans3.7129.6155.8-62.5167.7000120.9
632P35.9Very low43.9Very low126 Ų126134.5 Ų134.582%0.81872%0.723SS**PPolyproline II helixtrans-85.3141.7162.834.6-32.2000112.9
633Q34.6Very low45.4Very low197 Ų197139.7 Ų139.792%0.92173%0.727SS**PPolyproline II helixtrans-87.7172174-79.1-174.5-19.700113.7
634E43.1Very low47.1Very low190 Ų190144.3 Ų144.389%0.88873%0.729SS**PPolyproline II helixtrans-68.3151.5-156.6-54.8-173.6137.600117
635R52.5Low48.2Very low218 Ų218143.3 Ų143.382%0.82372%0.715SS**PPolyproline II helixtrans-78.1134.2164.6172-178174.8158.80.9110L637R635-L637 PolarHBondContact O-N 2.8Å
636P59.1Low49.4Very low103 Ų103146.1 Ų146.167%0.66972%0.721SS**PPolyproline II helixtrans-65.3131.8-179.825.2-34.2000113.1
637L62.9Low50.5Low82 Ų82148.3 Ų148.343%0.42973%0.727SS.*PPolyproline II helixtrans-62.4144.2-179.2-63.7175.5000113.3R635 E641 R642 L645R635-L637 PolarHBondContact O-N 2.8Å; L637-E641 HydrophobicContact CB-CB 4.26Å; L637-E641 HydrophobicContact CD2-CB 4.4Å; L637-R642 HydrophobicContact CB-CG 4.3Å; L637-R642 VanDerWaalsContact O-CZ 3.31Å; L637-R642 PolarHBondContact O-NE 3.14Å; L637-R642 PolarHBondContact O-NH2 3.02Å; L637-L645 HydrophobicContact CD1-CD1 3.85Å
638T71.3Confident51.5Low70 Ų70148.9 Ų148.943%0.42972%0.719SS.*PPolyproline II helixtrans-75.2161.4176.271.50000112.5R640 E641 R642T638-R640 PolarHBondContact O-N 3.38Å; T638-R640 VanDerWaalsContact O-N 3.08Å; T638-E641 WeakPolarHBondContact CA-OE2 3.37Å; T638-E641 VanDerWaalsContact CB-OE2 3.27Å; T638-E641 WeakPolarHBondContact CB-OE2 3.36Å; T638-E641 WeakPolarHBondContact CG2-OE2 3.33Å; T638-E641 PolarHBondContact N-OE2 3.02Å; T638-E641 PolarHBondContact O-N 3.05Å; T638-E641 VanDerWaalsContact O-N 3.08Å; T638-E641 PolarHBondContact OG1-OE2 3.11Å; T638-R642 WeakPolarHBondContact O-CG 3.1Å; T638-R642 PolarHBondContact O-N 2.89Å; T638-R642 VanDerWaalsContact O-N 3.13Å
639A52.7Low52.1Low79 Ų79148 Ų14865%0.65371%0.71SS**Hα-helixtrans-58.6-24-179.900000114.2R643A639-R643 PolarHBondContact O-N 3.14Å
640R61.3Low52.3Low214 Ų214148.4 Ų148.481%0.80871%0.713SS**Hα-helixtrans-77.5-30.9178.4-161.5172.4-170.9164.52.1112.5T638T638-R640 PolarHBondContact O-N 3.38Å; T638-R640 VanDerWaalsContact O-N 3.08Å
641E67.4Low51.8Low89 Ų89146.4 Ų146.442%0.41671%0.713SS.*Hα-helixtrans-77.2-43.5175.4-68.2152.7135.900110.6L637 T638 R643 R644 L645L637-E641 HydrophobicContact CB-CB 4.26Å; L637-E641 HydrophobicContact CD2-CB 4.4Å; T638-E641 WeakPolarHBondContact CA-OE2 3.37Å; T638-E641 VanDerWaalsContact CB-OE2 3.27Å; T638-E641 WeakPolarHBondContact CB-OE2 3.36Å; T638-E641 WeakPolarHBondContact CG2-OE2 3.33Å; T638-E641 PolarHBondContact N-OE2 3.02Å; T638-E641 PolarHBondContact O-N 3.05Å; T638-E641 VanDerWaalsContact O-N 3.08Å; T638-E641 PolarHBondContact OG1-OE2 3.11Å; E641-R643 PolarHBondContact O-N 2.83Å; E641-R644 PolarHBondContact O-N 3.37Å; E641-L645 PolarHBondContact O-N 3.44Å; E641-L645 VanDerWaalsContact O-N 3.09Å
642R67.7Low51.6Low146 Ų146146.2 Ų146.255%0.55172%0.719SS**Hα-helixtrans-58.3-33.3174.3-61.2-178.3-160.6-148.73.4112.8L637 T638L637-R642 HydrophobicContact CB-CG 4.3Å; L637-R642 VanDerWaalsContact O-CZ 3.31Å; L637-R642 PolarHBondContact O-NE 3.14Å; L637-R642 PolarHBondContact O-NH2 3.02Å; T638-R642 WeakPolarHBondContact O-CG 3.1Å; T638-R642 PolarHBondContact O-N 2.89Å; T638-R642 VanDerWaalsContact O-N 3.13Å
643R62.8Low51.3Low210 Ų210143.5 Ų143.579%0.79271%0.714SS**Hα-helixtrans-71.5-27.4173-93.9-173.8173.5166.50.5114.5A639 E641A639-R643 PolarHBondContact O-N 3.14Å; E641-R643 PolarHBondContact O-N 2.83Å
644R64.9Low51.7Low201 Ų201141 Ų14176%0.75871%0.714SS**Hα-helixtrans-76.8-42.9174.6-83.2-176.8160.9-179.3-6.9111.8E641 R646 Q647E641-R644 PolarHBondContact O-N 3.37Å; R644-R646 VanDerWaalsContact C-N 3.3Å; R644-R646 PolarHBondContact O-N 2.89Å; R644-Q647 PolarHBondContact O-N 3.21Å; R644-Q647 VanDerWaalsContact O-N 3.1Å
645L55.4Low51Low86 Ų86137.5 Ų137.545%0.4571%0.711SS.*Hα-helixtrans-58.3-36.4179.8-94.6157.5000113.7L637 E641 Q647 S648L637-L645 HydrophobicContact CD1-CD1 3.85Å; E641-L645 PolarHBondContact O-N 3.44Å; E641-L645 VanDerWaalsContact O-N 3.09Å; L645-Q647 PolarHBondContact O-N 3.09Å; L645-S648 PolarHBondContact O-N 3.41Å; L645-S648 PolarHBondContact O-OG 2.84Å
646R56.3Low49.9Very low232 Ų232131.3 Ų131.388%0.87571%0.706SS**THydrogen-bonded Turntrans-78.15.7177.6-72.6-157.7178.5-79.24.8115.5R644R644-R646 VanDerWaalsContact C-N 3.3Å; R644-R646 PolarHBondContact O-N 2.89Å
647Q51.5Low48.5Very low180 Ų180133.6 Ų133.684%0.84172%0.718SS**THydrogen-bonded Turntrans-115.79.4172.4-69.5-169.7-38.400113.2R644 L645R644-Q647 PolarHBondContact O-N 3.21Å; R644-Q647 VanDerWaalsContact O-N 3.1Å; L645-Q647 PolarHBondContact O-N 3.09Å
648S48.8Very low46.9Very low86 Ų86140.9 Ų140.960%0.60174%0.74SS**SBendtrans-133.715.2-173.365.20000114.9L645L645-S648 PolarHBondContact O-N 3.41Å; L645-S648 PolarHBondContact O-OG 2.84Å
649Q41.6Very low44.7Very low162 Ų162148.8 Ų148.876%0.75776%0.762SS**  trans-139.964.8176.1-74.6-169.2-22.800111.6
650D34.6Very low43.4Very low171 Ų171148.2 Ų148.291%0.91476%0.757SS**SBendtrans-147.6133.8145.5-106.9-40.2000108
651G30.8Very low41.8Very low72 Ų72142.6 Ų142.674%0.74275%0.751SS**  trans85.684.7-179.100000116
652T28.9Very low39.9Very low157 Ų157148.5 Ų148.596%0.96377%0.771SS**  trans-150.7121.3156.4-68.60000111.2
653G30.1Very low38.1Very low69 Ų69149.1 Ų149.171%0.71179%0.785SS**  trans145.5136.1166.200000114
654P41.9Very low36.4Very low143 Ų143146.4 Ų146.493%0.92979%0.792SS**  cis-109.3-161.8-27.137.8-24.7000111.3
655S28.5Very low34.6Very low117 Ų117141.1 Ų141.182%0.81879%0.79SS**  trans-122.9150.5-157.5-169.70000116.6
656A30.1Very low33.5Very low88 Ų88142.1 Ų142.173%0.72781%0.805SS**  trans71.911115000000122
657V28.6Very low32.3Very low151 Ų151136.9 Ų136.992%0.91580%0.799SS**  -132.3152.3129179.80000108.4
658R29Very low31.3Very low236 Ų236137.5 Ų137.589%0.89180%0.799SS**  trans-95.9154.2-176.5-34.8171.7-156.6169.36.5110.9
659R26.8Very low30.5Very low236 Ų236137.6 Ų137.689%0.89181%0.805SS**  164.7116.9123.5-179.5174.4-66.9150-1.5114.7
660A25Very low30Very low67 Ų67136.3 Ų136.355%0.55480%0.799SS**  trans42.8121.5141.800000123.9
661S27.3Very low29.8Very low96 Ų96136.3 Ų136.367%0.67179%0.786SS**  86.5161.9124-62.60000123.3
662Y27.9Very low29.7Very low213 Ų213139.9 Ų139.984%0.83578%0.783SS**  trans64.9125.8164.333.2-106000122.1
663D28.4Very low29.6Very low159 Ų159138.4 Ų138.485%0.8577%0.769SS**  trans-67.2160.8158.6-57.4-87.4000112.9
664V28.1Very low29.5Very low153 Ų153139.7 Ų139.793%0.92777%0.773SS**  175.2160.9128.6148.60000109.1
665A26.7Very low30.3Very low89 Ų89138.5 Ų138.574%0.73677%0.765SS**  trans-123.1165.4-163.900000116
666S31.8Very low30.2Very low108 Ų108139.8 Ų139.876%0.75577%0.768SS**  trans99.3155.2141.3-154.90000120.9
667T32.2Very low30Very low121 Ų121141.1 Ų141.174%0.74277%0.767SS**  trans77.7155.2172.8800000116.4
668K30Very low29.9Very low194 Ų194144.9 Ų144.984%0.84377%0.765SS**  cis-153.4172.915.5-147.6158.6-176.6178.20114.7
669A31.6Very low29.8Very low88 Ų88138.9 Ų138.973%0.72776%0.759SS**  trans-45.5178.6170.500000117.4
670E31Very low29.9Very low135 Ų135131.7 Ų131.763%0.63175%0.75SS**  cis162.4162.2-20.5-166.7-157.8177.900105.9
671R30.9Very low30Very low170 Ų170133.9 Ų133.964%0.64276%0.761SS**  trans74.7153.4164.6-57.1178.6-168.6-101.7-20.2117.2
672H29.2Very low30Very low148 Ų148139.6 Ų139.669%0.68577%0.77SS**  cis-159.1153.2-10.2-110.1-25.6000113.2
673N26Very low30Very low126 Ų126132.7 Ų132.767%0.67475%0.752SS**  trans52.5109.4140.5-60.1-10.6000124.8
674A27.8Very low30Very low95 Ų95131.4 Ų131.479%0.78575%0.75SS**  85.4165.5109.600000120.8
675P59.2Low29.9Very low119 Ų119128.5 Ų128.577%0.77374%0.742SS**  trans-124.6-168.9-145.546.1-36.8000116
676V27.2Very low29.9Very low143 Ų143131.2 Ų131.287%0.86774%0.744SS**  trans-170.7167.5140.4134.80000114.5
677T26.2Very low29.6Very low116 Ų116131.7 Ų131.771%0.71275%0.748SS**  trans-83.7155.5-160.156.40000120.5
678R26.1Very low29.3Very low230 Ų230128.9 Ų128.987%0.86874%0.742SS**  170.5143123.1-94.8177162167.1-6.8110.1
679S26.1Very low29.1Very low110 Ų110125.2 Ų125.277%0.76974%0.741SS**  69.813159.8-48.30000113.6
680A28.9Very low29Very low85 Ų85130.5 Ų130.570%0.70275%0.748SS**  cis-163167.7-0.100000114.5
681S27.1Very low28.9Very low113 Ų113129.9 Ų129.979%0.7975%0.753SS**  trans70.8149.5133.261.70000125.9
682Y27.5Very low28.8Very low217 Ų217128.5 Ų128.585%0.85176%0.756SS**  trans79.2150.6154.4171.6-75.4000120
683S28.2Very low29Very low67 Ų67129 Ų12947%0.46976%0.758SS.*  cis-171.2155.3-47920000112.9
684V28.3Very low29.2Very low132 Ų132130.8 Ų130.880%0.876%0.762SS**  trans75.3138.2145.2170.40000122.9
685A26.8Very low29.4Very low92 Ų92136.3 Ų136.376%0.7676%0.763SS**  trans70.8160.4156.600000121.4
686D25.4Very low28.1Very low147 Ų147134.3 Ų134.379%0.78675%0.752SS**  cis-171.5163.6-36.7-170.522.2000109.7
687S26.9Very low28.5Very low118 Ų118134.5 Ų134.583%0.82575%0.748SS**  trans64.3166.9172.178.70000117.4
688G24.1Very low29Very low61 Ų61138.2 Ų138.263%0.62976%0.757SS**  cis169110.3-10.700000115.2
689S27.7Very low29.5Very low118 Ų118134.9 Ų134.983%0.82576%0.757SS**  trans52.5114.4155.3570000124.5
690K28.5Very low30Very low198 Ų198136.2 Ų136.286%0.86175%0.751SS**  trans54.1140.7131.2-80-169.2173.9-172.70124.3
691V29.6Very low30Very low123 Ų123141.5 Ų141.575%0.74575%0.754SS**  trans78.3145.7147.1162.60000117.6
692M28.7Very low30Very low141 Ų141139.2 Ų139.270%0.69574%0.738SS**  cis-168.7-178.5-19.8-97.9178.590.500108.7
693E33.5Very low30.1Very low157 Ų157134.2 Ų134.273%0.73474%0.735SS**  cis159.7114.2-39.3-175.4-179.8-60.800111.9
694Q29.4Very low30Very low164 Ų164136.5 Ų136.577%0.76675%0.751SS**  trans-172.6138161.3-109.9-170.236.400116.8
695R31.9Very low29.9Very low212 Ų212137.1 Ų137.180%0.876%0.755SS**  trans57.2151145.9-67.4178.5-175-125.7-1.1122.8
696S33Very low29.8Very low77 Ų77137.3 Ų137.354%0.53875%0.751SS.*  cis-168.2162.4-25.453.80000111.3
697D33.9Very low30Very low147 Ų147135.2 Ų135.279%0.78675%0.748SS**  trans68.7145.8160.6-37.3-49.9000116.2
698E36.8Very low30.1Very low194 Ų194135.6 Ų135.691%0.90775%0.745SS**  cis-128.2-179.1-2.3-66.8-178.393.500111
699D37.2Very low30.3Very low159 Ų159139 Ų13985%0.8574%0.744SS**  trans-93.1-171.1172.8-112.9123000110.8
700E35.5Very low30.4Very low139 Ų139143 Ų14365%0.6574%0.742SS**  cis-136.8-131.212.7-152.9-151.4119.500110.1S702E700-S702 PolarHBondContact OE1-N 3.49Å
701Y29Very low30.6Very low196 Ų196139.2 Ų139.277%0.76974%0.74SS**  cis-149.3134.112.8-173.8-104.8000114.1
702S28.6Very low30.7Very low64 Ų64142.6 Ų142.645%0.44875%0.748SS.*SBendtrans51.5102173.1-72.10000119.1E700E700-S702 PolarHBondContact OE1-N 3.49Å
703S28.2Very low30.7Very low113 Ų113139.6 Ų139.679%0.7975%0.753SS**SBendtrans75.8116147.9-55.10000118
704S26.7Very low30.7Very low115 Ų115139.6 Ų139.680%0.80476%0.758SS**  cis-149.8136.95.8-62.20000113.2
705T26.4Very low30.8Very low145 Ų145136.4 Ų136.489%0.8975%0.753SS**  trans-131.3178.2170.956.40000107.5
706S24.4Very low30.9Very low96 Ų96135.7 Ų135.767%0.67175%0.75SS**  cis-145.7-167.310.351.80000108.3
707S29.6Very low31.1Very low103 Ų103141.7 Ų141.772%0.7277%0.769SS**  cis67.4146.127.6-9.50000113.6
708T29Very low31.8Very low126 Ų126144.7 Ų144.777%0.77377%0.77SS**  cis-139.5-174.9-1.463.60000108
709E29.7Very low32Very low131 Ų131143.6 Ų143.661%0.61276%0.762SS**  cis-157.7-170.6-9.9-138-161.4-24.200110.9
710R29.9Very low32.1Very low204 Ų204142.5 Ų142.577%0.7776%0.761SS**  trans14.9133.4148.1-70.8170169.6128.1-7.6121.3
711S32.4Very low32.3Very low118 Ų118143.2 Ų143.283%0.82577%0.765SS**  -148.3152.8121.5-174.50000110.1
712E31.6Very low32.9Very low194 Ų194135.7 Ų135.791%0.90774%0.74SS**  trans-78.1155.7164.6-63.5-179.5134.900110.2
713G28.4Very low33.7Very low77 Ų77137.9 Ų137.979%0.79475%0.747SS**  trans165.595.2179.600000113.2C715G713-C715 PolarHBondContact O-N 2.94Å
714D33.2Very low34.6Very low157 Ų157136.1 Ų136.184%0.8473%0.729SS**  trans-73120167.9169.729.9000110.5
715C31.2Very low35.2Very low98 Ų98133.8 Ų133.866%0.66271%0.706SS**  trans-172.8133.1138.2-104.40000114.9G713G713-C715 PolarHBondContact O-N 2.94Å
716R34.9Very low35.8Very low196 Ų196133 Ų13374%0.7469%0.692SS**  trans56.594.7140.7-54.5-65.5175.5147.21118.6R718R716-R718 VanDerWaalsContact C-N 3.31Å; R716-R718 PolarHBondContact O-N 3.03Å
717E35.6Very low36.9Very low203 Ų203131.9 Ų131.995%0.94968%0.678SS**  trans-6786.6153.2-171.8175.2-146.600110.7
718R48.9Very low37.6Very low210 Ų210129.2 Ų129.279%0.79266%0.656SS**  trans-151.599166.2-81.4-167.1-179.5-178.2-1.9109.9R716R716-R718 VanDerWaalsContact C-N 3.31Å; R716-R718 PolarHBondContact O-N 3.03Å
719K42.3Very low38.3Very low172 Ų172126.3 Ų126.375%0.74864%0.638SS**  trans-176.289.6153.6-106.9167.7-177.9-178.30110.5
720T39.6Very low39.1Very low136 Ų136125.4 Ų125.483%0.83463%0.633SS**SBendtrans-128.3-6.9170-9.10000112.7
721E38.5Very low39.8Very low154 Ų154117.4 Ų117.472%0.7261%0.605SS**SBendtrans-97.3-27.9-179.9-65.1171.812200112N723 D724E721-N723 PolarHBondContact O-N 2.81Å; E721-D724 PolarHBondContact O-N 3.36Å; E721-D724 VanDerWaalsContact O-N 3.08Å
722S41.5Very low40.1Very low37 Ų37117.3 Ų117.326%0.25959%0.593SS.*THydrogen-bonded Turntrans-72.5-1.2-170.9720000116.1
723N46Very low40.7Very low110 Ų110111.1 Ų111.159%0.58857%0.569SS**THydrogen-bonded Turntrans-86.1-22169.8-83.3-1.5000112.3E721 M725 H726 D727E721-N723 PolarHBondContact O-N 2.81Å; N723-M725 PolarHBondContact O-N 3.23Å; N723-H726 PolarHBondContact O-N 2.94Å; N723-D727 PolarHBondContact O-N 3Å; N723-D727 VanDerWaalsContact O-N 3.11Å
724D46.2Very low41.3Very low76 Ų76112.9 Ų112.941%0.40656%0.556SS.*Hα-helixtrans-70.1-33.1-168.9-78.24.7000113.2E721 L728 K858E721-D724 PolarHBondContact O-N 3.36Å; E721-D724 VanDerWaalsContact O-N 3.08Å; D724-L728 PolarHBondContact O-N 2.92Å; D724-K858 IonicContact OD1-NZ 3.27Å; D724-K858 PolarHBondContact OD1-NZ 3.46Å
725M39.7Very low41.6Very low66 Ų66110 Ų11033%0.32554%0.544SS..Hα-helixtrans-76-31.8172.1-72.7-166-76.300113.1N723 L728 V729 E831N723-M725 PolarHBondContact O-N 3.23Å; M725-L728 PolarHBondContact O-N 3.29Å; M725-V729 WeakPolarHBondContact O-CG2 3.49Å; M725-V729 PolarHBondContact O-N 3.37Å; M725-E831 HydrophobicContact CE-CG 3.83Å; M725-E831 VanDerWaalsContact CE-OE1 3.28Å; M725-E831 WeakPolarHBondContact CE-OE1 3.27Å
726H39.8Very low41.8Very low130 Ų130112.7 Ų112.760%0.60255%0.551SS**Hα-helixtrans-64.5-44.2177.2-176.2-83.8000111N723 L728 V729 H730N723-H726 PolarHBondContact O-N 2.94Å; H726-L728 PolarHBondContact O-N 3.46Å; H726-V729 PolarHBondContact O-N 3.4Å; H726-H730 WeakPolarHBondContact O-CB 3.42Å; H726-H730 PolarHBondContact O-N 3.47Å
727D46.8Very low42.2Very low71 Ų71113 Ų11338%0.3855%0.553SS.*Hα-helixtrans-65.5-37.3176.2-64.6-24.4000111.9N723 H730 M731 K858N723-D727 PolarHBondContact O-N 3Å; N723-D727 VanDerWaalsContact O-N 3.11Å; D727-H730 PolarHBondContact O-N 3.24Å; D727-M731 VanDerWaalsContact O-CB 3.31Å; D727-M731 WeakPolarHBondContact O-CB 3.49Å; D727-M731 PolarHBondContact O-N 3.19Å; D727-K858 WeakPolarHBondContact OD2-CE 3.39Å; D727-K858 IonicContact OD2-NZ 2.72Å; D727-K858 PolarHBondContact OD2-NZ 2.6Å
728L44.5Very low42Very low48 Ų48110.6 Ų110.625%0.25154%0.543SS..Hα-helixtrans-63.6-44.7174.6-179.264000112.3D724 M725 H726 H730 M731 M732 V854D724-L728 PolarHBondContact O-N 2.92Å; M725-L728 PolarHBondContact O-N 3.29Å; H726-L728 PolarHBondContact O-N 3.46Å; L728-H730 VanDerWaalsContact C-N 3.33Å; L728-M731 HydrophobicContact CD1-CE 3.94Å; L728-M731 HydrophobicContact CD1-SD 4.44Å; L728-M731 PolarHBondContact O-N 2.65Å; L728-M732 HydrophobicContact CD1-CG 4.48Å; L728-M732 HydrophobicContact CD1-SD 4.31Å; L728-M732 HydrophobicContact CG-SD 4.26Å; L728-M732 WeakPolarHBondContact O-CB 3.45Å; L728-M732 WeakPolarHBondContact O-CG 3.39Å; L728-M732 PolarHBondContact O-N 3.23Å; L728-V854 HydrophobicContact CD1-CG1 4.41Å; L728-V854 HydrophobicContact CD2-CG1 3.99Å
729V43.9Very low41.3Very low65 Ų65107.8 Ų107.839%0.39454%0.544SS..Hα-helixtrans-64.4-39.1175.91710000110.9M725 H726 T733 M826M725-V729 WeakPolarHBondContact O-CG2 3.49Å; M725-V729 PolarHBondContact O-N 3.37Å; H726-V729 PolarHBondContact O-N 3.4Å; V729-T733 VanDerWaalsContact O-CB 3.28Å; V729-T733 WeakPolarHBondContact O-CB 3.23Å; V729-T733 PolarHBondContact O-N 2.89Å; V729-T733 PolarHBondContact O-OG1 3.1Å; V729-M826 HydrophobicContact CG2-CE 3.68Å
730H46.7Very low41Very low111 Ų111106.8 Ų106.851%0.51455%0.552SS.*Hα-helixtrans-62.7-48.7174-169.2-77.5000111.6H726 D727 L728 M732 T733 Q734H726-H730 WeakPolarHBondContact O-CB 3.42Å; H726-H730 PolarHBondContact O-N 3.47Å; D727-H730 PolarHBondContact O-N 3.24Å; L728-H730 VanDerWaalsContact C-N 3.33Å; H730-M732 PolarHBondContact O-N 3.04Å; H730-T733 PolarHBondContact O-N 3.22Å; H730-Q734 PolarHBondContact CE1-OE1 3.02Å; H730-Q734 PolarHBondContact ND1-OE1 3.3Å; H730-Q734 WeakPolarHBondContact O-CB 3.33Å; H730-Q734 PolarHBondContact O-N 2.86Å
731M43.2Very low40.9Very low37 Ų37103.3 Ų103.318%0.18254%0.543CS..Hα-helixtrans-58.6-44.6177.8-175.1-140.9-56.600112.2D727 L728 Q734 T735 E861D727-M731 VanDerWaalsContact O-CB 3.31Å; D727-M731 WeakPolarHBondContact O-CB 3.49Å; D727-M731 PolarHBondContact O-N 3.19Å; L728-M731 HydrophobicContact CD1-CE 3.94Å; L728-M731 HydrophobicContact CD1-SD 4.44Å; L728-M731 PolarHBondContact O-N 2.65Å; M731-Q734 PolarHBondContact O-N 3.28Å; M731-T735 WeakPolarHBondContact O-CB 3.37Å; M731-T735 PolarHBondContact O-N 3.11Å; M731-T735 PolarHBondContact O-OG1 2.83Å; M731-E861 WeakPolarHBondContact CE-OE2 3.45Å
732M38.7Very low40.5Very low115 Ų115103.6 Ų103.657%0.56755%0.55SS*.Hα-helixtrans-66.8-43.1176.2-71.6179.263.800111.9L728 H730 Q734 T735 L736L728-M732 HydrophobicContact CD1-CG 4.48Å; L728-M732 HydrophobicContact CD1-SD 4.31Å; L728-M732 HydrophobicContact CG-SD 4.26Å; L728-M732 WeakPolarHBondContact O-CB 3.45Å; L728-M732 WeakPolarHBondContact O-CG 3.39Å; L728-M732 PolarHBondContact O-N 3.23Å; H730-M732 PolarHBondContact O-N 3.04Å; M732-Q734 VanDerWaalsContact C-N 3.32Å; M732-Q734 PolarHBondContact O-N 3.17Å; M732-T735 WeakPolarHBondContact O-CB 3.44Å; M732-T735 PolarHBondContact O-N 3.4Å; M732-L736 WeakPolarHBondContact O-CG 3.46Å; M732-L736 PolarHBondContact O-N 3.09Å; M732-L736 VanDerWaalsContact O-N 3.12Å
733T44.8Very low39.9Very low64 Ų64106.6 Ų106.639%0.39358%0.576SS.*Hα-helixtrans-63.4-38.4175.9-58.30000111.9V729 H730 L736 R737V729-T733 VanDerWaalsContact O-CB 3.28Å; V729-T733 WeakPolarHBondContact O-CB 3.23Å; V729-T733 PolarHBondContact O-N 2.89Å; V729-T733 PolarHBondContact O-OG1 3.1Å; H730-T733 PolarHBondContact O-N 3.22Å; T733-L736 PolarHBondContact O-N 3.39Å; T733-R737 WeakPolarHBondContact O-CG 3.16Å; T733-R737 PolarHBondContact O-N 3.15Å
734Q41.5Very low39.1Very low114 Ų114104 Ų10453%0.53358%0.576SS.*Hα-helixtrans-70.1-37.2177.3-173.9170.9-12.300111.6H730 M731 M732 L736 R737H730-Q734 PolarHBondContact CE1-OE1 3.02Å; H730-Q734 PolarHBondContact ND1-OE1 3.3Å; H730-Q734 WeakPolarHBondContact O-CB 3.33Å; H730-Q734 PolarHBondContact O-N 2.86Å; M731-Q734 PolarHBondContact O-N 3.28Å; M732-Q734 VanDerWaalsContact C-N 3.32Å; M732-Q734 PolarHBondContact O-N 3.17Å; Q734-L736 PolarHBondContact O-N 2.93Å; Q734-R737 PolarHBondContact O-N 3.43Å
735T39.7Very low38.4Very low97 Ų97110.7 Ų110.760%0.59560%0.595SS**Hα-helixtrans-62.3-31.1171.9-59.50000112.2M731 M732 R737M731-T735 WeakPolarHBondContact O-CB 3.37Å; M731-T735 PolarHBondContact O-N 3.11Å; M731-T735 PolarHBondContact O-OG1 2.83Å; M732-T735 WeakPolarHBondContact O-CB 3.44Å; M732-T735 PolarHBondContact O-N 3.4Å; T735-R737 VanDerWaalsContact C-N 3.3Å
736L36.1Very low38Very low154 Ų154114.5 Ų114.581%0.80661%0.612SS**THydrogen-bonded Turntrans-81.6-1.7173.7-66.8169.8000113.9M732 T733 Q734M732-L736 WeakPolarHBondContact O-CG 3.46Å; M732-L736 PolarHBondContact O-N 3.09Å; M732-L736 VanDerWaalsContact O-N 3.12Å; T733-L736 PolarHBondContact O-N 3.39Å; Q734-L736 PolarHBondContact O-N 2.93Å
737R41.6Very low37.5Very low203 Ų203116 Ų11677%0.76662%0.624SS**THydrogen-bonded Turntrans-118.430.9-175.1-76.1-174.3174.9-1472.4114.4T733 Q734 T735T733-R737 WeakPolarHBondContact O-CG 3.16Å; T733-R737 PolarHBondContact O-N 3.15Å; Q734-R737 PolarHBondContact O-N 3.43Å; T735-R737 VanDerWaalsContact C-N 3.3Å
738M32.6Very low36.5Very low153 Ų153116.2 Ų116.275%0.75464%0.643SS**  trans-111.791.6171.9-70.4-165.467.700112.5
739D33.2Very low35.8Very low151 Ų151124.5 Ų124.581%0.80768%0.677SS**  -178.198.5120.4-97.9-13000112.3
740V35.9Very low35Very low150 Ų150125.2 Ų125.291%0.90970%0.697SS**  trans-138.981.6149.1-174.40000107.7
741G38.5Very low34.2Very low63 Ų63130.5 Ų130.565%0.64971%0.712SS**  trans-75.1139.4165.300000110.6A743G741-A743 PolarHBondContact O-N 2.84Å
742D30.3Very low33.7Very low161 Ų161135.1 Ų135.186%0.86174%0.737SS**  trans-57.5128.7179.8174.423.5000112.5G744D742-G744 PolarHBondContact OD1-N 3.08Å; D742-G744 VanDerWaalsContact OD1-N 3.14Å
743A28.9Very low33.1Very low99 Ų99136.6 Ų136.682%0.81875%0.747SS**  trans-146.237.4174.900000113.9G741G741-A743 PolarHBondContact O-N 2.84Å
744G27.8Very low32.8Very low56 Ų56138.7 Ų138.758%0.57776%0.764SS**  trans76.5117.3146.200000122.2D742D742-G744 PolarHBondContact OD1-N 3.08Å; D742-G744 VanDerWaalsContact OD1-N 3.14Å
745R31.6Very low32.5Very low217 Ų217138.4 Ų138.482%0.81978%0.775SS**  trans77128.5143.7-67.3-178.6176.2-91.4-4.4122.3
746E31.2Very low32Very low145 Ų145139.8 Ų139.868%0.67878%0.783SS**  trans69.3143.4143.4-66.1166.5-132.600116.5
747L30.3Very low31.6Very low163 Ų163140.7 Ų140.785%0.85379%0.785SS**  cis-155155.77.9-160.477.6000109.9
748G26.5Very low31.1Very low75 Ų75136.5 Ų136.577%0.77378%0.784SS**  trans126.5137.815000000119.9
749K30Very low31.1Very low222 Ų222136.3 Ų136.397%0.96578%0.781SS**  trans-63.2153.7-177.6-55.2168.2179.1175.80115.7
750G26.6Very low30.8Very low79 Ų79139.1 Ų139.181%0.81479%0.787SS**  trans-169.3156.3161.900000112.4
751R29.8Very low30.7Very low223 Ų223140 Ų14084%0.84278%0.779SS**  trans-157.5128-175.7-161.5-169.7-153.4-112.47.3112.3
752L31.5Very low30.5Very low134 Ų134143.9 Ų143.970%0.70278%0.784SS**  trans63.7154.9172.4-63.7152.1000114.6
753D26.4Very low30.5Very low146 Ų146141.8 Ų141.878%0.78177%0.772SS**  cis-144.3-168-0.5-145.3-32.8000111.6
754S37.9Very low30.9Very low107 Ų107146.8 Ų146.875%0.74877%0.77SS**  trans-57.9158-166.9-167.50000120.2
755S36.1Very low31.1Very low108 Ų108154 Ų15476%0.75578%0.78SS**  trans91.4157157.8-154.10000119.7
756V28.9Very low31.3Very low126 Ų126151.8 Ų151.876%0.76477%0.773SS**  trans73123.7-178.1-171.80000116.6
757M28.1Very low31.6Very low174 Ų174153.3 Ų153.386%0.85777%0.772SS**PPolyproline II helixtrans-80.4127.1168.3-69.4-99.269.900110.5
758P31Very low31.9Very low114 Ų114149.9 Ų149.974%0.7476%0.755SS**PPolyproline II helixtrans-77.8142177.3-16.832000113.9
759E31.9Very low32.6Very low149 Ų149151 Ų15170%0.69675%0.746SS**PPolyproline II helixtrans-62.9146.3174.6-54.6170.2110.900113.5K761E759-K761 PolarHBondContact O-N 3.49Å; E759-K761 IonicContact OE2-NZ 2.7Å; E759-K761 PolarHBondContact OE2-NZ 3.06Å
760F26.6Very low33Very low211 Ų211146.5 Ų146.593%0.92573%0.733SS**  trans-73.991.8165.9-106.9-96.2000111.5L762F760-L762 PolarHBondContact O-N 3.12Å
761K34.8Very low33.6Very low168 Ų168147.6 Ų147.673%0.7372%0.723SS**  trans-78.4103.9170-79.5-176.9168.879.30111E759E759-K761 PolarHBondContact O-N 3.49Å; E759-K761 IonicContact OE2-NZ 2.7Å; E759-K761 PolarHBondContact OE2-NZ 3.06Å
762L33.6Very low33.8Very low145 Ų145143.8 Ų143.876%0.75972%0.719SS**  trans-55.5139.4174.2-16278.3000111.3F760 R764F760-L762 PolarHBondContact O-N 3.12Å; L762-R764 PolarHBondContact O-N 3.18Å
763N30.9Very low34Very low116 Ų116145.9 Ų145.962%0.6273%0.725SS**  trans-62.7120.4-175.2-172.2-29000111.6R765 Y766N763-R765 PolarHBondContact O-N 2.91Å; N763-R765 PolarHBondContact OD1-N 3.25Å; N763-Y766 PolarHBondContact O-N 3.01Å
764R36.4Very low34.6Very low204 Ų204141.9 Ų141.977%0.7772%0.717SS**Hα-helixtrans-49.3-37-173.2-170.8173.1-179.21670.6113.7L762 Y766 R767L762-R764 PolarHBondContact O-N 3.18Å; R764-Y766 PolarHBondContact O-N 2.86Å; R764-R767 PolarHBondContact O-N 3.03Å
765R33.8Very low34.4Very low209 Ų209146.4 Ų146.479%0.78972%0.724SS**Hα-helixtrans-63.7-23.2-179.1-71.6-171.8175-169.8-1.2114.4N763 T769N763-R765 PolarHBondContact O-N 2.91Å; N763-R765 PolarHBondContact OD1-N 3.25Å; R765-T769 PolarHBondContact O-OG1 2.9Å
766Y34.6Very low34.1Very low169 Ų169146.1 Ų146.166%0.66373%0.728SS**Hα-helixtrans-82.6-22.8178.8-129.2-88.8000113N763 R764N763-Y766 PolarHBondContact O-N 3.01Å; R764-Y766 PolarHBondContact O-N 2.86Å
767R38.4Very low34.1Very low178 Ų178149.9 Ų149.967%0.67273%0.729SS**Hα-helixtrans-69.4-41.5177.4-175.9177.4175.9177.6-1.6111.4R764 T769 L770 V771R764-R767 PolarHBondContact O-N 3.03Å; R767-T769 VanDerWaalsContact C-N 3.33Å; R767-T769 PolarHBondContact O-N 2.66Å; R767-L770 PolarHBondContact O-N 2.92Å; R767-V771 WeakPolarHBondContact O-CG2 3.45Å; R767-V771 PolarHBondContact O-N 3.19Å
768D35.7Very low34.8Very low90 Ų90150.7 Ų150.748%0.48173%0.73SS.*Hα-helixtrans-69.6-31.3-173.1-56.5-27.7000111.9
769T40.5Very low34.7Very low98 Ų98152.5 Ų152.560%0.60173%0.729SS**Hα-helixtrans-68.3-35.8173.1-43.80000112.8R765 R767R765-T769 PolarHBondContact O-OG1 2.9Å; R767-T769 VanDerWaalsContact C-N 3.33Å; R767-T769 PolarHBondContact O-N 2.66Å
770L38.4Very low35.2Very low129 Ų129150.8 Ų150.868%0.67574%0.74SS**Hα-helixtrans-73.2-26.2179.2-76.1165.8000113.1R767R767-L770 PolarHBondContact O-N 2.92Å
771V39.5Very low35.2Very low102 Ų102143.9 Ų143.962%0.61873%0.728SS**Hα-helixtrans-78.6-28.9-179.4172.50000112.5R767 H773R767-V771 WeakPolarHBondContact O-CG2 3.45Å; R767-V771 PolarHBondContact O-N 3.19Å; V771-H773 PolarHBondContact O-N 3.25Å
772L35.2Very low35.4Very low143 Ų143141.8 Ų141.875%0.74974%0.735SS**THydrogen-bonded Turntrans-77.3-13.2-169-82.2168000116.5
773H35.7Very low35Very low178 Ų178143 Ų14382%0.82474%0.741SS**THydrogen-bonded Turntrans-113.87178.3-76.2-54.5000114.7V771 K775V771-H773 PolarHBondContact O-N 3.25Å; H773-K775 PolarHBondContact O-N 3.01Å; H773-K775 VanDerWaalsContact O-N 3.11Å
774G37.9Very low34.8Very low61 Ų61143 Ų14363%0.62975%0.75SS**  trans-83.868.5-179.600000115
775K34.3Very low34.6Very low202 Ų202141.9 Ų141.988%0.87876%0.759SS**  trans-172.8141158.1-109.9154.8-1721780115H773H773-K775 PolarHBondContact O-N 3.01Å; H773-K775 VanDerWaalsContact O-N 3.11Å
776A29.2Very low34.2Very low103 Ų103134.9 Ų134.985%0.85175%0.752SS**  trans64139.4170.100000116.1
777R29Very low34.2Very low204 Ų204136.2 Ų136.277%0.7776%0.764SS**  cis-150.9151.2-4.4161.8173.6161.1173.7-8.2108.2E779R777-E779 IonicContact CZ-OE1 3.33Å; R777-E779 IonicContact NE-OE1 3.32Å; R777-E779 PolarHBondContact NE-OE1 3.15Å; R777-E779 IonicContact NH2-OE1 2.7Å; R777-E779 PolarHBondContact NH2-OE1 3.12Å; R777-E779 PolarHBondContact O-N 3.12Å
778E42.7Very low34Very low191 Ų191135 Ų13589%0.89377%0.77SS**  trans-70.9119.5171.7-61.7176.2129.400110.6
779E29Very low34Very low153 Ų153136.4 Ų136.472%0.71578%0.783SS**  trans-142.3140.6152.6-67.7-164.7173.500109.4R777R777-E779 IonicContact CZ-OE1 3.33Å; R777-E779 IonicContact NE-OE1 3.32Å; R777-E779 PolarHBondContact NE-OE1 3.15Å; R777-E779 IonicContact NH2-OE1 2.7Å; R777-E779 PolarHBondContact NH2-OE1 3.12Å; R777-E779 PolarHBondContact O-N 3.12Å
780A43.3Very low34.1Very low112 Ų112139.3 Ų139.393%0.92680%0.801SS**  trans-84.4130.8-177.200000111.3
781G27.3Very low33.8Very low66 Ų66135.6 Ų135.668%0.6879%0.794SS**  trans-141.3113.2176.200000111.8
782S38.9Very low33.9Very low125 Ų125136.2 Ų136.287%0.87481%0.81SS**  trans-71.9127.4169.345.90000109.7
783L25.4Very low34Very low170 Ų170132.3 Ų132.389%0.8979%0.792SS**  trans-122.1116.8177-68.2177.6000110.2
784S25.6Very low34.4Very low115 Ų115128.1 Ų128.180%0.80478%0.783SS**  trans-73.4161.8-179.648.20000112.7G786S784-G786 PolarHBondContact O-N 3.11Å; S784-G786 VanDerWaalsContact O-N 3.14Å
785L31.3Very low34.6Very low181 Ų181127.2 Ų127.295%0.94877%0.774SS**  trans-67.8108.8167.4-93.272.1000109.8
786G26.7Very low34.8Very low63 Ų63121.1 Ų121.165%0.64976%0.755SS**PPolyproline II helixtrans-86.2142.4161.400000111.3S784S784-G786 PolarHBondContact O-N 3.11Å; S784-G786 VanDerWaalsContact O-N 3.14Å
787E34.7Very low35.1Very low196 Ų196117.6 Ų117.692%0.91673%0.726SS**PPolyproline II helixtrans-66.9150.9-178.2-60.5-174.3116.600113.1
788I34.6Very low35.7Very low154 Ų154114.2 Ų114.279%0.7972%0.716SS**PPolyproline II helixtrans-95.8120.3175.3-59177.6000109.3
789P34.9Very low35.5Very low119 Ų119109.3 Ų109.377%0.77370%0.699SS**PPolyproline II helixtrans-57.3144.4179-27.535.7000113.9G791P789-G791 VanDerWaalsContact C-N 3.3Å; P789-G791 PolarHBondContact O-N 2.9Å
790T42.9Very low36.1Very low158 Ų158109.1 Ų109.197%0.96969%0.692SS**  trans-76.170.3-171.7-37.30000113.1
791G32.3Very low36.1Very low52 Ų52111.4 Ų111.454%0.53668%0.677SS.*  trans-102.4131.4175.700000113.4P789 T793P789-G791 VanDerWaalsContact C-N 3.3Å; P789-G791 PolarHBondContact O-N 2.9Å; G791-T793 PolarHBondContact O-N 3.1Å; G791-T793 VanDerWaalsContact O-N 3.11Å
792A42Very low36.8Very low114 Ų114110.8 Ų110.894%0.94267%0.666SS**  trans-63.7110.4-173.700000113.2
793T36.3Very low37Very low61 Ų61108.4 Ų108.437%0.37464%0.642SS.*  trans-138.1130.2172.243.60000110.7G791G791-T793 PolarHBondContact O-N 3.1Å; G791-T793 VanDerWaalsContact O-N 3.11Å
794S44.3Very low38Very low91 Ų91105.5 Ų105.564%0.63662%0.624SS**  trans-67.3151.7-177.1-173.40000112.2A797S794-A797 WeakPolarHBondContact O-CB 3.49Å; S794-A797 PolarHBondContact O-N 3.14Å
795G41.5Very low39.1Very low42 Ų42108.2 Ų108.243%0.43362%0.617SS.*Hα-helixtrans-44.2-49.7-174.600000115.4A797 K798 V799G795-A797 PolarHBondContact O-N 3.03Å; G795-A797 VanDerWaalsContact O-N 3.15Å; G795-K798 WeakPolarHBondContact O-CB 3.27Å; G795-K798 PolarHBondContact O-N 3.37Å; G795-V799 PolarHBondContact O-N 3.16Å
796P38.4Very low39.7Very low74 Ų74104.8 Ų104.848%0.48160%0.599SS.*Hα-helixtrans-60.1-25.2179-26.436.1000114.9R800P796-R800 WeakPolarHBondContact O-CG 3.3Å; P796-R800 PolarHBondContact O-N 2.97Å; P796-R800 VanDerWaalsContact O-N 3.12Å
797A36.5Very low40.5Very low29 Ų29109.8 Ų109.824%0.2460%0.598CS.*Hα-helixtrans-75.9-30175.700000112.4S794 G795 R801S794-A797 WeakPolarHBondContact O-CB 3.49Å; S794-A797 PolarHBondContact O-N 3.14Å; G795-A797 PolarHBondContact O-N 3.03Å; G795-A797 VanDerWaalsContact O-N 3.15Å; A797-R801 PolarHBondContact O-N 3.05Å; A797-R801 VanDerWaalsContact O-N 3.12Å
798K41.1Very low41.1Very low132 Ų132103.5 Ų103.557%0.57457%0.573SS**Hα-helixtrans-70.5-41.6174.3-59.8-170.7178.7-171.40111.1G795 R801 A802G795-K798 WeakPolarHBondContact O-CB 3.27Å; G795-K798 PolarHBondContact O-N 3.37Å; K798-R801 PolarHBondContact O-N 2.63Å; K798-A802 PolarHBondContact O-N 2.92Å
799V38.8Very low41.6Very low89 Ų8999.2 Ų99.254%0.53955%0.552SS.*Hα-helixtrans-61.9-46.6174.4179.30000111.2G795 R801 A802 I803G795-V799 PolarHBondContact O-N 3.16Å; V799-R801 PolarHBondContact O-N 2.68Å; V799-A802 WeakPolarHBondContact O-CB 3.36Å; V799-A802 PolarHBondContact O-N 3.26Å; V799-A802 VanDerWaalsContact O-N 3.16Å; V799-I803 HydrophobicContact CG1-CD1 3.98Å; V799-I803 WeakPolarHBondContact O-CG1 3.49Å; V799-I803 PolarHBondContact O-N 3.38Å
800R41Very low42.1Very low149 Ų14997.9 Ų97.956%0.56254%0.541SS*.Hα-helixtrans-59-44.5175.9-77.2-172-69.7-93.57.1112.8P796 A802 I803 E804P796-R800 WeakPolarHBondContact O-CG 3.3Å; P796-R800 PolarHBondContact O-N 2.97Å; P796-R800 VanDerWaalsContact O-N 3.12Å; R800-A802 VanDerWaalsContact C-N 3.32Å; R800-A802 PolarHBondContact O-N 3Å; R800-I803 PolarHBondContact O-N 3.43Å; R800-E804 WeakPolarHBondContact O-CG 3.49Å; R800-E804 PolarHBondContact O-N 3.06Å
801R43.5Very low42.1Very low159 Ų15996.2 Ų96.260%0.653%0.531SS*.Hα-helixtrans-62.7-33.7175.1-76.5-175.2-177.5173.31.6113.9A797 K798 V799 E804 R805A797-R801 PolarHBondContact O-N 3.05Å; A797-R801 VanDerWaalsContact O-N 3.12Å; K798-R801 PolarHBondContact O-N 2.63Å; V799-R801 PolarHBondContact O-N 2.68Å; R801-E804 WeakPolarHBondContact CA-OE2 3.01Å; R801-R805 WeakPolarHBondContact O-CB 3.29Å; R801-R805 PolarHBondContact O-N 2.67Å
802A41.4Very low42.8Very low54 Ų54100 Ų10045%0.44653%0.532SS..Hα-helixtrans-66.9-42.6174.600000111.5K798 V799 R800 R805 L806K798-A802 PolarHBondContact O-N 2.92Å; V799-A802 WeakPolarHBondContact O-CB 3.36Å; V799-A802 PolarHBondContact O-N 3.26Å; V799-A802 VanDerWaalsContact O-N 3.16Å; R800-A802 VanDerWaalsContact C-N 3.32Å; R800-A802 PolarHBondContact O-N 3Å; A802-R805 WeakPolarHBondContact O-CB 3.4Å; A802-R805 PolarHBondContact O-N 2.91Å; A802-L806 PolarHBondContact O-N 3.31Å
803I44.3Very low43.1Very low75 Ų7596.8 Ų96.839%0.38551%0.51SS..Hα-helixtrans-64.5-41.4174.6-65165.7000111V799 R800 R805 L806 R807V799-I803 HydrophobicContact CG1-CD1 3.98Å; V799-I803 WeakPolarHBondContact O-CG1 3.49Å; V799-I803 PolarHBondContact O-N 3.38Å; R800-I803 PolarHBondContact O-N 3.43Å; I803-R805 VanDerWaalsContact C-N 3.35Å; I803-L806 PolarHBondContact O-N 3.48Å; I803-R807 WeakPolarHBondContact O-CB 3.48Å; I803-R807 VanDerWaalsContact O-CG 3.27Å; I803-R807 WeakPolarHBondContact O-CG 3.35Å; I803-R807 PolarHBondContact O-N 3.35Å
804E46.6Very low43.6Very low108 Ų108101.2 Ų101.251%0.50553%0.531SS..Hα-helixtrans-62.5-40.1173.5-71.4167148.300111.7R800 R801 R807 T808R800-E804 WeakPolarHBondContact O-CG 3.49Å; R800-E804 PolarHBondContact O-N 3.06Å; R801-E804 WeakPolarHBondContact CA-OE2 3.01Å; E804-R807 PolarHBondContact O-N 3.11Å; E804-T808 PolarHBondContact O-N 3.17Å; E804-T808 PolarHBondContact O-OG1 3.39Å
805R48.1Very low43.7Very low173 Ų17397.7 Ų97.765%0.65351%0.509SS*.Hα-helixtrans-61.6-51.9175.7-152.573.3169.3-161.6-3111.4R801 A802 I803 R807 T808 D809R801-R805 WeakPolarHBondContact O-CB 3.29Å; R801-R805 PolarHBondContact O-N 2.67Å; A802-R805 WeakPolarHBondContact O-CB 3.4Å; A802-R805 PolarHBondContact O-N 2.91Å; I803-R805 VanDerWaalsContact C-N 3.35Å; R805-R807 VanDerWaalsContact C-N 3.33Å; R805-R807 PolarHBondContact O-N 3.28Å; R805-T808 WeakPolarHBondContact O-CA 3.28Å; R805-T808 WeakPolarHBondContact O-CB 3.24Å; R805-T808 PolarHBondContact O-N 2.97Å; R805-D809 PolarHBondContact O-N 3Å
806L43.3Very low43.9Very low108 Ų10899.8 Ų99.857%0.56551%0.513SS*.Hα-helixtrans-54.2-46174.5-83158000112.2A802 I803 T808 D809 V810A802-L806 PolarHBondContact O-N 3.31Å; I803-L806 PolarHBondContact O-N 3.48Å; L806-T808 VanDerWaalsContact C-N 3.33Å; L806-T808 PolarHBondContact O-N 3.36Å; L806-D809 PolarHBondContact O-N 2.71Å; L806-V810 WeakPolarHBondContact O-CG2 3.39Å; L806-V810 PolarHBondContact O-N 3.05Å
807R44.4Very low44.1Very low168 Ų168105 Ų10563%0.63453%0.528SS*.Hα-helixtrans-60.1-40.7173.7-73.7170.3175.1-169.1-4.4112.3I803 E804 R805 V811I803-R807 WeakPolarHBondContact O-CB 3.48Å; I803-R807 VanDerWaalsContact O-CG 3.27Å; I803-R807 WeakPolarHBondContact O-CG 3.35Å; I803-R807 PolarHBondContact O-N 3.35Å; E804-R807 PolarHBondContact O-N 3.11Å; R805-R807 VanDerWaalsContact C-N 3.33Å; R805-R807 PolarHBondContact O-N 3.28Å; R807-V811 WeakPolarHBondContact O-CB 3.45Å; R807-V811 VanDerWaalsContact O-CG2 3.27Å; R807-V811 WeakPolarHBondContact O-CG2 3.42Å; R807-V811 PolarHBondContact O-N 3.44Å; R807-V811 VanDerWaalsContact O-N 3.15Å
808T47.1Very low44.7Very low65 Ų65106.8 Ų106.840%0.39953%0.534SS..Hα-helixtrans-65.9-40.1178-36.30000111.2E804 R805 L806 V811 K812E804-T808 PolarHBondContact O-N 3.17Å; E804-T808 PolarHBondContact O-OG1 3.39Å; R805-T808 WeakPolarHBondContact O-CA 3.28Å; R805-T808 WeakPolarHBondContact O-CB 3.24Å; R805-T808 PolarHBondContact O-N 2.97Å; L806-T808 VanDerWaalsContact C-N 3.33Å; L806-T808 PolarHBondContact O-N 3.36Å; T808-V811 PolarHBondContact O-N 2.97Å; T808-K812 VanDerWaalsContact O-CG 3.32Å; T808-K812 WeakPolarHBondContact O-CG 3.48Å; T808-K812 PolarHBondContact O-N 3.16Å
809D45.8Very low44.9Very low64 Ų64105.4 Ų105.434%0.34253%0.532SS..Hα-helixtrans-77.6-27.4-174.4-61.9-30.4000112.5R805 L806 K812R805-D809 PolarHBondContact O-N 3Å; L806-D809 PolarHBondContact O-N 2.71Å; D809-K812 WeakPolarHBondContact OD1-CE 3.4Å; D809-K812 IonicContact OD1-NZ 2.67Å; D809-K812 PolarHBondContact OD1-NZ 3.3Å
810V44.3Very low45.2Very low90 Ų90105.8 Ų105.855%0.54553%0.531SS..Iπ-helixtrans-64.3-46163.4171.70000111.1L806 K812 G813L806-V810 WeakPolarHBondContact O-CG2 3.39Å; L806-V810 PolarHBondContact O-N 3.05Å; V810-K812 VanDerWaalsContact C-N 3.26Å; V810-K812 PolarHBondContact O-N 2.82Å; V810-G813 PolarHBondContact O-N 3.47Å
811V44.1Very low45.7Very low124 Ų124103.1 Ų103.175%0.75252%0.523SS*.Iπ-helixtrans-66.1-24.2179.9168.10000113.1R807 T808 G813R807-V811 WeakPolarHBondContact O-CB 3.45Å; R807-V811 VanDerWaalsContact O-CG2 3.27Å; R807-V811 WeakPolarHBondContact O-CG2 3.42Å; R807-V811 PolarHBondContact O-N 3.44Å; R807-V811 VanDerWaalsContact O-N 3.15Å; T808-V811 PolarHBondContact O-N 2.97Å; V811-G813 PolarHBondContact O-N 3.15Å
812K45.3Very low46.1Very low130 Ų13097.2 Ų97.257%0.56551%0.505SS*.Iπ-helixtrans-72.94174.7-73.7169.7-166163.80115T808 D809 V810 L814T808-K812 VanDerWaalsContact O-CG 3.32Å; T808-K812 WeakPolarHBondContact O-CG 3.48Å; T808-K812 PolarHBondContact O-N 3.16Å; D809-K812 WeakPolarHBondContact OD1-CE 3.4Å; D809-K812 IonicContact OD1-NZ 2.67Å; D809-K812 PolarHBondContact OD1-NZ 3.3Å; V810-K812 VanDerWaalsContact C-N 3.26Å; V810-K812 PolarHBondContact O-N 2.82Å; K812-L814 PolarHBondContact O-N 2.84Å
813G48.4Very low46.5Very low47 Ų4799.2 Ų99.249%0.48551%0.507SS..Iπ-helixtrans87.2-0.9167.600000116.5V810 V811 G815V810-G813 PolarHBondContact O-N 3.47Å; V811-G813 PolarHBondContact O-N 3.15Å; G813-G815 PolarHBondContact O-N 3.15Å
814L48Very low47.1Very low155 Ų155102.1 Ų102.181%0.81252%0.519SS*.Iπ-helixtrans-66-20.4171.1-78.4170.4000113.1K812K812-L814 PolarHBondContact O-N 2.84Å
815G46.1Very low47.6Very low17 Ų1797.8 Ų97.818%0.17550%0.5CS..SBendtrans-82.9-31.7-174.900000115.9G813 L818 L819G813-G815 PolarHBondContact O-N 3.15Å; G815-L818 CarbonylContact O-C 3.55Å; G815-L818 PolarHBondContact O-N 3.41Å; G815-L818 VanDerWaalsContact O-N 3.15Å; G815-L819 PolarHBondContact O-N 3.03Å
816V44.8Very low47.5Very low85 Ų8593.4 Ų93.452%0.51549%0.488SS..Hα-helixtrans-64.5-53.7-157.6-172.70000113.2L818 L819 D820V816-L818 PolarHBondContact O-N 2.91Å; V816-L818 VanDerWaalsContact O-N 3.16Å; V816-L819 WeakPolarHBondContact O-CB 3.07Å; V816-L819 PolarHBondContact O-N 3.32Å; V816-D820 PolarHBondContact O-N 2.9Å
817K44.2Very low47.9Very low183 Ų18396.1 Ų96.180%0.79650%0.498SS*.Hα-helixtrans-64.9-19.8179-67.9-175.4177.6-178.70114K821K817-K821 WeakPolarHBondContact O-CG 3.47Å
818L47.8Very low48.6Very low68 Ų6891.6 Ų91.636%0.35648%0.484SS..Hα-helixtrans-85.9-35.7173.1-172.762.8000110.7G815 V816 V822 M842G815-L818 CarbonylContact O-C 3.55Å; G815-L818 PolarHBondContact O-N 3.41Å; G815-L818 VanDerWaalsContact O-N 3.15Å; V816-L818 PolarHBondContact O-N 2.91Å; V816-L818 VanDerWaalsContact O-N 3.16Å; L818-V822 HydrophobicContact CD1-CG2 4.34Å; L818-V822 HydrophobicContact CG-CG2 4.31Å; L818-V822 VanDerWaalsContact O-CB 3.26Å; L818-V822 WeakPolarHBondContact O-CB 3.4Å; L818-V822 WeakPolarHBondContact O-CG2 3.47Å; L818-V822 PolarHBondContact O-N 3.4Å; L818-M842 HydrophobicContact CD1-CG 4.27Å
819L45.7Very low48.6Very low102 Ų10297.1 Ų97.153%0.53451%0.505SS..Hα-helixtrans-62.3-48.5172.7-111.972.3000111.8G815 V816 K821 V822 L823G815-L819 PolarHBondContact O-N 3.03Å; V816-L819 WeakPolarHBondContact O-CB 3.07Å; V816-L819 PolarHBondContact O-N 3.32Å; L819-K821 VanDerWaalsContact C-N 3.31Å; L819-K821 PolarHBondContact O-N 3.46Å; L819-V822 PolarHBondContact O-N 3.33Å; L819-V822 VanDerWaalsContact O-N 3.15Å; L819-L823 WeakPolarHBondContact O-CB 3.35Å; L819-L823 VanDerWaalsContact O-CG 3.27Å; L819-L823 WeakPolarHBondContact O-CG 3.5Å; L819-L823 PolarHBondContact O-N 2.99Å
820D45.8Very low49.3Very low97 Ų9797.3 Ų97.352%0.51951%0.506SS..Hα-helixtrans-57.7-46.5179.4-64.1-28.6000110.6V816 L823 E824V816-D820 PolarHBondContact O-N 2.9Å; D820-L823 PolarHBondContact O-N 3.23Å; D820-E824 WeakPolarHBondContact O-CB 3.39Å; D820-E824 PolarHBondContact O-N 2.7Å
821K50.5Low49.7Very low93 Ų9396.4 Ų96.440%0.40450%0.496SS..Hα-helixtrans-65.9-37.1175-78.4-176.6153.4-159.70114.2K817 L819 L823 V825K817-K821 WeakPolarHBondContact O-CG 3.47Å; L819-K821 VanDerWaalsContact C-N 3.31Å; L819-K821 PolarHBondContact O-N 3.46Å; K821-L823 VanDerWaalsContact C-N 3.34Å; K821-V825 WeakPolarHBondContact O-CB 3.44Å; K821-V825 VanDerWaalsContact O-CG2 3.23Å; K821-V825 WeakPolarHBondContact O-CG2 3.49Å; K821-V825 PolarHBondContact O-N 3.32Å
822V52.9Low50.5Low35 Ų3595.6 Ų95.621%0.21249%0.491CS..Hα-helixtrans-70.5-34.2177164.90000110.6L818 L819 M826 L838L818-V822 HydrophobicContact CD1-CG2 4.34Å; L818-V822 HydrophobicContact CG-CG2 4.31Å; L818-V822 VanDerWaalsContact O-CB 3.26Å; L818-V822 WeakPolarHBondContact O-CB 3.4Å; L818-V822 WeakPolarHBondContact O-CG2 3.47Å; L818-V822 PolarHBondContact O-N 3.4Å; L819-V822 PolarHBondContact O-N 3.33Å; L819-V822 VanDerWaalsContact O-N 3.15Å; V822-M826 HydrophobicContact CG1-SD 4.03Å; V822-M826 WeakPolarHBondContact O-CB 3.43Å; V822-M826 WeakPolarHBondContact O-CG 3.49Å; V822-M826 PolarHBondContact O-N 3.49Å; V822-L838 HydrophobicContact CB-CD2 4.45Å; V822-L838 HydrophobicContact CG1-CD2 4.18Å; V822-L838 HydrophobicContact CG2-CD2 3.89Å
823L48.8Very low51.2Low96 Ų9694.4 Ų94.450%0.50349%0.486SS..Hα-helixtrans-67.4-47.4172.3-71.6165.3000111.1L819 D820 K821 V825 M826 E827L819-L823 WeakPolarHBondContact O-CB 3.35Å; L819-L823 VanDerWaalsContact O-CG 3.27Å; L819-L823 WeakPolarHBondContact O-CG 3.5Å; L819-L823 PolarHBondContact O-N 2.99Å; D820-L823 PolarHBondContact O-N 3.23Å; K821-L823 VanDerWaalsContact C-N 3.34Å; L823-V825 VanDerWaalsContact C-N 3.32Å; L823-V825 PolarHBondContact O-N 3.44Å; L823-M826 WeakPolarHBondContact O-CA 3.49Å; L823-M826 WeakPolarHBondContact O-CB 3.47Å; L823-M826 PolarHBondContact O-N 2.95Å; L823-E827 PolarHBondContact O-N 3.44Å
824E56.8Low51.9Low136 Ų13694.2 Ų94.264%0.63647%0.471SS*.Hα-helixtrans-56.9-43.3173.6-174.6175.9-142.800111.7D820 M826 E827D820-E824 WeakPolarHBondContact O-CB 3.39Å; D820-E824 PolarHBondContact O-N 2.7Å; E824-M826 VanDerWaalsContact C-N 3.33Å; E824-M826 PolarHBondContact O-N 3.37Å; E824-E827 PolarHBondContact O-N 2.86Å
825V56.8Low52.4Low17 Ų1790.4 Ų90.410%0.10345%0.449CS..Hα-helixtrans-68.7-28.5173.5169.50000112.5K821 L823 E827 E828 R834 C837 L838K821-V825 WeakPolarHBondContact O-CB 3.44Å; K821-V825 VanDerWaalsContact O-CG2 3.23Å; K821-V825 WeakPolarHBondContact O-CG2 3.49Å; K821-V825 PolarHBondContact O-N 3.32Å; L823-V825 VanDerWaalsContact C-N 3.32Å; L823-V825 PolarHBondContact O-N 3.44Å; V825-E827 VanDerWaalsContact C-N 3.25Å; V825-E827 PolarHBondContact O-N 2.95Å; V825-E828 WeakPolarHBondContact O-CB 3.38Å; V825-E828 PolarHBondContact O-N 3.2Å; V825-R834 HydrophobicContact CG1-CG 3.96Å; V825-R834 WeakPolarHBondContact O-CG 3.41Å; V825-C837 HydrophobicContact CG1-CB 3.94Å; V825-C837 HydrophobicContact CG2-CB 4.13Å; V825-C837 VanDerWaalsContact CG2-SG 3.52Å; V825-L838 HydrophobicContact CG1-CD2 4.01Å; V825-L838 HydrophobicContact CG1-CG 3.85Å
826M47.5Very low53.5Low81 Ų8195.5 Ų95.540%0.39947%0.471SS..Hα-helixtrans-72.9-13.7175.1-79.3171.461.500113.7V729 V822 L823 E824V729-M826 HydrophobicContact CG2-CE 3.68Å; V822-M826 HydrophobicContact CG1-SD 4.03Å; V822-M826 WeakPolarHBondContact O-CB 3.43Å; V822-M826 WeakPolarHBondContact O-CG 3.49Å; V822-M826 PolarHBondContact O-N 3.49Å; L823-M826 WeakPolarHBondContact O-CA 3.49Å; L823-M826 WeakPolarHBondContact O-CB 3.47Å; L823-M826 PolarHBondContact O-N 2.95Å; E824-M826 VanDerWaalsContact C-N 3.33Å; E824-M826 PolarHBondContact O-N 3.37Å
827E50.9Low54.3Low166 Ų16693.7 Ų93.778%0.77646%0.462SS*.THydrogen-bonded Turntrans-80.4-15.9171.7-63.8-173.8168.800113.2L823 E824 V825 E829L823-E827 PolarHBondContact O-N 3.44Å; E824-E827 PolarHBondContact O-N 2.86Å; V825-E827 VanDerWaalsContact C-N 3.25Å; V825-E827 PolarHBondContact O-N 2.95Å; E827-E829 PolarHBondContact O-N 2.67Å
828E59.1Low54.9Low73 Ų7386.1 Ų86.134%0.34143%0.43SS..  trans-68.3113.6172.9171.669.9-111.600110.3V825 D830 K833 R834V825-E828 WeakPolarHBondContact O-CB 3.38Å; V825-E828 PolarHBondContact O-N 3.2Å; E828-D830 VanDerWaalsContact C-N 3.28Å; E828-D830 HydrophobicContact CG-CB 4.4Å; E828-D830 PolarHBondContact O-N 2.88Å; E828-D830 WeakPolarHBondContact OE1-CB 3.44Å; E828-D830 PolarHBondContact OE1-N 3.38Å; E828-K833 HydrophobicContact CG-CB 3.98Å; E828-K833 IonicContact OE1-NZ 3.22Å; E828-K833 PolarHBondContact OE1-NZ 2.79Å; E828-K833 IonicContact OE2-NZ 2.76Å; E828-K833 PolarHBondContact OE2-NZ 2.92Å; E828-R834 VanDerWaalsContact O-CZ 3.27Å; E828-R834 PolarHBondContact O-NE 2.86Å; E828-R834 PolarHBondContact O-NH2 3.35Å
829E47.8Very low55.9Low181 Ų18186.3 Ų86.385%0.84643%0.426SS*.SBendtrans-64.8-27.7-176.7-63-170.1155.500113.6E827 E831E827-E829 PolarHBondContact O-N 2.67Å; E829-E831 PolarHBondContact O-N 2.94Å
830D60.6Low57.1Low67 Ų6787 Ų8736%0.35843%0.43SS..  trans-77.2105.3178.7-176.2-22000111.6E828 V832 K833 R834E828-D830 VanDerWaalsContact C-N 3.28Å; E828-D830 HydrophobicContact CG-CB 4.4Å; E828-D830 PolarHBondContact O-N 2.88Å; E828-D830 WeakPolarHBondContact OE1-CB 3.44Å; E828-D830 PolarHBondContact OE1-N 3.38Å; D830-V832 PolarHBondContact O-N 3.48Å; D830-V832 WeakPolarHBondContact OD1-CB 3.37Å; D830-V832 PolarHBondContact OD1-N 2.94Å; D830-K833 HydrophobicContact CB-CB 4.07Å; D830-K833 HydrophobicContact CB-CG 4.37Å; D830-K833 PolarHBondContact O-N 3.45Å; D830-K833 PolarHBondContact OD1-N 3.45Å; D830-K833 WeakPolarHBondContact OD2-CE 3.43Å; D830-R834 WeakPolarHBondContact O-CB 3.17Å; D830-R834 PolarHBondContact O-N 3.36Å
831E51.2Low57.7Low72 Ų7285.7 Ų85.734%0.33642%0.421SS..Hα-helixtrans-55.1-30.9179.9-169.6159.7-129.500113.8M725 E829 E835M725-E831 HydrophobicContact CE-CG 3.83Å; M725-E831 VanDerWaalsContact CE-OE1 3.28Å; M725-E831 WeakPolarHBondContact CE-OE1 3.27Å; E829-E831 PolarHBondContact O-N 2.94Å; E831-E835 PolarHBondContact O-N 2.94Å; E831-E835 VanDerWaalsContact O-N 3.12Å
832V61.2Low58.2Low107 Ų10783.3 Ų83.365%0.64841%0.412SS*.Hα-helixtrans-79.7-41.8179.4-176.20000111D830 R834 E835 L836D830-V832 PolarHBondContact O-N 3.48Å; D830-V832 WeakPolarHBondContact OD1-CB 3.37Å; D830-V832 PolarHBondContact OD1-N 2.94Å; V832-R834 VanDerWaalsContact C-N 3.31Å; V832-E835 PolarHBondContact O-N 3.36Å; V832-L836 WeakPolarHBondContact O-CB 3.37Å; V832-L836 PolarHBondContact O-N 2.93Å; V832-L836 VanDerWaalsContact O-N 3.1Å
833K60.8Low58.8Low105 Ų10583.2 Ų83.246%0.45742%0.418SS..Hα-helixtrans-64-38.4171.4-78.9-170.3-85.4141.80111.5E828 D830 L836 C837E828-K833 HydrophobicContact CG-CB 3.98Å; E828-K833 IonicContact OE1-NZ 3.22Å; E828-K833 PolarHBondContact OE1-NZ 2.79Å; E828-K833 IonicContact OE2-NZ 2.76Å; E828-K833 PolarHBondContact OE2-NZ 2.92Å; D830-K833 HydrophobicContact CB-CB 4.07Å; D830-K833 HydrophobicContact CB-CG 4.37Å; D830-K833 PolarHBondContact O-N 3.45Å; D830-K833 PolarHBondContact OD1-N 3.45Å; D830-K833 WeakPolarHBondContact OD2-CE 3.43Å; K833-L836 PolarHBondContact O-N 3Å; K833-C837 WeakPolarHBondContact O-CB 3.15Å; K833-C837 PolarHBondContact O-N 3.19Å
834R63.6Low59.3Low43 Ų4383.1 Ų83.116%0.16242%0.418CS..Hα-helixtrans-59.8-48.8176.2-166.2-175.7-53.6150.86.8111.8V825 E828 D830 V832 L836 L838V825-R834 HydrophobicContact CG1-CG 3.96Å; V825-R834 WeakPolarHBondContact O-CG 3.41Å; E828-R834 VanDerWaalsContact O-CZ 3.27Å; E828-R834 PolarHBondContact O-NE 2.86Å; E828-R834 PolarHBondContact O-NH2 3.35Å; D830-R834 WeakPolarHBondContact O-CB 3.17Å; D830-R834 PolarHBondContact O-N 3.36Å; V832-R834 VanDerWaalsContact C-N 3.31Å; R834-L836 PolarHBondContact O-N 3.31Å; R834-L838 HydrophobicContact CG-CD1 4.32Å; R834-L838 WeakPolarHBondContact O-CB 3.23Å; R834-L838 VanDerWaalsContact O-CG 3.24Å; R834-L838 WeakPolarHBondContact O-CG 3.47Å; R834-L838 PolarHBondContact O-N 3.24Å
835E58.4Low59.2Low75 Ų7585 Ų8535%0.3543%0.426SS..Hα-helixtrans-59.2-45.6173.7172.4166.6-171.100111.8E831 V832 C837 L838 R839 Y847E831-E835 PolarHBondContact O-N 2.94Å; E831-E835 VanDerWaalsContact O-N 3.12Å; V832-E835 PolarHBondContact O-N 3.36Å; E835-C837 PolarHBondContact O-N 3.15Å; E835-L838 PolarHBondContact O-N 2.74Å; E835-R839 HydrophobicContact CG-CG 4.4Å; E835-R839 WeakPolarHBondContact O-CG 3.44Å; E835-R839 PolarHBondContact O-N 3.24Å; E835-R839 IonicContact OE1-CZ 3.8Å; E835-R839 IonicContact OE1-NE 3.63Å; E835-R839 PolarHBondContact OE1-NE 3.39Å; E835-R839 IonicContact OE1-NH2 2.78Å; E835-R839 PolarHBondContact OE1-NH2 2.82Å; E835-Y847 HydrophobicContact CG-CE1 4.32Å; E835-Y847 HydrophobicContact CG-CE2 4.45Å; E835-Y847 WeakPolarHBondContact CG-OH 3.31Å
836L67.4Low59Low123 Ų12390.5 Ų90.564%0.64445%0.449SS*.Hα-helixtrans-66-38.9-176-157.4132.7000112.3V832 K833 R834 R839 D840V832-L836 WeakPolarHBondContact O-CB 3.37Å; V832-L836 PolarHBondContact O-N 2.93Å; V832-L836 VanDerWaalsContact O-N 3.1Å; K833-L836 PolarHBondContact O-N 3Å; R834-L836 PolarHBondContact O-N 3.31Å; L836-R839 PolarHBondContact O-N 2.94Å; L836-D840 PolarHBondContact O-N 2.92Å
837C61.6Low59.9Low47 Ų4788.6 Ų88.632%0.31844%0.438SS..Hα-helixtrans-71.7-35.7175.6-159.10000112.3V825 K833 E835 R839 D840 Q841V825-C837 HydrophobicContact CG1-CB 3.94Å; V825-C837 HydrophobicContact CG2-CB 4.13Å; V825-C837 VanDerWaalsContact CG2-SG 3.52Å; K833-C837 WeakPolarHBondContact O-CB 3.15Å; K833-C837 PolarHBondContact O-N 3.19Å; E835-C837 PolarHBondContact O-N 3.15Å; C837-R839 VanDerWaalsContact C-N 3.34Å; C837-D840 PolarHBondContact O-N 3.24Å; C837-Q841 WeakPolarHBondContact O-CG 3.26Å; C837-Q841 PolarHBondContact O-N 3.36Å
838L58.2Low60.2Low24 Ų2484 Ų8413%0.12642%0.417CS..Hα-helixtrans-65.5-35.3171.7-72.7173.2000112.6V822 V825 R834 E835 M842 Y847V822-L838 HydrophobicContact CB-CD2 4.45Å; V822-L838 HydrophobicContact CG1-CD2 4.18Å; V822-L838 HydrophobicContact CG2-CD2 3.89Å; V825-L838 HydrophobicContact CG1-CD2 4.01Å; V825-L838 HydrophobicContact CG1-CG 3.85Å; R834-L838 HydrophobicContact CG-CD1 4.32Å; R834-L838 WeakPolarHBondContact O-CB 3.23Å; R834-L838 VanDerWaalsContact O-CG 3.24Å; R834-L838 WeakPolarHBondContact O-CG 3.47Å; R834-L838 PolarHBondContact O-N 3.24Å; E835-L838 PolarHBondContact O-N 2.74Å; L838-M842 HydrophobicContact CB-CE 4.25Å; L838-M842 HydrophobicContact CD2-CE 4.44Å; L838-M842 WeakPolarHBondContact O-CB 3.48Å; L838-M842 WeakPolarHBondContact O-CG 3.35Å; L838-M842 PolarHBondContact O-N 3.27Å; L838-Y847 HydrophobicContact CB-CD2 3.91Å; L838-Y847 HydrophobicContact CB-CE2 3.76Å; L838-Y847 HydrophobicContact CD1-CE2 4.4Å
839R68.8Low59.8Low72 Ų7283 Ų8327%0.27242%0.42SS..Hα-helixtrans-67.1-43.5172.5-74.2171.7177-88.50.1111.9E835 L836 C837 G843 D844 Y847E835-R839 HydrophobicContact CG-CG 4.4Å; E835-R839 WeakPolarHBondContact O-CG 3.44Å; E835-R839 PolarHBondContact O-N 3.24Å; E835-R839 IonicContact OE1-CZ 3.8Å; E835-R839 IonicContact OE1-NE 3.63Å; E835-R839 PolarHBondContact OE1-NE 3.39Å; E835-R839 IonicContact OE1-NH2 2.78Å; E835-R839 PolarHBondContact OE1-NH2 2.82Å; L836-R839 PolarHBondContact O-N 2.94Å; C837-R839 VanDerWaalsContact C-N 3.34Å; R839-G843 CarbonylContact O-C 3.6Å; R839-G843 WeakPolarHBondContact O-CA 3.35Å; R839-G843 PolarHBondContact O-N 3.21Å; R839-D844 WeakPolarHBondContact CD-OD1 3.27Å; R839-D844 WeakPolarHBondContact CG-OD1 3.35Å; R839-D844 IonicContact CZ-OD1 2.97Å; R839-D844 IonicContact NE-OD1 2.68Å; R839-D844 IonicContact NH1-OD1 2.63Å; R839-D844 PolarHBondContact NH1-OD1 3.3Å; R839-Y847 HydrophobicContact CG-CD1 3.69Å; R839-Y847 HydrophobicContact CG-CD2 3.88Å; R839-Y847 HydrophobicContact CG-CE1 4.11Å; R839-Y847 HydrophobicContact CG-CE2 4.28Å; R839-Y847 HydrophobicContact CG-CG 3.59Å
840D70.6Confident59.7Low116 Ų11680.4 Ų80.462%0.6240%0.404SS*.Hα-helixtrans-62.7-52177-179.576.3000112.3L836 C837 M842L836-D840 PolarHBondContact O-N 2.92Å; C837-D840 PolarHBondContact O-N 3.24Å; D840-M842 VanDerWaalsContact C-N 3.35Å; D840-M842 PolarHBondContact O-N 3.23Å
841Q58.6Low59.3Low71 Ų7178.1 Ų78.133%0.33239%0.394SS..Hα-helixtrans-69.8-26.1-176.9-64.1-59.5-61.900114.1C837C837-Q841 WeakPolarHBondContact O-CG 3.26Å; C837-Q841 PolarHBondContact O-N 3.36Å
842M59.9Low59.1Low42 Ų4277.3 Ų77.321%0.20739%0.394CS..Hα-helixtrans-105.5-22.2-178-60.3-163.3-67.600114.4L818 L838 D840 K846 Y847L818-M842 HydrophobicContact CD1-CG 4.27Å; L838-M842 HydrophobicContact CB-CE 4.25Å; L838-M842 HydrophobicContact CD2-CE 4.44Å; L838-M842 WeakPolarHBondContact O-CB 3.48Å; L838-M842 WeakPolarHBondContact O-CG 3.35Å; L838-M842 PolarHBondContact O-N 3.27Å; D840-M842 VanDerWaalsContact C-N 3.35Å; D840-M842 PolarHBondContact O-N 3.23Å; M842-K846 WeakPolarHBondContact O-CD 3.45Å; M842-Y847 HydrophobicContact CE-CD2 3.76Å
843G66.5Low58.3Low33 Ų3376.5 Ų76.534%0.3438%0.384SS..  trans81135.9-167.100000112.4R839 E845 K846 Y847R839-G843 CarbonylContact O-C 3.6Å; R839-G843 WeakPolarHBondContact O-CA 3.35Å; R839-G843 PolarHBondContact O-N 3.21Å; G843-E845 VanDerWaalsContact C-N 3.29Å; G843-E845 PolarHBondContact O-N 3.29Å; G843-E845 VanDerWaalsContact O-N 3.16Å; G843-K846 PolarHBondContact O-N 3.01Å; G843-Y847 PolarHBondContact O-N 2.81Å
844D59.6Low57.4Low94 Ų9474.1 Ų74.150%0.50338%0.379SS..Hα-helixtrans-50.3-42-175-90.7-40000114.2R839 K846 Y847 Q848R839-D844 WeakPolarHBondContact CD-OD1 3.27Å; R839-D844 WeakPolarHBondContact CG-OD1 3.35Å; R839-D844 IonicContact CZ-OD1 2.97Å; R839-D844 IonicContact NE-OD1 2.68Å; R839-D844 IonicContact NH1-OD1 2.63Å; R839-D844 PolarHBondContact NH1-OD1 3.3Å; D844-K846 VanDerWaalsContact C-N 3.34Å; D844-K846 PolarHBondContact O-N 3.36Å; D844-Y847 PolarHBondContact O-N 3.12Å; D844-Q848 VanDerWaalsContact O-CB 3.28Å; D844-Q848 WeakPolarHBondContact O-CB 3.5Å; D844-Q848 PolarHBondContact O-N 3.45Å
845E54.3Low56.6Low175 Ų17579.6 Ų79.682%0.81840%0.399SS*.Hα-helixtrans-62-40.9-179.8-62.2-169.7152.100112.5G843 A849G843-E845 VanDerWaalsContact C-N 3.29Å; G843-E845 PolarHBondContact O-N 3.29Å; G843-E845 VanDerWaalsContact O-N 3.16Å; E845-A849 WeakPolarHBondContact O-CB 3.38Å; E845-A849 PolarHBondContact O-N 3.26Å; E845-A849 VanDerWaalsContact O-N 3.09Å
846K53.2Low55.7Low134 Ų13480.1 Ų80.158%0.58340%0.401SS*.Hα-helixtrans-76.3-41.9177.9-60.6-174.8-161148.40110.7M842 G843 D844 Q848 A849 Y850M842-K846 WeakPolarHBondContact O-CD 3.45Å; G843-K846 PolarHBondContact O-N 3.01Å; D844-K846 VanDerWaalsContact C-N 3.34Å; D844-K846 PolarHBondContact O-N 3.36Å; K846-Q848 VanDerWaalsContact C-N 3.31Å; K846-Q848 PolarHBondContact O-N 3.37Å; K846-A849 PolarHBondContact O-N 3.11Å; K846-Y850 HydrophobicContact CB-CD2 4.49Å; K846-Y850 VanDerWaalsContact O-CD2 3.29Å; K846-Y850 WeakPolarHBondContact O-CD2 3.48Å; K846-Y850 PolarHBondContact O-N 3.27Å
847Y66.6Low54.4Low40 Ų4078.9 Ų78.916%0.15740%0.395CS..Hα-helixtrans-53.5-50.3173.6179.6-87000110.5E835 L838 R839 M842 G843 D844 A849 Y850 A851E835-Y847 HydrophobicContact CG-CE1 4.32Å; E835-Y847 HydrophobicContact CG-CE2 4.45Å; E835-Y847 WeakPolarHBondContact CG-OH 3.31Å; L838-Y847 HydrophobicContact CB-CD2 3.91Å; L838-Y847 HydrophobicContact CB-CE2 3.76Å; L838-Y847 HydrophobicContact CD1-CE2 4.4Å; R839-Y847 HydrophobicContact CG-CD1 3.69Å; R839-Y847 HydrophobicContact CG-CD2 3.88Å; R839-Y847 HydrophobicContact CG-CE1 4.11Å; R839-Y847 HydrophobicContact CG-CE2 4.28Å; R839-Y847 HydrophobicContact CG-CG 3.59Å; M842-Y847 HydrophobicContact CE-CD2 3.76Å; G843-Y847 PolarHBondContact O-N 2.81Å; D844-Y847 PolarHBondContact O-N 3.12Å; Y847-A849 PolarHBondContact O-N 3.4Å; Y847-Y850 PolarHBondContact O-N 3.21Å; Y847-A851 HydrophobicContact CE1-CB 4.33Å; Y847-A851 VanDerWaalsContact O-CB 3.23Å; Y847-A851 WeakPolarHBondContact O-CB 3.41Å; Y847-A851 PolarHBondContact O-N 3.28Å
848Q56.1Low53.4Low71 Ų7178.4 Ų78.433%0.33239%0.388SS..Hα-helixtrans-63.6-40.4179.2-163.771.48.400112.2D844 K846 V852D844-Q848 VanDerWaalsContact O-CB 3.28Å; D844-Q848 WeakPolarHBondContact O-CB 3.5Å; D844-Q848 PolarHBondContact O-N 3.45Å; K846-Q848 VanDerWaalsContact C-N 3.31Å; K846-Q848 PolarHBondContact O-N 3.37Å; Q848-V852 WeakPolarHBondContact O-CB 3.27Å; Q848-V852 VanDerWaalsContact O-CG2 3.28Å; Q848-V852 WeakPolarHBondContact O-CG2 3.5Å; Q848-V852 PolarHBondContact O-N 3.26Å
849A50.2Low52.7Low51 Ų5182.3 Ų82.342%0.42140%0.404SS..Hα-helixtrans-64.2-45.3176.700000112.6E845 K846 Y847 M853E845-A849 WeakPolarHBondContact O-CB 3.38Å; E845-A849 PolarHBondContact O-N 3.26Å; E845-A849 VanDerWaalsContact O-N 3.09Å; K846-A849 PolarHBondContact O-N 3.11Å; Y847-A849 PolarHBondContact O-N 3.4Å; A849-M853 PolarHBondContact O-N 2.79Å; A849-M853 VanDerWaalsContact O-N 3.14Å
850Y47.3Very low51.4Low127 Ų12784.8 Ų84.850%0.49842%0.417SS..Hα-helixtrans-70-40.2177.2-80.8-73.2000112.3K846 Y847 V852 M853 V854K846-Y850 HydrophobicContact CB-CD2 4.49Å; K846-Y850 VanDerWaalsContact O-CD2 3.29Å; K846-Y850 WeakPolarHBondContact O-CD2 3.48Å; K846-Y850 PolarHBondContact O-N 3.27Å; Y847-Y850 PolarHBondContact O-N 3.21Å; Y850-V852 VanDerWaalsContact C-N 3.3Å; Y850-V852 PolarHBondContact O-N 3.24Å; Y850-M853 HydrophobicContact CD1-CE 3.49Å; Y850-M853 VanDerWaalsContact CD1-CE 3.49Å; Y850-M853 HydrophobicContact CE1-CE 3.59Å; Y850-M853 HydrophobicContact CG-CE 4.18Å; Y850-M853 PolarHBondContact O-N 3.49Å; Y850-M853 VanDerWaalsContact O-N 3.11Å; Y850-V854 WeakPolarHBondContact O-CG2 3.28Å; Y850-V854 PolarHBondContact O-N 2.97Å
851A51.7Low49.8Very low19 Ų1983.6 Ų83.616%0.15741%0.407CS..Hα-helixtrans-59.9-39.4174.900000112.1Y847 R855Y847-A851 HydrophobicContact CE1-CB 4.33Å; Y847-A851 VanDerWaalsContact O-CB 3.23Å; Y847-A851 WeakPolarHBondContact O-CB 3.41Å; Y847-A851 PolarHBondContact O-N 3.28Å; A851-R855 WeakPolarHBondContact O-CB 3.32Å; A851-R855 VanDerWaalsContact O-CG 3.27Å; A851-R855 WeakPolarHBondContact O-CG 3.44Å; A851-R855 PolarHBondContact O-N 3.1Å
852V47Very low48.8Very low54 Ų5483.7 Ų83.733%0.32741%0.41SS..Hα-helixtrans-64.9-41.8173168.50000111.7Q848 Y850 Q856Q848-V852 WeakPolarHBondContact O-CB 3.27Å; Q848-V852 VanDerWaalsContact O-CG2 3.28Å; Q848-V852 WeakPolarHBondContact O-CG2 3.5Å; Q848-V852 PolarHBondContact O-N 3.26Å; Y850-V852 VanDerWaalsContact C-N 3.3Å; Y850-V852 PolarHBondContact O-N 3.24Å; V852-Q856 WeakPolarHBondContact O-CG 3.27Å; V852-Q856 PolarHBondContact O-N 3.22Å
853M43.1Very low47.9Very low90 Ų9085 Ų8544%0.44342%0.417SS..Hα-helixtrans-67.2-39.2176.4-71.6-166.2-6500112.9A849 Y850 Q856 L857A849-M853 PolarHBondContact O-N 2.79Å; A849-M853 VanDerWaalsContact O-N 3.14Å; Y850-M853 HydrophobicContact CD1-CE 3.49Å; Y850-M853 VanDerWaalsContact CD1-CE 3.49Å; Y850-M853 HydrophobicContact CE1-CE 3.59Å; Y850-M853 HydrophobicContact CG-CE 4.18Å; Y850-M853 PolarHBondContact O-N 3.49Å; Y850-M853 VanDerWaalsContact O-N 3.11Å; M853-Q856 PolarHBondContact O-N 3.03Å; M853-L857 WeakPolarHBondContact O-CB 3.42Å; M853-L857 PolarHBondContact O-N 3.19Å
854V43.3Very low46.5Very low56 Ų5686.3 Ų86.334%0.33943%0.425SS..Hα-helixtrans-63.1-45.4175.4168.70000110.9L728 Y850 Q856 L857 K858L728-V854 HydrophobicContact CD1-CG1 4.41Å; L728-V854 HydrophobicContact CD2-CG1 3.99Å; Y850-V854 WeakPolarHBondContact O-CG2 3.28Å; Y850-V854 PolarHBondContact O-N 2.97Å; V854-Q856 VanDerWaalsContact C-N 3.31Å; V854-Q856 PolarHBondContact O-N 3.27Å; V854-L857 PolarHBondContact O-N 3.3Å; V854-K858 PolarHBondContact O-N 3.36Å
855R45.8Very low45.4Very low158 Ų15887.7 Ų87.760%0.59644%0.437SS*.Hα-helixtrans-61.9-37175.3-71.6170.4-179179.20.8112.2A851 F859A851-R855 WeakPolarHBondContact O-CB 3.32Å; A851-R855 VanDerWaalsContact O-CG 3.27Å; A851-R855 WeakPolarHBondContact O-CG 3.44Å; A851-R855 PolarHBondContact O-N 3.1Å; R855-F859 WeakPolarHBondContact O-CB 3.48Å; R855-F859 PolarHBondContact O-N 3.13Å; R855-F859 VanDerWaalsContact O-N 3.09Å
856Q39.5Very low44.6Very low85 Ų8586.7 Ų86.740%0.39743%0.429SS..Hα-helixtrans-68.9-38.9173.1-73.6174.910.800112.7V852 M853 V854 F859 F860V852-Q856 WeakPolarHBondContact O-CG 3.27Å; V852-Q856 PolarHBondContact O-N 3.22Å; M853-Q856 PolarHBondContact O-N 3.03Å; V854-Q856 VanDerWaalsContact C-N 3.31Å; V854-Q856 PolarHBondContact O-N 3.27Å; Q856-F859 WeakPolarHBondContact O-CB 3.21Å; Q856-F859 PolarHBondContact O-N 3.41Å; Q856-F860 WeakPolarHBondContact O-CD2 3.4Å; Q856-F860 PolarHBondContact O-N 3.08Å; Q856-F860 VanDerWaalsContact O-N 3.15Å
857L40Very low43.8Very low97 Ų9790 Ų9051%0.50845%0.451SS..Hα-helixtrans-62.4-49.4174.9-90.5153.7000111.6M853 V854 F859 F860 E861M853-L857 WeakPolarHBondContact O-CB 3.42Å; M853-L857 PolarHBondContact O-N 3.19Å; V854-L857 PolarHBondContact O-N 3.3Å; L857-F859 VanDerWaalsContact C-N 3.32Å; L857-F859 PolarHBondContact O-N 3.08Å; L857-F860 PolarHBondContact O-N 3.09Å; L857-E861 PolarHBondContact O-N 2.87Å; L857-E861 VanDerWaalsContact O-N 3.14Å
858K41.4Very low42.6Very low38 Ų3892.5 Ų92.517%0.16547%0.466CS..Hα-helixtrans-58.6-43.5175.7-174.4167.9-174.4169.90111.7D724 D727 V854 F860 E861 D862D724-K858 IonicContact OD1-NZ 3.27Å; D724-K858 PolarHBondContact OD1-NZ 3.46Å; D727-K858 WeakPolarHBondContact OD2-CE 3.39Å; D727-K858 IonicContact OD2-NZ 2.72Å; D727-K858 PolarHBondContact OD2-NZ 2.6Å; V854-K858 PolarHBondContact O-N 3.36Å; K858-F860 PolarHBondContact O-N 2.96Å; K858-E861 PolarHBondContact O-N 2.86Å; K858-E861 VanDerWaalsContact O-N 3.1Å; K858-D862 WeakPolarHBondContact O-CB 3.49Å; K858-D862 PolarHBondContact O-N 3.32Å
859F43.1Very low41.9Very low106 Ų10693.6 Ų93.647%0.46547%0.473SS..Hα-helixtrans-55.5-35.1174.1169.6-92.9000113.4R855 Q856 L857 I863R855-F859 WeakPolarHBondContact O-CB 3.48Å; R855-F859 PolarHBondContact O-N 3.13Å; R855-F859 VanDerWaalsContact O-N 3.09Å; Q856-F859 WeakPolarHBondContact O-CB 3.21Å; Q856-F859 PolarHBondContact O-N 3.41Å; L857-F859 VanDerWaalsContact C-N 3.32Å; L857-F859 PolarHBondContact O-N 3.08Å; F859-I863 HydrophobicContact CD1-CD1 4.14Å; F859-I863 HydrophobicContact CD2-CD1 4.37Å; F859-I863 HydrophobicContact CE1-CD1 3.72Å; F859-I863 HydrophobicContact CE2-CD1 3.98Å; F859-I863 HydrophobicContact CG-CD1 4.45Å; F859-I863 HydrophobicContact CZ-CD1 3.64Å; F859-I863 VanDerWaalsContact O-CD1 3.3Å; F859-I863 WeakPolarHBondContact O-CD1 3.49Å; F859-I863 VanDerWaalsContact O-CG1 3.27Å; F859-I863 WeakPolarHBondContact O-CG1 3.45Å
860F41.7Very low41.4Very low124 Ų12495.9 Ų95.954%0.54448%0.476SS..Hα-helixtrans-76.7-33.6175.6-71.8-59.4000113.6Q856 L857 K858 A864Q856-F860 WeakPolarHBondContact O-CD2 3.4Å; Q856-F860 PolarHBondContact O-N 3.08Å; Q856-F860 VanDerWaalsContact O-N 3.15Å; L857-F860 PolarHBondContact O-N 3.09Å; K858-F860 PolarHBondContact O-N 2.96Å; F860-A864 PolarHBondContact O-N 3.05Å
861E37.7Very low41.1Very low90 Ų9094.1 Ų94.142%0.42148%0.475SS..Hα-helixtrans-72.9-41.2175.6-66-157.1142.500112.5M731 L857 K858 I863 A864 V865M731-E861 WeakPolarHBondContact CE-OE2 3.45Å; L857-E861 PolarHBondContact O-N 2.87Å; L857-E861 VanDerWaalsContact O-N 3.14Å; K858-E861 PolarHBondContact O-N 2.86Å; K858-E861 VanDerWaalsContact O-N 3.1Å; E861-I863 PolarHBondContact O-N 3.2Å; E861-I863 VanDerWaalsContact O-N 3.11Å; E861-A864 WeakPolarHBondContact O-CA 3.27Å; E861-A864 PolarHBondContact O-N 2.7Å; E861-V865 WeakPolarHBondContact O-CG2 3.44Å; E861-V865 PolarHBondContact O-N 3.43Å
862D37.6Very low40.4Very low73 Ų7398.8 Ų98.839%0.3950%0.495SS..Hα-helixtrans-59.7-23.8176.1-106.9-49.7000113.7K858 K866K858-D862 WeakPolarHBondContact O-CB 3.49Å; K858-D862 PolarHBondContact O-N 3.32Å; D862-K866 PolarHBondContact O-NZ 3.14Å; D862-K866 IonicContact OD1-NZ 2.83Å; D862-K866 PolarHBondContact OD1-NZ 3.41Å
863I40.6Very low40Very low69 Ų69101.8 Ų101.835%0.35451%0.506SS..Hα-helixtrans-84.2-36.4173-70.3171.4000111.1F859 E861F859-I863 HydrophobicContact CD1-CD1 4.14Å; F859-I863 HydrophobicContact CD2-CD1 4.37Å; F859-I863 HydrophobicContact CE1-CD1 3.72Å; F859-I863 HydrophobicContact CE2-CD1 3.98Å; F859-I863 HydrophobicContact CG-CD1 4.45Å; F859-I863 HydrophobicContact CZ-CD1 3.64Å; F859-I863 VanDerWaalsContact O-CD1 3.3Å; F859-I863 WeakPolarHBondContact O-CD1 3.49Å; F859-I863 VanDerWaalsContact O-CG1 3.27Å; F859-I863 WeakPolarHBondContact O-CG1 3.45Å; E861-I863 PolarHBondContact O-N 3.2Å; E861-I863 VanDerWaalsContact O-N 3.11Å
864A37.2Very low39.8Very low62 Ų62102.6 Ų102.651%0.51251%0.51SS..Hα-helixtrans-72.2-33.4179.300000113.3F860 E861 K866F860-A864 PolarHBondContact O-N 3.05Å; E861-A864 WeakPolarHBondContact O-CA 3.27Å; E861-A864 PolarHBondContact O-N 2.7Å; A864-K866 VanDerWaalsContact C-N 3.26Å; A864-K866 PolarHBondContact O-N 2.76Å
865V37Very low39.5Very low122 Ų122106.2 Ų106.274%0.73952%0.523SS*.THydrogen-bonded Turntrans-75.3-10.4-178.6173.90000113.1E861E861-V865 WeakPolarHBondContact O-CG2 3.44Å; E861-V865 PolarHBondContact O-N 3.43Å
866K36.9Very low39Very low154 Ų154101.9 Ų101.967%0.6752%0.517SS*.THydrogen-bonded Turntrans-110.131.2-177.6-60.3-175.5-175920113.8D862 A864D862-K866 PolarHBondContact O-NZ 3.14Å; D862-K866 IonicContact OD1-NZ 2.83Å; D862-K866 PolarHBondContact OD1-NZ 3.41Å; A864-K866 VanDerWaalsContact C-N 3.26Å; A864-K866 PolarHBondContact O-N 2.76Å
867I35Very low38.9Very low203 Ų203103.5 Ų103.5100%1.04153%0.528SS*.  trans-108.20-179.7-61.7-179.7000111.3

Retrieved 867 of 867 residues in 166.4 ms (Link to these results)

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