A0A3Q0KHN6_SCHMA Loading...

Serine/threonine-protein phosphatase 4 regulatory subunit 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KHN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 668 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
1M36.1Very low62.4Low205 Ų205106.7 Ų106.7100%1.0158%0.576SS**  0116.80-73164.7165.100108L3M1-L3 PolarHBondContact O-N 3.33Å
2T36Very low65Low140 Ų14098.8 Ų98.886%0.85953%0.533SS*.  trans-73.8112.7165.1130000107.7L4T2-L4 PolarHBondContact O-N 3.46Å; T2-L4 VanDerWaalsContact O-N 3.13Å
3L42.6Very low67.2Low97 Ų9794.6 Ų94.651%0.50851%0.51SS..  trans-68109.5172.3-65.2170.4000107.3M1 P5M1-L3 PolarHBondContact O-N 3.33Å; L3-P5 WeakPolarHBondContact O-CD 3.29Å
4L42.4Very low69.1Low139 Ų13993.4 Ų93.473%0.72851%0.511SS*.  trans-57.8123.9169.2-69.4177000107.6T2T2-L4 PolarHBondContact O-N 3.46Å; T2-L4 VanDerWaalsContact O-N 3.13Å
5P53.9Low70.7Confident81 Ų8188.5 Ų88.553%0.52649%0.487SS..  trans-58.2146.3177.920.2-28.4000110.3L3 E7L3-P5 WeakPolarHBondContact O-CD 3.29Å; P5-E7 HydrophobicContact CB-CG 3.99Å; P5-E7 HydrophobicContact CG-CG 3.68Å; P5-E7 PolarHBondContact O-N 3.43Å
6M60.7Low72.2Confident28 Ų2883.1 Ų83.114%0.13846%0.458CS..  trans-78.975.5167.3-177.8162.9134.500106.8N8 G9 I12 Y34 Q37 R45 L46M6-N8 PolarHBondContact O-N 3.12Å; M6-G9 PolarHBondContact O-N 3.19Å; M6-G9 VanDerWaalsContact O-N 3.07Å; M6-I12 HydrophobicContact CE-CB 4.22Å; M6-I12 HydrophobicContact CE-CD1 3.78Å; M6-I12 HydrophobicContact CE-CG2 4.05Å; M6-I12 HydrophobicContact CG-CD1 3.67Å; M6-I12 HydrophobicContact SD-CD1 4.18Å; M6-Y34 HydrophobicContact CE-CD2 3.93Å; M6-Y34 HydrophobicContact CE-CE2 3.53Å; M6-Y34 HydrophobicContact SD-CD2 3.95Å; M6-Y34 HydrophobicContact SD-CE2 3.75Å; M6-Q37 VanDerWaalsContact CG-OE1 3.3Å; M6-R45 HydrophobicContact CE-CB 4.15Å; M6-R45 HydrophobicContact SD-CB 3.93Å; M6-R45 HydrophobicContact SD-CG 4.03Å; M6-L46 HydrophobicContact CE-CD1 3.81Å; M6-L46 HydrophobicContact CE-CG 3.86Å
7E63.3Low73.5Confident179 Ų17982.9 Ų82.984%0.83645%0.451SS*.THydrogen-bonded Turntrans-59.3-13.2-162.6-68.6-174143.400114.9P5P5-E7 HydrophobicContact CB-CG 3.99Å; P5-E7 HydrophobicContact CG-CG 3.68Å; P5-E7 PolarHBondContact O-N 3.43Å
8N81Confident74.5Confident86 Ų8681 Ų8146%0.4645%0.445SS..THydrogen-bonded Turntrans-126.541.5177.2-163.112000112.9M6 E10 G11 I12M6-N8 PolarHBondContact O-N 3.12Å; N8-E10 PolarHBondContact O-N 2.96Å; N8-G11 PolarHBondContact O-N 3.34Å; N8-G11 WeakPolarHBondContact OD1-CA 3.34Å; N8-G11 PolarHBondContact OD1-N 3.4Å; N8-I12 WeakPolarHBondContact O-CG1 3.31Å; N8-I12 PolarHBondContact O-N 2.99Å
9G87.1Confident75.4Confident23 Ų2377.4 Ų77.424%0.23742%0.424CS..Hα-helixtrans-54.9-34.4-178.700000114.8M6 L13M6-G9 PolarHBondContact O-N 3.19Å; M6-G9 VanDerWaalsContact O-N 3.07Å; G9-L13 WeakPolarHBondContact O-CB 3.39Å; G9-L13 PolarHBondContact O-N 3.02Å
10E90.6Very high76.1Confident175 Ų17577.3 Ų77.382%0.81842%0.42SS*.Hα-helixtrans-69.9-43.2174.1-64.6-174.9172.400112.2N8 L13 C14N8-E10 PolarHBondContact O-N 2.96Å; E10-L13 PolarHBondContact O-N 3.11Å; E10-C14 WeakPolarHBondContact O-CB 3.31Å; E10-C14 PolarHBondContact O-N 2.99Å
11G92.2Very high76.7Confident21 Ų2181 Ų8122%0.21644%0.435CS..Hα-helixtrans-65.4-37175.800000113N8 C14 A15N8-G11 PolarHBondContact O-N 3.34Å; N8-G11 WeakPolarHBondContact OD1-CA 3.34Å; N8-G11 PolarHBondContact OD1-N 3.4Å; G11-C14 WeakPolarHBondContact O-CB 3.4Å; G11-C14 PolarHBondContact O-N 3.38Å; G11-A15 WeakPolarHBondContact O-CB 3.41Å; G11-A15 PolarHBondContact O-N 3.22Å
12I93.8Very high78.9Confident11 Ų1178.1 Ų78.16%0.05642%0.419CS..Hα-helixtrans-65.4-46.1173.1-66.3163.2000110.1M6 N8 C14 A15 L16 I30 L31 Y34 L46M6-I12 HydrophobicContact CE-CB 4.22Å; M6-I12 HydrophobicContact CE-CD1 3.78Å; M6-I12 HydrophobicContact CE-CG2 4.05Å; M6-I12 HydrophobicContact CG-CD1 3.67Å; M6-I12 HydrophobicContact SD-CD1 4.18Å; N8-I12 WeakPolarHBondContact O-CG1 3.31Å; N8-I12 PolarHBondContact O-N 2.99Å; I12-C14 VanDerWaalsContact C-N 3.29Å; I12-C14 PolarHBondContact O-N 2.9Å; I12-A15 PolarHBondContact O-N 2.85Å; I12-L16 HydrophobicContact CG2-CD1 4.23Å; I12-L16 HydrophobicContact CG2-CG 4.43Å; I12-L16 WeakPolarHBondContact O-CG 3.46Å; I12-L16 PolarHBondContact O-N 3.49Å; I12-I30 HydrophobicContact CG1-CD1 4.2Å; I12-I30 HydrophobicContact CG1-CG1 4Å; I12-L31 HydrophobicContact CG2-CD2 4.32Å; I12-Y34 HydrophobicContact CD1-CD2 4.19Å; I12-Y34 HydrophobicContact CG2-CD1 3.81Å; I12-Y34 HydrophobicContact CG2-CD2 3.78Å; I12-Y34 HydrophobicContact CG2-CE1 4.11Å; I12-Y34 HydrophobicContact CG2-CE2 4.08Å; I12-Y34 HydrophobicContact CG2-CG 3.63Å; I12-L46 HydrophobicContact CB-CD1 4.47Å; I12-L46 HydrophobicContact CG2-CD1 3.81Å
13L93.9Very high81Confident45 Ų4577.2 Ų77.224%0.23640%0.403CS..Hα-helixtrans-63.1-34.7176.5-178.960000112.6G9 E10 K17 L46 Y50G9-L13 WeakPolarHBondContact O-CB 3.39Å; G9-L13 PolarHBondContact O-N 3.02Å; E10-L13 PolarHBondContact O-N 3.11Å; L13-K17 WeakPolarHBondContact O-CG 3.3Å; L13-K17 PolarHBondContact O-N 2.84Å; L13-L46 HydrophobicContact CB-CD1 4.1Å; L13-L46 HydrophobicContact CB-CD2 4.15Å; L13-L46 HydrophobicContact CD1-CD1 4.43Å; L13-L46 HydrophobicContact CD1-CD2 4.37Å; L13-L46 HydrophobicContact CD2-CD2 4.45Å; L13-Y50 HydrophobicContact CD1-CD2 3.5Å; L13-Y50 HydrophobicContact CD1-CE2 3.74Å; L13-Y50 HydrophobicContact CD1-CG 3.95Å
14C93.7Very high82.7Confident78 Ų7874.1 Ų74.153%0.52739%0.389SS..Hα-helixtrans-64.2-50.9172-169.90000110.9E10 G11 I12 L16 K17 C18E10-C14 WeakPolarHBondContact O-CB 3.31Å; E10-C14 PolarHBondContact O-N 2.99Å; G11-C14 WeakPolarHBondContact O-CB 3.4Å; G11-C14 PolarHBondContact O-N 3.38Å; I12-C14 VanDerWaalsContact C-N 3.29Å; I12-C14 PolarHBondContact O-N 2.9Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-L16 PolarHBondContact O-N 3.12Å; C14-K17 PolarHBondContact O-N 3Å; C14-K17 VanDerWaalsContact O-N 3.15Å; C14-C18 PolarHBondContact O-N 3.16Å
15A93.9Very high84.3Confident19 Ų1975.8 Ų75.816%0.15740%0.398CS..Hα-helixtrans-60.5-39.417900000113G11 I12 C18 F19 I30 L31G11-A15 WeakPolarHBondContact O-CB 3.41Å; G11-A15 PolarHBondContact O-N 3.22Å; I12-A15 PolarHBondContact O-N 2.85Å; A15-C18 PolarHBondContact O-N 3.14Å; A15-F19 VanDerWaalsContact O-CB 3.23Å; A15-F19 WeakPolarHBondContact O-CB 3.47Å; A15-F19 PolarHBondContact O-N 3.22Å; A15-I30 HydrophobicContact CB-CG2 3.75Å; A15-L31 HydrophobicContact CB-CD1 4.47Å; A15-L31 HydrophobicContact CB-CD2 3.79Å; A15-L31 HydrophobicContact CB-CG 4.13Å
16L94.8Very high86Confident2 Ų275.6 Ų75.61%0.0140%0.398CS..Hα-helixtrans-61.1-44.5174.1-71173.6000111.8I12 C14 F19 E20 L31 Y34 L46 Y50 L54I12-L16 HydrophobicContact CG2-CD1 4.23Å; I12-L16 HydrophobicContact CG2-CG 4.43Å; I12-L16 WeakPolarHBondContact O-CG 3.46Å; I12-L16 PolarHBondContact O-N 3.49Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-L16 PolarHBondContact O-N 3.12Å; L16-F19 PolarHBondContact O-N 3.23Å; L16-E20 WeakPolarHBondContact O-CB 3.41Å; L16-E20 PolarHBondContact O-N 3.32Å; L16-L31 HydrophobicContact CD2-CD1 4.07Å; L16-L31 HydrophobicContact CD2-CD2 3.65Å; L16-L31 HydrophobicContact CD2-CG 4.48Å; L16-L31 HydrophobicContact CG-CD2 3.85Å; L16-Y34 HydrophobicContact CD1-CE1 3.96Å; L16-Y34 HydrophobicContact CD2-CD1 4.48Å; L16-Y34 HydrophobicContact CD2-CE1 4.28Å; L16-L46 HydrophobicContact CD1-CD1 3.6Å; L16-Y50 WeakPolarHBondContact CD2-O 3.23Å; L16-L54 HydrophobicContact CD2-CB 3.96Å; L16-L54 HydrophobicContact CD2-CD2 3.56Å; L16-L54 HydrophobicContact CD2-CG 4.34Å
17K93.1Very high87.5Confident80 Ų8074.7 Ų74.735%0.34839%0.394SS..Hα-helixtrans-66.9-37.4178.4-72.6174.4178.7-177.40112.6L13 C14 Q21 Y50L13-K17 WeakPolarHBondContact O-CG 3.3Å; L13-K17 PolarHBondContact O-N 2.84Å; C14-K17 PolarHBondContact O-N 3Å; C14-K17 VanDerWaalsContact O-N 3.15Å; K17-Q21 WeakPolarHBondContact O-CG 3.29Å; K17-Q21 PolarHBondContact O-N 3.47Å; K17-Q21 PolarHBondContact O-NE2 3.25Å; K17-Y50 HydrophobicContact CG-CD1 4.27Å; K17-Y50 HydrophobicContact CG-CE1 4.1Å
18C92.3Very high88.9Confident49 Ų4968.4 Ų68.433%0.33137%0.368SS..Hα-helixtrans-66.5-44.3172.7-68.70000111.1C14 A15 E20 Q21 E22C14-C18 PolarHBondContact O-N 3.16Å; A15-C18 PolarHBondContact O-N 3.14Å; C18-E20 VanDerWaalsContact C-N 3.33Å; C18-E20 PolarHBondContact O-N 2.89Å; C18-Q21 PolarHBondContact O-N 3.24Å; C18-Q21 VanDerWaalsContact O-N 3.13Å; C18-E22 WeakPolarHBondContact O-CB 3.45Å; C18-E22 PolarHBondContact O-N 3.45Å
19F91.8Very high89.5Confident12 Ų1268.6 Ų68.65%0.05337%0.374CS..Hα-helixtrans-59.4-40178.5-177.2-93.2000113A15 L16 K23 P24 I27 L31 L54 H57A15-F19 VanDerWaalsContact O-CB 3.23Å; A15-F19 WeakPolarHBondContact O-CB 3.47Å; A15-F19 PolarHBondContact O-N 3.22Å; L16-F19 PolarHBondContact O-N 3.23Å; F19-K23 WeakPolarHBondContact O-CA 3.31Å; F19-K23 PolarHBondContact O-N 3.35Å; F19-P24 HydrophobicContact CD2-CG 3.5Å; F19-P24 HydrophobicContact CE2-CG 3.74Å; F19-P24 HydrophobicContact CG-CG 4.46Å; F19-P24 WeakPolarHBondContact O-CD 3.35Å; F19-I27 HydrophobicContact CE2-CB 4.47Å; F19-I27 HydrophobicContact CE2-CG1 4.09Å; F19-I27 HydrophobicContact CZ-CG1 4.16Å; F19-L31 HydrophobicContact CB-CD1 3.77Å; F19-L31 HydrophobicContact CD2-CD1 4.05Å; F19-L31 HydrophobicContact CG-CD1 3.88Å; F19-L54 HydrophobicContact CD1-CD1 4.49Å; F19-L54 HydrophobicContact CE1-CB 4.42Å; F19-L54 HydrophobicContact CE1-CD1 4.12Å; F19-L54 HydrophobicContact CZ-CD1 4.17Å; F19-H57 HydrophobicContact CE1-CB 4.05Å; F19-H57 HydrophobicContact CZ-CB 3.79Å; F19-H57 AromaticContact CZ-CD2 3.78Å; F19-H57 AromaticContact CZ-CG 3.58Å; F19-H57 AromaticContact CZ-ND1 3.92Å
20E89.7Confident89.8Confident76 Ų7670.2 Ų70.236%0.35538%0.377SS..Hα-helixtrans-66.7-33.2176.1-173.4169.2-144.400113.1L16 C18L16-E20 WeakPolarHBondContact O-CB 3.41Å; L16-E20 PolarHBondContact O-N 3.32Å; C18-E20 VanDerWaalsContact C-N 3.33Å; C18-E20 PolarHBondContact O-N 2.89Å
21Q87.3Confident90Very high154 Ų15461.9 Ų61.972%0.7234%0.338SS*.Hα-helixtrans-82-43.9178.2-74.716890.400113.2K17 C18K17-Q21 WeakPolarHBondContact O-CG 3.29Å; K17-Q21 PolarHBondContact O-N 3.47Å; K17-Q21 PolarHBondContact O-NE2 3.25Å; C18-Q21 PolarHBondContact O-N 3.24Å; C18-Q21 VanDerWaalsContact O-N 3.13Å
22E82.9Confident90.1Very high146 Ų14663 Ų6368%0.68234%0.337SS*.Hα-helixtrans-85.1-17-174.6-66.9176.9-176.300112.9C18 P24C18-E22 WeakPolarHBondContact O-CB 3.45Å; C18-E22 PolarHBondContact O-N 3.45Å; E22-P24 VanDerWaalsContact C-CD 3.47Å; E22-P24 VanDerWaalsContact C-N 3.28Å
23K79.5Confident90.2Very high121 Ų12167.3 Ų67.353%0.52636%0.361SS..  trans40.748.5-176-63.2179.6177.4175.70113F19 E662F19-K23 WeakPolarHBondContact O-CA 3.31Å; F19-K23 PolarHBondContact O-N 3.35Å; K23-E662 IonicContact NZ-OE1 3.28Å; K23-E662 PolarHBondContact NZ-OE1 3.18Å; K23-E662 VanDerWaalsContact NZ-OE1 3.1Å; K23-E662 IonicContact NZ-OE2 3.36Å; K23-E662 PolarHBondContact NZ-OE2 3.27Å
24P78.1Confident90.2Very high32 Ų3265.3 Ų65.321%0.20835%0.35CS..  trans-68.1145.1-167.830-35.9000111.8F19 E22 S26 H57F19-P24 HydrophobicContact CD2-CG 3.5Å; F19-P24 HydrophobicContact CE2-CG 3.74Å; F19-P24 HydrophobicContact CG-CG 4.46Å; F19-P24 WeakPolarHBondContact O-CD 3.35Å; E22-P24 VanDerWaalsContact C-CD 3.47Å; E22-P24 VanDerWaalsContact C-N 3.28Å; P24-S26 PolarHBondContact O-N 3.38Å; P24-H57 PolarHBondContact O-CE1 2.98Å
25L77Confident90.4Very high174 Ų17461.7 Ų61.791%0.91133%0.326SS*.SBendtrans-59.3-7.6177.9-65.2171.5000114.8
26S88.4Confident90.4Very high77 Ų7764.5 Ų64.554%0.53833%0.334SS..SBendtrans-144.8132.2-179.564.70000111.3P24 P28P24-S26 PolarHBondContact O-N 3.38Å; S26-P28 WeakPolarHBondContact O-CD 3.22Å
27I93.1Very high90.4Very high9 Ų966.4 Ų66.45%0.04634%0.343CS..  trans-65.6124.5174.8-56174.1000110.4F19 L31 E32 L54 K58 K61F19-I27 HydrophobicContact CE2-CB 4.47Å; F19-I27 HydrophobicContact CE2-CG1 4.09Å; F19-I27 HydrophobicContact CZ-CG1 4.16Å; I27-L31 HydrophobicContact CG2-CB 3.6Å; I27-E32 HydrophobicContact CB-CG 4.16Å; I27-E32 HydrophobicContact CG2-CG 3.83Å; I27-L54 HydrophobicContact CD1-CD1 4.06Å; I27-L54 HydrophobicContact CG1-CD1 4.18Å; I27-L54 HydrophobicContact CG2-CD1 3.69Å; I27-K58 HydrophobicContact CD1-CB 3.71Å; I27-K58 HydrophobicContact CD1-CD 3.52Å; I27-K58 HydrophobicContact CD1-CG 4.19Å; I27-K61 HydrophobicContact CD1-CD 4.09Å; I27-K61 HydrophobicContact CG1-CD 4.32Å
28P92.8Very high90.6Very high46 Ų4662.6 Ų62.630%0.29933%0.327SS..  trans-60.1146.6173.7-26.235.5000113.1S26 I30 L31 E32S26-P28 WeakPolarHBondContact O-CD 3.22Å; P28-I30 VanDerWaalsContact C-N 3.29Å; P28-I30 HydrophobicContact CB-CG2 4.17Å; P28-I30 PolarHBondContact O-N 2.68Å; P28-I30 VanDerWaalsContact O-N 3.14Å; P28-L31 PolarHBondContact O-N 3.07Å; P28-E32 PolarHBondContact O-N 2.93Å
29P93Very high90.8Very high90 Ų9060.7 Ų60.758%0.58431%0.314SS*.Hα-helixtrans-54.2-37.8-176.5-29.435.9000115.1L31 E32 D33P29-L31 PolarHBondContact O-N 2.79Å; P29-E32 PolarHBondContact O-N 2.82Å; P29-E32 VanDerWaalsContact O-N 3.14Å; P29-D33 PolarHBondContact O-N 3.13Å
30I93.1Very high90.9Very high58 Ų5868.4 Ų68.430%0.29734%0.342SS..Hα-helixtrans-58.5-28.9175.6-173.2170.7000113.3I12 A15 P28 Y34I12-I30 HydrophobicContact CG1-CD1 4.2Å; I12-I30 HydrophobicContact CG1-CG1 4Å; A15-I30 HydrophobicContact CB-CG2 3.75Å; P28-I30 VanDerWaalsContact C-N 3.29Å; P28-I30 HydrophobicContact CB-CG2 4.17Å; P28-I30 PolarHBondContact O-N 2.68Å; P28-I30 VanDerWaalsContact O-N 3.14Å; I30-Y34 WeakPolarHBondContact O-CB 3.34Å; I30-Y34 PolarHBondContact O-N 2.89Å
31L94.9Very high91.1Very high0 Ų066.7 Ų66.70%034%0.336CS..Hα-helixtrans-87.6-30.3177.5-63.1-170.9000112.4I12 A15 L16 F19 I27 P28 P29 Y34 I35 L54I12-L31 HydrophobicContact CG2-CD2 4.32Å; A15-L31 HydrophobicContact CB-CD1 4.47Å; A15-L31 HydrophobicContact CB-CD2 3.79Å; A15-L31 HydrophobicContact CB-CG 4.13Å; L16-L31 HydrophobicContact CD2-CD1 4.07Å; L16-L31 HydrophobicContact CD2-CD2 3.65Å; L16-L31 HydrophobicContact CD2-CG 4.48Å; L16-L31 HydrophobicContact CG-CD2 3.85Å; F19-L31 HydrophobicContact CB-CD1 3.77Å; F19-L31 HydrophobicContact CD2-CD1 4.05Å; F19-L31 HydrophobicContact CG-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CB 3.6Å; P28-L31 PolarHBondContact O-N 3.07Å; P29-L31 PolarHBondContact O-N 2.79Å; L31-Y34 PolarHBondContact O-N 3.14Å; L31-I35 WeakPolarHBondContact O-CD1 3.07Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.17Å; L31-I35 PolarHBondContact O-N 3.14Å; L31-L54 HydrophobicContact CB-CD1 4.05Å; L31-L54 HydrophobicContact CB-CD2 3.93Å; L31-L54 HydrophobicContact CD1-CD1 4.1Å; L31-L54 HydrophobicContact CD1-CD2 4.35Å; L31-L54 HydrophobicContact CD2-CD2 4.38Å; L31-L54 HydrophobicContact CG-CD2 4.44Å
32E95.4Very high91.4Very high43 Ų4360 Ų6020%0.20131%0.308CS..Hα-helixtrans-65.4-45.3168.8-63.9-74.7-154.100110.9I27 P28 P29 Y34 I35 K36 K58 K61I27-E32 HydrophobicContact CB-CG 4.16Å; I27-E32 HydrophobicContact CG2-CG 3.83Å; P28-E32 PolarHBondContact O-N 2.93Å; P29-E32 PolarHBondContact O-N 2.82Å; P29-E32 VanDerWaalsContact O-N 3.14Å; E32-Y34 VanDerWaalsContact C-N 3.28Å; E32-Y34 PolarHBondContact O-N 2.6Å; E32-I35 PolarHBondContact O-N 2.72Å; E32-K36 WeakPolarHBondContact O-CB 3.37Å; E32-K36 PolarHBondContact O-N 2.67Å; E32-K58 IonicContact OE1-NZ 2.98Å; E32-K58 PolarHBondContact OE1-NZ 3.22Å; E32-K58 WeakPolarHBondContact OE2-CE 3.42Å; E32-K58 IonicContact OE2-NZ 3.9Å; E32-K58 PolarHBondContact OE2-NZ 3.39Å; E32-K61 IonicContact OE1-NZ 3.1Å; E32-K61 PolarHBondContact OE1-NZ 3.14Å
33D94.7Very high92Very high103 Ų10354.3 Ų54.355%0.55128%0.281SS*.Hα-helixtrans-63.6-32.2174.5-82.2-36.1000112.6P29 K36 Q37P29-D33 PolarHBondContact O-N 3.13Å; D33-K36 CarbonylContact O-C 3.5Å; D33-K36 PolarHBondContact O-N 2.98Å; D33-Q37 PolarHBondContact O-N 3.15Å
34Y95.6Very high92.7Very high2 Ų248.6 Ų48.61%0.00826%0.257CS..Hα-helixtrans-68-44.7173.4170.8-123.7000112.3M6 I12 L16 I30 L31 E32 K36 Q37 I38 T44 V51 L54M6-Y34 HydrophobicContact CE-CD2 3.93Å; M6-Y34 HydrophobicContact CE-CE2 3.53Å; M6-Y34 HydrophobicContact SD-CD2 3.95Å; M6-Y34 HydrophobicContact SD-CE2 3.75Å; I12-Y34 HydrophobicContact CD1-CD2 4.19Å; I12-Y34 HydrophobicContact CG2-CD1 3.81Å; I12-Y34 HydrophobicContact CG2-CD2 3.78Å; I12-Y34 HydrophobicContact CG2-CE1 4.11Å; I12-Y34 HydrophobicContact CG2-CE2 4.08Å; I12-Y34 HydrophobicContact CG2-CG 3.63Å; L16-Y34 HydrophobicContact CD1-CE1 3.96Å; L16-Y34 HydrophobicContact CD2-CD1 4.48Å; L16-Y34 HydrophobicContact CD2-CE1 4.28Å; I30-Y34 WeakPolarHBondContact O-CB 3.34Å; I30-Y34 PolarHBondContact O-N 2.89Å; L31-Y34 PolarHBondContact O-N 3.14Å; E32-Y34 VanDerWaalsContact C-N 3.28Å; E32-Y34 PolarHBondContact O-N 2.6Å; Y34-K36 PolarHBondContact O-N 3.2Å; Y34-Q37 PolarHBondContact O-N 3.47Å; Y34-Q37 VanDerWaalsContact O-N 3.08Å; Y34-I38 HydrophobicContact CD1-CD1 4.31Å; Y34-I38 HydrophobicContact CD2-CD1 4.22Å; Y34-I38 HydrophobicContact CD2-CG1 4.42Å; Y34-I38 HydrophobicContact CE1-CD1 3.89Å; Y34-I38 HydrophobicContact CE2-CD1 3.78Å; Y34-I38 HydrophobicContact CE2-CG1 4.11Å; Y34-I38 HydrophobicContact CG-CD1 4.47Å; Y34-I38 WeakPolarHBondContact O-CG1 3.48Å; Y34-I38 PolarHBondContact O-N 3.33Å; Y34-T44 WeakPolarHBondContact CE2-O 3.45Å; Y34-T44 PolarHBondContact OH-O 3.12Å; Y34-V51 HydrophobicContact CE1-CG1 4.42Å; Y34-V51 HydrophobicContact CE1-CG2 4.37Å; Y34-V51 WeakPolarHBondContact OH-CG2 3.5Å; Y34-L54 HydrophobicContact CD1-CD2 3.96Å; Y34-L54 HydrophobicContact CE1-CD2 4.34Å
35I96.2Very high93.4Very high2 Ų251.2 Ų51.21%0.0126%0.262CS..Hα-helixtrans-57.5-42.2172-67.3159.1000110.2L31 E32 Q37 I38 S39 L54 L55 K58 C109 F112L31-I35 WeakPolarHBondContact O-CD1 3.07Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.17Å; L31-I35 PolarHBondContact O-N 3.14Å; E32-I35 PolarHBondContact O-N 2.72Å; I35-Q37 VanDerWaalsContact C-N 3.32Å; I35-Q37 PolarHBondContact O-N 3.01Å; I35-I38 PolarHBondContact O-N 2.8Å; I35-S39 PolarHBondContact O-N 2.71Å; I35-L54 HydrophobicContact CD1-CD1 4.12Å; I35-L54 HydrophobicContact CD1-CD2 4.02Å; I35-L54 HydrophobicContact CD1-CG 4.01Å; I35-L54 HydrophobicContact CG1-CD2 4Å; I35-L54 HydrophobicContact CG1-CG 4.4Å; I35-L55 HydrophobicContact CG1-CD2 4.3Å; I35-K58 HydrophobicContact CD1-CB 4.2Å; I35-K58 HydrophobicContact CD1-CD 3.94Å; I35-K58 HydrophobicContact CD1-CG 3.92Å; I35-C109 HydrophobicContact CG2-CB 4.09Å; I35-F112 HydrophobicContact CG2-CB 4.39Å
36K95.5Very high94.2Very high78 Ų7843.8 Ų43.834%0.33922%0.223SC..Hα-helixtrans-70.6-19.8176.8-173.9169.7-167168.20114.5E32 D33 Y34 S39 R40 D113E32-K36 WeakPolarHBondContact O-CB 3.37Å; E32-K36 PolarHBondContact O-N 2.67Å; D33-K36 CarbonylContact O-C 3.5Å; D33-K36 PolarHBondContact O-N 2.98Å; Y34-K36 PolarHBondContact O-N 3.2Å; K36-S39 WeakPolarHBondContact CA-OG 3.41Å; K36-S39 PolarHBondContact O-OG 3.16Å; K36-R40 WeakPolarHBondContact O-CD 3.4Å; K36-R40 VanDerWaalsContact O-CG 3.29Å; K36-R40 WeakPolarHBondContact O-CG 3.22Å; K36-D113 WeakPolarHBondContact CG-OD1 3.48Å
37Q94.8Very high94.5Very high42 Ų4243.3 Ų43.320%0.19622%0.218CC..Hα-helixtrans-77.4-43.6167.4-169.9167.627.800110.3M6 D33 Y34 I35 S39 R40 N41M6-Q37 VanDerWaalsContact CG-OE1 3.3Å; D33-Q37 PolarHBondContact O-N 3.15Å; Y34-Q37 PolarHBondContact O-N 3.47Å; Y34-Q37 VanDerWaalsContact O-N 3.08Å; I35-Q37 VanDerWaalsContact C-N 3.32Å; I35-Q37 PolarHBondContact O-N 3.01Å; Q37-S39 VanDerWaalsContact C-N 3.35Å; Q37-S39 PolarHBondContact O-N 3.24Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-R40 VanDerWaalsContact O-N 3.12Å; Q37-N41 VanDerWaalsContact O-CG 3.24Å; Q37-N41 PolarHBondContact O-N 2.83Å; Q37-N41 PolarHBondContact O-OD1 3.1Å; Q37-N41 VanDerWaalsContact O-OD1 3.05Å
38I96.3Very high94.6Very high1 Ų143.9 Ų43.91%0.00522%0.22CC..Hα-helixtrans-62.6-39.8176.8-60.8163.6000111.4Y34 I35 R40 N41 G42 T44 V51 I105 C109Y34-I38 HydrophobicContact CD1-CD1 4.31Å; Y34-I38 HydrophobicContact CD2-CD1 4.22Å; Y34-I38 HydrophobicContact CD2-CG1 4.42Å; Y34-I38 HydrophobicContact CE1-CD1 3.89Å; Y34-I38 HydrophobicContact CE2-CD1 3.78Å; Y34-I38 HydrophobicContact CE2-CG1 4.11Å; Y34-I38 HydrophobicContact CG-CD1 4.47Å; Y34-I38 WeakPolarHBondContact O-CG1 3.48Å; Y34-I38 PolarHBondContact O-N 3.33Å; I35-I38 PolarHBondContact O-N 2.8Å; I38-R40 PolarHBondContact O-N 3.1Å; I38-R40 VanDerWaalsContact O-N 3.13Å; I38-N41 WeakPolarHBondContact CA-OD1 3.28Å; I38-N41 PolarHBondContact O-N 3.42Å; I38-G42 PolarHBondContact O-N 3Å; I38-T44 HydrophobicContact CD1-CG2 4.22Å; I38-V51 HydrophobicContact CD1-CG1 4.38Å; I38-I105 HydrophobicContact CG2-CG1 3.81Å; I38-C109 HydrophobicContact CB-CB 4.12Å; I38-C109 HydrophobicContact CG2-CB 3.96Å; I38-C109 WeakPolarHBondContact CG2-SG 3.38Å
39S96.2Very high94.7Very high8 Ų846.8 Ų46.86%0.05623%0.232CC..Hα-helixtrans-59.7-22.1176.271.90000113.2I35 K36 Q37 Q106 E110 D113I35-S39 PolarHBondContact O-N 2.71Å; K36-S39 WeakPolarHBondContact CA-OG 3.41Å; K36-S39 PolarHBondContact O-OG 3.16Å; Q37-S39 VanDerWaalsContact C-N 3.35Å; Q37-S39 PolarHBondContact O-N 3.24Å; S39-Q106 VanDerWaalsContact O-CG 3.27Å; S39-Q106 WeakPolarHBondContact O-CG 3.36Å; S39-E110 WeakPolarHBondContact O-CG 3.32Å; S39-D113 PolarHBondContact OG-OD2 2.82Å
40R95Very high94.8Very high174 Ų17445.6 Ų45.666%0.65722%0.216SC*.Hα-helixtrans-97.1-22.9-178.4-66.9170.2174.4-171.6-8.2114.5K36 Q37 I38K36-R40 WeakPolarHBondContact O-CD 3.4Å; K36-R40 VanDerWaalsContact O-CG 3.29Å; K36-R40 WeakPolarHBondContact O-CG 3.22Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-R40 VanDerWaalsContact O-N 3.12Å; I38-R40 PolarHBondContact O-N 3.1Å; I38-R40 VanDerWaalsContact O-N 3.13Å
41N92.9Very high95Very high41 Ų4142.9 Ų42.922%0.21920%0.202CC..Hα-helixtrans-132.4-14.8-169.672.75.9000115.8Q37 I38 Q43Q37-N41 VanDerWaalsContact O-CG 3.24Å; Q37-N41 PolarHBondContact O-N 2.83Å; Q37-N41 PolarHBondContact O-OD1 3.1Å; Q37-N41 VanDerWaalsContact O-OD1 3.05Å; I38-N41 WeakPolarHBondContact CA-OD1 3.28Å; I38-N41 PolarHBondContact O-N 3.42Å; N41-Q43 PolarHBondContact O-N 3.5Å; N41-Q43 PolarHBondContact OD1-N 3.15Å; N41-Q43 PolarHBondContact OD1-O 3.3Å
42G94.1Very high95Very high12 Ų1244.9 Ų44.912%0.12421%0.211CC..SBendtrans67.113.4-176.300000116I38 I105I38-G42 PolarHBondContact O-N 3Å; G42-I105 WeakPolarHBondContact O-CG2 3.35Å
43Q94.5Very high95Very high28 Ų2844.5 Ų44.513%0.13121%0.212CC..  trans-117.7111-175.3-61.6-178.1-29.800110.6N41 R45 Y142N41-Q43 PolarHBondContact O-N 3.5Å; N41-Q43 PolarHBondContact OD1-N 3.15Å; N41-Q43 PolarHBondContact OD1-O 3.3Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 VanDerWaalsContact OE1-NE 3.08Å; Q43-Y142 WeakPolarHBondContact CG-O 3.49Å; Q43-Y142 PolarHBondContact NE2-O 3.25Å
44T94.8Very high95.1Very high1 Ų139.7 Ų39.71%0.00619%0.186CC..  trans-71-29.8176.364.40000112.7Y34 I38 L46 V51 I101 I105 P141Y34-T44 WeakPolarHBondContact CE2-O 3.45Å; Y34-T44 PolarHBondContact OH-O 3.12Å; I38-T44 HydrophobicContact CD1-CG2 4.22Å; T44-L46 PolarHBondContact O-N 3.03Å; T44-L46 PolarHBondContact OG1-N 3.46Å; T44-L46 PolarHBondContact OG1-O 2.88Å; T44-V51 HydrophobicContact CG2-CG1 4.24Å; T44-V51 HydrophobicContact CG2-CG2 4.4Å; T44-I101 HydrophobicContact CG2-CD1 4.11Å; T44-I101 HydrophobicContact CG2-CG2 3.97Å; T44-I101 VanDerWaalsContact OG1-CD1 3.32Å; T44-I101 WeakPolarHBondContact OG1-CD1 3.42Å; T44-I105 HydrophobicContact CG2-CG1 4.09Å; T44-P141 PolarHBondContact N-O 3.13Å; T44-P141 WeakPolarHBondContact OG1-CA 3.48Å
45R93Very high95.2Very high87 Ų8739.6 Ų39.633%0.32819%0.186SC..  trans56.8-10.2-168.4-52.9-51.6-168.5109.1-2.7115.8M6 Q43 P141M6-R45 HydrophobicContact CE-CB 4.15Å; M6-R45 HydrophobicContact SD-CB 3.93Å; M6-R45 HydrophobicContact SD-CG 4.03Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 VanDerWaalsContact OE1-NE 3.08Å; R45-P141 WeakPolarHBondContact CA-O 3.44Å; R45-P141 PolarHBondContact N-O 2.84Å
46L94Very high95.2Very high18 Ų1840 Ų409%0.09419%0.188CC..SBendtrans-119.5148.8178.4-59.5176.9000111.1M6 I12 L13 L16 T44 V51M6-L46 HydrophobicContact CE-CD1 3.81Å; M6-L46 HydrophobicContact CE-CG 3.86Å; I12-L46 HydrophobicContact CB-CD1 4.47Å; I12-L46 HydrophobicContact CG2-CD1 3.81Å; L13-L46 HydrophobicContact CB-CD1 4.1Å; L13-L46 HydrophobicContact CB-CD2 4.15Å; L13-L46 HydrophobicContact CD1-CD1 4.43Å; L13-L46 HydrophobicContact CD1-CD2 4.37Å; L13-L46 HydrophobicContact CD2-CD2 4.45Å; L16-L46 HydrophobicContact CD1-CD1 3.6Å; T44-L46 PolarHBondContact O-N 3.03Å; T44-L46 PolarHBondContact OG1-N 3.46Å; T44-L46 PolarHBondContact OG1-O 2.88Å; L46-V51 HydrophobicContact CB-CG2 4.36Å
47P94.1Very high95.2Very high67 Ų6738.1 Ų38.144%0.43518%0.18SC..  trans-57.6144.8178.3-26.735.6000113.9I49 Y50P47-I49 HydrophobicContact CB-CG2 4.2Å; P47-I49 PolarHBondContact O-N 2.84Å; P47-I49 VanDerWaalsContact O-N 3.09Å; P47-Y50 HydrophobicContact CB-CD2 4.45Å; P47-Y50 PolarHBondContact O-N 3.47Å; P47-Y50 VanDerWaalsContact O-N 3.14Å
48W95.6Very high95.3Very high21 Ų2137 Ų378%0.0818%0.175CC..Hα-helixtrans-52.8-36.3-174.7-173.4-130.8000114.3Y50 V51 K52 L55 L98 G100 I101 I105W48-Y50 PolarHBondContact O-N 2.84Å; W48-Y50 VanDerWaalsContact O-N 3.15Å; W48-V51 HydrophobicContact CE3-CB 4.01Å; W48-V51 HydrophobicContact CE3-CG1 4.31Å; W48-V51 HydrophobicContact CZ3-CB 4.25Å; W48-V51 HydrophobicContact CZ3-CG1 4.09Å; W48-V51 PolarHBondContact O-N 3.15Å; W48-K52 HydrophobicContact CD2-CB 4.09Å; W48-K52 HydrophobicContact CH2-CB 4.46Å; W48-K52 HydrophobicContact CZ2-CB 3.99Å; W48-K52 HydrophobicContact CZ2-CD 4.46Å; W48-K52 HydrophobicContact CZ2-CG 4.04Å; W48-K52 WeakPolarHBondContact O-CB 3.27Å; W48-K52 PolarHBondContact O-N 3.15Å; W48-L55 HydrophobicContact CH2-CD1 3.78Å; W48-L55 HydrophobicContact CZ3-CD1 3.68Å; W48-L98 HydrophobicContact CZ2-CB 4.01Å; W48-L98 HydrophobicContact CZ2-CD1 4.42Å; W48-L98 PolarHBondContact NE1-O 3.38Å; W48-G100 VanDerWaalsContact CD1-C 3.43Å; W48-G100 VanDerWaalsContact CD1-CA 3.42Å; W48-G100 PolarHBondContact NE1-O 3.42Å; W48-I101 HydrophobicContact CB-CG1 3.74Å; W48-I101 HydrophobicContact CD2-CG1 4.24Å; W48-I101 HydrophobicContact CE3-CB 4.31Å; W48-I101 HydrophobicContact CE3-CG1 3.96Å; W48-I101 HydrophobicContact CE3-CG2 4.43Å; W48-I101 HydrophobicContact CG-CG1 4.19Å; W48-I105 HydrophobicContact CH2-CD1 4.24Å; W48-I105 HydrophobicContact CZ3-CD1 3.79Å
49I95.3Very high95.3Very high106 Ų10637 Ų3754%0.54418%0.175SC..Hα-helixtrans-52.5-36.7-179.5-169.662.8000113.1P47 P53P47-I49 HydrophobicContact CB-CG2 4.2Å; P47-I49 PolarHBondContact O-N 2.84Å; P47-I49 VanDerWaalsContact O-N 3.09Å; I49-P53 WeakPolarHBondContact O-CD 3.33Å; I49-P53 WeakPolarHBondContact O-CG 3.23Å
50Y95Very high95.3Very high66 Ų6636.9 Ų36.926%0.25917%0.174SC..Hα-helixtrans-86-20.5178.4-57.3-56.7000113.5L13 L16 K17 P47 W48L13-Y50 HydrophobicContact CD1-CD2 3.5Å; L13-Y50 HydrophobicContact CD1-CE2 3.74Å; L13-Y50 HydrophobicContact CD1-CG 3.95Å; L16-Y50 WeakPolarHBondContact CD2-O 3.23Å; K17-Y50 HydrophobicContact CG-CD1 4.27Å; K17-Y50 HydrophobicContact CG-CE1 4.1Å; P47-Y50 HydrophobicContact CB-CD2 4.45Å; P47-Y50 PolarHBondContact O-N 3.47Å; P47-Y50 VanDerWaalsContact O-N 3.14Å; W48-Y50 PolarHBondContact O-N 2.84Å; W48-Y50 VanDerWaalsContact O-N 3.15Å
51V96Very high95.2Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-92-33.9-174.8-171.90000111.3Y34 I38 T44 L46 W48 L54 L55Y34-V51 HydrophobicContact CE1-CG1 4.42Å; Y34-V51 HydrophobicContact CE1-CG2 4.37Å; Y34-V51 WeakPolarHBondContact OH-CG2 3.5Å; I38-V51 HydrophobicContact CD1-CG1 4.38Å; T44-V51 HydrophobicContact CG2-CG1 4.24Å; T44-V51 HydrophobicContact CG2-CG2 4.4Å; L46-V51 HydrophobicContact CB-CG2 4.36Å; W48-V51 HydrophobicContact CE3-CB 4.01Å; W48-V51 HydrophobicContact CE3-CG1 4.31Å; W48-V51 HydrophobicContact CZ3-CB 4.25Å; W48-V51 HydrophobicContact CZ3-CG1 4.09Å; W48-V51 PolarHBondContact O-N 3.15Å; V51-L54 PolarHBondContact O-N 3.31Å; V51-L55 HydrophobicContact CG1-CD1 3.81Å; V51-L55 HydrophobicContact CG1-CG 4.22Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.3Å; V51-L55 VanDerWaalsContact O-N 3.09Å
52K96.2Very high95.3Very high42 Ų4231.1 Ų31.118%0.18315%0.152CC..Hα-helixtrans-58.6-46.5-179.9-176.6-179.3-176169.90113.4W48 L54 L55 L56 K96 L98W48-K52 HydrophobicContact CD2-CB 4.09Å; W48-K52 HydrophobicContact CH2-CB 4.46Å; W48-K52 HydrophobicContact CZ2-CB 3.99Å; W48-K52 HydrophobicContact CZ2-CD 4.46Å; W48-K52 HydrophobicContact CZ2-CG 4.04Å; W48-K52 WeakPolarHBondContact O-CB 3.27Å; W48-K52 PolarHBondContact O-N 3.15Å; K52-L54 PolarHBondContact O-N 2.91Å; K52-L55 PolarHBondContact O-N 2.91Å; K52-L56 HydrophobicContact CG-CD1 4.09Å; K52-L56 WeakPolarHBondContact O-CG 3.48Å; K52-L56 PolarHBondContact O-N 3.28Å; K52-K96 WeakPolarHBondContact CE-O 3Å; K52-K96 PolarHBondContact NZ-O 3.02Å; K52-L98 WeakPolarHBondContact CE-O 3.42Å; K52-L98 PolarHBondContact NZ-O 2.89Å
53P95.6Very high95.4Very high36 Ų3630.6 Ų30.623%0.23415%0.147CC..Hα-helixtrans-62.7-42.3178.3-22.434.1000112.7I49 L55 L56 H57I49-P53 WeakPolarHBondContact O-CD 3.33Å; I49-P53 WeakPolarHBondContact O-CG 3.23Å; P53-L55 VanDerWaalsContact C-N 3.35Å; P53-L55 PolarHBondContact O-N 3.07Å; P53-L56 PolarHBondContact O-N 2.8Å; P53-H57 PolarHBondContact O-N 2.85Å
54L96.6Very high95.3Very high1 Ų130.7 Ų30.71%0.00515%0.148CC..Hα-helixtrans-59.4-44.3175.6173.361.6000111.7L16 F19 I27 L31 Y34 I35 V51 K52 H57 K58L16-L54 HydrophobicContact CD2-CB 3.96Å; L16-L54 HydrophobicContact CD2-CD2 3.56Å; L16-L54 HydrophobicContact CD2-CG 4.34Å; F19-L54 HydrophobicContact CD1-CD1 4.49Å; F19-L54 HydrophobicContact CE1-CB 4.42Å; F19-L54 HydrophobicContact CE1-CD1 4.12Å; F19-L54 HydrophobicContact CZ-CD1 4.17Å; I27-L54 HydrophobicContact CD1-CD1 4.06Å; I27-L54 HydrophobicContact CG1-CD1 4.18Å; I27-L54 HydrophobicContact CG2-CD1 3.69Å; L31-L54 HydrophobicContact CB-CD1 4.05Å; L31-L54 HydrophobicContact CB-CD2 3.93Å; L31-L54 HydrophobicContact CD1-CD1 4.1Å; L31-L54 HydrophobicContact CD1-CD2 4.35Å; L31-L54 HydrophobicContact CD2-CD2 4.38Å; L31-L54 HydrophobicContact CG-CD2 4.44Å; Y34-L54 HydrophobicContact CD1-CD2 3.96Å; Y34-L54 HydrophobicContact CE1-CD2 4.34Å; I35-L54 HydrophobicContact CD1-CD1 4.12Å; I35-L54 HydrophobicContact CD1-CD2 4.02Å; I35-L54 HydrophobicContact CD1-CG 4.01Å; I35-L54 HydrophobicContact CG1-CD2 4Å; I35-L54 HydrophobicContact CG1-CG 4.4Å; V51-L54 PolarHBondContact O-N 3.31Å; K52-L54 PolarHBondContact O-N 2.91Å; L54-H57 PolarHBondContact O-N 2.96Å; L54-K58 VanDerWaalsContact O-CB 3.26Å; L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 PolarHBondContact O-N 2.98Å
55L96.9Very high95.2Very high1 Ų133.3 Ų33.31%0.00517%0.166CC..Hα-helixtrans-72.2-31.1-179.2-68.1175.5000113.3I35 W48 V51 K52 P53 Y59 I105 F112I35-L55 HydrophobicContact CG1-CD2 4.3Å; W48-L55 HydrophobicContact CH2-CD1 3.78Å; W48-L55 HydrophobicContact CZ3-CD1 3.68Å; V51-L55 HydrophobicContact CG1-CD1 3.81Å; V51-L55 HydrophobicContact CG1-CG 4.22Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.3Å; V51-L55 VanDerWaalsContact O-N 3.09Å; K52-L55 PolarHBondContact O-N 2.91Å; P53-L55 VanDerWaalsContact C-N 3.35Å; P53-L55 PolarHBondContact O-N 3.07Å; L55-Y59 WeakPolarHBondContact O-CB 3.31Å; L55-Y59 PolarHBondContact O-N 3.22Å; L55-I105 HydrophobicContact CD1-CD1 3.65Å; L55-F112 HydrophobicContact CB-CE2 4.26Å; L55-F112 HydrophobicContact CD2-CD2 3.83Å; L55-F112 HydrophobicContact CD2-CE2 4Å
56L96.6Very high95.1Very high10 Ų1029.4 Ų29.45%0.05215%0.152CC..Hα-helixtrans-67.6-42.8172.3-70.3169.4000111.7K52 P53 Y59 N60 F92 L95 K96K52-L56 HydrophobicContact CG-CD1 4.09Å; K52-L56 WeakPolarHBondContact O-CG 3.48Å; K52-L56 PolarHBondContact O-N 3.28Å; P53-L56 PolarHBondContact O-N 2.8Å; L56-Y59 WeakPolarHBondContact O-CB 3.45Å; L56-Y59 PolarHBondContact O-N 3.02Å; L56-N60 PolarHBondContact O-N 3.08Å; L56-F92 HydrophobicContact CB-CE2 3.96Å; L56-F92 HydrophobicContact CB-CZ 4.22Å; L56-F92 HydrophobicContact CD2-CD2 4.16Å; L56-F92 HydrophobicContact CD2-CE2 3.61Å; L56-F92 HydrophobicContact CD2-CZ 3.79Å; L56-F92 HydrophobicContact CG-CE2 4.35Å; L56-F92 HydrophobicContact CG-CZ 4.43Å; L56-L95 HydrophobicContact CD2-CB 4.19Å; L56-L95 HydrophobicContact CD2-CD2 4.04Å; L56-L95 HydrophobicContact CD2-CG 3.83Å; L56-K96 HydrophobicContact CD1-CB 4.47Å; L56-K96 HydrophobicContact CD1-CG 4.33Å; L56-K96 HydrophobicContact CD2-CB 3.95Å
57H95.5Very high94.8Very high38 Ų3829.8 Ų29.818%0.17615%0.154CC..Hα-helixtrans-68.3-41.6174.1-177.8111.4000111.8F19 P24 P53 L54 Y59 N60 K61F19-H57 HydrophobicContact CE1-CB 4.05Å; F19-H57 HydrophobicContact CZ-CB 3.79Å; F19-H57 AromaticContact CZ-CD2 3.78Å; F19-H57 AromaticContact CZ-CG 3.58Å; F19-H57 AromaticContact CZ-ND1 3.92Å; P24-H57 PolarHBondContact O-CE1 2.98Å; P53-H57 PolarHBondContact O-N 2.85Å; L54-H57 PolarHBondContact O-N 2.96Å; H57-Y59 VanDerWaalsContact C-N 3.26Å; H57-Y59 PolarHBondContact O-N 3.21Å; H57-N60 PolarHBondContact O-N 2.86Å; H57-K61 PolarHBondContact O-N 3.45Å; H57-K61 VanDerWaalsContact O-N 3.11Å
58K96.2Very high94.6Very high20 Ų2029.5 Ų29.59%0.08715%0.153CC..Hα-helixtrans-59.2-37.8175-17968.4177.7-175.50111.7I27 E32 I35 L54 V62 F112I27-K58 HydrophobicContact CD1-CB 3.71Å; I27-K58 HydrophobicContact CD1-CD 3.52Å; I27-K58 HydrophobicContact CD1-CG 4.19Å; E32-K58 IonicContact OE1-NZ 2.98Å; E32-K58 PolarHBondContact OE1-NZ 3.22Å; E32-K58 WeakPolarHBondContact OE2-CE 3.42Å; E32-K58 IonicContact OE2-NZ 3.9Å; E32-K58 PolarHBondContact OE2-NZ 3.39Å; I35-K58 HydrophobicContact CD1-CB 4.2Å; I35-K58 HydrophobicContact CD1-CD 3.94Å; I35-K58 HydrophobicContact CD1-CG 3.92Å; L54-K58 VanDerWaalsContact O-CB 3.26Å; L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 PolarHBondContact O-N 2.98Å; K58-V62 HydrophobicContact CD-CG2 3.95Å; K58-V62 HydrophobicContact CG-CG2 4.15Å; K58-V62 WeakPolarHBondContact O-CB 3.39Å; K58-V62 VanDerWaalsContact O-CG2 3.23Å; K58-V62 WeakPolarHBondContact O-CG2 3.41Å; K58-V62 PolarHBondContact O-N 2.98Å; K58-F112 HydrophobicContact CB-CD2 4.31Å; K58-F112 HydrophobicContact CD-CB 4.44Å; K58-F112 WeakPolarHBondContact CE-O 3.46Å; K58-F112 HydrophobicContact CG-CB 3.76Å; K58-F112 HydrophobicContact CG-CD2 3.77Å; K58-F112 HydrophobicContact CG-CG 3.85Å; K58-F112 PolarHBondContact NZ-O 3.41Å
59Y97.2Very high94Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-56.3-53.2174.7171.3-90.5000111.9L55 L56 H57 V62 V63 R88 V91 F92 L95 F112 L126 L129L55-Y59 WeakPolarHBondContact O-CB 3.31Å; L55-Y59 PolarHBondContact O-N 3.22Å; L56-Y59 WeakPolarHBondContact O-CB 3.45Å; L56-Y59 PolarHBondContact O-N 3.02Å; H57-Y59 VanDerWaalsContact C-N 3.26Å; H57-Y59 PolarHBondContact O-N 3.21Å; Y59-V62 PolarHBondContact O-N 3.4Å; Y59-V63 HydrophobicContact CD1-CG2 4.46Å; Y59-V63 HydrophobicContact CD2-CG2 4.11Å; Y59-V63 HydrophobicContact CE1-CG2 4.16Å; Y59-V63 HydrophobicContact CE2-CG2 3.76Å; Y59-V63 HydrophobicContact CG-CG2 4.47Å; Y59-V63 WeakPolarHBondContact O-CB 3.47Å; Y59-V63 WeakPolarHBondContact O-CG2 3.36Å; Y59-V63 PolarHBondContact O-N 2.69Å; Y59-R88 HydrophobicContact CE1-CG 4.25Å; Y59-R88 WeakPolarHBondContact OH-CA 3.37Å; Y59-R88 PolarHBondContact OH-O 3.05Å; Y59-V91 HydrophobicContact CE2-CB 4.28Å; Y59-V91 HydrophobicContact CE2-CG1 3.62Å; Y59-F92 HydrophobicContact CD1-CB 4.34Å; Y59-F92 AromaticContact CD1-CD2 3.54Å; Y59-F92 HydrophobicContact CD1-CD2 3.54Å; Y59-F92 HydrophobicContact CD1-CE2 4.38Å; Y59-F92 HydrophobicContact CD1-CG 4.43Å; Y59-F92 HydrophobicContact CE1-CB 3.77Å; Y59-F92 AromaticContact CE1-CD2 3.83Å; Y59-F92 HydrophobicContact CE1-CD2 3.83Å; Y59-F92 HydrophobicContact CE1-CG 4.29Å; Y59-F92 HydrophobicContact CG-CD2 4.37Å; Y59-L95 HydrophobicContact CD2-CD2 4.44Å; Y59-L95 HydrophobicContact CG-CD2 4.42Å; Y59-F112 HydrophobicContact CD2-CE1 4.04Å; Y59-F112 HydrophobicContact CD2-CZ 4.09Å; Y59-F112 HydrophobicContact CG-CZ 4.47Å; Y59-L126 HydrophobicContact CE2-CD2 4.07Å; Y59-L126 WeakPolarHBondContact OH-CD2 3.36Å; Y59-L129 HydrophobicContact CD2-CD2 3.7Å; Y59-L129 HydrophobicContact CE2-CD2 3.72Å
60N95.6Very high92.7Very high6 Ų629.4 Ų29.43%0.03216%0.155CC..Hα-helixtrans-58.6-56.1178.7-78.9-24.2000110.2L56 H57 V62 V63 D64 R88 N658 I659L56-N60 PolarHBondContact O-N 3.08Å; H57-N60 PolarHBondContact O-N 2.86Å; N60-V62 PolarHBondContact O-N 3.27Å; N60-V63 PolarHBondContact O-N 3.37Å; N60-D64 VanDerWaalsContact C-OD2 3.28Å; N60-D64 WeakPolarHBondContact O-CB 3.39Å; N60-D64 PolarHBondContact O-N 2.69Å; N60-R88 PolarHBondContact OD1-NH2 2.78Å; N60-N658 PolarHBondContact ND2-OD1 2.99Å; N60-I659 PolarHBondContact ND2-O 2.9Å
61K94.2Very high90.9Very high84 Ų8429.3 Ų29.337%0.36516%0.164SC..Hα-helixtrans-49.3-41.3178.2-176.3-177176-172.30113.1I27 E32 H57 S65I27-K61 HydrophobicContact CD1-CD 4.09Å; I27-K61 HydrophobicContact CG1-CD 4.32Å; E32-K61 IonicContact OE1-NZ 3.1Å; E32-K61 PolarHBondContact OE1-NZ 3.14Å; H57-K61 PolarHBondContact O-N 3.45Å; H57-K61 VanDerWaalsContact O-N 3.11Å; K61-S65 VanDerWaalsContact O-CB 3.31Å; K61-S65 WeakPolarHBondContact O-CB 3.49Å; K61-S65 PolarHBondContact O-N 3.35Å
62V95.1Very high89Confident10 Ų1032.5 Ų32.56%0.06120%0.197CC..Hα-helixtrans-72.4-42.9178.1167.60000112.1K58 Y59 N60 F66 F112 P115 F125K58-V62 HydrophobicContact CD-CG2 3.95Å; K58-V62 HydrophobicContact CG-CG2 4.15Å; K58-V62 WeakPolarHBondContact O-CB 3.39Å; K58-V62 VanDerWaalsContact O-CG2 3.23Å; K58-V62 WeakPolarHBondContact O-CG2 3.41Å; K58-V62 PolarHBondContact O-N 2.98Å; Y59-V62 PolarHBondContact O-N 3.4Å; N60-V62 PolarHBondContact O-N 3.27Å; V62-F66 WeakPolarHBondContact O-CB 3.48Å; V62-F66 PolarHBondContact O-N 3.38Å; V62-F112 HydrophobicContact CB-CD1 4.46Å; V62-F112 HydrophobicContact CG1-CD1 4.36Å; V62-F112 HydrophobicContact CG2-CB 4.36Å; V62-F112 HydrophobicContact CG2-CD1 4.35Å; V62-P115 HydrophobicContact CG1-CB 3.86Å; V62-P115 HydrophobicContact CG1-CG 4.03Å; V62-F125 HydrophobicContact CG1-CE1 4.06Å; V62-F125 HydrophobicContact CG1-CE2 4.45Å; V62-F125 HydrophobicContact CG1-CZ 3.65Å
63V94.4Very high87.2Confident0 Ų035.6 Ų35.60%022%0.215CC..Hα-helixtrans-72.1-40.1-178.91740000111.7Y59 N60 F66 I67 R88 F125 L126Y59-V63 HydrophobicContact CD1-CG2 4.46Å; Y59-V63 HydrophobicContact CD2-CG2 4.11Å; Y59-V63 HydrophobicContact CE1-CG2 4.16Å; Y59-V63 HydrophobicContact CE2-CG2 3.76Å; Y59-V63 HydrophobicContact CG-CG2 4.47Å; Y59-V63 WeakPolarHBondContact O-CB 3.47Å; Y59-V63 WeakPolarHBondContact O-CG2 3.36Å; Y59-V63 PolarHBondContact O-N 2.69Å; N60-V63 PolarHBondContact O-N 3.37Å; V63-F66 PolarHBondContact O-N 3.03Å; V63-I67 HydrophobicContact CG1-CD1 3.69Å; V63-I67 HydrophobicContact CG1-CG1 4.28Å; V63-I67 WeakPolarHBondContact O-CB 3.41Å; V63-I67 VanDerWaalsContact O-CG1 3.28Å; V63-I67 WeakPolarHBondContact O-CG1 3.45Å; V63-I67 PolarHBondContact O-N 3.23Å; V63-R88 HydrophobicContact CG1-CG 4.15Å; V63-F125 HydrophobicContact CG2-CE1 4.02Å; V63-L126 HydrophobicContact CG1-CD2 4.37Å; V63-L126 HydrophobicContact CG2-CD2 3.76Å
64D92.8Very high85Confident30 Ų3041.7 Ų41.716%0.1625%0.246CC..Hα-helixtrans-64.3-40.8175.3-68-52.9000111.6N60 S68 R88N60-D64 VanDerWaalsContact C-OD2 3.28Å; N60-D64 WeakPolarHBondContact O-CB 3.39Å; N60-D64 PolarHBondContact O-N 2.69Å; D64-S68 WeakPolarHBondContact O-CB 3.41Å; D64-S68 PolarHBondContact O-N 2.92Å; D64-S68 PolarHBondContact O-OG 2.91Å; D64-R88 VanDerWaalsContact CG-NH2 3.26Å; D64-R88 IonicContact OD1-CZ 2.69Å; D64-R88 VanDerWaalsContact OD1-CZ 3.29Å; D64-R88 IonicContact OD1-NH1 3.6Å; D64-R88 PolarHBondContact OD1-NH1 2.98Å; D64-R88 IonicContact OD1-NH2 2.69Å; D64-R88 PolarHBondContact OD1-NH2 3.07Å; D64-R88 IonicContact OD2-CZ 2.71Å; D64-R88 IonicContact OD2-NH1 2.92Å; D64-R88 IonicContact OD2-NH2 3.37Å; D64-R88 PolarHBondContact OD2-NH2 3.06Å
65S92.4Very high82.9Confident56 Ų5647.6 Ų47.639%0.39227%0.269SS..Hα-helixtrans-60.8-49.3171.3-159.50000111K61 I67 S68 E69K61-S65 VanDerWaalsContact O-CB 3.31Å; K61-S65 WeakPolarHBondContact O-CB 3.49Å; K61-S65 PolarHBondContact O-N 3.35Å; S65-I67 PolarHBondContact O-N 3.25Å; S65-S68 WeakPolarHBondContact O-CB 3.45Å; S65-S68 PolarHBondContact O-N 3.07Å; S65-S68 VanDerWaalsContact O-N 3.15Å; S65-E69 WeakPolarHBondContact CB-OE1 3.46Å; S65-E69 WeakPolarHBondContact O-CB 3.26Å; S65-E69 VanDerWaalsContact O-CG 3.3Å; S65-E69 WeakPolarHBondContact O-CG 3.45Å; S65-E69 PolarHBondContact O-N 3.21Å; S65-E69 PolarHBondContact OG-OE1 2.89Å
66F90.8Very high80.3Confident6 Ų652.3 Ų52.33%0.02630%0.302CS..Hα-helixtrans-63.3-40.6-179.9-150-38.9000112.1V62 V63 S68 G70 P115 T116 Y119 V122 F125V62-F66 WeakPolarHBondContact O-CB 3.48Å; V62-F66 PolarHBondContact O-N 3.38Å; V63-F66 PolarHBondContact O-N 3.03Å; F66-S68 VanDerWaalsContact C-N 3.33Å; F66-S68 PolarHBondContact O-N 3.42Å; F66-G70 WeakPolarHBondContact O-CA 3.43Å; F66-G70 PolarHBondContact O-N 3.07Å; F66-P115 HydrophobicContact CD2-CB 3.91Å; F66-P115 HydrophobicContact CE2-CB 4.05Å; F66-T116 HydrophobicContact CE2-CG2 4.47Å; F66-T116 HydrophobicContact CZ-CG2 4.44Å; F66-Y119 VanDerWaalsContact CZ-O 3.31Å; F66-Y119 WeakPolarHBondContact CZ-O 3.46Å; F66-V122 HydrophobicContact CB-CG2 4.33Å; F66-V122 HydrophobicContact CD1-CB 4.41Å; F66-V122 HydrophobicContact CD1-CG2 3.56Å; F66-V122 HydrophobicContact CE1-CG2 4.17Å; F66-V122 HydrophobicContact CG-CG2 4.13Å; F66-F125 HydrophobicContact CD2-CB 4Å; F66-F125 HydrophobicContact CD2-CD1 4.08Å; F66-F125 HydrophobicContact CD2-CD2 4.05Å; F66-F125 AromaticContact CD2-CG 3.76Å; F66-F125 HydrophobicContact CD2-CG 3.76Å; F66-F125 HydrophobicContact CE2-CB 3.49Å; F66-F125 VanDerWaalsContact CE2-CB 3.49Å; F66-F125 HydrophobicContact CE2-CD1 4.35Å; F66-F125 AromaticContact CE2-CD2 3.7Å; F66-F125 HydrophobicContact CE2-CD2 3.7Å; F66-F125 AromaticContact CE2-CG 3.58Å; F66-F125 HydrophobicContact CE2-CG 3.58Å; F66-F125 HydrophobicContact CZ-CB 4.02Å
67I89.6Confident77.8Confident25 Ų2560.4 Ų60.413%0.12834%0.342CS..Hα-helixtrans-63.7-41.7175.5-68.6167.1000110.4V63 S65 S71 T80 L84 V122 L656V63-I67 HydrophobicContact CG1-CD1 3.69Å; V63-I67 HydrophobicContact CG1-CG1 4.28Å; V63-I67 WeakPolarHBondContact O-CB 3.41Å; V63-I67 VanDerWaalsContact O-CG1 3.28Å; V63-I67 WeakPolarHBondContact O-CG1 3.45Å; V63-I67 PolarHBondContact O-N 3.23Å; S65-I67 PolarHBondContact O-N 3.25Å; I67-S71 PolarHBondContact O-N 2.88Å; I67-T80 HydrophobicContact CG2-CG2 4.3Å; I67-L84 HydrophobicContact CG1-CD2 4.46Å; I67-V122 HydrophobicContact CG1-CG1 3.84Å; I67-V122 HydrophobicContact CG1-CG2 4.04Å; I67-L656 HydrophobicContact CB-CD2 4.5Å; I67-L656 HydrophobicContact CG2-CD2 3.75Å
68S88.1Confident75.6Confident61 Ų6166 Ų6643%0.42737%0.372SS..Hα-helixtrans-64.1-51.1177.4-56.20000111.9D64 S65 F66 S71D64-S68 WeakPolarHBondContact O-CB 3.41Å; D64-S68 PolarHBondContact O-N 2.92Å; D64-S68 PolarHBondContact O-OG 2.91Å; S65-S68 WeakPolarHBondContact O-CB 3.45Å; S65-S68 PolarHBondContact O-N 3.07Å; S65-S68 VanDerWaalsContact O-N 3.15Å; F66-S68 VanDerWaalsContact C-N 3.33Å; F66-S68 PolarHBondContact O-N 3.42Å; S68-S71 WeakPolarHBondContact O-CB 3.29Å; S68-S71 PolarHBondContact O-N 3.21Å; S68-S71 PolarHBondContact O-OG 3.41Å
69E84.3Confident73.7Confident111 Ų11169.2 Ų69.252%0.51940%0.402SS..Hα-helixtrans-63.1-41.7177.3-69.5166.4-113.100112.1S65 S71 G72S65-E69 WeakPolarHBondContact CB-OE1 3.46Å; S65-E69 WeakPolarHBondContact O-CB 3.26Å; S65-E69 VanDerWaalsContact O-CG 3.3Å; S65-E69 WeakPolarHBondContact O-CG 3.45Å; S65-E69 PolarHBondContact O-N 3.21Å; S65-E69 PolarHBondContact OG-OE1 2.89Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 2.91Å; E69-G72 PolarHBondContact O-N 3.02Å
70G67.5Low71.9Confident15 Ų1572.6 Ų72.616%0.15542%0.423CS..Hα-helixtrans-70.7-15.9-177.400000114.4F66 G72 L73F66-G70 WeakPolarHBondContact O-CA 3.43Å; F66-G70 PolarHBondContact O-N 3.07Å; G70-G72 PolarHBondContact O-N 2.86Å; G70-L73 PolarHBondContact O-N 2.9Å; G70-L73 VanDerWaalsContact O-N 3.12Å
71S58.4Low70.5Confident64 Ų6474.4 Ų74.445%0.44844%0.435SS..THydrogen-bonded Turntrans-59.7-27.3175.569.20000113.2I67 S68 E69 L73I67-S71 PolarHBondContact O-N 2.88Å; S68-S71 WeakPolarHBondContact O-CB 3.29Å; S68-S71 PolarHBondContact O-N 3.21Å; S68-S71 PolarHBondContact O-OG 3.41Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 2.91Å; S71-L73 VanDerWaalsContact C-N 3.33Å; S71-L73 PolarHBondContact O-N 3.24Å
72G55.3Low69.4Low67 Ų6775.4 Ų75.469%0.69145%0.45SS*.THydrogen-bonded Turntrans-79.3-5.8177.300000115.5E69 G70E69-G72 PolarHBondContact O-N 3.02Å; G70-G72 PolarHBondContact O-N 2.86Å
73L57.3Low69Low107 Ų10779.2 Ų79.256%0.5647%0.467SS*.SBendtrans-116.990.9-177.5-82.8159.1000110.9G70 S71 Y75G70-L73 PolarHBondContact O-N 2.9Å; G70-L73 VanDerWaalsContact O-N 3.12Å; S71-L73 VanDerWaalsContact C-N 3.33Å; S71-L73 PolarHBondContact O-N 3.24Å; L73-Y75 PolarHBondContact O-N 3.13Å
74D50.8Low68.7Low163 Ų16380.1 Ų80.187%0.87247%0.472SS*.SBendtrans57.61.5167.4-53.5-22.4000117.8
75Y52.8Low68.6Low126 Ų12680.4 Ų80.449%0.49448%0.476SS..  trans-92.91.5170.8-96.4-82.8000114.1L73 M77 P81L73-Y75 PolarHBondContact O-N 3.13Å; Y75-M77 PolarHBondContact O-N 2.88Å; Y75-P81 HydrophobicContact CE1-CG 3.84Å
76S42.3Very low68.7Low100 Ų10082.6 Ų82.670%0.69948%0.48SS*.THydrogen-bonded Turntrans-71.594178.1-173.20000112.2
77M43.9Very low68.8Low180 Ų18082.3 Ų82.389%0.88748%0.479SS*.THydrogen-bonded Turntrans168.7-12.9144.9-90-133.474.500112.8Y75Y75-M77 PolarHBondContact O-N 2.88Å
78L49.6Very low69.1Low156 Ų15681.4 Ų81.482%0.81747%0.474SS*.SBendtrans-119.5142178.9-84.3159.2000110.9
79A56.4Low69.5Low87 Ų8780 Ų8072%0.71946%0.461SS*.  trans-54.5152.5176.900000111.5P81A79-P81 WeakPolarHBondContact O-CD 3.4Å
80T59.1Low70Confident70 Ų7078.9 Ų78.943%0.42945%0.452SS..  trans-43.1115.1178.5-4.30000109.7I67 L84I67-T80 HydrophobicContact CG2-CG2 4.3Å; T80-L84 HydrophobicContact CG2-CD2 3.83Å
81P65.8Low71.4Confident45 Ų4578.2 Ų78.229%0.29244%0.444SS..  trans-55.2137.4-172.4-27.834000110.2Y75 A79 H83 L84Y75-P81 HydrophobicContact CE1-CG 3.84Å; A79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-H83 PolarHBondContact O-N 2.86Å; P81-H83 VanDerWaalsContact O-N 3.11Å; P81-L84 WeakPolarHBondContact O-CA 3.35Å; P81-L84 VanDerWaalsContact O-CB 3.26Å; P81-L84 WeakPolarHBondContact O-CB 3.49Å; P81-L84 PolarHBondContact O-N 3.28Å
82P71Confident73.3Confident105 Ų10575.1 Ų75.168%0.68242%0.423SS*.Hα-helixtrans-57.1-36.4-17318.8-31.4000112.2L84 S85 E86P82-L84 PolarHBondContact O-N 3.36Å; P82-L84 VanDerWaalsContact O-N 3.13Å; P82-S85 PolarHBondContact O-N 3.36Å; P82-S85 VanDerWaalsContact O-N 3.1Å; P82-E86 PolarHBondContact O-N 2.96Å
83H85.7Confident75.2Confident89 Ų8975.1 Ų75.141%0.41241%0.407SS..Hα-helixtrans-51.8-29.5170.1175.6-94.4000114.7P81 L87 R127P81-H83 PolarHBondContact O-N 2.86Å; P81-H83 VanDerWaalsContact O-N 3.11Å; H83-L87 WeakPolarHBondContact O-CB 3.42Å; H83-L87 PolarHBondContact O-N 3.41Å; H83-R127 PolarHBondContact NE2-NH2 2.96Å
84L89.2Confident77.1Confident20 Ų2070.7 Ų70.711%0.10539%0.385CS..Hα-helixtrans-76.9-39.7177-162.277.1000112.2I67 T80 P81 P82 L87 R88 V122 D123 L126I67-L84 HydrophobicContact CG1-CD2 4.46Å; T80-L84 HydrophobicContact CG2-CD2 3.83Å; P81-L84 WeakPolarHBondContact O-CA 3.35Å; P81-L84 VanDerWaalsContact O-CB 3.26Å; P81-L84 WeakPolarHBondContact O-CB 3.49Å; P81-L84 PolarHBondContact O-N 3.28Å; P82-L84 PolarHBondContact O-N 3.36Å; P82-L84 VanDerWaalsContact O-N 3.13Å; L84-L87 PolarHBondContact O-N 3.01Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 PolarHBondContact O-N 3.29Å; L84-V122 HydrophobicContact CD1-CB 4.37Å; L84-V122 HydrophobicContact CD1-CG1 4.19Å; L84-V122 HydrophobicContact CD2-CB 4.37Å; L84-V122 HydrophobicContact CD2-CG1 4.15Å; L84-D123 HydrophobicContact CD1-CB 4.27Å; L84-L126 HydrophobicContact CD1-CD1 4Å; L84-L126 HydrophobicContact CG-CD1 4.38Å
85S91.2Very high79.2Confident36 Ų3663 Ų6325%0.25234%0.344SS..Hα-helixtrans-68.6-43.1173.8-139.80000110.5P82 L87 R88 Q89 E666P82-S85 PolarHBondContact O-N 3.36Å; P82-S85 VanDerWaalsContact O-N 3.1Å; S85-L87 PolarHBondContact O-N 3.47Å; S85-R88 WeakPolarHBondContact O-CB 3.46Å; S85-R88 PolarHBondContact O-N 3.21Å; S85-R88 VanDerWaalsContact O-N 3.11Å; S85-Q89 WeakPolarHBondContact O-CB 3.42Å; S85-Q89 PolarHBondContact O-N 2.68Å; S85-E666 PolarHBondContact OG-OE1 2.86Å
86E92.8Very high81.3Confident101 Ų10159.6 Ų59.647%0.47233%0.331SS..Hα-helixtrans-53.2-41.3169.6-70.3177.8-146.400112.2P82 R90P82-E86 PolarHBondContact O-N 2.96Å; E86-R90 WeakPolarHBondContact O-CB 3.26Å; E86-R90 PolarHBondContact O-N 2.79Å; E86-R90 IonicContact OE2-CZ 3.07Å; E86-R90 IonicContact OE2-NH2 3.9Å; E86-R90 PolarHBondContact OE2-NH2 3.34Å
87L93.9Very high83.9Confident0 Ų062.4 Ų62.40%033%0.327CS..Hα-helixtrans-71.3-40.7179-177.460.7000111.9H83 L84 S85 Q89 R90 V91 L126 R127H83-L87 WeakPolarHBondContact O-CB 3.42Å; H83-L87 PolarHBondContact O-N 3.41Å; L84-L87 PolarHBondContact O-N 3.01Å; S85-L87 PolarHBondContact O-N 3.47Å; L87-Q89 VanDerWaalsContact C-N 3.35Å; L87-Q89 PolarHBondContact O-N 3.37Å; L87-R90 PolarHBondContact O-N 3.34Å; L87-V91 HydrophobicContact CD1-CG2 4.01Å; L87-V91 WeakPolarHBondContact O-CB 3.33Å; L87-V91 VanDerWaalsContact O-CG2 3.32Å; L87-V91 WeakPolarHBondContact O-CG2 3.2Å; L87-V91 PolarHBondContact O-N 2.9Å; L87-L126 HydrophobicContact CB-CD1 4.43Å; L87-L126 HydrophobicContact CD2-CB 3.64Å; L87-L126 HydrophobicContact CD2-CD1 4.16Å; L87-L126 HydrophobicContact CG-CB 3.78Å; L87-L126 HydrophobicContact CG-CD1 4.04Å; L87-R127 HydrophobicContact CD2-CG 4.03Å
88R95.6Very high86.3Confident6 Ų654.5 Ų54.52%0.02329%0.288CS..Hα-helixtrans-55.4-50.9171.9-177-162.4176.2133.315.2110Y59 N60 V63 D64 L84 S85 F92 L126 S657 I659Y59-R88 HydrophobicContact CE1-CG 4.25Å; Y59-R88 WeakPolarHBondContact OH-CA 3.37Å; Y59-R88 PolarHBondContact OH-O 3.05Å; N60-R88 PolarHBondContact OD1-NH2 2.78Å; V63-R88 HydrophobicContact CG1-CG 4.15Å; D64-R88 VanDerWaalsContact CG-NH2 3.26Å; D64-R88 IonicContact OD1-CZ 2.69Å; D64-R88 VanDerWaalsContact OD1-CZ 3.29Å; D64-R88 IonicContact OD1-NH1 3.6Å; D64-R88 PolarHBondContact OD1-NH1 2.98Å; D64-R88 IonicContact OD1-NH2 2.69Å; D64-R88 PolarHBondContact OD1-NH2 3.07Å; D64-R88 IonicContact OD2-CZ 2.71Å; D64-R88 IonicContact OD2-NH1 2.92Å; D64-R88 IonicContact OD2-NH2 3.37Å; D64-R88 PolarHBondContact OD2-NH2 3.06Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 PolarHBondContact O-N 3.29Å; S85-R88 WeakPolarHBondContact O-CB 3.46Å; S85-R88 PolarHBondContact O-N 3.21Å; S85-R88 VanDerWaalsContact O-N 3.11Å; R88-F92 WeakPolarHBondContact O-CB 3.46Å; R88-F92 PolarHBondContact O-N 3.49Å; R88-L126 HydrophobicContact CB-CD1 4.49Å; R88-S657 PolarHBondContact NH1-O 3.04Å; R88-S657 VanDerWaalsContact NH1-O 3.15Å; R88-I659 HydrophobicContact CG-CD1 3.68Å
89Q95.9Very high88.3Confident32 Ų3254.3 Ų54.315%0.1529%0.288CS..Hα-helixtrans-67.4-41.4-179.2-168.762.350.100112.3S85 L87 V91 F92 N93 I659 G664S85-Q89 WeakPolarHBondContact O-CB 3.42Å; S85-Q89 PolarHBondContact O-N 2.68Å; L87-Q89 VanDerWaalsContact C-N 3.35Å; L87-Q89 PolarHBondContact O-N 3.37Å; Q89-V91 PolarHBondContact O-N 2.85Å; Q89-F92 PolarHBondContact O-N 3.18Å; Q89-N93 PolarHBondContact NE2-ND2 3.02Å; Q89-N93 PolarHBondContact NE2-OD1 3.11Å; Q89-N93 VanDerWaalsContact O-CB 3.29Å; Q89-N93 WeakPolarHBondContact O-CB 3.44Å; Q89-N93 VanDerWaalsContact O-CG 3.26Å; Q89-N93 PolarHBondContact O-N 3.15Å; Q89-I659 VanDerWaalsContact OE1-CD1 3.24Å; Q89-G664 PolarHBondContact NE2-O 3.11Å
90R95.7Very high90.1Very high88 Ų8851 Ų5133%0.33226%0.263SS..Hα-helixtrans-63.2-40.9178.6-175.2-175.1-59.6112.90.4112.4E86 L87 T94 E130E86-R90 WeakPolarHBondContact O-CB 3.26Å; E86-R90 PolarHBondContact O-N 2.79Å; E86-R90 IonicContact OE2-CZ 3.07Å; E86-R90 IonicContact OE2-NH2 3.9Å; E86-R90 PolarHBondContact OE2-NH2 3.34Å; L87-R90 PolarHBondContact O-N 3.34Å; R90-T94 WeakPolarHBondContact O-CB 3.23Å; R90-T94 PolarHBondContact O-N 3.35Å; R90-T94 VanDerWaalsContact O-N 3.13Å; R90-T94 PolarHBondContact O-OG1 3.36Å; R90-E130 VanDerWaalsContact CD-OE1 3.26Å; R90-E130 WeakPolarHBondContact CD-OE1 3.49Å
91V96.9Very high91.9Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-72.7-42.2176176.30000110.8Y59 L87 Q89 T94 L95 L129 E130Y59-V91 HydrophobicContact CE2-CB 4.28Å; Y59-V91 HydrophobicContact CE2-CG1 3.62Å; L87-V91 HydrophobicContact CD1-CG2 4.01Å; L87-V91 WeakPolarHBondContact O-CB 3.33Å; L87-V91 VanDerWaalsContact O-CG2 3.32Å; L87-V91 WeakPolarHBondContact O-CG2 3.2Å; L87-V91 PolarHBondContact O-N 2.9Å; Q89-V91 PolarHBondContact O-N 2.85Å; V91-T94 PolarHBondContact O-N 2.94Å; V91-L95 PolarHBondContact O-N 3.47Å; V91-L129 HydrophobicContact CG1-CB 4.36Å; V91-L129 HydrophobicContact CG1-CD2 4.03Å; V91-L129 HydrophobicContact CG1-CG 3.99Å; V91-E130 HydrophobicContact CG2-CB 3.66Å; V91-E130 HydrophobicContact CG2-CG 4Å
92F97.3Very high93.3Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-57.3-52.2174.3-175-96.7000111.9L56 Y59 R88 Q89 T94 L95 K96 I659L56-F92 HydrophobicContact CB-CE2 3.96Å; L56-F92 HydrophobicContact CB-CZ 4.22Å; L56-F92 HydrophobicContact CD2-CD2 4.16Å; L56-F92 HydrophobicContact CD2-CE2 3.61Å; L56-F92 HydrophobicContact CD2-CZ 3.79Å; L56-F92 HydrophobicContact CG-CE2 4.35Å; L56-F92 HydrophobicContact CG-CZ 4.43Å; Y59-F92 HydrophobicContact CD1-CB 4.34Å; Y59-F92 AromaticContact CD1-CD2 3.54Å; Y59-F92 HydrophobicContact CD1-CD2 3.54Å; Y59-F92 HydrophobicContact CD1-CE2 4.38Å; Y59-F92 HydrophobicContact CD1-CG 4.43Å; Y59-F92 HydrophobicContact CE1-CB 3.77Å; Y59-F92 AromaticContact CE1-CD2 3.83Å; Y59-F92 HydrophobicContact CE1-CD2 3.83Å; Y59-F92 HydrophobicContact CE1-CG 4.29Å; Y59-F92 HydrophobicContact CG-CD2 4.37Å; R88-F92 WeakPolarHBondContact O-CB 3.46Å; R88-F92 PolarHBondContact O-N 3.49Å; Q89-F92 PolarHBondContact O-N 3.18Å; F92-T94 PolarHBondContact O-N 3.27Å; F92-L95 PolarHBondContact O-N 3.24Å; F92-L95 VanDerWaalsContact O-N 3.14Å; F92-K96 HydrophobicContact CE1-CB 4.43Å; F92-K96 HydrophobicContact CE1-CD 3.89Å; F92-K96 WeakPolarHBondContact O-CB 3.41Å; F92-K96 PolarHBondContact O-N 3.06Å; F92-I659 HydrophobicContact CB-CD1 3.84Å; F92-I659 HydrophobicContact CD1-CB 4.36Å; F92-I659 HydrophobicContact CD1-CG2 3.44Å; F92-I659 VanDerWaalsContact CD1-CG2 3.44Å; F92-I659 HydrophobicContact CD2-CG2 4.44Å; F92-I659 HydrophobicContact CE1-CG2 3.55Å; F92-I659 HydrophobicContact CG-CB 4.39Å; F92-I659 HydrophobicContact CG-CD1 4.07Å; F92-I659 HydrophobicContact CG-CG2 3.93Å; F92-I659 HydrophobicContact CZ-CG2 4.13Å
93N96.6Very high94.4Very high66 Ų6644 Ų4435%0.35321%0.211SC..Hα-helixtrans-60.5-32.4177.9-74.2-9.7000112.3Q89 R97Q89-N93 PolarHBondContact NE2-ND2 3.02Å; Q89-N93 PolarHBondContact NE2-OD1 3.11Å; Q89-N93 VanDerWaalsContact O-CB 3.29Å; Q89-N93 WeakPolarHBondContact O-CB 3.44Å; Q89-N93 VanDerWaalsContact O-CG 3.26Å; Q89-N93 PolarHBondContact O-N 3.15Å; N93-R97 WeakPolarHBondContact O-CB 3.34Å; N93-R97 PolarHBondContact O-N 2.85Å
94T95.9Very high94.9Very high15 Ų1540.3 Ų40.39%0.09220%0.195CC..Hα-helixtrans-72.4-40.2176.3-61.70000111.9R90 V91 F92 R97 C133R90-T94 WeakPolarHBondContact O-CB 3.23Å; R90-T94 PolarHBondContact O-N 3.35Å; R90-T94 VanDerWaalsContact O-N 3.13Å; R90-T94 PolarHBondContact O-OG1 3.36Å; V91-T94 PolarHBondContact O-N 2.94Å; F92-T94 PolarHBondContact O-N 3.27Å; T94-R97 PolarHBondContact O-N 3.43Å; T94-R97 PolarHBondContact OG1-NH2 3.42Å; T94-C133 HydrophobicContact CG2-CB 3.93Å
95L96.6Very high95.2Very high2 Ų239.4 Ų39.41%0.0119%0.19CC..Hα-helixtrans-66.2-40.7172.3-177.959.9000111.6L56 Y59 V91 F92 R97 L98 I108 F112L56-L95 HydrophobicContact CD2-CB 4.19Å; L56-L95 HydrophobicContact CD2-CD2 4.04Å; L56-L95 HydrophobicContact CD2-CG 3.83Å; Y59-L95 HydrophobicContact CD2-CD2 4.44Å; Y59-L95 HydrophobicContact CG-CD2 4.42Å; V91-L95 PolarHBondContact O-N 3.47Å; F92-L95 PolarHBondContact O-N 3.24Å; F92-L95 VanDerWaalsContact O-N 3.14Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 2.95Å; L95-L98 HydrophobicContact CD1-CD1 4.03Å; L95-L98 PolarHBondContact O-N 2.81Å; L95-I108 HydrophobicContact CD1-CD1 4.49Å; L95-F112 HydrophobicContact CD2-CE2 4.45Å; L95-F112 HydrophobicContact CD2-CZ 4.04Å
96K96.1Very high95.5Very high54 Ų5440.5 Ų40.524%0.23519%0.191CC..Hα-helixtrans-64.8-29.1176.7-171.9174.7179.8177.60112.7K52 L56 F92 L98 E662 T663 G664K52-K96 WeakPolarHBondContact CE-O 3Å; K52-K96 PolarHBondContact NZ-O 3.02Å; L56-K96 HydrophobicContact CD1-CB 4.47Å; L56-K96 HydrophobicContact CD1-CG 4.33Å; L56-K96 HydrophobicContact CD2-CB 3.95Å; F92-K96 HydrophobicContact CE1-CB 4.43Å; F92-K96 HydrophobicContact CE1-CD 3.89Å; F92-K96 WeakPolarHBondContact O-CB 3.41Å; F92-K96 PolarHBondContact O-N 3.06Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.22Å; K96-E662 PolarHBondContact NZ-O 3.33Å; K96-T663 PolarHBondContact NZ-O 2.88Å; K96-G664 VanDerWaalsContact NZ-N 3.19Å
97R95.6Very high95.7Very high159 Ų15938 Ų3860%0.618%0.177SC*.THydrogen-bonded Turntrans-79-3.6176.8-169.5171.559.7-119.3-11.6114.4N93 T94 L95 D99N93-R97 WeakPolarHBondContact O-CB 3.34Å; N93-R97 PolarHBondContact O-N 2.85Å; T94-R97 PolarHBondContact O-N 3.43Å; T94-R97 PolarHBondContact OG1-NH2 3.42Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 2.95Å; R97-D99 PolarHBondContact O-N 3.38Å
98L95Very high95.8Very high14 Ų1438 Ų387%0.07318%0.177CC..  trans-73.7115.5177.9-61.3-175.3000111.5W48 K52 L95 K96 P102W48-L98 HydrophobicContact CZ2-CB 4.01Å; W48-L98 HydrophobicContact CZ2-CD1 4.42Å; W48-L98 PolarHBondContact NE1-O 3.38Å; K52-L98 WeakPolarHBondContact CE-O 3.42Å; K52-L98 PolarHBondContact NZ-O 2.89Å; L95-L98 HydrophobicContact CD1-CD1 4.03Å; L95-L98 PolarHBondContact O-N 2.81Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.22Å; L98-P102 HydrophobicContact CD1-CB 4.15Å; L98-P102 HydrophobicContact CD1-CG 3.82Å
99D92.5Very high95.9Very high151 Ų15137.7 Ų37.781%0.80718%0.176SC*.  trans-82.2-23.8-176.9-59.8-48000113.9R97R97-D99 PolarHBondContact O-N 3.38Å
100G94.1Very high96Very high19 Ų1937.8 Ų37.820%0.19618%0.177CC..SBendtrans-136175.5176.600000112.1W48 P102W48-G100 VanDerWaalsContact CD1-C 3.43Å; W48-G100 VanDerWaalsContact CD1-CA 3.42Å; W48-G100 PolarHBondContact NE1-O 3.42Å; G100-P102 WeakPolarHBondContact O-CD 3.35Å
101I95.6Very high96Very high7 Ų733.6 Ų33.64%0.03616%0.161CC..  trans-63.1119.3175.9-46.8173.2000107.7T44 W48 I105 T138 V139 P141T44-I101 HydrophobicContact CG2-CD1 4.11Å; T44-I101 HydrophobicContact CG2-CG2 3.97Å; T44-I101 VanDerWaalsContact OG1-CD1 3.32Å; T44-I101 WeakPolarHBondContact OG1-CD1 3.42Å; W48-I101 HydrophobicContact CB-CG1 3.74Å; W48-I101 HydrophobicContact CD2-CG1 4.24Å; W48-I101 HydrophobicContact CE3-CB 4.31Å; W48-I101 HydrophobicContact CE3-CG1 3.96Å; W48-I101 HydrophobicContact CE3-CG2 4.43Å; W48-I101 HydrophobicContact CG-CG1 4.19Å; I101-I105 HydrophobicContact CG2-CB 3.8Å; I101-I105 HydrophobicContact CG2-CD1 4.46Å; I101-I105 HydrophobicContact CG2-CG1 3.87Å; I101-I105 HydrophobicContact CG2-CG2 3.81Å; I101-T138 CarbonylContact O-C 3.52Å; I101-T138 WeakPolarHBondContact O-CA 3.4Å; I101-T138 WeakPolarHBondContact O-CB 3.4Å; I101-V139 HydrophobicContact CB-CG2 4.02Å; I101-V139 HydrophobicContact CG2-CG2 3.79Å; I101-V139 PolarHBondContact O-N 3.04Å; I101-P141 HydrophobicContact CD1-CB 4.19Å; I101-P141 HydrophobicContact CD1-CG 3.96Å
102P95.2Very high96Very high2 Ų233.7 Ų33.71%0.01316%0.161CC..BIsolated β-bridgetrans-71.8146.3177.630.8-35.7000110.2L98 G100 T104 I105 I108L98-P102 HydrophobicContact CD1-CB 4.15Å; L98-P102 HydrophobicContact CD1-CG 3.82Å; G100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-T104 PolarHBondContact O-N 3.02Å; P102-T104 VanDerWaalsContact O-N 3.1Å; P102-I105 HydrophobicContact CG-CB 4.17Å; P102-I105 HydrophobicContact CG-CD1 4.46Å; P102-I105 WeakPolarHBondContact O-CB 3.38Å; P102-I105 VanDerWaalsContact O-CG2 3.3Å; P102-I105 WeakPolarHBondContact O-CG2 3.03Å; P102-I105 PolarHBondContact O-N 2.98Å; P102-I108 HydrophobicContact CG-CD1 3.69Å
103F94.3Very high95.9Very high64 Ų6436 Ų3628%0.28117%0.174SC..THydrogen-bonded Turntrans-53-30.3169.4149.1-107.7000112.3I105 V135 S137 V139 L438F103-I105 PolarHBondContact O-N 3.24Å; F103-V135 HydrophobicContact CD1-CG1 3.89Å; F103-V135 HydrophobicContact CE1-CG1 4.37Å; F103-S137 VanDerWaalsContact CB-O 3.29Å; F103-S137 WeakPolarHBondContact CB-O 3.44Å; F103-S137 WeakPolarHBondContact CB-OG 3.48Å; F103-S137 PolarHBondContact N-O 3.09Å; F103-V139 HydrophobicContact CB-CG1 3.99Å; F103-L438 HydrophobicContact CE1-CD1 4.05Å; F103-L438 HydrophobicContact CZ-CD1 4.11Å
104T96.3Very high95.7Very high10 Ų1035.1 Ų35.16%0.06117%0.173CC..THydrogen-bonded Turntrans-79.17176.249.10000114.8P102 Q106 R107 I108 V132 V135P102-T104 PolarHBondContact O-N 3.02Å; P102-T104 VanDerWaalsContact O-N 3.1Å; T104-Q106 VanDerWaalsContact C-N 3.27Å; T104-Q106 PolarHBondContact O-N 2.89Å; T104-Q106 VanDerWaalsContact O-N 3.15Å; T104-R107 WeakPolarHBondContact O-CA 3.19Å; T104-R107 WeakPolarHBondContact O-CB 3.29Å; T104-R107 PolarHBondContact O-N 3.37Å; T104-I108 PolarHBondContact O-N 3.33Å; T104-V132 WeakPolarHBondContact CB-O 3.33Å; T104-V132 HydrophobicContact CG2-CG1 4.23Å; T104-V132 PolarHBondContact OG1-O 3.15Å; T104-V135 HydrophobicContact CG2-CB 3.66Å; T104-V135 HydrophobicContact CG2-CG1 3.98Å; T104-V135 HydrophobicContact CG2-CG2 3.87Å
105I96.7Very high95.6Very high2 Ų235.6 Ų35.61%0.0118%0.176CC..Hα-helixtrans-52.2-39.8-175.7-172.861.1000113.8I38 G42 T44 W48 L55 I101 P102 F103 R107 I108 C109I38-I105 HydrophobicContact CG2-CG1 3.81Å; G42-I105 WeakPolarHBondContact O-CG2 3.35Å; T44-I105 HydrophobicContact CG2-CG1 4.09Å; W48-I105 HydrophobicContact CH2-CD1 4.24Å; W48-I105 HydrophobicContact CZ3-CD1 3.79Å; L55-I105 HydrophobicContact CD1-CD1 3.65Å; I101-I105 HydrophobicContact CG2-CB 3.8Å; I101-I105 HydrophobicContact CG2-CD1 4.46Å; I101-I105 HydrophobicContact CG2-CG1 3.87Å; I101-I105 HydrophobicContact CG2-CG2 3.81Å; P102-I105 HydrophobicContact CG-CB 4.17Å; P102-I105 HydrophobicContact CG-CD1 4.46Å; P102-I105 WeakPolarHBondContact O-CB 3.38Å; P102-I105 VanDerWaalsContact O-CG2 3.3Å; P102-I105 WeakPolarHBondContact O-CG2 3.03Å; P102-I105 PolarHBondContact O-N 2.98Å; F103-I105 PolarHBondContact O-N 3.24Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 2.75Å; I105-I108 PolarHBondContact O-N 3.03Å; I105-C109 PolarHBondContact O-N 2.85Å; I105-C109 PolarHBondContact O-SG 3.13Å
106Q96.5Very high95.3Very high59 Ų5939.2 Ų39.228%0.27620%0.199SC..Hα-helixtrans-56.3-49174-168.5-174.3-54.500110.7S39 T104 I108 C109 E110S39-Q106 VanDerWaalsContact O-CG 3.27Å; S39-Q106 WeakPolarHBondContact O-CG 3.36Å; T104-Q106 VanDerWaalsContact C-N 3.27Å; T104-Q106 PolarHBondContact O-N 2.89Å; T104-Q106 VanDerWaalsContact O-N 3.15Å; Q106-I108 PolarHBondContact O-N 3.43Å; Q106-C109 PolarHBondContact O-N 3.29Å; Q106-E110 PolarHBondContact NE2-OE1 3.36Å; Q106-E110 WeakPolarHBondContact O-CG 3.32Å; Q106-E110 PolarHBondContact O-N 3.07Å
107R96.5Very high95.1Very high47 Ų4744.3 Ų44.318%0.17722%0.216CC..Hα-helixtrans-70.2-30.9-176.3-173.655.4177.9162.61112.7T104 I105 E110 L111 H118 V132T104-R107 WeakPolarHBondContact O-CA 3.19Å; T104-R107 WeakPolarHBondContact O-CB 3.29Å; T104-R107 PolarHBondContact O-N 3.37Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 2.75Å; R107-E110 WeakPolarHBondContact CD-OE2 3.19Å; R107-E110 IonicContact CZ-OE2 2.67Å; R107-E110 IonicContact NE-OE2 3.62Å; R107-E110 IonicContact NH1-OE2 2.68Å; R107-E110 PolarHBondContact NH1-OE2 3.13Å; R107-L111 VanDerWaalsContact O-CG 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.43Å; R107-L111 PolarHBondContact O-N 2.73Å; R107-H118 PolarHBondContact NH1-CE1 2.75Å; R107-V132 HydrophobicContact CB-CG1 3.94Å; R107-V132 HydrophobicContact CG-CG1 3.85Å; R107-V132 HydrophobicContact CG-CG2 3.86Å
108I97.3Very high94.8Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-63.4-50170.4-62.7175.3000109.4L95 P102 T104 I105 Q106 E110 L111 F112 L129 V132L95-I108 HydrophobicContact CD1-CD1 4.49Å; P102-I108 HydrophobicContact CG-CD1 3.69Å; T104-I108 PolarHBondContact O-N 3.33Å; I105-I108 PolarHBondContact O-N 3.03Å; Q106-I108 PolarHBondContact O-N 3.43Å; I108-E110 PolarHBondContact O-N 3.28Å; I108-L111 PolarHBondContact O-N 3.38Å; I108-L111 VanDerWaalsContact O-N 3.16Å; I108-F112 HydrophobicContact CG2-CD2 4.06Å; I108-F112 HydrophobicContact CG2-CE2 3.59Å; I108-F112 HydrophobicContact CG2-CZ 3.97Å; I108-F112 PolarHBondContact O-N 3.38Å; I108-F112 VanDerWaalsContact O-N 3.15Å; I108-L129 HydrophobicContact CG1-CD1 4.48Å; I108-L129 HydrophobicContact CG2-CD1 4.35Å; I108-V132 HydrophobicContact CG1-CG1 3.59Å
109C97.6Very high94.6Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-66.7-35.4179.6-67.20000113.1I35 I38 I105 Q106 L111 F112 D113I35-C109 HydrophobicContact CG2-CB 4.09Å; I38-C109 HydrophobicContact CB-CB 4.12Å; I38-C109 HydrophobicContact CG2-CB 3.96Å; I38-C109 WeakPolarHBondContact CG2-SG 3.38Å; I105-C109 PolarHBondContact O-N 2.85Å; I105-C109 PolarHBondContact O-SG 3.13Å; Q106-C109 PolarHBondContact O-N 3.29Å; C109-L111 VanDerWaalsContact C-N 3.29Å; C109-L111 PolarHBondContact O-N 3.07Å; C109-F112 PolarHBondContact O-N 3.01Å; C109-F112 VanDerWaalsContact O-N 3.15Å; C109-D113 VanDerWaalsContact O-CB 3.23Å; C109-D113 WeakPolarHBondContact O-CB 3.32Å; C109-D113 PolarHBondContact O-N 3.36Å
110E97.2Very high94.5Very high34 Ų3441.9 Ų41.916%0.15921%0.205CC..Hα-helixtrans-57.6-39.4170.6-75171.6-162.700112.6S39 Q106 R107 I108 F112 S114S39-E110 WeakPolarHBondContact O-CG 3.32Å; Q106-E110 PolarHBondContact NE2-OE1 3.36Å; Q106-E110 WeakPolarHBondContact O-CG 3.32Å; Q106-E110 PolarHBondContact O-N 3.07Å; R107-E110 WeakPolarHBondContact CD-OE2 3.19Å; R107-E110 IonicContact CZ-OE2 2.67Å; R107-E110 IonicContact NE-OE2 3.62Å; R107-E110 IonicContact NH1-OE2 2.68Å; R107-E110 PolarHBondContact NH1-OE2 3.13Å; I108-E110 PolarHBondContact O-N 3.28Å; E110-F112 VanDerWaalsContact C-N 3.33Å; E110-S114 PolarHBondContact O-N 3.2Å; E110-S114 VanDerWaalsContact O-N 3.1Å
111L96.7Very high94.3Very high0 Ų046.3 Ų46.30%022%0.215CC..Hα-helixtrans-73.4-24.9177.8-68.5173.1000112.3R107 I108 C109 P115 Y119 F125 L129 V132R107-L111 VanDerWaalsContact O-CG 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.43Å; R107-L111 PolarHBondContact O-N 2.73Å; I108-L111 PolarHBondContact O-N 3.38Å; I108-L111 VanDerWaalsContact O-N 3.16Å; C109-L111 VanDerWaalsContact C-N 3.29Å; C109-L111 PolarHBondContact O-N 3.07Å; L111-P115 WeakPolarHBondContact O-CA 3.37Å; L111-P115 WeakPolarHBondContact O-CB 3.33Å; L111-Y119 HydrophobicContact CD2-CD2 4.18Å; L111-Y119 HydrophobicContact CD2-CE2 3.73Å; L111-F125 HydrophobicContact CB-CE2 4.04Å; L111-F125 HydrophobicContact CD2-CE2 4.48Å; L111-F125 WeakPolarHBondContact O-CE2 3.24Å; L111-L129 HydrophobicContact CD1-CB 4.33Å; L111-L129 HydrophobicContact CD1-CD1 3.93Å; L111-V132 HydrophobicContact CD1-CG2 4.27Å
112F96.8Very high94.1Very high2 Ų246.7 Ų46.71%0.00922%0.218CC..Hα-helixtrans-88.6-26.4175.3-67.3-17.8000114.4I35 L55 K58 Y59 V62 L95 I108 C109 E110 L129I35-F112 HydrophobicContact CG2-CB 4.39Å; L55-F112 HydrophobicContact CB-CE2 4.26Å; L55-F112 HydrophobicContact CD2-CD2 3.83Å; L55-F112 HydrophobicContact CD2-CE2 4Å; K58-F112 HydrophobicContact CB-CD2 4.31Å; K58-F112 HydrophobicContact CD-CB 4.44Å; K58-F112 WeakPolarHBondContact CE-O 3.46Å; K58-F112 HydrophobicContact CG-CB 3.76Å; K58-F112 HydrophobicContact CG-CD2 3.77Å; K58-F112 HydrophobicContact CG-CG 3.85Å; K58-F112 PolarHBondContact NZ-O 3.41Å; Y59-F112 HydrophobicContact CD2-CE1 4.04Å; Y59-F112 HydrophobicContact CD2-CZ 4.09Å; Y59-F112 HydrophobicContact CG-CZ 4.47Å; V62-F112 HydrophobicContact CB-CD1 4.46Å; V62-F112 HydrophobicContact CG1-CD1 4.36Å; V62-F112 HydrophobicContact CG2-CB 4.36Å; V62-F112 HydrophobicContact CG2-CD1 4.35Å; L95-F112 HydrophobicContact CD2-CE2 4.45Å; L95-F112 HydrophobicContact CD2-CZ 4.04Å; I108-F112 HydrophobicContact CG2-CD2 4.06Å; I108-F112 HydrophobicContact CG2-CE2 3.59Å; I108-F112 HydrophobicContact CG2-CZ 3.97Å; I108-F112 PolarHBondContact O-N 3.38Å; I108-F112 VanDerWaalsContact O-N 3.15Å; C109-F112 PolarHBondContact O-N 3.01Å; C109-F112 VanDerWaalsContact O-N 3.15Å; E110-F112 VanDerWaalsContact C-N 3.33Å; F112-L129 HydrophobicContact CE1-CD1 4.43Å; F112-L129 HydrophobicContact CE1-CD2 3.64Å; F112-L129 HydrophobicContact CZ-CD2 4.15Å
113D94.8Very high94Very high50 Ų5047.9 Ų47.927%0.26722%0.224SC..Hα-helixtrans-81.8-27.4176.1-177.235.6000111.6K36 S39 C109K36-D113 WeakPolarHBondContact CG-OD1 3.48Å; S39-D113 PolarHBondContact OG-OD2 2.82Å; C109-D113 VanDerWaalsContact O-CB 3.23Å; C109-D113 WeakPolarHBondContact O-CB 3.32Å; C109-D113 PolarHBondContact O-N 3.36Å
114S93.4Very high93.9Very high46 Ų4649.5 Ų49.532%0.32223%0.232SC..  trans-151.870.8178.1-65.10000112.8E110 T116 R117E110-S114 PolarHBondContact O-N 3.2Å; E110-S114 VanDerWaalsContact O-N 3.1Å; S114-T116 PolarHBondContact O-N 3Å; S114-R117 VanDerWaalsContact O-CB 3.31Å; S114-R117 WeakPolarHBondContact O-CB 3.4Å; S114-R117 PolarHBondContact O-N 3.2Å
115P92.6Very high93.8Very high25 Ų2549 Ų4916%0.16223%0.229CC..G310 helixtrans-60.7-41.9-173.623.5-34.7000113.6V62 F66 L111 R117 F125V62-P115 HydrophobicContact CG1-CB 3.86Å; V62-P115 HydrophobicContact CG1-CG 4.03Å; F66-P115 HydrophobicContact CD2-CB 3.91Å; F66-P115 HydrophobicContact CE2-CB 4.05Å; L111-P115 WeakPolarHBondContact O-CA 3.37Å; L111-P115 WeakPolarHBondContact O-CB 3.33Å; P115-R117 VanDerWaalsContact C-N 3.28Å; P115-R117 PolarHBondContact O-N 3.23Å; P115-F125 HydrophobicContact CB-CD2 3.96Å; P115-F125 HydrophobicContact CB-CE2 3.5Å; P115-F125 HydrophobicContact CB-CZ 4.08Å
116T91.2Very high93.8Very high79 Ų7949 Ų4949%0.48523%0.228SC..G310 helixtrans-75.2-10.5-177.4500000114.1F66 S114 H118 Y119F66-T116 HydrophobicContact CE2-CG2 4.47Å; F66-T116 HydrophobicContact CZ-CG2 4.44Å; S114-T116 PolarHBondContact O-N 3Å; T116-H118 VanDerWaalsContact C-N 3.26Å; T116-H118 PolarHBondContact O-N 3.13Å; T116-Y119 CarbonylContact C-O 3.5Å; T116-Y119 WeakPolarHBondContact CA-O 3.3Å
117R91Very high93.7Very high161 Ų16150.6 Ų50.661%0.60823%0.232SC*.G310 helixtrans-63.9-26.1-175.1-174.1179.5-168.5-76.1-1.8114.4S114 P115S114-R117 VanDerWaalsContact O-CB 3.31Å; S114-R117 WeakPolarHBondContact O-CB 3.4Å; S114-R117 PolarHBondContact O-N 3.2Å; P115-R117 VanDerWaalsContact C-N 3.28Å; P115-R117 PolarHBondContact O-N 3.23Å
118H89.6Confident93.6Very high68 Ų6848.6 Ų48.632%0.31523%0.226SC..THydrogen-bonded Turntrans-128.5-16-175.5-50.9100.4000113.5R107 T116 L432R107-H118 PolarHBondContact NH1-CE1 2.75Å; T116-H118 VanDerWaalsContact C-N 3.26Å; T116-H118 PolarHBondContact O-N 3.13Å; H118-L432 WeakPolarHBondContact NE2-CD1 3.46Å
119Y92Very high93.6Very high41 Ų4148.6 Ų48.616%0.16123%0.226CC..  trans-135129.5-175.5-57.6-63.8000108.1F66 L111 T116 K124 F125 G128F66-Y119 VanDerWaalsContact CZ-O 3.31Å; F66-Y119 WeakPolarHBondContact CZ-O 3.46Å; L111-Y119 HydrophobicContact CD2-CD2 4.18Å; L111-Y119 HydrophobicContact CD2-CE2 3.73Å; T116-Y119 CarbonylContact C-O 3.5Å; T116-Y119 WeakPolarHBondContact CA-O 3.3Å; Y119-K124 HydrophobicContact CD1-CB 3.78Å; Y119-K124 HydrophobicContact CE1-CB 4.45Å; Y119-K124 HydrophobicContact CG-CB 4.42Å; Y119-F125 HydrophobicContact CD2-CB 4.24Å; Y119-F125 HydrophobicContact CD2-CD2 4.02Å; Y119-F125 HydrophobicContact CG-CB 4.34Å; Y119-G128 WeakPolarHBondContact OH-CA 3.28Å
120Q89.4Confident93.5Very high163 Ų16349.8 Ų49.876%0.76223%0.231SC*.SBendtrans-98.3-7.3175.5-68.4171.1-19.200112.5
121R89.5Confident93.4Very high112 Ų11254.2 Ų54.242%0.42325%0.25SC..SBendtrans-131.1139.6-176.2-59.8-164.6-73.7118.8-21111.5D123 K124 F125R121-D123 VanDerWaalsContact C-N 3.32Å; R121-D123 WeakPolarHBondContact CB-OD1 3.44Å; R121-D123 IonicContact CZ-OD1 3.98Å; R121-D123 IonicContact CZ-OD2 3.57Å; R121-D123 IonicContact NH1-OD1 2.85Å; R121-D123 PolarHBondContact NH1-OD1 3.15Å; R121-D123 IonicContact NH1-OD2 3.58Å; R121-D123 PolarHBondContact NH1-OD2 2.78Å; R121-D123 PolarHBondContact O-N 3.11Å; R121-K124 PolarHBondContact O-N 3.04Å; R121-K124 VanDerWaalsContact O-N 3.1Å; R121-F125 PolarHBondContact O-N 3.1Å
122V92.5Very high93.3Very high15 Ų1555.2 Ų55.29%0.09126%0.256CS..Hα-helixtrans-58.1-40.9-176.1-1700000111.9F66 I67 L84 K124 F125 L126F66-V122 HydrophobicContact CB-CG2 4.33Å; F66-V122 HydrophobicContact CD1-CB 4.41Å; F66-V122 HydrophobicContact CD1-CG2 3.56Å; F66-V122 HydrophobicContact CE1-CG2 4.17Å; F66-V122 HydrophobicContact CG-CG2 4.13Å; I67-V122 HydrophobicContact CG1-CG1 3.84Å; I67-V122 HydrophobicContact CG1-CG2 4.04Å; L84-V122 HydrophobicContact CD1-CB 4.37Å; L84-V122 HydrophobicContact CD1-CG1 4.19Å; L84-V122 HydrophobicContact CD2-CB 4.37Å; L84-V122 HydrophobicContact CD2-CG1 4.15Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 3.1Å; V122-F125 PolarHBondContact O-N 2.94Å; V122-L126 HydrophobicContact CG1-CD1 3.9Å; V122-L126 HydrophobicContact CG1-CG 4.13Å; V122-L126 WeakPolarHBondContact O-CB 3.19Å; V122-L126 WeakPolarHBondContact O-CG 3.18Å; V122-L126 PolarHBondContact O-N 3.42Å
123D91.6Very high93.3Very high27 Ų2755.2 Ų55.214%0.14426%0.256CS..Hα-helixtrans-59-42177.873-52.1000111.8L84 R121 R127L84-D123 HydrophobicContact CD1-CB 4.27Å; R121-D123 VanDerWaalsContact C-N 3.32Å; R121-D123 WeakPolarHBondContact CB-OD1 3.44Å; R121-D123 IonicContact CZ-OD1 3.98Å; R121-D123 IonicContact CZ-OD2 3.57Å; R121-D123 IonicContact NH1-OD1 2.85Å; R121-D123 PolarHBondContact NH1-OD1 3.15Å; R121-D123 IonicContact NH1-OD2 3.58Å; R121-D123 PolarHBondContact NH1-OD2 2.78Å; R121-D123 PolarHBondContact O-N 3.11Å; D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.24Å; D123-R127 WeakPolarHBondContact O-CG 3.35Å; D123-R127 PolarHBondContact O-N 2.69Å
124K92.5Very high93.2Very high99 Ų9958.7 Ų58.743%0.4327%0.273SS..Hα-helixtrans-74.2-37179.4-59.7-50.6-177.6-133.60111.7Y119 R121 V122 G128Y119-K124 HydrophobicContact CD1-CB 3.78Å; Y119-K124 HydrophobicContact CE1-CB 4.45Å; Y119-K124 HydrophobicContact CG-CB 4.42Å; R121-K124 PolarHBondContact O-N 3.04Å; R121-K124 VanDerWaalsContact O-N 3.1Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 3.1Å; K124-G128 PolarHBondContact O-N 3.11Å
125F95.4Very high92.9Very high0 Ų058.4 Ų58.40%027%0.269CS..Hα-helixtrans-59.3-54.1171.9176.1-97.4000111.4V62 V63 F66 L111 P115 Y119 R121 V122 G128 L129V62-F125 HydrophobicContact CG1-CE1 4.06Å; V62-F125 HydrophobicContact CG1-CE2 4.45Å; V62-F125 HydrophobicContact CG1-CZ 3.65Å; V63-F125 HydrophobicContact CG2-CE1 4.02Å; F66-F125 HydrophobicContact CD2-CB 4Å; F66-F125 HydrophobicContact CD2-CD1 4.08Å; F66-F125 HydrophobicContact CD2-CD2 4.05Å; F66-F125 AromaticContact CD2-CG 3.76Å; F66-F125 HydrophobicContact CD2-CG 3.76Å; F66-F125 HydrophobicContact CE2-CB 3.49Å; F66-F125 VanDerWaalsContact CE2-CB 3.49Å; F66-F125 HydrophobicContact CE2-CD1 4.35Å; F66-F125 AromaticContact CE2-CD2 3.7Å; F66-F125 HydrophobicContact CE2-CD2 3.7Å; F66-F125 AromaticContact CE2-CG 3.58Å; F66-F125 HydrophobicContact CE2-CG 3.58Å; F66-F125 HydrophobicContact CZ-CB 4.02Å; L111-F125 HydrophobicContact CB-CE2 4.04Å; L111-F125 HydrophobicContact CD2-CE2 4.48Å; L111-F125 WeakPolarHBondContact O-CE2 3.24Å; P115-F125 HydrophobicContact CB-CD2 3.96Å; P115-F125 HydrophobicContact CB-CE2 3.5Å; P115-F125 HydrophobicContact CB-CZ 4.08Å; Y119-F125 HydrophobicContact CD2-CB 4.24Å; Y119-F125 HydrophobicContact CD2-CD2 4.02Å; Y119-F125 HydrophobicContact CG-CB 4.34Å; R121-F125 PolarHBondContact O-N 3.1Å; V122-F125 PolarHBondContact O-N 2.94Å; F125-G128 WeakPolarHBondContact O-CA 3.35Å; F125-G128 PolarHBondContact O-N 2.8Å; F125-G128 VanDerWaalsContact O-N 3.13Å; F125-L129 HydrophobicContact CE1-CD2 4.21Å; F125-L129 HydrophobicContact CZ-CD2 4.31Å; F125-L129 PolarHBondContact O-N 2.97Å
126L96Very high92.1Very high0 Ų062.7 Ų62.70%029%0.294CS..Hα-helixtrans-62.9-45.2-179.9-69.9176.7000112.1Y59 V63 L84 L87 R88 V122 G128 L129 E130Y59-L126 HydrophobicContact CE2-CD2 4.07Å; Y59-L126 WeakPolarHBondContact OH-CD2 3.36Å; V63-L126 HydrophobicContact CG1-CD2 4.37Å; V63-L126 HydrophobicContact CG2-CD2 3.76Å; L84-L126 HydrophobicContact CD1-CD1 4Å; L84-L126 HydrophobicContact CG-CD1 4.38Å; L87-L126 HydrophobicContact CB-CD1 4.43Å; L87-L126 HydrophobicContact CD2-CB 3.64Å; L87-L126 HydrophobicContact CD2-CD1 4.16Å; L87-L126 HydrophobicContact CG-CB 3.78Å; L87-L126 HydrophobicContact CG-CD1 4.04Å; R88-L126 HydrophobicContact CB-CD1 4.49Å; V122-L126 HydrophobicContact CG1-CD1 3.9Å; V122-L126 HydrophobicContact CG1-CG 4.13Å; V122-L126 WeakPolarHBondContact O-CB 3.19Å; V122-L126 WeakPolarHBondContact O-CG 3.18Å; V122-L126 PolarHBondContact O-N 3.42Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.4Å; L126-L129 PolarHBondContact O-N 2.87Å; L126-E130 VanDerWaalsContact O-CB 3.32Å; L126-E130 WeakPolarHBondContact O-CB 3.48Å; L126-E130 PolarHBondContact O-N 3.33Å
127R94.4Very high92Very high94 Ų9461.7 Ų61.736%0.35529%0.29SS..Hα-helixtrans-63.1-31.1173.9-71.3-57.4-169.4-174.12.9113.1H83 L87 D123 E130H83-R127 PolarHBondContact NE2-NH2 2.96Å; L87-R127 HydrophobicContact CD2-CG 4.03Å; D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.24Å; D123-R127 WeakPolarHBondContact O-CG 3.35Å; D123-R127 PolarHBondContact O-N 2.69Å; R127-E130 WeakPolarHBondContact CD-OE2 3.35Å; R127-E130 IonicContact CZ-OE2 3.77Å; R127-E130 IonicContact NE-OE2 2.78Å; R127-E130 VanDerWaalsContact NH1-CD 3.34Å; R127-E130 IonicContact NH1-OE1 3.76Å; R127-E130 PolarHBondContact NH1-OE1 3.5Å; R127-E130 VanDerWaalsContact NH1-OE1 3.13Å; R127-E130 IonicContact NH1-OE2 3.29Å; R127-E130 PolarHBondContact NH1-OE2 2.84Å
128G94.8Very high92.2Very high5 Ų556.1 Ų56.15%0.05227%0.274CS..Hα-helixtrans-67-47.3173.300000111.8Y119 K124 F125 L126 V132Y119-G128 WeakPolarHBondContact OH-CA 3.28Å; K124-G128 PolarHBondContact O-N 3.11Å; F125-G128 WeakPolarHBondContact O-CA 3.35Å; F125-G128 PolarHBondContact O-N 2.8Å; F125-G128 VanDerWaalsContact O-N 3.13Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.4Å; G128-V132 WeakPolarHBondContact O-CG2 3.08Å; G128-V132 PolarHBondContact O-N 2.84Å
129L96.4Very high92.4Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-69.9-38.3179.7-174.859.2000112.5Y59 V91 I108 L111 F112 F125 L126 K131 V132 C133Y59-L129 HydrophobicContact CD2-CD2 3.7Å; Y59-L129 HydrophobicContact CE2-CD2 3.72Å; V91-L129 HydrophobicContact CG1-CB 4.36Å; V91-L129 HydrophobicContact CG1-CD2 4.03Å; V91-L129 HydrophobicContact CG1-CG 3.99Å; I108-L129 HydrophobicContact CG1-CD1 4.48Å; I108-L129 HydrophobicContact CG2-CD1 4.35Å; L111-L129 HydrophobicContact CD1-CB 4.33Å; L111-L129 HydrophobicContact CD1-CD1 3.93Å; F112-L129 HydrophobicContact CE1-CD1 4.43Å; F112-L129 HydrophobicContact CE1-CD2 3.64Å; F112-L129 HydrophobicContact CZ-CD2 4.15Å; F125-L129 HydrophobicContact CE1-CD2 4.21Å; F125-L129 HydrophobicContact CZ-CD2 4.31Å; F125-L129 PolarHBondContact O-N 2.97Å; L126-L129 PolarHBondContact O-N 2.87Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 2.83Å; L129-V132 PolarHBondContact O-N 2.97Å; L129-C133 PolarHBondContact O-N 3.01Å; L129-C133 PolarHBondContact O-SG 2.84Å
130E95.8Very high92.5Very high25 Ų2553.1 Ų53.112%0.11726%0.264CS..Hα-helixtrans-48.2-54172.5-168.4174.3-142.300110.9R90 V91 L126 R127 V132 C133 M134R90-E130 VanDerWaalsContact CD-OE1 3.26Å; R90-E130 WeakPolarHBondContact CD-OE1 3.49Å; V91-E130 HydrophobicContact CG2-CB 3.66Å; V91-E130 HydrophobicContact CG2-CG 4Å; L126-E130 VanDerWaalsContact O-CB 3.32Å; L126-E130 WeakPolarHBondContact O-CB 3.48Å; L126-E130 PolarHBondContact O-N 3.33Å; R127-E130 WeakPolarHBondContact CD-OE2 3.35Å; R127-E130 IonicContact CZ-OE2 3.77Å; R127-E130 IonicContact NE-OE2 2.78Å; R127-E130 VanDerWaalsContact NH1-CD 3.34Å; R127-E130 IonicContact NH1-OE1 3.76Å; R127-E130 PolarHBondContact NH1-OE1 3.5Å; R127-E130 VanDerWaalsContact NH1-OE1 3.13Å; R127-E130 IonicContact NH1-OE2 3.29Å; R127-E130 PolarHBondContact NH1-OE2 2.84Å; E130-V132 VanDerWaalsContact C-N 3.33Å; E130-V132 PolarHBondContact O-N 2.95Å; E130-C133 PolarHBondContact O-N 2.92Å; E130-M134 HydrophobicContact CG-SD 4.43Å; E130-M134 VanDerWaalsContact O-CG 3.32Å; E130-M134 WeakPolarHBondContact O-CG 3.49Å; E130-M134 PolarHBondContact O-N 2.62Å; E130-M134 VanDerWaalsContact O-N 3.08Å
131K95.1Very high92.7Very high126 Ų12646.9 Ų46.955%0.54824%0.237SC..Hα-helixtrans-61.7-37.3178.4-70.1-173.9175-160.70113.4L129 M134L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 2.83Å; K131-M134 PolarHBondContact O-N 3.31Å
132V95.4Very high92.8Very high21 Ų2147.5 Ų47.513%0.12724%0.24CC..Hα-helixtrans-71.4-36-179175.60000111.1T104 R107 I108 L111 G128 L129 E130T104-V132 WeakPolarHBondContact CB-O 3.33Å; T104-V132 HydrophobicContact CG2-CG1 4.23Å; T104-V132 PolarHBondContact OG1-O 3.15Å; R107-V132 HydrophobicContact CB-CG1 3.94Å; R107-V132 HydrophobicContact CG-CG1 3.85Å; R107-V132 HydrophobicContact CG-CG2 3.86Å; I108-V132 HydrophobicContact CG1-CG1 3.59Å; L111-V132 HydrophobicContact CD1-CG2 4.27Å; G128-V132 WeakPolarHBondContact O-CG2 3.08Å; G128-V132 PolarHBondContact O-N 2.84Å; L129-V132 PolarHBondContact O-N 2.97Å; E130-V132 VanDerWaalsContact C-N 3.33Å; E130-V132 PolarHBondContact O-N 2.95Å
133C95.2Very high92.7Very high2 Ų248.4 Ų48.41%0.01425%0.253CS..Hα-helixtrans-76.9-18.4174.8-64.20000113.7T94 L129 E130 V135T94-C133 HydrophobicContact CG2-CB 3.93Å; L129-C133 PolarHBondContact O-N 3.01Å; L129-C133 PolarHBondContact O-SG 2.84Å; E130-C133 PolarHBondContact O-N 2.92Å; C133-V135 VanDerWaalsContact C-N 3.27Å; C133-V135 PolarHBondContact O-N 3.35Å
134M93.8Very high92.7Very high124 Ų12451.7 Ų51.761%0.61127%0.271SS*.THydrogen-bonded Turntrans-76.2-5.6175.2-75.1177.173.200114.3E130 K131 V136E130-M134 HydrophobicContact CG-SD 4.43Å; E130-M134 VanDerWaalsContact O-CG 3.32Å; E130-M134 WeakPolarHBondContact O-CG 3.49Å; E130-M134 PolarHBondContact O-N 2.62Å; E130-M134 VanDerWaalsContact O-N 3.08Å; K131-M134 PolarHBondContact O-N 3.31Å; M134-V136 VanDerWaalsContact O-CG2 3.29Å; M134-V136 WeakPolarHBondContact O-CG2 3.49Å; M134-V136 PolarHBondContact O-N 3Å
135V87.5Confident92.3Very high39 Ų3953.4 Ų53.424%0.23628%0.278CS..  trans-86.990179.1-173.60000110.3F103 T104 C133 S137F103-V135 HydrophobicContact CD1-CG1 3.89Å; F103-V135 HydrophobicContact CE1-CG1 4.37Å; T104-V135 HydrophobicContact CG2-CB 3.66Å; T104-V135 HydrophobicContact CG2-CG1 3.98Å; T104-V135 HydrophobicContact CG2-CG2 3.87Å; C133-V135 VanDerWaalsContact C-N 3.27Å; C133-V135 PolarHBondContact O-N 3.35Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 3.27Å
136V74.7Confident91.7Very high115 Ų11557.7 Ų57.770%0.69730%0.3SS*.  trans-78.8-1.6-164.2-149.20000115.4M134 T138M134-V136 VanDerWaalsContact O-CG2 3.29Å; M134-V136 WeakPolarHBondContact O-CG2 3.49Å; M134-V136 PolarHBondContact O-N 3Å; V136-T138 PolarHBondContact O-N 3.44Å
137S90.5Very high90.2Very high58 Ų5863.8 Ų63.841%0.40633%0.328SS..  trans-68.9127.9176.960.10000111.3F103 V135F103-S137 VanDerWaalsContact CB-O 3.29Å; F103-S137 WeakPolarHBondContact CB-O 3.44Å; F103-S137 WeakPolarHBondContact CB-OG 3.48Å; F103-S137 PolarHBondContact N-O 3.09Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 3.27Å
138T93.5Very high88.4Confident45 Ų4567.3 Ų67.328%0.27635%0.349SS..BIsolated β-bridgetrans-96.2159.2-176.152.90000114.1I101 V136 I146I101-T138 CarbonylContact O-C 3.52Å; I101-T138 WeakPolarHBondContact O-CA 3.4Å; I101-T138 WeakPolarHBondContact O-CB 3.4Å; V136-T138 PolarHBondContact O-N 3.44Å; T138-I146 PolarHBondContact O-N 3.47Å
139V94.2Very high86.4Confident7 Ų770.9 Ų70.94%0.04236%0.364CS..BIsolated β-bridgetrans-129.4159.4175.9-66.20000111.3I101 F103 N144 I146I101-V139 HydrophobicContact CB-CG2 4.02Å; I101-V139 HydrophobicContact CG2-CG2 3.79Å; I101-V139 PolarHBondContact O-N 3.04Å; F103-V139 HydrophobicContact CB-CG1 3.99Å; V139-N144 CarbonylContact C-O 3.59Å; V139-N144 WeakPolarHBondContact CA-O 3.26Å; V139-N144 VanDerWaalsContact CB-O 3.32Å; V139-N144 WeakPolarHBondContact CB-O 3.45Å; V139-I146 WeakPolarHBondContact O-CD1 3.5Å
140D93.6Very high84.5Confident39 Ų3973.4 Ų73.421%0.20938%0.378CS..  trans-75.3170.8169.683.7-6.2000111.1Y142 G143 N144 I146D140-Y142 PolarHBondContact O-N 3.14Å; D140-Y142 VanDerWaalsContact OD1-C 3.23Å; D140-Y142 VanDerWaalsContact OD1-CA 3.24Å; D140-Y142 WeakPolarHBondContact OD1-CA 3.35Å; D140-Y142 WeakPolarHBondContact OD1-CB 3.29Å; D140-Y142 PolarHBondContact OD1-N 2.76Å; D140-G143 PolarHBondContact O-N 3.21Å; D140-G143 PolarHBondContact OD1-N 2.88Å; D140-N144 PolarHBondContact N-O 2.94Å; D140-N144 WeakPolarHBondContact OD1-CB 3.32Å; D140-N144 PolarHBondContact OD1-N 3.4Å; D140-N144 PolarHBondContact OD1-ND2 2.78Å; D140-N144 PolarHBondContact OD2-ND2 3.49Å; D140-I146 HydrophobicContact CB-CG1 4.29Å
141P93.9Very high83Confident32 Ų3278.1 Ų78.121%0.20841%0.411CS..THydrogen-bonded Turntrans-61.3-11.7177.9-24.935.5000115.1T44 R45 I101T44-P141 PolarHBondContact N-O 3.13Å; T44-P141 WeakPolarHBondContact OG1-CA 3.48Å; R45-P141 WeakPolarHBondContact CA-O 3.44Å; R45-P141 PolarHBondContact N-O 2.84Å; I101-P141 HydrophobicContact CD1-CB 4.19Å; I101-P141 HydrophobicContact CD1-CG 3.96Å
142Y92.9Very high82Confident124 Ų12481.2 Ų81.249%0.48642%0.419SS..THydrogen-bonded Turntrans-99.12.7177-54.7-82.9000112.5Q43 D140 N144Q43-Y142 WeakPolarHBondContact CG-O 3.49Å; Q43-Y142 PolarHBondContact NE2-O 3.25Å; D140-Y142 PolarHBondContact O-N 3.14Å; D140-Y142 VanDerWaalsContact OD1-C 3.23Å; D140-Y142 VanDerWaalsContact OD1-CA 3.24Å; D140-Y142 WeakPolarHBondContact OD1-CA 3.35Å; D140-Y142 WeakPolarHBondContact OD1-CB 3.29Å; D140-Y142 PolarHBondContact OD1-N 2.76Å; Y142-N144 VanDerWaalsContact C-N 3.34Å
143G90Very high80.6Confident35 Ų3587.2 Ų87.236%0.36144%0.443SS..SBendtrans82.16.8179.800000114.5D140D140-G143 PolarHBondContact O-N 3.21Å; D140-G143 PolarHBondContact OD1-N 2.88Å
144N90.8Very high78.9Confident96 Ų9691.6 Ų91.651%0.51347%0.472SS..  trans-72.4140174.5-54.5-57.5000109.6V139 D140 Y142 I146V139-N144 CarbonylContact C-O 3.59Å; V139-N144 WeakPolarHBondContact CA-O 3.26Å; V139-N144 VanDerWaalsContact CB-O 3.32Å; V139-N144 WeakPolarHBondContact CB-O 3.45Å; D140-N144 PolarHBondContact N-O 2.94Å; D140-N144 WeakPolarHBondContact OD1-CB 3.32Å; D140-N144 PolarHBondContact OD1-N 3.4Å; D140-N144 PolarHBondContact OD1-ND2 2.78Å; D140-N144 PolarHBondContact OD2-ND2 3.49Å; Y142-N144 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 2.8Å
145K84.9Confident77.2Confident134 Ų13488.7 Ų88.758%0.58346%0.464SS*.BIsolated β-bridgetrans-62.7124.4173.5-68.5177.7176.9-69.30109.4H147K145-H147 PolarHBondContact O-N 2.87Å; K145-H147 VanDerWaalsContact O-N 3.16Å
146I81.3Confident76Confident91 Ų9197 Ų9747%0.46749%0.491SS..  trans-75.1106.1169-63171.9000106.1T138 V139 D140 N144 Q148T138-I146 PolarHBondContact O-N 3.47Å; V139-I146 WeakPolarHBondContact O-CD1 3.5Å; D140-I146 HydrophobicContact CB-CG1 4.29Å; N144-I146 PolarHBondContact O-N 2.8Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 3.39Å
147H64.7Low75.3Confident127 Ų12796.1 Ų96.159%0.58850%0.496SS*.  trans-74.291.2176.5-174.261.2000109.4K145 E149K145-H147 PolarHBondContact O-N 2.87Å; K145-H147 VanDerWaalsContact O-N 3.16Å; H147-E149 VanDerWaalsContact C-N 3.31Å; H147-E149 IonicContact CD2-OE1 2.99Å; H147-E149 PolarHBondContact CD2-OE1 3Å; H147-E149 VanDerWaalsContact CD2-OE1 3.28Å; H147-E149 IonicContact CD2-OE2 3.99Å; H147-E149 IonicContact NE2-OE1 3.07Å; H147-E149 PolarHBondContact NE2-OE1 3.37Å; H147-E149 IonicContact NE2-OE2 2.66Å; H147-E149 PolarHBondContact NE2-OE2 3.32Å; H147-E149 PolarHBondContact O-N 2.94Å
148Q57.3Low73.5Confident168 Ų16896.4 Ų96.479%0.78551%0.508SS*.  trans-74.687.9170.8-172.9173.99.800108.4I146 D150I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 3.39Å; Q148-D150 PolarHBondContact O-N 3.36Å
149E52.4Low71.9Confident81 Ų81100 Ų10038%0.37952%0.524SS..  trans-48.7124.1167-60.3-77.6-169.800108.9H147 P151 S155H147-E149 VanDerWaalsContact C-N 3.31Å; H147-E149 IonicContact CD2-OE1 2.99Å; H147-E149 PolarHBondContact CD2-OE1 3Å; H147-E149 VanDerWaalsContact CD2-OE1 3.28Å; H147-E149 IonicContact CD2-OE2 3.99Å; H147-E149 IonicContact NE2-OE1 3.07Å; H147-E149 PolarHBondContact NE2-OE1 3.37Å; H147-E149 IonicContact NE2-OE2 2.66Å; H147-E149 PolarHBondContact NE2-OE2 3.32Å; H147-E149 PolarHBondContact O-N 2.94Å; E149-P151 WeakPolarHBondContact O-CD 3.29Å; E149-S155 VanDerWaalsContact OE1-CB 3.23Å; E149-S155 WeakPolarHBondContact OE1-CB 3.32Å; E149-S155 PolarHBondContact OE1-OG 3.25Å; E149-S155 WeakPolarHBondContact OE2-CB 3.19Å; E149-S155 PolarHBondContact OE2-N 2.8Å; E149-S155 PolarHBondContact OE2-OG 3.14Å
150D58Low70.3Confident53 Ų53106.5 Ų106.528%0.28356%0.559SS.*  trans-64.4123.6167.7-175.7-34000107.1Q148 R152 F153Q148-D150 PolarHBondContact O-N 3.36Å; D150-R152 PolarHBondContact O-N 2.7Å; D150-R152 WeakPolarHBondContact OD1-CB 3.38Å; D150-R152 VanDerWaalsContact OD1-CG 3.27Å; D150-R152 WeakPolarHBondContact OD1-CG 3.05Å; D150-R152 IonicContact OD1-CZ 2.73Å; D150-R152 PolarHBondContact OD1-N 2.98Å; D150-R152 IonicContact OD1-NE 3.93Å; D150-R152 PolarHBondContact OD1-NE 3.31Å; D150-R152 IonicContact OD1-NH2 3.63Å; D150-R152 IonicContact OD2-CZ 3.13Å; D150-R152 VanDerWaalsContact OD2-CZ 3.26Å; D150-R152 IonicContact OD2-NE 3.26Å; D150-R152 PolarHBondContact OD2-NE 3.46Å; D150-R152 VanDerWaalsContact OD2-NE 3.07Å; D150-R152 IonicContact OD2-NH2 2.68Å; D150-R152 PolarHBondContact OD2-NH2 3.28Å; D150-F153 HydrophobicContact CB-CD2 4.33Å; D150-F153 CarbonylContact O-C 3.24Å; D150-F153 VanDerWaalsContact O-C 3.24Å; D150-F153 WeakPolarHBondContact O-CA 3.29Å; D150-F153 PolarHBondContact O-N 2.92Å
151P63.2Low68.5Low124 Ų124111.6 Ų111.681%0.80559%0.587SS**THydrogen-bonded Turntrans-62.3-11-178.124.6-34.1000113.6E149E149-P151 WeakPolarHBondContact O-CD 3.29Å
152R73.5Confident66.6Low190 Ų190115.3 Ų115.372%0.71761%0.612SS**THydrogen-bonded Turntrans-81.6-21.2170.6-56.1174.5-66.9174.41.5113.3D150D150-R152 PolarHBondContact O-N 2.7Å; D150-R152 WeakPolarHBondContact OD1-CB 3.38Å; D150-R152 VanDerWaalsContact OD1-CG 3.27Å; D150-R152 WeakPolarHBondContact OD1-CG 3.05Å; D150-R152 IonicContact OD1-CZ 2.73Å; D150-R152 PolarHBondContact OD1-N 2.98Å; D150-R152 IonicContact OD1-NE 3.93Å; D150-R152 PolarHBondContact OD1-NE 3.31Å; D150-R152 IonicContact OD1-NH2 3.63Å; D150-R152 IonicContact OD2-CZ 3.13Å; D150-R152 VanDerWaalsContact OD2-CZ 3.26Å; D150-R152 IonicContact OD2-NE 3.26Å; D150-R152 PolarHBondContact OD2-NE 3.46Å; D150-R152 VanDerWaalsContact OD2-NE 3.07Å; D150-R152 IonicContact OD2-NH2 2.68Å; D150-R152 PolarHBondContact OD2-NH2 3.28Å
153F66.2Low64.4Low147 Ų147112.2 Ų112.265%0.64562%0.617SS**SBendtrans-136.462.4-175.1-58.1-71.5000111.6D150 S155D150-F153 HydrophobicContact CB-CD2 4.33Å; D150-F153 CarbonylContact O-C 3.24Å; D150-F153 VanDerWaalsContact O-C 3.24Å; D150-F153 WeakPolarHBondContact O-CA 3.29Å; D150-F153 PolarHBondContact O-N 2.92Å; F153-S155 PolarHBondContact O-N 2.89Å
154P60Low62.4Low94 Ų94118.8 Ų118.861%0.6164%0.643SS**  trans-58.5122.8173.126-34.3000110R156P154-R156 PolarHBondContact O-N 3.43Å
155S58Low60.5Low63 Ų63122 Ų12244%0.44166%0.659SS.*  trans-56135.5179.8-65.70000111.4E149 F153 A157E149-S155 VanDerWaalsContact OE1-CB 3.23Å; E149-S155 WeakPolarHBondContact OE1-CB 3.32Å; E149-S155 PolarHBondContact OE1-OG 3.25Å; E149-S155 WeakPolarHBondContact OE2-CB 3.19Å; E149-S155 PolarHBondContact OE2-N 2.8Å; E149-S155 PolarHBondContact OE2-OG 3.14Å; F153-S155 PolarHBondContact O-N 2.89Å; S155-A157 PolarHBondContact O-N 3.38Å
156R61.5Low59.1Low214 Ų214123.9 Ų123.981%0.80867%0.672SS**SBendtrans-70.418.9-175.1-71.817957127.80.1115P154 G158P154-R156 PolarHBondContact O-N 3.43Å; R156-G158 PolarHBondContact O-N 3.3Å
157A61.1Low57.5Low97 Ų97128.5 Ų128.580%0.80269%0.691SS**THydrogen-bonded Turntrans-79.843.8-174.100000113.5S155S155-A157 PolarHBondContact O-N 3.38Å
158G51.5Low56.4Low64 Ų64125.8 Ų125.866%0.6670%0.698SS**THydrogen-bonded Turntrans-171.638.1-177.600000113.4R156R156-G158 PolarHBondContact O-N 3.3Å
159L61Low55.9Low119 Ų119123.2 Ų123.262%0.62370%0.696SS**  trans-119.944.8177.1-167.564.3000110.7
160D59.6Low55.6Low144 Ų144125.7 Ų125.777%0.7772%0.716SS**  trans-137.216-175.357.9-42000114.2
161D56.8Low55Low147 Ų147130.4 Ų130.479%0.78675%0.747SS**  trans-129.970.1162.7-166.16.5000112.7G163D161-G163 PolarHBondContact OD1-N 2.97Å
162C54.7Low54.1Low110 Ų110130.1 Ų130.174%0.74375%0.748SS**  trans-9472.4161.1-75.30000109.9L164C162-L164 PolarHBondContact O-N 3.29Å; C162-L164 VanDerWaalsContact O-N 3.11Å
163G45.2Very low52.8Low58 Ų58126.6 Ų126.660%0.59875%0.75SS**  trans-51.9113.1173.900000112.7D161 I165D161-G163 PolarHBondContact OD1-N 2.97Å; G163-I165 PolarHBondContact O-N 3.23Å
164L48.5Very low52.4Low173 Ų173125.6 Ų125.691%0.90676%0.758SS**  trans-67.1118.7-179-68.1169.5000111.3C162C162-L164 PolarHBondContact O-N 3.29Å; C162-L164 VanDerWaalsContact O-N 3.11Å
165I51.5Low51.7Low165 Ų165127.5 Ų127.585%0.84677%0.768SS**  trans-109.9107.8162.6-56.4-178.3000107.7G163G163-I165 PolarHBondContact O-N 3.23Å
166M55.9Low51Low173 Ų173129.5 Ų129.585%0.85278%0.782SS**  trans-112.1100.6-175.1173-177.4160.300109.9
167E46.3Very low50.5Low187 Ų187125.5 Ų125.587%0.87478%0.784SS**  trans-144125.8167.4-76.4-62.2173.400109.5
168G42.7Very low49.4Very low70 Ų70126.2 Ų126.272%0.72278%0.783SS**  trans138.8103.1-174.900000113.2
169P46.3Very low49.4Very low115 Ų115128.3 Ų128.375%0.74779%0.785SS**  trans-105.1168.6-161.838.6-36.2000116.6
170V45.2Very low48.7Very low132 Ų132129.7 Ų129.780%0.879%0.793SS**  trans60.498.3160.5-66.50000120.5
171T46.6Very low47.9Very low153 Ų153129.8 Ų129.894%0.93979%0.794SS**  -159.1130.2120.24.70000110.1
172S44.7Very low47.4Very low118 Ų118128.1 Ų128.183%0.82579%0.791SS**  trans-98.3148.9-172.844.10000113.5
173P46.4Very low46.8Very low115 Ų115131.3 Ų131.375%0.74780%0.795SS**  trans-95.3164-171.637.9-37.4000114.6
174P56.6Low46.8Very low127 Ų127133.9 Ų133.983%0.82580%0.799SS**  trans-90.3103.5169.933.9-30.8000113.4
175T45.2Very low46.7Very low133 Ų133132.3 Ų132.382%0.81679%0.786SS**  trans11129142.5-42.20000120.5
176S44Very low46.3Very low106 Ų106132 Ų13274%0.74178%0.781SS**  trans-75.1165.7167.7-39.40000114.1
177P50.6Low45.7Very low130 Ų130131.4 Ų131.484%0.84478%0.779SS**  trans-124.7161.9140.736.6-28.1000113.3
178S38.8Very low46.2Very low111 Ų111128.3 Ų128.378%0.77678%0.778SS**  trans-153-177.1-177.7-164.60000108.2
179P51.3Low46.2Very low109 Ų109133.4 Ų133.471%0.70878%0.781SS**  -106.1-177.3-75.739.1-28.9000111.6
180D46Very low46.7Very low147 Ų147133.3 Ų133.379%0.78678%0.783SS**  trans-172.7126.1138.5-112.6-31.3000115.9
181N43.3Very low46.9Very low147 Ų147130.8 Ų130.879%0.78677%0.771SS**  trans50.5166.2144.1-93.6-24.1000123.4
182P46Very low47.2Very low112 Ų112131.6 Ų131.673%0.72777%0.77SS**  trans-137.7-143.9-140.343.9-21.9000114.6
183Q41.5Very low47.7Very low177 Ų177134.9 Ų134.983%0.82777%0.772SS**  trans102.5145.2159.6-142.3-17813.700117.5
184V45.5Very low48Very low112 Ų112137.7 Ų137.768%0.67978%0.775SS**  trans73.8131.2167-176.10000116.7
185H45.6Very low47.7Very low139 Ų139137.6 Ų137.664%0.64477%0.766SS**  cis-171.6172.8-14.7-106.2-168.5000109.2
186H44.5Very low47.5Very low159 Ų159137.2 Ų137.274%0.73676%0.764SS**  trans70.3159.7157.5-54.8-56.6000118.9
187I43Very low47.8Very low160 Ų160140.9 Ų140.982%0.82177%0.77SS**  -170.1144.4-53-110.9168.6000108.5
188S57.6Low47.6Very low122 Ų122143.6 Ų143.685%0.85377%0.771SS**  trans-163.2163.6167.3-153.90000112
189K42.5Very low48.5Very low177 Ų177147.7 Ų147.777%0.7778%0.778SS**  trans-162.9113.4176.3-172.2-130.7166.5-173.50115.7S191K189-S191 WeakPolarHBondContact CE-OG 3.2Å
190S56.5Low48.4Very low113 Ų113150.4 Ų150.479%0.7979%0.787SS**  trans-163.8122.4152.651.70000107.9
191S49.5Very low48.8Very low80 Ų80151.1 Ų151.156%0.55979%0.79SS**  cis76.5110.926.9-55.20000116.4K189K189-S191 WeakPolarHBondContact CE-OG 3.2Å
192D53.2Low49.1Very low170 Ų170152.5 Ų152.591%0.90979%0.792SS**  -152.2163.9122.1-104.7-22.6000109.1
193E54Low49Very low187 Ų187150.1 Ų150.187%0.87479%0.788SS**  trans-143.5156.3-175.2-62.1-175.415300110.8
194E52.1Low49.3Very low173 Ų173150.2 Ų150.281%0.80879%0.788SS**  trans-158.5136.3150.2-118.5-177.1155.500113.4
195I50.2Low49.4Very low125 Ų125153.2 Ų153.264%0.64180%0.8SS**  trans31.3116.8135.7-62.8173.5000116.7E197I195-E197 HydrophobicContact CG2-CG 4.45Å
196T40.9Very low49.3Very low125 Ų125153.8 Ų153.877%0.76781%0.808SS**  cis7089.625.9-33.80000116.8
197E52Low49.1Very low184 Ų184151.8 Ų151.886%0.8681%0.812SS**  trans-142.2148.6146.9-68.2-163.315600109I195I195-E197 HydrophobicContact CG2-CG 4.45Å
198E45.2Very low49.1Very low186 Ų186150.2 Ų150.287%0.86982%0.815SS**  trans-128.4143.2175.5-67.8-178.4-159.400107.9
199E58.5Low48.2Very low197 Ų197151.4 Ų151.492%0.92181%0.812SS**  trans-123.7128.9175.5-69.8-170.3135.300110.6
200D48Very low48.3Very low167 Ų167146.6 Ų146.689%0.89381%0.812SS**  trans-79155.8171.9-58.6-75.7000111.6
201D54.5Low47.7Very low162 Ų162145.5 Ų145.587%0.86681%0.805SS**  trans-143.5143.7154.4-159.48.9000110.8
202E51.3Low47.5Very low176 Ų176149 Ų14982%0.82282%0.817SS**  trans-83.9157.6-179-60.8-87.6-17500108.6
203G42.4Very low47.1Very low61 Ų61146.1 Ų146.163%0.62980%0.798SS**  cis108.490.528.500000109.6
204E47.8Very low46.6Very low180 Ų180146.4 Ų146.484%0.84179%0.791SS**  trans-164.684.7161.4-120.4-175.6-13500112
205D47.2Very low46Very low174 Ų174147.3 Ų147.393%0.9380%0.796SS**  trans-85.1116.2167.1-85.2-36.9000109.9
206N45.1Very low45.3Very low152 Ų152146.6 Ų146.681%0.81380%0.802SS**  trans-115.6112.3172.8-110.2-54.5000110.8
207S40.3Very low45.5Very low117 Ų117146.8 Ų146.882%0.81881%0.805SS**  trans-124137.3174.167.80000110.2
208S42.6Very low44.5Very low126 Ų126146.4 Ų146.488%0.88180%0.801SS**  trans-13691.8177.2-176.50000108.8
209D38.9Very low44.3Very low148 Ų148142.1 Ų142.179%0.79180%0.797SS**  trans-74155.5164.7-173.923.8000110.1
210G43.3Very low43.1Very low75 Ų75138.9 Ų138.977%0.77378%0.782SS**  trans-156.599.6-176.700000110.6
211S44.3Very low42.8Very low91 Ų91139.7 Ų139.764%0.63678%0.78SS**  trans-123.4139.3-173.940.30000111.8
212D46.5Very low41.7Very low152 Ų152137.9 Ų137.981%0.81378%0.78SS**  trans163.8156.8158.9-92.2-22.2000109.2
213E43.3Very low41.2Very low111 Ų111138.2 Ų138.252%0.51978%0.784SS.*  cis-146.4155.8-7.4-121.9-137.729.900111.6
214R43.1Very low40.9Very low192 Ų192143.1 Ų143.173%0.72580%0.795SS**  trans-4.9145160-47.1177.1-132.6-129.5-8.1120.2
215Q41.3Very low40.5Very low192 Ų192139.2 Ų139.290%0.89779%0.785SS**  -174.5166.399.1-98.4168.760.400114
216S34.2Very low40Very low110 Ų110138.1 Ų138.177%0.76978%0.779SS**  trans-156.3145.3-175.1170.40000112
217P44.6Very low39.6Very low129 Ų129136.8 Ų136.884%0.83878%0.779SS**  trans-129.7178.1150.936.9-23.5000113.4
218K32.9Very low39.3Very low177 Ų177139.2 Ų139.277%0.7778%0.782SS**  trans-151.5128.1-157.9172.7-164.4171.5-159.60112.8E220K218-E220 VanDerWaalsContact CE-OE1 3.29Å; K218-E220 WeakPolarHBondContact CE-OE1 3.35Å; K218-E220 IonicContact NZ-OE1 3.76Å; K218-E220 PolarHBondContact NZ-OE1 3.08Å
219A40Very low39.1Very low95 Ų95142.3 Ų142.379%0.78579%0.785SS**  trans-170.9154.4157.800000108.3
220E34.5Very low38.9Very low130 Ų130142 Ų14261%0.60778%0.784SS**  cis150.3121.4-23.8-95.5-178.4-163.300107.4K218K218-E220 VanDerWaalsContact CE-OE1 3.29Å; K218-E220 WeakPolarHBondContact CE-OE1 3.35Å; K218-E220 IonicContact NZ-OE1 3.76Å; K218-E220 PolarHBondContact NZ-OE1 3.08Å
221H39.8Very low38.6Very low184 Ų184146.1 Ų146.185%0.85279%0.788SS**  trans64.2141.3175.4-52.7-59.7000117.2
222S33.2Very low38.1Very low123 Ų123146.8 Ų146.886%0.8679%0.792SS**  cis-148.8-179.730.5-166.10000113.4
223M38.9Very low37.4Very low184 Ų184145 Ų14591%0.90679%0.79SS**  trans-106.3141-174.2-62.2177172.700114.1
224N36.5Very low36.9Very low163 Ų163144.1 Ų144.187%0.87280%0.802SS**  trans-164141.4139.5-144.913000111.3
225P41Very low36.6Very low98 Ų98139.7 Ų139.764%0.63680%0.801SS**  trans-111151.8-177.238.6-30.6000115.3
226N35.2Very low36.2Very low151 Ų151135.3 Ų135.381%0.80779%0.791SS**  trans54141.8151.5-57.8-4.4000119.9
227P37.9Very low36.2Very low124 Ų124141.9 Ų141.981%0.80580%0.8SS**  -135.7169.392.538.9-29.3000114.3
228L34Very low35.8Very low169 Ų169142.1 Ų142.189%0.88579%0.793SS**  trans-68.3146.8175.6-61.891.6000111.6
229M38.5Very low35.9Very low190 Ų190142.3 Ų142.394%0.93679%0.794SS**  trans-119121.6159.6-113.3178.7167.800110.8
230N34.6Very low35.7Very low143 Ų143147.9 Ų147.977%0.76580%0.801SS**  trans-69.2135.7170.2172.626.1000109.6
231N36.4Very low35.8Very low161 Ų161146.2 Ų146.286%0.86181%0.809SS**  trans-142.893.1168.8-121.3-2.9000111.3
232S33Very low35.8Very low105 Ų105145 Ų14573%0.73480%0.804SS**  trans-82.4112.3168.4170.70000109.2
233C31.7Very low36Very low113 Ų113147.4 Ų147.476%0.76481%0.807SS**  trans-106.7105.7173.6-165.50000110.7
234A33.7Very low36Very low94 Ų94143.6 Ų143.678%0.77781%0.805SS**  trans-99.1111.7166.700000108.9
235S36.4Very low36.1Very low98 Ų98140.8 Ų140.869%0.68580%0.798SS**  trans-101.8104.9174.6-58.10000109.7
236S33.6Very low36Very low101 Ų101142.8 Ų142.871%0.70680%0.803SS**  trans-88.8114.7-172.5-176.50000112.6L238S236-L238 VanDerWaalsContact C-N 3.28Å; S236-L238 PolarHBondContact O-N 3.31Å; S236-L238 VanDerWaalsContact O-N 3.11Å; S236-L238 WeakPolarHBondContact OG-CB 3.44Å
237W33.4Very low36.2Very low248 Ų248143.3 Ų143.394%0.93981%0.805SS**  trans-80.470.5165.1-74.5104.7000110.7
238L36.3Very low36.3Very low134 Ų134142 Ų14270%0.70280%0.797SS**  trans-153.980.3-178.4-151.6162.7000113.2S236S236-L238 VanDerWaalsContact C-N 3.28Å; S236-L238 PolarHBondContact O-N 3.31Å; S236-L238 VanDerWaalsContact O-N 3.11Å; S236-L238 WeakPolarHBondContact OG-CB 3.44Å
239F34.7Very low36.7Very low180 Ų180142.3 Ų142.379%0.78979%0.793SS**  trans-162.590.7164.3-118.1-69.5000114.4
240K36.3Very low37Very low212 Ų212140.1 Ų140.192%0.92279%0.791SS**  trans-16163150.7-148.8167-173.6175.30115.2
241A37.4Very low37.7Very low95 Ų95138.8 Ų138.879%0.78579%0.79SS**  trans-151.5100.2165.300000111.8
242Q38.3Very low37.7Very low160 Ų160137.1 Ų137.175%0.74879%0.788SS**  trans-139.5102.1169.1-81.1-172.7-22.500109.9
243N37.5Very low38.8Very low172 Ų172140.8 Ų140.892%0.9280%0.796SS**  trans168.189.8139.9-90.3-21.4000111.8
244A39Very low39.5Very low104 Ų104140.8 Ų140.886%0.8679%0.794SS**  trans-165.5111.9153.200000109.3
245S39.6Very low39.4Very low104 Ų104146.5 Ų146.573%0.72780%0.802SS**  trans-87.5128.7-176.7530000112.9
246N39.1Very low39.8Very low140 Ų140153.3 Ų153.375%0.74981%0.813SS**  155.4143.1117.3-82.7-56.3000116.2
247L40Very low39.8Very low163 Ų163153.6 Ų153.685%0.85382%0.815SS**  trans73.7148.7155.3-104.450.8000121.1
248P38.9Very low40.1Very low97 Ų97146.6 Ų146.663%0.6380%0.803SS**  trans-136.5-174.6-152.943.2-24.2000117.8
249H41.7Very low40.3Very low175 Ų175147.5 Ų147.581%0.8181%0.807SS**  trans78.3113159.6-65.7-51.9000120.9
250T46.2Very low40.6Very low143 Ų143145.6 Ų145.688%0.87781%0.811SS**  -161.9158.5110.313.50000110.7
251P47.7Very low40.5Very low115 Ų115145.2 Ų145.275%0.74781%0.809SS**  trans-98.7163.4-165.337.9-35.8000115.6
252P38.5Very low40.6Very low127 Ų127148 Ų14883%0.82582%0.817SS**  trans-86.5165.6-178.135.8-37000114.6
253M54.5Low40.4Very low181 Ų181150.9 Ų150.989%0.89282%0.82SS**  trans-118.4149.7173.7-82-72.3-7500112
254P46.5Very low40.6Very low114 Ų114148.9 Ų148.974%0.7481%0.809SS**  trans-98.5160.1-163.637.8-37000115.8
255F32.3Very low40.7Very low213 Ų213149.4 Ų149.493%0.93480%0.802SS**  trans-64.6151.2164.8-83-97.6000112.6
256R43.7Very low40.7Very low242 Ų242150.9 Ų150.991%0.91380%0.802SS**  trans-149.9129.9155.9-150.8175.3-164.7-121.61.1111.9
257S33.9Very low40.9Very low107 Ų107153.5 Ų153.575%0.74881%0.81SS**  trans-115141.1177.6500000111.5
258S41Very low40.9Very low100 Ų100150.8 Ų150.870%0.69980%0.804SS**  trans-173.6104.9168.8-74.30000106.7
259I39.7Very low41.1Very low153 Ų153154.4 Ų154.479%0.78582%0.817SS**  61102.778.7-54.9169.8000113.4
260T40.1Very low41.1Very low141 Ų141150.4 Ų150.487%0.86581%0.814SS**  179.6156.9122.425.10000111.7
261K34.3Very low41Very low204 Ų204149.2 Ų149.289%0.88781%0.812SS**  trans-113.7142.9171-84.3-179.8174.2174.90109.9
262T40.1Very low40.6Very low153 Ų153148 Ų14894%0.93981%0.811SS**  trans-146.6168.4156.820.60000110.3
263R34.8Very low40.8Very low220 Ų220147.3 Ų147.383%0.8381%0.807SS**  trans-139.1166.5-157.1-172.4-164.1170.7-156.9-2.1111
264L40.8Very low39.9Very low130 Ų130146.5 Ų146.568%0.68181%0.805SS**  trans82.9148.4169.2-51.3174.6000114
265T41.3Very low39.7Very low116 Ų116149.2 Ų149.271%0.71281%0.813SS**  cis-147.8130.71.23.90000107
266D40.5Very low40Very low135 Ų135144.5 Ų144.572%0.72281%0.806SS**  76.4111.885.6-166.710.5000116
267Q42.8Very low39.9Very low195 Ų195136.4 Ų136.491%0.91180%0.798SS**  trans-168.5145.6142.7-111.2157.7106.800111.1
268S38.9Very low40.2Very low105 Ų105139.8 Ų139.873%0.73481%0.807SS**  trans-105.6163.1-171.6710000114.4
269L43.2Very low39.8Very low174 Ų174141.8 Ų141.891%0.91182%0.819SS**  -161.6164.7129.2-105.9163.9000111.5
270A41.9Very low39.8Very low90 Ų90137.5 Ų137.574%0.74481%0.813SS**  trans-77.9173.6-172.300000113
271S44.8Very low39.7Very low118 Ų118136.6 Ų136.683%0.82581%0.812SS**  cis-156.5163.923.554.40000115.2
272A38.5Very low39.7Very low90 Ų90135 Ų13574%0.74481%0.813SS**  trans-85.5-173.8175.600000111.9
273P42.8Very low39.5Very low112 Ų112136.3 Ų136.373%0.72781%0.813SS**  cis-141.3163.78.242.7-23.6000119.6
274L36.1Very low39.4Very low165 Ų165131.4 Ų131.486%0.86481%0.812SS**  trans35.2119.4142.8-59173.8000121.1
275L42.2Very low39.2Very low171 Ų171129.7 Ų129.790%0.89582%0.817SS**  trans-147.8136.9134.5-113.9159.8000111
276S39.5Very low38.9Very low114 Ų114135.3 Ų135.380%0.79783%0.827SS**  trans-70146.2-176.749.90000114.3
277G39.7Very low38.9Very low72 Ų72134.3 Ų134.374%0.74283%0.83SS**  trans17996.3168.300000116
278L41.5Very low38.8Very low177 Ų177132 Ų13293%0.92782%0.824SS**  trans42.8105.5150.1-56.3175.7000119
279C32.4Very low38.6Very low143 Ų143134.5 Ų134.597%0.96683%0.829SS**  trans-79139.5154.9-173.70000109.6
280G39.6Very low38.6Very low63 Ų63133.7 Ų133.765%0.64983%0.826SS**  trans-165.5128.7178.400000114.3
281S38.4Very low38.6Very low121 Ų121138.2 Ų138.285%0.84683%0.831SS**  trans45.694.2157.6-57.60000119.7
282L33.6Very low38.7Very low172 Ų172140.6 Ų140.690%0.90184%0.835SS**  trans-131.178.1147.3-77.3-179.6000110.2
283L35.9Very low38.9Very low179 Ų179145.4 Ų145.494%0.93784%0.835SS**  trans-167.490.3158.1-134.475.2000111.3
284S33Very low38.8Very low118 Ų118146.6 Ų146.683%0.82584%0.836SS**  trans-165.8113157.8-172.60000109.4
285A35.9Very low38.7Very low93 Ų93148 Ų14877%0.76984%0.838SS**  trans-160.540.1-179.100000112.7
286Y36.5Very low38.6Very low235 Ų235146.8 Ų146.892%0.92283%0.831SS**  trans-151.5101.9159.3-98.2-74.6000107.4
287S39.1Very low38.5Very low114 Ų114148.3 Ų148.380%0.79783%0.83SS**  trans-127.4141.3169.1-171.60000106.6
288N41.3Very low38.2Very low145 Ų145156.6 Ų156.678%0.77584%0.839SS**  trans-69154.7-171.7-60-24.4000111.7
289N34.2Very low38.1Very low158 Ų158154.2 Ų154.285%0.84583%0.834SS**  trans-77.7132157.6-41.1-74.2000107.3
290D44.3Very low38.1Very low157 Ų157152.4 Ų152.484%0.8482%0.823SS**  trans-145.7149.7149.6-89.6-52.7000106.4
291E40.7Very low38Very low185 Ų185158.8 Ų158.886%0.86484%0.836SS**  trans-90.3140.6-162-55.9-169.5150.500112.9
292D47.5Very low37.8Very low169 Ų169157.8 Ų157.890%0.90483%0.829SS**  trans-139.7124.2166.6-159.43.6000108.2
293Y43.2Very low37.8Very low191 Ų191158.7 Ų158.775%0.74983%0.826SS**  trans-114.5145.7-161.5-136.8-85.6000111.7
294D40.4Very low37.9Very low137 Ų137157.8 Ų157.873%0.73382%0.817SS**  trans55.889.2175.1-72.7-35000118.4
295Q33.1Very low38Very low195 Ų195156.6 Ų156.691%0.91181%0.805SS**  trans-112.8102.4155.4-168.4-175.2125.800110.7
296L40.7Very low38Very low144 Ų144159 Ų15975%0.75480%0.804SS**  trans-134.5144.5172.9-85.5174.2000113.2
297N36.6Very low38.2Very low146 Ų146152.7 Ų152.778%0.78180%0.795SS**  trans64.180.8166.4-60.1-23.7000118.4
298R33.8Very low37.9Very low247 Ų247154.5 Ų154.593%0.93280%0.795SS**PPolyproline II helixtrans-98.3117.3138.9-87.9-173175-118.51.8109.7
299P40.6Very low37.6Very low126 Ų126152.6 Ų152.682%0.81879%0.789SS**PPolyproline II helixtrans-72.6143.1165.8-13.229000110.9
300S31.5Very low37.5Very low106 Ų106151.9 Ų151.974%0.74178%0.781SS**PPolyproline II helixtrans-84139.5162.153.70000110.5
301E38.4Very low37.1Very low197 Ų197148.1 Ų148.192%0.92176%0.764SS**  -172.9171.2122.2-104.6178.9154.700111.5
302S34.5Very low36.7Very low100 Ų100143.1 Ų143.170%0.69974%0.742SS**  trans-134.2134.7-164.165.70000114
303K33.4Very low36.1Very low190 Ų190137.3 Ų137.383%0.82672%0.715SS**  trans58.3123.1163.4-58.2177.2177.1179.40115.2
304H37.8Very low35.7Very low161 Ų161134.4 Ų134.475%0.74571%0.713SS**  -163.1138.282-123-92000115.2
305T34.5Very low35.4Very low93 Ų93135.3 Ų135.357%0.57171%0.712SS**  trans42.2112.4144.148.70000122.6
306D36.3Very low35.5Very low142 Ų142133.2 Ų133.276%0.75971%0.706SS**  94.1134.2116.6-57-11.6000122.9
307S40.2Very low35Very low104 Ų104131.5 Ų131.573%0.72771%0.707SS**  trans91.8110.8153.4-490000120
308N32.1Very low34.8Very low151 Ų151129.8 Ų129.881%0.80771%0.706SS**  52.1141.5121.8-62.66.1000120.6
309T35.3Very low35Very low105 Ų105124.7 Ų124.764%0.64470%0.702SS**  cis-173.8139.91.3-96.70000108.3
310Q33.3Very low34.8Very low143 Ų143121.9 Ų121.967%0.66870%0.696SS**  trans32.7142.5135.8-134-168.1-9.500119.4I591Q310-I591 HydrophobicContact CG-CG2 4.27Å
311V36.1Very low35.1Very low79 Ų79122 Ų12248%0.47970%0.697SS.*  cis-170151.737.4-144.30000110.4I591V311-I591 HydrophobicContact CG1-CD1 4.05Å; V311-I591 HydrophobicContact CG1-CG2 3.93Å
312N32Very low34.9Very low79 Ų79118.9 Ų118.942%0.42269%0.686SS.*  trans48157.1133.8-75.74.7000124.2I591 F592N312-I591 WeakPolarHBondContact OD1-CG1 3.48Å; N312-I591 VanDerWaalsContact OD1-CG2 3.29Å; N312-I591 WeakPolarHBondContact OD1-CG2 3.33Å; N312-F592 PolarHBondContact N-O 3.46Å
313S34.3Very low34.9Very low48 Ų48123.2 Ų123.234%0.33669%0.693SS.*  cis175.3158.5-24.2-95.70000110E593S313-E593 PolarHBondContact N-OE2 3.27Å
314D34Very low34.8Very low130 Ų130120 Ų12070%0.69569%0.693SS**  trans63.7138.7161-56.7-52.4000116.9
315H36.1Very low34.7Very low155 Ų155117.6 Ų117.672%0.71870%0.695SS**  -170144.156.8-91.2-71.2000113.9
316L33.3Very low34.7Very low151 Ų151121.4 Ų121.479%0.79171%0.706SS**  trans67.8117.5138.9-62.3171.4000123.3
317S32.1Very low35.1Very low109 Ų109120.7 Ų120.776%0.76271%0.709SS**  111.3133.1120.776.30000121.3
318S32.1Very low34.8Very low110 Ų110120.6 Ų120.677%0.76971%0.708SS**  trans64.9145.4147.7-98.80000120
319V38.1Very low34.9Very low139 Ų139122.1 Ų122.184%0.84271%0.71SS**  cis-148.7150.6-0.4-148.30000109.9
320G36.5Very low34.8Very low67 Ų67123 Ų12369%0.69172%0.719SS**  89.1120.9128.900000121.9
321S36Very low34.8Very low108 Ų108123.5 Ų123.576%0.75573%0.726SS**  trans65.5138.2133.8136.20000121.3
322D35.7Very low34.8Very low132 Ų132128.5 Ų128.571%0.70674%0.744SS**  cis-173.8175.6-16-109.9-33.1000110
323F34.2Very low34.9Very low192 Ų192128.8 Ų128.884%0.84276%0.757SS**  trans68.6103.2164.2-67-66.8000120.9
324C31.1Very low35Very low121 Ų121134.6 Ų134.682%0.81878%0.783SS**  trans-101152.8141.71740000108.7
325S35.4Very low35.1Very low112 Ų112134.4 Ų134.478%0.78379%0.789SS**  trans-174.7147.4150-80.20000112.5
326E35.1Very low35.5Very low172 Ų172133.9 Ų133.980%0.80480%0.797SS**  trans-75.2-174.6156.5-61.3-173.1119.600110.7
327P44.1Very low36Very low127 Ų127135.6 Ų135.683%0.82580%0.801SS**  -141.5159.1122.238-27000115.1
328S34.1Very low36.2Very low103 Ų103135.8 Ų135.872%0.7280%0.802SS**  trans-117.6160.8162.4-73.20000111.2
329E33.4Very low36.6Very low182 Ų182137.2 Ų137.285%0.8580%0.801SS**  trans75.6151.3159.7-64.3-161.8135.800122.9
330C34.4Very low36.7Very low123 Ų123137.6 Ų137.683%0.83180%0.797SS**  trans85149.8154.3-77.40000121.9
331L32.2Very low36.8Very low155 Ų155141 Ų14181%0.81280%0.795SS**  trans-101.3150.2-170.1-62.1160000111.2
332H36.2Very low37Very low184 Ų184142.3 Ų142.385%0.85279%0.79SS**  171.7139.2118.7-99.4-79.4000114.9
333A34Very low37.2Very low84 Ų84144.3 Ų144.369%0.69479%0.792SS**  trans52.5106.7145.300000123.2
334L37.4Very low37.7Very low170 Ų170140.8 Ų140.889%0.8979%0.788SS**  26.7143.5127.5-52.6-179.7000122.6
335P36.4Very low38.3Very low126 Ų126140.8 Ų140.882%0.81879%0.789SS**  trans-130.5132.5143.536.3-23.1000114.5
336V43Very low38.7Very low144 Ų144142.9 Ų142.987%0.87379%0.792SS**  trans-138.9143.6154.9175.40000107.6
337E44.6Very low39.1Very low188 Ų188140.5 Ų140.588%0.87979%0.785SS**  trans-75.8165.7-161.4-61-179.89900115.7
338S36.8Very low39Very low112 Ų112137.3 Ų137.378%0.78377%0.765SS**  trans-139.4146.8177.7-690000111.1
339N39.5Very low39.4Very low141 Ų141142 Ų14275%0.75477%0.768SS**  trans-150.1119.1168.6-104.2-65.1000111.5
340L41.1Very low39.7Very low146 Ų146141.6 Ų141.676%0.76476%0.763SS**  trans55.1131.6142.3-57.7175.8000119
341Q38.2Very low39.9Very low139 Ų139142.5 Ų142.565%0.6576%0.758SS**  cis-172.9152.211.11701533.400111.5
342E39.7Very low40Very low136 Ų136140.4 Ų140.464%0.63676%0.757SS**  trans32.6147.1154.7-77.8-173.810200122.5
343K40.8Very low40.5Very low174 Ų174137.7 Ų137.776%0.75776%0.756SS**  cis-174.1157.33.9168-176.3-148.31440110.3
344P44.3Very low40.5Very low118 Ų118138 Ų13877%0.76676%0.759SS**  trans-114.5163.3-162.841.2-33.7000118.1
345S43.2Very low40.7Very low120 Ų120134.4 Ų134.484%0.83975%0.753SS**  trans178.8152.8163.312.30000109
346D42.9Very low40.8Very low157 Ų157137 Ų13784%0.8475%0.754SS**  cis-162167.7-10.7-146.5-22.9000112.3
347D43.9Very low40.9Very low121 Ų121137.3 Ų137.365%0.64775%0.751SS**  trans67.8130.2147.8-147.313.5000125.9R349D347-R349 IonicContact OD2-NH2 3.46Å
348S43.3Very low40.7Very low60 Ų60135.8 Ų135.842%0.4274%0.744SS.*  trans90.6109.3134.8-85.80000127.9
349R42.3Very low41Very low203 Ų203136.6 Ų136.677%0.76674%0.737SS**  66.8152.2124.1-70.9177.1-91.3-157.2-9.4119.3D347D347-R349 IonicContact OD2-NH2 3.46Å
350K40Very low41Very low173 Ų173138 Ų13875%0.75274%0.739SS**  cis-162.5131.92.1-137.6171168.4-77.60114.8
351L37.5Very low41Very low141 Ų141137.5 Ų137.574%0.73874%0.737SS**  trans21.1130.7142.8-67.2163.1000125.9
352S34.5Very low41Very low111 Ų111136.7 Ų136.778%0.77674%0.737SS**  87.5155.9123.568.30000124.4
353P46.5Very low40.9Very low128 Ų128135.5 Ų135.583%0.83174%0.744SS**  trans-129.9-170.3-162.945.2-28.3000116.8
354A34.1Very low40.6Very low91 Ų91134.2 Ų134.275%0.75274%0.744SS**  trans136.9134.9137.900000118.6
355A41.7Very low40.2Very low93 Ų93134 Ų13477%0.76974%0.743SS**  trans-175.9153.1154.900000108.4
356Q39.4Very low39.6Very low181 Ų181139.6 Ų139.685%0.84675%0.746SS**  cis107.796.90-64.9-173-114.700119
357D44.2Very low39.2Very low151 Ų151138.2 Ų138.281%0.80774%0.738SS**  trans-171.7129.8136.9-102.23.2000106.6
358E40Very low38.9Very low155 Ų155141.5 Ų141.572%0.72475%0.75SS**  66.1134.982.3-61.8-127.810200114.1
359M43.3Very low38.6Very low130 Ų130142.2 Ų142.264%0.6476%0.759SS**  cis-161.2160.86.2-135.5-165.4-159.800112.3
360Q40.7Very low38.4Very low171 Ų171138.8 Ų138.880%0.79976%0.761SS**  trans65.6160.5156.5-63.4167.16.200120.4
361D39.6Very low38.5Very low135 Ų135140 Ų14072%0.72277%0.767SS**  cis-168.8165.1-39.4-169.519.9000109.9
362N38.5Very low38.4Very low122 Ų122141 Ų14165%0.65277%0.769SS**  trans78.4103.1165.6-65.5-77.2000122
363S38.1Very low38.8Very low111 Ų111141.4 Ų141.478%0.77677%0.77SS**  68111.9117.8-54.40000122.6
364L34.2Very low38.4Very low147 Ų147142.1 Ų142.177%0.7777%0.765SS**  trans-66.9156.9155.5-67164000111
365P36.8Very low38.8Very low113 Ų113144 Ų14473%0.73477%0.766SS**  -136.5176.272.937.9-21.9000115.2
366W30.3Very low38.4Very low238 Ų238146.4 Ų146.490%0.90277%0.767SS**  trans-101.6131.5178.4-73.720.5000112.2
367N35.4Very low38.4Very low128 Ų128143.2 Ų143.268%0.68476%0.764SS**  trans-158.7158.3160.448.8-89.6000109.4
368E35.8Very low38.2Very low189 Ų189144.6 Ų144.688%0.88377%0.766SS**  trans71.1151.6176.4-154.4168-154.800116
369A38.4Very low37.8Very low75 Ų75142.6 Ų142.662%0.6276%0.764SS**  -159.4156.4-53.500000110.5
370T38Very low37.6Very low132 Ų132144.4 Ų144.481%0.8178%0.776SS**  trans66.8147.5150.8-47.90000120.2
371K40.9Very low37.4Very low198 Ų198144.4 Ų144.486%0.86178%0.776SS**  trans95142.1150.3-123.1174.3-178.1-1800120.1
372M36.4Very low37.3Very low161 Ų161144.5 Ų144.579%0.79378%0.776SS**PPolyproline II helixtrans-67.9150.8-178.9-46.2-76.1-87.200112.5
373P43.3Very low37.2Very low121 Ų121144.7 Ų144.779%0.78678%0.782SS**PPolyproline II helixtrans-78.8118.7155.932.2-29.3000110.1
374I37.9Very low37.1Very low143 Ų143147.1 Ų147.173%0.73378%0.784SS**PPolyproline II helixtrans-99.5124.9158.3-66.8176.3000106.4
375V42.9Very low37.3Very low129 Ų129144.1 Ų144.178%0.78278%0.781SS**  trans-96.2103.5178.9-176.50000109
376N31.6Very low37.1Very low145 Ų145147 Ų14778%0.77578%0.784SS**  trans-109.9131.3163.9-72.6-4.2000108.2
377S40.7Very low37.4Very low114 Ų114142 Ų14280%0.79779%0.785SS**  trans-128.588.2174.958.80000111.1
378E39.1Very low37.6Very low180 Ų180141.7 Ų141.784%0.84178%0.783SS**  trans-48.6157.6147.7-68.1177.8134.900110.8
379T32.9Very low37.6Very low112 Ų112141 Ų14169%0.68778%0.777SS**  cis-165.6148.3-13.8-90.30000106.1
380L37.6Very low37.5Very low168 Ų168144 Ų14488%0.8878%0.782SS**  trans-148.7106.1164.6-158.8154.4000111.7
381E36.4Very low37.7Very low172 Ų172145.4 Ų145.480%0.80479%0.785SS**  trans-109138.2163.7-56.8-175.9151.900107.8
382D38.3Very low37.5Very low137 Ų137144.5 Ų144.573%0.73378%0.783SS**  -179.3132.8124.4-126.7-27.7000114
383T35.8Very low37.7Very low126 Ų126142.8 Ų142.877%0.77378%0.782SS**  trans59.6160.8163.4700000117.2
384I36.9Very low37.4Very low161 Ų161141.9 Ų141.983%0.82678%0.778SS**  cis-132.9154.123-68.1169.4000110.3
385A37.6Very low37.5Very low84 Ų84140.6 Ų140.669%0.69478%0.782SS**  trans-106.4156.4-178.200000114.7
386Q33.5Very low37.4Very low173 Ų173140 Ų14081%0.80878%0.784SS**  trans75.5117.7142-165.6166.71.800120.4
387C36.7Very low37.6Very low134 Ų134136.5 Ų136.591%0.90578%0.781SS**  trans-152.4165.7145.4-152.90000110.2
388D39.3Very low37.8Very low122 Ų122139.7 Ų139.765%0.65279%0.788SS**  trans-111.6132.6-155.6-90.5-83.3000116.3
389K34.7Very low37.9Very low173 Ų173140.6 Ų140.675%0.75279%0.79SS**  59.8148.2121.6-152.9-171.3177.8-175.50122.1
390L37.8Very low38.5Very low140 Ų140140.7 Ų140.773%0.73379%0.792SS**  trans82.9147.1173.6-51178.9000113.4
391D41.7Very low38.5Very low161 Ų161137.5 Ų137.586%0.86178%0.784SS**  cis-121.8177.718.6-87.8-56.1000116.1
392E36Very low38.8Very low178 Ų178134.9 Ų134.983%0.83278%0.779SS**  trans-117.5153.9-179.1-178.8-170.7153.100110.6
393V40.6Very low39.1Very low126 Ų126133.7 Ų133.776%0.76478%0.782SS**  trans173.7139.7140.51460000113.9
394S38.2Very low39.3Very low102 Ų102134.8 Ų134.871%0.71378%0.783SS**  trans66124.6168.8-62.60000118.7
395S39.1Very low39.5Very low116 Ų116132.2 Ų132.281%0.81178%0.775SS**  cis80.3131.547.8-67.80000113.8
396S40.3Very low39.6Very low117 Ų117135.2 Ų135.282%0.81878%0.779SS**  cis-167.1161.24.955.70000114
397G37.1Very low39.7Very low70 Ų70137.7 Ų137.772%0.72278%0.781SS**  trans79.4146.7163.600000116.5
398L44.9Very low39.7Very low181 Ų181137.8 Ų137.895%0.94877%0.772SS**  cis-138.7-178.23.5-75.1170.5000111.5
399K41.1Very low39.8Very low200 Ų200138.3 Ų138.387%0.8778%0.775SS**  trans-149.1173.9-167-95.8-170.9175.8178.20110.5
400P45.5Very low40.1Very low113 Ų113135 Ų13573%0.73477%0.774SS**  cis-142.5-144.1-41.243.1-23.8000111.4
401S38.2Very low40.1Very low101 Ų101134.1 Ų134.171%0.70678%0.777SS**  trans91.5145.1158.8-129.10000116.4
402V41.7Very low39.9Very low117 Ų117131.9 Ų131.971%0.70977%0.774SS**  cis-145.5146.913.2-149.80000112.5
403S44Very low39.9Very low112 Ų112135.4 Ų135.478%0.78378%0.779SS**  trans60.2160.2147.355.70000123.1
404N40.2Very low39.5Very low150 Ų150132.8 Ų132.880%0.80278%0.777SS**  cis-173.4155.8-34.2-166.720.1000111.3
405V42.6Very low39.3Very low107 Ų107136.5 Ų136.565%0.64879%0.788SS**  trans106.3131.7153.1-1720000119.4
406N38.3Very low38.8Very low146 Ų146140.1 Ų140.178%0.78179%0.792SS**  trans19.8132.5162.8-63.14.2000120.7
407R34.9Very low38.6Very low225 Ų225142.3 Ų142.385%0.84979%0.794SS**  cis80.3134.216.9-136.6-176.7-155.6-164.24.4116.8
408N38.6Very low38.3Very low137 Ų137145.7 Ų145.773%0.73380%0.796SS**  trans78141-179.1-58.335.6000114.5
409D40.4Very low37.9Very low133 Ų133143.2 Ų143.271%0.71179%0.788SS**  cis-147.1-169.14.2-135.1-59.8000114.3
410S40.3Very low37.6Very low104 Ų104139 Ų13973%0.72778%0.78SS**  trans-75.7162-155.1-56.20000118.4
411P39Very low37Very low121 Ų121137.8 Ų137.879%0.78679%0.787SS**  trans-100.9172.1-168.140.2-37.7000116.1
412S37.5Very low36.9Very low114 Ų114139.2 Ų139.280%0.79779%0.787SS**  trans-156.8125.8161.4-840000114.8
413R35.6Very low36.6Very low252 Ų252142.2 Ų142.295%0.95179%0.793SS**  trans19.6129.7148.9-65.4177.3163.5128.4-3.4120.1
414G32.4Very low36.1Very low70 Ų70141.8 Ų141.872%0.72279%0.79SS**  trans164.393.6146.300000117.9
415L33.8Very low35.8Very low180 Ų180138.3 Ų138.394%0.94279%0.79SS**  trans61.9137147.7-54.6175.8000120.6
416E28.8Very low35.5Very low193 Ų193141.8 Ų141.890%0.90280%0.804SS**  trans-56.6150.1160.6-74.1149.968.300112.3
417L35.1Very low35.4Very low163 Ų163139.3 Ų139.385%0.85380%0.804SS**  trans-143.9127.8143.6-170.762.7000109.1
418D31.6Very low35.5Very low141 Ų141132.1 Ų132.175%0.75480%0.799SS**  trans-72.8147.3175.2-156.9-8.6000110.3
419T37.1Very low35.6Very low128 Ų128130.2 Ų130.279%0.78580%0.795SS**  trans-118.887.6-178.556.50000111.4G421T419-G421 PolarHBondContact O-N 3.27Å
420T33.8Very low35.9Very low113 Ų113130.3 Ų130.369%0.69379%0.792SS**  trans-65.4123.1167.347.60000110.5D422T420-D422 PolarHBondContact O-N 2.85Å
421G33.4Very low35.9Very low87 Ų87131.7 Ų131.790%0.89780%0.795SS**  trans-88.285.7175.300000111.5T419T419-G421 PolarHBondContact O-N 3.27Å
422D35Very low36.4Very low131 Ų131129.2 Ų129.270%0.70178%0.775SS**  trans-80.4154177.6-81.4-51.6000113.7T420T420-D422 PolarHBondContact O-N 2.85Å
423E36.1Very low37.6Very low179 Ų179132.3 Ų132.384%0.83677%0.769SS**  trans63.9139.2160.7-66.6-81.672.300117.6
424S34.4Very low38.3Very low104 Ų104124.7 Ų124.773%0.72775%0.753SS**  cis-158.8148.51.646.10000109.3
425G33.7Very low39.4Very low76 Ų76125.7 Ų125.778%0.78474%0.741SS**  trans-167.861.6-168.100000118.3
426L36.2Very low40.4Very low181 Ų181119.3 Ų119.395%0.94872%0.718SS**  trans50.373.6163.1-73.4168000116.7G428L426-G428 VanDerWaalsContact C-N 3.3Å; L426-G428 PolarHBondContact O-N 3.42Å
427A36.1Very low41.7Very low94 Ų94114.8 Ų114.878%0.77770%0.697SS**  trans-69.178.7168.800000112.7C429A427-C429 PolarHBondContact O-N 3.35Å
428G36.3Very low42.8Very low74 Ų74110.1 Ų110.176%0.76367%0.672SS**  trans-7453.9173.900000113.8L426 Q430L426-G428 VanDerWaalsContact C-N 3.3Å; L426-G428 PolarHBondContact O-N 3.42Å; G428-Q430 PolarHBondContact O-N 2.78Å
429C40.3Very low44.3Very low96 Ų96109.3 Ų109.365%0.64966%0.664SS**  trans-72.281.6-172.9-67.70000113.2A427 V431A427-C429 PolarHBondContact O-N 3.35Å; C429-V431 PolarHBondContact O-N 2.95Å; C429-V431 VanDerWaalsContact O-N 3.16Å
430Q47.5Very low45.3Very low136 Ų136105.6 Ų105.664%0.63665%0.647SS**  trans-67110.2161.4-68.5-160.577.300109.3G428 L432G428-Q430 PolarHBondContact O-N 2.78Å; Q430-L432 PolarHBondContact O-N 3.19Å; Q430-L432 VanDerWaalsContact O-N 3.14Å
431V39.9Very low46.6Very low132 Ų132104.5 Ų104.580%0.863%0.632SS**  trans-68.1109.9175.1177.70000108.6C429 R433C429-V431 PolarHBondContact O-N 2.95Å; C429-V431 VanDerWaalsContact O-N 3.16Å; V431-R433 PolarHBondContact O-N 3.49Å; V431-R433 VanDerWaalsContact O-N 3.15Å
432L51Low48.2Very low70 Ų70103.6 Ų103.637%0.36661%0.609SS.*  trans-61.4114.7173.4-86.6148.1000109.8H118 Q430H118-L432 WeakPolarHBondContact NE2-CD1 3.46Å; Q430-L432 PolarHBondContact O-N 3.19Å; Q430-L432 VanDerWaalsContact O-N 3.14Å
433R61.2Low49.7Very low178 Ų178103.8 Ų103.867%0.67261%0.606SS**  trans-58.8136.9177.6-71-174.9176141.11.1110.4V431 Q437V431-R433 PolarHBondContact O-N 3.49Å; V431-R433 VanDerWaalsContact O-N 3.15Å; R433-Q437 HydrophobicContact CB-CB 4.09Å; R433-Q437 VanDerWaalsContact CB-OE1 3.3Å; R433-Q437 VanDerWaalsContact CG-OE1 3.22Å
434P49.9Very low51.1Low93 Ų9399.4 Ų99.460%0.60459%0.588SS**  trans-54.6145.1173.8-25.734.8000111.4G436 Q437P434-G436 PolarHBondContact O-N 3.13Å; P434-Q437 WeakPolarHBondContact O-CB 3.47Å; P434-Q437 PolarHBondContact O-N 2.87Å
435I57.1Low52.4Low91 Ų9197.3 Ų97.347%0.46757%0.569SS.*THydrogen-bonded Turntrans-52.6-36.9-166.1-66.6171.3000113.4Q437 L438I435-Q437 VanDerWaalsContact C-N 3.28Å; I435-Q437 PolarHBondContact O-N 3.28Å; I435-L438 WeakPolarHBondContact O-CB 3.37Å; I435-L438 PolarHBondContact O-N 2.88Å; I435-L438 VanDerWaalsContact O-N 3.07Å
436G53.7Low53.4Low45 Ų4599.2 Ų99.246%0.46456%0.561SS.*Hα-helixtrans-64.7-21.8177.300000115.4P434 L438 E439 A440P434-G436 PolarHBondContact O-N 3.13Å; G436-L438 PolarHBondContact O-N 2.84Å; G436-E439 PolarHBondContact O-N 3.38Å; G436-A440 PolarHBondContact O-N 3.16Å
437Q56.4Low54.2Low99 Ų9993.3 Ų93.346%0.46353%0.534SS..Hα-helixtrans-72.1-16.1173.3-73.3-171-18.200112.9R433 P434 I435 F441R433-Q437 HydrophobicContact CB-CB 4.09Å; R433-Q437 VanDerWaalsContact CB-OE1 3.3Å; R433-Q437 VanDerWaalsContact CG-OE1 3.22Å; P434-Q437 WeakPolarHBondContact O-CB 3.47Å; P434-Q437 PolarHBondContact O-N 2.87Å; I435-Q437 VanDerWaalsContact C-N 3.28Å; I435-Q437 PolarHBondContact O-N 3.28Å; Q437-F441 WeakPolarHBondContact O-CB 3.45Å; Q437-F441 PolarHBondContact O-N 2.84Å
438L59Low54.8Low64 Ų6493.6 Ų93.634%0.33552%0.52SS..Hα-helixtrans-72.5-39.7172.5-172.260.8000111.2F103 I435 G436 F441 V442F103-L438 HydrophobicContact CE1-CD1 4.05Å; F103-L438 HydrophobicContact CZ-CD1 4.11Å; I435-L438 WeakPolarHBondContact O-CB 3.37Å; I435-L438 PolarHBondContact O-N 2.88Å; I435-L438 VanDerWaalsContact O-N 3.07Å; G436-L438 PolarHBondContact O-N 2.84Å; L438-F441 PolarHBondContact O-N 2.82Å; L438-V442 WeakPolarHBondContact O-CG2 3.46Å; L438-V442 PolarHBondContact O-N 2.89Å
439E61.7Low55.5Low125 Ų12596.4 Ų96.458%0.58452%0.522SS*.Hα-helixtrans-63.5-46175.2-66.3168.4-169.200110.5G436 F441 V442 Q443G436-E439 PolarHBondContact O-N 3.38Å; E439-F441 PolarHBondContact O-N 3.24Å; E439-V442 PolarHBondContact O-N 3.38Å; E439-Q443 WeakPolarHBondContact O-CG 3.36Å; E439-Q443 PolarHBondContact O-N 3.25Å
440A59.3Low55.8Low50 Ų5096.7 Ų96.741%0.41353%0.525SS..Hα-helixtrans-59.9-41.4173.900000112.8G436 Q443 N444G436-A440 PolarHBondContact O-N 3.16Å; A440-Q443 PolarHBondContact O-N 3.32Å; A440-N444 PolarHBondContact O-N 2.92Å
441F61.4Low55.4Low89 Ų8994.4 Ų94.439%0.3952%0.524SS..Hα-helixtrans-65.5-38.5177.3179.8-112.8000112.9Q437 L438 E439 L445Q437-F441 WeakPolarHBondContact O-CB 3.45Å; Q437-F441 PolarHBondContact O-N 2.84Å; L438-F441 PolarHBondContact O-N 2.82Å; E439-F441 PolarHBondContact O-N 3.24Å; F441-L445 HydrophobicContact CD1-CD1 4.27Å; F441-L445 HydrophobicContact CD2-CD1 4.49Å; F441-L445 HydrophobicContact CE1-CD1 3.77Å; F441-L445 HydrophobicContact CE2-CD1 4.01Å; F441-L445 HydrophobicContact CE2-CG 4.3Å; F441-L445 HydrophobicContact CZ-CD1 3.64Å; F441-L445 HydrophobicContact CZ-CG 4.41Å; F441-L445 WeakPolarHBondContact O-CG 3.32Å; F441-L445 PolarHBondContact O-N 3.2Å
442V66Low55.2Low69 Ų6993.2 Ų93.242%0.41852%0.522SS..Hα-helixtrans-66.6-39.4173.9170.60000111.2L438 E439 N446L438-V442 WeakPolarHBondContact O-CG2 3.46Å; L438-V442 PolarHBondContact O-N 2.89Å; E439-V442 PolarHBondContact O-N 3.38Å; V442-N446 VanDerWaalsContact O-CG 3.31Å; V442-N446 PolarHBondContact O-N 3.14Å; V442-N446 PolarHBondContact O-ND2 3.42Å
443Q67Low54.6Low135 Ų13596.9 Ų96.963%0.63155%0.546SS*.Hα-helixtrans-68.1-45177-70.8173.611.600112.5E439 A440 L445 N446 S447E439-Q443 WeakPolarHBondContact O-CG 3.36Å; E439-Q443 PolarHBondContact O-N 3.25Å; A440-Q443 PolarHBondContact O-N 3.32Å; Q443-L445 PolarHBondContact O-N 2.83Å; Q443-N446 PolarHBondContact O-N 3.04Å; Q443-S447 PolarHBondContact O-N 2.77Å; Q443-S447 VanDerWaalsContact O-N 3.14Å
444N65.5Low53.4Low86 Ų8694.8 Ų94.846%0.4655%0.554SS.*Hα-helixtrans-60.6-47-179.6-119.872.8000111.7A440 N446 S447 E448A440-N444 PolarHBondContact O-N 2.92Å; N444-N446 VanDerWaalsContact C-N 3.29Å; N444-N446 PolarHBondContact O-N 3.5Å; N444-S447 WeakPolarHBondContact O-CA 2.99Å; N444-S447 WeakPolarHBondContact O-CB 3.13Å; N444-S447 PolarHBondContact O-N 3.29Å; N444-S447 PolarHBondContact O-OG 3.09Å; N444-E448 PolarHBondContact ND2-OE1 2.79Å; N444-E448 WeakPolarHBondContact O-CG 3.5Å; N444-E448 PolarHBondContact O-N 2.86Å
445L61.7Low52.9Low61 Ų6195.4 Ų95.432%0.31956%0.56SS.*Hα-helixtrans-60.7-36.3178.6-72176.8000112.9F441 Q443 S447 V449F441-L445 HydrophobicContact CD1-CD1 4.27Å; F441-L445 HydrophobicContact CD2-CD1 4.49Å; F441-L445 HydrophobicContact CE1-CD1 3.77Å; F441-L445 HydrophobicContact CE2-CD1 4.01Å; F441-L445 HydrophobicContact CE2-CG 4.3Å; F441-L445 HydrophobicContact CZ-CD1 3.64Å; F441-L445 HydrophobicContact CZ-CG 4.41Å; F441-L445 WeakPolarHBondContact O-CG 3.32Å; F441-L445 PolarHBondContact O-N 3.2Å; Q443-L445 PolarHBondContact O-N 2.83Å; L445-S447 VanDerWaalsContact C-N 3.3Å; L445-S447 PolarHBondContact O-N 2.69Å; L445-V449 WeakPolarHBondContact O-CG2 3.39Å; L445-V449 PolarHBondContact O-N 3.16Å
446N53.9Low52.1Low115 Ų11597.6 Ų97.662%0.61558%0.578SS**Hα-helixtrans-68.6-29175.1-69.7-11.2000112.4V442 Q443 N444 S450V442-N446 VanDerWaalsContact O-CG 3.31Å; V442-N446 PolarHBondContact O-N 3.14Å; V442-N446 PolarHBondContact O-ND2 3.42Å; Q443-N446 PolarHBondContact O-N 3.04Å; N444-N446 VanDerWaalsContact C-N 3.29Å; N444-N446 PolarHBondContact O-N 3.5Å; N446-S450 PolarHBondContact O-OG 3.2Å
447S52.6Low51.2Low57 Ų57100.8 Ų100.840%0.39959%0.59SS.*Hα-helixtrans-79.8-37.8176.376.70000113.8Q443 N444 L445 V449 S450 S451Q443-S447 PolarHBondContact O-N 2.77Å; Q443-S447 VanDerWaalsContact O-N 3.14Å; N444-S447 WeakPolarHBondContact O-CA 2.99Å; N444-S447 WeakPolarHBondContact O-CB 3.13Å; N444-S447 PolarHBondContact O-N 3.29Å; N444-S447 PolarHBondContact O-OG 3.09Å; L445-S447 VanDerWaalsContact C-N 3.3Å; L445-S447 PolarHBondContact O-N 2.69Å; S447-V449 VanDerWaalsContact C-N 3.33Å; S447-V449 PolarHBondContact O-N 3.14Å; S447-S450 WeakPolarHBondContact O-CB 3.47Å; S447-S450 PolarHBondContact O-N 2.94Å; S447-S451 PolarHBondContact O-OG 2.68Å; S447-S451 VanDerWaalsContact O-OG 3.04Å
448E48.6Very low50.3Low101 Ų101104.1 Ų104.147%0.47261%0.61SS.*Hα-helixtrans-68.1-31.9-176.8-74.2167.4-163.100112.1N444 S450N444-E448 PolarHBondContact ND2-OE1 2.79Å; N444-E448 WeakPolarHBondContact O-CG 3.5Å; N444-E448 PolarHBondContact O-N 2.86Å; E448-S450 PolarHBondContact O-N 3.15Å
449V51.2Low49.5Very low133 Ų133109.4 Ų109.481%0.80663%0.633SS**THydrogen-bonded Turntrans-69.2-21.5172.8176.50000112.5L445 S447L445-V449 WeakPolarHBondContact O-CG2 3.39Å; L445-V449 PolarHBondContact O-N 3.16Å; S447-V449 VanDerWaalsContact C-N 3.33Å; S447-V449 PolarHBondContact O-N 3.14Å
450S47.1Very low48.4Very low102 Ų102109.4 Ų109.471%0.71365%0.646SS**THydrogen-bonded Turntrans-93.1-3.8-173.7-66.40000114.9N446 S447 E448N446-S450 PolarHBondContact O-OG 3.2Å; S447-S450 WeakPolarHBondContact O-CB 3.47Å; S447-S450 PolarHBondContact O-N 2.94Å; E448-S450 PolarHBondContact O-N 3.15Å
451S39.1Very low47.4Very low87 Ų87110.6 Ų110.661%0.60866%0.664SS**SBendtrans-147.245.2-16457.30000115.8S447S447-S451 PolarHBondContact O-OG 2.68Å; S447-S451 VanDerWaalsContact O-OG 3.04Å
452S36.9Very low46.1Very low108 Ų108112.2 Ų112.276%0.75569%0.686SS**  trans-145.666.2176.4-80.80000115.3
453V36.8Very low45.2Very low146 Ų146115.2 Ų115.289%0.88571%0.707SS**  trans-129.8101.5160.1-1770000109.2
454T37.1Very low43.8Very low135 Ų135118 Ų11883%0.82872%0.717SS**  trans-124.6119.5169-60.10000108.5
455S38.9Very low42.8Very low106 Ų106119 Ų11974%0.74173%0.731SS**  trans-84.8145.5-176.246.80000112.2
456V41.1Very low41.8Very low137 Ų137122.2 Ų122.283%0.8375%0.753SS**  trans-131.5104.9173.3-175.90000109.6
457P33.6Very low41.5Very low112 Ų112122.7 Ų122.773%0.72777%0.765SS**  trans-104.4128.8175.635-28000112.5
458L38.7Very low40.7Very low168 Ų168127 Ų12788%0.8878%0.784SS**  trans-165.8103.3162.6-101.5167.2000107.3
459H41.1Very low40.7Very low175 Ų175128.1 Ų128.181%0.8180%0.8SS**  80.8129.562.8-124.3-105.9000116.1
460S39.5Very low40Very low125 Ų125126.4 Ų126.487%0.87479%0.794SS**  trans68.4144.2178.775.40000118
461G38.9Very low39.8Very low76 Ų76125.5 Ų125.578%0.78479%0.792SS**  cis-178.3155.9-7.800000113.3
462S33.4Very low39.8Very low122 Ų122130.1 Ų130.185%0.85380%0.804SS**  trans-110.2154.1-177.2-45.50000113.5
463P47.1Very low39.9Very low132 Ų132133.3 Ų133.386%0.85781%0.812SS**  trans-123.8177.8142.636.5-26.9000112.7
464K37Very low39.8Very low195 Ų195132 Ų13285%0.84881%0.809SS**  trans-147.4124.6-160.3176.3-179.5179.1177.20112.8
465S44.7Very low39.8Very low107 Ų107130.9 Ų130.975%0.74881%0.805SS**  trans-161.7104.5170.253.50000110
466T39.8Very low39.9Very low128 Ų128132.2 Ų132.279%0.78581%0.809SS**  74.585.674.362.80000116.2
467S47.8Very low40Very low124 Ų124130.3 Ų130.387%0.86780%0.802SS**  trans-168.1122.214256.80000112.3
468D36.8Very low40.3Very low148 Ų148130.2 Ų130.279%0.79180%0.804SS**  trans-69.5168.2163.8-96-61.7000111.5
469P47.7Very low40.4Very low124 Ų124129.6 Ų129.681%0.80580%0.798SS**  cis-144.2179.336.442.3-21.7000119.4
470S37.6Very low40.5Very low98 Ų98129.7 Ų129.769%0.68580%0.799SS**  trans-63.6148.5-173.5-43.90000118.6
471A41.6Very low40.7Very low82 Ų82131 Ų13168%0.67880%0.796SS**  trans68.2162.5150.800000116.8
472H39.5Very low41.3Very low184 Ų184131.6 Ų131.685%0.85279%0.786SS**  cis-138.1179.918.6-50.6-100.6000113.5
473L38.5Very low41.4Very low176 Ų176132.6 Ų132.692%0.92178%0.782SS**  trans-50161.3-168.7-66.7162.7000118.9
474S35.9Very low41.1Very low119 Ų119135.6 Ų135.683%0.83278%0.784SS**  trans-78.5162.7-174.652.70000116.5
475C37.6Very low41.3Very low110 Ų110135.7 Ų135.774%0.74379%0.788SS**  trans-157.1131.5171.2-146.50000113.7
476V40.6Very low40.9Very low134 Ų134134.4 Ų134.481%0.81279%0.792SS**  trans51.1173.9158.5-600000118.6
477S41.7Very low40.7Very low98 Ų98133.5 Ų133.569%0.68579%0.79SS**  cis-151.9141.9-3.84.40000107.3
478S39.9Very low40.3Very low110 Ų110134.7 Ų134.777%0.76979%0.786SS**  66115.277.4-68.20000118.1
479M42.2Very low40.3Very low155 Ų155133.5 Ų133.576%0.76478%0.783SS**  trans89.6143.6136.2-71.7-178.165.400124.1
480E42.9Very low39.8Very low176 Ų176132.4 Ų132.482%0.82278%0.779SS**  trans94.1151.8147.8-79.2162.8159.500123.1
481D42.8Very low39.8Very low153 Ų153132.2 Ų132.282%0.81878%0.777SS**  trans-146.1178.4-157.2-120.1-35.3000106.9
482P51.8Low39.7Very low89 Ų89135.4 Ų135.458%0.57878%0.783SS**  cis-133.6-171.4-27.139.9-23.5000112.7
483N36Very low39.7Very low143 Ų143131.7 Ų131.777%0.76578%0.778SS**  trans60.1124.8155.6-71.7-41.4000120.7
484H41.8Very low39.7Very low194 Ų194131 Ų13190%0.89877%0.774SS**  -167.3170.7117.3-10664.1000112
485Q39.8Very low39.8Very low198 Ų198132.6 Ų132.693%0.92577%0.773SS**  trans-84151.7-171.3-60.7167-400113.5
486G37.7Very low40.2Very low80 Ų80133.2 Ų133.283%0.82578%0.775SS**  trans179.2120.9167.500000114
487S34.6Very low40.2Very low109 Ų109132.3 Ų132.376%0.76277%0.77SS**  trans-94.9139.6171.7177.90000110.2
488I40Very low40.2Very low149 Ų149136.1 Ų136.176%0.76478%0.781SS**  177.1127.2121.347.9-168.4000113.9
489T35.6Very low40.2Very low122 Ų122138 Ų13875%0.74878%0.782SS**  trans36.9134.414067.70000123.6
490S38.2Very low40Very low101 Ų101134.3 Ų134.371%0.70678%0.783SS**  trans119.4100.8130.7-63.60000120.7
491S37.3Very low39.8Very low94 Ų94131.7 Ų131.766%0.65778%0.779SS**  76.2146.8128.970.70000122.7
492N39.8Very low39.6Very low150 Ų150136.2 Ų136.280%0.80278%0.784SS**  trans68.2139.4167.2-47.2-35.1000114.2
493S39.7Very low39Very low105 Ų105143.4 Ų143.473%0.73480%0.8SS**  cis171.21625.643.20000104.3
494L38.7Very low39.3Very low162 Ų162142.2 Ų142.285%0.84880%0.8SS**  cis-158.8153.50.6-118.8163.5000105.9
495L36.6Very low39.4Very low153 Ų153144.4 Ų144.480%0.80180%0.801SS**PPolyproline II helixtrans-98.4141.7174.4-73.2172.9000111.6
496P47.5Very low40.1Very low123 Ų123140.4 Ų140.480%0.79979%0.794SS**PPolyproline II helixtrans-80.7123.6169.332-31.4000110.9
497V39.6Very low40.4Very low115 Ų115143 Ų14370%0.69780%0.797SS**PPolyproline II helixtrans-101.5130.3168.6172.40000108.6I499V497-I499 HydrophobicContact CG1-CD1 4.01Å; V497-I499 HydrophobicContact CG1-CG1 3.94Å
498L42.7Very low41Very low177 Ų177140.9 Ų140.993%0.92779%0.792SS**PPolyproline II helixtrans-95.3117.2170.5-72.7173000110
499I39.1Very low41.6Very low151 Ų151141.9 Ų141.977%0.77480%0.795SS**  trans-113.9121.9174.6-77.7159.5000109.3V497V497-I499 HydrophobicContact CG1-CD1 4.01Å; V497-I499 HydrophobicContact CG1-CG1 3.94Å
500G38.9Very low41.8Very low77 Ų77142.1 Ų142.179%0.79479%0.792SS**  trans-9688177.500000113
501V38.5Very low41.9Very low121 Ų121142.1 Ų142.173%0.73379%0.792SS**  trans20.2115.4155.2-172.10000118.7
502R37.1Very low42Very low247 Ų247143.5 Ų143.593%0.93280%0.801SS**  trans-109.5152.2145.5-80.2-178.5169162-4.7109.4
503R40.8Very low42Very low241 Ų241139.5 Ų139.591%0.90980%0.796SS**  trans-95.7148.5177.8-75.5-177177.6157.30.2112
504P42.4Very low42.1Very low118 Ų118139.5 Ų139.577%0.76680%0.796SS**  trans-118.4163.6-173.842.2-33.7000115.8
505R43.3Very low42.2Very low240 Ų240138.8 Ų138.891%0.90679%0.793SS**  trans177159.3150.5-100.1163-179.5169.1-0.7108.1
506S53.2Low42.5Very low113 Ų113139.3 Ų139.379%0.7980%0.796SS**  cis-170.8155.2-44.4-930000107.5
507P45.9Very low42.2Very low135 Ų135140 Ų14088%0.87779%0.793SS**  trans-119.5171.8-155.342.1-32.9000118.2
508G45.5Very low42.2Very low64 Ų64139.7 Ų139.766%0.6679%0.791SS**  trans-161.3131.3160.300000109.1
509M53.3Low42Very low171 Ų171136.3 Ų136.384%0.84278%0.782SS**  64.1129.880-64.3179.478.600114.2
510D39.5Very low41.8Very low127 Ų127134.9 Ų134.968%0.67978%0.78SS**  cis-168.8163.3-4.8-106-17.8000112.6
511S40.2Very low41.8Very low101 Ų101136 Ų13671%0.70678%0.776SS**  trans71.898.4149.7-60.60000124.7
512S40.1Very low41.9Very low122 Ų122140 Ų14085%0.85378%0.783SS**  65.9133.2115.2700000125.4
513G38.8Very low41.9Very low66 Ų66131.7 Ų131.768%0.6878%0.775SS**  trans139.2103.6150.100000114.6
514S43.2Very low41.9Very low106 Ų106125.1 Ų125.174%0.74177%0.772SS**  59.8130.479.471.50000115.2
515D39.4Very low41.9Very low147 Ų147127.4 Ų127.479%0.78678%0.778SS**  cis-169.9176.2-6.5-100.7-43.5000109.1
516L44Very low42Very low164 Ų164124 Ų12486%0.85978%0.776SS**  trans76.8159.4164.5-51.9172.8000119.4
517N40.5Very low41.5Very low137 Ų137124.5 Ų124.573%0.73378%0.78SS**  cis-170.3165.9-42.8-156.3-9.7000110.3
518V39.2Very low41.3Very low108 Ų108127.2 Ų127.266%0.65578%0.781SS**  trans69.196.6160.8-170.10000119.9
519S38.9Very low41.4Very low106 Ų106129 Ų12974%0.74178%0.784SS**  22138.7123.5-40.80000122.2
520T36.1Very low41Very low121 Ų121125 Ų12574%0.74277%0.77SS**  162.4108.9100.1-62.30000116
521S39.1Very low41.1Very low100 Ų100124.1 Ų124.170%0.69978%0.781SS**  trans68.9146.8145.485.80000124.9
522K40.4Very low41.6Very low206 Ų206126.6 Ų126.690%0.89678%0.779SS**  trans76.9141.7147.8-81.3-179173.2-179.70121.1
523G36.5Very low41.8Very low73 Ų73129 Ų12975%0.75377%0.769SS**  trans91.796.5-176.200000110.2
524A40.5Very low42.1Very low103 Ų103138.4 Ų138.485%0.85178%0.784SS**  cis69.19345.600000113.5
525D42.4Very low42.1Very low166 Ų166143 Ų14389%0.88879%0.785SS**  trans-154.7167.2138.4-135.6-31.3000111.4
526L45.5Very low42.4Very low167 Ų167143.3 Ų143.387%0.87479%0.786SS**  trans-111.1130.6-175.9-69.6166.7000111.9
527S42Very low42.8Very low124 Ų124141.3 Ų141.387%0.86778%0.783SS**  trans-150.6100.4165.765.30000113.1
528E42.4Very low42.7Very low192 Ų192139.8 Ų139.890%0.89778%0.783SS**  trans-82.9127171.4177-155.9141.100111
529S47.3Very low43.4Very low103 Ų103140.6 Ų140.672%0.7279%0.793SS**  trans175.7162.3159.6-94.60000113
530P45.9Very low43.4Very low86 Ų86142.9 Ų142.956%0.55880%0.797SS**  cis-143.7146.6-49.536.8-18.6000114K532P530-K532 HydrophobicContact CB-CD 4.47Å; P530-K532 HydrophobicContact CG-CD 4.26Å; P530-K532 PolarHBondContact O-N 3.1Å
531A40.6Very low44.1Very low108 Ų108144.6 Ų144.689%0.89380%0.801SS**  trans-71.5112.7161.800000110.9
532K50.4Low44.2Very low154 Ų154145 Ų14567%0.6780%0.799SS**  trans-149.7157.8175.8-84.4175.6-178.51610111P530P530-K532 HydrophobicContact CB-CD 4.47Å; P530-K532 HydrophobicContact CG-CD 4.26Å; P530-K532 PolarHBondContact O-N 3.1Å
533R45.1Very low44.2Very low172 Ų172143.7 Ų143.765%0.64980%0.797SS**  cis179.5109.9-26170.4-177.4-72.1-174.9-2.5107.2R535R533-R535 HydrophobicContact CG-CB 3.69Å
534R44.1Very low44.4Very low264 Ų264146.4 Ų146.4100%0.99680%0.799SS**  trans-91.6108.2153.6-84.8-175.7119.9107.4-3.8107.6
535R44Very low44.4Very low201 Ų201146.9 Ų146.976%0.75879%0.791SS**  trans-130.4133.2172.9-161.1-178.2-156.1-170.17.2107.3R533R533-R535 HydrophobicContact CG-CB 3.69Å
536L45.8Very low44.3Very low155 Ų155147.1 Ų147.181%0.81279%0.787SS**  trans-66.8150.8174.1-61.5171.9000109.9
537P53Low43.9Very low122 Ų122144 Ų14479%0.79278%0.778SS**  trans-73.1138.3169.331.2-32.9000110.2
538S37.3Very low43.8Very low105 Ų105142.9 Ų142.973%0.73477%0.771SS**  trans-124144.3166.1-56.30000107.5
539S55Low44Very low124 Ų124139.4 Ų139.487%0.86776%0.763SS**  trans-121.8104.4176.8-60.80000108.5
540D39.1Very low43.6Very low154 Ų154141.8 Ų141.882%0.82477%0.768SS**  trans-75.2146.9175-62.1-60.3000111.1
541L49.7Very low43.3Very low158 Ų158143.3 Ų143.383%0.82778%0.78SS**  trans-154.2100.9149.2-103.9-179.2000111.4
542T41Very low43.3Very low108 Ų108145.8 Ų145.866%0.66378%0.778SS**  trans44.3109.3143.757.90000121
543E40.5Very low42.8Very low179 Ų179144.4 Ų144.484%0.83678%0.782SS**  21.2134.8128.7-57.1176.7106.100121.1
544T39.8Very low42.4Very low130 Ų130139.8 Ų139.880%0.79879%0.788SS**  -171.3108.1115.1-70.80000112.6
545V42.4Very low42.3Very low113 Ų113134.1 Ų134.169%0.68578%0.776SS**  trans39.2127.1132.7-168.30000122.5
546E39.7Very low42Very low171 Ų171130 Ų13080%0.79978%0.778SS**  trans79.7107.9150.2-78.4166.2-151.400125.1
547S37.4Very low41.6Very low100 Ų100131.1 Ų131.170%0.69978%0.777SS**  trans16.1133.5132.856.50000123.1
548S40.3Very low40.9Very low102 Ų102133.4 Ų133.471%0.71378%0.777SS**  -176.6150102.6-790000115.4
549T45.2Very low41Very low118 Ų118134.9 Ų134.972%0.72478%0.775SS**  trans51.2119.7152.154.30000122.3
550D39.4Very low40Very low154 Ų154134.4 Ų134.482%0.82477%0.767SS**  trans44.3114.3130.7-53.2-56.3000121.4
551S39.4Very low40.1Very low118 Ų118133.1 Ų133.183%0.82577%0.765SS**  179.6137.598.8-176.50000113.5
552L40.2Very low39.5Very low160 Ų160130.5 Ų130.584%0.83876%0.759SS**  trans-37128.4164.9-177.877.3000115.9
553V41.2Very low39.4Very low124 Ų124130.8 Ų130.875%0.75277%0.766SS**  -173.4135.9124.51450000108.6
554G36.8Very low39.5Very low76 Ų76127.5 Ų127.578%0.78476%0.763SS**  trans-81.1143.5-174.200000114.3
555I41.9Very low39.6Very low144 Ų144130 Ų13074%0.73877%0.77SS**  trans-137.3130.9168.6-35.3176.9000108.4
556S37.2Very low39.6Very low116 Ų116129.3 Ų129.381%0.81178%0.777SS**  trans-81.3124.3178.2-171.90000110.9Q558S556-Q558 PolarHBondContact O-N 3.04Å
557F37.6Very low39.8Very low177 Ų177128.9 Ų128.978%0.77678%0.779SS**  trans-90.3100.3176.9-88.2-90.2000111.4
558Q38.4Very low40.6Very low171 Ų171131.2 Ų131.280%0.79978%0.784SS**  trans-84.2124.2149-76.6-160.5-200109.1S556S556-Q558 PolarHBondContact O-N 3.04Å
559I38.3Very low40.9Very low136 Ų136134.3 Ų134.370%0.69779%0.792SS**  trans-98.497.1171.1-60.8178.7000108.1T561I559-T561 HydrophobicContact CG2-CG2 4Å
560V34.3Very low41.4Very low114 Ų114134 Ų13469%0.69180%0.795SS**  trans-92.8117.1161.5179.90000107.3
561T40.2Very low42.7Very low127 Ų127132.2 Ų132.278%0.77979%0.791SS**  trans-126.1138.8167.250.10000109.3I559I559-T561 HydrophobicContact CG2-CG2 4Å
562S37.1Very low44Very low102 Ų102132.3 Ų132.371%0.71379%0.789SS**  trans-117.7133.5-165.7-51.80000111.2
563S40.1Very low44.9Very low115 Ų115132 Ų13280%0.80479%0.787SS**  trans177116145.5-790000107.7
564S41.5Very low45.9Very low110 Ų110133 Ų13377%0.76979%0.786SS**  72.575.463.8-60.40000114.2
565L43.8Very low47.1Very low182 Ų182136.7 Ų136.795%0.95379%0.785SS**  trans-135.3133.5131.7-74.4-177.1000107.4
566A41.2Very low47.9Very low99 Ų99135.1 Ų135.182%0.81879%0.786SS**  trans-135.3135.3-176.500000110.3
567L43.5Very low48.5Very low162 Ų162135.8 Ų135.885%0.84878%0.78SS**  trans-155.8155.5161-98.6-179.9000109.1
568N54.9Low49Very low149 Ų149133.4 Ų133.480%0.79778%0.783SS**SBendtrans77.3129.9175.4-50.7-13.9000116
569D46.9Very low49.4Very low167 Ų167130.9 Ų130.989%0.89378%0.779SS**  trans-71.8129-168.6-66.7-85.9000115
570S54.8Low49.4Very low112 Ų112132.3 Ų132.378%0.78379%0.788SS**  trans-156.1135.7154.5-80.80000110.7
571P68.1Low49.8Very low115 Ų115135.3 Ų135.375%0.74779%0.794SS**PPolyproline II helixtrans-70.6144.9178.229.6-34.5000111.3I573P571-I573 PolarHBondContact O-N 3.05Å
572P65.9Low49.7Very low120 Ų120135 Ų13578%0.77979%0.793SS**PPolyproline II helixtrans-69.7125.7-17727.7-34.3000111.9I574P572-I574 PolarHBondContact O-N 3.38Å
573I59.1Low49.9Very low153 Ų153140.6 Ų140.679%0.78580%0.798SS**PPolyproline II helixtrans-73.4117.7172.6-61175.5000108.8P571 M575P571-I573 PolarHBondContact O-N 3.05Å; I573-M575 PolarHBondContact O-N 3.43Å
574I62.1Low50.2Low146 Ų146141.9 Ų141.975%0.74980%0.796SS**  trans-78101.1176.1-56.2177.9000109P572 C576P572-I574 PolarHBondContact O-N 3.38Å; I574-C576 PolarHBondContact O-N 3.47Å
575M62.3Low50.2Low153 Ų153144.9 Ų144.975%0.75480%0.8SS**  trans-83.791176-165.582.476.600110.5I573 N577I573-M575 PolarHBondContact O-N 3.43Å; M575-N577 PolarHBondContact O-N 3.33Å
576C58.6Low50Low112 Ų112143.7 Ų143.776%0.75779%0.794SS**  trans-74.591.8176.7-67.60000111.9I574I574-C576 PolarHBondContact O-N 3.47Å
577N49.3Very low50Low130 Ų130143.7 Ų143.770%0.69579%0.789SS**  trans-70.8132.1165.9-79.4-14.1000110.5M575 T579M575-N577 PolarHBondContact O-N 3.33Å; N577-T579 PolarHBondContact O-N 3.47Å; N577-T579 VanDerWaalsContact O-N 3.07Å
578P49.4Very low49.9Very low127 Ų127139.9 Ų139.983%0.82579%0.789SS**  trans-79.689.1178.631.6-34.2000111.3N580P578-N580 PolarHBondContact O-N 3.42Å
579T46.5Very low49.1Very low117 Ų117141.6 Ų141.672%0.71879%0.792SS**  trans-78.6109.3175.7-48.10000110.9N577 Q581N577-T579 PolarHBondContact O-N 3.47Å; N577-T579 VanDerWaalsContact O-N 3.07Å; T579-Q581 PolarHBondContact O-N 2.96Å; T579-Q581 VanDerWaalsContact O-N 3.12Å
580N37.9Very low48.6Very low166 Ų166139.4 Ų139.489%0.88879%0.788SS**  trans-67.6102.8164.5-86.6-44.6000109.8P578P578-N580 PolarHBondContact O-N 3.42Å
581Q42.6Very low47.7Very low177 Ų177138 Ų13883%0.82777%0.771SS**  trans-146.4150.9161.4-147.6156.539.600113.1T579T579-Q581 PolarHBondContact O-N 2.96Å; T579-Q581 VanDerWaalsContact O-N 3.12Å
582T37.8Very low46.1Very low122 Ų122140.8 Ų140.875%0.74877%0.772SS**  trans-93.7172.3-161.644.70000114
583R42.6Very low44.6Very low218 Ų218140.5 Ų140.582%0.82376%0.76SS**  trans93.8108.4163.2-49.6-177.7104.6111.85.3116.9
584D45.3Very low43.5Very low143 Ų143137 Ų13777%0.76575%0.754SS**  161.5111.9115.2-79.1-22000107.9
585M41.4Very low42.1Very low173 Ų173135.4 Ų135.485%0.85276%0.756SS**  76.688.863.4-67.9-75.497.200114.4
586D40.6Very low40.9Very low156 Ų156137.4 Ų137.483%0.83476%0.763SS**  -160.6160.3127.7-154.4-3.1000111.2
587S41.3Very low39.7Very low100 Ų100139.1 Ų139.170%0.69977%0.765SS**  trans24.6123.1165.265.50000119.3
588G39.8Very low39.2Very low82 Ų82139.1 Ų139.185%0.84578%0.775SS**  cis104.913949.500000108.9
589E39.6Very low38.6Very low185 Ų185138.5 Ų138.586%0.86477%0.774SS**  cis-150.1159.712.5-170172.8-171.100109.2
590C35.9Very low38.2Very low120 Ų120138.8 Ų138.881%0.81178%0.781SS**  trans-89.9-168.1-175.5-62.90000113
591I36.2Very low38.2Very low83 Ų83133.7 Ų133.743%0.42677%0.767SS.*  trans175.6153.1133.8-89.7172.3000110.7Q310 V311 N312Q310-I591 HydrophobicContact CG-CG2 4.27Å; V311-I591 HydrophobicContact CG1-CD1 4.05Å; V311-I591 HydrophobicContact CG1-CG2 3.93Å; N312-I591 WeakPolarHBondContact OD1-CG1 3.48Å; N312-I591 VanDerWaalsContact OD1-CG2 3.29Å; N312-I591 WeakPolarHBondContact OD1-CG2 3.33Å
592F34.2Very low37.9Very low174 Ų174134.1 Ų134.176%0.76377%0.769SS**  trans-136-163.1-165-148.3-102.9000113N312N312-F592 PolarHBondContact N-O 3.46Å
593E34.8Very low38Very low114 Ų114132.6 Ų132.653%0.53376%0.764SS.*  trans82.6152.5167.6-55.2-9893.100116.5S313S313-E593 PolarHBondContact N-OE2 3.27Å
594A34.5Very low37.9Very low80 Ų80128.2 Ų128.266%0.66176%0.76SS**  cis-157.2141.6-10.400000108.2
595S34.1Very low37.8Very low112 Ų112126.6 Ų126.678%0.78376%0.755SS**  67.712379.3-162.10000116.9
596E37.3Very low37.7Very low194 Ų194125.2 Ų125.291%0.90775%0.752SS**  trans-158.3154.9149.4-130.2177.8-163.500113.2
597N32.9Very low37.9Very low148 Ų148123.3 Ų123.379%0.79175%0.748SS**  trans-113.8161.7-170-85.7-49.4000113.4
598S38.7Very low37.7Very low131 Ų131126.5 Ų126.592%0.91676%0.755SS**  trans-161.5162.3148.3-89.40000112.9
599S35.9Very low37.5Very low114 Ų114127.5 Ų127.580%0.79775%0.749SS**  trans-136.3-177.2-153.662.10000116.1
600S38.9Very low37.3Very low123 Ų123123 Ų12386%0.8674%0.744SS**  trans81.3146.8169.577.70000117.8
601G38.7Very low37.4Very low58 Ų58122.4 Ų122.460%0.59874%0.741SS**  cis168.3155.3-11.600000114.6
602Q35.4Very low37.5Very low186 Ų186124.4 Ų124.487%0.86975%0.753SS**  trans65.6153.5166.2-94.866.120.700117.5
603S39.1Very low37.5Very low91 Ų91122.1 Ų122.164%0.63675%0.748SS**  cis-168.3156.1-054.10000113.8
604V40.3Very low37.6Very low125 Ų125123.6 Ų123.676%0.75876%0.758SS**  trans69132.1136159.30000118.9
605V43.2Very low37.9Very low109 Ų109124.3 Ų124.366%0.66176%0.758SS**  cis-157.4150.2-6.1-96.20000113
606D39.5Very low38Very low145 Ų145126 Ų12678%0.77576%0.759SS**  trans47.2141.9137.2-51.4-24000125.6
607P45Very low38.1Very low115 Ų115123.9 Ų123.975%0.74775%0.753SS**  trans-102178.5168.141.9-35.6000113.2
608I37.8Very low38.4Very low168 Ų168124.6 Ų124.686%0.86275%0.751SS**  trans-169149.4143.3-104153.5000114.6
609S35.3Very low38.7Very low103 Ų103121.4 Ų121.472%0.7274%0.739SS**  trans-25.1156.6176.4-42.70000124.9
610A35.6Very low38.9Very low90 Ų90121.2 Ų121.274%0.74473%0.733SS**  98.9120.912900000122.3
611S37.4Very low39.2Very low107 Ų107121.3 Ų121.375%0.74873%0.727SS**  93.5136.2129.7-82.40000123.4
612D38.7Very low38.9Very low126 Ų126125 Ų12567%0.67473%0.734SS**  trans74.396141.9-68.2-50.8000122.7
613N35.3Very low39.4Very low125 Ų125123.6 Ų123.667%0.66873%0.73SS**  74.6122114.2-84.9-53.9000122.8
614I36.9Very low39.3Very low146 Ų146123 Ų12375%0.74973%0.727SS**  trans84.8144.1132.4-68.5166.8000120.2
615S40.5Very low39.1Very low95 Ų95125.9 Ų125.966%0.66473%0.729SS**  trans86.787.9156.259.10000122.4
616N35.9Very low39Very low147 Ų147126.6 Ų126.679%0.78674%0.736SS**  78.1153.6106.5-84.5-31.3000124.1
617L39.3Very low38.7Very low150 Ų150127 Ų12779%0.78573%0.733SS**  trans74144.2157.8-97.772.3000117.4
618H40Very low38.5Very low163 Ų163129.9 Ų129.976%0.75574%0.742SS**  cis-160.7160.6-4.9-161.9-134.7000112.4V620H618-V620 WeakPolarHBondContact CE1-CG2 3.24Å
619G43.2Very low38.4Very low64 Ų64126.8 Ų126.866%0.6674%0.736SS**  trans141.585.3170.300000113
620V40.6Very low38.8Very low110 Ų110131.1 Ų131.167%0.66775%0.745SS**  63.9119.169.5-173.10000110.6H618H618-V620 WeakPolarHBondContact CE1-CG2 3.24Å
621V45.4Very low38.9Very low124 Ų124134.5 Ų134.575%0.75275%0.749SS**  cis-131.1152.447.1177.90000113.5I623V621-I623 HydrophobicContact CG1-CG1 4.22Å
622N31.9Very low38.8Very low136 Ų136135.4 Ų135.473%0.72776%0.755SS**  trans-141.4152.8161.8-171.516.2000109.9
623I46.4Very low38.7Very low156 Ų156135 Ų13580%0.876%0.763SS**  trans-140.1141.3175.2-51.6-179.4000109.1V621V621-I623 HydrophobicContact CG1-CG1 4.22Å
624S37.9Very low38.9Very low80 Ų80138.5 Ų138.556%0.55978%0.775SS**  trans-133.5135.6-149-69.90000115.7
625F34.9Very low38.8Very low185 Ų185136.5 Ų136.581%0.81177%0.774SS**  trans62.6175.3140.5-81.4-75.4000117.5
626P41.8Very low39Very low123 Ų123139 Ų13980%0.79979%0.785SS**  cis-127.917715.543.3-26.6000117.9
627Q33.4Very low39.1Very low155 Ų155140.3 Ų140.372%0.72479%0.786SS**  trans-75.9162.7169-59.3170.2-72.900111.9
628N41.3Very low39.1Very low174 Ų174136.9 Ų136.993%0.9379%0.788SS**  trans-152.4153137.1-103.7-21.6000109.6
629S34.8Very low38.9Very low104 Ų104133.2 Ų133.273%0.72778%0.78SS**  trans-113146.9-175-48.80000110.8
630E43.2Very low38.6Very low194 Ų194139 Ų13991%0.90779%0.79SS**  trans-165.5168.7135.8-112.5176.9123.200111.6
631L38.2Very low38.3Very low160 Ų160139.3 Ų139.384%0.83879%0.793SS**  trans-96.4152.7-167.5-51.497.9000113.1
632S35.4Very low37.8Very low126 Ų126139.3 Ų139.388%0.88179%0.793SS**  -173.3151.5122.7-80.50000112.2
633S36.7Very low37.8Very low119 Ų119137.5 Ų137.583%0.83279%0.791SS**  trans-78.5152.1-179.1-39.90000113
634E39.3Very low37.5Very low198 Ų198137 Ų13793%0.92579%0.788SS**  -161.9166.2105.5-156.7149.392.300109.8
635S35.4Very low37.3Very low104 Ų104139.2 Ų139.273%0.72779%0.793SS**  trans-132135.3-158.454.50000114.8
636V44.4Very low37.2Very low148 Ų148138 Ų13890%0.89780%0.795SS**  trans-138.3126.6153.9179.70000107.7
637E38Very low37Very low173 Ų173138.2 Ų138.281%0.80879%0.79SS**  trans-89157.7-180-67.8179.496.900112.5
638G39.8Very low36.9Very low79 Ų79138.6 Ų138.681%0.81480%0.797SS**  trans-155.544.2-179.800000111.4E640G638-E640 PolarHBondContact O-N 2.75Å
639S35.4Very low36.8Very low86 Ų86137.6 Ų137.660%0.60179%0.79SS**  trans-91.185.7-166.6-54.10000112T641S639-T641 VanDerWaalsContact C-N 3.26Å; S639-T641 PolarHBondContact O-N 2.7Å
640E36.2Very low36.6Very low184 Ų184136 Ų13686%0.8679%0.79SS**  trans-80.371.3176.1-163.2167.9-165.100111.6G638 V642G638-E640 PolarHBondContact O-N 2.75Å; E640-V642 PolarHBondContact O-N 2.8Å
641T33.9Very low36.1Very low118 Ų118134.7 Ų134.772%0.72479%0.789SS**  trans-85.797.3175.953.50000110.9S639 S643S639-T641 VanDerWaalsContact C-N 3.26Å; S639-T641 PolarHBondContact O-N 2.7Å; T641-S643 PolarHBondContact O-N 3.48Å; T641-S643 VanDerWaalsContact O-N 3.12Å
642V36.7Very low36Very low124 Ų124131.9 Ų131.975%0.75278%0.782SS**  trans-68.3107.5172.1179.20000109.7E640 I644E640-V642 PolarHBondContact O-N 2.8Å; V642-I644 PolarHBondContact O-N 2.65Å
643S31.6Very low36Very low98 Ų98131.6 Ų131.669%0.68578%0.775SS**  trans-73.9116.4172.7-57.40000110.6T641T641-S643 PolarHBondContact O-N 3.48Å; T641-S643 VanDerWaalsContact O-N 3.12Å
644I38.5Very low36.3Very low146 Ų146130.9 Ų130.975%0.74976%0.761SS**  trans-88.3105.1167.1-57177.1000107.3V642V642-I644 PolarHBondContact O-N 2.65Å
645N34.8Very low36.3Very low125 Ų125126.5 Ų126.567%0.66874%0.744SS**  trans-73.5125.7172.8-73.1-1.7000109.8D647N645-D647 PolarHBondContact O-N 3.19Å
646N32.1Very low37.1Very low160 Ų160124.1 Ų124.186%0.85672%0.723SS**  trans-8163.2176.7-86.9-16.4000111.8N648N646-N648 PolarHBondContact O-N 2.92Å
647D38Very low37.8Very low127 Ų127117.9 Ų117.968%0.67969%0.686SS**  trans-89.777.7175.2-73.9-54.9000111.5N645 I649N645-D647 PolarHBondContact O-N 3.19Å; D647-I649 PolarHBondContact O-N 3.18Å
648N30.9Very low39.3Very low164 Ų164113 Ų11388%0.87767%0.665SS**  trans0.978.4158.5-162.719.1000118.1N646N646-N648 PolarHBondContact O-N 2.92Å
649I39.7Very low41Very low152 Ų152109.2 Ų109.278%0.77963%0.626SS**  trans-122.7132.1164.1-64.6174.6000108.2D647 L651D647-I649 PolarHBondContact O-N 3.18Å; I649-L651 PolarHBondContact O-N 3.36Å
650G29.4Very low43.1Very low71 Ų71107.6 Ų107.673%0.73261%0.611SS**  trans-69.598.4-170.500000113.9S652G650-S652 PolarHBondContact O-N 3.02Å; G650-S652 VanDerWaalsContact O-N 3.07Å
651L33.9Very low45Very low167 Ų167100.9 Ų100.987%0.87458%0.584SS**  trans-71.694.3166.6-68.5174.8000110I649 T653I649-L651 PolarHBondContact O-N 3.36Å; L651-T653 PolarHBondContact O-N 3.28Å; L651-T653 VanDerWaalsContact O-N 3.14Å
652S36Very low46.8Very low101 Ų101101.6 Ų101.671%0.70658%0.579SS**  trans-69.4102.2164.155.60000109G650 I654G650-S652 PolarHBondContact O-N 3.02Å; G650-S652 VanDerWaalsContact O-N 3.07Å; S652-I654 WeakPolarHBondContact O-CG1 3.45Å; S652-I654 PolarHBondContact O-N 3.41Å
653T35.9Very low48.8Very low120 Ų12099.2 Ų99.274%0.73657%0.565SS**  trans-58.5107.6174-51.80000109.6L651 N655L651-T653 PolarHBondContact O-N 3.28Å; L651-T653 VanDerWaalsContact O-N 3.14Å; T653-N655 WeakPolarHBondContact CG2-OD1 3.49Å; T653-N655 PolarHBondContact O-N 2.66Å
654I43Very low50.9Low103 Ų10395 Ų9553%0.52854%0.537SS..  trans-83.694.1173.9-41.6179.8000107.1S652 L656S652-I654 WeakPolarHBondContact O-CG1 3.45Å; S652-I654 PolarHBondContact O-N 3.41Å; I654-L656 HydrophobicContact CB-CG 4.45Å; I654-L656 HydrophobicContact CG2-CD2 3.84Å; I654-L656 HydrophobicContact CG2-CG 3.76Å; I654-L656 PolarHBondContact O-N 3.18Å
655N39.7Very low52.7Low107 Ų10794.2 Ų94.257%0.57253%0.53SS*.  trans-66.987.6165.8-81.656.5000108.4T653 S657 S668T653-N655 WeakPolarHBondContact CG2-OD1 3.49Å; T653-N655 PolarHBondContact O-N 2.66Å; N655-S657 PolarHBondContact O-N 3.23Å; N655-S668 PolarHBondContact ND2-OXT 2.8Å
656L51.9Low54.5Low54 Ų5491.8 Ų91.828%0.28352%0.515SS..  trans-82.396.5168-70.1174.7000107.8I67 I654 N658I67-L656 HydrophobicContact CB-CD2 4.5Å; I67-L656 HydrophobicContact CG2-CD2 3.75Å; I654-L656 HydrophobicContact CB-CG 4.45Å; I654-L656 HydrophobicContact CG2-CD2 3.84Å; I654-L656 HydrophobicContact CG2-CG 3.76Å; I654-L656 PolarHBondContact O-N 3.18Å; L656-N658 PolarHBondContact O-N 2.96Å
657S58.8Low56.1Low17 Ų1789.9 Ų89.912%0.11950%0.501CS..  trans-62.2118.4175.139.70000110.7R88 N655 E666 E667R88-S657 PolarHBondContact NH1-O 3.04Å; R88-S657 VanDerWaalsContact NH1-O 3.15Å; N655-S657 PolarHBondContact O-N 3.23Å; S657-E666 VanDerWaalsContact CB-OE2 3.24Å; S657-E666 WeakPolarHBondContact CB-OE2 3.17Å; S657-E666 VanDerWaalsContact OG-CD 3.24Å; S657-E666 PolarHBondContact OG-OE2 3.31Å; S657-E667 CarbonylContact C-O 3.54Å; S657-E667 WeakPolarHBondContact CA-O 3.45Å
658N68.2Low56.7Low69 Ų6990.1 Ų90.137%0.36951%0.513SS..EExtended strand (participates in β ladder)trans-87.5121.7-179.7178.826.5000108.8N60 L656 N660 E667N60-N658 PolarHBondContact ND2-OD1 2.99Å; L656-N658 PolarHBondContact O-N 2.96Å; N658-N660 PolarHBondContact O-N 2.84Å; N658-N660 VanDerWaalsContact O-N 3.14Å; N658-E667 PolarHBondContact N-O 3.07Å; N658-E667 VanDerWaalsContact O-CB 3.28Å; N658-E667 WeakPolarHBondContact O-CB 3.29Å; N658-E667 PolarHBondContact O-N 3.2Å
659I76.9Confident58Low0 Ų086.5 Ų86.50%049%0.494CS..EExtended strand (participates in β ladder)trans-77.4109.2-177.4-54.4170.8000109.1N60 R88 Q89 F92 S661 G664 E665 E666N60-I659 PolarHBondContact ND2-O 2.9Å; R88-I659 HydrophobicContact CG-CD1 3.68Å; Q89-I659 VanDerWaalsContact OE1-CD1 3.24Å; F92-I659 HydrophobicContact CB-CD1 3.84Å; F92-I659 HydrophobicContact CD1-CB 4.36Å; F92-I659 HydrophobicContact CD1-CG2 3.44Å; F92-I659 VanDerWaalsContact CD1-CG2 3.44Å; F92-I659 HydrophobicContact CD2-CG2 4.44Å; F92-I659 HydrophobicContact CE1-CG2 3.55Å; F92-I659 HydrophobicContact CG-CB 4.39Å; F92-I659 HydrophobicContact CG-CD1 4.07Å; F92-I659 HydrophobicContact CG-CG2 3.93Å; F92-I659 HydrophobicContact CZ-CG2 4.13Å; I659-S661 PolarHBondContact O-N 2.95Å; I659-G664 WeakPolarHBondContact CG2-O 3.49Å; I659-E665 CarbonylContact C-O 3.51Å; I659-E665 WeakPolarHBondContact CA-O 3.02Å; I659-E666 HydrophobicContact CG1-CG 4.16Å
660N79.3Confident58.9Low52 Ų5283 Ų8328%0.27848%0.479SS..  trans-55.3124.3179.6-177-57.1000109.8N658 E662 T663 G664 E665N658-N660 PolarHBondContact O-N 2.84Å; N658-N660 VanDerWaalsContact O-N 3.14Å; N660-E662 PolarHBondContact O-N 3.38Å; N660-E662 WeakPolarHBondContact OD1-CB 3.36Å; N660-E662 PolarHBondContact OD1-N 3.37Å; N660-T663 PolarHBondContact OD1-N 3.06Å; N660-T663 VanDerWaalsContact OD1-N 3.16Å; N660-G664 WeakPolarHBondContact O-CA 3.03Å; N660-G664 PolarHBondContact O-N 3.07Å; N660-E665 PolarHBondContact N-O 3.42Å
661S76.3Confident60.6Low43 Ų4383.7 Ų83.730%0.30147%0.465SS..THydrogen-bonded Turntrans-68.7-21.2-171.3-66.70000114.1I659I659-S661 PolarHBondContact O-N 2.95Å
662E72Confident62.1Low133 Ų13378.8 Ų78.862%0.62144%0.441SS*.THydrogen-bonded Turntrans-93.4-53-175.9-167.8157.785.600111.7K23 K96 N660K23-E662 IonicContact NZ-OE1 3.28Å; K23-E662 PolarHBondContact NZ-OE1 3.18Å; K23-E662 VanDerWaalsContact NZ-OE1 3.1Å; K23-E662 IonicContact NZ-OE2 3.36Å; K23-E662 PolarHBondContact NZ-OE2 3.27Å; K96-E662 PolarHBondContact NZ-O 3.33Å; N660-E662 PolarHBondContact O-N 3.38Å; N660-E662 WeakPolarHBondContact OD1-CB 3.36Å; N660-E662 PolarHBondContact OD1-N 3.37Å
663T77.7Confident63.8Low75 Ų7577.4 Ų77.446%0.4643%0.425SS..THydrogen-bonded Turntrans-78.3-40.1176.871.80000111.5K96 N660 E665K96-T663 PolarHBondContact NZ-O 2.88Å; N660-T663 PolarHBondContact OD1-N 3.06Å; N660-T663 VanDerWaalsContact OD1-N 3.16Å; T663-E665 WeakPolarHBondContact CB-OE2 3.21Å; T663-E665 WeakPolarHBondContact CG2-OE2 3.45Å; T663-E665 WeakPolarHBondContact OG1-CB 3.27Å; T663-E665 WeakPolarHBondContact OG1-CG 3.23Å; T663-E665 PolarHBondContact OG1-N 3.12Å; T663-E665 PolarHBondContact OG1-OE2 3.34Å
664G75.1Confident65.6Low8 Ų874.5 Ų74.58%0.08240%0.404CS..  trans88.213.1-173.200000113.5Q89 K96 I659 N660Q89-G664 PolarHBondContact NE2-O 3.11Å; K96-G664 VanDerWaalsContact NZ-N 3.19Å; I659-G664 WeakPolarHBondContact CG2-O 3.49Å; N660-G664 WeakPolarHBondContact O-CA 3.03Å; N660-G664 PolarHBondContact O-N 3.07Å
665E77.6Confident67.3Low130 Ų13072.5 Ų72.561%0.60740%0.395SS*.  trans-91.1157.4179.3-61.5158.8140.200111.4I659 N660 T663 E667I659-E665 CarbonylContact C-O 3.51Å; I659-E665 WeakPolarHBondContact CA-O 3.02Å; N660-E665 PolarHBondContact N-O 3.42Å; T663-E665 WeakPolarHBondContact CB-OE2 3.21Å; T663-E665 WeakPolarHBondContact CG2-OE2 3.45Å; T663-E665 WeakPolarHBondContact OG1-CB 3.27Å; T663-E665 WeakPolarHBondContact OG1-CG 3.23Å; T663-E665 PolarHBondContact OG1-N 3.12Å; T663-E665 PolarHBondContact OG1-OE2 3.34Å; E665-E667 PolarHBondContact O-N 3.45Å
666E71.7Confident69.4Low75 Ų7569.8 Ų69.835%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-80.5104.6176.1-82.9-167.9-16000110.8S85 S657 I659S85-E666 PolarHBondContact OG-OE1 2.86Å; S657-E666 VanDerWaalsContact CB-OE2 3.24Å; S657-E666 WeakPolarHBondContact CB-OE2 3.17Å; S657-E666 VanDerWaalsContact OG-CD 3.24Å; S657-E666 PolarHBondContact OG-OE2 3.31Å; I659-E666 HydrophobicContact CG1-CG 4.16Å
667E67.2Low70.8Confident119 Ų11971.2 Ų71.256%0.55639%0.39SS*.EExtended strand (participates in β ladder)trans-75.6122.7171.8-164.3174.9154.800108.9S657 N658 E665S657-E667 CarbonylContact C-O 3.54Å; S657-E667 WeakPolarHBondContact CA-O 3.45Å; N658-E667 PolarHBondContact N-O 3.07Å; N658-E667 VanDerWaalsContact O-CB 3.28Å; N658-E667 WeakPolarHBondContact O-CB 3.29Å; N658-E667 PolarHBondContact O-N 3.2Å; E665-E667 PolarHBondContact O-N 3.45Å
668S49.5Very low71.9Confident133 Ų13376.1 Ų76.193%0.9341%0.414SS*.  trans-97.30-160.6-59.40000116.6N655N655-S668 PolarHBondContact ND2-OXT 2.8Å

Retrieved 668 of 668 residues in 868.3 ms (Link to these results)

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