A0A087WVM6_HUMAN Loading...

NBPF member 4

AlphaFold DB , UniProt , Accession A0A087WVM6, Species HUMAN (Homo sapiens, Human), Gene NBPF4, Length 667 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
1M39.7Very low52.8Low235 Ų235119.9 Ų119.9100%1.15871%0.712SS**  0107.80-117169.8154.800106.2
2V41.1Very low53.9Low137 Ų137126.5 Ų126.583%0.8372%0.716SS**  trans-84.3118171.3175.70000106.5S4V2-S4 PolarHBondContact O-N 2.92Å
3V49.2Very low54.7Low133 Ų133120.6 Ų120.681%0.80669%0.692SS**  trans-82.397.3172.7178.50000106.7A5V3-A5 PolarHBondContact O-N 3.34Å
4S49.3Very low55.4Low96 Ų96119.5 Ų119.567%0.67168%0.678SS**PPolyproline II helixtrans-62.6116.9169.7-520000108.6V2 D6V2-S4 PolarHBondContact O-N 2.92Å; S4-D6 PolarHBondContact O-N 3.35Å
5A57.9Low56.5Low90 Ų90120.9 Ų120.974%0.74468%0.679SS**PPolyproline II helixtrans-67.1127.5169.100000108.9V3 P7V3-A5 PolarHBondContact O-N 3.34Å; A5-P7 VanDerWaalsContact O-CD 3.25Å; A5-P7 WeakPolarHBondContact O-CD 3.34Å
6D56Low58Low123 Ų123118.7 Ų118.766%0.65867%0.665SS**PPolyproline II helixtrans-62.2116.4-175.9-79.4-48.6000111.6S4 L8 S9S4-D6 PolarHBondContact O-N 3.35Å; D6-L8 PolarHBondContact O-N 3.19Å; D6-L8 VanDerWaalsContact O-N 3.12Å; D6-S9 WeakPolarHBondContact O-CB 3.01Å; D6-S9 PolarHBondContact O-N 3.28Å
7P57.1Low59.7Low101 Ų101117.5 Ų117.566%0.65666%0.656SS**Hα-helixtrans-58.2-29.9178.5-24.735000112.9A5 S9 S10 E11A5-P7 VanDerWaalsContact O-CD 3.25Å; A5-P7 WeakPolarHBondContact O-CD 3.34Å; P7-S9 PolarHBondContact O-N 3.41Å; P7-S9 VanDerWaalsContact O-N 3.1Å; P7-S10 PolarHBondContact O-N 3.3Å; P7-S10 VanDerWaalsContact O-N 3.1Å; P7-E11 PolarHBondContact O-N 3.4Å
8L52.8Low61.2Low121 Ų121117.7 Ų117.763%0.63465%0.654SS**Hα-helixtrans-60.4-18.6178.7-59.2175.2000113.8D6 R12D6-L8 PolarHBondContact O-N 3.19Å; D6-L8 VanDerWaalsContact O-N 3.12Å; L8-R12 VanDerWaalsContact O-CB 3.24Å; L8-R12 WeakPolarHBondContact O-CB 3.05Å; L8-R12 PolarHBondContact O-N 3Å
9S58.9Low62.6Low88 Ų88118.7 Ų118.762%0.61565%0.653SS**Hα-helixtrans-75.7-42.6175-166.30000111.8D6 P7 A13D6-S9 WeakPolarHBondContact O-CB 3.01Å; D6-S9 PolarHBondContact O-N 3.28Å; P7-S9 PolarHBondContact O-N 3.41Å; P7-S9 VanDerWaalsContact O-N 3.1Å; S9-A13 PolarHBondContact O-N 3.01Å; S9-A13 VanDerWaalsContact O-N 3.11Å
10S57.7Low64Low66 Ų66117.2 Ų117.246%0.46264%0.643SS.*Hα-helixtrans-66.4-50.1177.3-159.30000110.5P7 R12 A13 E14P7-S10 PolarHBondContact O-N 3.3Å; P7-S10 VanDerWaalsContact O-N 3.1Å; S10-R12 VanDerWaalsContact C-N 3.29Å; S10-R12 PolarHBondContact O-N 3.31Å; S10-A13 CarbonylContact O-C 3.6Å; S10-A13 WeakPolarHBondContact O-CA 3.45Å; S10-A13 WeakPolarHBondContact O-CB 3.49Å; S10-A13 PolarHBondContact O-N 2.83Å; S10-E14 WeakPolarHBondContact CB-OE1 3.29Å; S10-E14 WeakPolarHBondContact O-CG 3.16Å; S10-E14 PolarHBondContact O-N 3.3Å; S10-E14 PolarHBondContact OG-OE1 3.39Å
11E61.9Low65.2Low129 Ų129115 Ų11560%0.60363%0.631SS**Hα-helixtrans-60.8-37.1-178.8-168.9171.2-165.700112.1P7 E14 M15P7-E11 PolarHBondContact O-N 3.4Å; E11-E14 PolarHBondContact O-N 3.3Å; E11-M15 VanDerWaalsContact O-CB 3.3Å; E11-M15 WeakPolarHBondContact O-CB 3.39Å; E11-M15 PolarHBondContact O-N 3.01Å
12R65.3Low67.8Low199 Ų199110.7 Ų110.775%0.75161%0.608SS**Hα-helixtrans-67.2-37.3172.5-178.7176.8-67.8-157.4-2113L8 S10 N16L8-R12 VanDerWaalsContact O-CB 3.24Å; L8-R12 WeakPolarHBondContact O-CB 3.05Å; L8-R12 PolarHBondContact O-N 3Å; S10-R12 VanDerWaalsContact C-N 3.29Å; S10-R12 PolarHBondContact O-N 3.31Å; R12-N16 WeakPolarHBondContact O-CB 3.46Å; R12-N16 PolarHBondContact O-N 3.39Å
13A64Low70.3Confident50 Ų50108.8 Ų108.841%0.41359%0.59SS.*Hα-helixtrans-69.9-40.7176.100000111.4S9 S10 N16 I17S9-A13 PolarHBondContact O-N 3.01Å; S9-A13 VanDerWaalsContact O-N 3.11Å; S10-A13 CarbonylContact O-C 3.6Å; S10-A13 WeakPolarHBondContact O-CA 3.45Å; S10-A13 WeakPolarHBondContact O-CB 3.49Å; S10-A13 PolarHBondContact O-N 2.83Å; A13-N16 PolarHBondContact O-N 3.37Å; A13-I17 VanDerWaalsContact O-CG1 3.31Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 3.1Å
14E65Low72.5Confident105 Ų105107 Ų10749%0.49158%0.576SS.*Hα-helixtrans-64.7-44.1176.4-70.8165.2-128.700112S10 E11 N16 I17 L18S10-E14 WeakPolarHBondContact CB-OE1 3.29Å; S10-E14 WeakPolarHBondContact O-CG 3.16Å; S10-E14 PolarHBondContact O-N 3.3Å; S10-E14 PolarHBondContact OG-OE1 3.39Å; E11-E14 PolarHBondContact O-N 3.3Å; E14-N16 VanDerWaalsContact C-N 3.31Å; E14-N16 PolarHBondContact O-N 3.1Å; E14-I17 PolarHBondContact O-N 2.91Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 3.04Å
15M71.9Confident74.6Confident140 Ų140111.1 Ų111.169%0.6958%0.577SS**Hα-helixtrans-56.1-44.7173.4-166.980.7164.600111.6E11 L18 E19E11-M15 VanDerWaalsContact O-CB 3.3Å; E11-M15 WeakPolarHBondContact O-CB 3.39Å; E11-M15 PolarHBondContact O-N 3.01Å; M15-L18 PolarHBondContact O-N 2.91Å; M15-E19 WeakPolarHBondContact O-CB 3.46Å; M15-E19 PolarHBondContact O-N 3.48Å
16N81.4Confident76.3Confident86 Ų86110 Ų11046%0.4656%0.563SS.*Hα-helixtrans-66.3-42.1178.6-168.6-20.9000111.7R12 A13 E14 L18 E19 I20R12-N16 WeakPolarHBondContact O-CB 3.46Å; R12-N16 PolarHBondContact O-N 3.39Å; A13-N16 PolarHBondContact O-N 3.37Å; E14-N16 VanDerWaalsContact C-N 3.31Å; E14-N16 PolarHBondContact O-N 3.1Å; N16-L18 VanDerWaalsContact C-N 3.33Å; N16-L18 PolarHBondContact O-N 3.24Å; N16-E19 PolarHBondContact O-N 3.35Å; N16-I20 WeakPolarHBondContact O-CB 3.27Å; N16-I20 VanDerWaalsContact O-CG1 3.29Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 2.65Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.46Å
17I85.8Confident78Confident99 Ų99109 Ų10951%0.50855%0.554SS.*Hα-helixtrans-61.9-40.4174.5-69.5163.8000111.2A13 E14 N21A13-I17 VanDerWaalsContact O-CG1 3.31Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 3.1Å; E14-I17 PolarHBondContact O-N 2.91Å; I17-N21 WeakPolarHBondContact CG2-ND2 3.34Å; I17-N21 WeakPolarHBondContact O-CB 3.49Å; I17-N21 PolarHBondContact O-N 2.99Å; I17-N21 PolarHBondContact O-ND2 3.4Å
18L86.7Confident79.7Confident120 Ų120109.2 Ų109.263%0.62855%0.55SS*.Hα-helixtrans-67.2-43177-72.6173.2000112.2E14 M15 N16 N21 Q22E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 3.04Å; M15-L18 PolarHBondContact O-N 2.91Å; N16-L18 VanDerWaalsContact C-N 3.33Å; N16-L18 PolarHBondContact O-N 3.24Å; L18-N21 PolarHBondContact O-N 2.86Å; L18-Q22 PolarHBondContact O-N 3.36Å
19E87.9Confident81.7Confident137 Ų137106.3 Ų106.364%0.6454%0.543SS*.Hα-helixtrans-61.3-47.3176.4-171.5170.4-157.300111.5M15 N16 N21 Q22 E23M15-E19 WeakPolarHBondContact O-CB 3.46Å; M15-E19 PolarHBondContact O-N 3.48Å; N16-E19 PolarHBondContact O-N 3.35Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.97Å; E19-Q22 PolarHBondContact O-N 2.86Å; E19-E23 WeakPolarHBondContact O-CB 3.39Å; E19-E23 PolarHBondContact O-N 2.9Å
20I90.1Very high83.4Confident88 Ų88107.5 Ų107.545%0.45154%0.539SS..Hα-helixtrans-58.7-43.8173.3-69.1167.4000111.2N16 Q22 E23 L24N16-I20 WeakPolarHBondContact O-CB 3.27Å; N16-I20 VanDerWaalsContact O-CG1 3.29Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 2.65Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.46Å; I20-Q22 VanDerWaalsContact C-N 3.32Å; I20-Q22 PolarHBondContact O-N 3.33Å; I20-E23 PolarHBondContact O-N 2.94Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 3.34Å
21N90.3Very high84.9Confident72 Ų72107.6 Ų107.639%0.38554%0.54SS..Hα-helixtrans-65.9-33.8178.3-86.7-72.3000112.8I17 L18 E19 R25I17-N21 WeakPolarHBondContact CG2-ND2 3.34Å; I17-N21 WeakPolarHBondContact O-CB 3.49Å; I17-N21 PolarHBondContact O-N 2.99Å; I17-N21 PolarHBondContact O-ND2 3.4Å; L18-N21 PolarHBondContact O-N 2.86Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.97Å; N21-R25 WeakPolarHBondContact O-CD 3.4Å; N21-R25 WeakPolarHBondContact O-CG 3.28Å; N21-R25 PolarHBondContact O-N 2.92Å
22Q94.1Very high86.3Confident145 Ų145104.9 Ų104.968%0.67853%0.529SS*.Hα-helixtrans-70.7-43175.2-177.2167.3-1000111.3L18 E19 I20 R25 S26L18-Q22 PolarHBondContact O-N 3.36Å; E19-Q22 PolarHBondContact O-N 2.86Å; I20-Q22 VanDerWaalsContact C-N 3.32Å; I20-Q22 PolarHBondContact O-N 3.33Å; Q22-R25 WeakPolarHBondContact O-CB 3.3Å; Q22-R25 PolarHBondContact O-N 3.42Å; Q22-S26 PolarHBondContact O-N 2.97Å
23E94.1Very high87.7Confident97 Ų9799.3 Ų99.345%0.45351%0.512SS..Hα-helixtrans-62.7-45.6176179.654-154.200111.7E19 I20 R25 S26 Q27E19-E23 WeakPolarHBondContact O-CB 3.39Å; E19-E23 PolarHBondContact O-N 2.9Å; I20-E23 PolarHBondContact O-N 2.94Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 2.98Å; E23-S26 WeakPolarHBondContact O-CA 3.41Å; E23-S26 VanDerWaalsContact O-CB 3.3Å; E23-S26 WeakPolarHBondContact O-CB 3.39Å; E23-S26 PolarHBondContact O-N 3.37Å; E23-Q27 WeakPolarHBondContact O-CG 3.35Å; E23-Q27 PolarHBondContact O-N 3.45Å; E23-Q27 WeakPolarHBondContact OE1-CG 3.25Å; E23-Q27 PolarHBondContact OE1-NE2 3.49Å
24L94.2Very high89Confident96 Ų96102.1 Ų102.150%0.50352%0.516SS..Hα-helixtrans-60-35.6174.5-72.9171.7000112.8I20 L28I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 3.34Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 3.41Å
25R93.1Very high90.3Very high182 Ų182103.8 Ų103.869%0.68752%0.522SS*.Hα-helixtrans-68.8-38.1173.4-73.3168.7-175.4-170.83.5111.9N21 Q22 E23 L28 A29N21-R25 WeakPolarHBondContact O-CD 3.4Å; N21-R25 WeakPolarHBondContact O-CG 3.28Å; N21-R25 PolarHBondContact O-N 2.92Å; Q22-R25 WeakPolarHBondContact O-CB 3.3Å; Q22-R25 PolarHBondContact O-N 3.42Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 2.98Å; R25-L28 PolarHBondContact O-N 3.18Å; R25-A29 WeakPolarHBondContact O-CB 3.5Å; R25-A29 PolarHBondContact O-N 3.4Å
26S94.6Very high91.3Very high67 Ų67103.3 Ų103.347%0.46951%0.513SS..Hα-helixtrans-62-53175-1670000111Q22 E23 L28 A29 E30Q22-S26 PolarHBondContact O-N 2.97Å; E23-S26 WeakPolarHBondContact O-CA 3.41Å; E23-S26 VanDerWaalsContact O-CB 3.3Å; E23-S26 WeakPolarHBondContact O-CB 3.39Å; E23-S26 PolarHBondContact O-N 3.37Å; S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.96Å; S26-A29 WeakPolarHBondContact O-CB 3.42Å; S26-A29 PolarHBondContact O-N 2.92Å; S26-E30 PolarHBondContact O-N 3.23Å
27Q91.2Very high91.9Very high100 Ų100102 Ų10247%0.46751%0.506SS..Hα-helixtrans-60-38.9177.1-67178.916.100112.4E23 E30 S31E23-Q27 WeakPolarHBondContact O-CG 3.35Å; E23-Q27 PolarHBondContact O-N 3.45Å; E23-Q27 WeakPolarHBondContact OE1-CG 3.25Å; E23-Q27 PolarHBondContact OE1-NE2 3.49Å; Q27-E30 PolarHBondContact O-N 2.92Å; Q27-S31 VanDerWaalsContact O-CB 3.23Å; Q27-S31 WeakPolarHBondContact O-CB 3.45Å; Q27-S31 PolarHBondContact O-N 3.49Å
28L93.4Very high92.3Very high107 Ų107102.9 Ų102.956%0.5651%0.511SS*.Hα-helixtrans-64.2-40.6173.7-179.362.3000111.7L24 R25 S26 N32L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 3.41Å; R25-L28 PolarHBondContact O-N 3.18Å; S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.96Å; L28-N32 WeakPolarHBondContact CD1-ND2 3.32Å; L28-N32 WeakPolarHBondContact O-CB 3.42Å; L28-N32 PolarHBondContact O-N 3.01Å; L28-N32 PolarHBondContact O-ND2 3.3Å
29A94.7Very high92.6Very high59 Ų59103.2 Ų103.249%0.48851%0.507SS..Hα-helixtrans-66.3-43.6177.300000111.8R25 S26 N32 Q33R25-A29 WeakPolarHBondContact O-CB 3.5Å; R25-A29 PolarHBondContact O-N 3.4Å; S26-A29 WeakPolarHBondContact O-CB 3.42Å; S26-A29 PolarHBondContact O-N 2.92Å; A29-N32 PolarHBondContact O-N 3.45Å; A29-Q33 PolarHBondContact O-N 2.83Å
30E94.3Very high92.9Very high113 Ų113102.4 Ų102.453%0.52850%0.504SS..Hα-helixtrans-63-50176.7-167-171.5164.900111.5S26 Q27 N32 Q33 Q34S26-E30 PolarHBondContact O-N 3.23Å; Q27-E30 PolarHBondContact O-N 2.92Å; E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 PolarHBondContact O-N 2.82Å; E30-Q33 WeakPolarHBondContact O-CA 3.34Å; E30-Q33 WeakPolarHBondContact O-CB 3.39Å; E30-Q33 PolarHBondContact O-N 3.44Å; E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 2.75Å; E30-Q34 PolarHBondContact OE1-NE2 3.48Å
31S89.7Confident93.2Very high69 Ų69104.4 Ų104.448%0.48351%0.509SS..Hα-helixtrans-57.5-40.3176.9-178.10000112.3Q27 Q33 Q34 F35Q27-S31 VanDerWaalsContact O-CB 3.23Å; Q27-S31 WeakPolarHBondContact O-CB 3.45Å; Q27-S31 PolarHBondContact O-N 3.49Å; S31-Q33 PolarHBondContact O-N 2.9Å; S31-Q34 PolarHBondContact O-N 2.88Å; S31-F35 WeakPolarHBondContact O-CB 3.29Å; S31-F35 PolarHBondContact O-N 3.45Å
32N90.4Very high93.3Very high72 Ų72105.9 Ų105.939%0.38551%0.512SS..Hα-helixtrans-65.7-33.8173.7-83.6-64.5000113.2L28 A29 E30 R36L28-N32 WeakPolarHBondContact CD1-ND2 3.32Å; L28-N32 WeakPolarHBondContact O-CB 3.42Å; L28-N32 PolarHBondContact O-N 3.01Å; L28-N32 PolarHBondContact O-ND2 3.3Å; A29-N32 PolarHBondContact O-N 3.45Å; E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 PolarHBondContact O-N 2.82Å; N32-R36 WeakPolarHBondContact O-CG 3.42Å; N32-R36 PolarHBondContact O-N 3.21Å; N32-R36 PolarHBondContact O-NH1 3.37Å
33Q95.1Very high93.4Very high82 Ų82103.3 Ų103.338%0.38350%0.503SS..Hα-helixtrans-71.1-47.2173.5-173.762.346.500111.1A29 E30 S31 F35 R36 D37A29-Q33 PolarHBondContact O-N 2.83Å; E30-Q33 WeakPolarHBondContact O-CA 3.34Å; E30-Q33 WeakPolarHBondContact O-CB 3.39Å; E30-Q33 PolarHBondContact O-N 3.44Å; S31-Q33 PolarHBondContact O-N 2.9Å; Q33-F35 PolarHBondContact O-N 3.04Å; Q33-R36 WeakPolarHBondContact O-CA 3.46Å; Q33-R36 WeakPolarHBondContact O-CB 3.36Å; Q33-R36 PolarHBondContact O-N 3.34Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.31Å; Q33-R36 VanDerWaalsContact OE1-NE 3.1Å; Q33-D37 PolarHBondContact NE2-OD1 3.08Å; Q33-D37 PolarHBondContact O-N 2.98Å
34Q90.9Very high93.3Very high109 Ų109103.2 Ų103.251%0.50950%0.504SS..Hα-helixtrans-56.1-38.5175.8-67.3178.95.400111.6E30 S31 D37 L38E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 2.75Å; E30-Q34 PolarHBondContact OE1-NE2 3.48Å; S31-Q34 PolarHBondContact O-N 2.88Å; Q34-D37 PolarHBondContact O-N 2.98Å; Q34-L38 VanDerWaalsContact O-CB 3.25Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 3.3Å
35F91.5Very high93.3Very high140 Ų140102.9 Ų102.961%0.61451%0.506SS*.Hα-helixtrans-65.5-38.6173.8-176.9-100.6000113.1S31 Q33 K39S31-F35 WeakPolarHBondContact O-CB 3.29Å; S31-F35 PolarHBondContact O-N 3.45Å; Q33-F35 PolarHBondContact O-N 3.04Å; F35-K39 VanDerWaalsContact O-CB 3.28Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 3.4Å
36R93.3Very high93.3Very high129 Ų12997.1 Ų97.149%0.48749%0.487SS..Hα-helixtrans-63.4-50.3173.2-74.3-174.5-70.3-92.79.7111.2N32 Q33 L38 K39 E40N32-R36 WeakPolarHBondContact O-CG 3.42Å; N32-R36 PolarHBondContact O-N 3.21Å; N32-R36 PolarHBondContact O-NH1 3.37Å; Q33-R36 WeakPolarHBondContact O-CA 3.46Å; Q33-R36 WeakPolarHBondContact O-CB 3.36Å; Q33-R36 PolarHBondContact O-N 3.34Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.31Å; Q33-R36 VanDerWaalsContact OE1-NE 3.1Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 3.34Å; R36-K39 WeakPolarHBondContact O-CB 3.49Å; R36-K39 PolarHBondContact O-N 2.97Å; R36-K39 VanDerWaalsContact O-N 3.14Å; R36-E40 PolarHBondContact O-N 2.91Å
37D94.3Very high93.2Very high60 Ų6096.9 Ų96.932%0.32149%0.489SS..Hα-helixtrans-61.3-41.2-179.2-62.4-0.9000111.7Q33 Q34 E40 K41Q33-D37 PolarHBondContact NE2-OD1 3.08Å; Q33-D37 PolarHBondContact O-N 2.98Å; Q34-D37 PolarHBondContact O-N 2.98Å; D37-E40 PolarHBondContact O-N 3.23Å; D37-K41 WeakPolarHBondContact O-CB 3.45Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.44Å; D37-K41 PolarHBondContact O-N 3.45Å
38L94.6Very high93.3Very high116 Ų11696.1 Ų96.161%0.60749%0.491SS*.Hα-helixtrans-67.4-38177-175.262.1000111.6Q34 R36 K41 F42Q34-L38 VanDerWaalsContact O-CB 3.25Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 3.3Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 3.34Å; L38-K41 PolarHBondContact O-N 2.92Å; L38-F42 WeakPolarHBondContact O-CB 3.27Å; L38-F42 PolarHBondContact O-N 3.49Å
39K92.8Very high93.2Very high127 Ų12793.3 Ų93.355%0.55248%0.483SS*.Hα-helixtrans-65.3-41.4175-175.2-178.7178.9-1750111.7F35 R36 F42 L43F35-K39 VanDerWaalsContact O-CB 3.28Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 3.4Å; R36-K39 WeakPolarHBondContact O-CB 3.49Å; R36-K39 PolarHBondContact O-N 2.97Å; R36-K39 VanDerWaalsContact O-N 3.14Å; K39-F42 PolarHBondContact O-N 3.28Å; K39-L43 HydrophobicContact CG-CD1 4.42Å; K39-L43 WeakPolarHBondContact O-CG 3.28Å; K39-L43 PolarHBondContact O-N 3.02Å
40E93.6Very high93Very high121 Ų12198 Ų9857%0.56549%0.489SS*.Hα-helixtrans-63.6-49.4174.5-175.6177.1-178.400111.2R36 D37 F42 L43 I44R36-E40 PolarHBondContact O-N 2.91Å; D37-E40 PolarHBondContact O-N 3.23Å; E40-F42 VanDerWaalsContact C-N 3.28Å; E40-F42 PolarHBondContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 3.32Å; E40-L43 VanDerWaalsContact O-N 3.1Å; E40-I44 HydrophobicContact CG-CD1 3.91Å; E40-I44 WeakPolarHBondContact O-CG1 3.18Å; E40-I44 PolarHBondContact O-N 2.91Å
41K96.1Very high92.8Very high130 Ų13095.7 Ų95.757%0.56549%0.486SS*.Hα-helixtrans-57.4-40175.2-73.4167.5-176.91690112.3D37 L38 I44 T45D37-K41 WeakPolarHBondContact O-CB 3.45Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.44Å; D37-K41 PolarHBondContact O-N 3.45Å; L38-K41 PolarHBondContact O-N 2.92Å; K41-I44 PolarHBondContact O-N 3.43Å; K41-T45 WeakPolarHBondContact O-CB 3.5Å; K41-T45 PolarHBondContact O-N 3.36Å; K41-T45 PolarHBondContact O-OG1 2.95Å
42F93.6Very high92.8Very high103 Ų10397.4 Ų97.445%0.45249%0.489SS..Hα-helixtrans-61.8-47.2174.4177.4-94.5000111.7L38 K39 E40 I44 T45 Q46L38-F42 WeakPolarHBondContact O-CB 3.27Å; L38-F42 PolarHBondContact O-N 3.49Å; K39-F42 PolarHBondContact O-N 3.28Å; E40-F42 VanDerWaalsContact C-N 3.28Å; E40-F42 PolarHBondContact O-N 3.1Å; F42-I44 PolarHBondContact O-N 2.87Å; F42-T45 PolarHBondContact O-N 2.9Å; F42-Q46 WeakPolarHBondContact O-CB 3.44Å; F42-Q46 PolarHBondContact O-N 3.22Å
43L94.9Very high92.5Very high91 Ų9195 Ų9548%0.47648%0.48SS..Hα-helixtrans-63-41.1177.9-70.3167.9000112.5K39 E40 Q46 A47K39-L43 HydrophobicContact CG-CD1 4.42Å; K39-L43 WeakPolarHBondContact O-CG 3.28Å; K39-L43 PolarHBondContact O-N 3.02Å; E40-L43 PolarHBondContact O-N 3.32Å; E40-L43 VanDerWaalsContact O-N 3.1Å; L43-Q46 PolarHBondContact O-N 2.96Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.16Å
44I94Very high92Very high94 Ų9494.4 Ų94.448%0.48248%0.479SS..Hα-helixtrans-63-43.5174.5-66.7167.3000110.7E40 K41 F42 A47 T48E40-I44 HydrophobicContact CG-CD1 3.91Å; E40-I44 WeakPolarHBondContact O-CG1 3.18Å; E40-I44 PolarHBondContact O-N 2.91Å; K41-I44 PolarHBondContact O-N 3.43Å; F42-I44 PolarHBondContact O-N 2.87Å; I44-A47 PolarHBondContact O-N 3.44Å; I44-T48 PolarHBondContact O-N 2.96Å; I44-T48 PolarHBondContact O-OG1 2.69Å
45T93.8Very high91.6Very high89 Ų8994.4 Ų94.455%0.54648%0.479SS..Hα-helixtrans-64.7-43.1178.2-54.80000111.4K41 F42 T48 A49K41-T45 WeakPolarHBondContact O-CB 3.5Å; K41-T45 PolarHBondContact O-N 3.36Å; K41-T45 PolarHBondContact O-OG1 2.95Å; F42-T45 PolarHBondContact O-N 2.9Å; T45-T48 WeakPolarHBondContact CA-OG1 3.46Å; T45-T48 PolarHBondContact O-N 2.95Å; T45-T48 PolarHBondContact O-OG1 3.21Å; T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.42Å; T45-A49 PolarHBondContact O-N 2.95Å
46Q92.8Very high91Very high62 Ų6290.3 Ų90.329%0.2946%0.463SS..Hα-helixtrans-63.8-43.3175.7-175.5169.362.100111.8F42 L43 T48 A49 Y50 E75F42-Q46 WeakPolarHBondContact O-CB 3.44Å; F42-Q46 PolarHBondContact O-N 3.22Å; L43-Q46 PolarHBondContact O-N 2.96Å; Q46-T48 PolarHBondContact O-N 3.29Å; Q46-A49 PolarHBondContact O-N 3.4Å; Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.47Å; Q46-Y50 PolarHBondContact O-N 2.93Å; Q46-E75 PolarHBondContact NE2-OE1 3.47Å
47A91.6Very high90.2Very high61 Ų6191.8 Ų91.850%0.50447%0.473SS..Hα-helixtrans-64-40.1176.900000112.5L43 I44 S51L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.16Å; I44-A47 PolarHBondContact O-N 3.44Å; A47-S51 VanDerWaalsContact O-CB 3.32Å; A47-S51 WeakPolarHBondContact O-CB 3.32Å; A47-S51 PolarHBondContact O-N 2.84Å
48T94.7Very high89.5Confident85 Ų8596.8 Ų96.852%0.52149%0.492SS..Hα-helixtrans-70.1-42.4176.338.40000112.3I44 T45 Q46 S51 L52I44-T48 PolarHBondContact O-N 2.96Å; I44-T48 PolarHBondContact O-OG1 2.69Å; T45-T48 WeakPolarHBondContact CA-OG1 3.46Å; T45-T48 PolarHBondContact O-N 2.95Å; T45-T48 PolarHBondContact O-OG1 3.21Å; Q46-T48 PolarHBondContact O-N 3.29Å; T48-S51 PolarHBondContact O-N 2.71Å; T48-L52 WeakPolarHBondContact O-CB 3.35Å; T48-L52 PolarHBondContact O-N 3.46Å
49A91.5Very high88.4Confident47 Ų4798.9 Ų98.939%0.38849%0.493SS..Hα-helixtrans-60.1-45.6173.300000112T45 Q46 L52 A53T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.42Å; T45-A49 PolarHBondContact O-N 2.95Å; Q46-A49 PolarHBondContact O-N 3.4Å; A49-L52 PolarHBondContact O-N 2.91Å; A49-A53 WeakPolarHBondContact O-CB 3.47Å; A49-A53 PolarHBondContact O-N 3.14Å
50Y89.6Confident87Confident157 Ų157101.2 Ų101.262%0.61650%0.503SS*.Hα-helixtrans-63.5-41.8177-177.4-102.3000112.6Q46 N54Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.47Å; Q46-Y50 PolarHBondContact O-N 2.93Å; Y50-N54 WeakPolarHBondContact CE1-ND2 3.42Å; Y50-N54 VanDerWaalsContact CZ-ND2 3.26Å; Y50-N54 WeakPolarHBondContact O-CB 3.36Å; Y50-N54 PolarHBondContact O-N 2.84Å; Y50-N54 PolarHBondContact O-ND2 2.91Å
51S91.1Very high85.3Confident65 Ų6597.6 Ų97.646%0.45549%0.491SS..Hα-helixtrans-60.9-47174.2-174.80000111.6A47 T48 N54 Q55A47-S51 VanDerWaalsContact O-CB 3.32Å; A47-S51 WeakPolarHBondContact O-CB 3.32Å; A47-S51 PolarHBondContact O-N 2.84Å; T48-S51 PolarHBondContact O-N 2.71Å; S51-N54 PolarHBondContact O-N 3.42Å; S51-Q55 WeakPolarHBondContact O-CG 3.25Å; S51-Q55 PolarHBondContact O-N 3.5Å
52L89.1Confident83.8Confident106 Ų10697 Ų9756%0.55549%0.49SS*.Hα-helixtrans-63.6-45.1178.2-175.263.6000111.9T48 A49 N54 Q55 L56T48-L52 WeakPolarHBondContact O-CB 3.35Å; T48-L52 PolarHBondContact O-N 3.46Å; A49-L52 PolarHBondContact O-N 2.91Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.3Å; L52-Q55 PolarHBondContact O-N 3.49Å; L52-Q55 VanDerWaalsContact O-N 3.1Å; L52-L56 HydrophobicContact CG-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 2.95Å
53A83.2Confident82.6Confident22 Ų22100.2 Ų100.218%0.18251%0.506CS..Hα-helixtrans-59.7-40.2175.900000112A49 L56 K57A49-A53 WeakPolarHBondContact O-CB 3.47Å; A49-A53 PolarHBondContact O-N 3.14Å; A53-L56 PolarHBondContact O-N 3.34Å; A53-K57 VanDerWaalsContact O-CB 3.29Å; A53-K57 WeakPolarHBondContact O-CB 3.44Å; A53-K57 PolarHBondContact O-N 3.02Å
54N84.5Confident81.2Confident69 Ų69101.5 Ų101.537%0.36951%0.505SS..Hα-helixtrans-66.3-35.7173.9-81.2-35.3000112.9Y50 S51 L52 K58Y50-N54 WeakPolarHBondContact CE1-ND2 3.42Å; Y50-N54 VanDerWaalsContact CZ-ND2 3.26Å; Y50-N54 WeakPolarHBondContact O-CB 3.36Å; Y50-N54 PolarHBondContact O-N 2.84Å; Y50-N54 PolarHBondContact O-ND2 2.91Å; S51-N54 PolarHBondContact O-N 3.42Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.3Å; N54-K58 WeakPolarHBondContact O-CB 3.43Å; N54-K58 PolarHBondContact O-N 3.03Å
55Q82.8Confident80.4Confident109 Ų109101.7 Ų101.751%0.50950%0.503SS..Hα-helixtrans-66.2-46.2172-66.7-151.822.700112S51 L52 K57 K58 Y59S51-Q55 WeakPolarHBondContact O-CG 3.25Å; S51-Q55 PolarHBondContact O-N 3.5Å; L52-Q55 PolarHBondContact O-N 3.49Å; L52-Q55 VanDerWaalsContact O-N 3.1Å; Q55-K57 VanDerWaalsContact C-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.23Å; Q55-K58 WeakPolarHBondContact O-CB 3.35Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-K58 VanDerWaalsContact O-N 3.1Å; Q55-Y59 WeakPolarHBondContact O-CD2 3.43Å; Q55-Y59 PolarHBondContact O-N 2.92Å
56L79Confident79.7Confident54 Ų54103.4 Ų103.428%0.28351%0.509SS..Hα-helixtrans-60-40.7176.8-67.3170.8000111.9L52 A53 Y59 I68L52-L56 HydrophobicContact CG-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 2.95Å; A53-L56 PolarHBondContact O-N 3.34Å; L56-Y59 PolarHBondContact O-N 3.28Å; L56-I68 HydrophobicContact CB-CD1 3.7Å; L56-I68 HydrophobicContact CD1-CD1 3.92Å; L56-I68 HydrophobicContact CD1-CG1 4.28Å; L56-I68 HydrophobicContact CG-CD1 4.45Å
57K76.4Confident79.2Confident160 Ų160105.3 Ų105.370%0.69652%0.52SS*.Hα-helixtrans-62.5-39.4173.6-173.3175.6-178.4176.60112.5A53 Q55 Y59 K60A53-K57 VanDerWaalsContact O-CB 3.29Å; A53-K57 WeakPolarHBondContact O-CB 3.44Å; A53-K57 PolarHBondContact O-N 3.02Å; Q55-K57 VanDerWaalsContact C-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.23Å; K57-Y59 VanDerWaalsContact C-N 3.29Å; K57-Y59 PolarHBondContact O-N 3Å; K57-K60 PolarHBondContact O-N 3.31Å
58K79.9Confident78.6Confident165 Ų165104.1 Ų104.172%0.71750%0.504SS*.Hα-helixtrans-61.4-35.2176.1-178.2-177.7176.4-176.80112.3N54 Q55 K60N54-K58 WeakPolarHBondContact O-CB 3.43Å; N54-K58 PolarHBondContact O-N 3.03Å; Q55-K58 WeakPolarHBondContact O-CB 3.35Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-K58 VanDerWaalsContact O-N 3.1Å; K58-K60 VanDerWaalsContact C-N 3.34Å
59Y71.6Confident77.9Confident159 Ų159103.4 Ų103.462%0.62450%0.497SS*.THydrogen-bonded Turntrans-84.51.1-179.3-70.9-65.5000115Q55 L56 K57 C61Q55-Y59 WeakPolarHBondContact O-CD2 3.43Å; Q55-Y59 PolarHBondContact O-N 2.92Å; L56-Y59 PolarHBondContact O-N 3.28Å; K57-Y59 VanDerWaalsContact C-N 3.29Å; K57-Y59 PolarHBondContact O-N 3Å; Y59-C61 PolarHBondContact O-N 2.93Å
60K63.8Low77.6Confident177 Ų177103.6 Ų103.677%0.7750%0.496SS*.THydrogen-bonded Turntrans46.848.3-173.1-72.6-168.9174.2-174.10112.1K57 K58 E62K57-K60 PolarHBondContact O-N 3.31Å; K58-K60 VanDerWaalsContact C-N 3.34Å; K60-E62 PolarHBondContact O-N 3.23Å
61C57.8Low77.3Confident45 Ų45100.1 Ų100.130%0.30449%0.491SS..  trans-70.977.3174-99.60000110.4Y59 E63 Y64 K65Y59-C61 PolarHBondContact O-N 2.93Å; C61-E63 PolarHBondContact O-N 3.41Å; C61-Y64 HydrophobicContact CB-CD2 3.91Å; C61-Y64 PolarHBondContact O-N 3.01Å; C61-K65 PolarHBondContact O-N 3.44Å
62E65.3Low76.8Confident117 Ų117101 Ų10155%0.54749%0.49SS..G310 helixtrans-61.4-29.1-176.7-143.769.5-167.700111.9K60 Y64 K65K60-E62 PolarHBondContact O-N 3.23Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 2.77Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-K65 WeakPolarHBondContact OE1-CD 3.36Å; E62-K65 IonicContact OE1-NZ 3.68Å; E62-K65 PolarHBondContact OE1-NZ 3.46Å
63E66.6Low76.4Confident170 Ų170102.4 Ų102.479%0.79449%0.488SS*.G310 helixtrans-65.7-21.2174-71.6-178.7131.500114.8C61C61-E63 PolarHBondContact O-N 3.41Å
64Y66.8Low76.3Confident118 Ų118105.8 Ų105.846%0.46350%0.503SS..G310 helixtrans-109.8-0.2-177.9-63-80.8000113.3C61 E62 D66 I67 I68C61-Y64 HydrophobicContact CB-CD2 3.91Å; C61-Y64 PolarHBondContact O-N 3.01Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 2.77Å; Y64-D66 PolarHBondContact O-N 3.03Å; Y64-I67 HydrophobicContact CD1-CD1 4.03Å; Y64-I67 WeakPolarHBondContact O-CB 3.34Å; Y64-I67 PolarHBondContact O-N 2.66Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.78Å
65K76.1Confident76.2Confident99 Ų99105 Ų10543%0.4350%0.497SS..Hα-helixtrans-61.6-44.6-173.5-164.6-179.8-173.9-177.20112.4C61 E62 I67 I68 D69C61-K65 PolarHBondContact O-N 3.44Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-K65 WeakPolarHBondContact OE1-CD 3.36Å; E62-K65 IonicContact OE1-NZ 3.68Å; E62-K65 PolarHBondContact OE1-NZ 3.46Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.3Å; K65-I68 PolarHBondContact O-N 3.49Å; K65-D69 WeakPolarHBondContact O-CB 3.44Å; K65-D69 PolarHBondContact O-N 2.76Å
66D79.4Confident76.1Confident125 Ų125105 Ų10567%0.66850%0.5SS*.Hα-helixtrans-66.4-32.4177.9-63.1-32.3000112.3Y64 S70Y64-D66 PolarHBondContact O-N 3.03Å; D66-S70 VanDerWaalsContact O-CB 3.29Å; D66-S70 WeakPolarHBondContact O-CB 3.24Å; D66-S70 PolarHBondContact O-N 3.31Å
67I82.4Confident76.1Confident102 Ų102108.3 Ų108.352%0.52351%0.514SS..Hα-helixtrans-70.5-45176.4-63.1167.4000110.1Y64 K65 S70 V71Y64-I67 HydrophobicContact CD1-CD1 4.03Å; Y64-I67 WeakPolarHBondContact O-CB 3.34Å; Y64-I67 PolarHBondContact O-N 2.66Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.3Å; I67-S70 WeakPolarHBondContact O-CB 3.23Å; I67-S70 PolarHBondContact O-N 3.05Å; I67-V71 WeakPolarHBondContact O-CG2 3.44Å; I67-V71 PolarHBondContact O-N 3.43Å
68I79.8Confident76.2Confident35 Ų35103.7 Ų103.718%0.17950%0.502CS..Hα-helixtrans-61.6-47.3176.2-65.6163.3000110.3L56 Y64 K65 S70 V71 L72L56-I68 HydrophobicContact CB-CD1 3.7Å; L56-I68 HydrophobicContact CD1-CD1 3.92Å; L56-I68 HydrophobicContact CD1-CG1 4.28Å; L56-I68 HydrophobicContact CG-CD1 4.45Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.78Å; K65-I68 PolarHBondContact O-N 3.49Å; I68-S70 VanDerWaalsContact C-N 3.3Å; I68-S70 PolarHBondContact O-N 3.4Å; I68-V71 PolarHBondContact O-N 2.85Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å
69D80.2Confident75.9Confident70 Ų70100.1 Ų100.137%0.37449%0.489SS..Hα-helixtrans-67.3-28.5178.2-82.35.3000112.8K65 R73K65-D69 WeakPolarHBondContact O-CB 3.44Å; K65-D69 PolarHBondContact O-N 2.76Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 WeakPolarHBondContact O-CG 3.43Å; D69-R73 PolarHBondContact O-N 2.95Å; D69-R73 PolarHBondContact O-NE 3.48Å; D69-R73 PolarHBondContact O-NH2 2.97Å
70S84.4Confident76.7Confident51 Ų5199 Ų9936%0.35749%0.489SS..Hα-helixtrans-66.1-55.4170.9-168.40000111.1D66 I67 I68 L72 R73 D74D66-S70 VanDerWaalsContact O-CB 3.29Å; D66-S70 WeakPolarHBondContact O-CB 3.24Å; D66-S70 PolarHBondContact O-N 3.31Å; I67-S70 WeakPolarHBondContact O-CB 3.23Å; I67-S70 PolarHBondContact O-N 3.05Å; I68-S70 VanDerWaalsContact C-N 3.3Å; I68-S70 PolarHBondContact O-N 3.4Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.41Å; S70-R73 WeakPolarHBondContact O-CB 3.22Å; S70-R73 PolarHBondContact O-N 3.46Å; S70-D74 PolarHBondContact O-N 2.94Å
71V83Confident78Confident84 Ų8497.5 Ų97.551%0.50948%0.483SS..Hα-helixtrans-59.9-41.6-178.1173.20000111I67 I68 R73 D74 E75I67-V71 WeakPolarHBondContact O-CG2 3.44Å; I67-V71 PolarHBondContact O-N 3.43Å; I68-V71 PolarHBondContact O-N 2.85Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.23Å; V71-D74 PolarHBondContact O-N 3.37Å; V71-E75 WeakPolarHBondContact O-CB 3.34Å; V71-E75 PolarHBondContact O-N 2.95Å
72L80Confident79.4Confident83 Ų8399.5 Ų99.544%0.43549%0.49SS..Hα-helixtrans-64.9-33.9176.2-70.9172.7000112.9I68 S70 L76I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.41Å; L72-L76 VanDerWaalsContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.22Å; L72-L76 PolarHBondContact O-N 3.22Å; L72-L76 VanDerWaalsContact O-N 3.08Å
73R82.3Confident80.4Confident137 Ų13796.7 Ų96.752%0.51749%0.487SS..Hα-helixtrans-68.5-43.8173-87.3-176.2-72-87.40.7112D69 S70 V71 L76 Q77D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 WeakPolarHBondContact O-CG 3.43Å; D69-R73 PolarHBondContact O-N 2.95Å; D69-R73 PolarHBondContact O-NE 3.48Å; D69-R73 PolarHBondContact O-NH2 2.97Å; S70-R73 WeakPolarHBondContact O-CB 3.22Å; S70-R73 PolarHBondContact O-N 3.46Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.23Å; R73-L76 PolarHBondContact O-N 3.48Å; R73-Q77 WeakPolarHBondContact O-CG 3.32Å; R73-Q77 PolarHBondContact O-N 2.93Å
74D80.8Confident81.6Confident93 Ų9392 Ų9250%0.49747%0.465SS..Hα-helixtrans-66.3-39.3-180-63.1-29.4000111.3S70 V71 S78S70-D74 PolarHBondContact O-N 2.94Å; V71-D74 PolarHBondContact O-N 3.37Å; D74-S78 WeakPolarHBondContact O-CB 3.47Å; D74-S78 PolarHBondContact O-N 3.43Å
75E82.6Confident82.8Confident53 Ų5392.3 Ų92.325%0.24847%0.469CS..Hα-helixtrans-64.3-41.3173.5-168176.9177.300111.6Q46 V71 S78 M79Q46-E75 PolarHBondContact NE2-OE1 3.47Å; V71-E75 WeakPolarHBondContact O-CB 3.34Å; V71-E75 PolarHBondContact O-N 2.95Å; E75-S78 WeakPolarHBondContact O-CB 3.45Å; E75-S78 PolarHBondContact O-N 3.24Å; E75-M79 WeakPolarHBondContact O-CG 3.48Å; E75-M79 PolarHBondContact O-N 2.98Å
76L80.2Confident83.4Confident109 Ų10993.7 Ų93.757%0.57148%0.48SS*.Hα-helixtrans-69-38.4179.2-159.8144.4000112.4L72 R73 S78 M79 E80L72-L76 VanDerWaalsContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.22Å; L72-L76 PolarHBondContact O-N 3.22Å; L72-L76 VanDerWaalsContact O-N 3.08Å; R73-L76 PolarHBondContact O-N 3.48Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-M79 HydrophobicContact CB-CE 4.45Å; L76-M79 HydrophobicContact CG-CE 4.37Å; L76-M79 PolarHBondContact O-N 2.89Å; L76-E80 PolarHBondContact O-N 3.49Å
77Q78.9Confident83.9Confident122 Ų12293.9 Ų93.957%0.5747%0.471SS*.Hα-helixtrans-65.4-35.7170.1-71.6-17813.100112.4R73 E80 K81R73-Q77 WeakPolarHBondContact O-CG 3.32Å; R73-Q77 PolarHBondContact O-N 2.93Å; Q77-E80 PolarHBondContact O-N 2.91Å; Q77-K81 WeakPolarHBondContact O-CB 3.45Å; Q77-K81 PolarHBondContact O-N 3.33Å
78S78.3Confident84.4Confident64 Ų6493.2 Ų93.245%0.44847%0.466SS..Hα-helixtrans-64.4-43.5173.9-168.80000111.5D74 E75 L76 K81 L82D74-S78 WeakPolarHBondContact O-CB 3.47Å; D74-S78 PolarHBondContact O-N 3.43Å; E75-S78 WeakPolarHBondContact O-CB 3.45Å; E75-S78 PolarHBondContact O-N 3.24Å; L76-S78 VanDerWaalsContact C-N 3.34Å; S78-K81 PolarHBondContact O-N 3.42Å; S78-L82 WeakPolarHBondContact O-CG 3.43Å; S78-L82 PolarHBondContact O-N 2.98Å
79M74.4Confident84.8Confident90 Ų9094.2 Ų94.244%0.44348%0.479SS..Hα-helixtrans-63.2-43174-72.5-166.5-66.300112.7E75 L76 K81 L82 A83E75-M79 WeakPolarHBondContact O-CG 3.48Å; E75-M79 PolarHBondContact O-N 2.98Å; L76-M79 HydrophobicContact CB-CE 4.45Å; L76-M79 HydrophobicContact CG-CE 4.37Å; L76-M79 PolarHBondContact O-N 2.89Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.9Å; M79-L82 PolarHBondContact O-N 2.96Å; M79-L82 VanDerWaalsContact O-N 3.16Å; M79-A83 WeakPolarHBondContact O-CB 3.46Å; M79-A83 PolarHBondContact O-N 3.03Å
80E86.8Confident85.5Confident135 Ų13594.4 Ų94.463%0.63148%0.478SS*.Hα-helixtrans-59.8-43.3175.2-174.9175.1-156.300111.3L76 Q77 L82 A83 E84L76-E80 PolarHBondContact O-N 3.49Å; Q77-E80 PolarHBondContact O-N 2.91Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3.49Å; E80-A83 PolarHBondContact O-N 2.9Å; E80-E84 PolarHBondContact O-N 2.99Å
81K91.7Very high85.9Confident146 Ų14696.5 Ų96.564%0.63548%0.482SS*.Hα-helixtrans-65.9-30.3175.7-168.5174.2-175.2175.90113.2Q77 S78 M79 K85Q77-K81 WeakPolarHBondContact O-CB 3.45Å; Q77-K81 PolarHBondContact O-N 3.33Å; S78-K81 PolarHBondContact O-N 3.42Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.9Å; K81-K85 WeakPolarHBondContact O-CG 3.39Å; K81-K85 PolarHBondContact O-N 2.98Å
82L86.5Confident86.4Confident87 Ų8798.2 Ų98.246%0.45549%0.488SS..Hα-helixtrans-74.3-39.9171.7-75.5168.7000112S78 M79 E80 K85 L86S78-L82 WeakPolarHBondContact O-CG 3.43Å; S78-L82 PolarHBondContact O-N 2.98Å; M79-L82 PolarHBondContact O-N 2.96Å; M79-L82 VanDerWaalsContact O-N 3.16Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3.49Å; L82-K85 WeakPolarHBondContact O-CB 3.3Å; L82-K85 PolarHBondContact O-N 2.96Å; L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.21Å
83A86.3Confident87.1Confident58 Ų58102.1 Ų102.148%0.47950%0.497SS..Hα-helixtrans-63.5-42.617600000111.8M79 E80 L86 R87M79-A83 WeakPolarHBondContact O-CB 3.46Å; M79-A83 PolarHBondContact O-N 3.03Å; E80-A83 PolarHBondContact O-N 2.9Å; A83-L86 PolarHBondContact O-N 2.99Å; A83-R87 PolarHBondContact O-N 3.04Å
84E92.7Very high87.7Confident70 Ų70101.2 Ų101.233%0.32750%0.498SS..Hα-helixtrans-62.7-41.8174.5-178.860.6-150.700111.7E80 L86 R87 Q88E80-E84 PolarHBondContact O-N 2.99Å; E84-L86 PolarHBondContact O-N 3.36Å; E84-R87 PolarHBondContact O-N 3.45Å; E84-R87 IonicContact OE1-CZ 3.55Å; E84-R87 IonicContact OE1-NH1 3.43Å; E84-R87 IonicContact OE1-NH2 3.44Å; E84-R87 PolarHBondContact OE1-NH2 3.44Å; E84-R87 IonicContact OE2-CZ 3.49Å; E84-R87 IonicContact OE2-NH1 3.57Å; E84-R87 PolarHBondContact OE2-NH1 2.9Å; E84-R87 IonicContact OE2-NH2 2.77Å; E84-R87 PolarHBondContact OE2-NH2 2.94Å; E84-Q88 VanDerWaalsContact O-CG 3.32Å; E84-Q88 WeakPolarHBondContact O-CG 3.5Å; E84-Q88 PolarHBondContact O-N 3.46Å; E84-Q88 PolarHBondContact OE1-NE2 3.19Å
85K91.6Very high88.3Confident125 Ų125104.1 Ų104.154%0.54350%0.504SS..Hα-helixtrans-61.9-40.2172.8-79.2178.1174.8-171.50112.6K81 L82 Q88 A89K81-K85 WeakPolarHBondContact O-CG 3.39Å; K81-K85 PolarHBondContact O-N 2.98Å; L82-K85 WeakPolarHBondContact O-CB 3.3Å; L82-K85 PolarHBondContact O-N 2.96Å; K85-Q88 PolarHBondContact O-N 3.14Å; K85-A89 WeakPolarHBondContact O-CB 3.31Å; K85-A89 PolarHBondContact O-N 3.05Å
86L88.8Confident89Confident128 Ų128108 Ų10867%0.6752%0.52SS*.Hα-helixtrans-65.5-40.3175.9-78.2167.4000111.6L82 A83 E84 A89 E90L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.21Å; A83-L86 PolarHBondContact O-N 2.99Å; E84-L86 PolarHBondContact O-N 3.36Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-E90 PolarHBondContact O-N 3.24Å
87R90.9Very high89.7Confident129 Ų129105.8 Ų105.849%0.48752%0.517SS..Hα-helixtrans-62.1-45.4174.4-157-172.877.3-114.7-20.2111.3A83 E84 A89 E90 E91A83-R87 PolarHBondContact O-N 3.04Å; E84-R87 PolarHBondContact O-N 3.45Å; E84-R87 IonicContact OE1-CZ 3.55Å; E84-R87 IonicContact OE1-NH1 3.43Å; E84-R87 IonicContact OE1-NH2 3.44Å; E84-R87 PolarHBondContact OE1-NH2 3.44Å; E84-R87 IonicContact OE2-CZ 3.49Å; E84-R87 IonicContact OE2-NH1 3.57Å; E84-R87 PolarHBondContact OE2-NH1 2.9Å; E84-R87 IonicContact OE2-NH2 2.77Å; E84-R87 PolarHBondContact OE2-NH2 2.94Å; R87-A89 VanDerWaalsContact C-N 3.33Å; R87-A89 PolarHBondContact O-N 2.95Å; R87-E90 PolarHBondContact O-N 3.24Å; R87-E91 IonicContact CZ-OE1 3.62Å; R87-E91 IonicContact NE-OE1 2.66Å; R87-E91 PolarHBondContact NE-OE1 3.47Å; R87-E91 IonicContact NH2-OE1 3.37Å; R87-E91 PolarHBondContact NH2-OE1 3.07Å; R87-E91 WeakPolarHBondContact O-CG 3.37Å; R87-E91 PolarHBondContact O-N 3.14Å
88Q92.2Very high90.5Very high89 Ų89105.3 Ų105.342%0.41652%0.518SS..Hα-helixtrans-62.6-37.2176.4-69.6170.313.800112.7E84 K85 L92E84-Q88 VanDerWaalsContact O-CG 3.32Å; E84-Q88 WeakPolarHBondContact O-CG 3.5Å; E84-Q88 PolarHBondContact O-N 3.46Å; E84-Q88 PolarHBondContact OE1-NE2 3.19Å; K85-Q88 PolarHBondContact O-N 3.14Å; Q88-L92 WeakPolarHBondContact O-CB 3.24Å; Q88-L92 WeakPolarHBondContact O-CG 3.32Å; Q88-L92 PolarHBondContact O-N 3.29Å
89A89Confident91.4Very high55 Ų55105.1 Ų105.146%0.45551%0.514SS..Hα-helixtrans-66.3-39175.300000112.5K85 L86 R87 L92 R93K85-A89 WeakPolarHBondContact O-CB 3.31Å; K85-A89 PolarHBondContact O-N 3.05Å; L86-A89 PolarHBondContact O-N 3.41Å; R87-A89 VanDerWaalsContact C-N 3.33Å; R87-A89 PolarHBondContact O-N 2.95Å; A89-L92 PolarHBondContact O-N 3.3Å; A89-R93 WeakPolarHBondContact O-CB 3.11Å; A89-R93 PolarHBondContact O-N 3.02Å
90E93.3Very high92.4Very high75 Ų75106.5 Ų106.535%0.3552%0.519SS..Hα-helixtrans-73-37.5176.1-173.756.5-14200112L86 R87 L92 R93 Q94L86-E90 PolarHBondContact O-N 3.24Å; R87-E90 PolarHBondContact O-N 3.24Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 2.91Å; E90-R93 WeakPolarHBondContact O-CB 3.43Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-NH1 2.84Å; E90-R93 WeakPolarHBondContact OE2-CD 3.32Å; E90-R93 IonicContact OE2-CZ 2.65Å; E90-R93 IonicContact OE2-NE 2.78Å; E90-R93 IonicContact OE2-NH1 3.8Å; E90-R93 PolarHBondContact OE2-NH1 3.46Å; E90-Q94 WeakPolarHBondContact O-CG 3.33Å; E90-Q94 PolarHBondContact O-N 3.1Å; E90-Q94 PolarHBondContact OE1-NE2 2.89Å
91E93.6Very high92.8Very high95 Ų95102.7 Ų102.744%0.44451%0.507SS..Hα-helixtrans-57.9-45169.6-73.5170.7-151.400111.4R87 Q94 Y95R87-E91 IonicContact CZ-OE1 3.62Å; R87-E91 IonicContact NE-OE1 2.66Å; R87-E91 PolarHBondContact NE-OE1 3.47Å; R87-E91 IonicContact NH2-OE1 3.37Å; R87-E91 PolarHBondContact NH2-OE1 3.07Å; R87-E91 WeakPolarHBondContact O-CG 3.37Å; R87-E91 PolarHBondContact O-N 3.14Å; E91-Q94 PolarHBondContact O-N 3.06Å; E91-Y95 PolarHBondContact O-N 2.91Å
92L94.2Very high93Very high119 Ų119101.2 Ų101.262%0.62350%0.502SS*.Hα-helixtrans-64.9-37.5175.1-77169.7000112.9Q88 A89 E90 Y95 K96Q88-L92 WeakPolarHBondContact O-CB 3.24Å; Q88-L92 WeakPolarHBondContact O-CG 3.32Å; Q88-L92 PolarHBondContact O-N 3.29Å; A89-L92 PolarHBondContact O-N 3.3Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 2.91Å; L92-Y95 PolarHBondContact O-N 3.46Å; L92-K96 WeakPolarHBondContact O-CB 3.32Å; L92-K96 PolarHBondContact O-N 3.4Å
93R94.6Very high93.4Very high165 Ų16599.2 Ų99.262%0.62350%0.499SS*.Hα-helixtrans-62.8-43.4175.2-175.8-167.4-179-168.8-0.3111.5A89 E90 K96 A97A89-R93 WeakPolarHBondContact O-CB 3.11Å; A89-R93 PolarHBondContact O-N 3.02Å; E90-R93 WeakPolarHBondContact O-CB 3.43Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-NH1 2.84Å; E90-R93 WeakPolarHBondContact OE2-CD 3.32Å; E90-R93 IonicContact OE2-CZ 2.65Å; E90-R93 IonicContact OE2-NE 2.78Å; E90-R93 IonicContact OE2-NH1 3.8Å; E90-R93 PolarHBondContact OE2-NH1 3.46Å; R93-K96 PolarHBondContact O-N 3.35Å; R93-A97 PolarHBondContact O-N 2.99Å
94Q94.9Very high93.9Very high118 Ų118103.2 Ų103.255%0.55151%0.505SS*.Hα-helixtrans-65.4-44.1176.5-69.9172.519.800111.6E90 E91 K96 A97 L98E90-Q94 WeakPolarHBondContact O-CG 3.33Å; E90-Q94 PolarHBondContact O-N 3.1Å; E90-Q94 PolarHBondContact OE1-NE2 2.89Å; E91-Q94 PolarHBondContact O-N 3.06Å; Q94-K96 PolarHBondContact O-N 2.89Å; Q94-A97 PolarHBondContact O-N 3.42Å; Q94-L98 PolarHBondContact O-N 3.36Å
95Y93.3Very high94.1Very high155 Ų155105.2 Ų105.261%0.60852%0.515SS*.Hα-helixtrans-59.7-45.2174.1-179-102.4000111.9E91 L92 A97 L98 V99E91-Y95 PolarHBondContact O-N 2.91Å; L92-Y95 PolarHBondContact O-N 3.46Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.43Å; Y95-L98 PolarHBondContact O-N 3.45Å; Y95-V99 HydrophobicContact CD1-CG2 4.14Å; Y95-V99 HydrophobicContact CE1-CG2 3.67Å; Y95-V99 HydrophobicContact CE2-CG2 4.1Å; Y95-V99 WeakPolarHBondContact O-CG2 3.35Å; Y95-V99 PolarHBondContact O-N 3Å
96K96.3Very high94.3Very high135 Ų135103.2 Ų103.259%0.58751%0.509SS*.Hα-helixtrans-59.3-42.3175.7-178172.7-179.3177.10112L92 R93 Q94 V99 H100L92-K96 WeakPolarHBondContact O-CB 3.32Å; L92-K96 PolarHBondContact O-N 3.4Å; R93-K96 PolarHBondContact O-N 3.35Å; Q94-K96 PolarHBondContact O-N 2.89Å; K96-V99 PolarHBondContact O-N 2.93Å; K96-H100 VanDerWaalsContact CE-NE2 3.34Å; K96-H100 WeakPolarHBondContact CE-NE2 3.38Å; K96-H100 PolarHBondContact O-CD2 3.49Å; K96-H100 PolarHBondContact O-N 2.92Å
97A95.8Very high94.7Very high61 Ų61101 Ų10150%0.50450%0.502SS..Hα-helixtrans-63.1-42.2176.400000112.2R93 Q94 Y95 H100 S101R93-A97 PolarHBondContact O-N 2.99Å; Q94-A97 PolarHBondContact O-N 3.42Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.43Å; A97-H100 PolarHBondContact O-N 2.97Å; A97-S101 PolarHBondContact O-N 3.3Å
98L96.3Very high94.9Very high113 Ų11399.4 Ų99.459%0.59250%0.5SS*.Hα-helixtrans-63.1-45.6176.3-179.162.5000112Q94 Y95 H100 S101 Q102Q94-L98 PolarHBondContact O-N 3.36Å; Y95-L98 PolarHBondContact O-N 3.45Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.2Å; L98-S101 WeakPolarHBondContact O-CB 3.49Å; L98-S101 PolarHBondContact O-N 3.03Å; L98-S101 VanDerWaalsContact O-N 3.14Å; L98-Q102 PolarHBondContact O-N 3.44Å
99V96.8Very high95.1Very high60 Ų60100.5 Ų100.536%0.36451%0.508SS..Hα-helixtrans-59.9-42176171.30000111.2Y95 K96 Q102 A103Y95-V99 HydrophobicContact CD1-CG2 4.14Å; Y95-V99 HydrophobicContact CE1-CG2 3.67Å; Y95-V99 HydrophobicContact CE2-CG2 4.1Å; Y95-V99 WeakPolarHBondContact O-CG2 3.35Å; Y95-V99 PolarHBondContact O-N 3Å; K96-V99 PolarHBondContact O-N 2.93Å; V99-Q102 PolarHBondContact O-N 3.44Å; V99-A103 VanDerWaalsContact O-CB 3.31Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 3.41Å
100H94.2Very high95.3Very high118 Ų118106 Ų10655%0.54652%0.517SS..Hα-helixtrans-65.3-37.2174.4-77.4-62.3000113.1K96 A97 L98 K104K96-H100 VanDerWaalsContact CE-NE2 3.34Å; K96-H100 WeakPolarHBondContact CE-NE2 3.38Å; K96-H100 PolarHBondContact O-CD2 3.49Å; K96-H100 PolarHBondContact O-N 2.92Å; A97-H100 PolarHBondContact O-N 2.97Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.2Å; H100-K104 PolarHBondContact O-N 3.27Å
101S95Very high95.4Very high56 Ų56107.6 Ų107.639%0.39252%0.524SS..Hα-helixtrans-62.1-49.6173.5-164.90000111.2A97 L98 A103 K104 E105A97-S101 PolarHBondContact O-N 3.3Å; L98-S101 WeakPolarHBondContact O-CB 3.49Å; L98-S101 PolarHBondContact O-N 3.03Å; L98-S101 VanDerWaalsContact O-N 3.14Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.97Å; S101-K104 WeakPolarHBondContact O-CB 3.4Å; S101-K104 PolarHBondContact O-N 3.41Å; S101-K104 VanDerWaalsContact O-N 3.1Å; S101-E105 PolarHBondContact O-N 2.95Å; S101-E105 PolarHBondContact OG-OE1 3.44Å
102Q97.1Very high95.4Very high114 Ų114109.8 Ų109.853%0.53353%0.532SS..Hα-helixtrans-63.5-38.5179.5-167.9178.119.300112L98 V99 K104 E105 L106L98-Q102 PolarHBondContact O-N 3.44Å; V99-Q102 PolarHBondContact O-N 3.44Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.24Å; Q102-E105 PolarHBondContact O-N 3.02Å; Q102-L106 HydrophobicContact CG-CD1 4.49Å; Q102-L106 WeakPolarHBondContact O-CB 3.28Å; Q102-L106 WeakPolarHBondContact O-CG 3.42Å; Q102-L106 PolarHBondContact O-N 3.05Å
103A95.4Very high95.3Very high46 Ų46107.4 Ų107.438%0.3852%0.52SS..Hα-helixtrans-62.1-38.8173.700000112.1V99 S101 L106 T107V99-A103 VanDerWaalsContact O-CB 3.31Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 3.41Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.97Å; A103-L106 PolarHBondContact O-N 3.12Å; A103-T107 PolarHBondContact O-N 2.94Å; A103-T107 PolarHBondContact O-OG1 3.44Å; A103-T107 VanDerWaalsContact O-OG1 3.11Å
104K96.6Very high95.2Very high141 Ų141106.8 Ų106.861%0.61352%0.517SS*.Hα-helixtrans-65.8-44175.2-173.7179.1179.1179.90111.9H100 S101 Q102 T107 Q108H100-K104 PolarHBondContact O-N 3.27Å; S101-K104 WeakPolarHBondContact O-CB 3.4Å; S101-K104 PolarHBondContact O-N 3.41Å; S101-K104 VanDerWaalsContact O-N 3.1Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.24Å; K104-T107 PolarHBondContact O-N 3.16Å; K104-Q108 WeakPolarHBondContact O-CG 3.46Å; K104-Q108 PolarHBondContact O-N 3.43Å
105E97Very high95Very high113 Ų113106.6 Ų106.653%0.52852%0.516SS..Hα-helixtrans-61.8-42.2175.3-71.6169.3-142.800112S101 Q102 T107 Q108 L109S101-E105 PolarHBondContact O-N 2.95Å; S101-E105 PolarHBondContact OG-OE1 3.44Å; Q102-E105 PolarHBondContact O-N 3.02Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 3.29Å; E105-Q108 PolarHBondContact O-N 3.17Å; E105-L109 WeakPolarHBondContact O-CB 3.27Å; E105-L109 PolarHBondContact O-N 3.04Å
106L95.6Very high94.9Very high82 Ų82100.7 Ų100.743%0.42950%0.503SS..Hα-helixtrans-62.8-38.4175-74.2171.7000112.4Q102 A103 L109 R110Q102-L106 HydrophobicContact CG-CD1 4.49Å; Q102-L106 WeakPolarHBondContact O-CB 3.28Å; Q102-L106 WeakPolarHBondContact O-CG 3.42Å; Q102-L106 PolarHBondContact O-N 3.05Å; A103-L106 PolarHBondContact O-N 3.12Å; L106-L109 PolarHBondContact O-N 3.45Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 VanDerWaalsContact O-CG 3.27Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.18Å
107T96.2Very high94.5Very high83 Ų8397.4 Ų97.451%0.50949%0.487SS..Hα-helixtrans-64-45.7174.1-64.30000111.4A103 K104 E105 L109 R110 E111A103-T107 PolarHBondContact O-N 2.94Å; A103-T107 PolarHBondContact O-OG1 3.44Å; A103-T107 VanDerWaalsContact O-OG1 3.11Å; K104-T107 PolarHBondContact O-N 3.16Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 3.29Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 2.9Å; T107-R110 PolarHBondContact O-N 3.24Å; T107-E111 PolarHBondContact O-N 3Å
108Q96.4Very high94.2Very high95 Ų9597.6 Ų97.644%0.44448%0.479SS..Hα-helixtrans-62.3-36.1175.5-70.2178.1-13.800112.7K104 E105 E111 K112K104-Q108 WeakPolarHBondContact O-CG 3.46Å; K104-Q108 PolarHBondContact O-N 3.43Å; E105-Q108 PolarHBondContact O-N 3.17Å; Q108-E111 PolarHBondContact O-N 3.46Å; Q108-K112 WeakPolarHBondContact O-CG 3.31Å; Q108-K112 PolarHBondContact O-N 3.41Å
109L95.1Very high93.9Very high112 Ų11295 Ų9559%0.58648%0.475SS*.Hα-helixtrans-69.2-38.6175.6-175.362.3000112E105 L106 T107 L113E105-L109 WeakPolarHBondContact O-CB 3.27Å; E105-L109 PolarHBondContact O-N 3.04Å; L106-L109 PolarHBondContact O-N 3.45Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 2.9Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 3.45Å
110R93.6Very high93.5Very high170 Ų17092.3 Ų92.364%0.64246%0.458SS*.Hα-helixtrans-66.2-36174.5-75.1167.2171.7164.2-4.3112.4L106 T107 R114L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 VanDerWaalsContact O-CG 3.27Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.18Å; T107-R110 PolarHBondContact O-N 3.24Å; R110-R114 PolarHBondContact O-N 2.93Å; R110-R114 VanDerWaalsContact O-N 3.14Å
111E95.1Very high93.2Very high109 Ų10993.2 Ų93.251%0.50946%0.457SS..Hα-helixtrans-63.5-54173.1-176.6168.8-127.300110.9T107 Q108 L113 R114 E115T107-E111 PolarHBondContact O-N 3Å; Q108-E111 PolarHBondContact O-N 3.46Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.38Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.19Å; E111-R114 VanDerWaalsContact O-CB 3.24Å; E111-R114 WeakPolarHBondContact O-CB 3.29Å; E111-R114 PolarHBondContact O-N 2.76Å; E111-E115 PolarHBondContact O-N 3Å
112K94.8Very high93.1Very high140 Ų14098.9 Ų98.961%0.60947%0.47SS*.Hα-helixtrans-59.3-33.9176.4-72.5-179.2177.4-178.20114.1Q108 R114 G116Q108-K112 WeakPolarHBondContact O-CG 3.31Å; Q108-K112 PolarHBondContact O-N 3.41Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-G116 PolarHBondContact O-N 3.21Å
113L91.1Very high92.7Very high70 Ų7097.1 Ų97.137%0.36646%0.464SS..Hα-helixtrans-68.5-34.3174.8-167.9149.4000111.5L109 E111 R117L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 3.45Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.38Å; L113-R117 PolarHBondContact O-N 2.92Å
114R91.8Very high92.3Very high151 Ų15196.4 Ų96.457%0.5745%0.454SS*.Hα-helixtrans-68.3-49.1172.8-165.5-170.4-46.5-148.13.4111.3R110 E111 K112 G116 R117 D118R110-R114 PolarHBondContact O-N 2.93Å; R110-R114 VanDerWaalsContact O-N 3.14Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.19Å; E111-R114 VanDerWaalsContact O-CB 3.24Å; E111-R114 WeakPolarHBondContact O-CB 3.29Å; E111-R114 PolarHBondContact O-N 2.76Å; K112-R114 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 2.98Å; R114-R117 WeakPolarHBondContact O-CA 3.47Å; R114-R117 WeakPolarHBondContact O-CB 3.24Å; R114-R117 PolarHBondContact O-N 3.11Å; R114-R117 VanDerWaalsContact O-N 3.07Å; R114-D118 WeakPolarHBondContact O-CB 3.33Å; R114-D118 PolarHBondContact O-N 3.06Å
115E91.9Very high91.9Very high114 Ų11497 Ų9753%0.53346%0.456SS..Hα-helixtrans-54.5-42.7173.4-65.2173.2160.600111.5E111 D118 A119E111-E115 PolarHBondContact O-N 3Å; E115-D118 PolarHBondContact O-N 3.5Å; E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 2.93Å
116G90.3Very high91.5Very high32 Ų3295.5 Ų95.533%0.3345%0.449SS..Hα-helixtrans-63.5-41.617500000113.8K112 R114 S120K112-G116 PolarHBondContact O-N 3.21Å; R114-G116 PolarHBondContact O-N 2.98Å; G116-S120 WeakPolarHBondContact O-CB 3.39Å; G116-S120 PolarHBondContact O-N 3.48Å
117R88.4Confident91Very high66 Ų6692.5 Ų92.525%0.24943%0.433CS..Hα-helixtrans-58-49.1170.1-89.9-161.8-73.9-125.520.9111.2L113 R114 S120 R121 L162L113-R117 PolarHBondContact O-N 2.92Å; R114-R117 WeakPolarHBondContact O-CA 3.47Å; R114-R117 WeakPolarHBondContact O-CB 3.24Å; R114-R117 PolarHBondContact O-N 3.11Å; R114-R117 VanDerWaalsContact O-N 3.07Å; R117-S120 WeakPolarHBondContact O-CB 3.33Å; R117-S120 PolarHBondContact O-N 3.49Å; R117-S120 VanDerWaalsContact O-N 3.12Å; R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.24Å; R117-L162 WeakPolarHBondContact CD-O 3.36Å; R117-L162 HydrophobicContact CG-CB 3.46Å; R117-L162 VanDerWaalsContact CG-CB 3.46Å; R117-L162 HydrophobicContact CG-CD1 4.5Å; R117-L162 PolarHBondContact NH1-O 3.39Å
118D89.5Confident90.5Very high64 Ų6495 Ų9534%0.34244%0.437SS..Hα-helixtrans-67.9-41.4-171.4-61.9-8.4000110.7R114 E115 R121 W122R114-D118 WeakPolarHBondContact O-CB 3.33Å; R114-D118 PolarHBondContact O-N 3.06Å; E115-D118 PolarHBondContact O-N 3.5Å; D118-R121 PolarHBondContact O-N 3.41Å; D118-R121 IonicContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NE 3.71Å; D118-R121 IonicContact OD1-NH2 3.94Å; D118-R121 PolarHBondContact OD1-NH2 3.33Å; D118-W122 WeakPolarHBondContact O-CB 3.42Å; D118-W122 PolarHBondContact O-N 3.04Å
119A90.6Very high90Very high60 Ų6094.3 Ų94.350%0.49644%0.44SS..Hα-helixtrans-61.6-40.3169.800000112.5E115 W122 L123E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 2.93Å; A119-W122 PolarHBondContact O-N 3.39Å; A119-L123 WeakPolarHBondContact O-CB 3.49Å; A119-L123 PolarHBondContact O-N 3.43Å
120S87.3Confident89.3Confident3 Ų393.3 Ų93.32%0.02143%0.434CS..Hα-helixtrans-65.8-41176.6-165.40000112.4G116 R117 L123 N124 A155 L158 V159G116-S120 WeakPolarHBondContact O-CB 3.39Å; G116-S120 PolarHBondContact O-N 3.48Å; R117-S120 WeakPolarHBondContact O-CB 3.33Å; R117-S120 PolarHBondContact O-N 3.49Å; R117-S120 VanDerWaalsContact O-N 3.12Å; S120-L123 PolarHBondContact O-N 2.77Å; S120-N124 WeakPolarHBondContact O-CB 3.37Å; S120-N124 PolarHBondContact O-N 2.98Å; S120-A155 PolarHBondContact OG-O 2.98Å; S120-L158 WeakPolarHBondContact OG-CB 3.37Å; S120-L158 WeakPolarHBondContact OG-CD2 3.46Å; S120-L158 WeakPolarHBondContact OG-CG 3.24Å; S120-V159 WeakPolarHBondContact OG-CG2 3.49Å; S120-V159 PolarHBondContact OG-N 3.35Å
121R89.4Confident88.4Confident137 Ų13788.1 Ų88.152%0.51742%0.419SS..Hα-helixtrans-65.2-42174.9-69.5-173.8-61.7135.4-6.1111.4R117 D118 N124 K125 V159R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.24Å; D118-R121 PolarHBondContact O-N 3.41Å; D118-R121 IonicContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NE 3.71Å; D118-R121 IonicContact OD1-NH2 3.94Å; D118-R121 PolarHBondContact OD1-NH2 3.33Å; R121-N124 PolarHBondContact O-N 3.24Å; R121-K125 WeakPolarHBondContact O-CB 3.46Å; R121-K125 PolarHBondContact O-N 3.17Å; R121-V159 HydrophobicContact CG-CG1 4.11Å; R121-V159 HydrophobicContact CG-CG2 3.95Å
122W91.7Very high87.3Confident175 Ų17586.3 Ų86.366%0.66342%0.416SS*.Hα-helixtrans-62.6-46.4174.9-175.990.4000112.1D118 A119 K125 H126D118-W122 WeakPolarHBondContact O-CB 3.42Å; D118-W122 PolarHBondContact O-N 3.04Å; A119-W122 PolarHBondContact O-N 3.39Å; W122-K125 PolarHBondContact O-N 3.34Å; W122-H126 WeakPolarHBondContact O-CB 3.3Å; W122-H126 PolarHBondContact O-N 2.95Å
123L89.1Confident86.1Confident76 Ų7684.5 Ų84.540%0.39842%0.418SS..Hα-helixtrans-60.9-46177177.162.9000111.5A119 S120 H126 L127 A155A119-L123 WeakPolarHBondContact O-CB 3.49Å; A119-L123 PolarHBondContact O-N 3.43Å; S120-L123 PolarHBondContact O-N 2.77Å; L123-H126 PolarHBondContact O-N 3.29Å; L123-L127 HydrophobicContact CD1-CD1 3.84Å; L123-L127 HydrophobicContact CD1-CG 4.09Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.94Å; L123-A155 HydrophobicContact CD2-CB 4.25Å; L123-A155 HydrophobicContact CG-CB 4.22Å
124N86.8Confident84.8Confident32 Ų3288.4 Ų88.417%0.17144%0.439CS..Hα-helixtrans-58.2-51.3175.8170.3-99.5000111.4S120 R121 H126 L127 K128 H152 A155 E156 V159S120-N124 WeakPolarHBondContact O-CB 3.37Å; S120-N124 PolarHBondContact O-N 2.98Å; R121-N124 PolarHBondContact O-N 3.24Å; N124-H126 VanDerWaalsContact C-N 3.29Å; N124-H126 PolarHBondContact O-N 2.91Å; N124-L127 PolarHBondContact O-N 3.14Å; N124-K128 WeakPolarHBondContact O-CB 3.47Å; N124-K128 PolarHBondContact O-N 2.96Å; N124-H152 PolarHBondContact ND2-NE2 3.09Å; N124-A155 HydrophobicContact CB-CB 4.06Å; N124-E156 WeakPolarHBondContact ND2-CG 3.29Å; N124-V159 HydrophobicContact CB-CG2 4.41Å
125K89.3Confident83.2Confident154 Ų15487 Ų8767%0.6744%0.443SS*.Hα-helixtrans-57-42.8177.7-175.7170-176.7167.40111.8R121 W122 K128 T129R121-K125 WeakPolarHBondContact O-CB 3.46Å; R121-K125 PolarHBondContact O-N 3.17Å; W122-K125 PolarHBondContact O-N 3.34Å; K125-K128 PolarHBondContact O-N 3.28Å; K125-T129 PolarHBondContact O-N 2.94Å; K125-T129 PolarHBondContact O-OG1 3.34Å
126H87.9Confident81.5Confident80 Ų8086 Ų8637%0.3745%0.447SS..Hα-helixtrans-67-44.8178.9-172.141.7000112.4W122 L123 N124 K128 T129 L130W122-H126 WeakPolarHBondContact O-CB 3.3Å; W122-H126 PolarHBondContact O-N 2.95Å; L123-H126 PolarHBondContact O-N 3.29Å; N124-H126 VanDerWaalsContact C-N 3.29Å; N124-H126 PolarHBondContact O-N 2.91Å; H126-K128 VanDerWaalsContact C-N 3.29Å; H126-K128 PolarHBondContact O-N 2.91Å; H126-T129 WeakPolarHBondContact CA-OG1 3.46Å; H126-T129 PolarHBondContact O-N 2.88Å; H126-T129 PolarHBondContact O-OG1 3.38Å; H126-L130 WeakPolarHBondContact O-CG 3.43Å; H126-L130 PolarHBondContact O-N 3.07Å
127L85.1Confident79.8Confident19 Ų1989.6 Ų89.610%0.09946%0.458CS..Hα-helixtrans-62-37.5175-69.9168.8000111.7L123 N124 L130 L131 L148 H152 A155L123-L127 HydrophobicContact CD1-CD1 3.84Å; L123-L127 HydrophobicContact CD1-CG 4.09Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.94Å; N124-L127 PolarHBondContact O-N 3.14Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 WeakPolarHBondContact O-CD1 3.43Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 3.23Å; L127-L148 HydrophobicContact CD2-CD2 3.65Å; L127-H152 HydrophobicContact CB-CB 4.16Å; L127-A155 HydrophobicContact CD1-CB 4.03Å
128K84.5Confident78.4Confident135 Ų13596.1 Ų96.159%0.58749%0.488SS*.Hα-helixtrans-60.2-45.9173.7-165.3172.8-179.8177.90111N124 K125 H126 L130 L131 T132N124-K128 WeakPolarHBondContact O-CB 3.47Å; N124-K128 PolarHBondContact O-N 2.96Å; K125-K128 PolarHBondContact O-N 3.28Å; H126-K128 VanDerWaalsContact C-N 3.29Å; H126-K128 PolarHBondContact O-N 2.91Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 3.25Å; K128-L131 PolarHBondContact O-N 2.89Å; K128-T132 PolarHBondContact O-N 3.36Å; K128-T132 VanDerWaalsContact O-N 3.1Å; K128-T132 PolarHBondContact O-OG1 3.21Å
129T85.8Confident76.8Confident82 Ų8297.6 Ų97.650%0.50350%0.504SS..Hα-helixtrans-64.8-32.4175.355.90000113.9K125 H126 L131 T132K125-T129 PolarHBondContact O-N 2.94Å; K125-T129 PolarHBondContact O-OG1 3.34Å; H126-T129 WeakPolarHBondContact CA-OG1 3.46Å; H126-T129 PolarHBondContact O-N 2.88Å; H126-T129 PolarHBondContact O-OG1 3.38Å; T129-L131 VanDerWaalsContact C-N 3.31Å; T129-T132 WeakPolarHBondContact O-CB 3.5Å; T129-T132 PolarHBondContact O-N 3.46Å
130L80.5Confident75.3Confident91 Ų91101.5 Ų101.548%0.47651%0.512SS..Hα-helixtrans-75.6-20175.5-68.4173.8000113.2H126 L127 K128 L148H126-L130 WeakPolarHBondContact O-CG 3.43Å; H126-L130 PolarHBondContact O-N 3.07Å; L127-L130 PolarHBondContact O-N 2.96Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 3.25Å; L130-L148 HydrophobicContact CD1-CD2 4.21Å
131L75Confident74.3Confident60 Ų60102.8 Ų102.831%0.31453%0.526SS..Hα-helixtrans-89.3-15.2174.1-72.6163.4000112.7L127 K128 T129 L148 A149 H152L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 WeakPolarHBondContact O-CD1 3.43Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 3.23Å; K128-L131 PolarHBondContact O-N 2.89Å; T129-L131 VanDerWaalsContact C-N 3.31Å; L131-L148 HydrophobicContact CD2-CB 4.13Å; L131-A149 HydrophobicContact CD2-CB 4.08Å; L131-H152 HydrophobicContact CD1-CB 3.51Å
132T73.4Confident73.4Confident72 Ų72104.2 Ų104.244%0.44254%0.538SS..SBendtrans-64124173.1-49.20000109.8K128 T129 D134K128-T132 PolarHBondContact O-N 3.36Å; K128-T132 VanDerWaalsContact O-N 3.1Å; K128-T132 PolarHBondContact O-OG1 3.21Å; T129-T132 WeakPolarHBondContact O-CB 3.5Å; T129-T132 PolarHBondContact O-N 3.46Å; T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 3.3Å
133P68.5Low72.8Confident101 Ų101100.8 Ų100.866%0.65653%0.533SS*.  trans-85.262.1-164.434.8-38000114.1
134D63.1Low72.3Confident153 Ų153100.7 Ų100.782%0.81853%0.532SS*.  trans-84.5-7.4-174.9-90.1-17.5000116.2T132T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 3.3Å
135D58.1Low72Confident120 Ų120105 Ų10564%0.64255%0.546SS*.  trans-147.6120.2165-154.9-23.5000112.3D137 R145D135-D137 VanDerWaalsContact C-N 3.26Å; D135-D137 PolarHBondContact O-N 3.45Å; D135-R145 PolarHBondContact O-NH2 3.21Å
136P58.1Low71.6Confident95 Ų95104.1 Ų104.162%0.61755%0.545SS*.  trans-86.151.7176.637.4-37.7000112.2K138P136-K138 VanDerWaalsContact O-CG 3.23Å; P136-K138 WeakPolarHBondContact O-CG 3.34Å; P136-K138 PolarHBondContact O-N 3.21Å
137D54.2Low71.5Confident106 Ų106105 Ų10557%0.56755%0.549SS*.  trans-72.996.6166.8-158-25.9000109.4D135 S139D135-D137 VanDerWaalsContact C-N 3.26Å; D135-D137 PolarHBondContact O-N 3.45Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact OD1-OG 2.89Å
138K57.9Low71.5Confident203 Ų203106.8 Ų106.888%0.88356%0.558SS**THydrogen-bonded Turntrans-70.515.6-166.3-54.9-176.5-179.9173.30114.5P136P136-K138 VanDerWaalsContact O-CG 3.23Å; P136-K138 WeakPolarHBondContact O-CG 3.34Å; P136-K138 PolarHBondContact O-N 3.21Å
139S57.3Low71.4Confident95 Ų95102.2 Ų102.266%0.66455%0.546SS*.THydrogen-bonded Turntrans-108.3-23.7-171.961.90000113.7D137 G141D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact OD1-OG 2.89Å; S139-G141 PolarHBondContact O-N 2.78Å; S139-G141 VanDerWaalsContact O-N 3.13Å
140Q58.3Low71.5Confident142 Ų142103.2 Ų103.266%0.66455%0.545SS*.SBendtrans-8787.1179.5-167.3162.6-7.300112.1L144Q140-L144 HydrophobicContact CG-CD1 3.89Å
141G65.6Low71.8Confident31 Ų31100 Ų10032%0.3253%0.533SS..  trans38.1101.8156.800000117.7S139 D143 L144 R145S139-G141 PolarHBondContact O-N 2.78Å; S139-G141 VanDerWaalsContact O-N 3.13Å; G141-D143 PolarHBondContact O-N 3Å; G141-L144 WeakPolarHBondContact O-CB 3.42Å; G141-L144 PolarHBondContact O-N 3.06Å; G141-R145 PolarHBondContact O-N 3.17Å
142Q72.4Confident72.3Confident167 Ų16798.2 Ų98.278%0.7852%0.523SS*.Hα-helixtrans-56.5-34.3169.6-172.1158.4-1600112.4L144 R145 E146Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.12Å; Q142-R145 PolarHBondContact O-N 3.28Å; Q142-E146 WeakPolarHBondContact O-CB 3.39Å; Q142-E146 PolarHBondContact O-N 3.45Å
143D77.6Confident73.1Confident102 Ų102102.4 Ų102.455%0.54553%0.531SS..Hα-helixtrans-55.7-40.5169.6177.557.2000113.3G141 E146 Q147G141-D143 PolarHBondContact O-N 3Å; D143-E146 PolarHBondContact O-N 3.47Å; D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.21Å; D143-Q147 PolarHBondContact O-N 3.19Å; D143-Q147 PolarHBondContact OD1-NE2 3.49Å; D143-Q147 PolarHBondContact OD2-NE2 3.35Å
144L78.5Confident74Confident74 Ų74102.7 Ų102.739%0.38753%0.526SS..Hα-helixtrans-70.1-35.7176.4-66172.3000112.1Q140 G141 Q142 L148Q140-L144 HydrophobicContact CG-CD1 3.89Å; G141-L144 WeakPolarHBondContact O-CB 3.42Å; G141-L144 PolarHBondContact O-N 3.06Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.12Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.29Å
145R80.4Confident75.2Confident122 Ų12295.6 Ų95.646%0.4649%0.489SS..Hα-helixtrans-68.6-38.6174.3-67.6-172.4-178.7-123.31.8111.4D135 G141 Q142 L148 A149D135-R145 PolarHBondContact O-NH2 3.21Å; G141-R145 PolarHBondContact O-N 3.17Å; Q142-R145 PolarHBondContact O-N 3.28Å; R145-L148 PolarHBondContact O-N 3.25Å; R145-A149 WeakPolarHBondContact O-CB 3.36Å; R145-A149 PolarHBondContact O-N 3.49Å
146E82.7Confident76.4Confident137 Ų13793.4 Ų93.464%0.6448%0.475SS*.Hα-helixtrans-66.5-43.1175.4-169.1162-163.600111.5Q142 D143 L148 A149 E150Q142-E146 WeakPolarHBondContact O-CB 3.39Å; Q142-E146 PolarHBondContact O-N 3.45Å; D143-E146 PolarHBondContact O-N 3.47Å; E146-L148 PolarHBondContact O-N 2.93Å; E146-A149 PolarHBondContact O-N 2.62Å; E146-E150 WeakPolarHBondContact O-CB 3.44Å; E146-E150 PolarHBondContact O-N 2.83Å
147Q85Confident77.8Confident99 Ų9994.6 Ų94.646%0.46347%0.472SS..Hα-helixtrans-62.6-38.8172.6-72.7166.621.200112.9D143 G151D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.21Å; D143-Q147 PolarHBondContact O-N 3.19Å; D143-Q147 PolarHBondContact OD1-NE2 3.49Å; D143-Q147 PolarHBondContact OD2-NE2 3.35Å; Q147-G151 PolarHBondContact O-N 2.96Å
148L84.6Confident79.3Confident56 Ų5693.3 Ų93.329%0.29347%0.465SS..Hα-helixtrans-66.6-40173.7-78.1166000112.1L127 L130 L131 L144 R145 E146 G151 H152L127-L148 HydrophobicContact CD2-CD2 3.65Å; L130-L148 HydrophobicContact CD1-CD2 4.21Å; L131-L148 HydrophobicContact CD2-CB 4.13Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.29Å; R145-L148 PolarHBondContact O-N 3.25Å; E146-L148 PolarHBondContact O-N 2.93Å; L148-G151 PolarHBondContact O-N 3.29Å; L148-H152 WeakPolarHBondContact O-CB 3.35Å; L148-H152 PolarHBondContact O-N 3.27Å
149A83.4Confident80.6Confident39 Ų3985 Ų8532%0.32243%0.431SS..Hα-helixtrans-68.4-38.3176.700000112.5L131 R145 E146 H152 R153L131-A149 HydrophobicContact CD2-CB 4.08Å; R145-A149 WeakPolarHBondContact O-CB 3.36Å; R145-A149 PolarHBondContact O-N 3.49Å; E146-A149 PolarHBondContact O-N 2.62Å; A149-H152 PolarHBondContact O-N 3.39Å; A149-R153 PolarHBondContact O-N 3.02Å; A149-R153 VanDerWaalsContact O-N 3.08Å
150E87.1Confident81.9Confident103 Ų10386.9 Ų86.948%0.48143%0.429SS..Hα-helixtrans-66.5-43.4171.3-176.4164.1-13700111.4E146 H152 R153 L154E146-E150 WeakPolarHBondContact O-CB 3.44Å; E146-E150 PolarHBondContact O-N 2.83Å; E150-H152 VanDerWaalsContact C-N 3.29Å; E150-H152 PolarHBondContact O-N 2.68Å; E150-R153 PolarHBondContact O-N 2.79Å; E150-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 HydrophobicContact CG-CG 4.5Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 3.3Å
151G87.6Confident83.1Confident23 Ų2386.7 Ų86.724%0.23743%0.426CS..Hα-helixtrans-56.4-41.7172.400000112.7Q147 L148 L154 A155Q147-G151 PolarHBondContact O-N 2.96Å; L148-G151 PolarHBondContact O-N 3.29Å; G151-L154 PolarHBondContact O-N 3.11Å; G151-A155 WeakPolarHBondContact O-CB 3.44Å; G151-A155 PolarHBondContact O-N 2.93Å
152H85.9Confident83.9Confident23 Ų2387.3 Ų87.311%0.10642%0.422CS..Hα-helixtrans-62.8-50.6176-178-91.6000111.6N124 L127 L131 L148 A149 E150 L154 A155 E156N124-H152 PolarHBondContact ND2-NE2 3.09Å; L127-H152 HydrophobicContact CB-CB 4.16Å; L131-H152 HydrophobicContact CD1-CB 3.51Å; L148-H152 WeakPolarHBondContact O-CB 3.35Å; L148-H152 PolarHBondContact O-N 3.27Å; A149-H152 PolarHBondContact O-N 3.39Å; E150-H152 VanDerWaalsContact C-N 3.29Å; E150-H152 PolarHBondContact O-N 2.68Å; H152-L154 VanDerWaalsContact C-N 3.25Å; H152-L154 PolarHBondContact O-N 3.47Å; H152-A155 PolarHBondContact O-N 2.89Å; H152-A155 VanDerWaalsContact O-N 3.08Å; H152-E156 IonicContact CE1-OE1 3.55Å; H152-E156 PolarHBondContact CE1-OE1 2.93Å; H152-E156 IonicContact CE1-OE2 2.68Å; H152-E156 PolarHBondContact CE1-OE2 3.12Å; H152-E156 IonicContact ND1-OE1 3.5Å; H152-E156 IonicContact ND1-OE2 3.61Å; H152-E156 PolarHBondContact ND1-OE2 2.86Å; H152-E156 WeakPolarHBondContact O-CG 3.23Å; H152-E156 PolarHBondContact O-N 3.43Å
153R88.9Confident84.2Confident159 Ų15982 Ų8260%0.640%0.403SS*.Hα-helixtrans-56.3-38.9175.5-79.1171.354.3-121.6-6112.5A149 E150 H157A149-R153 PolarHBondContact O-N 3.02Å; A149-R153 VanDerWaalsContact O-N 3.08Å; E150-R153 PolarHBondContact O-N 2.79Å; R153-H157 WeakPolarHBondContact O-CB 3.46Å; R153-H157 PolarHBondContact O-N 3.45Å
154L88.3Confident83.5Confident107 Ų10781.6 Ų81.656%0.5641%0.406SS*.Hα-helixtrans-69.9-39.1176.5-69.9172.8000112.1E150 G151 H152 H157 L158E150-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 HydrophobicContact CG-CG 4.5Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 3.3Å; G151-L154 PolarHBondContact O-N 3.11Å; H152-L154 VanDerWaalsContact C-N 3.25Å; H152-L154 PolarHBondContact O-N 3.47Å; L154-H157 PolarHBondContact O-N 3.17Å; L154-L158 WeakPolarHBondContact O-CB 3.35Å; L154-L158 PolarHBondContact O-N 3.03Å
155A86.8Confident82.3Confident4 Ų486.5 Ų86.53%0.03343%0.427CS..Hα-helixtrans-67.2-41.4175.100000112.1S120 L123 N124 L127 G151 H152 L158 V159S120-A155 PolarHBondContact OG-O 2.98Å; L123-A155 HydrophobicContact CD2-CB 4.25Å; L123-A155 HydrophobicContact CG-CB 4.22Å; N124-A155 HydrophobicContact CB-CB 4.06Å; L127-A155 HydrophobicContact CD1-CB 4.03Å; G151-A155 WeakPolarHBondContact O-CB 3.44Å; G151-A155 PolarHBondContact O-N 2.93Å; H152-A155 PolarHBondContact O-N 2.89Å; H152-A155 VanDerWaalsContact O-N 3.08Å; A155-L158 PolarHBondContact O-N 3.42Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.37Å
156E84.7Confident80.6Confident75 Ų7587.5 Ų87.535%0.3544%0.441SS..Hα-helixtrans-57.8-50.5170.9-71.7-180131.400110.8N124 H152 L158 V159 H160N124-E156 WeakPolarHBondContact ND2-CG 3.29Å; H152-E156 IonicContact CE1-OE1 3.55Å; H152-E156 PolarHBondContact CE1-OE1 2.93Å; H152-E156 IonicContact CE1-OE2 2.68Å; H152-E156 PolarHBondContact CE1-OE2 3.12Å; H152-E156 IonicContact ND1-OE1 3.5Å; H152-E156 IonicContact ND1-OE2 3.61Å; H152-E156 PolarHBondContact ND1-OE2 2.86Å; H152-E156 WeakPolarHBondContact O-CG 3.23Å; H152-E156 PolarHBondContact O-N 3.43Å; E156-L158 PolarHBondContact O-N 3.44Å; E156-V159 PolarHBondContact O-N 3.02Å; E156-V159 VanDerWaalsContact O-N 3.1Å; E156-H160 PolarHBondContact O-N 3.19Å; E156-H160 PolarHBondContact O-ND1 3.44Å
157H86.9Confident79Confident120 Ų12088.2 Ų88.256%0.55645%0.449SS*.Hα-helixtrans-62-30.6180-167.645.9000112.7R153 L154 K161R153-H157 WeakPolarHBondContact O-CB 3.46Å; R153-H157 PolarHBondContact O-N 3.45Å; L154-H157 PolarHBondContact O-N 3.17Å; H157-K161 PolarHBondContact CD2-NZ 3.48Å; H157-K161 VanDerWaalsContact CD2-NZ 3.3Å; H157-K161 WeakPolarHBondContact O-CB 3.43Å; H157-K161 VanDerWaalsContact O-CG 3.3Å; H157-K161 WeakPolarHBondContact O-CG 3.5Å; H157-K161 PolarHBondContact O-N 3.4Å
158L86.6Confident77.3Confident79 Ų7992.6 Ų92.641%0.41447%0.47SS..Hα-helixtrans-73.3-39.4173.7-174.662.3000112.2S120 L154 A155 E156 K161 L162S120-L158 WeakPolarHBondContact OG-CB 3.37Å; S120-L158 WeakPolarHBondContact OG-CD2 3.46Å; S120-L158 WeakPolarHBondContact OG-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CB 3.35Å; L154-L158 PolarHBondContact O-N 3.03Å; A155-L158 PolarHBondContact O-N 3.42Å; E156-L158 PolarHBondContact O-N 3.44Å; L158-K161 PolarHBondContact O-N 2.95Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CG 4.08Å; L158-L162 HydrophobicContact CG-CD1 3.84Å; L158-L162 HydrophobicContact CG-CG 4.46Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 2.94Å; L158-L162 VanDerWaalsContact O-N 3.17Å
159V85.4Confident75.4Confident29 Ų2997.3 Ų97.318%0.17650%0.495CS..Hα-helixtrans-58.3-54.4172.2172.80000110S120 R121 N124 A155 E156 K161 L162 S163S120-V159 WeakPolarHBondContact OG-CG2 3.49Å; S120-V159 PolarHBondContact OG-N 3.35Å; R121-V159 HydrophobicContact CG-CG1 4.11Å; R121-V159 HydrophobicContact CG-CG2 3.95Å; N124-V159 HydrophobicContact CB-CG2 4.41Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.37Å; E156-V159 PolarHBondContact O-N 3.02Å; E156-V159 VanDerWaalsContact O-N 3.1Å; V159-K161 VanDerWaalsContact C-N 3.3Å; V159-K161 PolarHBondContact O-N 3.4Å; V159-L162 PolarHBondContact O-N 3.1Å; V159-S163 PolarHBondContact O-N 2.88Å; V159-S163 PolarHBondContact O-OG 2.92Å
160H82.9Confident74Confident133 Ų133104.6 Ų104.662%0.61652%0.523SS*.Hα-helixtrans-58.2-38-178.8-68.985.1000113.1E156 L162E156-H160 PolarHBondContact O-N 3.19Å; E156-H160 PolarHBondContact O-ND1 3.44Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 3.1Å
161K84.8Confident72.1Confident138 Ų138106.8 Ų106.860%0.654%0.538SS*.Hα-helixtrans-72.5-21.6177-79179.1-174.7170.50115.1H157 L158 V159H157-K161 PolarHBondContact CD2-NZ 3.48Å; H157-K161 VanDerWaalsContact CD2-NZ 3.3Å; H157-K161 WeakPolarHBondContact O-CB 3.43Å; H157-K161 VanDerWaalsContact O-CG 3.3Å; H157-K161 WeakPolarHBondContact O-CG 3.5Å; H157-K161 PolarHBondContact O-N 3.4Å; L158-K161 PolarHBondContact O-N 2.95Å; V159-K161 VanDerWaalsContact C-N 3.3Å; V159-K161 PolarHBondContact O-N 3.4Å
162L80.8Confident70.5Confident44 Ų44115 Ų11523%0.2357%0.57CS.*Hα-helixtrans-101.2-20.9-177.7-65.6176.6000112R117 L158 V159 H160R117-L162 WeakPolarHBondContact CD-O 3.36Å; R117-L162 HydrophobicContact CG-CB 3.46Å; R117-L162 VanDerWaalsContact CG-CB 3.46Å; R117-L162 HydrophobicContact CG-CD1 4.5Å; R117-L162 PolarHBondContact NH1-O 3.39Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CG 4.08Å; L158-L162 HydrophobicContact CG-CD1 3.84Å; L158-L162 HydrophobicContact CG-CG 4.46Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 2.94Å; L158-L162 VanDerWaalsContact O-N 3.17Å; V159-L162 PolarHBondContact O-N 3.1Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 3.1Å
163S80.4Confident68.8Low56 Ų56121.9 Ų121.939%0.39261%0.608SS.*SBendtrans-53.6145.2164.3-70.90000110.8V159 E165V159-S163 PolarHBondContact O-N 2.88Å; V159-S163 PolarHBondContact O-OG 2.92Å; S163-E165 PolarHBondContact O-N 3.07Å
164P62.7Low67.4Low94 Ų94122.6 Ų122.661%0.6162%0.618SS**  trans-70.6124172.831-29000108.7N166P164-N166 VanDerWaalsContact C-N 3.26Å; P164-N166 PolarHBondContact O-N 3.12Å
165E52.3Low65.5Low177 Ų177124.4 Ų124.483%0.82763%0.628SS**  trans-7684.3169.4-169.5169.5-154.600107.9S163S163-E165 PolarHBondContact O-N 3.07Å
166N45Very low63.4Low142 Ų142131 Ų13176%0.75966%0.663SS**  trans-146.5104.1174.6-115.437.6000106.5P164 E168P164-N166 VanDerWaalsContact C-N 3.26Å; P164-N166 PolarHBondContact O-N 3.12Å; N166-E168 PolarHBondContact O-N 2.68Å
167D49.5Very low61.6Low152 Ų152137.2 Ų137.281%0.81369%0.689SS**  trans-71.887.7-178.6-50-83.4000111.9
168E48.2Very low59.3Low191 Ų191139 Ų13989%0.89370%0.702SS**  trans-143.460.2156.2-72-163.2-173.700109.7N166 E170N166-E168 PolarHBondContact O-N 2.68Å; E168-E170 PolarHBondContact O-N 3.46Å
169D45Very low57.5Low155 Ų155144 Ų14483%0.82972%0.724SS**  trans-76.673.3168.2-66.5-36.8000109.9
170E54.1Low55.4Low192 Ų192151.5 Ų151.590%0.89776%0.757SS**  trans-94.774.1150.9-80.4-165.7-173.300108.6E168E168-E170 PolarHBondContact O-N 3.46Å
171D48.2Very low53.6Low149 Ų149150.5 Ų150.580%0.79776%0.76SS**  trans-127.3124.1161.6-90.4-44000108.4D173D171-D173 PolarHBondContact O-N 3.04Å; D171-D173 VanDerWaalsContact O-N 3.16Å
172E54.1Low51.3Low195 Ų195152.8 Ų152.891%0.91177%0.772SS**  trans-76.294.7-176.6-64.1174.7140.300111E174E172-E174 PolarHBondContact O-N 3.38Å
173D48.9Very low49.5Very low168 Ų168159.3 Ų159.390%0.89880%0.799SS**  trans-76.871.1160.8-82.7-25000109.9D171 D175D171-D173 PolarHBondContact O-N 3.04Å; D171-D173 VanDerWaalsContact O-N 3.16Å; D173-D175 PolarHBondContact O-N 2.93Å
174E59.6Low47.3Very low175 Ų175162.5 Ų162.582%0.81882%0.816SS**  trans-74.2107.2146.5-82.4-152.9169.200107.8E172E172-E174 PolarHBondContact O-N 3.38Å
175D49.1Very low45.8Very low144 Ų144166.3 Ų166.377%0.7783%0.826SS**  -166.8151.5127-99.5-27.6000112.5D173D173-D175 PolarHBondContact O-N 2.93Å
176D42.3Very low44.7Very low144 Ų144166 Ų16677%0.7782%0.824SS**  trans59.489166.7-62.3-27.2000119.1
177K47.1Very low44.1Very low205 Ų205163.4 Ų163.489%0.89182%0.817SS**  trans-76.3115.8151.8-63.2-159.3-179.2-164.30110.7
178D39Very low43.6Very low157 Ų157162.3 Ų162.384%0.8482%0.818SS**  trans-110.1110.9158.6-85.4-38.9000111.2E180D178-E180 PolarHBondContact O-N 3.36Å
179E47.9Very low42.7Very low185 Ų185157.4 Ų157.486%0.86481%0.811SS**  trans-76.592.8165.7-68.5-172.9155.700109.8V181E179-V181 HydrophobicContact CB-CG2 4.45Å
180E41.9Very low42.4Very low185 Ų185155.5 Ų155.586%0.86481%0.806SS**  trans-93.2100.3163.2-163.7166.1-156.500111.3D178D178-E180 PolarHBondContact O-N 3.36Å
181V44.1Very low41.3Very low112 Ų112157.4 Ų157.468%0.67981%0.805SS**  trans-97.9105.2177.3-170.40000109.3E179E179-V181 HydrophobicContact CB-CG2 4.45Å
182E36.6Very low40.4Very low186 Ų186159 Ų15987%0.86981%0.808SS**  trans-130.9147.7159.2-131.6-172.4-179.800114.7
183K42.7Very low39.2Very low181 Ų181155 Ų15579%0.78780%0.797SS**  trans-109163.9-166.5-59.8167.3179.7168.20110.2
184V35Very low38.4Very low124 Ų124154.4 Ų154.475%0.75279%0.789SS**  trans160.7109144.4150.10000107
185Q31.2Very low37.1Very low174 Ų174154 Ų15481%0.81378%0.784SS**  56.5134.596.4-66.8177.49.200113.7
186E29.8Very low36.1Very low171 Ų171152.1 Ų152.180%0.79978%0.778SS**  cis-153.4162.39.2-91.1-142.68400109.4
187S32.2Very low35.8Very low87 Ų87153.3 Ų153.361%0.60878%0.779SS**  cis-153-92.8-14.8-105.10000116
188P37.9Very low34.9Very low128 Ų128150.5 Ų150.583%0.83177%0.769SS**  -113.8151.9-12836.8-25.5000117.8
189A30.9Very low34.6Very low89 Ų89150 Ų15074%0.73676%0.76SS**  trans-77.5-178.9177.100000113.8
190P38.3Very low33.6Very low114 Ų114148.3 Ų148.374%0.7475%0.752SS**  -144.914089.336.4-20.6000117
191R31.5Very low33.1Very low232 Ų232145.8 Ų145.888%0.87575%0.748SS**  trans49.9130138-60.4179176.5-178.9-1.8118.7
192E28.7Very low33.7Very low183 Ų183145 Ų14586%0.85575%0.745SS**  -152.8138.881.5-96.1-168.5127.100115.1
193V29.3Very low33.4Very low112 Ų112143.8 Ų143.868%0.67974%0.74SS**  trans11127.5148.8-81.30000118.2
194Q30.9Very low32.7Very low154 Ų154141.2 Ų141.272%0.7274%0.735SS**  cis-171.3179.336.8-108.7171.6104.100108.1
195K32.5Very low32.6Very low168 Ų168141.1 Ų141.173%0.7374%0.739SS**  cis-154.6-1678.5-139.6178.9178.7170.40112.9
196T28.6Very low32.6Very low103 Ų103140.3 Ų140.363%0.63274%0.74SS**  trans-69.6162.7165.652.90000113.2
197E34.7Very low32.6Very low169 Ų169139.6 Ų139.679%0.7974%0.737SS**  cis-131.1148.525.1-75.8161.778.300110.5
198E29.7Very low32.4Very low147 Ų147143.2 Ų143.269%0.68774%0.744SS**  48.8136.476.1-67.4-160.1122.800114.5
199K32Very low32Very low147 Ų147142.2 Ų142.264%0.63974%0.738SS**  cis-165.7146.5-6.4-114.4179.6175.9155.90109
200E28.1Very low31.9Very low149 Ų149142.1 Ų142.170%0.69674%0.738SS**  62.7105.4101.1-149.6172.2-172.700113.7
201V31.1Very low31.6Very low132 Ų132142.9 Ų142.980%0.874%0.74SS**  73.5143.265.1174.60000112.2
202P55.9Low31.4Very low94 Ų94138.4 Ų138.461%0.6174%0.739SS**  cis-138.3-153.8-40.641-19.6000112.5
203Q30.6Very low31.4Very low162 Ų162135 Ų13576%0.75773%0.734SS**  trans67156.4154.5-77.7-179.3-42.400118.3
204D27.2Very low31.5Very low127 Ų127135.4 Ų135.468%0.67974%0.742SS**  cis-140.5168.7-12.5-79.1-47.6000105.6
205S32.8Very low31.5Very low121 Ų121135.8 Ų135.885%0.84675%0.749SS**  165.4167.770.337.50000111.8
206L32.5Very low31.4Very low158 Ų158133.4 Ų133.483%0.82775%0.753SS**  trans-66.4168.9-168.1-66.6156.5000119
207E29.1Very low31.5Very low156 Ų156137 Ų13773%0.72976%0.763SS**  trans93.4141135.2-133.766.2-143.800122.7
208E28Very low31.8Very low162 Ų162135.7 Ų135.776%0.75776%0.761SS**  trans88.3106140.8-108.5-170.9132.400123.9
209C30.3Very low32.3Very low107 Ų107134.1 Ų134.172%0.72376%0.763SS**  63.9116128.3-77.30000123.8
210A28.1Very low32.4Very low87 Ų87132.1 Ų132.172%0.71977%0.768SS**  78.4111.8118.700000122
211V32.2Very low32.4Very low130 Ų130133 Ų13379%0.78878%0.778SS**  trans44.2110131.3-161.50000118.8
212T26.9Very low32.5Very low138 Ų138130.8 Ų130.885%0.84777%0.767SS**  -176.5152.3111.824.70000114.4
213C29.1Very low31.3Very low111 Ų111133.6 Ų133.675%0.7578%0.777SS**  trans-52.9153.3179.7-42.90000116.3
214S30.5Very low31.7Very low121 Ų121132.5 Ų132.585%0.84677%0.772SS**  177.6142.1101.3-77.30000117
215N30.8Very low32.2Very low162 Ų162132.8 Ų132.887%0.86678%0.781SS**  trans-31.3144.9167.3-68.6-29.6000119.8
216S31.1Very low32Very low118 Ų118134.2 Ų134.283%0.82577%0.774SS**  -177.7154.7112.261.20000108.7
217H31.5Very low31.9Very low180 Ų180138.4 Ų138.483%0.83378%0.779SS**  cis-153.3145.51.2-170.751.7000108.1
218N39.3Very low32.1Very low141 Ų141136.9 Ų136.975%0.75479%0.786SS**  trans-103.6155.5174-111.3-14.8000109.3
219P42.1Very low32.2Very low114 Ų114135.5 Ų135.574%0.7479%0.788SS**  -148.9136.298.535.4-17.3000117.4
220S33.5Very low32.3Very low104 Ų104138.9 Ų138.973%0.72779%0.791SS**  trans41.7127.6133.3-56.40000121.7
221N28.3Very low32.6Very low169 Ų169142.8 Ų142.890%0.90480%0.798SS**  -149155.593.7-123.5-21.9000114.8
222S32.5Very low32.5Very low84 Ų84141.3 Ų141.359%0.58779%0.789SS**  trans-100.7153.3-164.9172.10000112.7
223N31.5Very low32.7Very low153 Ų153145 Ų14582%0.81879%0.794SS**  175.2120.8111.9-81.5-25.9000114.2
224Q37.9Very low32.8Very low140 Ų140149.2 Ų149.265%0.65480%0.799SS**  trans-70177.2152.1-73.7-176.9-52.800110.8H226Q224-H226 PolarHBondContact NE2-CD2 3.02Å; Q224-H226 PolarHBondContact NE2-NE2 2.99Å; Q224-H226 PolarHBondContact OE1-CD2 3.23Å; Q224-H226 PolarHBondContact OE1-NE2 3.18Å
225P37.7Very low32.9Very low132 Ų132152.4 Ų152.486%0.85780%0.801SS**  -129.9134.9118.935.5-28.7000114.5
226H29.5Very low33Very low152 Ų152152.8 Ų152.870%0.70480%0.797SS**  trans-89.5136157.6-81.2-76.1000110.2Q224Q224-H226 PolarHBondContact NE2-CD2 3.02Å; Q224-H226 PolarHBondContact NE2-NE2 2.99Å; Q224-H226 PolarHBondContact OE1-CD2 3.23Å; Q224-H226 PolarHBondContact OE1-NE2 3.18Å
227R29.9Very low33.2Very low245 Ų245155.2 Ų155.293%0.92580%0.795SS**  trans-164.8102.5144.6-115.7-177.8-176.2-1441.1111.9
228S32.7Very low33.1Very low125 Ų125152 Ų15287%0.87479%0.789SS**  trans-135128.9163.6-55.10000108.5K230S228-K230 PolarHBondContact O-N 3.4Å
229T31.6Very low32.5Very low132 Ų132152.2 Ų152.281%0.8179%0.789SS**  trans-84.7113-166.8-55.20000112.1I231T229-I231 PolarHBondContact O-N 3.24Å
230K31.2Very low32Very low179 Ų179152.1 Ų152.178%0.77879%0.791SS**  trans-2.5105.9146.4-169.8-178.1-170.9-179.90116S228S228-K230 PolarHBondContact O-N 3.4Å
231I35.2Very low31.7Very low168 Ų168151.6 Ų151.686%0.86279%0.793SS**  trans-129.8119.9150.5-46.5177.4000106.8T229T229-I231 PolarHBondContact O-N 3.24Å
232T30.2Very low32Very low100 Ų100151.3 Ų151.361%0.61379%0.791SS**  trans-114.4129.2177.948.40000109.1
233F29.7Very low31.7Very low215 Ų215154 Ų15494%0.94380%0.803SS**  trans-148.9154.8139.4-95.9-68.3000110
234K31.6Very low31.7Very low199 Ų199152.4 Ų152.487%0.86580%0.799SS**  trans-84.2159.6-161.5-73.2-179.3168.2-171.80113.9
235E34.1Very low31.2Very low188 Ų188153.9 Ų153.988%0.87981%0.806SS**  trans-57155.3166.5-63.7143.6124.900113.4
236H31.1Very low30.8Very low171 Ų171153.3 Ų153.379%0.79281%0.805SS**  trans-134.6107.4147.6-178.2-77.6000108.9
237E35.7Very low30.8Very low168 Ų168155.3 Ų155.379%0.78582%0.815SS**  trans-63.8137.8169.2174.1-179.2-147.400111.5
238V30Very low31Very low114 Ų114151.7 Ų151.769%0.69181%0.808SS**  trans-178.2124135.7-89.90000112.7
239D26.8Very low31.4Very low144 Ų144151.4 Ų151.477%0.7780%0.803SS**  trans14.2127140.7-55-35000122.2
240S31.4Very low31.2Very low112 Ų112152.1 Ų152.178%0.78380%0.797SS**  167.2112.7115.4-70.60000108.2
241A28Very low31.1Very low93 Ų93149.3 Ų149.377%0.76979%0.791SS**  5496.667.500000113.2
242L33.6Very low31.1Very low164 Ų164149.7 Ų149.786%0.85979%0.789SS**  trans173.997.2135.7-93.6168.3000109.5
243V27.1Very low31.1Very low139 Ų139153.7 Ų153.784%0.84280%0.801SS**  trans-81.7126.5158170.40000106.6
244V31.1Very low31.3Very low120 Ų120152.3 Ų152.373%0.72780%0.797SS**  trans-105.2126167.2166.90000107.8
245E27.9Very low31.6Very low171 Ų171151.3 Ų151.380%0.79980%0.795SS**  trans-63.3151.2173.8-59.7162.7143.800111.1
246S27.7Very low31.3Very low121 Ų121146.7 Ų146.785%0.84679%0.79SS**  trans-15589.7155.3-73.40000108.4
247E30.6Very low31.6Very low194 Ų194146 Ų14691%0.90779%0.791SS**  trans-75170.7168.3-73-165.3139.900112
248H34.3Very low31.3Very low168 Ų168145.4 Ų145.478%0.77879%0.793SS**  trans-56.8164.2-175.5-121.159.7000115.4
249P41Very low31.3Very low119 Ų119147.1 Ų147.177%0.77380%0.797SS**  -145.4169.389.438.1-21.1000117.8
250H27.9Very low31.8Very low147 Ų147145.7 Ų145.768%0.68180%0.796SS**  trans-36163.2152.2-94.6-111.1000114.4
251D28.6Very low32.3Very low121 Ų121146.3 Ų146.365%0.64780%0.797SS**  cis-157.8175.631.9-124.3-34.4000114.1
252E35.6Very low32.5Very low175 Ų175149.2 Ų149.282%0.81880%0.795SS**  trans-1149161.7-64.7172.617400123.4
253E29.8Very low32.3Very low185 Ų185149.2 Ų149.286%0.86480%0.795SS**  153.6120.1119.2-161.6168.1-153.100116.7
254E32.8Very low32.5Very low186 Ų186149.2 Ų149.287%0.86979%0.786SS**  trans46.9153.6153-63.5-139.2145.400128.6
255E38.5Very low32.5Very low177 Ų177150.6 Ų150.683%0.82779%0.79SS**  trans-77.9155173.3-62179.499.200114.1
256A28.7Very low32.7Very low92 Ų92148.7 Ų148.776%0.7679%0.785SS**  trans-149.6116.5152.100000112.8
257L35.8Very low32.9Very low156 Ų156151.1 Ų151.182%0.81778%0.782SS**  trans-75.8142.2168.3-69.3166.1000110.7
258N29.1Very low33.1Very low155 Ų155149.8 Ų149.883%0.82978%0.776SS**  trans-135.6119.7164.8-89.1-76.7000111.4
259I31.4Very low33.2Very low151 Ų151150 Ų15077%0.77478%0.777SS**  trans-104.9132.6175.8-59.4171.7000107.6
260P37.3Very low32.9Very low114 Ų114151.5 Ų151.574%0.7477%0.774SS**PPolyproline II helixtrans-78.1138.7171.831.8-32.7000111
261P41Very low33Very low125 Ų125152.9 Ų152.981%0.81278%0.781SS**PPolyproline II helixtrans-84.6147.1-17232.8-35.6000114.3
262E32Very low33Very low154 Ų154150.5 Ų150.572%0.7279%0.785SS**PPolyproline II helixtrans-68148164.2-174.2-175.5167.100110.9Q264E262-Q264 PolarHBondContact OE1-NE2 2.91Å
263N29.3Very low32.8Very low163 Ų163152.4 Ų152.487%0.87279%0.791SS**  trans-149.2131.8164.5-145.75.2000110.9
264Q32.3Very low32.9Very low139 Ų139147.4 Ų147.465%0.6578%0.781SS**  trans-102.3163.8-173.4-60.1175.2-2.100111E262E262-Q264 PolarHBondContact OE1-NE2 2.91Å
265N30.1Very low33Very low150 Ų150145 Ų14580%0.80278%0.781SS**  trans167.1101.4142.1-85-44000113.2
266D32.9Very low32.6Very low131 Ų131142.3 Ų142.370%0.70178%0.777SS**  trans40.4146.8131-54.5-15.6000127.1
267H31.3Very low33.7Very low171 Ų171143.1 Ų143.179%0.79277%0.774SS**  trans100.596.2147.9-69.4-53.9000123.5
268E35.8Very low34Very low166 Ų166141.2 Ų141.278%0.77677%0.771SS**  44.6144.3117.1-63.5-70.4-177.700125.6
269E36Very low34.2Very low172 Ų172144.6 Ų144.680%0.80477%0.772SS**  trans62.5151.5158.1-73.2-175.3163.900120.3
270E34.2Very low34Very low151 Ų151144 Ų14471%0.70677%0.771SS**  cis-156170.50.7-140.8-150.8161.900114
271E31.3Very low33.7Very low177 Ų177148.5 Ų148.583%0.82777%0.773SS**  trans37.9145.5150.8-104.3-155.8160.700125.7
272G27.9Very low33.4Very low71 Ų71151.1 Ų151.173%0.73277%0.774SS**  trans-18024.9172.300000125.5
273K30.3Very low33.4Very low215 Ų215149.7 Ų149.794%0.93578%0.781SS**  trans69138.8166.2-71-172.3174.4179.60122.8
274A32.1Very low33.6Very low79 Ų79150 Ų15065%0.65378%0.782SS**  trans-101175163.500000112.4V276A274-V276 HydrophobicContact CB-CG2 4.33Å
275P35.4Very low33.8Very low135 Ų135151.6 Ų151.688%0.87779%0.79SS**  -144.7179.786.137.2-18.3000116.4
276V31.2Very low34.2Very low122 Ų122150.5 Ų150.574%0.73979%0.791SS**  trans-144.7170.2-158.2-173.80000108.5A274A274-V276 HydrophobicContact CB-CG2 4.33Å
277P51.6Low34.7Very low109 Ų109147.1 Ų147.171%0.70879%0.787SS**  cis-121-158.8-45.839.2-21000112.4
278P42.2Very low35.1Very low116 Ų116147.3 Ų147.375%0.75379%0.788SS**  -145.214778.836.4-16.9000118.1
279R31.9Very low35.4Very low225 Ų225147.9 Ų147.985%0.84980%0.795SS**  trans26.2132144.3-66.4173.1174.5160.3-1.8117.8
280N28.2Very low35.7Very low140 Ų140144.6 Ų144.675%0.74979%0.787SS**  cis178.2164.730.2-114.6-3.6000107.5
281R30.1Very low36Very low207 Ų207143.2 Ų143.278%0.78179%0.785SS**  cis-143.5166.44.2-61.5-176.8173.3148.1-3.7110.2
282Q36.1Very low36.3Very low180 Ų180141.8 Ų141.884%0.84178%0.782SS**  trans30.9102.5142-66.2170.5-33.400119.6
283S30.5Very low36.7Very low124 Ų124148.6 Ų148.687%0.86779%0.786SS**  trans-131.2148.4145-173.60000108.4
284L35.3Very low37Very low169 Ų169144.6 Ų144.689%0.88578%0.775SS**  trans-79.1153.5-177.9-74.5129.8000112.3
285E34.6Very low37.2Very low173 Ų173149.5 Ų149.581%0.80878%0.782SS**  trans-61.8143.3176.7-75.1-67152.300113.6G287E285-G287 PolarHBondContact O-N 3.32Å
286P39Very low37.4Very low128 Ų128150.4 Ų150.483%0.83178%0.778SS**  trans-90.371.716636.6-31.4000111.2
287G43.6Very low38.1Very low59 Ų59151.4 Ų151.461%0.60878%0.778SS**  trans-90152.5161.900000111.3E285E285-G287 PolarHBondContact O-N 3.32Å
288E40.3Very low36.9Very low176 Ų176150.9 Ų150.982%0.82278%0.777SS**  trans75.152.2170.7-50.7-175.7165.300117.9
289L42.7Very low36.7Very low177 Ų177150.2 Ų150.293%0.92777%0.772SS**  trans-125.428.5161.1-84.6-179.6000114.8
290T41.2Very low36.6Very low104 Ų104145.4 Ų145.464%0.63877%0.768SS**SBendtrans-106.2-24.2174.4500000114.2L292T290-L292 PolarHBondContact O-N 3.33Å
291N40.9Very low36.7Very low121 Ų121143.4 Ų143.465%0.64776%0.761SS**THydrogen-bonded Turntrans-88.44.9-164.7-61.3-10.5000115.6
292L36.5Very low36.8Very low148 Ų148138.2 Ų138.278%0.77576%0.756SS**THydrogen-bonded Turntrans-101.5-7-177.6-145.284.7000114.7T290T290-L292 PolarHBondContact O-N 3.33Å
293R37.4Very low36.4Very low213 Ų213138 Ų13880%0.80475%0.754SS**SBendtrans-87.2-32.5174.9-70.1-171.9178.6-171.1-0112.5F295R293-F295 VanDerWaalsContact C-N 3.32Å; R293-F295 PolarHBondContact O-N 2.98Å
294D35.5Very low36.4Very low132 Ų132138.1 Ų138.171%0.70675%0.75SS**THydrogen-bonded Turntrans-80.3-12.3-173.4-58.6-14.6000113.6
295F37.2Very low36Very low182 Ų182134.2 Ų134.280%0.79874%0.742SS**THydrogen-bonded Turntrans-90.4-5.6-177.7-145.5-94.8000114.7R293R293-F295 VanDerWaalsContact C-N 3.32Å; R293-F295 PolarHBondContact O-N 2.98Å
296L40.6Very low35.7Very low153 Ų153133.5 Ų133.580%0.80174%0.743SS**SBendtrans-1232.9-177.5-67.9177.7000114.7
297I45.3Very low35.3Very low144 Ų144133.2 Ų133.274%0.73874%0.742SS**  trans-123.776.4171.7-49.1-179.3000109.3
298S26.9Very low34.6Very low98 Ų98133.6 Ų133.669%0.68575%0.746SS**  trans-133.193.1165.6-170.20000110.5
299P36.8Very low34.1Very low101 Ų101134.3 Ų134.366%0.65675%0.749SS**  trans-79112.9157.831.3-27.2000108V301P299-V301 VanDerWaalsContact C-N 3.26Å; P299-V301 HydrophobicContact CB-CG2 4.36Å; P299-V301 PolarHBondContact O-N 2.86Å
300V29.4Very low33.4Very low125 Ų125134.8 Ų134.876%0.75875%0.746SS**  trans-69.389.8167.31770000108.2S302V300-S302 PolarHBondContact O-N 3.13Å
301V31.5Very low32.9Very low98 Ų98136.6 Ų136.659%0.59475%0.752SS**  trans-83.299.1168.31790000107.7P299 H303P299-V301 VanDerWaalsContact C-N 3.26Å; P299-V301 HydrophobicContact CB-CG2 4.36Å; P299-V301 PolarHBondContact O-N 2.86Å; V301-H303 PolarHBondContact O-N 3.48Å
302S31.3Very low32.3Very low98 Ų98140 Ų14069%0.68576%0.761SS**  trans-69.993.1170-62.90000109.9V300 V304V300-S302 PolarHBondContact O-N 3.13Å; S302-V304 VanDerWaalsContact C-N 3.35Å; S302-V304 PolarHBondContact O-N 2.96Å
303H27.7Very low32Very low175 Ų175138 Ų13881%0.8176%0.759SS**  trans-67.993.1164-79-77000109.7V301V301-H303 PolarHBondContact O-N 3.48Å
304V30.9Very low31.6Very low127 Ų127135.3 Ų135.377%0.7776%0.761SS**PPolyproline II helixtrans-81.5127156.5175.80000107.3S302S302-V304 VanDerWaalsContact C-N 3.35Å; S302-V304 PolarHBondContact O-N 2.96Å
305A27.2Very low31.2Very low87 Ų87134.1 Ų134.172%0.71976%0.763SS**PPolyproline II helixtrans-65.8134.1-179.500000111.6P307A305-P307 WeakPolarHBondContact O-CD 3.46Å
306N27.3Very low30.8Very low157 Ų157136 Ų13684%0.8477%0.766SS**PPolyproline II helixtrans-69.2123.7159.7-80.9-27.1000108.8
307P32Very low30.2Very low122 Ų122139.8 Ų139.879%0.79277%0.77SS**PPolyproline II helixtrans-69.7132.3155.830.7-30.3000108.2A305A305-P307 WeakPolarHBondContact O-CD 3.46Å
308G27.5Very low29.2Very low68 Ų68141.7 Ų141.770%0.70178%0.775SS**PPolyproline II helixtrans-65.6153.6-168.600000114.8H310G308-H310 PolarHBondContact O-N 3.25Å
309H29.9Very low29.2Very low191 Ų191146.4 Ų146.488%0.88478%0.778SS**PPolyproline II helixtrans-57.1118.5161.4-101-109.1000109.8
310H28.5Very low28.7Very low186 Ų186148.1 Ų148.186%0.86178%0.777SS**  trans-114.1101.6155.6-83.6-40.3000108.3G308G308-H310 PolarHBondContact O-N 3.25Å
311D29.8Very low28.7Very low142 Ų142147.8 Ų147.876%0.75978%0.776SS**  trans-78.4116.6164.3-178.96.4000109.3S313D311-S313 PolarHBondContact OD1-N 2.95Å
312K29.7Very low28.6Very low192 Ų192148.5 Ų148.584%0.83579%0.785SS**  trans-146.389.5158.5-70.8-162.9178.4175.20111.4
313S29.2Very low28.4Very low107 Ų107152.7 Ų152.775%0.74879%0.791SS**  58.2133.4123.9-154.90000120.6D311 S315D311-S313 PolarHBondContact OD1-N 2.95Å; S313-S315 PolarHBondContact O-N 3.39Å
314N28.9Very low28.5Very low157 Ų157152.7 Ų152.784%0.8480%0.796SS**  trans-52.3131.4170.3-90.5-40.5000113.7
315S28.3Very low28.5Very low107 Ų107151.5 Ų151.575%0.74880%0.799SS**  trans-144.7105.6152.9-157.60000112.2S313 R317S313-S315 PolarHBondContact O-N 3.39Å; S315-R317 PolarHBondContact O-N 2.87Å
316Y27.6Very low28.5Very low221 Ų221154.7 Ų154.787%0.86780%0.804SS**  trans-61.9115.7162.3-101.4-100.9000110
317R28Very low28.6Very low232 Ų232155 Ų15588%0.87581%0.805SS**  trans-144.9127.8149.5-76.3-157.5175-93-5.5112.6S315S315-R317 PolarHBondContact O-N 2.87Å
318H25.9Very low28.7Very low185 Ų185156 Ų15686%0.85680%0.799SS**  trans-56.2140.6162.9-72.4-96000111.8
319R25.2Very low28.8Very low196 Ų196161.7 Ų161.774%0.7481%0.807SS**  trans-165.3108135.8-107.5173.3173.1-69.1-30.8108.2
320E27.3Very low28.9Very low137 Ų137160.9 Ų160.964%0.6480%0.801SS**  81.3109.993-80.8176.9-15500112.6
321V29.8Very low28.8Very low119 Ų119157.6 Ų157.672%0.72179%0.794SS**  trans-58.3139.2169.3178.60000109.6F323V321-F323 HydrophobicContact CG1-CD2 3.66Å; V321-F323 HydrophobicContact CG1-CE2 3.78Å
322S28.5Very low28.7Very low112 Ų112156.1 Ų156.178%0.78379%0.794SS**  trans-13599.4163.6-73.90000109.5
323F26.5Very low28.7Very low187 Ų187152.9 Ų152.982%0.8280%0.795SS**  trans-65135.8161.3-77.7-96.8000108.9V321V321-F323 HydrophobicContact CG1-CD2 3.66Å; V321-F323 HydrophobicContact CG1-CE2 3.78Å
324L31.3Very low28.7Very low175 Ų175152 Ų15292%0.91680%0.795SS**  trans-126.1137.6148.5-76.4178.8000108.6
325A30.1Very low28.8Very low101 Ų101152.6 Ų152.684%0.83579%0.792SS**  trans-89.7168.8-163.100000113.2
326L27.9Very low28.7Very low155 Ų155153.5 Ų153.581%0.81279%0.789SS**  trans-48.1153167.9-65.6153.8000112.8
327D28.9Very low28.9Very low162 Ų162149.4 Ų149.487%0.86679%0.787SS**  trans-127.6141138.5-165.920.2000109.7
328E34.5Very low28.9Very low143 Ų143142.1 Ų142.167%0.66878%0.776SS**  trans-110.3125.8-175.4-66.4-174.4140.100110.6
329Q29.9Very low29.1Very low188 Ų188143.6 Ų143.688%0.87977%0.774SS**  trans-148.396.5153.7-133.6168.356.900110.9
330K31.3Very low29.2Very low175 Ų175139.5 Ų139.576%0.76177%0.767SS**  70.6113.578.1-90.5-166171.81700116.3
331V26.6Very low29.1Very low117 Ų117142.5 Ų142.571%0.70977%0.774SS**  trans85.398.8138.3-176.50000118.2
332C26.8Very low29.2Very low111 Ų111141.9 Ų141.975%0.7577%0.774SS**  32.7134.4122.8-430000119.9
333S30.1Very low29.5Very low123 Ų123144.2 Ų144.286%0.8678%0.778SS**  -169.8162.997-79.10000112.3
334A28.9Very low30.2Very low90 Ų90141 Ų14174%0.74478%0.776SS**  trans-98.5-177.9-170.400000113.6
335Q30.7Very low30Very low168 Ų168139.7 Ų139.779%0.78576%0.763SS**  trans106.8122.5140.9-147.294.66300117.4
336D27.5Very low29.9Very low126 Ų126145.4 Ų145.467%0.67476%0.763SS**  trans-11.2149153.5-50.7-72.3000119
337V30.5Very low30Very low136 Ų136142.7 Ų142.782%0.82475%0.749SS**  -169.5110.2102.5147.80000111.5
338A28.9Very low30Very low79 Ų79144.4 Ų144.465%0.65375%0.752SS**  trans47.8140131.500000124.1
339R29.1Very low29.8Very low216 Ų216143.4 Ų143.482%0.81576%0.756SS**  98125.2127.7-91.5178.7-179-1429.7122
340D27.5Very low29.6Very low109 Ų109140 Ų14058%0.58375%0.753SS**  103.6112.2124.5-73.2-15.5000121.3
341Y26.5Very low29.5Very low201 Ų201138.7 Ų138.779%0.78875%0.754SS**  trans60.8113.3142.5-73.6-85.5000123.1
342S31.2Very low29.5Very low105 Ų105136.9 Ų136.973%0.73476%0.759SS**  65.6127.2128.4-67.30000122.4
343N35.6Very low29.5Very low161 Ų161140.1 Ų140.186%0.86176%0.76SS**  trans-41.3155.4161.9-80.1-19.2000115
344P40.2Very low29.5Very low121 Ų121142.8 Ų142.879%0.78676%0.764SS**  -131.7140.6113.736.5-28.5000116
345K28.1Very low29.6Very low146 Ų146145.3 Ų145.364%0.63576%0.76SS**  trans-34.9145.7149.5167.1-174.3178.3-175.90115.1D347K345-D347 WeakPolarHBondContact CE-OD2 3.44Å; K345-D347 IonicContact NZ-OD2 3.1Å
346W28.1Very low29.7Very low222 Ų222145.5 Ų145.584%0.84176%0.759SS**  -168.5120127.8-75.7104.9000105.5
347D29Very low29.8Very low97 Ų97147.2 Ų147.252%0.51976%0.763SS.*  56.6117.882.6-63.5-28.1000113.6K345K345-D347 WeakPolarHBondContact CE-OD2 3.44Å; K345-D347 IonicContact NZ-OD2 3.1Å
348E28.8Very low29.6Very low198 Ų198145 Ų14593%0.92575%0.753SS**  -173.7171102.2-116.8178.7168.600114.7
349T30Very low29.6Very low122 Ų122148.7 Ų148.775%0.74876%0.762SS**  trans-112.9154.1-155.2-25.40000113.4
350S26.8Very low29.6Very low118 Ų118146.1 Ų146.183%0.82576%0.763SS**  trans-165.3100.3146.7-80.30000109.5
351L28Very low29.8Very low146 Ų146148.7 Ų148.776%0.76477%0.772SS**  63.9113.784.6-89.1170.6000116.2F353L351-F353 HydrophobicContact CD2-CD2 4.24Å; L351-F353 HydrophobicContact CD2-CE2 3.79Å
352G26.8Very low29.9Very low79 Ų79147 Ų14781%0.81477%0.771SS**  trans-173.2105.1169.700000111
353F27.8Very low29.8Very low180 Ų180147.4 Ų147.479%0.78977%0.769SS**  trans-80.2147.1-174.3-80.3-110.1000113.6L351L351-F353 HydrophobicContact CD2-CD2 4.24Å; L351-F353 HydrophobicContact CD2-CE2 3.79Å
354L30.5Very low29.7Very low179 Ų179148 Ų14894%0.93776%0.764SS**  -156.1167.4120.9-140.675000111.9
355E30.2Very low29.1Very low142 Ų142145.6 Ų145.666%0.66476%0.761SS**  trans-135.5149.5-151.4175.9-169.3-157.100111.8
356K31.9Very low29.3Very low173 Ų173146.8 Ų146.875%0.75277%0.769SS**  trans146.5118.5147.3-80.8161.7-173.7-178.10110.3
357Q29.9Very low29.4Very low162 Ų162144.7 Ų144.776%0.75777%0.768SS**  64134.273.3-73.3-171.7-31.600113
358S27.7Very low29.4Very low89 Ų89145.4 Ų145.462%0.62278%0.777SS**  cis-172.6150-1.340.30000111.4
359D27.6Very low29.4Very low156 Ų156142.6 Ų142.683%0.83477%0.773SS**  trans42.2131.6142.1-44.8-31.6000123.1
360L30.5Very low29.4Very low162 Ų162140.9 Ų140.985%0.84877%0.77SS**  -153146.1123.6-155.463.1000113
361E31Very low30Very low164 Ų164140.6 Ų140.677%0.76677%0.766SS**  trans-39.3143.6-178.7-57.8165.4134.200115.9
362E27.5Very low30.1Very low165 Ų165144.2 Ų144.277%0.77177%0.769SS**  71.9148.751.2-138.1-146.3144.100115.9
363V30.8Very low30.1Very low114 Ų114147.6 Ų147.669%0.69177%0.768SS**  trans79.8111.8169.9-168.30000115.8
364K31.6Very low30.3Very low173 Ų173144.5 Ų144.575%0.75277%0.769SS**  cis110.4120.723.2174.8-170.5-176.71780112.3
365G29.1Very low30.3Very low70 Ų70148.1 Ų148.172%0.72277%0.77SS**  trans-149.9100.4155.800000107
366Q31Very low30.1Very low172 Ų172144.9 Ų144.980%0.80477%0.774SS**  73.5103.380.9-75.7-175-79.500114
367E31.1Very low30.5Very low178 Ų178142.5 Ų142.583%0.83278%0.777SS**  -161.5137117.7-115.5-160.1107.200116.1
368T29.7Very low30.5Very low112 Ų112142.8 Ų142.869%0.68778%0.783SS**  trans46.977.3140.945.10000124.7
369V29Very low30.6Very low139 Ų139149.1 Ų149.184%0.84279%0.793SS**  21.4110.4120.5-176.60000121.8
370A28.5Very low30.5Very low85 Ų85147.2 Ų147.270%0.70279%0.786SS**  trans70.3165.613200000121.5
371P39.3Very low30.4Very low113 Ų113144.9 Ų144.973%0.73478%0.775SS**  cis-137.7156.99.141.7-23.1000120.3
372R30.1Very low30.3Very low221 Ų221144.6 Ų144.683%0.83477%0.771SS**  trans18.5147131.8-42.8-176.1175.4-147-3119.6
373L28.4Very low30.1Very low150 Ų150145 Ų14579%0.78577%0.773SS**  cis-166.8146.948.7-74.6164.6000110.4
374S31.7Very low30Very low115 Ų115148.7 Ų148.780%0.80478%0.783SS**  148.4140.710754.10000106.5
375R29.7Very low30Very low256 Ų256147.6 Ų147.697%0.96678%0.783SS**  cis81.493.530.4-159.8-179.4-166.2174.16.5116.1
376G27.2Very low30.4Very low73 Ų73149.8 Ų149.875%0.75379%0.785SS**  trans154.6119157.900000115
377P39.5Very low30.3Very low124 Ų124150 Ų15081%0.80579%0.785SS**  trans-104.1143.7177.836.7-30.1000113.3
378L30.3Very low30Very low168 Ų168150.8 Ų150.888%0.8879%0.789SS**  trans-159.1127.8157.7-13995.8000114.8
379R28.8Very low29.9Very low221 Ų221150.2 Ų150.283%0.83479%0.79SS**  trans21.5133.2145.3-80.7-172.8173.4-135.2-1123.1
380V26.8Very low30Very low116 Ų116151.3 Ų151.370%0.70379%0.79SS**  93.2132.1129.9168.50000119.8
381D27.8Very low30.2Very low114 Ų114155.6 Ų155.661%0.6180%0.801SS**  trans72.9111.3160.8-85.66.5000122.9
382K28.8Very low29.7Very low157 Ų157152.9 Ų152.968%0.68379%0.794SS**  75.6130.2126.4-68.2170.2-176.5142.30121
383H24Very low29.6Very low174 Ų174148.4 Ų148.481%0.80680%0.795SS**  trans42.5113.2140.6-69.8-77.6000117.3
384E27.1Very low29.5Very low192 Ų192146.2 Ų146.290%0.89779%0.791SS**  -163172.969.2-104.8165.7159.100113.5
385I31.5Very low29.4Very low150 Ų150148.5 Ų148.577%0.76979%0.794SS**  trans-100.1148.1-179.1-39.8167.9000108.9
386P39.3Very low29.5Very low115 Ų115142.7 Ų142.775%0.74779%0.787SS**  -139.9139.7100167.1000113.1
387Q27.6Very low30.1Very low176 Ų176144.6 Ų144.682%0.82279%0.786SS**  59.199.188.3-83.2-166.2-26.700117.1
388E25.3Very low29.5Very low196 Ų196143.2 Ų143.292%0.91678%0.779SS**  trans174.9154.3144.852.6-167.8-176.500107.8
389S26.6Very low29.4Very low99 Ų99142.5 Ų142.569%0.69277%0.774SS**  cis-156.9151.9-2.7144.30000109.5
390L32.6Very low29.3Very low163 Ų163139.2 Ų139.285%0.85377%0.773SS**  trans7.7126.5154.4-60.4163.7000120.9
391D32Very low29.9Very low174 Ų174138 Ų13893%0.9377%0.767SS**  -161.8162.7122.8-133.8-2.3000106.7
392G29.7Very low29.8Very low56 Ų56139.7 Ų139.758%0.57778%0.776SS**  cis156131.211.700000108.1
393C27.4Very low29.9Very low127 Ų127140 Ų14086%0.85878%0.784SS**  trans-33.4156.2170.1-63.40000115.6
394C26.7Very low30.1Very low105 Ų105138.2 Ų138.271%0.70979%0.786SS**  cis-175.2167.520.3-130.70000112.7
395L28.4Very low30.3Very low163 Ų163135 Ų13585%0.85378%0.782SS**  trans70.1118.6151.9-60.6168.7000122.6
396T32.8Very low30Very low134 Ų134133.2 Ų133.282%0.82278%0.782SS**  trans-76.4-179.6156.437.60000111.7
397P38.5Very low29.4Very low113 Ų113137.7 Ų137.773%0.73479%0.786SS**  cis-131.6177.914.433.4-8.7000114.9
398S28Very low29.3Very low94 Ų94137.8 Ų137.866%0.65779%0.786SS**  168.9150.776-90.70000113.1
399I27.4Very low29.7Very low154 Ų154133.2 Ų133.279%0.7977%0.773SS**  trans64.6134.3143.1-64.5166.9000117.6
400L27.2Very low29.7Very low152 Ų152139 Ų13980%0.79678%0.781SS**  cis-165.1-150.9-7.9-166.976.6000108.3
401P39.2Very low29.4Very low89 Ų89142.1 Ų142.158%0.57878%0.782SS**  -96.8169.4-116.839-24.1000116.5
402D25.8Very low29.3Very low150 Ų150139.5 Ų139.580%0.80278%0.777SS**  172.5164.5110.3-98.8-18.8000114.8
403L29.9Very low29.3Very low163 Ų163142.7 Ų142.785%0.85379%0.785SS**  trans99.587.7165.3-64.7159000118.8
404T29.2Very low29.7Very low138 Ų138144.5 Ų144.585%0.84779%0.786SS**PPolyproline II helixtrans-64.4136.8150.631.20000112.2
405P31.6Very low29.8Very low125 Ų125150.8 Ų150.881%0.81280%0.796SS**PPolyproline II helixtrans-94.7131159.432.4-27.5000111
406S25.8Very low30Very low111 Ų111146.9 Ų146.978%0.77678%0.782SS**PPolyproline II helixtrans-72.2143.4-176.655.20000113.9
407Y25.2Very low30Very low209 Ų209147.6 Ų147.682%0.8277%0.774SS**PPolyproline II helixtrans-72.7133.3178.4-140.3-104.5000112.4P409Y407-P409 HydrophobicContact CD1-CG 4.33Å; Y407-P409 HydrophobicContact CE1-CG 4.38Å
408H26.2Very low29.9Very low179 Ų179149.1 Ų149.183%0.82977%0.772SS**  trans-144.8118.4158.3-87.4-59.7000110.1
409P33.9Very low30.3Very low99 Ų99149.4 Ų149.464%0.64377%0.766SS**  trans-104.3115.8175.434.6-25.4000111.3Y407Y407-P409 HydrophobicContact CD1-CG 4.33Å; Y407-P409 HydrophobicContact CE1-CG 4.38Å
410Y26.8Very low31.1Very low222 Ų222147.5 Ų147.587%0.87175%0.752SS**  trans-150.6146.2157.2-150.9-104.2000110.4
411W26.5Very low31.7Very low228 Ų228146.6 Ų146.686%0.86474%0.744SS**  trans72.482.4174.9-146.4-42.9000117.8
412S28.4Very low31.4Very low118 Ų118147.5 Ų147.583%0.82575%0.747SS**  trans-156.768.3146.6-163.50000112.2
413T31.6Very low32.2Very low123 Ų123143.1 Ų143.176%0.75573%0.729SS**  trans-118.295.2164.751.10000108.3
414L34.6Very low32.9Very low165 Ų165140.2 Ų140.286%0.86471%0.713SS**  trans154.877.8158.9-87.2158.6000110
415Y28.3Very low33.2Very low237 Ų237136.8 Ų136.893%0.92970%0.699SS**  trans-175.6106.5148.4-114.9-74.3000110.8
416S33Very low33.5Very low81 Ų81136 Ų13657%0.56669%0.687SS**  trans165.786.5152.5-80.80000110.5
417F33Very low34.6Very low149 Ų149135 Ų13565%0.65468%0.676SS**SBendtrans-107.9-59.9168-167-108.7000109.6D419 K420F417-D419 PolarHBondContact O-N 3.29Å; F417-K420 PolarHBondContact O-N 2.83Å
418E37.5Very low35.2Very low145 Ų145130 Ų13068%0.67866%0.664SS**Hα-helixtrans-55.2-35.2179-92.457.9-146.300116.4K420 Q421E418-K420 PolarHBondContact O-N 3.42Å; E418-Q421 PolarHBondContact O-N 3.08Å
419D35Very low35.9Very low101 Ų101128 Ų12854%0.5465%0.653SS.*Hα-helixtrans-72-13.2-173.5-144.548.9000113F417 S423F417-D419 PolarHBondContact O-N 3.29Å; D419-S423 WeakPolarHBondContact O-CB 3.32Å; D419-S423 PolarHBondContact O-N 3.37Å; D419-S423 PolarHBondContact O-OG 3Å
420K44.4Very low36.5Very low113 Ų113127.9 Ų127.949%0.49165%0.646SS.*Hα-helixtrans-73.9-39.1175.8-66.9-178.6-179.7177.40112.5F417 E418 V422 S423 L424F417-K420 PolarHBondContact O-N 2.83Å; E418-K420 PolarHBondContact O-N 3.42Å; K420-V422 PolarHBondContact O-N 3.37Å; K420-S423 PolarHBondContact O-N 2.9Å; K420-S423 VanDerWaalsContact O-N 3.15Å; K420-L424 PolarHBondContact O-N 3.27Å
421Q39.6Very low37.4Very low134 Ų134124.4 Ų124.463%0.62664%0.635SS**Hα-helixtrans-66.4-38.6-175.8-64.5-61.671.100112.4E418 S423 A425E418-Q421 PolarHBondContact O-N 3.08Å; Q421-S423 VanDerWaalsContact C-N 3.32Å; Q421-A425 WeakPolarHBondContact O-CB 3.44Å; Q421-A425 PolarHBondContact O-N 3.26Å
422V33.8Very low38Very low107 Ų107121 Ų12165%0.64863%0.627SS**Hα-helixtrans-70.9-32175.5-176.70000111.2K420 L426K420-V422 PolarHBondContact O-N 3.37Å; V422-L426 WeakPolarHBondContact O-CB 3.4Å; V422-L426 PolarHBondContact O-N 3.26Å
423S42.2Very low38.6Very low59 Ų59120.1 Ų120.141%0.41361%0.613SS.*Hα-helixtrans-73.3-43.8179.2-61.10000112.6D419 K420 Q421 L426 V427D419-S423 WeakPolarHBondContact O-CB 3.32Å; D419-S423 PolarHBondContact O-N 3.37Å; D419-S423 PolarHBondContact O-OG 3Å; K420-S423 PolarHBondContact O-N 2.9Å; K420-S423 VanDerWaalsContact O-N 3.15Å; Q421-S423 VanDerWaalsContact C-N 3.32Å; S423-L426 PolarHBondContact O-N 2.96Å; S423-V427 WeakPolarHBondContact O-CG2 3.42Å; S423-V427 PolarHBondContact O-N 3.23Å; S423-V427 VanDerWaalsContact O-N 3.17Å
424L45Very low38.9Very low102 Ų102120.3 Ų120.353%0.53461%0.605SS.*Hα-helixtrans-63.5-49.6174.9-9867.8000111.4K420 L426 V427 D428K420-L424 PolarHBondContact O-N 3.27Å; L424-L426 PolarHBondContact O-N 2.89Å; L424-L426 VanDerWaalsContact O-N 3.12Å; L424-V427 PolarHBondContact O-N 3.25Å; L424-D428 PolarHBondContact O-N 3.43Å
425A34.8Very low39.3Very low66 Ų66119.5 Ų119.555%0.54560%0.597SS.*Hα-helixtrans-61.5-24.4-179.400000113.8Q421 K429Q421-A425 WeakPolarHBondContact O-CB 3.44Å; Q421-A425 PolarHBondContact O-N 3.26Å; A425-K429 WeakPolarHBondContact O-CB 3.45Å
426L38.7Very low39.8Very low107 Ų107116.2 Ų116.256%0.5659%0.59SS**Hα-helixtrans-79-40.1172.7-17267000112V422 S423 L424 K429 I430V422-L426 WeakPolarHBondContact O-CB 3.4Å; V422-L426 PolarHBondContact O-N 3.26Å; S423-L426 PolarHBondContact O-N 2.96Å; L424-L426 PolarHBondContact O-N 2.89Å; L424-L426 VanDerWaalsContact O-N 3.12Å; L426-K429 PolarHBondContact O-N 3.1Å; L426-I430 HydrophobicContact CG-CD1 4.14Å; L426-I430 WeakPolarHBondContact O-CD1 3.41Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.3Å; L426-I430 PolarHBondContact O-N 2.77Å
427V48.1Very low40.3Very low91 Ų91118.3 Ų118.355%0.55259%0.593SS**Hα-helixtrans-67.9-44.3179.31700000111.6S423 L424 K429 I430 K431S423-V427 WeakPolarHBondContact O-CG2 3.42Å; S423-V427 PolarHBondContact O-N 3.23Å; S423-V427 VanDerWaalsContact O-N 3.17Å; L424-V427 PolarHBondContact O-N 3.25Å; V427-K429 VanDerWaalsContact C-N 3.27Å; V427-K429 PolarHBondContact O-N 3.39Å; V427-I430 PolarHBondContact O-N 2.97Å; V427-K431 PolarHBondContact O-N 2.92Å
428D39Very low40.6Very low103 Ų103119.7 Ų119.755%0.55160%0.602SS**Hα-helixtrans-65.2-33.7177.4-74.3-22.6000112.1L424 K431 K432L424-D428 PolarHBondContact O-N 3.43Å; D428-K431 PolarHBondContact O-N 2.89Å; D428-K432 WeakPolarHBondContact O-CB 3.5Å; D428-K432 PolarHBondContact O-N 3.22Å
429K40.8Very low40.7Very low139 Ų139119.4 Ų119.460%0.60461%0.605SS**Hα-helixtrans-68.4-41.4175.5-160.8164.8-170.1168.10112A425 L426 V427 K431 K432 D433A425-K429 WeakPolarHBondContact O-CB 3.45Å; L426-K429 PolarHBondContact O-N 3.1Å; V427-K429 VanDerWaalsContact C-N 3.27Å; V427-K429 PolarHBondContact O-N 3.39Å; K429-K431 VanDerWaalsContact C-N 3.34Å; K429-K432 PolarHBondContact O-N 3.18Å; K429-D433 WeakPolarHBondContact O-CB 3.46Å; K429-D433 PolarHBondContact O-N 3.4Å
430I46.5Very low40.7Very low96 Ų96122.6 Ų122.649%0.49262%0.616SS.*Hα-helixtrans-64.1-39.1172.8-68.8164000111L426 V427 Q434L426-I430 HydrophobicContact CG-CD1 4.14Å; L426-I430 WeakPolarHBondContact O-CD1 3.41Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.3Å; L426-I430 PolarHBondContact O-N 2.77Å; V427-I430 PolarHBondContact O-N 2.97Å; I430-Q434 PolarHBondContact O-N 3.27Å
431K44.1Very low40.4Very low149 Ų149122.4 Ų122.465%0.64863%0.629SS**Hα-helixtrans-64.7-42.2177.3-167.8-177.3178-1670111.7V427 D428 K429 Q434 E435V427-K431 PolarHBondContact O-N 2.92Å; D428-K431 PolarHBondContact O-N 2.89Å; K429-K431 VanDerWaalsContact C-N 3.34Å; K431-Q434 WeakPolarHBondContact O-CB 3.12Å; K431-Q434 PolarHBondContact O-N 2.87Å; K431-E435 PolarHBondContact O-N 3.41Å
432K40.5Very low40.3Very low157 Ų157121.6 Ų121.668%0.68364%0.636SS**Hα-helixtrans-69.2-37.7178.8-163.5166.7-172.2165.80113.1D428 K429 Q434 E435D428-K432 WeakPolarHBondContact O-CB 3.5Å; D428-K432 PolarHBondContact O-N 3.22Å; K429-K432 PolarHBondContact O-N 3.18Å; K432-Q434 PolarHBondContact O-N 2.86Å; K432-E435 PolarHBondContact O-N 2.94Å
433D39.8Very low40.5Very low99 Ų99122.3 Ų122.353%0.52964%0.643SS.*Hα-helixtrans-69-15.2173.7-66.2-9.7000112.6K429 I437K429-D433 WeakPolarHBondContact O-CB 3.46Å; K429-D433 PolarHBondContact O-N 3.4Å; D433-I437 WeakPolarHBondContact O-CD1 3.2Å
434Q39Very low39.9Very low126 Ų126125 Ų12559%0.58966%0.66SS**Hα-helixtrans-85.1-34.5177.4-159.57762.900112.2I430 K431 K432 I437I430-Q434 PolarHBondContact O-N 3.27Å; K431-Q434 WeakPolarHBondContact O-CB 3.12Å; K431-Q434 PolarHBondContact O-N 2.87Å; K432-Q434 PolarHBondContact O-N 2.86Å; Q434-I437 PolarHBondContact O-N 3.48Å
435E41.4Very low39.3Very low149 Ų149126.4 Ų126.470%0.69668%0.675SS**Hα-helixtrans-74.1-29.9-177-165.6169.7-167.700112.5K431 K432 I437K431-E435 PolarHBondContact O-N 3.41Å; K432-E435 PolarHBondContact O-N 2.94Å; E435-I437 PolarHBondContact O-N 3.27Å
436E39.8Very low39Very low168 Ų168134.1 Ų134.179%0.78569%0.69SS**THydrogen-bonded Turntrans-72.7-10.4176.1-159.9178.915900113.6
437I43.2Very low38.7Very low125 Ų125137.8 Ų137.864%0.64171%0.71SS**THydrogen-bonded Turntrans-92.8-17.8-176.9-65.8175.5000112.5D433 Q434 E435D433-I437 WeakPolarHBondContact O-CD1 3.2Å; Q434-I437 PolarHBondContact O-N 3.48Å; E435-I437 PolarHBondContact O-N 3.27Å
438E40.5Very low37.9Very low177 Ų177139 Ų13983%0.82772%0.722SS**SBendtrans-89.2-12.5-168.8-156.8154.8-149.600114.5
439D38.9Very low37.7Very low140 Ų140143.6 Ų143.675%0.74974%0.74SS**SBendtrans-105.338.4-178-161.927.9000114.8
440Q35.3Very low37.1Very low167 Ų167146 Ų14678%0.7875%0.753SS**  trans-136.882.1167.6-72.1-62.2-20.300111.9P442Q440-P442 WeakPolarHBondContact O-CD 3.38Å
441S37.1Very low36.2Very low109 Ų109149.1 Ų149.176%0.76277%0.77SS**PPolyproline II helixtrans-64.3122168.1-68.90000110.9
442P38.4Very low35.7Very low117 Ų117148 Ų14876%0.7678%0.778SS**PPolyproline II helixtrans-70.9135.717828.1-33.5000111.2Q440Q440-P442 WeakPolarHBondContact O-CD 3.38Å
443P37.7Very low35.2Very low122 Ų122149.4 Ų149.479%0.79279%0.787SS**PPolyproline II helixtrans-71.6134-178.528-34.1000111.9
444C29.4Very low34.6Very low115 Ų115150.3 Ų150.378%0.77780%0.796SS**PPolyproline II helixtrans-60.3134.7178.4-59.60000111.9R446C444-R446 PolarHBondContact O-N 3.08Å; C444-R446 VanDerWaalsContact O-N 3.09Å
445P31.2Very low34.4Very low132 Ų132154 Ų15486%0.85781%0.81SS**  trans-72.3107.1-179.728.8-33.4000110.8
446R29.8Very low33.8Very low229 Ų229155.4 Ų155.486%0.86482%0.817SS**  trans-74.8137.1165.5-75.6-172.9171.2179.3-1.6109.9C444 S448C444-R446 PolarHBondContact O-N 3.08Å; C444-R446 VanDerWaalsContact O-N 3.09Å; R446-S448 PolarHBondContact O-N 2.98Å; R446-S448 VanDerWaalsContact O-N 3.17Å
447L31.8Very low33.3Very low184 Ų184155.4 Ų155.496%0.96382%0.817SS**  trans-64.6109.4166.6-72.1164000108.9
448S31.4Very low32.6Very low115 Ų115157.2 Ų157.280%0.80482%0.823SS**  trans-111.2125169.3-69.80000109.7R446R446-S448 PolarHBondContact O-N 2.98Å; R446-S448 VanDerWaalsContact O-N 3.17Å
449Q35.9Very low32.3Very low200 Ų200154.6 Ų154.694%0.93582%0.818SS**  trans-95.3111.1-177.8176.6-178.223.900107.9
450E28Very low32.2Very low189 Ų189153.9 Ų153.988%0.88382%0.821SS**  trans-146.9126173-147.3163-160.800111.3
451L27.7Very low31.9Very low162 Ų162154.6 Ų154.685%0.84882%0.824SS**PPolyproline II helixtrans-88.3141.4-178.4-75158000109.8E453L451-E453 PolarHBondContact O-N 3.3Å
452P33.1Very low31.5Very low125 Ų125157 Ų15781%0.81283%0.829SS**PPolyproline II helixtrans-66.6123.9167.1-19.533000111
453E29.9Very low31.2Very low188 Ų188155.5 Ų155.588%0.87982%0.821SS**PPolyproline II helixtrans-65.5144.5176.1-169.4172178.400112L451L451-E453 PolarHBondContact O-N 3.3Å
454V26.8Very low31Very low118 Ų118155.1 Ų155.172%0.71582%0.816SS**PPolyproline II helixtrans-62.8133.2-177.6171.10000111.2E456V454-E456 HydrophobicContact CG1-CG 3.86Å
455K34Very low30.9Very low204 Ų204155.9 Ų155.989%0.88781%0.813SS**  trans-116.9111.3151.5-77.5-171.7176-179.70109.3
456E29.1Very low30.9Very low178 Ų178157 Ų15783%0.83281%0.807SS**  trans-67.5131.5170.4-55.4177.2139.100109.7V454V454-E456 HydrophobicContact CG1-CG 3.86Å
457Q29.8Very low31.2Very low168 Ų168151.5 Ų151.579%0.78580%0.798SS**  trans-156.8109.5152.1-160.9103.748.600110.7
458E28.4Very low31Very low163 Ų163152.6 Ų152.676%0.76279%0.791SS**  trans45.2109.5152.4-69.9168.6115.800121.1
459V34.3Very low31.2Very low122 Ų122154.2 Ų154.274%0.73979%0.79SS**  trans-75.3144.8149.9170.60000109.8E461V459-E461 HydrophobicContact CG1-CG 4.17Å
460P36.7Very low31Very low125 Ų125150.7 Ų150.781%0.81278%0.782SS**  trans-104.4131.6142.9-12.530.6000111.7
461E29.4Very low31.5Very low181 Ų181146.9 Ų146.985%0.84677%0.774SS**  trans-83.3139.5-177.5-56.2176.6138.800112.5V459V459-E461 HydrophobicContact CG1-CG 4.17Å
462D29.4Very low31.6Very low161 Ų161144.4 Ų144.486%0.86177%0.77SS**  trans-174.1139.3152.2-122.45.1000107.4
463S31.9Very low31.5Very low84 Ų84144.3 Ų144.359%0.58777%0.767SS**  cis-159.9148.6-6.353.70000111.1
464V32.6Very low31.3Very low115 Ų115142.9 Ų142.970%0.69776%0.76SS**  trans51.4124.2147.9-57.30000123.5
465N27Very low31.5Very low130 Ų130146.4 Ų146.470%0.69577%0.768SS**  77148.3125.2-70.918.5000120.5
466E33.1Very low31.3Very low157 Ų157142.9 Ų142.973%0.73476%0.759SS**  cis-160.7162.34.9-127.3167.6147.300113.6
467V35.2Very low31.5Very low112 Ų112141.1 Ų141.168%0.67976%0.76SS**  trans71.3105153.6173.60000118.6
468Y28.4Very low31.5Very low207 Ų207137.8 Ų137.881%0.81276%0.755SS**  64.4127.773.6-82.6-84000113.4
469L34.8Very low31.6Very low150 Ų150136.8 Ų136.879%0.78576%0.755SS**  cis-153.3150.326.1-90.2152000112.7
470T30.7Very low31.4Very low126 Ų126136.3 Ų136.377%0.77376%0.756SS**  trans-103.3162.7145.947.50000109.4
471P38.7Very low31.2Very low109 Ų109138.5 Ų138.571%0.70876%0.755SS**  -158.1158.8109.438-19.1000119
472S31.5Very low31.2Very low110 Ų110138.2 Ų138.277%0.76975%0.753SS**  trans73.8147.9148.578.40000119
473V29.2Very low31.3Very low123 Ų123135.5 Ų135.575%0.74574%0.744SS**  cis-139.913621164.40000112.7
474H26.5Very low30.9Very low158 Ų158141.4 Ų141.473%0.73176%0.755SS**  trans12.4127.7153.3-62.6-95.3000122.3
475H31.3Very low30.7Very low192 Ų192141.8 Ų141.889%0.88976%0.763SS**  -155.7168.186.8-113.6-61.3000111.7
476D29.4Very low30.7Very low130 Ų130139.4 Ų139.470%0.69576%0.757SS**  trans-138.7130.9-151.7172.425.7000110.9
477V33.1Very low30.5Very low141 Ų141137.7 Ų137.786%0.85576%0.757SS**  trans-169.5111.8147.1-98.70000112.4
478S30.1Very low30.3Very low97 Ų97139.9 Ų139.968%0.67876%0.764SS**  trans46.4115142.9-72.10000123.9
479D30.7Very low30.4Very low143 Ų143135.6 Ų135.677%0.76577%0.765SS**  61.4102.5121.8-73.5-17.4000122.2
480C30.6Very low30.2Very low111 Ų111134.3 Ų134.375%0.7577%0.768SS**  158.3106.498-950000113.4
481H30.9Very low30.2Very low171 Ų171136.2 Ų136.279%0.79277%0.772SS**  trans28.6102.8150.8-56.9-80000121.7
482Q29.3Very low30.2Very low175 Ų175140.1 Ų140.182%0.81878%0.781SS**  44.4153.6119.7-64.4-67.3-22.400121.8
483P32.2Very low30.4Very low104 Ų104142.8 Ų142.868%0.67579%0.787SS**  cis-134.7175.1-6.739.8-21.3000116
484Y24Very low30.7Very low209 Ų209145.6 Ų145.682%0.8279%0.792SS**  trans37.3105.4150-123.8-97.8000121
485S27.8Very low31.1Very low122 Ų122146.3 Ų146.385%0.85380%0.8SS**  trans-150.698.1148.4-175.40000110.3
486S28Very low30.9Very low81 Ų81142.1 Ų142.157%0.56680%0.798SS**  trans-109.390.8173.159.30000110.4
487T29.2Very low30.9Very low120 Ų120142.1 Ų142.174%0.73681%0.808SS**  trans21109143.153.90000118.9
488L29.8Very low30.8Very low159 Ų159141.4 Ų141.483%0.83281%0.808SS**  28.5129125.9-59.6175.7000120.5
489S31.5Very low30.6Very low117 Ų117141.2 Ų141.282%0.81881%0.813SS**  trans51.5104.3134.3-530000120.1
490S29.9Very low30.7Very low122 Ų122143.1 Ų143.185%0.85382%0.822SS**  trans-163.9113.9148-175.90000111.4
491L31.3Very low30.6Very low166 Ų166144.7 Ų144.787%0.86982%0.823SS**  trans-179.169.5138.8-168.668.6000111.3
492E38.8Very low30.5Very low192 Ų192142.8 Ų142.890%0.89782%0.823SS**  trans-151.956.5164.3-163.7120.8-127.100110.7
493D35.7Very low30.4Very low166 Ų166138.6 Ų138.689%0.88882%0.818SS**  trans-153.364.3178.2-127.5-13.9000111.8
494Q34.9Very low30.3Very low182 Ų182139.1 Ų139.185%0.8583%0.825SS**  trans-156.361.6171.3-161.4155.799.600115.5
495L34.4Very low31Very low173 Ų173134.8 Ų134.891%0.90682%0.822SS**  trans-144.486.6150.6-81.3-171.7000111.2
496A27.1Very low31.1Very low103 Ų103134.6 Ų134.685%0.85182%0.816SS**PPolyproline II helixtrans-69.4134.7169.700000111.2
497C30.1Very low31.3Very low131 Ų131139.7 Ų139.789%0.88583%0.831SS**PPolyproline II helixtrans-101.8134.9163-75.50000110.1
498S29.7Very low31.2Very low125 Ų125138.8 Ų138.887%0.87484%0.836SS**PPolyproline II helixtrans-67.3147.5-173-57.50000113.8
499A27.7Very low30.9Very low94 Ų94135.8 Ų135.878%0.77783%0.834SS**PPolyproline II helixtrans-73.4154.617700000113.7
500L31.3Very low31Very low183 Ų183136 Ų13696%0.95883%0.834SS**  trans-132136.2144.1-91.7173.9000109.3
501D28.5Very low31.7Very low144 Ų144135.3 Ų135.377%0.7783%0.826SS**  trans-90.9157.9-176.9173.235.7000111.2
502V29.2Very low31.4Very low130 Ų130136.6 Ų136.679%0.78883%0.828SS**  trans171.7111.2132.6155.10000111.9
503A27.2Very low30.8Very low87 Ų87131.1 Ų131.172%0.71982%0.823SS**  trans62.6120.4142.800000123.6
504S30.4Very low30.6Very low115 Ų115129.2 Ų129.280%0.80482%0.817SS**  trans-82163.4155.9-34.90000112.5
505P39.4Very low30.2Very low119 Ų119131.7 Ų131.777%0.77382%0.819SS**  -150.4-179.9107.637.6-20.9000113.8
506T29.8Very low29.9Very low117 Ų117129.3 Ų129.372%0.71882%0.817SS**  cis-172.1132.8-34.4-78.40000107.7
507E30.3Very low29.8Very low188 Ų188128.2 Ų128.288%0.87982%0.816SS**  trans35.1162.7156.3-64.5-170.914100126
508A27.8Very low29.6Very low102 Ų102129.2 Ų129.284%0.84381%0.812SS**  trans88.4140.3158.400000118.7
509A24.5Very low29.5Very low95 Ų95130.4 Ų130.479%0.78581%0.808SS**  cis-164157.7-15.700000111
510C32.6Very low29.5Very low123 Ų123131.8 Ų131.883%0.83181%0.812SS**  trans-102.5157.7161.8-57.80000108.6
511P44.2Very low29.3Very low106 Ų106131.5 Ų131.569%0.68881%0.805SS**  -160.117077.942.9-22.2000119.3
512Q26.4Very low29.1Very low194 Ų194132.3 Ų132.391%0.90780%0.804SS**  trans61.5131139-75.3161.8-29.200123.7
513G26.5Very low29.1Very low76 Ų76133.8 Ų133.878%0.78480%0.802SS**  trans-172.2127.9157.400000111.6
514T29.8Very low29Very low126 Ų126134.4 Ų134.477%0.77380%0.802SS**  trans-125.6-171.2-172.933.90000112.2
515W26.7Very low28.8Very low235 Ų235136.7 Ų136.789%0.8980%0.8SS**  trans86.4120.6173.4-56.366.2000113.5
516S27.7Very low28.2Very low123 Ų123136.1 Ų136.186%0.8679%0.794SS**  cis76.7114.637.9-162.60000114
517G25.4Very low28.1Very low80 Ų80139.4 Ų139.483%0.82580%0.801SS**  trans177.5122.3178.300000111.6
518D26.4Very low27.9Very low152 Ų152135.6 Ų135.681%0.81379%0.79SS**  trans-115.6173.6-169.2-153.5-13.9000111.3
519L26.9Very low28Very low150 Ų150136 Ų13679%0.78579%0.787SS**  trans71.9120.7167.2-59.7161.1000120
520S28.8Very low28.2Very low122 Ų122139.1 Ų139.185%0.85379%0.785SS**  178.6148.698.243.10000114.2
521H26.7Very low28Very low177 Ų177137.7 Ų137.782%0.81978%0.782SS**  trans-82.9152.4175.7-76.3-89.1000112.8
522H25.2Very low27.3Very low161 Ų161139.6 Ų139.675%0.74578%0.782SS**  -174.8113.7129.6-97.9-74.3000107.4
523Q27.6Very low27.4Very low161 Ų161136.7 Ų136.775%0.75277%0.772SS**  83.113783.1-85.7-172.3-9.100115.4
524S26.1Very low27.6Very low101 Ų101141 Ų14171%0.70677%0.772SS**  trans70.4146.9162.9-800000118.2
525E25.6Very low28.2Very low163 Ų163140.2 Ų140.276%0.76277%0.768SS**  cis-171137.7-10.5-176.4158166.600112.4
526V27.1Very low28.3Very low107 Ų107134.8 Ų134.865%0.64877%0.766SS**  trans25.4127.5146.6-173.40000121.2V528V526-V528 HydrophobicContact CG1-CG2 3.99Å
527Q28.1Very low28.3Very low186 Ų186135.1 Ų135.187%0.86976%0.763SS**  -176.7117.8118.6-95.7169.948.100109
528V25.4Very low28.3Very low108 Ų108139.2 Ų139.266%0.65577%0.765SS**  63.2104.671.4-177.80000111.4V526V526-V528 HydrophobicContact CG1-CG2 3.99Å
529S30.1Very low28.4Very low110 Ų110137.7 Ų137.777%0.76976%0.761SS**  -164.413883.4-57.20000108.8
530Q29.5Very low29.7Very low160 Ų160136 Ų13675%0.74876%0.759SS**  cis89.696.945.8-171.1175.79.700115.4
531A28.8Very low29.5Very low93 Ų93136 Ų13677%0.76976%0.76SS**  trans177.4119.7144.500000106.9
532Q27.7Very low29.6Very low147 Ų147133.6 Ų133.669%0.68776%0.761SS**  cis57.2127.347.6-74.4-165.1-82.100113.3
533L28.7Very low29.8Very low133 Ų133134.4 Ų134.470%0.69677%0.77SS**  cis-157.11378.5-102.2159.9000110.5
534E31.1Very low29.7Very low167 Ų167136.9 Ų136.978%0.7877%0.773SS**  52.5158.2124-72-69.4102.100124.6
535P43.8Very low29.9Very low108 Ų108140.3 Ų140.370%0.70178%0.782SS**  trans-111.5-177.6-157.444.2-38000115.6
536S27.1Very low30.2Very low121 Ų121140.2 Ų140.285%0.84678%0.782SS**  trans-153.1134.2162.265.70000116
537T28.3Very low30.4Very low130 Ų130142.6 Ų142.680%0.79879%0.79SS**  trans-69145.1175.4-34.90000115.1
538L26Very low30.7Very low166 Ų166140.4 Ų140.487%0.86978%0.784SS**  trans-171.8161.1130.8-13480.9000113.9
539V28.7Very low31.1Very low120 Ų120143.8 Ų143.873%0.72779%0.793SS**  trans-115.7-169.3177-151.80000109.5
540P53Low31.1Very low114 Ų114141.5 Ų141.574%0.7479%0.786SS**  -105.5-176.9-109.341.3-26.6000115.3
541S25.3Very low31Very low124 Ų124142.8 Ų142.887%0.86779%0.79SS**  trans-156.4136.8156.4-74.80000112.9
542C28Very low31.1Very low125 Ų125145.4 Ų145.485%0.84579%0.786SS**  trans-80.8167175.9-46.10000112.4
543L29Very low31.3Very low179 Ų179144.4 Ų144.494%0.93779%0.793SS**  trans-157.6156.7138.2-108.9179.1000113.1
544R27.4Very low31.2Very low213 Ų213141.8 Ų141.880%0.80480%0.799SS**  trans-124.2135.6-167.1173.8-170.7-173176.84.1107.8
545L29.7Very low31.1Very low172 Ų172142.2 Ų142.290%0.90181%0.806SS**  trans-139.2139.8169-100.7172.5000112.2
546Q31.9Very low30.3Very low162 Ų162140.9 Ų140.976%0.75781%0.812SS**  trans-139.8133.8-173.1176.9-179.22.800105
547L31.5Very low30.8Very low156 Ų156143.5 Ų143.582%0.81782%0.815SS**  trans-145.7127.6177.3-114.1167.7000110.9
548D33.3Very low30.8Very low141 Ų141141.9 Ų141.975%0.75482%0.816SS**  trans-114.3144.5178.9172.538.1000109.2
549Q33.4Very low31.1Very low179 Ų179142.7 Ų142.784%0.83682%0.815SS**  trans-175.7122.1162.2-116.5158.190.500111.2
550G30.3Very low31Very low61 Ų61148 Ų14863%0.62982%0.822SS**  trans-119.4166165.400000111.9
551F28.8Very low29.7Very low187 Ų187146.4 Ų146.482%0.8283%0.827SS**  trans-166.6134.6152.8-105.9-58.6000114.6
552H30.8Very low29.9Very low148 Ų148147.6 Ų147.669%0.68582%0.822SS**  trans58.1104.5149.9-70.6-34.9000125
553C30.2Very low29.8Very low126 Ų126147.6 Ų147.685%0.85182%0.824SS**  46.2125.1108.5-52.50000121.8
554G27.4Very low29.8Very low78 Ų78144.3 Ų144.380%0.80482%0.816SS**  trans-159.5106.9159.700000113.1
555N30.2Very low29.7Very low177 Ų177141.2 Ų141.295%0.94782%0.821SS**  trans-86.3141.1178.9-71.8-25.7000112.1
556G26.9Very low29.5Very low79 Ų79139.2 Ų139.281%0.81482%0.816SS**  trans-145.2112.8170.900000111.9
557L35.7Very low29.3Very low176 Ų176136.5 Ų136.592%0.92181%0.814SS**  trans-104.7161.3179.8-77.9169.5000112.2
558A29.8Very low29Very low97 Ų97134.5 Ų134.580%0.80281%0.813SS**  trans80.7144.3179.800000115.1
559Q31.1Very low28.6Very low182 Ų182137.7 Ų137.785%0.8582%0.82SS**  cis-153.2122.917.8-157.2169.912.500114.1
560R27.3Very low28.3Very low231 Ų231134.4 Ų134.487%0.87282%0.817SS**  trans26.7116.6143.4-164-179.2-165.3169.14.1120
561G26.3Very low28.1Very low82 Ų82136 Ų13685%0.84583%0.825SS**  trans-157.182.9163.700000113.1
562L29.2Very low28Very low148 Ų148135.2 Ų135.278%0.77583%0.829SS**  trans-75.9140.6176.1-73.5161.7000111.2
563S26.5Very low28Very low126 Ų126132.6 Ų132.688%0.88183%0.833SS**  trans-155.389.9154.4-80.50000111.1
564S27.3Very low27.9Very low110 Ų110134.4 Ų134.477%0.76983%0.834SS**  trans-94.2135.8157.3-53.30000108.2
565T27.1Very low28.1Very low147 Ų147135.8 Ų135.890%0.90283%0.831SS**  trans-124.4123.8164.546.60000110.3
566T25.6Very low27.9Very low130 Ų130130 Ų13080%0.79881%0.813SS**  trans-90.7140.8-166.6-42.80000111.7
567C26.1Very low28.1Very low106 Ų106133.6 Ų133.672%0.71681%0.814SS**  trans23.1134.2149.6-163.30000121.2
568S26.3Very low27.7Very low114 Ų114133.9 Ų133.980%0.79781%0.81SS**  trans-156.2119131.262.50000112.8
569F24.5Very low27.7Very low208 Ų208139.1 Ų139.191%0.91281%0.81SS**  trans-76142.4156-88.5-99.6000109.6
570S27.8Very low27.9Very low110 Ų110136.2 Ų136.277%0.76981%0.807SS**  trans-120.6112.7166.961.50000110.3
571A25.8Very low27.9Very low95 Ų95133 Ų13379%0.78580%0.8SS**  trans-81.7146170.600000110.8
572N27.1Very low27.9Very low170 Ų170137.5 Ų137.591%0.90980%0.798SS**  trans-142.1130.4157.1-85.3-49.1000107.7
573A29.7Very low27.7Very low93 Ų93138 Ų13877%0.76980%0.797SS**  trans-135125.1-18000000109.6
574D29Very low27.8Very low164 Ų164138.5 Ų138.588%0.87779%0.789SS**  trans171.2153.9157.1-104.6-17.8000107.8
575S31.4Very low27.7Very low107 Ų107139.1 Ų139.175%0.74879%0.787SS**  cis-162.4164.4-10.151.50000109.6
576G26.7Very low27.8Very low55 Ų55139.6 Ų139.657%0.56778%0.784SS**  trans95.197.2141.900000120.4
577N30.5Very low27.9Very low155 Ų155141.7 Ų141.783%0.82979%0.785SS**  127.4119.2108.4-64.2-37.2000119
578Q27.2Very low28.4Very low181 Ų181141.3 Ų141.385%0.84678%0.781SS**  trans67113.4144.3-65.3-176.16.900122.1
579W30.6Very low28.4Very low207 Ų207141.8 Ų141.878%0.78478%0.784SS**  trans-81.9163.6146.8-99.4-103.8000110.7F581W579-F581 AromaticContact CD1-CD2 3.87Å; W579-F581 AromaticContact CD1-CE2 3.61Å; W579-F581 HydrophobicContact CG-CE2 4.21Å
580P34.9Very low28.8Very low122 Ų122140.6 Ų140.679%0.79279%0.786SS**  -138.9164.7104.934.4-20.3000115.4
581F25.8Very low28.7Very low164 Ų164138.9 Ų138.972%0.71979%0.786SS**  trans-96.3160.1-178.1-75-104.7000113.7W579W579-F581 AromaticContact CD1-CD2 3.87Å; W579-F581 AromaticContact CD1-CE2 3.61Å; W579-F581 HydrophobicContact CG-CE2 4.21Å
582Q27.4Very low29.1Very low175 Ų175143.2 Ų143.282%0.81879%0.792SS**  trans-151.5121.8140.8-91.5125.379.400105.2
583E25.1Very low29.3Very low159 Ų159144.9 Ų144.974%0.74379%0.792SS**  5612874-73.7-153.6117.900112.5
584L28Very low29.5Very low137 Ų137147.5 Ų147.572%0.71779%0.793SS**  cis-164.2166.314.1-117.4173000111.9
585V26.1Very low29.7Very low122 Ų122145.2 Ų145.274%0.73979%0.787SS**  trans68.1113.9156.1179.30000120.1
586L29Very low30.1Very low158 Ų158146.2 Ų146.283%0.82779%0.791SS**  trans-92.4148.5142.8-81.3160.2000108.9
587E27.6Very low30.4Very low174 Ų174152.7 Ų152.781%0.81381%0.806SS**  -163.5153.9127.7-97.5-51.290.600110.1
588P36.2Very low30.4Very low97 Ų97152.4 Ų152.463%0.6380%0.804SS**  trans-108.8163.4-17040.3-31.9000113.9
589S26.9Very low30.6Very low125 Ų125151.7 Ų151.787%0.87480%0.801SS**  trans-156.1135.5162.4-73.50000114.7
590L32.3Very low30.6Very low182 Ų182149.3 Ų149.395%0.95380%0.803SS**  trans-33151.6167.9-86.577.3000117.9
591G26.2Very low30.3Very low75 Ų75151.1 Ų151.177%0.77381%0.806SS**  trans170.689.8152.600000115.5
592M33.4Very low30.6Very low185 Ų185147 Ų14791%0.91180%0.803SS**  trans-73.8136.3167.4-74.2-153.676.300111.7
593K31.3Very low30.9Very low205 Ų205146 Ų14689%0.89180%0.802SS**  trans-161147.6156.4-114.5160.7-176.5175.50112.3
594N33.7Very low31.3Very low148 Ų148147 Ų14779%0.79181%0.807SS**PPolyproline II helixtrans-70.6157.5-177.8-66.3-50.8000113
595P34.2Very low31.3Very low116 Ų116143.8 Ų143.875%0.75381%0.807SS**PPolyproline II helixtrans-71.4152.6164.832.3-34.8000111.8
596P38.8Very low31.4Very low129 Ų129144.4 Ų144.484%0.83882%0.817SS**PPolyproline II helixtrans-85158.7-174.233.8-36000114.6
597Q33.8Very low31.5Very low191 Ų191141.3 Ų141.389%0.89381%0.814SS**PPolyproline II helixtrans-96.4156.9165.5-65173.8-57.200111.1
598L30.8Very low31.7Very low149 Ų149139.2 Ų139.278%0.7882%0.818SS**  trans-161.9105.3155.7-156.866.8000105.5
599E30.7Very low31.6Very low166 Ų166141.5 Ų141.578%0.77683%0.825SS**  53.5103.494.6-63.8-177.6164.900111
600D30.3Very low31.8Very low156 Ų156142.1 Ų142.183%0.83482%0.824SS**  cis76.8116.545.6-157.920.4000113.3
601D29.8Very low32.1Very low161 Ų161142.2 Ų142.286%0.86182%0.819SS**  trans-165.8106.4163.6-117.9-21.4000112.8
602A31.9Very low32.2Very low77 Ų77141.6 Ų141.664%0.63681%0.813SS**  trans18.1131.5149.900000122.9
603L33.8Very low32.3Very low153 Ų153143.7 Ų143.780%0.80181%0.811SS**  -174.1162.195.5-98.1166.3000114.4
604E32.1Very low32.5Very low181 Ų181143.1 Ų143.185%0.84681%0.812SS**  trans-30152.4-179.2-62163.1122.200118.8
605G28Very low32.8Very low70 Ų70141.5 Ų141.572%0.72281%0.807SS**  cis159.1-1732.600000112.7
606S28.2Very low33.2Very low135 Ų135142.2 Ų142.294%0.94481%0.809SS**  trans79.9144.7177.2-155.80000117.8
607A31.6Very low33.1Very low93 Ų93138.9 Ų138.977%0.76980%0.798SS**  trans-127.6151.5-163.200000112.8
608S32.2Very low33.2Very low129 Ų129140.5 Ų140.590%0.90280%0.796SS**  trans-162.7159.1139.946.30000110.4
609N33.4Very low33.6Very low145 Ų145139.9 Ų139.978%0.77579%0.792SS**  trans-112.9127.8-153.7-1809000111.6
610T32.3Very low34Very low139 Ų139141.6 Ų141.685%0.85379%0.791SS**  trans-146.3132.9153.235.10000111.8G612T610-G612 PolarHBondContact O-N 3.43Å
611Q38.2Very low34.4Very low183 Ų183137 Ų13786%0.85578%0.775SS**  trans-68.887.4-175.8-177.877.2-15.700112.3R613Q611-R613 PolarHBondContact O-N 3.02Å
612G27.6Very low35.1Very low63 Ų63132.6 Ų132.665%0.64976%0.757SS**  trans-74.9112.3172.100000112.6T610 Q614T610-G612 PolarHBondContact O-N 3.43Å; G612-Q614 PolarHBondContact O-N 3.38Å
613R35.6Very low35.7Very low228 Ų228133.6 Ų133.686%0.8675%0.751SS**  trans-65.794.3-175.2-151.1178.9-160.1-106.47112.3Q611 V615Q611-R613 PolarHBondContact O-N 3.02Å; R613-V615 HydrophobicContact CG-CG2 4.44Å; R613-V615 PolarHBondContact O-N 3.19Å
614Q35.9Very low36.2Very low194 Ų194130.6 Ų130.691%0.90774%0.739SS**  trans-70.694.5175.2-73.2-169.88.300112.4G612G612-Q614 PolarHBondContact O-N 3.38Å
615V40.4Very low36.7Very low113 Ų113127.9 Ų127.969%0.68573%0.73SS**  trans-138.444.5167.3-159.40000112R613R613-V615 HydrophobicContact CG-CG2 4.44Å; R613-V615 PolarHBondContact O-N 3.19Å
616T42.6Very low37.4Very low131 Ų131129 Ų12980%0.80472%0.718SS**SBendtrans-139.514.4178.3-18.70000114.7
617G35.6Very low38.2Very low59 Ų59128.3 Ų128.361%0.60870%0.703SS**SBendtrans-94.7-32.9-179.800000115.6
618R36.4Very low38.4Very low225 Ų225129.2 Ų129.285%0.84969%0.69SS**Hα-helixtrans-79.1-37.9-160.8-142.3170.3-172.6167.7-0.1114.5A621 S622R618-A621 PolarHBondContact O-N 3.44Å; R618-S622 PolarHBondContact O-N 2.91Å
619I39.7Very low38.7Very low137 Ų137127 Ų12770%0.70367%0.671SS**Hα-helixtrans-71.3-39.5-175.7-58.8174.9000111.8A621 S622 L623I619-A621 VanDerWaalsContact C-N 3.33Å; I619-A621 PolarHBondContact O-N 3.46Å; I619-S622 PolarHBondContact O-N 3.44Å; I619-L623 HydrophobicContact CG2-CD1 4.31Å; I619-L623 PolarHBondContact O-N 3.1Å
620R38.4Very low39Very low201 Ų201126.3 Ų126.376%0.75867%0.666SS**Hα-helixtrans-65.4-34.3176.8-79.7-175.2171.8-176.1-2.7112.5V624R620-V624 WeakPolarHBondContact O-CB 3.5Å; R620-V624 VanDerWaalsContact O-CG2 3.24Å; R620-V624 WeakPolarHBondContact O-CG2 3.33Å; R620-V624 PolarHBondContact O-N 3.02Å
621A38.4Very low39.1Very low60 Ų60130.7 Ų130.750%0.49667%0.667SS.*Hα-helixtrans-63.2-45.7177.300000112.2R618 I619 V624 L625R618-A621 PolarHBondContact O-N 3.44Å; I619-A621 VanDerWaalsContact C-N 3.33Å; I619-A621 PolarHBondContact O-N 3.46Å; A621-V624 PolarHBondContact O-N 3.5Å; A621-L625 WeakPolarHBondContact O-CB 3.34Å; A621-L625 PolarHBondContact O-N 3.1Å
622S45.1Very low38.9Very low69 Ų69130.9 Ų130.948%0.48366%0.66SS.*Hα-helixtrans-63.8-45.8179-58.30000112.5R618 I619 V624 L625 I626R618-S622 PolarHBondContact O-N 2.91Å; I619-S622 PolarHBondContact O-N 3.44Å; S622-V624 PolarHBondContact O-N 2.85Å; S622-L625 PolarHBondContact O-N 3.17Å; S622-I626 VanDerWaalsContact O-CG1 3.32Å; S622-I626 WeakPolarHBondContact O-CG1 3.3Å; S622-I626 PolarHBondContact O-N 3.48Å
623L44.5Very low39.6Very low98 Ų98138.1 Ų138.151%0.51367%0.668SS.*Hα-helixtrans-63.8-41.7177.7-68.7172.7000112.2I619 L625 I626 L627I619-L623 HydrophobicContact CG2-CD1 4.31Å; I619-L623 PolarHBondContact O-N 3.1Å; L623-L625 VanDerWaalsContact C-N 3.31Å; L623-L625 PolarHBondContact O-N 3.18Å; L623-I626 PolarHBondContact O-N 3.43Å; L623-L627 WeakPolarHBondContact O-CD1 3.5Å; L623-L627 PolarHBondContact O-N 3.01Å
624V43.6Very low39.9Very low89 Ų89134.4 Ų134.454%0.53966%0.664SS.*Hα-helixtrans-65.1-35.6175.11700000111.4R620 A621 S622 K628R620-V624 WeakPolarHBondContact O-CB 3.5Å; R620-V624 VanDerWaalsContact O-CG2 3.24Å; R620-V624 WeakPolarHBondContact O-CG2 3.33Å; R620-V624 PolarHBondContact O-N 3.02Å; A621-V624 PolarHBondContact O-N 3.5Å; S622-V624 PolarHBondContact O-N 2.85Å; V624-K628 WeakPolarHBondContact O-CB 3.25Å; V624-K628 PolarHBondContact O-N 3.22Å
625L42.4Very low40Very low124 Ų124130.6 Ų130.665%0.64966%0.656SS**Hα-helixtrans-66-44.1176.2-158.173.3000111.3A621 S622 L623 K628 T629A621-L625 WeakPolarHBondContact O-CB 3.34Å; A621-L625 PolarHBondContact O-N 3.1Å; S622-L625 PolarHBondContact O-N 3.17Å; L623-L625 VanDerWaalsContact C-N 3.31Å; L623-L625 PolarHBondContact O-N 3.18Å; L625-K628 PolarHBondContact O-N 3.27Å; L625-K628 VanDerWaalsContact O-N 3.17Å; L625-T629 PolarHBondContact O-N 3.01Å; L625-T629 PolarHBondContact O-OG1 3.24Å; L625-T629 VanDerWaalsContact O-OG1 3.12Å
626I43.6Very low39.6Very low93 Ų93135.1 Ų135.148%0.47767%0.667SS.*Hα-helixtrans-61.9-47.8176.8-67.6163.6000111.4S622 L623 K628 T629 I630S622-I626 VanDerWaalsContact O-CG1 3.32Å; S622-I626 WeakPolarHBondContact O-CG1 3.3Å; S622-I626 PolarHBondContact O-N 3.48Å; L623-I626 PolarHBondContact O-N 3.43Å; I626-K628 PolarHBondContact O-N 2.91Å; I626-T629 PolarHBondContact O-OG1 3.32Å; I626-I630 HydrophobicContact CG2-CD1 4.06Å; I626-I630 WeakPolarHBondContact O-CG1 3.5Å; I626-I630 PolarHBondContact O-N 3.02Å
627L44.1Very low39Very low121 Ų121133.5 Ų133.563%0.63466%0.661SS**Hα-helixtrans-62.1-32.1174.7-91.390.7000112.5L623 R631L623-L627 WeakPolarHBondContact O-CD1 3.5Å; L623-L627 PolarHBondContact O-N 3.01Å; L627-R631 WeakPolarHBondContact O-CB 3.44Å; L627-R631 PolarHBondContact O-N 3.38Å
628K37.3Very low39.2Very low112 Ų112140.5 Ų140.549%0.48768%0.675SS.*Hα-helixtrans-85.3-23-174.2-160164.7-167.7167.40113.6V624 L625 I626 R632V624-K628 WeakPolarHBondContact O-CB 3.25Å; V624-K628 PolarHBondContact O-N 3.22Å; L625-K628 PolarHBondContact O-N 3.27Å; L625-K628 VanDerWaalsContact O-N 3.17Å; I626-K628 PolarHBondContact O-N 2.91Å; K628-R632 WeakPolarHBondContact O-CB 3.4Å; K628-R632 WeakPolarHBondContact O-CG 3.23Å; K628-R632 PolarHBondContact O-N 3.2Å
629T38.5Very low38.7Very low83 Ų83141.3 Ų141.351%0.50968%0.678SS.*Hα-helixtrans-74.6-44.9166.340.80000111.4L625 I626 R631 R632 R633L625-T629 PolarHBondContact O-N 3.01Å; L625-T629 PolarHBondContact O-OG1 3.24Å; L625-T629 VanDerWaalsContact O-OG1 3.12Å; I626-T629 PolarHBondContact O-OG1 3.32Å; T629-R631 VanDerWaalsContact C-N 3.33Å; T629-R631 PolarHBondContact O-N 3.36Å; T629-R632 PolarHBondContact O-N 2.95Å; T629-R632 VanDerWaalsContact O-N 3.16Å; T629-R633 PolarHBondContact O-N 3.16Å
630I39.4Very low38.4Very low131 Ų131146.3 Ų146.367%0.67269%0.688SS**Hα-helixtrans-57.5-46.6175.3-65.7167.7000110.4I626 R632I626-I630 HydrophobicContact CG2-CD1 4.06Å; I626-I630 WeakPolarHBondContact O-CG1 3.5Å; I626-I630 PolarHBondContact O-N 3.02Å; I630-R632 VanDerWaalsContact C-N 3.28Å; I630-R632 PolarHBondContact O-N 2.99Å
631R33.3Very low37.9Very low231 Ų231142.9 Ų142.987%0.87268%0.684SS**THydrogen-bonded Turntrans-75.8-4.1-179.4-166.4168.8171.8168.7-0.4115.1L627 T629L627-R631 WeakPolarHBondContact O-CB 3.44Å; L627-R631 PolarHBondContact O-N 3.38Å; T629-R631 VanDerWaalsContact C-N 3.33Å; T629-R631 PolarHBondContact O-N 3.36Å
632R34.5Very low37.4Very low187 Ų187144.4 Ų144.471%0.70670%0.697SS**THydrogen-bonded Turntrans-109.5-6.1179.9-81.4-178162.6170-8.2115.4K628 T629 I630 L634K628-R632 WeakPolarHBondContact O-CB 3.4Å; K628-R632 WeakPolarHBondContact O-CG 3.23Å; K628-R632 PolarHBondContact O-N 3.2Å; T629-R632 PolarHBondContact O-N 2.95Å; T629-R632 VanDerWaalsContact O-N 3.16Å; I630-R632 VanDerWaalsContact C-N 3.28Å; I630-R632 PolarHBondContact O-N 2.99Å; R632-L634 PolarHBondContact O-N 3.08Å
633R41.7Very low36.6Very low215 Ų215149.3 Ų149.381%0.81171%0.709SS**SBendtrans-98.568.2173.4-76.2-168.5171.5-170.5-0.1112.2T629T629-R633 PolarHBondContact O-N 3.16Å
634L42.8Very low35.8Very low150 Ų150156.2 Ų156.279%0.78573%0.729SS**  trans-168.698.2159.7-104.1154.8000107.9R632R632-L634 PolarHBondContact O-N 3.08Å
635P37.8Very low35.1Very low114 Ų114161.8 Ų161.874%0.7475%0.746SS**  -143.8116109.733.9-17.8000112.8
636F33Very low34.6Very low207 Ų207160.8 Ų160.891%0.90876%0.756SS**  trans-95.393.9167.5-79.4-73.3000110.7
637S30Very low33.8Very low98 Ų98158.9 Ų158.969%0.68576%0.759SS**  trans-88.2120.6164.646.20000110.3
638K39.5Very low33.4Very low205 Ų205159.6 Ų159.689%0.89177%0.771SS**  trans24.996.4161.9-74.2176.5173.9169.80117
639W26.2Very low33.1Very low242 Ų242163.7 Ų163.792%0.91779%0.792SS**  trans-118.9127.2150.6-8369.3000109.8
640R31.4Very low32.8Very low243 Ų243163.9 Ų163.992%0.91780%0.802SS**  trans-119100.4-178.3-166.1-158.5-48.4-130.310.5106.4
641L28.6Very low32.5Very low129 Ų129166.2 Ų166.268%0.67581%0.81SS**PPolyproline II helixtrans-97.6120.6-178.8-160.267.9000110.1F643L641-F643 HydrophobicContact CD2-CE2 3.78Å; L641-F643 HydrophobicContact CD2-CZ 3.96Å; L641-F643 HydrophobicContact CG-CE2 4.38Å
642A28.7Very low32.4Very low92 Ų92160.9 Ų160.976%0.7681%0.808SS**PPolyproline II helixtrans-89120.917400000109.4
643F28.3Very low32.3Very low171 Ų171156.7 Ų156.775%0.7581%0.813SS**PPolyproline II helixtrans-94.3119.4164.9-81.2-81.9000109.5L641L641-F643 HydrophobicContact CD2-CE2 3.78Å; L641-F643 HydrophobicContact CD2-CZ 3.96Å; L641-F643 HydrophobicContact CG-CE2 4.38Å
644R27.9Very low31.7Very low244 Ų244155.7 Ų155.792%0.92182%0.817SS**PPolyproline II helixtrans-86.9123.1161.1-58.5-173.3-163.3-148.36.2107.2
645F28.7Very low31.4Very low205 Ų205155.5 Ų155.590%0.89982%0.816SS**PPolyproline II helixtrans-76.2124159.3-80.9-90.7000108.4G647F645-G647 PolarHBondContact O-N 3.44Å
646A31Very low31.5Very low103 Ų103155.2 Ų155.285%0.85181%0.814SS**  trans-79.5104.6159.500000106.9
647G28.3Very low31.4Very low53 Ų53152.9 Ų152.955%0.54681%0.811SS.*PPolyproline II helixtrans-71.5150.8174.700000111.4F645 H649F645-G647 PolarHBondContact O-N 3.44Å; G647-H649 PolarHBondContact O-N 3.1Å
648P33.7Very low31.7Very low137 Ų137154.8 Ų154.889%0.8982%0.819SS**PPolyproline II helixtrans-66.4126.2172.428.1-33000110.1A650P648-A650 PolarHBondContact O-N 3.44Å
649H31.4Very low31.5Very low198 Ų198149.7 Ų149.792%0.91782%0.815SS**PPolyproline II helixtrans-78.3117.6173.6-98.1-77.1000111G647G647-H649 PolarHBondContact O-N 3.1Å
650A32.2Very low31.8Very low87 Ų87141.7 Ų141.772%0.71981%0.807SS**  trans-127.5145149.400000105.9P648P648-A650 PolarHBondContact O-N 3.44Å
651E33Very low32Very low180 Ų180141.7 Ų141.784%0.84181%0.807SS**  cis-138.81715-57167.8105.900109.2
652S30.8Very low32.4Very low119 Ų119142.3 Ų142.383%0.83282%0.816SS**  -177.3114.9124.4-81.30000110.7
653A32.3Very low32.9Very low98 Ų98145.4 Ų145.481%0.8182%0.815SS**  trans-82.1113.6169.900000110.1I655A653-I655 PolarHBondContact O-N 3.45Å
654E30.2Very low33.3Very low194 Ų194147.4 Ų147.491%0.90782%0.818SS**  trans-75.1114165.6-78.4-165.9135.200110.2P656E654-P656 WeakPolarHBondContact O-CD 3.46Å
655I36Very low33.7Very low147 Ų147144.2 Ų144.275%0.75482%0.815SS**  trans-79.6120.5168.6-60.9172.6000108.1A653 N657A653-I655 PolarHBondContact O-N 3.45Å; I655-N657 PolarHBondContact O-N 3.04Å
656P39.5Very low34.1Very low107 Ų107139.6 Ų139.670%0.69582%0.815SS**  trans-74.8111.1179.428.4-33.2000111.5E654 T658E654-P656 WeakPolarHBondContact O-CD 3.46Å; P656-T658 PolarHBondContact O-N 3.26Å
657N31.7Very low34.6Very low158 Ų158142 Ų14285%0.84585%0.85SS**  trans-61.8104.7173.4-80.3-55.7000111.7I655I655-N657 PolarHBondContact O-N 3.04Å
658T35.5Very low34.9Very low139 Ų139146.5 Ų146.585%0.85387%0.865SS**  trans-102.874.1171.140.60000111.3P656P656-T658 PolarHBondContact O-N 3.26Å
659A34.9Very low35Very low98 Ų98146.9 Ų146.981%0.8186%0.864SS**  trans-101.695.4176.500000112.5
660G34.2Very low35.2Very low74 Ų74144.1 Ų144.176%0.76386%0.861SS**  trans45.1108.4144.200000120.8
661R36Very low35.4Very low243 Ų243147.5 Ų147.592%0.91787%0.869SS**  trans-103.294.6153.3-169.6-176.3-167.1-1785.7110.7
662T36.3Very low35.5Very low141 Ų141145.4 Ų145.487%0.86587%0.871SS**  trans-123.7144.2163.324.80000110.7
663Q39.5Very low35.8Very low158 Ų158147.2 Ų147.274%0.73887%0.874SS**  trans-97.3173.2-167.9-65.7174.8-39.900113.7
664R35.5Very low36.1Very low213 Ų213150.7 Ų150.780%0.80488%0.878SS**  trans87.3117164.6-67.8176.7-110.3-177.4-4.6114.1
665M36.5Very low36.5Very low176 Ų176147.4 Ų147.487%0.86788%0.876SS**  74.2118.459.6-79.2-136.3-66.300113.9
666A38.5Very low36.6Very low108 Ų108147.4 Ų147.489%0.89389%0.886SS**  trans60.2122.6147.700000118.5
667G40.9Very low36.3Very low154 Ų154151.1 Ų151.1100%1.58890%0.904SS**  trans158.90177.100000109.7

Retrieved 667 of 667 residues in 270.1 ms (Link to these results)