A0A087Y6I8_POEFO Loading...

Optineurin

May act by regulating membrane trafficking and cellular morphogenesis.

AlphaFold DB , UniProt , Accession A0A087Y6I8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 524 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
1M39.9Very low46.5Very low249 Ų249132.1 Ų132.1100%1.22786%0.858SS**  0125.60-73.9-161.9168.200107.8
2A49.9Very low46.2Very low98 Ų98131.8 Ų131.881%0.8185%0.851SS**  trans-76.1144.1179.300000110.4
3S42.5Very low46.6Very low127 Ų127131.2 Ų131.289%0.88885%0.847SS**  trans-159.7100.4153.6-75.30000107.7
4G57.1Low46.5Very low87 Ų87138.7 Ų138.790%0.89785%0.851SS**  trans-77.9143.8164.100000109.9
5G39.2Very low46.4Very low69 Ų69136.8 Ų136.871%0.71184%0.842SS**  trans-137150.6169.900000109.7
6P52.1Low47Very low120 Ų120136.9 Ų136.978%0.77985%0.845SS**  trans-87.1145.1-147.533-33.9000114.2V8P6-V8 PolarHBondContact O-N 2.75Å
7M44.7Very low47.2Very low186 Ų186133.1 Ų133.192%0.91684%0.839SS**  trans-75.6115168.3-59.3-171.183.600108.9
8V46Very low47.1Very low133 Ų133136.4 Ų136.481%0.80684%0.842SS**  trans-89.1113.5170.2-175.50000107.3P6 G10P6-V8 PolarHBondContact O-N 2.75Å; V8-G10 PolarHBondContact O-N 3.42Å
9N51.7Low47.2Very low152 Ų152138.8 Ų138.881%0.81385%0.848SS**  trans-57.7118.8168.3-82.3-24.5000109.5
10G39.4Very low47.5Very low70 Ų70133.4 Ų133.472%0.72282%0.821SS**  trans-105.494.816100000108.6V8 V12V8-G10 PolarHBondContact O-N 3.42Å; G10-V12 PolarHBondContact O-N 3.15Å
11D48.7Very low48.6Very low162 Ų162131 Ų13187%0.86681%0.807SS**  trans-64.2119.2163.6-88.8-51000108.9
12V43.6Very low50.2Low129 Ų129126 Ų12678%0.78278%0.784SS**  trans-107.4127.5169178.60000107.7G10 R14G10-V12 PolarHBondContact O-N 3.15Å; V12-R14 PolarHBondContact O-N 3.35Å
13P50.7Low51.7Low123 Ų123127.8 Ų127.880%0.79978%0.776SS**PPolyproline II helixtrans-73.3129.2-175.329.1-32.1000111
14R45.7Very low53.8Low237 Ų237126.4 Ų126.489%0.89476%0.755SS**PPolyproline II helixtrans-80.2132.5179.2-164.1-177.6-156.2-179.16110.7V12V12-R14 PolarHBondContact O-N 3.35Å
15P44.1Very low55.1Low110 Ų110125.4 Ų125.471%0.71473%0.732SS**PPolyproline II helixtrans-77.7146.416630.9-29.5000110.5
16P56.1Low57.4Low138 Ų138125 Ų12590%0.89672%0.716SS**SBendtrans-87.4119.9-17633.2-28.9000110.1
17G50.5Low59.3Low72 Ų72124.6 Ų124.674%0.74270%0.703SS**  trans132.980.9164.500000114.8
18Q46.6Very low61.5Low193 Ų193121.8 Ų121.890%0.90269%0.688SS**  trans-168.590140.9-110.9167.811.600107.9G20Q18-G20 PolarHBondContact O-N 3.43Å; Q18-G20 VanDerWaalsContact O-N 3.08Å
19L47.7Very low63.7Low182 Ų182120.4 Ų120.495%0.95367%0.674SS**  trans-71.787.2154.2-88145.7000105.7
20G54.3Low65.7Low30 Ų30117.5 Ų117.531%0.30966%0.659SS.*  trans-56.2140.8160.700000108.1Q18 E24Q18-G20 PolarHBondContact O-N 3.43Å; Q18-G20 VanDerWaalsContact O-N 3.08Å; G20-E24 WeakPolarHBondContact CA-OE2 3.34Å
21T70.6Confident68.4Low84 Ų84118.8 Ų118.852%0.51565%0.648SS.*  trans-57.6149.9-179.254.40000109.5E23 E24 T25T21-E23 PolarHBondContact O-N 3.48Å; T21-E24 PolarHBondContact N-OE2 3.4Å; T21-E24 PolarHBondContact O-N 3.46Å; T21-E24 WeakPolarHBondContact OG1-CG 3.04Å; T21-T25 PolarHBondContact O-N 2.63Å
22L73.9Confident70.6Confident144 Ų144116.3 Ų116.375%0.75463%0.634SS**Hα-helixtrans-47.8-34.5178.9-179.466000111.8T25 V26L22-T25 PolarHBondContact O-N 3.28Å; L22-T25 PolarHBondContact O-OG1 3.34Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 2.99Å; L22-V26 VanDerWaalsContact O-N 3.08Å
23E81.4Confident73Confident135 Ų135113.3 Ų113.363%0.63161%0.613SS**Hα-helixtrans-63.7-43.2177-167.4160.3-161.500113.8T21 T25 V26 Q27T21-E23 PolarHBondContact O-N 3.48Å; E23-T25 VanDerWaalsContact C-N 3.34Å; E23-T25 PolarHBondContact O-N 3.18Å; E23-V26 PolarHBondContact O-N 3.47Å; E23-Q27 WeakPolarHBondContact O-CG 3Å; E23-Q27 PolarHBondContact O-N 3.34Å
24E84.7Confident75.2Confident98 Ų98111.5 Ų111.546%0.45859%0.594SS.*Hα-helixtrans-64.7-39.1176.6-70.4167.5160.800111.5G20 T21 Q27 Q28G20-E24 WeakPolarHBondContact CA-OE2 3.34Å; T21-E24 PolarHBondContact N-OE2 3.4Å; T21-E24 PolarHBondContact O-N 3.46Å; T21-E24 WeakPolarHBondContact OG1-CG 3.04Å; E24-Q27 PolarHBondContact O-N 3.44Å; E24-Q28 WeakPolarHBondContact O-CG 2.88Å; E24-Q28 PolarHBondContact O-N 3.39Å
25T84.8Confident77.6Confident66 Ų66104.9 Ų104.941%0.40557%0.573SS.*Hα-helixtrans-67.2-36.4176.463.80000112.4T21 L22 E23 Q28 M29T21-T25 PolarHBondContact O-N 2.63Å; L22-T25 PolarHBondContact O-N 3.28Å; L22-T25 PolarHBondContact O-OG1 3.34Å; E23-T25 VanDerWaalsContact C-N 3.34Å; E23-T25 PolarHBondContact O-N 3.18Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-M29 WeakPolarHBondContact O-CB 3.48Å; T25-M29 PolarHBondContact O-N 3.05Å
26V88.9Confident80Confident62 Ų62103.3 Ų103.338%0.37656%0.558SS.*Hα-helixtrans-68.7-39.1175.1169.70000110.9L22 E23 M29 N30L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 2.99Å; L22-V26 VanDerWaalsContact O-N 3.08Å; E23-V26 PolarHBondContact O-N 3.47Å; V26-M29 PolarHBondContact O-N 2.69Å; V26-N30 PolarHBondContact O-N 3.1Å; V26-N30 PolarHBondContact O-ND2 2.68Å
27Q90.9Very high81.9Confident110 Ų110104 Ų10451%0.51454%0.543SS..Hα-helixtrans-63.4-45.9174.3-73176.510.500111.7E23 E24 M29 N30 I31E23-Q27 WeakPolarHBondContact O-CG 3Å; E23-Q27 PolarHBondContact O-N 3.34Å; E24-Q27 PolarHBondContact O-N 3.44Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 2.81Å; Q27-N30 PolarHBondContact O-N 3.31Å; Q27-I31 WeakPolarHBondContact O-CG1 3.29Å; Q27-I31 PolarHBondContact O-N 3.06Å
28Q91.9Very high84.1Confident127 Ų127104.9 Ų104.959%0.59353%0.531SS*.Hα-helixtrans-60.4-41.6174.6-73.8177.7-6.200112.1E24 T25 N30 I31 L32E24-Q28 WeakPolarHBondContact O-CG 2.88Å; E24-Q28 PolarHBondContact O-N 3.39Å; T25-Q28 PolarHBondContact O-N 3.46Å; Q28-N30 VanDerWaalsContact C-N 3.35Å; Q28-N30 PolarHBondContact O-N 3.17Å; Q28-I31 PolarHBondContact O-N 3.43Å; Q28-L32 WeakPolarHBondContact O-CG 2.93Å; Q28-L32 PolarHBondContact O-N 2.71Å
29M92.2Very high86.6Confident105 Ų105101.4 Ų101.452%0.51752%0.518SS..Hα-helixtrans-62.5-40.8175.6-172.6177.769.100112.1T25 V26 Q27 L32 I33T25-M29 WeakPolarHBondContact O-CB 3.48Å; T25-M29 PolarHBondContact O-N 3.05Å; V26-M29 PolarHBondContact O-N 2.69Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 2.81Å; M29-L32 PolarHBondContact O-N 2.94Å; M29-I33 HydrophobicContact CG-CD1 4.04Å; M29-I33 VanDerWaalsContact O-CG1 3.24Å; M29-I33 WeakPolarHBondContact O-CG1 3.48Å; M29-I33 PolarHBondContact O-N 3.25Å
30N93.8Very high88.9Confident91 Ų9199.2 Ų99.249%0.48750%0.501SS..Hα-helixtrans-65.2-39.2176.3-77.5-31.3000112.4V26 Q27 Q28 I33 Q34V26-N30 PolarHBondContact O-N 3.1Å; V26-N30 PolarHBondContact O-ND2 2.68Å; Q27-N30 PolarHBondContact O-N 3.31Å; Q28-N30 VanDerWaalsContact C-N 3.35Å; Q28-N30 PolarHBondContact O-N 3.17Å; N30-I33 PolarHBondContact O-N 3.48Å; N30-Q34 WeakPolarHBondContact O-CB 3.47Å; N30-Q34 PolarHBondContact O-N 3.43Å
31I94.4Very high91Very high97 Ų97102 Ų10250%0.49751%0.505SS..Hα-helixtrans-61.4-49.5174.1-66.9165.7000109.9Q27 Q28 I33 Q34 E35Q27-I31 WeakPolarHBondContact O-CG1 3.29Å; Q27-I31 PolarHBondContact O-N 3.06Å; Q28-I31 PolarHBondContact O-N 3.43Å; I31-I33 VanDerWaalsContact C-N 3.31Å; I31-I33 PolarHBondContact O-N 2.74Å; I31-Q34 WeakPolarHBondContact O-CA 3.5Å; I31-Q34 WeakPolarHBondContact O-CB 3.3Å; I31-Q34 PolarHBondContact O-N 3.45Å; I31-E35 HydrophobicContact CG2-CG 4.3Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.4Å; I31-E35 WeakPolarHBondContact O-CG 3.34Å; I31-E35 PolarHBondContact O-N 2.82Å
32L95.3Very high92.2Very high109 Ų109100.5 Ų100.557%0.57150%0.502SS*.Hα-helixtrans-61.5-37.4178.2-71.6173.1000112.8Q28 M29 Q34 N36Q28-L32 WeakPolarHBondContact O-CG 2.93Å; Q28-L32 PolarHBondContact O-N 2.71Å; M29-L32 PolarHBondContact O-N 2.94Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-N36 VanDerWaalsContact O-CB 3.22Å; L32-N36 WeakPolarHBondContact O-CB 3.37Å; L32-N36 PolarHBondContact O-N 3.01Å
33I95Very high93.3Very high66 Ų6698.7 Ų98.734%0.33849%0.492SS..Hα-helixtrans-63.8-41.4174.3-72165.2000110.5M29 N30 I31 N36 R37M29-I33 HydrophobicContact CG-CD1 4.04Å; M29-I33 VanDerWaalsContact O-CG1 3.24Å; M29-I33 WeakPolarHBondContact O-CG1 3.48Å; M29-I33 PolarHBondContact O-N 3.25Å; N30-I33 PolarHBondContact O-N 3.48Å; I31-I33 VanDerWaalsContact C-N 3.31Å; I31-I33 PolarHBondContact O-N 2.74Å; I33-N36 PolarHBondContact O-N 3.35Å; I33-R37 WeakPolarHBondContact O-CG 3.05Å; I33-R37 PolarHBondContact O-N 2.85Å
34Q96.3Very high94Very high85 Ų8598.4 Ų98.440%0.39749%0.485SS..Hα-helixtrans-67-48.7178.4-171.656.542.500111.2N30 I31 L32 N36 R37 D38N30-Q34 WeakPolarHBondContact O-CB 3.47Å; N30-Q34 PolarHBondContact O-N 3.43Å; I31-Q34 WeakPolarHBondContact O-CA 3.5Å; I31-Q34 WeakPolarHBondContact O-CB 3.3Å; I31-Q34 PolarHBondContact O-N 3.45Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; Q34-N36 VanDerWaalsContact C-N 3.26Å; Q34-N36 PolarHBondContact O-N 3.27Å; Q34-R37 WeakPolarHBondContact O-CA 3.41Å; Q34-R37 WeakPolarHBondContact O-CB 3.34Å; Q34-R37 PolarHBondContact O-N 3.03Å; Q34-D38 PolarHBondContact NE2-OD1 3.38Å; Q34-D38 VanDerWaalsContact O-CG 3.27Å; Q34-D38 PolarHBondContact O-N 3.46Å
35E95.5Very high94.6Very high99 Ų9997.7 Ų97.746%0.46348%0.482SS..Hα-helixtrans-57.9-39.4174.7-70.1175.8175.400111.6I31 R37 D38 L39I31-E35 HydrophobicContact CG2-CG 4.3Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.4Å; I31-E35 WeakPolarHBondContact O-CG 3.34Å; I31-E35 PolarHBondContact O-N 2.82Å; E35-R37 PolarHBondContact O-N 2.97Å; E35-D38 PolarHBondContact O-N 3.33Å; E35-L39 WeakPolarHBondContact O-CB 2.93Å; E35-L39 VanDerWaalsContact O-CG 3.26Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.47Å
36N95.8Very high95.1Very high76 Ų7698.2 Ų98.241%0.40649%0.485SS..Hα-helixtrans-66.2-36.5176.1-164.5-93.7000112.6L32 I33 Q34 K40L32-N36 VanDerWaalsContact O-CB 3.22Å; L32-N36 WeakPolarHBondContact O-CB 3.37Å; L32-N36 PolarHBondContact O-N 3.01Å; I33-N36 PolarHBondContact O-N 3.35Å; Q34-N36 VanDerWaalsContact C-N 3.26Å; Q34-N36 PolarHBondContact O-N 3.27Å; N36-K40 WeakPolarHBondContact O-CB 3.06Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.41Å; N36-K40 PolarHBondContact O-N 3.32Å; N36-K40 WeakPolarHBondContact OD1-CE 3.25Å; N36-K40 PolarHBondContact OD1-NZ 3.45Å
37R96.4Very high95.5Very high154 Ų15499.7 Ų99.758%0.58149%0.491SS*.Hα-helixtrans-66.7-44.7173.4-74.9174.5-175.9165.51.5111I33 Q34 E35 K40 E41I33-R37 WeakPolarHBondContact O-CG 3.05Å; I33-R37 PolarHBondContact O-N 2.85Å; Q34-R37 WeakPolarHBondContact O-CA 3.41Å; Q34-R37 WeakPolarHBondContact O-CB 3.34Å; Q34-R37 PolarHBondContact O-N 3.03Å; E35-R37 PolarHBondContact O-N 2.97Å; R37-K40 WeakPolarHBondContact O-CB 3.35Å; R37-K40 PolarHBondContact O-N 3.4Å; R37-E41 PolarHBondContact O-N 2.93Å
38D96.7Very high95.8Very high89 Ų8997.6 Ų97.648%0.47648%0.483SS..Hα-helixtrans-65.2-41.2-179.5-63.7-18.4000110.9Q34 E35 K40 E41 A42Q34-D38 PolarHBondContact NE2-OD1 3.38Å; Q34-D38 VanDerWaalsContact O-CG 3.27Å; Q34-D38 PolarHBondContact O-N 3.46Å; E35-D38 PolarHBondContact O-N 3.33Å; D38-K40 PolarHBondContact O-N 3.47Å; D38-E41 PolarHBondContact O-N 3.01Å; D38-A42 WeakPolarHBondContact O-CB 3.05Å; D38-A42 PolarHBondContact O-N 2.82Å
39L97.2Very high96Very high121 Ų12194.2 Ų94.263%0.63447%0.471SS*.Hα-helixtrans-61.9-41.4172.8-76.1171.2000112.5E35 A42 L43E35-L39 WeakPolarHBondContact O-CB 2.93Å; E35-L39 VanDerWaalsContact O-CG 3.26Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.47Å; L39-A42 PolarHBondContact O-N 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 2.68Å
40K97.7Very high96.2Very high136 Ų13694.2 Ų94.259%0.59147%0.471SS*.Hα-helixtrans-63.6-43.3176-81.7169.2174.7156.90111.7N36 R37 D38 L43 R44N36-K40 WeakPolarHBondContact O-CB 3.06Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.41Å; N36-K40 PolarHBondContact O-N 3.32Å; N36-K40 WeakPolarHBondContact OD1-CE 3.25Å; N36-K40 PolarHBondContact OD1-NZ 3.45Å; R37-K40 WeakPolarHBondContact O-CB 3.35Å; R37-K40 PolarHBondContact O-N 3.4Å; D38-K40 PolarHBondContact O-N 3.47Å; K40-L43 PolarHBondContact O-N 3.04Å; K40-R44 WeakPolarHBondContact O-CB 3.2Å; K40-R44 PolarHBondContact O-N 3.34Å
41E97.1Very high96.3Very high87 Ų8795.8 Ų95.841%0.40747%0.474SS..Hα-helixtrans-68.2-42.5177.9-17056.8-147.500111R37 D38 L43 R44 Q45R37-E41 PolarHBondContact O-N 2.93Å; D38-E41 PolarHBondContact O-N 3.01Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 2.83Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 2.78Å; E41-R44 VanDerWaalsContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NE 2.94Å; E41-R44 PolarHBondContact OE1-NE 3.4Å; E41-R44 VanDerWaalsContact OE1-NE 3.1Å; E41-R44 IonicContact OE1-NH2 4Å; E41-R44 IonicContact OE2-NE 3Å; E41-R44 PolarHBondContact OE2-NE 2.79Å; E41-Q45 HydrophobicContact CG-CG 4.48Å; E41-Q45 VanDerWaalsContact O-CG 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.33Å; E41-Q45 PolarHBondContact O-N 2.98Å; E41-Q45 PolarHBondContact OE1-NE2 3.46Å
42A96.4Very high96.4Very high53 Ų5396.3 Ų96.344%0.43847%0.474SS..Hα-helixtrans-57.3-46.5174.100000111.6D38 L39 R44 Q45 T46D38-A42 WeakPolarHBondContact O-CB 3.05Å; D38-A42 PolarHBondContact O-N 2.82Å; L39-A42 PolarHBondContact O-N 3.28Å; A42-R44 VanDerWaalsContact C-N 3.33Å; A42-R44 PolarHBondContact O-N 3.02Å; A42-Q45 PolarHBondContact O-N 2.87Å; A42-T46 WeakPolarHBondContact O-CG2 3.08Å; A42-T46 PolarHBondContact O-N 3.28Å; A42-T46 PolarHBondContact O-OG1 2.73Å
43L96.1Very high96.5Very high106 Ų106100 Ų10056%0.55548%0.48SS*.Hα-helixtrans-62.5-40.6175.9-172.865.1000111.7L39 K40 E41 Q45 T46 N47L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 2.68Å; K40-L43 PolarHBondContact O-N 3.04Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 2.83Å; L43-Q45 PolarHBondContact O-N 3.46Å; L43-T46 WeakPolarHBondContact CA-OG1 3.33Å; L43-T46 PolarHBondContact O-N 3.38Å; L43-T46 PolarHBondContact O-OG1 3.35Å; L43-N47 WeakPolarHBondContact O-CB 3.24Å; L43-N47 PolarHBondContact O-N 3.4Å; L43-N47 PolarHBondContact O-ND2 3.33Å; L43-N47 VanDerWaalsContact O-ND2 3.15Å
44R97.6Very high96.5Very high129 Ų129102.9 Ų102.949%0.48749%0.491SS..Hα-helixtrans-60.8-44.2175.7-157.7-165.680.576.44.7111.7K40 E41 A42 N47 L48K40-R44 WeakPolarHBondContact O-CB 3.2Å; K40-R44 PolarHBondContact O-N 3.34Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 2.78Å; E41-R44 VanDerWaalsContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NE 2.94Å; E41-R44 PolarHBondContact OE1-NE 3.4Å; E41-R44 VanDerWaalsContact OE1-NE 3.1Å; E41-R44 IonicContact OE1-NH2 4Å; E41-R44 IonicContact OE2-NE 3Å; E41-R44 PolarHBondContact OE2-NE 2.79Å; A42-R44 VanDerWaalsContact C-N 3.33Å; A42-R44 PolarHBondContact O-N 3.02Å; R44-N47 PolarHBondContact O-N 2.78Å; R44-L48 PolarHBondContact O-N 3.11Å
45Q97.1Very high96.5Very high83 Ų83103.6 Ų103.639%0.38849%0.494SS..Hα-helixtrans-64.9-45.9177.4-66.2-63.6-22.700111.4E41 A42 L43 N47 L48 T49E41-Q45 HydrophobicContact CG-CG 4.48Å; E41-Q45 VanDerWaalsContact O-CG 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.33Å; E41-Q45 PolarHBondContact O-N 2.98Å; E41-Q45 PolarHBondContact OE1-NE2 3.46Å; A42-Q45 PolarHBondContact O-N 2.87Å; L43-Q45 PolarHBondContact O-N 3.46Å; Q45-N47 VanDerWaalsContact C-N 3.32Å; Q45-N47 PolarHBondContact O-N 3.05Å; Q45-L48 PolarHBondContact O-N 2.71Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; Q45-T49 PolarHBondContact O-N 2.91Å; Q45-T49 PolarHBondContact O-OG1 3.42Å
46T95.6Very high96.6Very high78 Ų78100.9 Ų100.948%0.47949%0.493SS..Hα-helixtrans-61-40.217759.90000112.5A42 L43 T49 M50A42-T46 WeakPolarHBondContact O-CG2 3.08Å; A42-T46 PolarHBondContact O-N 3.28Å; A42-T46 PolarHBondContact O-OG1 2.73Å; L43-T46 WeakPolarHBondContact CA-OG1 3.33Å; L43-T46 PolarHBondContact O-N 3.38Å; L43-T46 PolarHBondContact O-OG1 3.35Å; T46-T49 PolarHBondContact O-N 3.28Å; T46-M50 VanDerWaalsContact O-CB 3.3Å; T46-M50 WeakPolarHBondContact O-CB 3.31Å; T46-M50 PolarHBondContact O-N 2.68Å
47N97.1Very high96.6Very high92 Ų92102 Ų10249%0.49250%0.499SS..Hα-helixtrans-64.6-40175-79.8-41.1000112.3L43 R44 Q45 M50 K51L43-N47 WeakPolarHBondContact O-CB 3.24Å; L43-N47 PolarHBondContact O-N 3.4Å; L43-N47 PolarHBondContact O-ND2 3.33Å; L43-N47 VanDerWaalsContact O-ND2 3.15Å; R44-N47 PolarHBondContact O-N 2.78Å; Q45-N47 VanDerWaalsContact C-N 3.32Å; Q45-N47 PolarHBondContact O-N 3.05Å; N47-M50 PolarHBondContact O-N 2.93Å; N47-K51 WeakPolarHBondContact O-CB 3.25Å; N47-K51 PolarHBondContact O-N 3.12Å
48L97.3Very high96.5Very high66 Ų6698.9 Ų98.935%0.34650%0.496SS..Hα-helixtrans-63.3-49.7176-175.964.2000110.9R44 Q45 M50 K51 E52R44-L48 PolarHBondContact O-N 3.11Å; Q45-L48 PolarHBondContact O-N 2.71Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; L48-M50 VanDerWaalsContact C-N 3.28Å; L48-M50 PolarHBondContact O-N 3.4Å; L48-K51 WeakPolarHBondContact O-CB 3.29Å; L48-K51 PolarHBondContact O-N 3.32Å; L48-K51 VanDerWaalsContact O-N 3.12Å; L48-E52 WeakPolarHBondContact O-CG 3.31Å; L48-E52 PolarHBondContact O-N 2.73Å
49T96Very high96.5Very high57 Ų5799.5 Ų99.535%0.3550%0.503SS..Hα-helixtrans-59.8-39.4176.5-56.60000111.9Q45 T46 E52 R53Q45-T49 PolarHBondContact O-N 2.91Å; Q45-T49 PolarHBondContact O-OG1 3.42Å; T46-T49 PolarHBondContact O-N 3.28Å; T49-E52 PolarHBondContact O-N 3.09Å; T49-R53 VanDerWaalsContact O-CG 3.3Å; T49-R53 WeakPolarHBondContact O-CG 3.38Å; T49-R53 PolarHBondContact O-N 3.48Å
50M95.3Very high96.5Very high104 Ų104100.9 Ų100.951%0.51250%0.5SS..Hα-helixtrans-65.2-41.7177-171.6177.6-68.700111.1T46 N47 L48 R53 F54T46-M50 VanDerWaalsContact O-CB 3.3Å; T46-M50 WeakPolarHBondContact O-CB 3.31Å; T46-M50 PolarHBondContact O-N 2.68Å; N47-M50 PolarHBondContact O-N 2.93Å; L48-M50 VanDerWaalsContact C-N 3.28Å; L48-M50 PolarHBondContact O-N 3.4Å; M50-R53 PolarHBondContact O-N 2.91Å; M50-F54 HydrophobicContact CG-CD2 3.75Å; M50-F54 HydrophobicContact CG-CE2 3.43Å; M50-F54 VanDerWaalsContact CG-CE2 3.43Å; M50-F54 HydrophobicContact CG-CZ 4.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.35Å; M50-F54 PolarHBondContact O-N 2.85Å; M50-F54 HydrophobicContact SD-CE2 3.84Å
51K97.3Very high96.5Very high125 Ų125101.6 Ų101.654%0.54350%0.503SS..Hα-helixtrans-61.5-46.9175.4-170.8-178178.4-167.20111.8N47 L48 R53 F54 E55N47-K51 WeakPolarHBondContact O-CB 3.25Å; N47-K51 PolarHBondContact O-N 3.12Å; L48-K51 WeakPolarHBondContact O-CB 3.29Å; L48-K51 PolarHBondContact O-N 3.32Å; L48-K51 VanDerWaalsContact O-N 3.12Å; K51-R53 VanDerWaalsContact C-N 3.3Å; K51-R53 PolarHBondContact O-N 2.8Å; K51-F54 PolarHBondContact O-N 2.96Å; K51-F54 VanDerWaalsContact O-N 3.16Å; K51-E55 WeakPolarHBondContact CE-OE1 3.49Å; K51-E55 IonicContact NZ-OE1 3.5Å; K51-E55 WeakPolarHBondContact O-CG 3.17Å; K51-E55 PolarHBondContact O-N 3.38Å
52E96.6Very high96.4Very high108 Ų108100.5 Ų100.551%0.50550%0.498SS..Hα-helixtrans-59.6-40.7176-70.9171.5168.900111.8L48 T49 E55 G56L48-E52 WeakPolarHBondContact O-CG 3.31Å; L48-E52 PolarHBondContact O-N 2.73Å; T49-E52 PolarHBondContact O-N 3.09Å; E52-E55 PolarHBondContact O-N 2.98Å; E52-G56 PolarHBondContact O-N 3.38Å
53R95.5Very high96.4Very high186 Ų186103.6 Ų103.670%0.70250%0.502SS*.Hα-helixtrans-64.8-41.5175-73.8177.7-177.9-169.61.9112.3T49 M50 K51 G56 L57T49-R53 VanDerWaalsContact O-CG 3.3Å; T49-R53 WeakPolarHBondContact O-CG 3.38Å; T49-R53 PolarHBondContact O-N 3.48Å; M50-R53 PolarHBondContact O-N 2.91Å; K51-R53 VanDerWaalsContact C-N 3.3Å; K51-R53 PolarHBondContact O-N 2.8Å; R53-G56 PolarHBondContact O-N 2.79Å; R53-L57 WeakPolarHBondContact O-CB 3.48Å; R53-L57 PolarHBondContact O-N 2.99Å
54F96.1Very high96.4Very high127 Ų127102.2 Ų102.256%0.55749%0.492SS*.Hα-helixtrans-64.7-42.6175.8-81.6-61.1000111.8M50 K51 L57 T58M50-F54 HydrophobicContact CG-CD2 3.75Å; M50-F54 HydrophobicContact CG-CE2 3.43Å; M50-F54 VanDerWaalsContact CG-CE2 3.43Å; M50-F54 HydrophobicContact CG-CZ 4.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.35Å; M50-F54 PolarHBondContact O-N 2.85Å; M50-F54 HydrophobicContact SD-CE2 3.84Å; K51-F54 PolarHBondContact O-N 2.96Å; K51-F54 VanDerWaalsContact O-N 3.16Å; F54-L57 PolarHBondContact O-N 3.45Å; F54-T58 WeakPolarHBondContact O-CG2 3.29Å; F54-T58 PolarHBondContact O-N 3.49Å; F54-T58 PolarHBondContact O-OG1 3.42Å
55E97Very high96.4Very high99 Ų99102.9 Ų102.946%0.46350%0.495SS..Hα-helixtrans-63.1-41.1174.5-71.7173.9-175.900111.6K51 E52 L57 T58 V59K51-E55 WeakPolarHBondContact CE-OE1 3.49Å; K51-E55 IonicContact NZ-OE1 3.5Å; K51-E55 WeakPolarHBondContact O-CG 3.17Å; K51-E55 PolarHBondContact O-N 3.38Å; E52-E55 PolarHBondContact O-N 2.98Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.8Å; E55-T58 WeakPolarHBondContact CA-OG1 3.31Å; E55-T58 PolarHBondContact O-N 2.97Å; E55-T58 PolarHBondContact O-OG1 3.36Å; E55-V59 WeakPolarHBondContact O-CG2 3.43Å; E55-V59 PolarHBondContact O-N 3.44Å
56G96.7Very high96.5Very high43 Ų43104.1 Ų104.144%0.44350%0.501SS..Hα-helixtrans-61-42.1172.700000112.6E52 R53 W60E52-G56 PolarHBondContact O-N 3.38Å; R53-G56 PolarHBondContact O-N 2.79Å; G56-W60 WeakPolarHBondContact O-CB 3.45Å; G56-W60 PolarHBondContact O-N 2.84Å
57L95.8Very high96.5Very high100 Ų100104.4 Ų104.452%0.52450%0.496SS..Hα-helixtrans-68.3-38.2179-172.965.2000112.3R53 F54 E55 W60 K61R53-L57 WeakPolarHBondContact O-CB 3.48Å; R53-L57 PolarHBondContact O-N 2.99Å; F54-L57 PolarHBondContact O-N 3.45Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.8Å; L57-W60 HydrophobicContact CD1-CE3 4.27Å; L57-W60 PolarHBondContact O-N 2.9Å; L57-K61 VanDerWaalsContact O-CB 3.29Å; L57-K61 WeakPolarHBondContact O-CB 3.33Å; L57-K61 PolarHBondContact O-N 3.42Å
58T94.8Very high96.4Very high87 Ų87106.6 Ų106.653%0.53450%0.502SS..Hα-helixtrans-67.3-42.7176.953.50000111.4F54 E55 K61 E62F54-T58 WeakPolarHBondContact O-CG2 3.29Å; F54-T58 PolarHBondContact O-N 3.49Å; F54-T58 PolarHBondContact O-OG1 3.42Å; E55-T58 WeakPolarHBondContact CA-OG1 3.31Å; E55-T58 PolarHBondContact O-N 2.97Å; E55-T58 PolarHBondContact O-OG1 3.36Å; T58-K61 PolarHBondContact O-N 3.35Å; T58-E62 WeakPolarHBondContact O-CB 3.27Å; T58-E62 PolarHBondContact O-N 3.36Å
59V97.1Very high96.4Very high102 Ų102106.7 Ų106.762%0.61850%0.502SS*.Hα-helixtrans-62.5-43.4173.8172.60000111.2E55 E62 K63E55-V59 WeakPolarHBondContact O-CG2 3.43Å; E55-V59 PolarHBondContact O-N 3.44Å; V59-E62 WeakPolarHBondContact O-CB 3.22Å; V59-E62 PolarHBondContact O-N 2.96Å; V59-K63 PolarHBondContact O-N 3.35Å
60W97.1Very high96.5Very high151 Ų151109.8 Ų109.857%0.57251%0.511SS*.Hα-helixtrans-62.7-45.3177.1-179.584.5000111.9G56 L57 E62 K63 Q64G56-W60 WeakPolarHBondContact O-CB 3.45Å; G56-W60 PolarHBondContact O-N 2.84Å; L57-W60 HydrophobicContact CD1-CE3 4.27Å; L57-W60 PolarHBondContact O-N 2.9Å; W60-E62 VanDerWaalsContact C-N 3.28Å; W60-E62 PolarHBondContact O-N 3.49Å; W60-K63 PolarHBondContact O-N 2.93Å; W60-Q64 HydrophobicContact CD2-CG 3.97Å; W60-Q64 HydrophobicContact CE3-CG 4.16Å; W60-Q64 HydrophobicContact CH2-CG 3.84Å; W60-Q64 HydrophobicContact CZ2-CG 3.61Å; W60-Q64 HydrophobicContact CZ3-CG 4.11Å; W60-Q64 WeakPolarHBondContact O-CG 3.49Å; W60-Q64 PolarHBondContact O-N 2.84Å
61K95.9Very high96.5Very high151 Ų151110 Ų11066%0.65751%0.514SS*.Hα-helixtrans-60.3-39.9176.2-174.4178.6-179.3179.70111.6L57 T58 Q64 R65L57-K61 VanDerWaalsContact O-CB 3.29Å; L57-K61 WeakPolarHBondContact O-CB 3.33Å; L57-K61 PolarHBondContact O-N 3.42Å; T58-K61 PolarHBondContact O-N 3.35Å; K61-Q64 PolarHBondContact O-N 3.29Å; K61-R65 PolarHBondContact O-N 3.31Å
62E96.2Very high96.5Very high63 Ų63109 Ų10929%0.29451%0.511SS..Hα-helixtrans-63.8-44.9175.617953.8-153.100111.9T58 V59 W60 Q64 R65 Q66T58-E62 WeakPolarHBondContact O-CB 3.27Å; T58-E62 PolarHBondContact O-N 3.36Å; V59-E62 WeakPolarHBondContact O-CB 3.22Å; V59-E62 PolarHBondContact O-N 2.96Å; W60-E62 VanDerWaalsContact C-N 3.28Å; W60-E62 PolarHBondContact O-N 3.49Å; E62-Q64 PolarHBondContact O-N 2.83Å; E62-R65 WeakPolarHBondContact O-CB 3.26Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-R65 IonicContact OE1-CZ 2.8Å; E62-R65 IonicContact OE1-NE 3.99Å; E62-R65 IonicContact OE1-NH2 2.96Å; E62-R65 PolarHBondContact OE1-NH2 3.43Å; E62-R65 IonicContact OE2-CZ 3.78Å; E62-R65 IonicContact OE2-NE 3.1Å; E62-R65 PolarHBondContact OE2-NE 3.36Å; E62-R65 IonicContact OE2-NH2 3.32Å; E62-R65 PolarHBondContact OE2-NH2 2.94Å; E62-Q66 WeakPolarHBondContact O-CG 3.41Å; E62-Q66 PolarHBondContact O-N 3.4Å; E62-Q66 PolarHBondContact OE1-NE2 3.42Å
63K96.6Very high96.5Very high119 Ų119110.4 Ų110.452%0.51752%0.516SS..Hα-helixtrans-61.6-43.1175.8-172.8176.9178.4-177.30111.9V59 W60 R65 Q66 E67V59-K63 PolarHBondContact O-N 3.35Å; W60-K63 PolarHBondContact O-N 2.93Å; K63-R65 VanDerWaalsContact C-N 3.3Å; K63-R65 PolarHBondContact O-N 2.87Å; K63-Q66 PolarHBondContact O-N 3.25Å; K63-E67 VanDerWaalsContact CE-OE1 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.32Å; K63-E67 WeakPolarHBondContact O-CG 3.29Å; K63-E67 PolarHBondContact O-N 2.92Å
64Q96.6Very high96.6Very high77 Ų77108.8 Ų108.836%0.3651%0.509SS..Hα-helixtrans-61.4-38.5175.7-73.4-57.3-66.100112.4W60 K61 E62 E67 K68W60-Q64 HydrophobicContact CD2-CG 3.97Å; W60-Q64 HydrophobicContact CE3-CG 4.16Å; W60-Q64 HydrophobicContact CH2-CG 3.84Å; W60-Q64 HydrophobicContact CZ2-CG 3.61Å; W60-Q64 HydrophobicContact CZ3-CG 4.11Å; W60-Q64 WeakPolarHBondContact O-CG 3.49Å; W60-Q64 PolarHBondContact O-N 2.84Å; K61-Q64 PolarHBondContact O-N 3.29Å; E62-Q64 PolarHBondContact O-N 2.83Å; Q64-E67 PolarHBondContact NE2-OE2 2.96Å; Q64-K68 WeakPolarHBondContact O-CB 3.17Å; Q64-K68 PolarHBondContact O-N 3.36Å
65R97.7Very high96.5Very high143 Ų143107.4 Ų107.454%0.5451%0.507SS..Hα-helixtrans-62.1-47.9173.1-178.8177.369.3140.54.7111.5K61 E62 K63 E67 K68 D69K61-R65 PolarHBondContact O-N 3.31Å; E62-R65 WeakPolarHBondContact O-CB 3.26Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-R65 IonicContact OE1-CZ 2.8Å; E62-R65 IonicContact OE1-NE 3.99Å; E62-R65 IonicContact OE1-NH2 2.96Å; E62-R65 PolarHBondContact OE1-NH2 3.43Å; E62-R65 IonicContact OE2-CZ 3.78Å; E62-R65 IonicContact OE2-NE 3.1Å; E62-R65 PolarHBondContact OE2-NE 3.36Å; E62-R65 IonicContact OE2-NH2 3.32Å; E62-R65 PolarHBondContact OE2-NH2 2.94Å; K63-R65 VanDerWaalsContact C-N 3.3Å; K63-R65 PolarHBondContact O-N 2.87Å; R65-E67 PolarHBondContact O-N 3.36Å; R65-K68 WeakPolarHBondContact O-CB 3.5Å; R65-K68 PolarHBondContact O-N 3.37Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.38Å
66Q97.3Very high96.5Very high109 Ų109106 Ų10651%0.50950%0.501SS..Hα-helixtrans-62.3-41.1179.3-68.71739.200112.6E62 K63 D69 F70E62-Q66 WeakPolarHBondContact O-CG 3.41Å; E62-Q66 PolarHBondContact O-N 3.4Å; E62-Q66 PolarHBondContact OE1-NE2 3.42Å; K63-Q66 PolarHBondContact O-N 3.25Å; Q66-D69 PolarHBondContact O-N 3.48Å; Q66-F70 WeakPolarHBondContact O-CB 3.32Å; Q66-F70 PolarHBondContact O-N 2.97Å
67E96.1Very high96.5Very high83 Ų83109.3 Ų109.339%0.38851%0.505SS..Hα-helixtrans-63.2-43.1175.5-75.2173.4-175.600111.6K63 Q64 R65 F70 L71K63-E67 VanDerWaalsContact CE-OE1 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.32Å; K63-E67 WeakPolarHBondContact O-CG 3.29Å; K63-E67 PolarHBondContact O-N 2.92Å; Q64-E67 PolarHBondContact NE2-OE2 2.96Å; R65-E67 PolarHBondContact O-N 3.36Å; E67-F70 PolarHBondContact O-N 2.97Å; E67-L71 WeakPolarHBondContact O-CG 3.48Å; E67-L71 PolarHBondContact O-N 3.38Å
68K96.2Very high96.4Very high139 Ų139106.7 Ų106.760%0.60450%0.498SS*.Hα-helixtrans-60-49.4174.5-176.3-171.1171.1-170.60111.4Q64 R65 F70 L71 E72Q64-K68 WeakPolarHBondContact O-CB 3.17Å; Q64-K68 PolarHBondContact O-N 3.36Å; R65-K68 WeakPolarHBondContact O-CB 3.5Å; R65-K68 PolarHBondContact O-N 3.37Å; K68-F70 VanDerWaalsContact C-N 3.25Å; K68-F70 PolarHBondContact O-N 3.28Å; K68-L71 PolarHBondContact O-N 2.7Å; K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 PolarHBondContact O-N 3.38Å
69D96.4Very high96.5Very high67 Ų67107.7 Ų107.736%0.35849%0.492SS..Hα-helixtrans-61.9-35.5-179.5-68.5-8.5000111.6R65 Q66 K73R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.38Å; Q66-D69 PolarHBondContact O-N 3.48Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.1Å
70F97.6Very high96.5Very high123 Ų123109.7 Ų109.754%0.53949%0.488SS..Hα-helixtrans-65.1-48.3174.4173.7-98.5000112.1Q66 E67 K68 E72 K73 R74Q66-F70 WeakPolarHBondContact O-CB 3.32Å; Q66-F70 PolarHBondContact O-N 2.97Å; E67-F70 PolarHBondContact O-N 2.97Å; K68-F70 VanDerWaalsContact C-N 3.25Å; K68-F70 PolarHBondContact O-N 3.28Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 2.86Å; F70-K73 PolarHBondContact O-N 3.41Å; F70-R74 HydrophobicContact CE1-CG 4.17Å; F70-R74 HydrophobicContact CE2-CG 4.33Å; F70-R74 HydrophobicContact CZ-CG 4.04Å; F70-R74 PolarHBondContact O-N 2.94Å
71L96.9Very high96.4Very high107 Ų107106 Ų10656%0.5648%0.484SS*.Hα-helixtrans-62.3-41177.6-69.7175.1000111.4E67 K68 R74 L75E67-L71 WeakPolarHBondContact O-CG 3.48Å; E67-L71 PolarHBondContact O-N 3.38Å; K68-L71 PolarHBondContact O-N 2.7Å; L71-R74 PolarHBondContact O-N 2.78Å; L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 WeakPolarHBondContact O-CG 3.37Å; L71-L75 PolarHBondContact O-N 3.1Å
72E96.4Very high96.3Very high105 Ų105103.7 Ų103.749%0.49148%0.478SS..Hα-helixtrans-61.9-44.1177.2-172.3164-162.500111.8K68 F70 R74 L75 E76K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 PolarHBondContact O-N 3.38Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 2.86Å; E72-R74 PolarHBondContact O-N 2.85Å; E72-L75 PolarHBondContact O-N 2.96Å; E72-E76 WeakPolarHBondContact O-CB 3.39Å; E72-E76 PolarHBondContact O-N 2.97Å
73K96.9Very high96.2Very high138 Ų138106.2 Ų106.260%0.649%0.49SS*.Hα-helixtrans-59.9-45.3173.4-75171.4-175.7174.50112.4D69 F70 L75 E76 E77D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.1Å; F70-K73 PolarHBondContact O-N 3.41Å; K73-L75 VanDerWaalsContact C-N 3.35Å; K73-L75 PolarHBondContact O-N 2.97Å; K73-E76 WeakPolarHBondContact O-CB 3.43Å; K73-E76 PolarHBondContact O-N 3.27Å; K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.96Å
74R96.4Very high96.2Very high151 Ų151104.2 Ų104.257%0.5749%0.488SS*.Hα-helixtrans-64.7-38.4177.9-70.6-148.175.3179.33.4112.7F70 L71 E72 E76 E77 A78F70-R74 HydrophobicContact CE1-CG 4.17Å; F70-R74 HydrophobicContact CE2-CG 4.33Å; F70-R74 HydrophobicContact CZ-CG 4.04Å; F70-R74 PolarHBondContact O-N 2.94Å; L71-R74 PolarHBondContact O-N 2.78Å; E72-R74 PolarHBondContact O-N 2.85Å; R74-E76 VanDerWaalsContact C-N 3.31Å; R74-E77 PolarHBondContact O-N 3.4Å; R74-A78 WeakPolarHBondContact O-CB 3.44Å; R74-A78 PolarHBondContact O-N 2.86Å
75L95.5Very high95.9Very high98 Ų98104.5 Ų104.551%0.51349%0.491SS..Hα-helixtrans-65.4-38.8174.8-74.3173.8000111.3L71 E72 K73 A78 R79L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 WeakPolarHBondContact O-CG 3.37Å; L71-L75 PolarHBondContact O-N 3.1Å; E72-L75 PolarHBondContact O-N 2.96Å; K73-L75 VanDerWaalsContact C-N 3.35Å; K73-L75 PolarHBondContact O-N 2.97Å; L75-A78 PolarHBondContact O-N 3.46Å; L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 2.82Å
76E96.7Very high95.6Very high69 Ų69100.5 Ų100.532%0.32248%0.483SS..Hα-helixtrans-65.6-41.3176.3-164.358.3-153.300112.1E72 K73 R74 R79 R80E72-E76 WeakPolarHBondContact O-CB 3.39Å; E72-E76 PolarHBondContact O-N 2.97Å; K73-E76 WeakPolarHBondContact O-CB 3.43Å; K73-E76 PolarHBondContact O-N 3.27Å; R74-E76 VanDerWaalsContact C-N 3.31Å; E76-R79 PolarHBondContact O-N 3.34Å; E76-R79 IonicContact OE2-CZ 2.88Å; E76-R79 IonicContact OE2-NE 3.16Å; E76-R79 PolarHBondContact OE2-NE 3.49Å; E76-R79 IonicContact OE2-NH2 3.08Å; E76-R79 PolarHBondContact OE2-NH2 3.34Å; E76-R80 WeakPolarHBondContact O-CG 3.27Å; E76-R80 PolarHBondContact O-N 3.48Å
77E96.3Very high95.3Very high113 Ų11398.7 Ų98.753%0.52848%0.479SS..Hα-helixtrans-61.6-44.5172.1-71.9168.5-175.900112.1K73 R74 R80 C81K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.96Å; R74-E77 PolarHBondContact O-N 3.4Å; E77-R80 PolarHBondContact O-N 2.85Å; E77-C81 WeakPolarHBondContact O-CB 3.4Å; E77-C81 PolarHBondContact O-N 2.88Å
78A94.7Very high95.1Very high46 Ų4699.3 Ų99.338%0.3848%0.482SS..Hα-helixtrans-62.8-42.2176.300000111.5R74 L75 C81 I82R74-A78 WeakPolarHBondContact O-CB 3.44Å; R74-A78 PolarHBondContact O-N 2.86Å; L75-A78 PolarHBondContact O-N 3.46Å; A78-C81 WeakPolarHBondContact O-CB 3.43Å; A78-C81 PolarHBondContact O-N 3.37Å; A78-I82 VanDerWaalsContact O-CG1 3.29Å; A78-I82 WeakPolarHBondContact O-CG1 3.37Å; A78-I82 PolarHBondContact O-N 2.87Å
79R95.8Very high94.3Very high108 Ų10897.5 Ų97.541%0.40848%0.479SS..Hα-helixtrans-58.5-49.6173.7-81.4-171.7-76.9-94.42.9111.5L75 E76 C81 I82 E83L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 2.82Å; E76-R79 PolarHBondContact O-N 3.34Å; E76-R79 IonicContact OE2-CZ 2.88Å; E76-R79 IonicContact OE2-NE 3.16Å; E76-R79 PolarHBondContact OE2-NE 3.49Å; E76-R79 IonicContact OE2-NH2 3.08Å; E76-R79 PolarHBondContact OE2-NH2 3.34Å; R79-C81 VanDerWaalsContact C-N 3.3Å; R79-C81 PolarHBondContact O-N 2.98Å; R79-I82 PolarHBondContact O-N 3.42Å; R79-E83 WeakPolarHBondContact O-CB 3.38Å; R79-E83 WeakPolarHBondContact O-CG 3.42Å; R79-E83 PolarHBondContact O-N 2.79Å
80R96.8Very high93.9Very high144 Ų14498.9 Ų98.954%0.54348%0.483SS..Hα-helixtrans-59.9-39176.2-71177.2-165.4151.94.6112.8E76 E77 E83 T84E76-R80 WeakPolarHBondContact O-CG 3.27Å; E76-R80 PolarHBondContact O-N 3.48Å; E77-R80 PolarHBondContact O-N 2.85Å; R80-E83 PolarHBondContact O-N 2.87Å; R80-T84 WeakPolarHBondContact O-CB 3.5Å; R80-T84 PolarHBondContact O-N 2.89Å; R80-T84 PolarHBondContact O-OG1 3.45Å
81C95Very high93.3Very high72 Ų7298.8 Ų98.849%0.48649%0.485SS..Hα-helixtrans-64.4-45.5175.9-175.40000111.3E77 A78 R79 T84 L85E77-C81 WeakPolarHBondContact O-CB 3.4Å; E77-C81 PolarHBondContact O-N 2.88Å; A78-C81 WeakPolarHBondContact O-CB 3.43Å; A78-C81 PolarHBondContact O-N 3.37Å; R79-C81 VanDerWaalsContact C-N 3.3Å; R79-C81 PolarHBondContact O-N 2.98Å; C81-T84 PolarHBondContact O-N 3.34Å; C81-L85 WeakPolarHBondContact O-CB 3.4Å; C81-L85 WeakPolarHBondContact O-CG 3.33Å; C81-L85 PolarHBondContact O-N 2.86Å
82I94.3Very high92.3Very high104 Ų10499.1 Ų99.153%0.53349%0.486SS..Hα-helixtrans-62.7-44.8176-69.5166.5000110.8A78 R79 T84 L85 T86A78-I82 VanDerWaalsContact O-CG1 3.29Å; A78-I82 WeakPolarHBondContact O-CG1 3.37Å; A78-I82 PolarHBondContact O-N 2.87Å; R79-I82 PolarHBondContact O-N 3.42Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.87Å; I82-L85 PolarHBondContact O-N 3.5Å; I82-T86 VanDerWaalsContact O-CB 3.26Å; I82-T86 WeakPolarHBondContact O-CB 3.48Å; I82-T86 PolarHBondContact O-N 3.06Å; I82-T86 PolarHBondContact O-OG1 3.23Å
83E94.9Very high91Very high116 Ų11698.6 Ų98.654%0.54249%0.494SS..Hα-helixtrans-59.3-45.5176.1-75.6171-172.400111R79 R80 T86 V87R79-E83 WeakPolarHBondContact O-CB 3.38Å; R79-E83 WeakPolarHBondContact O-CG 3.42Å; R79-E83 PolarHBondContact O-N 2.79Å; R80-E83 PolarHBondContact O-N 2.87Å; E83-T86 PolarHBondContact O-N 3.49Å; E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 3.24Å
84T95.1Very high89.9Confident76 Ų7699.6 Ų99.647%0.46650%0.498SS..Hα-helixtrans-60.9-47.9176.4-55.70000111.3R80 C81 I82 T86 V87 Q88R80-T84 WeakPolarHBondContact O-CB 3.5Å; R80-T84 PolarHBondContact O-N 2.89Å; R80-T84 PolarHBondContact O-OG1 3.45Å; C81-T84 PolarHBondContact O-N 3.34Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.87Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 2.96Å; T84-V87 PolarHBondContact O-N 3.39Å; T84-Q88 WeakPolarHBondContact O-CB 3.41Å; T84-Q88 WeakPolarHBondContact O-CG 3.42Å; T84-Q88 PolarHBondContact O-N 3.46Å
85L91.9Very high87.9Confident83 Ų83101.8 Ų101.844%0.43551%0.507SS..Hα-helixtrans-64-34.5176.6-74.5172.2000112.1C81 I82 Q88 N89C81-L85 WeakPolarHBondContact O-CB 3.4Å; C81-L85 WeakPolarHBondContact O-CG 3.33Å; C81-L85 PolarHBondContact O-N 2.86Å; I82-L85 PolarHBondContact O-N 3.5Å; L85-Q88 PolarHBondContact O-N 3.42Å; L85-N89 VanDerWaalsContact O-CB 3.24Å; L85-N89 WeakPolarHBondContact O-CB 3.44Å; L85-N89 VanDerWaalsContact O-CG 3.23Å; L85-N89 PolarHBondContact O-N 3.31Å; L85-N89 PolarHBondContact O-ND2 3.45Å
86T90.6Very high85.8Confident59 Ų59101.4 Ų101.436%0.36251%0.51SS..Hα-helixtrans-69.8-42.1177.5-56.40000110.4I82 E83 T84 N89 Q90I82-T86 VanDerWaalsContact O-CB 3.26Å; I82-T86 WeakPolarHBondContact O-CB 3.48Å; I82-T86 PolarHBondContact O-N 3.06Å; I82-T86 PolarHBondContact O-OG1 3.23Å; E83-T86 PolarHBondContact O-N 3.49Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 2.96Å; T86-N89 PolarHBondContact O-N 2.87Å; T86-Q90 WeakPolarHBondContact O-CB 3.4Å; T86-Q90 WeakPolarHBondContact O-CG 3.44Å; T86-Q90 PolarHBondContact O-N 3.45Å
87V91.8Very high83.5Confident72 Ų72105.4 Ų105.444%0.43653%0.529SS..Hα-helixtrans-62.9-46.2172.8172.20000110.3E83 T84 N89 Q90 E91E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 3.24Å; T84-V87 PolarHBondContact O-N 3.39Å; V87-N89 PolarHBondContact O-N 3.24Å; V87-Q90 CarbonylContact O-C 3.58Å; V87-Q90 WeakPolarHBondContact O-CB 3.34Å; V87-Q90 PolarHBondContact O-N 3.46Å; V87-E91 HydrophobicContact CG1-CG 4.37Å; V87-E91 WeakPolarHBondContact O-CB 3.44Å; V87-E91 WeakPolarHBondContact O-CG 3.28Å; V87-E91 PolarHBondContact O-N 3.06Å
88Q90.4Very high80.9Confident95 Ų95105.3 Ų105.344%0.44455%0.547SS..Hα-helixtrans-61.2-42.7175.8-73.9177.5-11.400112.3T84 L85 Q90 E91 L92T84-Q88 WeakPolarHBondContact O-CB 3.41Å; T84-Q88 WeakPolarHBondContact O-CG 3.42Å; T84-Q88 PolarHBondContact O-N 3.46Å; L85-Q88 PolarHBondContact O-N 3.42Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-E91 PolarHBondContact O-N 2.91Å; Q88-L92 WeakPolarHBondContact O-CB 3.44Å; Q88-L92 VanDerWaalsContact O-CG 3.23Å; Q88-L92 WeakPolarHBondContact O-CG 3.28Å; Q88-L92 PolarHBondContact O-N 3.49Å
89N80.4Confident78.6Confident102 Ų102105.5 Ų105.555%0.54555%0.554SS.*Hα-helixtrans-65.1-38.6174.8-79.7-29.1000111.7L85 T86 V87 S93L85-N89 VanDerWaalsContact O-CB 3.24Å; L85-N89 WeakPolarHBondContact O-CB 3.44Å; L85-N89 VanDerWaalsContact O-CG 3.23Å; L85-N89 PolarHBondContact O-N 3.31Å; L85-N89 PolarHBondContact O-ND2 3.45Å; T86-N89 PolarHBondContact O-N 2.87Å; V87-N89 PolarHBondContact O-N 3.24Å; N89-S93 WeakPolarHBondContact O-CB 3.5Å; N89-S93 PolarHBondContact O-N 2.85Å
90Q87.8Confident76.3Confident95 Ų95101.9 Ų101.944%0.44455%0.551SS.*Hα-helixtrans-67.3-37.1173.4-75.2177.217.800111.8T86 V87 Q88 S93 K94T86-Q90 WeakPolarHBondContact O-CB 3.4Å; T86-Q90 WeakPolarHBondContact O-CG 3.44Å; T86-Q90 PolarHBondContact O-N 3.45Å; V87-Q90 CarbonylContact O-C 3.58Å; V87-Q90 WeakPolarHBondContact O-CB 3.34Å; V87-Q90 PolarHBondContact O-N 3.46Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-S93 PolarHBondContact O-N 3.29Å; Q90-K94 WeakPolarHBondContact O-CA 3.27Å; Q90-K94 WeakPolarHBondContact O-CB 3.34Å; Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 3.39Å
91E85.1Confident73.9Confident122 Ų12297 Ų9757%0.5754%0.544SS*.Hα-helixtrans-67.4-43.3174.6-75.7174.7174.300111.3V87 Q88 S93 K94 R95V87-E91 HydrophobicContact CG1-CG 4.37Å; V87-E91 WeakPolarHBondContact O-CB 3.44Å; V87-E91 WeakPolarHBondContact O-CG 3.28Å; V87-E91 PolarHBondContact O-N 3.06Å; Q88-E91 PolarHBondContact O-N 2.91Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.94Å; E91-K94 CarbonylContact O-C 3.6Å; E91-K94 PolarHBondContact O-N 2.88Å; E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 PolarHBondContact O-N 3.18Å
92L74.8Confident71.9Confident114 Ų11496.9 Ų96.960%0.59755%0.549SS*.Hα-helixtrans-63.7-37.4173.1-70.7170.8000111.7Q88 R95Q88-L92 WeakPolarHBondContact O-CB 3.44Å; Q88-L92 VanDerWaalsContact O-CG 3.23Å; Q88-L92 WeakPolarHBondContact O-CG 3.28Å; Q88-L92 PolarHBondContact O-N 3.49Å; L92-R95 WeakPolarHBondContact O-CB 3.44Å; L92-R95 PolarHBondContact O-N 2.89Å
93S70.1Confident69.9Low93 Ų9398.1 Ų98.165%0.6555%0.552SS**Hα-helixtrans-78.7-32.6178.1-174.80000113.5N89 Q90 E91 R95N89-S93 WeakPolarHBondContact O-CB 3.5Å; N89-S93 PolarHBondContact O-N 2.85Å; Q90-S93 PolarHBondContact O-N 3.29Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.94Å; S93-R95 PolarHBondContact O-N 3.47Å
94K72.6Confident68Low159 Ų15995.8 Ų95.869%0.69155%0.549SS*.SBendtrans-80.11.1171.4-72.8172.6-176.2171.20112.5Q90 E91 P96Q90-K94 WeakPolarHBondContact O-CA 3.27Å; Q90-K94 WeakPolarHBondContact O-CB 3.34Å; Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 3.39Å; E91-K94 CarbonylContact O-C 3.6Å; E91-K94 PolarHBondContact O-N 2.88Å; K94-P96 WeakPolarHBondContact O-CD 3.43Å
95R55.5Low66.5Low198 Ų19895.1 Ų95.175%0.74755%0.551SS**  trans-95.455.4162.4-158.1178.6-178.8-161.9-1109.9E91 L92 S93E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 PolarHBondContact O-N 3.18Å; L92-R95 WeakPolarHBondContact O-CB 3.44Å; L92-R95 PolarHBondContact O-N 2.89Å; S93-R95 PolarHBondContact O-N 3.47Å
96P51.5Low65.4Low90 Ų9096.8 Ų96.858%0.58456%0.557SS**  trans-73.5134.3166.935.4-30.6000107.6K94K94-P96 WeakPolarHBondContact O-CD 3.43Å
97E48.7Very low64.5Low152 Ų15297 Ų9771%0.7156%0.557SS**SBendtrans66.149.7146.9-55-163.8175.500118.8
98A42.2Very low63.6Low111 Ų11197.6 Ų97.692%0.91756%0.559SS**SBendtrans-98.9-0.2147.400000112.6
99G45.2Very low63.1Low51 Ų5195.8 Ų95.853%0.52656%0.56SS.*SBendtrans-156.52.3175.900000115.9
100G46.9Very low63.2Low32 Ų3295.2 Ų95.233%0.3356%0.556SS.*Hα-helixtrans-92.9-25.8-174.100000115.6A102 Q103 S104G100-A102 PolarHBondContact O-N 2.81Å; G100-Q103 PolarHBondContact O-N 3.31Å; G100-S104 PolarHBondContact O-N 2.84Å
101G48.3Very low63Low40 Ų4098.5 Ų98.541%0.41256%0.564SS.*Hα-helixtrans-67.8-34.8-179.800000113.3A105G101-A105 WeakPolarHBondContact O-CB 3.33Å; G101-A105 PolarHBondContact O-N 3.19Å
102A51.1Low63Low71 Ų7194.7 Ų94.759%0.58755%0.554SS**Hα-helixtrans-69.8-41.4175.200000111.6G100 E106G100-A102 PolarHBondContact O-N 2.81Å; A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 PolarHBondContact O-N 3.02Å
103Q52.1Low63.6Low129 Ų12993.9 Ų93.960%0.60355%0.547SS*.Hα-helixtrans-75-34.5-178.1-67.9-176.9-4.200112.9G100 V107G100-Q103 PolarHBondContact O-N 3.31Å; Q103-V107 WeakPolarHBondContact O-CB 3.19Å; Q103-V107 WeakPolarHBondContact O-CG2 3.44Å; Q103-V107 PolarHBondContact O-N 2.69Å
104S56.5Low64.4Low68 Ų6893.4 Ų93.448%0.47654%0.54SS..Hα-helixtrans-67.7-43.5173.7-1650000111.2G100 E106 V107 D108G100-S104 PolarHBondContact O-N 2.84Å; S104-E106 PolarHBondContact O-N 2.99Å; S104-V107 PolarHBondContact O-N 3.35Å; S104-D108 WeakPolarHBondContact O-CB 3.32Å; S104-D108 PolarHBondContact O-N 3.4Å
105A62.8Low65.2Low61 Ų6188.8 Ų88.850%0.50453%0.532SS..Hα-helixtrans-66.3-36.5176.300000112.4G101 A109G101-A105 WeakPolarHBondContact O-CB 3.33Å; G101-A105 PolarHBondContact O-N 3.19Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.17Å
106E69.4Low66.9Low119 Ų11986.2 Ų86.256%0.55652%0.522SS*.Hα-helixtrans-70.7-40.5175.5-172.8171.8-161.200111.7A102 S104 A109 L110A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 PolarHBondContact O-N 3.02Å; S104-E106 PolarHBondContact O-N 2.99Å; E106-A109 PolarHBondContact O-N 3.44Å; E106-L110 HydrophobicContact CG-CD1 4.24Å; E106-L110 VanDerWaalsContact O-CB 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 WeakPolarHBondContact O-CG 3.44Å; E106-L110 PolarHBondContact O-N 2.87Å
107V70.9Confident68.7Low62 Ų6286.6 Ų86.638%0.37652%0.518SS..Hα-helixtrans-65.5-40.5174.3167.20000111Q103 S104 L110 R111Q103-V107 WeakPolarHBondContact O-CB 3.19Å; Q103-V107 WeakPolarHBondContact O-CG2 3.44Å; Q103-V107 PolarHBondContact O-N 2.69Å; S104-V107 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 2.93Å; V107-R111 VanDerWaalsContact CG1-NH2 3.25Å; V107-R111 WeakPolarHBondContact O-CB 3.48Å; V107-R111 WeakPolarHBondContact O-CG 3.36Å; V107-R111 PolarHBondContact O-N 3.12Å
108D74.3Confident70.6Confident86 Ų8684.4 Ų84.446%0.4651%0.508SS..Hα-helixtrans-71.6-35176.5-68.4-25.9000111.9S104 R111 A112S104-D108 WeakPolarHBondContact O-CB 3.32Å; S104-D108 PolarHBondContact O-N 3.4Å; D108-R111 PolarHBondContact O-N 3.04Å; D108-R111 IonicContact OD1-NE 2.73Å; D108-A112 WeakPolarHBondContact O-CB 3.2Å; D108-A112 PolarHBondContact O-N 2.88Å
109A79.8Confident72.8Confident57 Ų5781.3 Ų81.347%0.47148%0.482SS..Hα-helixtrans-66.1-40.917200000112.4A105 E106 A112 Q113A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.17Å; E106-A109 PolarHBondContact O-N 3.44Å; A109-A112 PolarHBondContact O-N 3.48Å; A109-Q113 WeakPolarHBondContact O-CB 3.25Å; A109-Q113 PolarHBondContact O-N 3.48Å
110L81.7Confident74.9Confident89 Ų8984.2 Ų84.247%0.46648%0.482SS..Hα-helixtrans-67-40.8174.8-74.2170.2000111.2E106 V107 A112 Q113 V114E106-L110 HydrophobicContact CG-CD1 4.24Å; E106-L110 VanDerWaalsContact O-CB 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 WeakPolarHBondContact O-CG 3.44Å; E106-L110 PolarHBondContact O-N 2.87Å; V107-L110 PolarHBondContact O-N 2.93Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3Å; L110-Q113 PolarHBondContact O-N 3.26Å; L110-V114 VanDerWaalsContact O-CG2 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 2.91Å
111R83.4Confident77.1Confident164 Ų16488.7 Ų88.762%0.61949%0.493SS*.Hα-helixtrans-60.3-43.1171.8-76.5-177.7-140-93.11.2111.8V107 D108 Q113 V114 A115V107-R111 VanDerWaalsContact CG1-NH2 3.25Å; V107-R111 WeakPolarHBondContact O-CB 3.48Å; V107-R111 WeakPolarHBondContact O-CG 3.36Å; V107-R111 PolarHBondContact O-N 3.12Å; D108-R111 PolarHBondContact O-N 3.04Å; D108-R111 IonicContact OD1-NE 2.73Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 3.47Å; R111-V114 PolarHBondContact O-N 3.34Å; R111-A115 PolarHBondContact O-N 2.94Å
112A84.6Confident78.9Confident42 Ų4291.3 Ų91.335%0.34750%0.497SS..Hα-helixtrans-65.4-35.8176.400000112.2D108 A109 L110 A115 R116D108-A112 WeakPolarHBondContact O-CB 3.2Å; D108-A112 PolarHBondContact O-N 2.88Å; A109-A112 PolarHBondContact O-N 3.48Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3Å; A112-A115 PolarHBondContact O-N 2.86Å; A112-R116 WeakPolarHBondContact O-CG 3.49Å; A112-R116 PolarHBondContact O-N 3.04Å; A112-R116 VanDerWaalsContact O-N 3.14Å; A112-R116 PolarHBondContact O-NH1 3.36Å
113Q87.8Confident80.9Confident98 Ų9893.2 Ų93.246%0.45850%0.498SS..Hα-helixtrans-68.9-41.4175-170.6172.219.600112.2A109 L110 R111 A115 R116 L117A109-Q113 WeakPolarHBondContact O-CB 3.25Å; A109-Q113 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.26Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 3.47Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 3.26Å; Q113-R116 PolarHBondContact O-N 3.36Å; Q113-L117 HydrophobicContact CG-CD1 4.34Å; Q113-L117 WeakPolarHBondContact O-CG 3.42Å; Q113-L117 PolarHBondContact O-N 2.94Å
114V88Confident82.8Confident83 Ų8392.1 Ų92.150%0.50350%0.496SS..Hα-helixtrans-61.2-43.6173.7170.10000110.5L110 R111 R116 L117 Q118L110-V114 VanDerWaalsContact O-CG2 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 2.91Å; R111-V114 PolarHBondContact O-N 3.34Å; V114-R116 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.23Å; V114-L117 PolarHBondContact O-N 2.88Å; V114-Q118 WeakPolarHBondContact O-CB 3.47Å; V114-Q118 PolarHBondContact O-N 3.43Å
115A88.5Confident84.5Confident62 Ų6292.6 Ų92.651%0.51250%0.495SS..Hα-helixtrans-60.8-40.1176.900000112.8R111 A112 Q113 Q118 A119R111-A115 PolarHBondContact O-N 2.94Å; A112-A115 PolarHBondContact O-N 2.86Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 3.26Å; A115-Q118 PolarHBondContact O-N 3.35Å; A115-A119 PolarHBondContact O-N 3.39Å; A115-A119 VanDerWaalsContact O-N 3.13Å
116R90.3Very high85.7Confident144 Ų14492.4 Ų92.454%0.54349%0.494SS..Hα-helixtrans-65.3-46.4175.2-72.1-170.7-60.8-89.93.2112.4A112 Q113 V114 Q118 A119 E120A112-R116 WeakPolarHBondContact O-CG 3.49Å; A112-R116 PolarHBondContact O-N 3.04Å; A112-R116 VanDerWaalsContact O-N 3.14Å; A112-R116 PolarHBondContact O-NH1 3.36Å; Q113-R116 PolarHBondContact O-N 3.36Å; V114-R116 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.23Å; R116-Q118 VanDerWaalsContact C-N 3.26Å; R116-Q118 PolarHBondContact O-N 3.49Å; R116-A119 WeakPolarHBondContact O-CB 3.3Å; R116-A119 PolarHBondContact O-N 3.45Å; R116-A119 VanDerWaalsContact O-N 3.13Å; R116-E120 PolarHBondContact O-N 2.9Å
117L90.9Very high86.6Confident97 Ų9791 Ų9151%0.50849%0.49SS..Hα-helixtrans-64.2-33.2177.2-70.9171.2000112.2Q113 V114 A119 K121Q113-L117 HydrophobicContact CG-CD1 4.34Å; Q113-L117 WeakPolarHBondContact O-CG 3.42Å; Q113-L117 PolarHBondContact O-N 2.94Å; V114-L117 PolarHBondContact O-N 2.88Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.33Å; L117-K121 PolarHBondContact O-N 2.94Å
118Q88.2Confident87.1Confident106 Ų10692.9 Ų92.950%0.49550%0.497SS..Hα-helixtrans-65.3-39.1174.1-146.489.60.900111.5V114 A115 R116 N122V114-Q118 WeakPolarHBondContact O-CB 3.47Å; V114-Q118 PolarHBondContact O-N 3.43Å; A115-Q118 PolarHBondContact O-N 3.35Å; R116-Q118 VanDerWaalsContact C-N 3.26Å; R116-Q118 PolarHBondContact O-N 3.49Å; Q118-N122 PolarHBondContact O-N 2.89Å; Q118-N122 VanDerWaalsContact O-N 3.11Å; Q118-N122 PolarHBondContact O-ND2 3.23Å; Q118-N122 PolarHBondContact O-OD1 2.94Å
119A87.1Confident87.6Confident46 Ų4691.6 Ų91.638%0.3850%0.495SS..Hα-helixtrans-67-48.3175.700000111.5A115 R116 L117 K121 N122 D123A115-A119 PolarHBondContact O-N 3.39Å; A115-A119 VanDerWaalsContact O-N 3.13Å; R116-A119 WeakPolarHBondContact O-CB 3.3Å; R116-A119 PolarHBondContact O-N 3.45Å; R116-A119 VanDerWaalsContact O-N 3.13Å; L117-A119 VanDerWaalsContact C-N 3.35Å; A119-K121 VanDerWaalsContact C-N 3.3Å; A119-K121 PolarHBondContact O-N 3.17Å; A119-N122 WeakPolarHBondContact O-CB 3.25Å; A119-N122 PolarHBondContact O-N 3.41Å; A119-D123 PolarHBondContact O-N 3.17Å
120E91.1Very high87.8Confident112 Ų11293.3 Ų93.352%0.52349%0.493SS..Hα-helixtrans-59.7-39.8176.1-72.1176.4-174.800112.2R116 N122 D123 L124R116-E120 PolarHBondContact O-N 2.9Å; E120-N122 VanDerWaalsContact C-N 3.33Å; E120-N122 PolarHBondContact O-N 3.47Å; E120-D123 PolarHBondContact O-N 3.09Å; E120-L124 WeakPolarHBondContact O-CB 3.4Å; E120-L124 VanDerWaalsContact O-CG 3.31Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.07Å
121K91.9Very high87.7Confident126 Ų12693.6 Ų93.655%0.54850%0.495SS..Hα-helixtrans-59.3-44.5172.9177.5-174.6172.5-178.90111.4L117 A119 L124 V125L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.33Å; L117-K121 PolarHBondContact O-N 2.94Å; A119-K121 VanDerWaalsContact C-N 3.3Å; A119-K121 PolarHBondContact O-N 3.17Å; K121-L124 PolarHBondContact O-N 3.42Å; K121-V125 WeakPolarHBondContact O-CB 3.41Å; K121-V125 VanDerWaalsContact O-CG2 3.26Å; K121-V125 WeakPolarHBondContact O-CG2 3.34Å; K121-V125 PolarHBondContact O-N 3.39Å
122N87.3Confident87.5Confident95 Ų9591.4 Ų91.451%0.50849%0.492SS..Hα-helixtrans-66.5-39.4180-68.2-19.9000111.4Q118 A119 E120 V125 A126Q118-N122 PolarHBondContact O-N 2.89Å; Q118-N122 VanDerWaalsContact O-N 3.11Å; Q118-N122 PolarHBondContact O-ND2 3.23Å; Q118-N122 PolarHBondContact O-OD1 2.94Å; A119-N122 WeakPolarHBondContact O-CB 3.25Å; A119-N122 PolarHBondContact O-N 3.41Å; E120-N122 VanDerWaalsContact C-N 3.33Å; E120-N122 PolarHBondContact O-N 3.47Å; N122-V125 PolarHBondContact O-N 2.76Å; N122-A126 PolarHBondContact O-N 3.42Å
123D92.2Very high86.9Confident111 Ų11193.9 Ų93.959%0.59450%0.499SS*.Hα-helixtrans-64.6-41.9175.3-66.7-19.7000111.5A119 E120 V125 A126 L127A119-D123 PolarHBondContact O-N 3.17Å; E120-D123 PolarHBondContact O-N 3.09Å; D123-V125 VanDerWaalsContact C-N 3.34Å; D123-V125 PolarHBondContact O-N 2.93Å; D123-A126 PolarHBondContact O-N 2.93Å; D123-L127 WeakPolarHBondContact O-CB 3.46Å; D123-L127 PolarHBondContact O-N 3.44Å
124L91.7Very high86.4Confident107 Ų10794.8 Ų94.856%0.5650%0.501SS*.Hα-helixtrans-66.1-35.3174.8-73.3173.8000112.5E120 K121 N128E120-L124 WeakPolarHBondContact O-CB 3.4Å; E120-L124 VanDerWaalsContact O-CG 3.31Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.07Å; K121-L124 PolarHBondContact O-N 3.42Å; L124-N128 WeakPolarHBondContact O-CB 3.31Å; L124-N128 PolarHBondContact O-N 2.91Å
125V92.7Very high85.5Confident78 Ų7894 Ų9447%0.47350%0.503SS..Hα-helixtrans-67.4-40.2173.5167.40000110.8K121 N122 D123 N128 S129K121-V125 WeakPolarHBondContact O-CB 3.41Å; K121-V125 VanDerWaalsContact O-CG2 3.26Å; K121-V125 WeakPolarHBondContact O-CG2 3.34Å; K121-V125 PolarHBondContact O-N 3.39Å; N122-V125 PolarHBondContact O-N 2.76Å; D123-V125 VanDerWaalsContact C-N 3.34Å; D123-V125 PolarHBondContact O-N 2.93Å; V125-N128 PolarHBondContact O-N 2.93Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3.25Å; V125-S129 PolarHBondContact O-OG 3.24Å
126A88.8Confident84Confident57 Ų5796.2 Ų96.247%0.47150%0.503SS..Hα-helixtrans-63.8-44.6174.500000111.5N122 D123 S129 E130N122-A126 PolarHBondContact O-N 3.42Å; D123-A126 PolarHBondContact O-N 2.93Å; A126-S129 WeakPolarHBondContact O-CB 3.28Å; A126-S129 PolarHBondContact O-N 2.94Å; A126-E130 PolarHBondContact O-N 3.32Å
127L87.8Confident82.5Confident90 Ų9096.2 Ų96.247%0.47151%0.51SS..Hα-helixtrans-64.6-40.7175.9-171.369.7000111.9D123 S129 E130 L131D123-L127 WeakPolarHBondContact O-CB 3.46Å; D123-L127 PolarHBondContact O-N 3.44Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-E130 PolarHBondContact O-N 3.36Å; L127-L131 HydrophobicContact CG-CD1 4.26Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 2.9Å
128N80.5Confident80.6Confident100 Ų10094.8 Ų94.854%0.53552%0.518SS..Hα-helixtrans-62-42.3172.8-107.1-42.7000111.2L124 V125 E130 L131 Q132L124-N128 WeakPolarHBondContact O-CB 3.31Å; L124-N128 PolarHBondContact O-N 2.91Å; V125-N128 PolarHBondContact O-N 2.93Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact O-N 3.37Å; N128-L131 PolarHBondContact O-N 3.47Å; N128-Q132 WeakPolarHBondContact O-CB 3.5Å; N128-Q132 PolarHBondContact O-N 2.93Å
129S85.7Confident78.9Confident59 Ų5992.7 Ų92.741%0.41352%0.519SS..Hα-helixtrans-62.6-39.1176.6-54.90000111.2V125 A126 L127 Q132 L133V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3.25Å; V125-S129 PolarHBondContact O-OG 3.24Å; A126-S129 WeakPolarHBondContact O-CB 3.28Å; A126-S129 PolarHBondContact O-N 2.94Å; L127-S129 VanDerWaalsContact C-N 3.32Å; S129-Q132 PolarHBondContact O-N 2.99Å; S129-L133 WeakPolarHBondContact O-CB 3.45Å; S129-L133 VanDerWaalsContact O-CG 3.25Å; S129-L133 WeakPolarHBondContact O-CG 3.42Å; S129-L133 PolarHBondContact O-N 3.25Å
130E83Confident77.1Confident93 Ų9399.1 Ų99.144%0.43554%0.541SS..Hα-helixtrans-69.2-40.2175.2-163.5-167.814900112.6A126 L127 N128 Q132 L133 K134A126-E130 PolarHBondContact O-N 3.32Å; L127-E130 PolarHBondContact O-N 3.36Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact O-N 3.37Å; E130-Q132 VanDerWaalsContact C-N 3.31Å; E130-L133 PolarHBondContact O-N 3Å; E130-K134 WeakPolarHBondContact O-CB 3.49Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 3.41Å; E130-K134 WeakPolarHBondContact OE1-CE 3.47Å; E130-K134 IonicContact OE1-NZ 2.66Å; E130-K134 PolarHBondContact OE1-NZ 3.48Å
131L81.1Confident75Confident95 Ų95102.7 Ų102.750%0.49756%0.558SS.*Hα-helixtrans-65.7-35.8174.5-74171000111.6L127 N128 K134 A135L127-L131 HydrophobicContact CG-CD1 4.26Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 2.9Å; N128-L131 PolarHBondContact O-N 3.47Å; L131-K134 PolarHBondContact O-N 3.1Å; L131-A135 WeakPolarHBondContact O-CB 3.4Å; L131-A135 PolarHBondContact O-N 3.44Å
132Q78.2Confident73Confident118 Ų118103.8 Ų103.855%0.55157%0.569SS**Hα-helixtrans-72.6-40177.7-158.5151.2-3.700110.9N128 S129 E130 K134 A135 E136N128-Q132 WeakPolarHBondContact O-CB 3.5Å; N128-Q132 PolarHBondContact O-N 2.93Å; S129-Q132 PolarHBondContact O-N 2.99Å; E130-Q132 VanDerWaalsContact C-N 3.31Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3.17Å; Q132-A135 WeakPolarHBondContact O-CB 3.34Å; Q132-A135 PolarHBondContact O-N 3.4Å; Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 WeakPolarHBondContact O-CG 3.37Å; Q132-E136 PolarHBondContact O-N 3.48Å
133L73.3Confident70.9Confident95 Ų95104.5 Ų104.550%0.49758%0.582SS.*Hα-helixtrans-63.4-36.7169.1-73.1170000112.5S129 E130 E136 Q137S129-L133 WeakPolarHBondContact O-CB 3.45Å; S129-L133 VanDerWaalsContact O-CG 3.25Å; S129-L133 WeakPolarHBondContact O-CG 3.42Å; S129-L133 PolarHBondContact O-N 3.25Å; E130-L133 PolarHBondContact O-N 3Å; L133-E136 PolarHBondContact O-N 3.01Å; L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 VanDerWaalsContact O-CG 3.25Å; L133-Q137 WeakPolarHBondContact O-CG 3.43Å; L133-Q137 PolarHBondContact O-N 2.86Å
134K76Confident68.8Low116 Ų116108.7 Ų108.750%0.50460%0.595SS.*Hα-helixtrans-69.8-32.8173.2-79.5169.7171.4162.60112.6E130 L131 Q132 G138E130-K134 WeakPolarHBondContact O-CB 3.49Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 3.41Å; E130-K134 WeakPolarHBondContact OE1-CE 3.47Å; E130-K134 IonicContact OE1-NZ 2.66Å; E130-K134 PolarHBondContact OE1-NZ 3.48Å; L131-K134 PolarHBondContact O-N 3.1Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3.17Å; K134-G138 PolarHBondContact O-N 3.27Å; K134-G138 VanDerWaalsContact O-N 3.12Å
135A68.7Low66.4Low67 Ų67110.6 Ų110.655%0.55461%0.605SS**Hα-helixtrans-71.2-37.3173.200000111.7L131 Q132 G138 A139L131-A135 WeakPolarHBondContact O-CB 3.4Å; L131-A135 PolarHBondContact O-N 3.44Å; Q132-A135 WeakPolarHBondContact O-CB 3.34Å; Q132-A135 PolarHBondContact O-N 3.4Å; A135-G138 PolarHBondContact O-N 3.28Å; A135-A139 PolarHBondContact O-N 2.93Å
136E57.7Low64Low109 Ų109115.1 Ų115.151%0.50962%0.621SS.*Hα-helixtrans-69.5-38.8173.6-73.3170.2-176.400111.7Q132 L133 G138 A139 E140Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 WeakPolarHBondContact O-CG 3.37Å; Q132-E136 PolarHBondContact O-N 3.48Å; L133-E136 PolarHBondContact O-N 3.01Å; E136-G138 PolarHBondContact O-N 3.45Å; E136-A139 PolarHBondContact O-N 3.25Å; E136-E140 PolarHBondContact O-N 3Å
137Q58.8Low61.5Low144 Ų144120 Ų12067%0.67364%0.637SS**Hα-helixtrans-65.5-25.4171.3-75.5172.11000113.2L133 A139L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 VanDerWaalsContact O-CG 3.25Å; L133-Q137 WeakPolarHBondContact O-CG 3.43Å; L133-Q137 PolarHBondContact O-N 2.86Å; Q137-A139 VanDerWaalsContact C-N 3.31Å
138G51.4Low59.2Low66 Ų66122 Ų12268%0.6865%0.647SS**THydrogen-bonded Turntrans-79.3-10.6170.600000114.2K134 A135 E136K134-G138 PolarHBondContact O-N 3.27Å; K134-G138 VanDerWaalsContact O-N 3.12Å; A135-G138 PolarHBondContact O-N 3.28Å; E136-G138 PolarHBondContact O-N 3.45Å
139A51.9Low57.4Low63 Ų63128.4 Ų128.452%0.52166%0.664SS.*THydrogen-bonded Turntrans-102.6-13.3179.700000113.4A135 E136 Q137 E141 D142A135-A139 PolarHBondContact O-N 2.93Å; E136-A139 PolarHBondContact O-N 3.25Å; Q137-A139 VanDerWaalsContact C-N 3.31Å; A139-E141 VanDerWaalsContact C-N 3.33Å; A139-E141 PolarHBondContact O-N 3.47Å; A139-D142 PolarHBondContact O-N 3.29Å
140E49.7Very low54.9Low180 Ų180131.6 Ų131.684%0.84168%0.681SS**THydrogen-bonded Turntrans-81.94.4179.5-75.4-145.9158.700115.6E136E136-E140 PolarHBondContact O-N 3Å
141E47.3Very low52.9Low187 Ų187132.4 Ų132.487%0.87470%0.697SS**THydrogen-bonded Turntrans-88.2-2.9164.9-76.5-154.9164.400114.1A139A139-E141 VanDerWaalsContact C-N 3.33Å; A139-E141 PolarHBondContact O-N 3.47Å
142D49.8Very low50.5Low149 Ų149135.3 Ų135.380%0.79771%0.713SS**SBendtrans-140121.4174.3-93.6-33.6000113.4A139A139-D142 PolarHBondContact O-N 3.29Å
143S43.1Very low48.3Very low111 Ų111134 Ų13478%0.77672%0.721SS**  trans97.370.6156.8-160.80000119.2I145S143-I145 PolarHBondContact O-N 2.92Å
144F47.5Very low46.3Very low198 Ų198132.5 Ų132.587%0.86873%0.729SS**  17.297.1119.5-158.2-89.2000117.3
145I42.1Very low44.4Very low148 Ų148133.1 Ų133.176%0.75974%0.742SS**  trans-153.8119.3132.8-62.8-162.3000109.1S143S143-I145 PolarHBondContact O-N 2.92Å
146E40.8Very low42.8Very low173 Ų173138.3 Ų138.381%0.80876%0.755SS**  trans-74.5115.7175.1-168.4175.6-156.800110.8
147I37.1Very low41.6Very low158 Ų158140.1 Ų140.181%0.8177%0.768SS**  trans-93.3106.7169.7-62.2177.1000108.6R149I147-R149 PolarHBondContact O-N 3.47Å
148I39.6Very low40.4Very low134 Ų134137.9 Ų137.969%0.68776%0.764SS**  trans-59.7115.6170.6-65.3170.2000109.2V150I148-V150 HydrophobicContact CG2-CG2 3.85Å
149R42.4Very low39.6Very low233 Ų233141.1 Ų141.188%0.87977%0.766SS**  trans-79.3121.8160-80.4-174.7-73.8-120.7-4108.7I147I147-R149 PolarHBondContact O-N 3.47Å
150V33.8Very low38.8Very low127 Ų127147 Ų14777%0.7778%0.783SS**  trans-126.5109.2153.7-177.40000107.8I148I148-V150 HydrophobicContact CG2-CG2 3.85Å
151S40.7Very low37.8Very low110 Ų110143.8 Ų143.877%0.76978%0.776SS**  trans-86.5129156.1-51.70000106.9
152D30.2Very low37Very low156 Ų156141.2 Ų141.283%0.83478%0.777SS**  trans-168.7143.9136.2-141.7-6.5000114.3
153A31.9Very low35.9Very low89 Ų89137.3 Ų137.374%0.73677%0.771SS**  trans19.7140.9151.700000123.7
154G32.9Very low35.4Very low64 Ų64137.6 Ų137.666%0.6677%0.773SS**  124.5104.6120.400000118.4
155V34.9Very low34.4Very low129 Ų129134.7 Ų134.778%0.78276%0.763SS**  trans41.9123132.5-105.60000121.9
156E34.5Very low33.9Very low177 Ų177136.8 Ų136.883%0.82776%0.761SS**  64.5114.6125.8-82.2177.8-168.900122.4
157D32.7Very low34.1Very low146 Ų146136.8 Ų136.878%0.78177%0.765SS**  110.1142.7114.9-149.621.9000121
158V34.8Very low34Very low98 Ų98140.1 Ų140.159%0.59477%0.767SS**  trans84.3112.8154.3-156.20000122.7
159N33Very low34.1Very low134 Ų134144.8 Ų144.872%0.71778%0.776SS**  trans59.7123.3145.8-79.4-28.8000121
160Q35.5Very low34Very low185 Ų185139.8 Ų139.886%0.86477%0.774SS**  -156.5130.3103.2-146121.228.200113.2
161T29.3Very low34.1Very low114 Ų114140.3 Ų140.370%0.69977%0.772SS**  trans-44.2144.2169.942.20000118.2
162C29.8Very low34.4Very low133 Ų133141.4 Ų141.490%0.89977%0.769SS**  131.4129.7115.3-161.60000116.3
163G27.8Very low35.3Very low66 Ų66138.3 Ų138.368%0.6876%0.759SS**  trans95.891.8153.200000114.6
164S31.8Very low35.9Very low117 Ų117141.2 Ų141.282%0.81876%0.76SS**  62.8125.173.5-145.10000115.4
165E27.9Very low36.7Very low138 Ų138142.1 Ų142.165%0.64575%0.752SS**  trans88.3119.5152.5-59.4-146.7119.200121.5
166R31.3Very low37.3Very low192 Ų192139.3 Ų139.373%0.72574%0.736SS**  trans70.6105131.7-67.7174-164.6-1432118.4R168R166-R168 PolarHBondContact O-N 2.95Å
167I44.4Very low38.3Very low173 Ų173133.7 Ų133.789%0.88772%0.716SS**  -11.198.3124.3-56167.3000112.3
168R35.5Very low39.4Very low228 Ų228135 Ų13586%0.8671%0.71SS**  trans-147.3127148.1-88.3-163.2175.6161.4-1.6110R166R166-R168 PolarHBondContact O-N 2.95Å
169R40.8Very low40.4Very low232 Ų232135.6 Ų135.688%0.87571%0.706SS**  trans-43.5142.2172.9-64.4174.4175.1172.9-3.6113.2
170P40Very low41.5Very low128 Ų128135.4 Ų135.483%0.83170%0.701SS**  trans-11990.4146.728.1-12000109.4
171D36.9Very low43.2Very low137 Ų137131.4 Ų131.473%0.73369%0.685SS**  trans-141.839.3169.7-152.616.8000112.7
172L46.7Very low45.1Very low134 Ų134130.9 Ų130.970%0.70268%0.675SS**SBendtrans-1352.2177.9-76.4167.3000114.1T176L172-T176 PolarHBondContact O-OG1 2.9Å
173S48.1Very low47Very low90 Ų90129.7 Ų129.763%0.62966%0.656SS**Hα-helixtrans-95.7-21.7-177.8-177.60000114.1T176S173-T176 PolarHBondContact O-OG1 3.36Å
174M44.8Very low49.1Very low151 Ų151128.7 Ų128.774%0.74464%0.642SS**Hα-helixtrans-93.2-19.3-176.4-68.2-60-69.200113.2
175T49.4Very low51.3Low82 Ų82126.4 Ų126.450%0.50362%0.623SS.*Hα-helixtrans-85.9-36176.649.80000112.1Q179T175-Q179 VanDerWaalsContact O-CB 3.3Å; T175-Q179 WeakPolarHBondContact O-CB 3.39Å; T175-Q179 PolarHBondContact O-N 3.46Å
176T47.3Very low53.6Low71 Ų71123.6 Ų123.644%0.43662%0.615SS.*Hα-helixtrans-67.9-45.7175.8410000112.2L172 S173 R178 Q179 E180L172-T176 PolarHBondContact O-OG1 2.9Å; S173-T176 PolarHBondContact O-OG1 3.36Å; T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.23Å; T176-Q179 PolarHBondContact O-N 3.35Å; T176-E180 WeakPolarHBondContact O-CB 3.45Å; T176-E180 WeakPolarHBondContact O-CG 3.32Å; T176-E180 PolarHBondContact O-N 3.16Å
177S56Low55.8Low58 Ų58118 Ų11841%0.40661%0.605SS.*Hα-helixtrans-62.9-34.9176.6176.50000113.4N181S177-N181 WeakPolarHBondContact O-CB 3.27Å; S177-N181 PolarHBondContact O-N 3.4Å; S177-N181 PolarHBondContact O-ND2 2.83Å
178R55.7Low57.6Low173 Ų173118.4 Ų118.465%0.65360%0.595SS**Hα-helixtrans-73.2-40.6176.7-166.4177178.3170.45.8111.4T176 N181 E182T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.23Å; R178-N181 PolarHBondContact O-N 3.4Å; R178-E182 IonicContact NE-OE1 3.98Å; R178-E182 PolarHBondContact NE-OE1 3.03Å; R178-E182 WeakPolarHBondContact O-CG 3.48Å; R178-E182 PolarHBondContact O-N 3.36Å
179Q55.7Low59.9Low112 Ų112113 Ų11352%0.52358%0.583SS.*Hα-helixtrans-69.7-38.2178.1-167.7167.1-17.200112.4T175 T176 N181 E182 E183T175-Q179 VanDerWaalsContact O-CB 3.3Å; T175-Q179 WeakPolarHBondContact O-CB 3.39Å; T175-Q179 PolarHBondContact O-N 3.46Å; T176-Q179 PolarHBondContact O-N 3.35Å; Q179-N181 VanDerWaalsContact C-N 3.35Å; Q179-N181 PolarHBondContact O-N 2.98Å; Q179-E182 PolarHBondContact O-N 2.87Å; Q179-E183 PolarHBondContact NE2-OE1 3.39Å; Q179-E183 WeakPolarHBondContact O-CB 3.5Å; Q179-E183 WeakPolarHBondContact O-CG 3.41Å; Q179-E183 PolarHBondContact O-N 3.49Å
180E57.5Low61.9Low130 Ų130106 Ų10661%0.60756%0.563SS**Hα-helixtrans-64.4-36.9173.2-75.3174.9177.100112.3T176 A184T176-E180 WeakPolarHBondContact O-CB 3.45Å; T176-E180 WeakPolarHBondContact O-CG 3.32Å; T176-E180 PolarHBondContact O-N 3.16Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.03Å
181N69.8Low64Low100 Ų100104.5 Ų104.554%0.53554%0.544SS..Hα-helixtrans-70-38174.7-81.8-47.7000112.5S177 R178 Q179 T185S177-N181 WeakPolarHBondContact O-CB 3.27Å; S177-N181 PolarHBondContact O-N 3.4Å; S177-N181 PolarHBondContact O-ND2 2.83Å; R178-N181 PolarHBondContact O-N 3.4Å; Q179-N181 VanDerWaalsContact C-N 3.35Å; Q179-N181 PolarHBondContact O-N 2.98Å; N181-T185 WeakPolarHBondContact O-CB 3.45Å; N181-T185 PolarHBondContact O-N 2.85Å; N181-T185 PolarHBondContact O-OG1 3.42Å
182E69.3Low66.2Low103 Ų103101.1 Ų101.148%0.48153%0.532SS..Hα-helixtrans-68.8-43.5174.9-72.6171.8-169.600110.8R178 Q179 T185 V186R178-E182 IonicContact NE-OE1 3.98Å; R178-E182 PolarHBondContact NE-OE1 3.03Å; R178-E182 WeakPolarHBondContact O-CG 3.48Å; R178-E182 PolarHBondContact O-N 3.36Å; Q179-E182 PolarHBondContact O-N 2.87Å; E182-T185 PolarHBondContact O-N 2.88Å; E182-V186 VanDerWaalsContact O-CG2 3.29Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 3.35Å
183E70.4Confident68.1Low109 Ų109100.1 Ų100.151%0.50953%0.526SS..Hα-helixtrans-64.8-38.6175.1-75.6176.9-168.400112.6Q179 T185 V186 S187Q179-E183 PolarHBondContact NE2-OE1 3.39Å; Q179-E183 WeakPolarHBondContact O-CB 3.5Å; Q179-E183 WeakPolarHBondContact O-CG 3.41Å; Q179-E183 PolarHBondContact O-N 3.49Å; E183-T185 VanDerWaalsContact C-N 3.33Å; E183-V186 PolarHBondContact O-N 2.93Å; E183-S187 VanDerWaalsContact O-CB 3.28Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 2.93Å; E183-S187 PolarHBondContact O-OG 3.23Å
184A72.7Confident69.9Low45 Ų45103.4 Ų103.437%0.37253%0.525SS..Hα-helixtrans-66.2-35.6173.100000112E180 R188E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.03Å; A184-R188 WeakPolarHBondContact O-CB 3.36Å; A184-R188 PolarHBondContact O-N 3.35Å
185T76.9Confident71.8Confident69 Ų69100.1 Ų100.142%0.42351%0.51SS..Hα-helixtrans-71.5-43.5176.7-56.50000111.2N181 E182 E183 S187 R188 L189N181-T185 WeakPolarHBondContact O-CB 3.45Å; N181-T185 PolarHBondContact O-N 2.85Å; N181-T185 PolarHBondContact O-OG1 3.42Å; E182-T185 PolarHBondContact O-N 2.88Å; E183-T185 VanDerWaalsContact C-N 3.33Å; T185-S187 VanDerWaalsContact C-N 3.35Å; T185-S187 PolarHBondContact O-N 3.31Å; T185-R188 WeakPolarHBondContact O-CB 3.38Å; T185-R188 PolarHBondContact O-N 3.49Å; T185-L189 HydrophobicContact CG2-CD1 4.38Å; T185-L189 WeakPolarHBondContact O-CG 3.49Å; T185-L189 PolarHBondContact O-N 3.3Å
186V76.1Confident73.5Confident79 Ų79100.6 Ų100.648%0.47951%0.507SS..Hα-helixtrans-62.1-42.9174.2171.50000110.8E182 E183 R188 L189 L190E182-V186 VanDerWaalsContact O-CG2 3.29Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 3.35Å; E183-V186 PolarHBondContact O-N 2.93Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.4Å; V186-L189 PolarHBondContact O-N 3.39Å; V186-L190 HydrophobicContact CG1-CD1 3.91Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.19Å
187S78.5Confident75.2Confident75 Ų75100.4 Ų100.452%0.52451%0.506SS..Hα-helixtrans-61.3-39.2176.1-62.90000112.1E183 T185 Q191E183-S187 VanDerWaalsContact O-CB 3.28Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 2.93Å; E183-S187 PolarHBondContact O-OG 3.23Å; T185-S187 VanDerWaalsContact C-N 3.35Å; T185-S187 PolarHBondContact O-N 3.31Å; S187-Q191 WeakPolarHBondContact O-CB 3.46Å; S187-Q191 PolarHBondContact O-N 2.91Å
188R82.3Confident76.6Confident180 Ų180102.8 Ų102.868%0.67951%0.511SS*.Hα-helixtrans-67.1-40.7175.6-164.2-179.1-58.7155.95.3112.2A184 T185 V186 Q191 S192A184-R188 WeakPolarHBondContact O-CB 3.36Å; A184-R188 PolarHBondContact O-N 3.35Å; T185-R188 WeakPolarHBondContact O-CB 3.38Å; T185-R188 PolarHBondContact O-N 3.49Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.4Å; R188-Q191 PolarHBondContact O-N 2.93Å; R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 2.66Å
189L83.9Confident78.1Confident115 Ų115101.5 Ų101.560%0.60251%0.506SS*.Hα-helixtrans-67.2-42.4176.1-71.8170.7000111.9T185 V186 Q191 S192 L193T185-L189 HydrophobicContact CG2-CD1 4.38Å; T185-L189 WeakPolarHBondContact O-CG 3.49Å; T185-L189 PolarHBondContact O-N 3.3Å; V186-L189 PolarHBondContact O-N 3.39Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.91Å; L189-S192 PolarHBondContact O-N 3.17Å; L189-L193 WeakPolarHBondContact O-CB 3.47Å; L189-L193 PolarHBondContact O-N 3Å
190L82.1Confident79.4Confident85 Ų8599.8 Ų99.845%0.44551%0.505SS..Hα-helixtrans-64.8-38.5175.9-72.2174.1000112V186 L193 R194V186-L190 HydrophobicContact CG1-CD1 3.91Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.19Å; L190-L193 PolarHBondContact O-N 2.95Å; L190-R194 WeakPolarHBondContact O-CG 3.34Å; L190-R194 PolarHBondContact O-N 3.42Å
191Q84.8Confident80.7Confident96 Ų9699.4 Ų99.445%0.44950%0.504SS..Hα-helixtrans-66.1-41.6174.1-168.963.236.300111.5S187 R188 L189 L193 R194 N195S187-Q191 WeakPolarHBondContact O-CB 3.46Å; S187-Q191 PolarHBondContact O-N 2.91Å; R188-Q191 PolarHBondContact O-N 2.93Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.91Å; Q191-L193 VanDerWaalsContact C-N 3.33Å; Q191-L193 PolarHBondContact O-N 3.45Å; Q191-R194 PolarHBondContact O-N 2.92Å; Q191-N195 PolarHBondContact NE2-OD1 2.96Å; Q191-N195 PolarHBondContact O-N 2.95Å; Q191-N195 PolarHBondContact O-OD1 3.25Å
192S82.9Confident81.4Confident67 Ų6799.5 Ų99.547%0.46950%0.501SS..Hα-helixtrans-62.5-40.2174.5-1670000111.9R188 L189 N195 E196R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 2.66Å; L189-S192 PolarHBondContact O-N 3.17Å; S192-N195 PolarHBondContact O-N 3.26Å; S192-E196 PolarHBondContact O-N 3.26Å
193L84.9Confident82.3Confident112 Ų11299 Ų9959%0.58650%0.501SS*.Hα-helixtrans-65.8-41.5177.5-168.571.9000111.5L189 L190 Q191 E196 T197L189-L193 WeakPolarHBondContact O-CB 3.47Å; L189-L193 PolarHBondContact O-N 3Å; L190-L193 PolarHBondContact O-N 2.95Å; Q191-L193 VanDerWaalsContact C-N 3.33Å; Q191-L193 PolarHBondContact O-N 3.45Å; L193-E196 PolarHBondContact O-N 3.49Å; L193-T197 WeakPolarHBondContact O-CB 3.34Å; L193-T197 PolarHBondContact O-N 2.92Å; L193-T197 PolarHBondContact O-OG1 2.88Å
194R86.4Confident83Confident159 Ų15999.6 Ų99.660%0.650%0.504SS*.Hα-helixtrans-62.1-44.4174-75.1175.2-176.7151.20.8111.8L190 Q191 T197 Q198L190-R194 WeakPolarHBondContact O-CG 3.34Å; L190-R194 PolarHBondContact O-N 3.42Å; Q191-R194 PolarHBondContact O-N 2.92Å; R194-T197 PolarHBondContact O-N 3.31Å; R194-Q198 WeakPolarHBondContact O-CB 3.37Å; R194-Q198 PolarHBondContact O-N 3.45Å
195N85.2Confident83.5Confident82 Ų82100.5 Ų100.544%0.43951%0.507SS..Hα-helixtrans-62.7-42.9177.9-67.5-7.5000111.4Q191 S192 Q198 R199Q191-N195 PolarHBondContact NE2-OD1 2.96Å; Q191-N195 PolarHBondContact O-N 2.95Å; Q191-N195 PolarHBondContact O-OD1 3.25Å; S192-N195 PolarHBondContact O-N 3.26Å; N195-Q198 PolarHBondContact O-N 2.96Å; N195-R199 WeakPolarHBondContact O-CB 3.5Å; N195-R199 PolarHBondContact O-N 3.36Å
196E84.4Confident84Confident92 Ų92102.7 Ų102.743%0.4351%0.513SS..Hα-helixtrans-71.1-31.2176.1-79-53.6153.500113.3S192 L193 R199 C200S192-E196 PolarHBondContact O-N 3.26Å; L193-E196 PolarHBondContact O-N 3.49Å; E196-R199 PolarHBondContact O-N 3.39Å; E196-R199 IonicContact OE1-NH1 3.72Å; E196-R199 WeakPolarHBondContact OE2-CD 3.39Å; E196-C200 WeakPolarHBondContact O-CB 3.4Å; E196-C200 PolarHBondContact O-N 3.38Å; E196-C200 PolarHBondContact O-SG 3.48Å; E196-C200 VanDerWaalsContact O-SG 3.38Å
197T83.7Confident84.5Confident68 Ų68104.6 Ų104.642%0.41752%0.519SS..Hα-helixtrans-64.4-45.8172.7-53.40000110.4L193 R194 R199 C200 E201L193-T197 WeakPolarHBondContact O-CB 3.34Å; L193-T197 PolarHBondContact O-N 2.92Å; L193-T197 PolarHBondContact O-OG1 2.88Å; R194-T197 PolarHBondContact O-N 3.31Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 2.91Å; T197-C200 WeakPolarHBondContact O-CB 3.32Å; T197-C200 PolarHBondContact O-N 2.91Å; T197-E201 WeakPolarHBondContact O-CG 3.42Å; T197-E201 PolarHBondContact O-N 3.29Å
198Q85.7Confident84.9Confident107 Ų107107.1 Ų107.150%0.552%0.523SS..Hα-helixtrans-63.7-36.7175.8-169.6178.38.400112.1R194 N195 E201 Q202R194-Q198 WeakPolarHBondContact O-CB 3.37Å; R194-Q198 PolarHBondContact O-N 3.45Å; N195-Q198 PolarHBondContact O-N 2.96Å; Q198-E201 PolarHBondContact O-N 2.9Å; Q198-Q202 WeakPolarHBondContact O-CG 3.37Å; Q198-Q202 PolarHBondContact O-N 2.93Å
199R85.9Confident85.3Confident147 Ų147103.4 Ų103.456%0.55552%0.52SS*.Hα-helixtrans-66.2-41.5175-166-179.8-168.9145.34.5111.9N195 E196 T197 Q202 L203N195-R199 WeakPolarHBondContact O-CB 3.5Å; N195-R199 PolarHBondContact O-N 3.36Å; E196-R199 PolarHBondContact O-N 3.39Å; E196-R199 IonicContact OE1-NH1 3.72Å; E196-R199 WeakPolarHBondContact OE2-CD 3.39Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 2.91Å; R199-Q202 PolarHBondContact O-N 2.93Å; R199-L203 HydrophobicContact CG-CD1 4.38Å; R199-L203 WeakPolarHBondContact O-CB 3.08Å; R199-L203 WeakPolarHBondContact O-CG 3.47Å; R199-L203 PolarHBondContact O-N 3.49Å
200C83Confident85.2Confident76 Ų76101.3 Ų101.351%0.51451%0.514SS..Hα-helixtrans-61.6-43.5173.2-78.60000111.7E196 T197 L203 Q204E196-C200 WeakPolarHBondContact O-CB 3.4Å; E196-C200 PolarHBondContact O-N 3.38Å; E196-C200 PolarHBondContact O-SG 3.48Å; E196-C200 VanDerWaalsContact O-SG 3.38Å; T197-C200 WeakPolarHBondContact O-CB 3.32Å; T197-C200 PolarHBondContact O-N 2.91Å; C200-L203 PolarHBondContact O-N 3.37Å; C200-Q204 VanDerWaalsContact O-CB 3.26Å; C200-Q204 WeakPolarHBondContact O-CB 3.45Å; C200-Q204 PolarHBondContact O-N 2.91Å
201E85.1Confident85.4Confident122 Ų122100.3 Ų100.357%0.5751%0.512SS*.Hα-helixtrans-62.6-41.8176.3-72.8173.6178.300112T197 Q198 Q204 S205T197-E201 WeakPolarHBondContact O-CG 3.42Å; T197-E201 PolarHBondContact O-N 3.29Å; Q198-E201 PolarHBondContact O-N 2.9Å; E201-Q204 PolarHBondContact O-N 3.4Å; E201-S205 PolarHBondContact O-N 2.93Å
202Q85.8Confident85.4Confident102 Ų10298 Ų9848%0.47751%0.509SS..Hα-helixtrans-61.5-51.3174.4-74.91732.400111.4Q198 R199 Q204 S205 E206Q198-Q202 WeakPolarHBondContact O-CG 3.37Å; Q198-Q202 PolarHBondContact O-N 2.93Å; R199-Q202 PolarHBondContact O-N 2.93Å; Q202-Q204 VanDerWaalsContact C-N 3.26Å; Q202-Q204 PolarHBondContact O-N 3.18Å; Q202-S205 PolarHBondContact O-N 3.26Å; Q202-S205 VanDerWaalsContact O-N 3.12Å; Q202-S205 PolarHBondContact O-OG 3.34Å; Q202-E206 PolarHBondContact O-N 2.92Å
203L87.2Confident85.7Confident93 Ų93103.6 Ų103.649%0.48752%0.52SS..Hα-helixtrans-60.4-37177.2-72.3171.6000111.9R199 C200 E206 L207R199-L203 HydrophobicContact CG-CD1 4.38Å; R199-L203 WeakPolarHBondContact O-CB 3.08Å; R199-L203 WeakPolarHBondContact O-CG 3.47Å; R199-L203 PolarHBondContact O-N 3.49Å; C200-L203 PolarHBondContact O-N 3.37Å; L203-E206 PolarHBondContact O-N 3.25Å; L203-L207 VanDerWaalsContact O-CB 3.27Å; L203-L207 WeakPolarHBondContact O-CB 3.44Å; L203-L207 PolarHBondContact O-N 2.91Å
204Q84.5Confident85.5Confident121 Ų121102.8 Ų102.857%0.56552%0.515SS*.Hα-helixtrans-65.3-40.1176.3-170.9171.61000111.7C200 E201 Q202 L207 Q208C200-Q204 VanDerWaalsContact O-CB 3.26Å; C200-Q204 WeakPolarHBondContact O-CB 3.45Å; C200-Q204 PolarHBondContact O-N 2.91Å; E201-Q204 PolarHBondContact O-N 3.4Å; Q202-Q204 VanDerWaalsContact C-N 3.26Å; Q202-Q204 PolarHBondContact O-N 3.18Å; Q204-L207 PolarHBondContact O-N 3.49Å; Q204-Q208 WeakPolarHBondContact O-CG 3.5Å; Q204-Q208 PolarHBondContact O-N 3.31Å
205S83.8Confident85.4Confident63 Ų63100.2 Ų100.244%0.44151%0.51SS..Hα-helixtrans-66.1-41.4174.574.70000112.3E201 Q202 L207 Q208 V209E201-S205 PolarHBondContact O-N 2.93Å; Q202-S205 PolarHBondContact O-N 3.26Å; Q202-S205 VanDerWaalsContact O-N 3.12Å; Q202-S205 PolarHBondContact O-OG 3.34Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 3.28Å; S205-Q208 PolarHBondContact O-N 2.9Å; S205-V209 WeakPolarHBondContact O-CG2 3.5Å; S205-V209 PolarHBondContact O-N 3.44Å
206E88.3Confident85.1Confident116 Ų116100.5 Ų100.554%0.54251%0.512SS..Hα-helixtrans-63.8-39.3175.4-71.9179.7-176.400112Q202 L203 V209 C210Q202-E206 PolarHBondContact O-N 2.92Å; L203-E206 PolarHBondContact O-N 3.25Å; E206-V209 PolarHBondContact O-N 3.42Å; E206-C210 PolarHBondContact O-N 3.45Å; E206-C210 PolarHBondContact O-SG 2.99Å
207L86.8Confident84.8Confident118 Ų118101 Ų10162%0.61852%0.517SS*.Hα-helixtrans-69.3-36.6178.9-154.6147.4000111.4L203 Q204 S205 C210 T211L203-L207 VanDerWaalsContact O-CB 3.27Å; L203-L207 WeakPolarHBondContact O-CB 3.44Å; L203-L207 PolarHBondContact O-N 2.91Å; Q204-L207 PolarHBondContact O-N 3.49Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 3.28Å; L207-C210 PolarHBondContact O-N 2.9Å; L207-T211 VanDerWaalsContact O-CB 3.31Å; L207-T211 WeakPolarHBondContact O-CB 3.4Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 2.95Å
208Q86.7Confident84.4Confident129 Ų129102.8 Ų102.860%0.60352%0.521SS*.Hα-helixtrans-62.9-43.3170.4-76.5-179.2-4.300111.9Q204 S205 T211 A212Q204-Q208 WeakPolarHBondContact O-CG 3.5Å; Q204-Q208 PolarHBondContact O-N 3.31Å; S205-Q208 PolarHBondContact O-N 2.9Å; Q208-T211 PolarHBondContact O-N 2.98Å; Q208-A212 PolarHBondContact O-N 3.42Å
209V90.7Very high83.9Confident101 Ų101103.7 Ų103.761%0.61252%0.523SS*.Hα-helixtrans-63.5-43.7176.11720000111.5S205 E206 T211 A212 R213S205-V209 WeakPolarHBondContact O-CG2 3.5Å; S205-V209 PolarHBondContact O-N 3.44Å; E206-V209 PolarHBondContact O-N 3.42Å; V209-T211 VanDerWaalsContact C-N 3.33Å; V209-T211 PolarHBondContact O-N 3.42Å; V209-A212 PolarHBondContact O-N 3.47Å; V209-R213 PolarHBondContact O-N 2.9Å
210C81Confident83Confident71 Ų71101.6 Ų101.648%0.4852%0.523SS..Hα-helixtrans-64.4-38.9176.9-70.40000111.9E206 L207 R213 I214E206-C210 PolarHBondContact O-N 3.45Å; E206-C210 PolarHBondContact O-SG 2.99Å; L207-C210 PolarHBondContact O-N 2.9Å; C210-R213 PolarHBondContact O-N 3.47Å; C210-I214 WeakPolarHBondContact O-CG1 3.5Å; C210-I214 PolarHBondContact O-N 3.31Å
211T86.1Confident82.2Confident65 Ų65105.4 Ų105.440%0.39953%0.527SS..Hα-helixtrans-65.4-42.2177.5-59.10000111.2L207 Q208 V209 R213 I214 Q215L207-T211 VanDerWaalsContact O-CB 3.31Å; L207-T211 WeakPolarHBondContact O-CB 3.4Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 2.95Å; Q208-T211 PolarHBondContact O-N 2.98Å; V209-T211 VanDerWaalsContact C-N 3.33Å; V209-T211 PolarHBondContact O-N 3.42Å; T211-R213 VanDerWaalsContact C-N 3.33Å; T211-R213 PolarHBondContact O-N 2.99Å; T211-I214 PolarHBondContact O-N 3.49Å; T211-Q215 PolarHBondContact O-N 3.15Å
212A85.3Confident81.1Confident48 Ų48107 Ų10740%0.39753%0.532SS..Hα-helixtrans-61-42172.800000111.6Q208 V209 I214 Q215 D216Q208-A212 PolarHBondContact O-N 3.42Å; V209-A212 PolarHBondContact O-N 3.47Å; A212-I214 PolarHBondContact O-N 3.31Å; A212-Q215 PolarHBondContact O-N 3.34Å; A212-D216 PolarHBondContact O-N 2.94Å
213R88.4Confident79.8Confident183 Ų183107.5 Ų107.569%0.69154%0.542SS*.Hα-helixtrans-64.4-38177.2-163.2169.599.3171.65.2112.9V209 C210 T211 D216 L217V209-R213 PolarHBondContact O-N 2.9Å; C210-R213 PolarHBondContact O-N 3.47Å; T211-R213 VanDerWaalsContact C-N 3.33Å; T211-R213 PolarHBondContact O-N 2.99Å; R213-D216 PolarHBondContact O-N 3.44Å; R213-L217 WeakPolarHBondContact O-CG 3.37Å; R213-L217 PolarHBondContact O-N 3.05Å
214I82.6Confident78.2Confident95 Ų95110.7 Ų110.749%0.48756%0.555SS.*Hα-helixtrans-66.4-43.4174.9-69.2167.3000110.4C210 T211 A212 D216 L217 E218C210-I214 WeakPolarHBondContact O-CG1 3.5Å; C210-I214 PolarHBondContact O-N 3.31Å; T211-I214 PolarHBondContact O-N 3.49Å; A212-I214 PolarHBondContact O-N 3.31Å; I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3Å; I214-L217 PolarHBondContact O-N 2.84Å; I214-E218 HydrophobicContact CG2-CG 4.38Å; I214-E218 WeakPolarHBondContact O-CG 3.34Å; I214-E218 PolarHBondContact O-N 3.21Å
215Q83.6Confident76.4Confident106 Ų106112.9 Ų112.950%0.49556%0.562SS.*Hα-helixtrans-60.9-36.5176.2-76.1-176.3-500112.8T211 A212 E218 K219T211-Q215 PolarHBondContact O-N 3.15Å; A212-Q215 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 3.03Å; Q215-K219 WeakPolarHBondContact O-CG 3.3Å; Q215-K219 PolarHBondContact O-N 2.88Å
216D79.3Confident74.6Confident87 Ų87115.6 Ų115.647%0.46558%0.576SS.*Hα-helixtrans-70.3-38.7175-74.1-18.2000112.3A212 R213 I214 E218 K219 N220A212-D216 PolarHBondContact O-N 2.94Å; R213-D216 PolarHBondContact O-N 3.44Å; I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3Å; D216-E218 VanDerWaalsContact C-N 3.35Å; D216-K219 PolarHBondContact O-N 3.38Å; D216-K219 IonicContact OD1-NZ 3.6Å; D216-N220 VanDerWaalsContact O-CG 3.23Å; D216-N220 PolarHBondContact O-N 3.34Å; D216-N220 PolarHBondContact O-ND2 3.34Å
217L78Confident72.2Confident104 Ų104117.2 Ų117.255%0.54559%0.586SS.*Hα-helixtrans-65.1-36.6172.5-72.5172.8000112.3R213 I214 N220 Y221R213-L217 WeakPolarHBondContact O-CG 3.37Å; R213-L217 PolarHBondContact O-N 3.05Å; I214-L217 PolarHBondContact O-N 2.84Å; L217-N220 PolarHBondContact O-N 3.3Å; L217-Y221 VanDerWaalsContact O-CB 3.3Å; L217-Y221 WeakPolarHBondContact O-CB 3.43Å; L217-Y221 PolarHBondContact O-N 3.48Å
218E75.6Confident69.9Low105 Ų105120.5 Ų120.549%0.49160%0.595SS.*Hα-helixtrans-68.1-35.6175.2-75.5-178.1168.900112.7I214 Q215 D216 K222I214-E218 HydrophobicContact CG2-CG 4.38Å; I214-E218 WeakPolarHBondContact O-CG 3.34Å; I214-E218 PolarHBondContact O-N 3.21Å; Q215-E218 PolarHBondContact O-N 3.03Å; D216-E218 VanDerWaalsContact C-N 3.35Å; E218-K222 WeakPolarHBondContact O-CG 3.3Å; E218-K222 PolarHBondContact O-N 3.12Å; E218-K222 VanDerWaalsContact O-N 3.17Å
219K74.3Confident67.2Low125 Ų125120.2 Ų120.254%0.54360%0.602SS.*Hα-helixtrans-65-42.6171.4-72.5171-168.81620110.9Q215 D216 K222 V223Q215-K219 WeakPolarHBondContact O-CG 3.3Å; Q215-K219 PolarHBondContact O-N 2.88Å; D216-K219 PolarHBondContact O-N 3.38Å; D216-K219 IonicContact OD1-NZ 3.6Å; K219-K222 PolarHBondContact O-N 3.4Å; K219-V223 WeakPolarHBondContact O-CG2 3.41Å; K219-V223 PolarHBondContact O-N 2.87Å
220N66.3Low64.3Low104 Ų104121.9 Ų121.956%0.55661%0.613SS**Hα-helixtrans-68.6-39.1178.1-67.5-21.4000112.4D216 L217 K222 V223 E224D216-N220 VanDerWaalsContact O-CG 3.23Å; D216-N220 PolarHBondContact O-N 3.34Å; D216-N220 PolarHBondContact O-ND2 3.34Å; L217-N220 PolarHBondContact O-N 3.3Å; N220-K222 VanDerWaalsContact C-N 3.33Å; N220-K222 PolarHBondContact O-N 3.49Å; N220-V223 PolarHBondContact O-N 3.33Å; N220-V223 VanDerWaalsContact O-N 3.15Å; N220-E224 PolarHBondContact O-N 2.86Å
221Y66.7Low61.8Low155 Ų155126.6 Ų126.661%0.60863%0.628SS**Hα-helixtrans-65.9-32.3176.9-176.7-103.1000112.9L217 V223 E224L217-Y221 VanDerWaalsContact O-CB 3.3Å; L217-Y221 WeakPolarHBondContact O-CB 3.43Å; L217-Y221 PolarHBondContact O-N 3.48Å; Y221-V223 VanDerWaalsContact C-N 3.29Å; Y221-V223 PolarHBondContact O-N 2.84Å; Y221-E224 PolarHBondContact O-N 2.95Å
222K61.3Low59Low155 Ų155129.7 Ų129.767%0.67465%0.647SS**Hα-helixtrans-70.4-23.1174-75.8171.3-177.5169.80113.2E218 K219 N220E218-K222 WeakPolarHBondContact O-CG 3.3Å; E218-K222 PolarHBondContact O-N 3.12Å; E218-K222 VanDerWaalsContact O-N 3.17Å; K219-K222 PolarHBondContact O-N 3.4Å; N220-K222 VanDerWaalsContact C-N 3.33Å; N220-K222 PolarHBondContact O-N 3.49Å
223V58.7Low56.1Low113 Ų113136 Ų13669%0.68567%0.668SS**Hα-helixtrans-81.1-28.9176.7175.10000111.6K219 N220 Y221 T226K219-V223 WeakPolarHBondContact O-CG2 3.41Å; K219-V223 PolarHBondContact O-N 2.87Å; N220-V223 PolarHBondContact O-N 3.33Å; N220-V223 VanDerWaalsContact O-N 3.15Å; Y221-V223 VanDerWaalsContact C-N 3.29Å; Y221-V223 PolarHBondContact O-N 2.84Å; V223-T226 PolarHBondContact O-OG1 2.75Å
224E53.6Low53.8Low161 Ų161133.1 Ų133.175%0.75267%0.67SS**Hα-helixtrans-87.7-10.1-174-151.3167-166.900114.7N220 Y221 T226N220-E224 PolarHBondContact O-N 2.86Å; Y221-E224 PolarHBondContact O-N 2.95Å; E224-T226 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 3.08Å
225K48.5Very low51.2Low166 Ų166138.5 Ų138.572%0.72269%0.69SS**THydrogen-bonded Turntrans-89.716.7177.9-161.8169177.6175.60114.4
226T44.9Very low48.7Very low120 Ų120141.5 Ų141.574%0.73670%0.704SS**SBendtrans-116.839.9179.7-0.30000112.4V223 E224V223-T226 PolarHBondContact O-OG1 2.75Å; E224-T226 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 3.08Å
227M38.2Very low46.4Very low150 Ų150144.6 Ų144.674%0.73972%0.721SS**SBendtrans-145.5116.4176-129.5-176.7166.200112.4
228K39.2Very low45.1Very low188 Ų188144.3 Ų144.382%0.81773%0.725SS**  trans86102.1156.9-65.1173.4178.5175.40119.3
229T29.9Very low43Very low123 Ų123142.6 Ų142.676%0.75573%0.729SS**  trans-104.3137.4154.8-60.60000108.9
230T29.8Very low41.2Very low135 Ų135144 Ų14483%0.82874%0.735SS**  trans177.4102.8148.723.10000107
231Q27.7Very low39.8Very low170 Ų170147.2 Ų147.279%0.79475%0.747SS**  67.6151.777.1-84-164.214.200117.3
232T26.4Very low38.7Very low130 Ų130148.7 Ų148.780%0.79876%0.759SS**  trans86.6104.9174.150.40000116.4
233E26.3Very low38Very low182 Ų182144.5 Ų144.585%0.8574%0.741SS**  70.8104.354.4-73.1-167.5172.200116
234V38.9Very low37.5Very low121 Ų121142.3 Ų142.373%0.73373%0.734SS**  trans40.5130.7130.9-169.90000118.8
235K27.8Very low37.4Very low209 Ų209138.2 Ų138.291%0.90973%0.728SS**  trans-164.8118.3137.4-105157.2-170.3-174.90112.9
236E31.7Very low38Very low168 Ų168133.2 Ų133.279%0.78571%0.714SS**  trans-71.4157.9160.1-58.4173.2141.400110
237D31.7Very low38.9Very low153 Ų153131.5 Ų131.582%0.81870%0.697SS**  trans179.9170.5130.8-112.4-20.1000113.8
238P49Very low40.3Very low98 Ų98128.8 Ų128.864%0.63669%0.689SS**  -127.7-166.6-121.941-20.5000112.9
239A32.6Very low41.9Very low68 Ų68124.2 Ų124.256%0.56267%0.671SS**  trans173.5100.1159.200000111.1K243A239-K243 VanDerWaalsContact C-NZ 3.29Å; A239-K243 WeakPolarHBondContact O-CD 3.24Å; A239-K243 WeakPolarHBondContact O-CE 3.17Å; A239-K243 PolarHBondContact O-NZ 3.39Å
240K35.9Very low44.2Very low156 Ų156122.3 Ų122.368%0.67866%0.656SS**  trans-59.4158174.8-60.7166179.5178.50109.5
241E37.3Very low46.6Very low171 Ų171120.5 Ų120.580%0.79964%0.641SS**SBendcis-17729.746.4-146.3155.4-152.600110.1
242E43.6Very low49Very low185 Ų185117.4 Ų117.486%0.86463%0.625SS**SBendtrans-91.316.9139.6-157.8171.6-173.100108.7
243K45.5Very low51.7Low68 Ų68113.4 Ų113.430%0.29660%0.602SS.*Hα-helixtrans-92.8-21.3-170.4-105.8-168.8-164.81680113.3A239 A245 S246 E247A239-K243 VanDerWaalsContact C-NZ 3.29Å; A239-K243 WeakPolarHBondContact O-CD 3.24Å; A239-K243 WeakPolarHBondContact O-CE 3.17Å; A239-K243 PolarHBondContact O-NZ 3.39Å; K243-A245 VanDerWaalsContact C-N 3.31Å; K243-A245 PolarHBondContact O-N 2.95Å; K243-S246 WeakPolarHBondContact CA-OG 3.38Å; K243-S246 CarbonylContact O-C 3.6Å; K243-S246 PolarHBondContact O-N 2.96Å; K243-S246 PolarHBondContact O-OG 2.92Å; K243-E247 HydrophobicContact CB-CG 4.18Å; K243-E247 WeakPolarHBondContact CB-OE1 3.36Å; K243-E247 WeakPolarHBondContact CD-OE1 3.5Å; K243-E247 HydrophobicContact CG-CG 4.34Å; K243-E247 VanDerWaalsContact O-CA 3.29Å; K243-E247 WeakPolarHBondContact O-CA 3.47Å; K243-E247 WeakPolarHBondContact O-CB 3.33Å; K243-E247 WeakPolarHBondContact O-CG 3.46Å; K243-E247 PolarHBondContact O-N 3.37Å
244A48.3Very low54.6Low66 Ų66109.2 Ų109.255%0.54558%0.583SS.*Hα-helixtrans-65.2-37.8176.900000111.6V248A244-V248 WeakPolarHBondContact O-CB 3.48Å; A244-V248 WeakPolarHBondContact O-CG2 3.5Å; A244-V248 PolarHBondContact O-N 2.98Å
245A53.2Low56.8Low75 Ų75108 Ų10862%0.6258%0.575SS**Hα-helixtrans-76.2-39.3174.600000112.3K243 E249K243-A245 VanDerWaalsContact C-N 3.31Å; K243-A245 PolarHBondContact O-N 2.95Å; A245-E249 VanDerWaalsContact O-CB 3.25Å; A245-E249 WeakPolarHBondContact O-CB 3.43Å; A245-E249 PolarHBondContact O-N 3.01Å
246S59.7Low59.5Low61 Ų61103.9 Ų103.943%0.42755%0.554SS.*Hα-helixtrans-75.5-26.4176.278.30000113.3K243 N250K243-S246 WeakPolarHBondContact CA-OG 3.38Å; K243-S246 CarbonylContact O-C 3.6Å; K243-S246 PolarHBondContact O-N 2.96Å; K243-S246 PolarHBondContact O-OG 2.92Å; S246-N250 WeakPolarHBondContact O-CA 3.4Å; S246-N250 WeakPolarHBondContact O-CB 3.31Å; S246-N250 PolarHBondContact O-N 2.94Å
247E63.6Low62.2Low84 Ų8498.3 Ų98.339%0.39353%0.531SS..Hα-helixtrans-77.9-39.3172.1-73.4166.9-173.500109.4K243 N250 L251K243-E247 HydrophobicContact CB-CG 4.18Å; K243-E247 WeakPolarHBondContact CB-OE1 3.36Å; K243-E247 WeakPolarHBondContact CD-OE1 3.5Å; K243-E247 HydrophobicContact CG-CG 4.34Å; K243-E247 VanDerWaalsContact O-CA 3.29Å; K243-E247 WeakPolarHBondContact O-CA 3.47Å; K243-E247 WeakPolarHBondContact O-CB 3.33Å; K243-E247 WeakPolarHBondContact O-CG 3.46Å; K243-E247 PolarHBondContact O-N 3.37Å; E247-N250 PolarHBondContact O-N 3.49Å; E247-L251 WeakPolarHBondContact O-CA 3.39Å; E247-L251 WeakPolarHBondContact O-CB 3.47Å; E247-L251 WeakPolarHBondContact O-CD1 3.35Å; E247-L251 WeakPolarHBondContact O-CG 3.26Å; E247-L251 PolarHBondContact O-N 3.34Å
248V67.6Low64.9Low93 Ų9396.4 Ų96.456%0.56452%0.52SS*.Hα-helixtrans-65.1-40.6169.7168.80000110.6A244 K252A244-V248 WeakPolarHBondContact O-CB 3.48Å; A244-V248 WeakPolarHBondContact O-CG2 3.5Å; A244-V248 PolarHBondContact O-N 2.98Å; V248-K252 WeakPolarHBondContact O-CB 3.36Å; V248-K252 PolarHBondContact O-N 3.12Å
249E74.6Confident66.9Low92 Ų9297.8 Ų97.843%0.4352%0.517SS..Hα-helixtrans-72.8-34.7175.8-165.459.9-144.300112A245 K252 S253 R256A245-E249 VanDerWaalsContact O-CB 3.25Å; A245-E249 WeakPolarHBondContact O-CB 3.43Å; A245-E249 PolarHBondContact O-N 3.01Å; E249-K252 CarbonylContact O-C 3.58Å; E249-K252 PolarHBondContact O-N 3.31Å; E249-K252 IonicContact OE2-NZ 3.5Å; E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 2.85Å; E249-R256 IonicContact OE1-NH2 2.82Å; E249-R256 PolarHBondContact OE1-NH2 3.07Å
250N76.7Confident69.7Low83 Ų83102 Ų10244%0.44452%0.518SS..Hα-helixtrans-68.6-45172.5-173.47.3000110.8S246 E247 K252 S253 Q254S246-N250 WeakPolarHBondContact O-CA 3.4Å; S246-N250 WeakPolarHBondContact O-CB 3.31Å; S246-N250 PolarHBondContact O-N 2.94Å; E247-N250 PolarHBondContact O-N 3.49Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.1Å; N250-S253 WeakPolarHBondContact CA-OG 3.37Å; N250-S253 CarbonylContact O-C 3.49Å; N250-S253 WeakPolarHBondContact O-CA 3.35Å; N250-S253 WeakPolarHBondContact O-CB 3.3Å; N250-S253 PolarHBondContact O-N 3.42Å; N250-S253 VanDerWaalsContact O-N 3.1Å; N250-S253 PolarHBondContact O-OG 3.24Å; N250-Q254 WeakPolarHBondContact O-CB 3.36Å; N250-Q254 WeakPolarHBondContact O-CG 3.23Å; N250-Q254 PolarHBondContact O-N 2.99Å; N250-Q254 PolarHBondContact OD1-NE2 3.29Å
251L80.8Confident72.4Confident98 Ų9898.4 Ų98.451%0.51351%0.506SS..Hα-helixtrans-60.5-40.4171.2-76165.3000110.7E247 S253 Q254 V255E247-L251 WeakPolarHBondContact O-CA 3.39Å; E247-L251 WeakPolarHBondContact O-CB 3.47Å; E247-L251 WeakPolarHBondContact O-CD1 3.35Å; E247-L251 WeakPolarHBondContact O-CG 3.26Å; E247-L251 PolarHBondContact O-N 3.34Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-Q254 CarbonylContact O-C 3.56Å; L251-Q254 PolarHBondContact O-N 3.46Å; L251-V255 VanDerWaalsContact O-CB 3.31Å; L251-V255 WeakPolarHBondContact O-CB 3.22Å; L251-V255 WeakPolarHBondContact O-CG2 3.3Å; L251-V255 PolarHBondContact O-N 2.85Å
252K78.4Confident75.1Confident104 Ų10496 Ų9645%0.45250%0.498SS..Hα-helixtrans-68.6-32.1174.6-170.3-178176.9-1720111.9V248 E249 N250 R256V248-K252 WeakPolarHBondContact O-CB 3.36Å; V248-K252 PolarHBondContact O-N 3.12Å; E249-K252 CarbonylContact O-C 3.58Å; E249-K252 PolarHBondContact O-N 3.31Å; E249-K252 IonicContact OE2-NZ 3.5Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.1Å; K252-R256 VanDerWaalsContact CE-NH2 3.35Å; K252-R256 VanDerWaalsContact O-CB 3.31Å; K252-R256 WeakPolarHBondContact O-CB 3.43Å; K252-R256 VanDerWaalsContact O-CG 3.24Å; K252-R256 WeakPolarHBondContact O-CG 3.45Å; K252-R256 PolarHBondContact O-N 3.47Å; K252-R256 PolarHBondContact O-NE 2.89Å
253S83.1Confident77.4Confident47 Ų4793.1 Ų93.133%0.32949%0.485SS..Hα-helixtrans-73.1-36.9172.183.60000111.9E249 N250 L251 R256 T257E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 2.85Å; N250-S253 WeakPolarHBondContact CA-OG 3.37Å; N250-S253 CarbonylContact O-C 3.49Å; N250-S253 WeakPolarHBondContact O-CA 3.35Å; N250-S253 WeakPolarHBondContact O-CB 3.3Å; N250-S253 PolarHBondContact O-N 3.42Å; N250-S253 VanDerWaalsContact O-N 3.1Å; N250-S253 PolarHBondContact O-OG 3.24Å; L251-S253 VanDerWaalsContact C-N 3.33Å; S253-R256 PolarHBondContact O-N 3.21Å; S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 2.87Å; S253-T257 PolarHBondContact O-OG1 2.92Å
254Q86.4Confident79.7Confident94 Ų9494.8 Ų94.844%0.43949%0.494SS..Hα-helixtrans-67.3-46.2173.3-77.117711.900110.1N250 L251 R256 T257 L258N250-Q254 WeakPolarHBondContact O-CB 3.36Å; N250-Q254 WeakPolarHBondContact O-CG 3.23Å; N250-Q254 PolarHBondContact O-N 2.99Å; N250-Q254 PolarHBondContact OD1-NE2 3.29Å; L251-Q254 CarbonylContact O-C 3.56Å; L251-Q254 PolarHBondContact O-N 3.46Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 2.94Å; Q254-T257 CarbonylContact O-C 3.59Å; Q254-T257 PolarHBondContact O-N 3.29Å; Q254-T257 VanDerWaalsContact O-N 3.09Å; Q254-L258 VanDerWaalsContact O-CB 3.29Å; Q254-L258 WeakPolarHBondContact O-CB 3.39Å; Q254-L258 VanDerWaalsContact O-CG 3.25Å; Q254-L258 WeakPolarHBondContact O-CG 3.44Å; Q254-L258 PolarHBondContact O-N 3.32Å
255V84.9Confident81.8Confident94 Ų9494.4 Ų94.457%0.5749%0.49SS*.Hα-helixtrans-59.9-42.5173.5168.70000110.4L251 T257 F259L251-V255 VanDerWaalsContact O-CB 3.31Å; L251-V255 WeakPolarHBondContact O-CB 3.22Å; L251-V255 WeakPolarHBondContact O-CG2 3.3Å; L251-V255 PolarHBondContact O-N 2.85Å; V255-T257 VanDerWaalsContact C-N 3.34Å; V255-T257 PolarHBondContact O-N 2.86Å; V255-F259 WeakPolarHBondContact O-CB 3.21Å; V255-F259 PolarHBondContact O-N 3.17Å
256R85.5Confident83.7Confident124 Ų12495.4 Ų95.447%0.46848%0.482SS..Hα-helixtrans-66.2-32.1174-79-174.4-95.8-158.23.6113.4E249 K252 S253 Q254 R260E249-R256 IonicContact OE1-NH2 2.82Å; E249-R256 PolarHBondContact OE1-NH2 3.07Å; K252-R256 VanDerWaalsContact CE-NH2 3.35Å; K252-R256 VanDerWaalsContact O-CB 3.31Å; K252-R256 WeakPolarHBondContact O-CB 3.43Å; K252-R256 VanDerWaalsContact O-CG 3.24Å; K252-R256 WeakPolarHBondContact O-CG 3.45Å; K252-R256 PolarHBondContact O-N 3.47Å; K252-R256 PolarHBondContact O-NE 2.89Å; S253-R256 PolarHBondContact O-N 3.21Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 2.94Å; R256-R260 WeakPolarHBondContact O-CG 3.4Å; R256-R260 PolarHBondContact O-N 3.3Å; R256-R260 VanDerWaalsContact O-N 3.11Å
257T87.1Confident85.3Confident51 Ų5195.2 Ų95.231%0.31348%0.481SS..Hα-helixtrans-78-47.6178.7-54.50000110.6S253 Q254 V255 F259 R260 D261S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 2.87Å; S253-T257 PolarHBondContact O-OG1 2.92Å; Q254-T257 CarbonylContact O-C 3.59Å; Q254-T257 PolarHBondContact O-N 3.29Å; Q254-T257 VanDerWaalsContact O-N 3.09Å; V255-T257 VanDerWaalsContact C-N 3.34Å; V255-T257 PolarHBondContact O-N 2.86Å; T257-F259 PolarHBondContact O-N 3.2Å; T257-R260 CarbonylContact O-C 3.52Å; T257-R260 WeakPolarHBondContact O-CA 3.31Å; T257-R260 WeakPolarHBondContact O-CB 3.45Å; T257-R260 PolarHBondContact O-N 2.96Å; T257-R260 PolarHBondContact OG1-NH2 3.08Å; T257-D261 WeakPolarHBondContact O-CB 3.18Å; T257-D261 PolarHBondContact O-N 2.89Å
258L89.4Confident86.9Confident112 Ų11296.8 Ų96.859%0.58649%0.486SS*.Hα-helixtrans-55.8-38.3169.5-70.5171.8000112Q254 D261 L262Q254-L258 VanDerWaalsContact O-CB 3.29Å; Q254-L258 WeakPolarHBondContact O-CB 3.39Å; Q254-L258 VanDerWaalsContact O-CG 3.25Å; Q254-L258 WeakPolarHBondContact O-CG 3.44Å; Q254-L258 PolarHBondContact O-N 3.32Å; L258-D261 PolarHBondContact O-N 3.45Å; L258-L262 VanDerWaalsContact O-CB 3.22Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 2.86Å
259F90.4Very high88.2Confident128 Ų12896.3 Ų96.356%0.56148%0.48SS*.Hα-helixtrans-66.8-42.3175.1-168.8-91.1000111.9V255 T257 L262 Q263V255-F259 WeakPolarHBondContact O-CB 3.21Å; V255-F259 PolarHBondContact O-N 3.17Å; T257-F259 PolarHBondContact O-N 3.2Å; F259-L262 PolarHBondContact O-N 2.92Å; F259-Q263 VanDerWaalsContact O-CB 3.29Å; F259-Q263 WeakPolarHBondContact O-CB 3.25Å; F259-Q263 PolarHBondContact O-N 3.47Å
260R92.8Very high89.1Confident157 Ų15795.8 Ų95.859%0.59248%0.48SS*.Hα-helixtrans-63.8-40.3172.6-78.4-174.9-66176.72.5111.9R256 T257 Q263 Q264R256-R260 WeakPolarHBondContact O-CG 3.4Å; R256-R260 PolarHBondContact O-N 3.3Å; R256-R260 VanDerWaalsContact O-N 3.11Å; T257-R260 CarbonylContact O-C 3.52Å; T257-R260 WeakPolarHBondContact O-CA 3.31Å; T257-R260 WeakPolarHBondContact O-CB 3.45Å; T257-R260 PolarHBondContact O-N 2.96Å; T257-R260 PolarHBondContact OG1-NH2 3.08Å; R260-Q263 PolarHBondContact O-N 2.92Å; R260-Q264 WeakPolarHBondContact O-CB 3.43Å; R260-Q264 PolarHBondContact O-N 2.91Å
261D91.3Very high90Very high80 Ų8097.2 Ų97.243%0.42848%0.484SS..Hα-helixtrans-68.6-40.1178.9-64.6-17.3000111.1T257 L258 Q264 A265T257-D261 WeakPolarHBondContact O-CB 3.18Å; T257-D261 PolarHBondContact O-N 2.89Å; L258-D261 PolarHBondContact O-N 3.45Å; D261-Q264 PolarHBondContact O-N 3.43Å; D261-A265 VanDerWaalsContact O-CB 3.29Å; D261-A265 WeakPolarHBondContact O-CB 3.25Å; D261-A265 PolarHBondContact O-N 3.49Å
262L93.3Very high90.7Very high120 Ų12094.7 Ų94.763%0.62848%0.478SS*.Hα-helixtrans-62.6-45.1172.3-169.690.7000110.7L258 F259 Q264 A265 Q266L258-L262 VanDerWaalsContact O-CB 3.22Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 2.86Å; F259-L262 PolarHBondContact O-N 2.92Å; L262-Q264 VanDerWaalsContact C-N 3.33Å; L262-Q264 PolarHBondContact O-N 2.92Å; L262-A265 PolarHBondContact O-N 2.91Å; L262-Q266 WeakPolarHBondContact O-CB 3.4Å; L262-Q266 PolarHBondContact O-N 3.38Å
263Q93.4Very high91.4Very high124 Ų12495 Ų9558%0.57948%0.481SS*.Hα-helixtrans-64.3-38.7176.8-169.717322.900111.6F259 R260 Q266 S267F259-Q263 VanDerWaalsContact O-CB 3.29Å; F259-Q263 WeakPolarHBondContact O-CB 3.25Å; F259-Q263 PolarHBondContact O-N 3.47Å; R260-Q263 PolarHBondContact O-N 2.92Å; Q263-Q266 PolarHBondContact O-N 3.07Å; Q263-S267 PolarHBondContact O-N 3.2Å
264Q94Very high92.1Very high104 Ų10494.8 Ų94.849%0.48649%0.486SS..Hα-helixtrans-68.1-39.9174.6-170.1-177.218.700111.7R260 D261 L262 Q266 S267 K268R260-Q264 WeakPolarHBondContact O-CB 3.43Å; R260-Q264 PolarHBondContact O-N 2.91Å; D261-Q264 PolarHBondContact O-N 3.43Å; L262-Q264 VanDerWaalsContact C-N 3.33Å; L262-Q264 PolarHBondContact O-N 2.92Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-S267 PolarHBondContact O-N 3.46Å; Q264-K268 WeakPolarHBondContact O-CB 3.4Å; Q264-K268 VanDerWaalsContact O-CG 3.32Å; Q264-K268 WeakPolarHBondContact O-CG 3.45Å; Q264-K268 PolarHBondContact O-N 3.37Å
265A91.4Very high92.5Very high57 Ų5795.9 Ų95.947%0.47149%0.492SS..Hα-helixtrans-65.1-38.7174.500000111.5D261 L262 K268 L269D261-A265 VanDerWaalsContact O-CB 3.29Å; D261-A265 WeakPolarHBondContact O-CB 3.25Å; D261-A265 PolarHBondContact O-N 3.49Å; L262-A265 PolarHBondContact O-N 2.91Å; A265-K268 PolarHBondContact O-N 2.84Å; A265-L269 WeakPolarHBondContact O-CB 3.36Å; A265-L269 PolarHBondContact O-N 3.26Å
266Q93.6Very high93Very high97 Ų9797.9 Ų97.945%0.45349%0.493SS..Hα-helixtrans-64.1-46.7174-170.864.344.200111.3L262 Q263 Q264 K268 L269 D270L262-Q266 WeakPolarHBondContact O-CB 3.4Å; L262-Q266 PolarHBondContact O-N 3.38Å; Q263-Q266 PolarHBondContact O-N 3.07Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q266-K268 VanDerWaalsContact C-N 3.3Å; Q266-K268 PolarHBondContact O-N 3.41Å; Q266-L269 WeakPolarHBondContact O-CB 3.39Å; Q266-L269 PolarHBondContact O-N 2.92Å; Q266-L269 VanDerWaalsContact O-N 3.1Å; Q266-D270 PolarHBondContact NE2-OD1 2.98Å; Q266-D270 PolarHBondContact O-N 3.49Å
267S93.9Very high93.5Very high56 Ų5698.5 Ų98.539%0.39250%0.499SS..Hα-helixtrans-57.4-43.6174.5-171.20000111.9Q263 Q264 L269 D270 E271Q263-S267 PolarHBondContact O-N 3.2Å; Q264-S267 PolarHBondContact O-N 3.46Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-D270 PolarHBondContact O-N 3.45Å; S267-E271 WeakPolarHBondContact O-CB 3.27Å; S267-E271 VanDerWaalsContact O-CG 3.27Å; S267-E271 WeakPolarHBondContact O-CG 3.26Å; S267-E271 PolarHBondContact O-N 3.15Å; S267-E271 PolarHBondContact OG-OE1 2.92Å
268K95.6Very high94Very high117 Ų117100.9 Ų100.951%0.50951%0.51SS..Hα-helixtrans-66.5-34.8176.4-73.5174.2-179.7174.10112.6Q264 A265 Q266 A272Q264-K268 WeakPolarHBondContact O-CB 3.4Å; Q264-K268 VanDerWaalsContact O-CG 3.32Å; Q264-K268 WeakPolarHBondContact O-CG 3.45Å; Q264-K268 PolarHBondContact O-N 3.37Å; A265-K268 PolarHBondContact O-N 2.84Å; Q266-K268 VanDerWaalsContact C-N 3.3Å; Q266-K268 PolarHBondContact O-N 3.41Å; K268-A272 VanDerWaalsContact O-CB 3.31Å; K268-A272 WeakPolarHBondContact O-CB 3.49Å; K268-A272 PolarHBondContact O-N 3.34Å
269L95.1Very high94.3Very high83 Ų83100.2 Ų100.244%0.43551%0.507SS..Hα-helixtrans-66.2-47.7174.1-179.764.9000110.3A265 Q266 S267 E271 A272 E273A265-L269 WeakPolarHBondContact O-CB 3.36Å; A265-L269 PolarHBondContact O-N 3.26Å; Q266-L269 WeakPolarHBondContact O-CB 3.39Å; Q266-L269 PolarHBondContact O-N 2.92Å; Q266-L269 VanDerWaalsContact O-N 3.1Å; S267-L269 VanDerWaalsContact C-N 3.34Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-E271 PolarHBondContact O-N 3.12Å; L269-A272 CarbonylContact O-C 3.58Å; L269-A272 PolarHBondContact O-N 3.41Å; L269-A272 VanDerWaalsContact O-N 3.1Å; L269-E273 HydrophobicContact CD1-CG 4.43Å; L269-E273 HydrophobicContact CG-CG 4.5Å; L269-E273 WeakPolarHBondContact O-CB 3.4Å; L269-E273 WeakPolarHBondContact O-CG 3.36Å; L269-E273 PolarHBondContact O-N 3.15Å
270D95.1Very high94.6Very high82 Ų8298.7 Ų98.744%0.43950%0.501SS..Hα-helixtrans-61.1-41.3178.1-61.7-15.2000111Q266 S267 E273 G274Q266-D270 PolarHBondContact NE2-OD1 2.98Å; Q266-D270 PolarHBondContact O-N 3.49Å; S267-D270 PolarHBondContact O-N 3.45Å; D270-E273 PolarHBondContact O-N 2.89Å; D270-G274 PolarHBondContact O-N 2.99Å
271E95.6Very high94.8Very high112 Ų11294.5 Ų94.552%0.52349%0.491SS..Hα-helixtrans-61.1-44.4172-75.3167.1-151.700111.9S267 L269 G274 M275S267-E271 WeakPolarHBondContact O-CB 3.27Å; S267-E271 VanDerWaalsContact O-CG 3.27Å; S267-E271 WeakPolarHBondContact O-CG 3.26Å; S267-E271 PolarHBondContact O-N 3.15Å; S267-E271 PolarHBondContact OG-OE1 2.92Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-E271 PolarHBondContact O-N 3.12Å; E271-G274 PolarHBondContact O-N 3.46Å; E271-M275 WeakPolarHBondContact O-CG 3.46Å; E271-M275 PolarHBondContact O-N 2.92Å
272A94.3Very high95Very high46 Ų4698.2 Ų98.238%0.3850%0.499SS..Hα-helixtrans-67.2-37.2177.500000112.7K268 L269 M275 K276K268-A272 VanDerWaalsContact O-CB 3.31Å; K268-A272 WeakPolarHBondContact O-CB 3.49Å; K268-A272 PolarHBondContact O-N 3.34Å; L269-A272 CarbonylContact O-C 3.58Å; L269-A272 PolarHBondContact O-N 3.41Å; L269-A272 VanDerWaalsContact O-N 3.1Å; A272-M275 HydrophobicContact CB-CE 4.47Å; A272-M275 PolarHBondContact O-N 3.02Å; A272-K276 VanDerWaalsContact O-CB 3.28Å; A272-K276 WeakPolarHBondContact O-CB 3.43Å; A272-K276 PolarHBondContact O-N 3.42Å
273E94.2Very high95.1Very high110 Ų11096 Ų9651%0.51449%0.493SS..Hα-helixtrans-66.6-40.5172.9-73.8-173.6170.200111.4L269 D270 K276 K277L269-E273 HydrophobicContact CD1-CG 4.43Å; L269-E273 HydrophobicContact CG-CG 4.5Å; L269-E273 WeakPolarHBondContact O-CB 3.4Å; L269-E273 WeakPolarHBondContact O-CG 3.36Å; L269-E273 PolarHBondContact O-N 3.15Å; D270-E273 PolarHBondContact O-N 2.89Å; E273-K276 PolarHBondContact O-N 2.85Å; E273-K277 WeakPolarHBondContact O-CB 3.38Å; E273-K277 PolarHBondContact O-N 2.89Å
274G96.9Very high95.3Very high42 Ų4297.2 Ų97.243%0.43349%0.492SS..Hα-helixtrans-60.2-46.7171.900000112.3D270 E271 K277 N278D270-G274 PolarHBondContact O-N 2.99Å; E271-G274 PolarHBondContact O-N 3.46Å; G274-K277 PolarHBondContact O-N 2.86Å; G274-N278 PolarHBondContact O-N 3.46Å
275M95.4Very high95.5Very high118 Ų11897.9 Ų97.958%0.58150%0.495SS*.Hα-helixtrans-62.7-43.4174.3-73.9-172.4-75.100112E271 A272 K277 N278 L279E271-M275 WeakPolarHBondContact O-CG 3.46Å; E271-M275 PolarHBondContact O-N 2.92Å; A272-M275 HydrophobicContact CB-CE 4.47Å; A272-M275 PolarHBondContact O-N 3.02Å; M275-K277 VanDerWaalsContact C-N 3.34Å; M275-K277 PolarHBondContact O-N 3.41Å; M275-N278 PolarHBondContact O-N 3.39Å; M275-L279 WeakPolarHBondContact O-CB 3.45Å; M275-L279 WeakPolarHBondContact O-CG 3.35Å; M275-L279 PolarHBondContact O-N 3.32Å
276K95.4Very high95.7Very high136 Ų13699 Ų9959%0.59150%0.496SS*.Hα-helixtrans-59.8-44.1176.1177.3-174172.6-173.70111.4A272 E273 L279 Q280A272-K276 VanDerWaalsContact O-CB 3.28Å; A272-K276 WeakPolarHBondContact O-CB 3.43Å; A272-K276 PolarHBondContact O-N 3.42Å; E273-K276 PolarHBondContact O-N 2.85Å; K276-L279 PolarHBondContact O-N 3.38Å; K276-Q280 WeakPolarHBondContact O-CB 3.42Å; K276-Q280 PolarHBondContact O-N 3.16Å
277K96.4Very high95.8Very high136 Ų136100.8 Ų100.859%0.59150%0.504SS*.Hα-helixtrans-63.9-46.2177.7-172.7179.1178.1-178.30111.2E273 G274 M275 L279 Q280 D281E273-K277 WeakPolarHBondContact O-CB 3.38Å; E273-K277 PolarHBondContact O-N 2.89Å; G274-K277 PolarHBondContact O-N 2.86Å; M275-K277 VanDerWaalsContact C-N 3.34Å; M275-K277 PolarHBondContact O-N 3.41Å; K277-L279 PolarHBondContact O-N 2.88Å; K277-Q280 WeakPolarHBondContact O-CB 3.05Å; K277-Q280 PolarHBondContact O-N 3.07Å; K277-D281 PolarHBondContact O-N 3.43Å
278N96.8Very high96Very high102 Ų102104.5 Ų104.555%0.54552%0.515SS..Hα-helixtrans-59.5-46176.2-171.3-67.8000111.7G274 M275 Q280 D281 R282G274-N278 PolarHBondContact O-N 3.46Å; M275-N278 PolarHBondContact O-N 3.39Å; N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 2.81Å; N278-D281 PolarHBondContact O-N 3.28Å; N278-R282 WeakPolarHBondContact O-CB 3.42Å; N278-R282 PolarHBondContact O-N 3.29Å
279L96.4Very high96.1Very high98 Ų98102.8 Ų102.851%0.51351%0.512SS..Hα-helixtrans-62.5-40.2175.5-72.7172.5000112M275 K276 K277 R282 C283M275-L279 WeakPolarHBondContact O-CB 3.45Å; M275-L279 WeakPolarHBondContact O-CG 3.35Å; M275-L279 PolarHBondContact O-N 3.32Å; K276-L279 PolarHBondContact O-N 3.38Å; K277-L279 PolarHBondContact O-N 2.88Å; L279-R282 PolarHBondContact O-N 2.73Å; L279-C283 WeakPolarHBondContact O-CB 3.07Å; L279-C283 PolarHBondContact O-N 2.91Å; L279-C283 PolarHBondContact O-SG 3.46Å
280Q96.1Very high96.1Very high95 Ų95101.9 Ų101.944%0.44451%0.51SS..Hα-helixtrans-62.7-45.1174.5-87.3-174.6-31.300112.5K276 K277 N278 R282 C283 R284K276-Q280 WeakPolarHBondContact O-CB 3.42Å; K276-Q280 PolarHBondContact O-N 3.16Å; K277-Q280 WeakPolarHBondContact O-CB 3.05Å; K277-Q280 PolarHBondContact O-N 3.07Å; N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 2.81Å; Q280-R282 VanDerWaalsContact C-N 3.31Å; Q280-R282 PolarHBondContact O-N 2.86Å; Q280-C283 PolarHBondContact O-N 2.85Å; Q280-R284 WeakPolarHBondContact O-CG 3.41Å; Q280-R284 PolarHBondContact O-N 2.88Å
281D96.4Very high96.2Very high70 Ų70100.7 Ų100.737%0.37451%0.512SS..Hα-helixtrans-64.6-39.3178.5-68.3-26.4000110.6K277 N278 R284 E285K277-D281 PolarHBondContact O-N 3.43Å; N278-D281 PolarHBondContact O-N 3.28Å; D281-R284 WeakPolarHBondContact O-CB 3.41Å; D281-R284 PolarHBondContact O-N 3.45Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 2.83Å; D281-R284 VanDerWaalsContact OD1-NH1 3.12Å; D281-E285 PolarHBondContact O-N 2.8Å
282R96.9Very high96.3Very high157 Ų15798.4 Ų98.459%0.59251%0.505SS*.Hα-helixtrans-67.3-37.3174.6-146.5168.483.7161.16.8112.8N278 L279 Q280 E285 V286N278-R282 WeakPolarHBondContact O-CB 3.42Å; N278-R282 PolarHBondContact O-N 3.29Å; L279-R282 PolarHBondContact O-N 2.73Å; Q280-R282 VanDerWaalsContact C-N 3.31Å; Q280-R282 PolarHBondContact O-N 2.86Å; R282-E285 PolarHBondContact O-N 3.2Å; R282-V286 WeakPolarHBondContact O-CG2 3.48Å; R282-V286 PolarHBondContact O-N 3.42Å
283C95Very high96.4Very high74 Ų74101.3 Ų101.350%0.551%0.514SS..Hα-helixtrans-62.9-43171.7-73.90000111.3L279 Q280 V286 E287L279-C283 WeakPolarHBondContact O-CB 3.07Å; L279-C283 PolarHBondContact O-N 2.91Å; L279-C283 PolarHBondContact O-SG 3.46Å; Q280-C283 PolarHBondContact O-N 2.85Å; C283-V286 PolarHBondContact O-N 3.28Å; C283-E287 WeakPolarHBondContact O-CB 3.45Å; C283-E287 VanDerWaalsContact O-CG 3.27Å; C283-E287 WeakPolarHBondContact O-CG 3.44Å; C283-E287 PolarHBondContact O-N 3.49Å
284R97.1Very high96.5Very high149 Ų149102.4 Ų102.456%0.56252%0.517SS*.Hα-helixtrans-62.7-41.7176.2-74.1175.7-179150-3.7112.4Q280 D281 E287 Q288Q280-R284 WeakPolarHBondContact O-CG 3.41Å; Q280-R284 PolarHBondContact O-N 2.88Å; D281-R284 WeakPolarHBondContact O-CB 3.41Å; D281-R284 PolarHBondContact O-N 3.45Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 2.83Å; D281-R284 VanDerWaalsContact OD1-NH1 3.12Å; R284-E287 PolarHBondContact O-N 2.91Å; R284-Q288 WeakPolarHBondContact O-CB 3.12Å; R284-Q288 PolarHBondContact O-N 2.95Å
285E97.2Very high96.5Very high118 Ų118103.1 Ų103.155%0.55152%0.518SS*.Hα-helixtrans-61.8-47177-171.2174.3-160.200111D281 R282 E287 Q288 D289D281-E285 PolarHBondContact O-N 2.8Å; R282-E285 PolarHBondContact O-N 3.2Å; E285-E287 PolarHBondContact O-N 3.29Å; E285-Q288 WeakPolarHBondContact O-CB 3.39Å; E285-Q288 PolarHBondContact O-N 2.93Å; E285-D289 PolarHBondContact O-N 2.82Å
286V96.5Very high96.6Very high82 Ų82103 Ų10350%0.49752%0.517SS..Hα-helixtrans-63.7-39.4175.51730000112R282 C283 Q288 D289 V290R282-V286 WeakPolarHBondContact O-CG2 3.48Å; R282-V286 PolarHBondContact O-N 3.42Å; C283-V286 PolarHBondContact O-N 3.28Å; V286-Q288 VanDerWaalsContact C-N 3.31Å; V286-Q288 PolarHBondContact O-N 3.36Å; V286-D289 PolarHBondContact O-N 3.44Å; V286-V290 HydrophobicContact CG1-CG2 4.38Å; V286-V290 WeakPolarHBondContact O-CB 3.4Å; V286-V290 VanDerWaalsContact O-CG2 3.25Å; V286-V290 WeakPolarHBondContact O-CG2 3.47Å; V286-V290 PolarHBondContact O-N 3.48Å
287E95.8Very high96.7Very high133 Ų133101.1 Ų101.162%0.62151%0.512SS*.Hα-helixtrans-61.7-40.6174.4-76.7170.8178.900111.7C283 R284 E285 V290 A291C283-E287 WeakPolarHBondContact O-CB 3.45Å; C283-E287 VanDerWaalsContact O-CG 3.27Å; C283-E287 WeakPolarHBondContact O-CG 3.44Å; C283-E287 PolarHBondContact O-N 3.49Å; R284-E287 PolarHBondContact O-N 2.91Å; E285-E287 PolarHBondContact O-N 3.29Å; E287-V290 PolarHBondContact O-N 2.73Å; E287-A291 WeakPolarHBondContact O-CB 3.37Å; E287-A291 PolarHBondContact O-N 3.42Å
288Q97.4Very high96.7Very high134 Ų134100 Ų10063%0.62651%0.513SS*.Hα-helixtrans-65.6-44.3175.3-175.3174.4-3.800111.6R284 E285 V286 V290 A291 T292R284-Q288 WeakPolarHBondContact O-CB 3.12Å; R284-Q288 PolarHBondContact O-N 2.95Å; E285-Q288 WeakPolarHBondContact O-CB 3.39Å; E285-Q288 PolarHBondContact O-N 2.93Å; V286-Q288 VanDerWaalsContact C-N 3.31Å; V286-Q288 PolarHBondContact O-N 3.36Å; Q288-V290 VanDerWaalsContact C-N 3.34Å; Q288-V290 PolarHBondContact O-N 2.88Å; Q288-A291 WeakPolarHBondContact O-CB 3.29Å; Q288-A291 PolarHBondContact O-N 2.97Å; Q288-A291 VanDerWaalsContact O-N 3.17Å; Q288-T292 PolarHBondContact O-N 2.91Å; Q288-T292 PolarHBondContact O-OG1 3.46Å
289D97.4Very high96.7Very high82 Ų82101.6 Ų101.644%0.43952%0.516SS..Hα-helixtrans-62.5-40.1175.7-74.6-15.9000112.2E285 V286 A291 T292 L293E285-D289 PolarHBondContact O-N 2.82Å; V286-D289 PolarHBondContact O-N 3.44Å; D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 PolarHBondContact O-N 3.27Å; D289-T292 WeakPolarHBondContact CA-OG1 3.31Å; D289-T292 PolarHBondContact O-N 3.23Å; D289-T292 PolarHBondContact O-OG1 3.06Å; D289-L293 WeakPolarHBondContact O-CB 3.31Å; D289-L293 VanDerWaalsContact O-CG 3.25Å; D289-L293 WeakPolarHBondContact O-CG 3.4Å; D289-L293 PolarHBondContact O-N 3.39Å
290V96.8Very high96.8Very high63 Ų63103.6 Ų103.638%0.38252%0.521SS..Hα-helixtrans-65.1-38.3174.9168.70000110.8V286 E287 Q288 K294V286-V290 HydrophobicContact CG1-CG2 4.38Å; V286-V290 WeakPolarHBondContact O-CB 3.4Å; V286-V290 VanDerWaalsContact O-CG2 3.25Å; V286-V290 WeakPolarHBondContact O-CG2 3.47Å; V286-V290 PolarHBondContact O-N 3.48Å; E287-V290 PolarHBondContact O-N 2.73Å; Q288-V290 VanDerWaalsContact C-N 3.34Å; Q288-V290 PolarHBondContact O-N 2.88Å; V290-K294 HydrophobicContact CG1-CD 4.05Å; V290-K294 WeakPolarHBondContact O-CB 3.38Å; V290-K294 WeakPolarHBondContact O-CG 3.47Å; V290-K294 PolarHBondContact O-N 2.92Å
291A97Very high96.8Very high58 Ų58104 Ų10448%0.47952%0.523SS..Hα-helixtrans-66.3-43.2176.500000112E287 Q288 D289 K294 A295E287-A291 WeakPolarHBondContact O-CB 3.37Å; E287-A291 PolarHBondContact O-N 3.42Å; Q288-A291 WeakPolarHBondContact O-CB 3.29Å; Q288-A291 PolarHBondContact O-N 2.97Å; Q288-A291 VanDerWaalsContact O-N 3.17Å; D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 PolarHBondContact O-N 3.27Å; A291-K294 PolarHBondContact O-N 2.89Å; A291-A295 PolarHBondContact O-N 3.47Å
292T96.9Very high96.8Very high63 Ų63103.6 Ų103.639%0.38753%0.529SS..Hα-helixtrans-67.4-44.2177.751.70000111.9Q288 D289 K294 A295 Q296Q288-T292 PolarHBondContact O-N 2.91Å; Q288-T292 PolarHBondContact O-OG1 3.46Å; D289-T292 WeakPolarHBondContact CA-OG1 3.31Å; D289-T292 PolarHBondContact O-N 3.23Å; D289-T292 PolarHBondContact O-OG1 3.06Å; T292-K294 VanDerWaalsContact C-N 3.31Å; T292-K294 PolarHBondContact O-N 2.91Å; T292-A295 PolarHBondContact O-N 2.91Å; T292-A295 VanDerWaalsContact O-N 3.17Å; T292-Q296 WeakPolarHBondContact O-CG 3.46Å; T292-Q296 PolarHBondContact O-N 3.25Å
293L96.9Very high96.8Very high108 Ų10899.6 Ų99.657%0.56552%0.522SS*.Hα-helixtrans-62-37.9176-73.1172.4000112.2D289 Q296 L297D289-L293 WeakPolarHBondContact O-CB 3.31Å; D289-L293 VanDerWaalsContact O-CG 3.25Å; D289-L293 WeakPolarHBondContact O-CG 3.4Å; D289-L293 PolarHBondContact O-N 3.39Å; L293-Q296 PolarHBondContact O-N 3.39Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.39Å
294K96.7Very high96.9Very high132 Ų132101.4 Ų101.457%0.57452%0.523SS*.Hα-helixtrans-63.6-43.5173.5-78.4172.1-179.4173.90111.9V290 A291 T292 L297 L298V290-K294 HydrophobicContact CG1-CD 4.05Å; V290-K294 WeakPolarHBondContact O-CB 3.38Å; V290-K294 WeakPolarHBondContact O-CG 3.47Å; V290-K294 PolarHBondContact O-N 2.92Å; A291-K294 PolarHBondContact O-N 2.89Å; T292-K294 VanDerWaalsContact C-N 3.31Å; T292-K294 PolarHBondContact O-N 2.91Å; K294-L297 PolarHBondContact O-N 2.93Å; K294-L298 WeakPolarHBondContact O-CG 3.29Å; K294-L298 PolarHBondContact O-N 3.44Å; K294-L298 VanDerWaalsContact O-N 3.09Å
295A96.4Very high97Very high57 Ų5797.3 Ų97.347%0.47152%0.522SS..Hα-helixtrans-62.4-45.4176.800000111.7A291 T292 L297 L298 E299A291-A295 PolarHBondContact O-N 3.47Å; T292-A295 PolarHBondContact O-N 2.91Å; T292-A295 VanDerWaalsContact O-N 3.17Å; A295-L297 VanDerWaalsContact C-N 3.33Å; A295-L297 PolarHBondContact O-N 3.46Å; A295-L298 PolarHBondContact O-N 3.42Å; A295-E299 PolarHBondContact O-N 2.98Å
296Q97Very high97Very high117 Ų11796.5 Ų96.555%0.54752%0.518SS..Hα-helixtrans-62.4-38.2176.2-71.1175.90.600112.6T292 L293 E299 K300T292-Q296 WeakPolarHBondContact O-CG 3.46Å; T292-Q296 PolarHBondContact O-N 3.25Å; L293-Q296 PolarHBondContact O-N 3.39Å; Q296-E299 PolarHBondContact O-N 3.2Å; Q296-K300 WeakPolarHBondContact O-CB 3.37Å; Q296-K300 PolarHBondContact O-N 3.2Å
297L97Very high97Very high95 Ų9596.5 Ų96.550%0.49752%0.515SS..Hα-helixtrans-63.4-42.8175.8-179.264.5000111.5L293 K294 A295 K300 Q301L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.39Å; K294-L297 PolarHBondContact O-N 2.93Å; A295-L297 VanDerWaalsContact C-N 3.33Å; A295-L297 PolarHBondContact O-N 3.46Å; L297-K300 PolarHBondContact O-N 3.35Å; L297-Q301 VanDerWaalsContact O-CG 3.31Å; L297-Q301 WeakPolarHBondContact O-CG 3.2Å; L297-Q301 PolarHBondContact O-N 3.03Å
298L97.5Very high97.1Very high114 Ų11494.3 Ų94.360%0.59751%0.505SS*.Hα-helixtrans-64.3-43.5176.9-71173.8000111.7K294 A295 Q301 A302K294-L298 WeakPolarHBondContact O-CG 3.29Å; K294-L298 PolarHBondContact O-N 3.44Å; K294-L298 VanDerWaalsContact O-N 3.09Å; A295-L298 PolarHBondContact O-N 3.42Å; L298-Q301 PolarHBondContact O-N 3.33Å; L298-A302 PolarHBondContact O-N 2.94Å
299E96.8Very high97.2Very high134 Ų13493.3 Ų93.363%0.62650%0.495SS*.Hα-helixtrans-61-45.3175.6-173.3176.7-169.900111.4A295 Q296 Q301 A302 V303A295-E299 PolarHBondContact O-N 2.98Å; Q296-E299 PolarHBondContact O-N 3.2Å; E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.21Å; E299-A302 WeakPolarHBondContact O-CB 3.29Å; E299-A302 PolarHBondContact O-N 3.42Å; E299-V303 WeakPolarHBondContact O-CG2 3.31Å; E299-V303 PolarHBondContact O-N 3.03Å
300K97Very high97.2Very high140 Ų14092.8 Ų92.861%0.60949%0.492SS*.Hα-helixtrans-59.8-42.1175.1-175-179.7177.2-178.90112Q296 L297 Q304Q296-K300 WeakPolarHBondContact O-CB 3.37Å; Q296-K300 PolarHBondContact O-N 3.2Å; L297-K300 PolarHBondContact O-N 3.35Å; K300-Q304 VanDerWaalsContact O-CB 3.28Å; K300-Q304 WeakPolarHBondContact O-CB 3.32Å; K300-Q304 PolarHBondContact O-N 3.33Å
301Q96.9Very high97.3Very high104 Ų10495.3 Ų95.349%0.48650%0.498SS..Hα-helixtrans-64.3-39.9176.2-75.2175.5-2.100111.9L297 L298 E299 Q304 A305L297-Q301 VanDerWaalsContact O-CG 3.31Å; L297-Q301 WeakPolarHBondContact O-CG 3.2Å; L297-Q301 PolarHBondContact O-N 3.03Å; L298-Q301 PolarHBondContact O-N 3.33Å; E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.21Å; Q301-Q304 PolarHBondContact O-N 3.44Å; Q301-A305 WeakPolarHBondContact O-CB 3.35Å; Q301-A305 PolarHBondContact O-N 3.46Å
302A96.9Very high97.3Very high61 Ų6198.9 Ų98.950%0.50451%0.508SS..Hα-helixtrans-63.9-48.117600000111.9L298 E299 Q304 A305 E306L298-A302 PolarHBondContact O-N 2.94Å; E299-A302 WeakPolarHBondContact O-CB 3.29Å; E299-A302 PolarHBondContact O-N 3.42Å; A302-Q304 VanDerWaalsContact C-N 3.26Å; A302-Q304 PolarHBondContact O-N 2.92Å; A302-A305 PolarHBondContact O-N 3.3Å; A302-E306 PolarHBondContact O-N 2.93Å
303V97.4Very high97.4Very high73 Ų73100.3 Ų100.344%0.44251%0.511SS..Hα-helixtrans-61.8-35.9176172.70000111.5E299 E306 N307E299-V303 WeakPolarHBondContact O-CG2 3.31Å; E299-V303 PolarHBondContact O-N 3.03Å; V303-E306 PolarHBondContact O-N 3.29Å; V303-N307 WeakPolarHBondContact O-CB 3.42Å; V303-N307 PolarHBondContact O-N 2.92Å; V303-N307 PolarHBondContact O-ND2 2.67Å
304Q97Very high97.4Very high112 Ų112100.8 Ų100.852%0.52351%0.513SS..Hα-helixtrans-69.3-43177.1-171.4154.2-1.500111.8K300 Q301 A302 E306 N307 E308K300-Q304 VanDerWaalsContact O-CB 3.28Å; K300-Q304 WeakPolarHBondContact O-CB 3.32Å; K300-Q304 PolarHBondContact O-N 3.33Å; Q301-Q304 PolarHBondContact O-N 3.44Å; A302-Q304 VanDerWaalsContact C-N 3.26Å; A302-Q304 PolarHBondContact O-N 2.92Å; Q304-E306 VanDerWaalsContact C-N 3.31Å; Q304-E306 PolarHBondContact O-N 2.99Å; Q304-N307 PolarHBondContact O-N 2.9Å; Q304-E308 WeakPolarHBondContact O-CG 3.43Å; Q304-E308 PolarHBondContact O-N 2.87Å
305A97.6Very high97.5Very high64 Ų6496.1 Ų96.153%0.52950%0.503SS..Hα-helixtrans-61.8-39.7173.700000111.9Q301 A302 E308 R309Q301-A305 WeakPolarHBondContact O-CB 3.35Å; Q301-A305 PolarHBondContact O-N 3.46Å; A302-A305 PolarHBondContact O-N 3.3Å; A305-E308 PolarHBondContact O-N 3.28Å; A305-R309 PolarHBondContact O-N 2.92Å
306E97.4Very high97.5Very high101 Ų10197.1 Ų97.147%0.47251%0.506SS..Hα-helixtrans-66.1-41.1175.1-176.5163.8-151.400112.4A302 V303 Q304 E308 R309 L310A302-E306 PolarHBondContact O-N 2.93Å; V303-E306 PolarHBondContact O-N 3.29Å; Q304-E306 VanDerWaalsContact C-N 3.31Å; Q304-E306 PolarHBondContact O-N 2.99Å; E306-E308 PolarHBondContact O-N 2.91Å; E306-R309 WeakPolarHBondContact O-CB 3.32Å; E306-R309 PolarHBondContact O-N 3.35Å; E306-R309 IonicContact OE1-NH2 3.39Å; E306-R309 PolarHBondContact OE1-NH2 3.46Å; E306-L310 HydrophobicContact CG-CD1 4.17Å; E306-L310 HydrophobicContact CG-CG 4.41Å; E306-L310 WeakPolarHBondContact O-CG 3.48Å; E306-L310 PolarHBondContact O-N 3.11Å
307N97.4Very high97.6Very high81 Ų8196.8 Ų96.843%0.43351%0.507SS..Hα-helixtrans-59.7-45.2173.9-103.4-73.1000112.2V303 Q304 R309 L310 K311V303-N307 WeakPolarHBondContact O-CB 3.42Å; V303-N307 PolarHBondContact O-N 2.92Å; V303-N307 PolarHBondContact O-ND2 2.67Å; Q304-N307 PolarHBondContact O-N 2.9Å; N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 3.02Å; N307-L310 PolarHBondContact O-N 2.69Å; N307-K311 WeakPolarHBondContact O-CG 3.43Å; N307-K311 PolarHBondContact O-N 2.71Å
308E98Very high97.6Very high88 Ų8898.3 Ų98.341%0.41151%0.512SS..Hα-helixtrans-63.6-39.5176.9-67-52.6136.200111.5Q304 A305 E306 K311 L312Q304-E308 WeakPolarHBondContact O-CG 3.43Å; Q304-E308 PolarHBondContact O-N 2.87Å; A305-E308 PolarHBondContact O-N 3.28Å; E306-E308 PolarHBondContact O-N 2.91Å; E308-K311 PolarHBondContact O-N 3.5Å; E308-K311 IonicContact OE1-NZ 2.67Å; E308-K311 PolarHBondContact OE1-NZ 2.9Å; E308-K311 IonicContact OE2-NZ 3.12Å; E308-L312 WeakPolarHBondContact O-CG 3.45Å; E308-L312 PolarHBondContact O-N 3.41Å; E308-L312 VanDerWaalsContact O-N 3.1Å
309R98.4Very high97.6Very high112 Ų11295.6 Ų95.642%0.42351%0.506SS..Hα-helixtrans-60.1-46.6172.5-174.2-173.669.680.4-1.3111.9A305 E306 N307 L312 Q313A305-R309 PolarHBondContact O-N 2.92Å; E306-R309 WeakPolarHBondContact O-CB 3.32Å; E306-R309 PolarHBondContact O-N 3.35Å; E306-R309 IonicContact OE1-NH2 3.39Å; E306-R309 PolarHBondContact OE1-NH2 3.46Å; N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 3.02Å; R309-L312 PolarHBondContact O-N 3.25Å; R309-Q313 VanDerWaalsContact NH1-CD 3.31Å; R309-Q313 WeakPolarHBondContact O-CG 3.33Å; R309-Q313 PolarHBondContact O-N 3.34Å
310L98.1Very high97.7Very high72 Ų7293.9 Ų93.938%0.37750%0.498SS..Hα-helixtrans-66.5-38.5179.4-72.1173.7000112.1E306 N307 L312 Q313 L314E306-L310 HydrophobicContact CG-CD1 4.17Å; E306-L310 HydrophobicContact CG-CG 4.41Å; E306-L310 WeakPolarHBondContact O-CG 3.48Å; E306-L310 PolarHBondContact O-N 3.11Å; N307-L310 PolarHBondContact O-N 2.69Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 2.93Å; L310-Q313 PolarHBondContact O-N 2.98Å; L310-L314 WeakPolarHBondContact O-CB 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.37Å; L310-L314 PolarHBondContact O-N 2.88Å
311K98.2Very high97.7Very high116 Ų11688.9 Ų88.950%0.50449%0.486SS..Hα-helixtrans-59.1-44173.3-76.3175.5-171.61690111.8N307 E308 L314 G315N307-K311 WeakPolarHBondContact O-CG 3.43Å; N307-K311 PolarHBondContact O-N 2.71Å; E308-K311 PolarHBondContact O-N 3.5Å; E308-K311 IonicContact OE1-NZ 2.67Å; E308-K311 PolarHBondContact OE1-NZ 2.9Å; E308-K311 IonicContact OE2-NZ 3.12Å; K311-L314 PolarHBondContact O-N 3.43Å; K311-G315 PolarHBondContact O-N 3.37Å
312L97.9Very high97.7Very high133 Ų13390 Ų9070%0.69649%0.492SS*.Hα-helixtrans-64.2-41.3176-69.4173.4000111.7E308 R309 L310 G315 S316E308-L312 WeakPolarHBondContact O-CG 3.45Å; E308-L312 PolarHBondContact O-N 3.41Å; E308-L312 VanDerWaalsContact O-N 3.1Å; R309-L312 PolarHBondContact O-N 3.25Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 2.93Å; L312-G315 PolarHBondContact O-N 3.4Å; L312-S316 WeakPolarHBondContact O-CB 3.5Å; L312-S316 PolarHBondContact O-N 3.47Å
313Q98.2Very high97.7Very high93 Ų9393 Ų9344%0.43550%0.498SS..Hα-helixtrans-62.9-44.4175.2-73.9-174.8-27.200112.1R309 L310 S316 L317R309-Q313 VanDerWaalsContact NH1-CD 3.31Å; R309-Q313 WeakPolarHBondContact O-CG 3.33Å; R309-Q313 PolarHBondContact O-N 3.34Å; L310-Q313 PolarHBondContact O-N 2.98Å; Q313-S316 PolarHBondContact O-N 2.91Å; Q313-L317 WeakPolarHBondContact O-CG 3.47Å; Q313-L317 PolarHBondContact O-N 3.47Å
314L97.6Very high97.7Very high117 Ų11794.9 Ų94.961%0.61350%0.503SS*.Hα-helixtrans-61.1-43.9174.8-76170.4000111.7L310 K311 S316 L317 Q318L310-L314 WeakPolarHBondContact O-CB 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.37Å; L310-L314 PolarHBondContact O-N 2.88Å; K311-L314 PolarHBondContact O-N 3.43Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S316 PolarHBondContact O-N 2.84Å; L314-L317 PolarHBondContact O-N 3.37Å; L314-Q318 VanDerWaalsContact O-CB 3.27Å; L314-Q318 WeakPolarHBondContact O-CB 3.5Å; L314-Q318 PolarHBondContact O-N 3.46Å
315G98.3Very high97.7Very high35 Ų3594.3 Ų94.336%0.36150%0.5SS..Hα-helixtrans-61.3-41.3175.500000112.7K311 L312 Q318 A319K311-G315 PolarHBondContact O-N 3.37Å; L312-G315 PolarHBondContact O-N 3.4Å; G315-Q318 PolarHBondContact O-N 3.32Å; G315-A319 WeakPolarHBondContact O-CB 3.43Å; G315-A319 PolarHBondContact O-N 3Å
316S97.8Very high97.7Very high78 Ų7897.6 Ų97.655%0.54550%0.502SS..Hα-helixtrans-64.1-45.7175.4-174.20000112.2L312 Q313 L314 A319 Q320L312-S316 WeakPolarHBondContact O-CB 3.5Å; L312-S316 PolarHBondContact O-N 3.47Å; Q313-S316 PolarHBondContact O-N 2.91Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S316 PolarHBondContact O-N 2.84Å; S316-A319 PolarHBondContact O-N 3.38Å; S316-Q320 WeakPolarHBondContact O-CB 3.45Å; S316-Q320 PolarHBondContact O-N 3Å
317L97.9Very high97.7Very high109 Ų10999.2 Ų99.257%0.57151%0.508SS*.Hα-helixtrans-66.6-38.3178.2-72173.6000111.6Q313 L314 Q320 G321Q313-L317 WeakPolarHBondContact O-CG 3.47Å; Q313-L317 PolarHBondContact O-N 3.47Å; L314-L317 PolarHBondContact O-N 3.37Å; L317-Q320 PolarHBondContact O-N 2.88Å; L317-G321 PolarHBondContact O-N 3.28Å
318Q98.2Very high97.7Very high128 Ų12897.1 Ų97.160%0.59850%0.502SS*.Hα-helixtrans-63.3-44.3174.8-174.61796.600111.4L314 G315 G321 Q322L314-Q318 VanDerWaalsContact O-CB 3.27Å; L314-Q318 WeakPolarHBondContact O-CB 3.5Å; L314-Q318 PolarHBondContact O-N 3.46Å; G315-Q318 PolarHBondContact O-N 3.32Å; Q318-G321 PolarHBondContact O-N 3Å; Q318-Q322 WeakPolarHBondContact O-CG 3.4Å; Q318-Q322 PolarHBondContact O-N 2.85Å
319A97.1Very high97.6Very high56 Ų5695.8 Ų95.846%0.46350%0.497SS..Hα-helixtrans-63.9-40.4175.900000111.9G315 S316 Q322 L323G315-A319 WeakPolarHBondContact O-CB 3.43Å; G315-A319 PolarHBondContact O-N 3Å; S316-A319 PolarHBondContact O-N 3.38Å; A319-Q322 PolarHBondContact O-N 3.27Å; A319-L323 PolarHBondContact O-N 2.89Å
320Q97.8Very high97.6Very high98 Ų9894.1 Ų94.146%0.45850%0.497SS..Hα-helixtrans-61.8-46.4174.2-177.4177.2-13.200111.5S316 L317 Q322 L323 E324S316-Q320 WeakPolarHBondContact O-CB 3.45Å; S316-Q320 PolarHBondContact O-N 3Å; L317-Q320 PolarHBondContact O-N 2.88Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.86Å; Q320-L323 WeakPolarHBondContact O-CB 3.46Å; Q320-L323 PolarHBondContact O-N 3.27Å; Q320-L323 VanDerWaalsContact O-N 3.16Å; Q320-E324 PolarHBondContact NE2-OE1 3.02Å; Q320-E324 WeakPolarHBondContact O-CG 3.3Å; Q320-E324 PolarHBondContact O-N 2.87Å
321G96.7Very high97.5Very high36 Ų3695 Ų9537%0.37150%0.502SS..Hα-helixtrans-61.6-39.1177.100000113L317 Q318 E324 Q325L317-G321 PolarHBondContact O-N 3.28Å; Q318-G321 PolarHBondContact O-N 3Å; G321-E324 PolarHBondContact O-N 3.31Å; G321-Q325 VanDerWaalsContact O-CB 3.32Å; G321-Q325 WeakPolarHBondContact O-CB 3.45Å; G321-Q325 PolarHBondContact O-N 3.21Å
322Q98.3Very high97.5Very high127 Ų12796.4 Ų96.459%0.59350%0.504SS*.Hα-helixtrans-63.8-39.9173.7-73.7178.3100112.4Q318 A319 Q320 K326Q318-Q322 WeakPolarHBondContact O-CG 3.4Å; Q318-Q322 PolarHBondContact O-N 2.85Å; A319-Q322 PolarHBondContact O-N 3.27Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.86Å; Q322-K326 WeakPolarHBondContact O-CB 3.44Å; Q322-K326 PolarHBondContact O-N 2.9Å
323L97.3Very high97.5Very high124 Ų12494.5 Ų94.565%0.64949%0.494SS*.Hα-helixtrans-67.1-43.2177.1-175.866.9000111.7A319 Q320 K326 K327A319-L323 PolarHBondContact O-N 2.89Å; Q320-L323 WeakPolarHBondContact O-CB 3.46Å; Q320-L323 PolarHBondContact O-N 3.27Å; Q320-L323 VanDerWaalsContact O-N 3.16Å; L323-K326 PolarHBondContact O-N 2.95Å; L323-K327 WeakPolarHBondContact O-CB 3.42Å; L323-K327 PolarHBondContact O-N 3.32Å
324E96.3Very high97.5Very high113 Ų11394.2 Ų94.253%0.52850%0.496SS..Hα-helixtrans-64-41.8176.1-74.1175.6-169.900111.7Q320 G321 K327 A328Q320-E324 PolarHBondContact NE2-OE1 3.02Å; Q320-E324 WeakPolarHBondContact O-CG 3.3Å; Q320-E324 PolarHBondContact O-N 2.87Å; G321-E324 PolarHBondContact O-N 3.31Å; E324-K327 PolarHBondContact O-N 2.9Å; E324-A328 WeakPolarHBondContact O-CB 3.49Å; E324-A328 PolarHBondContact O-N 3.28Å
325Q97.5Very high97.5Very high99 Ų9993 Ų9346%0.46349%0.49SS..Hα-helixtrans-59.9-48.6174.3-178.861.741.300111.3G321 K327 A328 D329G321-Q325 VanDerWaalsContact O-CB 3.32Å; G321-Q325 WeakPolarHBondContact O-CB 3.45Å; G321-Q325 PolarHBondContact O-N 3.21Å; Q325-K327 VanDerWaalsContact C-N 3.31Å; Q325-K327 PolarHBondContact O-N 3.49Å; Q325-A328 PolarHBondContact O-N 3.05Å; Q325-D329 PolarHBondContact NE2-OD1 3.36Å; Q325-D329 PolarHBondContact NE2-OD2 3.44Å; Q325-D329 VanDerWaalsContact O-CG 3.27Å; Q325-D329 PolarHBondContact O-N 3.27Å
326K97.7Very high97.5Very high133 Ų13393.5 Ų93.558%0.57849%0.49SS*.Hα-helixtrans-59.8-42.8177.2-174.5-179.6177.5-177.90111.6Q322 L323 A328 D329 D330Q322-K326 WeakPolarHBondContact O-CB 3.44Å; Q322-K326 PolarHBondContact O-N 2.9Å; L323-K326 PolarHBondContact O-N 2.95Å; K326-A328 PolarHBondContact O-N 3.22Å; K326-D329 PolarHBondContact O-N 2.92Å; K326-D330 PolarHBondContact O-N 3.48Å
327K98.1Very high97.5Very high136 Ų13695.8 Ų95.859%0.59149%0.492SS*.Hα-helixtrans-61.6-43.1176.4-173.6-178.8177.2-174.40111.8L323 E324 Q325 D329 D330 D331L323-K327 WeakPolarHBondContact O-CB 3.42Å; L323-K327 PolarHBondContact O-N 3.32Å; E324-K327 PolarHBondContact O-N 2.9Å; Q325-K327 VanDerWaalsContact C-N 3.31Å; Q325-K327 PolarHBondContact O-N 3.49Å; K327-D329 VanDerWaalsContact C-N 3.3Å; K327-D329 PolarHBondContact O-N 3.04Å; K327-D330 PolarHBondContact O-N 2.92Å; K327-D331 PolarHBondContact O-N 2.94Å
328A95.6Very high97.6Very high37 Ų3796.3 Ų96.331%0.30650%0.495SS..Hα-helixtrans-63.7-36.7176.100000112.2E324 Q325 K326 D331 R332E324-A328 WeakPolarHBondContact O-CB 3.49Å; E324-A328 PolarHBondContact O-N 3.28Å; Q325-A328 PolarHBondContact O-N 3.05Å; K326-A328 PolarHBondContact O-N 3.22Å; A328-D331 PolarHBondContact O-N 3.13Å; A328-R332 WeakPolarHBondContact O-CG 3.34Å; A328-R332 PolarHBondContact O-N 2.94Å
329D97.1Very high97.6Very high59 Ų5996.2 Ų96.232%0.31649%0.493SS..Hα-helixtrans-68.3-41.1175.6-65.1-27.8000111.5Q325 K326 K327 R332 N333Q325-D329 PolarHBondContact NE2-OD1 3.36Å; Q325-D329 PolarHBondContact NE2-OD2 3.44Å; Q325-D329 VanDerWaalsContact O-CG 3.27Å; Q325-D329 PolarHBondContact O-N 3.27Å; K326-D329 PolarHBondContact O-N 2.92Å; K327-D329 VanDerWaalsContact C-N 3.3Å; K327-D329 PolarHBondContact O-N 3.04Å; D329-R332 PolarHBondContact O-N 2.95Å; D329-R332 IonicContact OD1-CZ 2.76Å; D329-R332 IonicContact OD1-NH1 3.91Å; D329-R332 PolarHBondContact OD1-NH1 3.13Å; D329-N333 VanDerWaalsContact O-CG 3.27Å; D329-N333 PolarHBondContact O-N 3.14Å; D329-N333 PolarHBondContact O-ND2 3.5Å
330D97.7Very high97.6Very high78 Ų7898.2 Ų98.242%0.41750%0.495SS..Hα-helixtrans-61.5-43.1173.2-70-23.6000111.3K326 K327 R332 N333 N334K326-D330 PolarHBondContact O-N 3.48Å; K327-D330 PolarHBondContact O-N 2.92Å; D330-R332 PolarHBondContact O-N 3.35Å; D330-N333 PolarHBondContact O-N 3.29Å; D330-N334 WeakPolarHBondContact O-CB 3.44Å; D330-N334 PolarHBondContact O-N 2.96Å; D330-N334 PolarHBondContact O-ND2 3.34Å
331D97.3Very high97.6Very high89 Ų8996.1 Ų96.148%0.47650%0.495SS..Hα-helixtrans-64.9-37.9175.9-72.9-23.1000112.3K327 A328 N334 L335K327-D331 PolarHBondContact O-N 2.94Å; A328-D331 PolarHBondContact O-N 3.13Å; D331-N334 PolarHBondContact O-N 3.49Å; D331-L335 WeakPolarHBondContact O-CB 3.33Å; D331-L335 PolarHBondContact O-N 3.38Å
332R97.8Very high97.7Very high147 Ų147102 Ų10256%0.55551%0.507SS*.Hα-helixtrans-63.4-42172.5-75.9-176.6-157.5126.710.1111.8A328 D329 D330 L335 A336A328-R332 WeakPolarHBondContact O-CG 3.34Å; A328-R332 PolarHBondContact O-N 2.94Å; D329-R332 PolarHBondContact O-N 2.95Å; D329-R332 IonicContact OD1-CZ 2.76Å; D329-R332 IonicContact OD1-NH1 3.91Å; D329-R332 PolarHBondContact OD1-NH1 3.13Å; D330-R332 PolarHBondContact O-N 3.35Å; R332-L335 PolarHBondContact O-N 2.86Å; R332-A336 WeakPolarHBondContact O-CB 3.17Å; R332-A336 PolarHBondContact O-N 3.47Å
333N98Very high97.7Very high92 Ų9299 Ų9949%0.49250%0.497SS..Hα-helixtrans-64.2-43.3176.6-70-28.1000111.3D329 D330 L335 A336 Q337D329-N333 VanDerWaalsContact O-CG 3.27Å; D329-N333 PolarHBondContact O-N 3.14Å; D329-N333 PolarHBondContact O-ND2 3.5Å; D330-N333 PolarHBondContact O-N 3.29Å; N333-L335 PolarHBondContact O-N 3.45Å; N333-A336 PolarHBondContact O-N 2.94Å; N333-Q337 WeakPolarHBondContact O-CG 3.21Å; N333-Q337 PolarHBondContact O-N 3.22Å
334N98.3Very high97.8Very high88 Ų8899.4 Ų99.447%0.47149%0.494SS..Hα-helixtrans-61.7-43175.4-69.9-25.6000111.6D330 D331 Q337 L338D330-N334 WeakPolarHBondContact O-CB 3.44Å; D330-N334 PolarHBondContact O-N 2.96Å; D330-N334 PolarHBondContact O-ND2 3.34Å; D331-N334 PolarHBondContact O-N 3.49Å; N334-Q337 PolarHBondContact O-N 2.89Å; N334-L338 WeakPolarHBondContact O-CB 3.49Å; N334-L338 PolarHBondContact O-N 2.94Å
335L97.8Very high97.9Very high92 Ų9299.5 Ų99.548%0.48250%0.497SS..Hα-helixtrans-63.6-41175.7179.963.2000111.9D331 R332 N333 L338 K339D331-L335 WeakPolarHBondContact O-CB 3.33Å; D331-L335 PolarHBondContact O-N 3.38Å; R332-L335 PolarHBondContact O-N 2.86Å; N333-L335 PolarHBondContact O-N 3.45Å; L335-L338 PolarHBondContact O-N 3.31Å; L335-K339 HydrophobicContact CG-CD 4.44Å; L335-K339 VanDerWaalsContact O-CG 3.32Å; L335-K339 WeakPolarHBondContact O-CG 3.4Å; L335-K339 PolarHBondContact O-N 3.13Å
336A98Very high97.9Very high45 Ų4599.9 Ų99.937%0.37250%0.498SS..Hα-helixtrans-62.3-47.717600000111.2R332 N333 L338 K339 D340R332-A336 WeakPolarHBondContact O-CB 3.17Å; R332-A336 PolarHBondContact O-N 3.47Å; N333-A336 PolarHBondContact O-N 2.94Å; A336-L338 VanDerWaalsContact C-N 3.31Å; A336-L338 PolarHBondContact O-N 3.43Å; A336-K339 WeakPolarHBondContact O-CB 3.46Å; A336-K339 PolarHBondContact O-N 3.35Å; A336-D340 PolarHBondContact O-N 3.48Å
337Q98.3Very high97.9Very high126 Ų12698.4 Ų98.459%0.58949%0.493SS*.Hα-helixtrans-59.8-40.5175.8-70.8175.825.100112.3N333 N334 D340 A341N333-Q337 WeakPolarHBondContact O-CG 3.21Å; N333-Q337 PolarHBondContact O-N 3.22Å; N334-Q337 PolarHBondContact O-N 2.89Å; Q337-D340 PolarHBondContact O-N 3.43Å; Q337-A341 WeakPolarHBondContact O-CB 3.45Å; Q337-A341 PolarHBondContact O-N 3.47Å
338L98.3Very high97.9Very high119 Ų11996.4 Ų96.462%0.62349%0.488SS*.Hα-helixtrans-66.7-39.2177.5-174.362.7000111.9N334 L335 A336 A341 Y342N334-L338 WeakPolarHBondContact O-CB 3.49Å; N334-L338 PolarHBondContact O-N 2.94Å; L335-L338 PolarHBondContact O-N 3.31Å; A336-L338 VanDerWaalsContact C-N 3.31Å; A336-L338 PolarHBondContact O-N 3.43Å; L338-A341 PolarHBondContact O-N 2.89Å; L338-Y342 WeakPolarHBondContact O-CB 3.39Å; L338-Y342 PolarHBondContact O-N 3.46Å
339K98.1Very high97.9Very high127 Ų127101.6 Ų101.655%0.55250%0.501SS*.Hα-helixtrans-62.9-44.3173.6-75.9176.4177.4-176.50111.4L335 A336 Y342 T343L335-K339 HydrophobicContact CG-CD 4.44Å; L335-K339 VanDerWaalsContact O-CG 3.32Å; L335-K339 WeakPolarHBondContact O-CG 3.4Å; L335-K339 PolarHBondContact O-N 3.13Å; A336-K339 WeakPolarHBondContact O-CB 3.46Å; A336-K339 PolarHBondContact O-N 3.35Å; K339-Y342 PolarHBondContact O-N 2.82Å; K339-T343 PolarHBondContact O-N 2.91Å; K339-T343 PolarHBondContact O-OG1 3.37Å
340D98.3Very high97.9Very high98 Ų98101.6 Ų101.652%0.52450%0.501SS..Hα-helixtrans-63.9-41.9177.4-69.8-10.8000111.5A336 Q337 T343 K344A336-D340 PolarHBondContact O-N 3.48Å; Q337-D340 PolarHBondContact O-N 3.43Å; D340-T343 PolarHBondContact O-N 3.31Å; D340-K344 WeakPolarHBondContact O-CG 3.11Å; D340-K344 PolarHBondContact O-N 2.86Å
341A98.2Very high97.8Very high53 Ų53104.4 Ų104.444%0.43851%0.512SS..Hα-helixtrans-63.7-41.4175.600000112.1Q337 L338 L345Q337-A341 WeakPolarHBondContact O-CB 3.45Å; Q337-A341 PolarHBondContact O-N 3.47Å; L338-A341 PolarHBondContact O-N 2.89Å; A341-L345 WeakPolarHBondContact O-CB 3.07Å; A341-L345 PolarHBondContact O-N 3.45Å
342Y98.1Very high97.8Very high160 Ų160105.7 Ų105.763%0.62752%0.518SS*.Hα-helixtrans-63.7-45.9175.7179.6-92.6000111.8L338 K339 K344 L345 F346L338-Y342 WeakPolarHBondContact O-CB 3.39Å; L338-Y342 PolarHBondContact O-N 3.46Å; K339-Y342 PolarHBondContact O-N 2.82Å; Y342-K344 PolarHBondContact O-N 2.87Å; Y342-L345 PolarHBondContact O-N 3.48Å; Y342-F346 WeakPolarHBondContact O-CB 3.41Å; Y342-F346 PolarHBondContact O-N 2.9Å
343T98.4Very high97.7Very high65 Ų65104.2 Ų104.240%0.39952%0.516SS..Hα-helixtrans-59.4-47.2177.5-57.80000111K339 D340 L345 F346 E347K339-T343 PolarHBondContact O-N 2.91Å; K339-T343 PolarHBondContact O-OG1 3.37Å; D340-T343 PolarHBondContact O-N 3.31Å; T343-L345 PolarHBondContact O-N 3.37Å; T343-F346 WeakPolarHBondContact O-CB 3.26Å; T343-F346 PolarHBondContact O-N 3.22Å; T343-E347 WeakPolarHBondContact O-CG 3.38Å; T343-E347 PolarHBondContact O-N 3.43Å
344K98.4Very high97.6Very high131 Ų131104.7 Ų104.757%0.5752%0.515SS*.Hα-helixtrans-59.9-45.8175.9-73.7174.6-177.61770112.5D340 Y342 F346 E347 D348D340-K344 WeakPolarHBondContact O-CG 3.11Å; D340-K344 PolarHBondContact O-N 2.86Å; Y342-K344 PolarHBondContact O-N 2.87Å; K344-F346 PolarHBondContact O-N 3.44Å; K344-E347 WeakPolarHBondContact O-CB 3.23Å; K344-E347 PolarHBondContact O-N 2.89Å; K344-D348 WeakPolarHBondContact O-CB 3.18Å; K344-D348 VanDerWaalsContact O-CG 3.27Å; K344-D348 PolarHBondContact O-N 3.16Å
345L98.4Very high97.4Very high115 Ų115104.3 Ų104.360%0.60251%0.51SS*.Hα-helixtrans-62.8-34.8178-17565.9000112A341 Y342 T343 Y349A341-L345 WeakPolarHBondContact O-CB 3.07Å; A341-L345 PolarHBondContact O-N 3.45Å; Y342-L345 PolarHBondContact O-N 3.48Å; T343-L345 PolarHBondContact O-N 3.37Å; L345-Y349 VanDerWaalsContact O-CB 3.31Å; L345-Y349 WeakPolarHBondContact O-CB 3.24Å; L345-Y349 PolarHBondContact O-N 2.97Å
346F98Very high97.3Very high107 Ų107107 Ų10747%0.46952%0.518SS..Hα-helixtrans-69.4-40.9175.8-176.4-99000112.1Y342 T343 K344 Y349 N350Y342-F346 WeakPolarHBondContact O-CB 3.41Å; Y342-F346 PolarHBondContact O-N 2.9Å; T343-F346 WeakPolarHBondContact O-CB 3.26Å; T343-F346 PolarHBondContact O-N 3.22Å; K344-F346 PolarHBondContact O-N 3.44Å; F346-Y349 PolarHBondContact O-N 2.88Å; F346-N350 WeakPolarHBondContact CD1-ND2 3.38Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.49Å; F346-N350 WeakPolarHBondContact CZ-ND2 3.4Å; F346-N350 PolarHBondContact O-N 2.83Å; F346-N350 PolarHBondContact O-ND2 2.88Å
347E97.8Very high97.1Very high103 Ų103110.7 Ų110.748%0.48153%0.526SS..Hα-helixtrans-60-52.7171.8-71.3168177.100110.5T343 K344 Y349 N350 E351T343-E347 WeakPolarHBondContact O-CG 3.38Å; T343-E347 PolarHBondContact O-N 3.43Å; K344-E347 WeakPolarHBondContact O-CB 3.23Å; K344-E347 PolarHBondContact O-N 2.89Å; E347-Y349 VanDerWaalsContact C-N 3.3Å; E347-Y349 PolarHBondContact O-N 2.97Å; E347-N350 PolarHBondContact O-N 3.35Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.36Å
348D97.5Very high97Very high93 Ų93111.5 Ų111.550%0.49752%0.524SS..Hα-helixtrans-55.7-43.1177.3-69.4-16.5000111.9K344 E351 L352K344-D348 WeakPolarHBondContact O-CB 3.18Å; K344-D348 VanDerWaalsContact O-CG 3.27Å; K344-D348 PolarHBondContact O-N 3.16Å; D348-E351 PolarHBondContact O-N 3.37Å; D348-L352 WeakPolarHBondContact O-CB 3.47Å; D348-L352 PolarHBondContact O-N 2.85Å
349Y97.1Very high96.8Very high147 Ų147110.9 Ų110.958%0.57652%0.516SS*.Hα-helixtrans-62.7-43.3177.3172-97.9000112.2L345 F346 E347 L352 K353L345-Y349 VanDerWaalsContact O-CB 3.31Å; L345-Y349 WeakPolarHBondContact O-CB 3.24Å; L345-Y349 PolarHBondContact O-N 2.97Å; F346-Y349 PolarHBondContact O-N 2.88Å; E347-Y349 VanDerWaalsContact C-N 3.3Å; E347-Y349 PolarHBondContact O-N 2.97Å; Y349-L352 PolarHBondContact O-N 3.48Å; Y349-K353 WeakPolarHBondContact O-CB 3.34Å; Y349-K353 PolarHBondContact O-N 3.18Å
350N95.5Very high96.5Very high59 Ų59110.4 Ų110.432%0.31652%0.516SS..Hα-helixtrans-67.1-41.5177.8-75.2-33.6000111.5F346 E347 K353 E354F346-N350 WeakPolarHBondContact CD1-ND2 3.38Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.49Å; F346-N350 WeakPolarHBondContact CZ-ND2 3.4Å; F346-N350 PolarHBondContact O-N 2.83Å; F346-N350 PolarHBondContact O-ND2 2.88Å; E347-N350 PolarHBondContact O-N 3.35Å; N350-K353 WeakPolarHBondContact O-CB 3.45Å; N350-K353 PolarHBondContact O-N 3.41Å; N350-E354 PolarHBondContact O-N 3.5Å
351E97.2Very high96.2Very high136 Ų136109.2 Ų109.264%0.63652%0.515SS*.Hα-helixtrans-59.4-46.7174-72.2-174.8-177.300111.3E347 D348 K353 E354 E355E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.36Å; D348-E351 PolarHBondContact O-N 3.37Å; E351-K353 VanDerWaalsContact C-N 3.29Å; E351-K353 PolarHBondContact O-N 3.23Å; E351-E354 PolarHBondContact O-N 3.36Å; E351-E355 WeakPolarHBondContact O-CB 3.41Å; E351-E355 PolarHBondContact O-N 3.31Å
352L95.9Very high95.9Very high117 Ų117111.5 Ų111.561%0.61352%0.516SS*.Hα-helixtrans-62.6-37.3178.3-149.990000112D348 Y349 K356D348-L352 WeakPolarHBondContact O-CB 3.47Å; D348-L352 PolarHBondContact O-N 2.85Å; Y349-L352 PolarHBondContact O-N 3.48Å; L352-K356 WeakPolarHBondContact O-CB 3.33Å; L352-K356 PolarHBondContact O-N 2.81Å
353K96.2Very high95.7Very high115 Ų115109.2 Ų109.250%0.551%0.513SS..Hα-helixtrans-65.4-46.7176.5-178.8-173.3174.6-168.30111.4Y349 N350 E351 K356 K357Y349-K353 WeakPolarHBondContact O-CB 3.34Å; Y349-K353 PolarHBondContact O-N 3.18Å; N350-K353 WeakPolarHBondContact O-CB 3.45Å; N350-K353 PolarHBondContact O-N 3.41Å; E351-K353 VanDerWaalsContact C-N 3.29Å; E351-K353 PolarHBondContact O-N 3.23Å; K353-K356 PolarHBondContact O-N 2.65Å; K353-K357 PolarHBondContact O-N 2.75Å
354E95.9Very high95.4Very high103 Ų103110.4 Ų110.448%0.48152%0.52SS..Hα-helixtrans-68.4-36.9176.9-69.7-54126.400111.6N350 E351 K356 K357 R358N350-E354 PolarHBondContact O-N 3.5Å; E351-E354 PolarHBondContact O-N 3.36Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.41Å; E354-K357 PolarHBondContact O-N 3.2Å; E354-R358 WeakPolarHBondContact O-CB 3.33Å; E354-R358 PolarHBondContact O-N 3.45Å
355E95.3Very high95.2Very high79 Ų79110.3 Ų110.337%0.36952%0.521SS..Hα-helixtrans-63.4-41.1174.5-158.3-155.8178.800111.4E351 R358 K359E351-E355 WeakPolarHBondContact O-CB 3.41Å; E351-E355 PolarHBondContact O-N 3.31Å; E355-R358 PolarHBondContact O-N 3.41Å; E355-K359 WeakPolarHBondContact O-CB 3.41Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.86Å; E355-K359 WeakPolarHBondContact OE1-CE 3.45Å; E355-K359 IonicContact OE1-NZ 3.49Å; E355-K359 PolarHBondContact OE1-NZ 2.8Å; E355-K359 IonicContact OE2-NZ 3.71Å; E355-K359 PolarHBondContact OE2-NZ 2.96Å
356K94.5Very high95Very high148 Ų148111.9 Ų111.964%0.64352%0.519SS*.Hα-helixtrans-61.9-46.1174.3-175.7-179.3177.9-176.90111.3L352 K353 E354 R358 K359 E360L352-K356 WeakPolarHBondContact O-CB 3.33Å; L352-K356 PolarHBondContact O-N 2.81Å; K353-K356 PolarHBondContact O-N 2.65Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.41Å; K356-R358 VanDerWaalsContact C-N 3.33Å; K356-R358 PolarHBondContact O-N 3.27Å; K356-K359 PolarHBondContact O-N 3.45Å; K356-E360 WeakPolarHBondContact O-CB 3.34Å; K356-E360 PolarHBondContact O-N 2.95Å
357K95.1Very high94.8Very high124 Ų124110.3 Ų110.354%0.53952%0.516SS..Hα-helixtrans-61-43176.9-172.6-178.7176.3-170.50111.4K353 E354 E360 S361K353-K357 PolarHBondContact O-N 2.75Å; E354-K357 PolarHBondContact O-N 3.2Å; K357-E360 PolarHBondContact O-N 3.46Å; K357-S361 PolarHBondContact O-N 2.79Å; K357-S361 PolarHBondContact O-OG 3.43Å; K357-S361 VanDerWaalsContact O-OG 3.13Å
358R95.1Very high94.6Very high143 Ų143110.1 Ų110.154%0.5452%0.518SS..Hα-helixtrans-62.5-44.2175.4-167.4-168.468.877-0.9111.9E354 E355 K356 E360 S361 H362E354-R358 WeakPolarHBondContact O-CB 3.33Å; E354-R358 PolarHBondContact O-N 3.45Å; E355-R358 PolarHBondContact O-N 3.41Å; K356-R358 VanDerWaalsContact C-N 3.33Å; K356-R358 PolarHBondContact O-N 3.27Å; R358-E360 VanDerWaalsContact C-N 3.34Å; R358-S361 PolarHBondContact O-N 2.82Å; R358-H362 VanDerWaalsContact O-CB 3.29Å; R358-H362 WeakPolarHBondContact O-CB 3.14Å; R358-H362 PolarHBondContact O-N 3.48Å
359K93.6Very high94.5Very high105 Ų105109.7 Ų109.746%0.45752%0.518SS..Hα-helixtrans-61.9-41.6175.6-77.4170.8179.8160.60111.4E355 K356 H362 M363E355-K359 WeakPolarHBondContact O-CB 3.41Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.86Å; E355-K359 WeakPolarHBondContact OE1-CE 3.45Å; E355-K359 IonicContact OE1-NZ 3.49Å; E355-K359 PolarHBondContact OE1-NZ 2.8Å; E355-K359 IonicContact OE2-NZ 3.71Å; E355-K359 PolarHBondContact OE2-NZ 2.96Å; K356-K359 PolarHBondContact O-N 3.45Å; K359-H362 PolarHBondContact O-N 2.96Å; K359-M363 WeakPolarHBondContact O-CB 3.34Å; K359-M363 PolarHBondContact O-N 3.37Å
360E93.2Very high94.5Very high118 Ų118106.8 Ų106.855%0.55151%0.51SS*.Hα-helixtrans-64.8-48.1177.1-173.2171.6-17000111.6K356 K357 R358 H362 M363 V364K356-E360 WeakPolarHBondContact O-CB 3.34Å; K356-E360 PolarHBondContact O-N 2.95Å; K357-E360 PolarHBondContact O-N 3.46Å; R358-E360 VanDerWaalsContact C-N 3.34Å; E360-H362 VanDerWaalsContact C-N 3.35Å; E360-H362 PolarHBondContact O-N 2.94Å; E360-M363 PolarHBondContact O-N 3.25Å; E360-M363 VanDerWaalsContact O-N 3.16Å; E360-V364 WeakPolarHBondContact O-CG2 3.35Å; E360-V364 PolarHBondContact O-N 2.87Å
361S90.9Very high94.5Very high73 Ų73108 Ų10851%0.5152%0.516SS..Hα-helixtrans-59.1-44.9174.6-59.40000112.1K357 R358 M363 V364 E365K357-S361 PolarHBondContact O-N 2.79Å; K357-S361 PolarHBondContact O-OG 3.43Å; K357-S361 VanDerWaalsContact O-OG 3.13Å; R358-S361 PolarHBondContact O-N 2.82Å; S361-M363 VanDerWaalsContact C-N 3.31Å; S361-M363 PolarHBondContact O-N 2.76Å; S361-V364 PolarHBondContact O-N 2.91Å; S361-E365 WeakPolarHBondContact O-CB 3.21Å; S361-E365 PolarHBondContact O-N 3.14Å
362H93.2Very high94.5Very high100 Ų100106.2 Ų106.246%0.46351%0.51SS..Hα-helixtrans-65.3-34.2176.9-173.9-63.6000112.2R358 K359 E360 R366R358-H362 VanDerWaalsContact O-CB 3.29Å; R358-H362 WeakPolarHBondContact O-CB 3.14Å; R358-H362 PolarHBondContact O-N 3.48Å; K359-H362 PolarHBondContact O-N 2.96Å; E360-H362 VanDerWaalsContact C-N 3.35Å; E360-H362 PolarHBondContact O-N 2.94Å; H362-R366 WeakPolarHBondContact O-CB 3.48Å; H362-R366 PolarHBondContact O-N 3.35Å
363M92.3Very high94.5Very high112 Ų112105.7 Ų105.755%0.55251%0.505SS*.Hα-helixtrans-68.3-41.5176.3-167.4177.678.100111K359 E360 S361 R366 N367K359-M363 WeakPolarHBondContact O-CB 3.34Å; K359-M363 PolarHBondContact O-N 3.37Å; E360-M363 PolarHBondContact O-N 3.25Å; E360-M363 VanDerWaalsContact O-N 3.16Å; S361-M363 VanDerWaalsContact C-N 3.31Å; S361-M363 PolarHBondContact O-N 2.76Å; M363-R366 PolarHBondContact O-N 2.92Å; M363-N367 WeakPolarHBondContact O-CB 3.48Å; M363-N367 PolarHBondContact O-N 3.26Å; M363-N367 PolarHBondContact O-ND2 3.46Å; M363-N367 PolarHBondContact O-OD1 3.35Å
364V92.9Very high94.6Very high90 Ų90106.4 Ų106.455%0.54551%0.51SS..Hα-helixtrans-62.4-46.5174.6173.60000111E360 S361 N367 L368E360-V364 WeakPolarHBondContact O-CG2 3.35Å; E360-V364 PolarHBondContact O-N 2.87Å; S361-V364 PolarHBondContact O-N 2.91Å; V364-N367 PolarHBondContact O-N 2.96Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 3.47Å
365E93.5Very high94.6Very high129 Ų129110.1 Ų110.160%0.60352%0.519SS*.Hα-helixtrans-62-44.7177.2-173.2174.4-165.300111.6S361 N367 L368 V369S361-E365 WeakPolarHBondContact O-CB 3.21Å; S361-E365 PolarHBondContact O-N 3.14Å; E365-N367 PolarHBondContact O-N 3.25Å; E365-L368 PolarHBondContact O-N 2.82Å; E365-V369 WeakPolarHBondContact O-CG2 3.34Å; E365-V369 PolarHBondContact O-N 3.45Å
366R94.2Very high94.7Very high148 Ų148110.3 Ų110.356%0.55852%0.523SS*.Hα-helixtrans-59.8-46.9175.7-176.6-177.6-173.1149.49.5112.1H362 M363 L368 V369 E370H362-R366 WeakPolarHBondContact O-CB 3.48Å; H362-R366 PolarHBondContact O-N 3.35Å; M363-R366 PolarHBondContact O-N 2.92Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.44Å; R366-V369 PolarHBondContact O-N 2.91Å; R366-E370 WeakPolarHBondContact CG-OE1 3.33Å; R366-E370 IonicContact CZ-OE1 3.76Å; R366-E370 IonicContact NE-OE1 3.49Å; R366-E370 PolarHBondContact NE-OE1 2.92Å; R366-E370 IonicContact NH2-OE1 3.5Å; R366-E370 WeakPolarHBondContact O-CG 3.33Å; R366-E370 PolarHBondContact O-N 3.36Å
367N93.2Very high94.9Very high74 Ų74105.8 Ų105.840%0.39651%0.507SS..Hα-helixtrans-61.7-40.7178.3-68.4-13000111M363 V364 E365 E370 D371M363-N367 WeakPolarHBondContact O-CB 3.48Å; M363-N367 PolarHBondContact O-N 3.26Å; M363-N367 PolarHBondContact O-ND2 3.46Å; M363-N367 PolarHBondContact O-OD1 3.35Å; V364-N367 PolarHBondContact O-N 2.96Å; E365-N367 PolarHBondContact O-N 3.25Å; N367-E370 PolarHBondContact O-N 3.48Å; N367-D371 WeakPolarHBondContact O-CB 3.46Å; N367-D371 PolarHBondContact O-N 3.42Å
368L95.1Very high95Very high100 Ų100102.5 Ų102.552%0.52450%0.504SS..Hα-helixtrans-63.1-42.4175.5179.863.5000111.8V364 E365 R366 D371 L372V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 3.47Å; E365-L368 PolarHBondContact O-N 2.82Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.44Å; L368-D371 PolarHBondContact O-N 3.46Å; L368-L372 HydrophobicContact CD1-CD1 4.4Å; L368-L372 HydrophobicContact CD1-CG 4.38Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 WeakPolarHBondContact O-CB 3.12Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.27Å; L368-L372 PolarHBondContact O-N 3.31Å
369V95.4Very high95.1Very high83 Ų8398.1 Ų98.150%0.50350%0.498SS..Hα-helixtrans-63.7-44176.1170.80000111E365 R366 L372 Q373E365-V369 WeakPolarHBondContact O-CG2 3.34Å; E365-V369 PolarHBondContact O-N 3.45Å; R366-V369 PolarHBondContact O-N 2.91Å; V369-L372 PolarHBondContact O-N 2.84Å; V369-Q373 WeakPolarHBondContact O-CB 3.37Å; V369-Q373 PolarHBondContact O-N 3.17Å
370E95.8Very high95.3Very high87 Ų8798.1 Ų98.141%0.40750%0.499SS..Hα-helixtrans-62.4-43.1176.7-74175.6-165.700111.5R366 N367 Q373 Q374R366-E370 WeakPolarHBondContact CG-OE1 3.33Å; R366-E370 IonicContact CZ-OE1 3.76Å; R366-E370 IonicContact NE-OE1 3.49Å; R366-E370 PolarHBondContact NE-OE1 2.92Å; R366-E370 IonicContact NH2-OE1 3.5Å; R366-E370 WeakPolarHBondContact O-CG 3.33Å; R366-E370 PolarHBondContact O-N 3.36Å; N367-E370 PolarHBondContact O-N 3.48Å; E370-Q373 PolarHBondContact O-N 2.82Å; E370-Q374 WeakPolarHBondContact O-CG 3.13Å; E370-Q374 PolarHBondContact O-N 3.02Å
371D96.3Very high95.5Very high84 Ų8498.6 Ų98.645%0.44950%0.502SS..Hα-helixtrans-63-43.4175.1-82.4-1.7000112.3N367 L368 Q374 R375N367-D371 WeakPolarHBondContact O-CB 3.46Å; N367-D371 PolarHBondContact O-N 3.42Å; L368-D371 PolarHBondContact O-N 3.46Å; D371-Q374 PolarHBondContact O-N 3.3Å; D371-R375 WeakPolarHBondContact O-CG 3.42Å; D371-R375 PolarHBondContact O-N 2.91Å
372L96.6Very high95.8Very high98 Ų9897.5 Ų97.551%0.51350%0.497SS..Hα-helixtrans-65.2-40.4176.8-74.2174.7000111.4L368 V369 R375 L376L368-L372 HydrophobicContact CD1-CD1 4.4Å; L368-L372 HydrophobicContact CD1-CG 4.38Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 WeakPolarHBondContact O-CB 3.12Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.27Å; L368-L372 PolarHBondContact O-N 3.31Å; V369-L372 PolarHBondContact O-N 2.84Å; L372-R375 PolarHBondContact O-N 3.26Å; L372-L376 WeakPolarHBondContact O-CB 3.37Å; L372-L376 PolarHBondContact O-N 2.88Å
373Q97.3Very high96.1Very high106 Ų10698.3 Ų98.350%0.49550%0.504SS..Hα-helixtrans-62.7-44.5176.3-171.365.136.300111.1V369 E370 R375 L376 T377V369-Q373 WeakPolarHBondContact O-CB 3.37Å; V369-Q373 PolarHBondContact O-N 3.17Å; E370-Q373 PolarHBondContact O-N 2.82Å; Q373-R375 VanDerWaalsContact C-N 3.35Å; Q373-R375 PolarHBondContact O-N 2.76Å; Q373-L376 PolarHBondContact O-N 3.47Å; Q373-T377 PolarHBondContact O-N 2.73Å; Q373-T377 PolarHBondContact O-OG1 3.39Å; Q373-T377 VanDerWaalsContact O-OG1 3.14Å
374Q97.2Very high96.3Very high131 Ų13195.4 Ų95.461%0.61250%0.498SS*.Hα-helixtrans-60.9-42.9175.9-72.7174.820.100112E370 D371 L376 T377 A378E370-Q374 WeakPolarHBondContact O-CG 3.13Å; E370-Q374 PolarHBondContact O-N 3.02Å; D371-Q374 PolarHBondContact O-N 3.3Å; Q374-L376 VanDerWaalsContact C-N 3.35Å; Q374-T377 PolarHBondContact O-N 3.09Å; Q374-A378 WeakPolarHBondContact O-CB 3.41Å; Q374-A378 PolarHBondContact O-N 3Å
375R97Very high96.6Very high180 Ų18095.8 Ų95.868%0.67950%0.5SS*.Hα-helixtrans-64.6-39.3176.1-73.1-179.4-173.1-174.14.6112.3D371 L372 Q373 A379D371-R375 WeakPolarHBondContact O-CG 3.42Å; D371-R375 PolarHBondContact O-N 2.91Å; L372-R375 PolarHBondContact O-N 3.26Å; Q373-R375 VanDerWaalsContact C-N 3.35Å; Q373-R375 PolarHBondContact O-N 2.76Å; R375-A379 WeakPolarHBondContact O-CB 3.45Å; R375-A379 PolarHBondContact O-N 3.41Å
376L97.4Very high96.8Very high84 Ų8496.3 Ų96.344%0.4450%0.501SS..Hα-helixtrans-62.8-50.7176.7-179.662.7000110.5L372 Q373 Q374 A378 A379 E380L372-L376 WeakPolarHBondContact O-CB 3.37Å; L372-L376 PolarHBondContact O-N 2.88Å; Q373-L376 PolarHBondContact O-N 3.47Å; Q374-L376 VanDerWaalsContact C-N 3.35Å; L376-A378 PolarHBondContact O-N 3.25Å; L376-A379 WeakPolarHBondContact O-CB 3.39Å; L376-A379 PolarHBondContact O-N 3.48Å; L376-A379 VanDerWaalsContact O-N 3.09Å; L376-E380 HydrophobicContact CD1-CG 4.45Å; L376-E380 WeakPolarHBondContact O-CG 3.4Å; L376-E380 PolarHBondContact O-N 3.04Å
377T97.3Very high97Very high52 Ų5293.4 Ų93.432%0.31949%0.493SS..Hα-helixtrans-60.8-42.8178.9-58.10000112Q373 Q374 A379 E380 E381Q373-T377 PolarHBondContact O-N 2.73Å; Q373-T377 PolarHBondContact O-OG1 3.39Å; Q373-T377 VanDerWaalsContact O-OG1 3.14Å; Q374-T377 PolarHBondContact O-N 3.09Å; T377-A379 VanDerWaalsContact C-N 3.3Å; T377-A379 PolarHBondContact O-N 2.89Å; T377-E380 PolarHBondContact O-N 2.93Å; T377-E381 WeakPolarHBondContact O-CG 2.92Å; T377-E381 PolarHBondContact O-N 2.94Å
378A97.8Very high97.2Very high56 Ų5694.7 Ų94.746%0.46350%0.5SS..Hα-helixtrans-62.8-36.7175.300000112.6Q374 L376 A382Q374-A378 WeakPolarHBondContact O-CB 3.41Å; Q374-A378 PolarHBondContact O-N 3Å; L376-A378 PolarHBondContact O-N 3.25Å; A378-A382 WeakPolarHBondContact O-CB 3.43Å; A378-A382 PolarHBondContact O-N 3.14Å
379A97.1Very high97.3Very high50 Ų5095.4 Ų95.441%0.41350%0.499SS..Hα-helixtrans-68.9-40.5175.400000111.9R375 L376 T377 A382 L383R375-A379 WeakPolarHBondContact O-CB 3.45Å; R375-A379 PolarHBondContact O-N 3.41Å; L376-A379 WeakPolarHBondContact O-CB 3.39Å; L376-A379 PolarHBondContact O-N 3.48Å; L376-A379 VanDerWaalsContact O-N 3.09Å; T377-A379 VanDerWaalsContact C-N 3.3Å; T377-A379 PolarHBondContact O-N 2.89Å; A379-A382 PolarHBondContact O-N 3.33Å; A379-L383 WeakPolarHBondContact O-CB 3.4Å; A379-L383 VanDerWaalsContact O-CG 3.31Å; A379-L383 WeakPolarHBondContact O-CG 3.31Å; A379-L383 PolarHBondContact O-N 2.98Å
380E97.5Very high97.5Very high105 Ų10595.1 Ų95.149%0.49149%0.494SS..Hα-helixtrans-62.2-46175.3-72171.2161.700111.6L376 T377 L383 A384L376-E380 HydrophobicContact CD1-CG 4.45Å; L376-E380 WeakPolarHBondContact O-CG 3.4Å; L376-E380 PolarHBondContact O-N 3.04Å; T377-E380 PolarHBondContact O-N 2.93Å; E380-L383 PolarHBondContact O-N 2.98Å; E380-A384 PolarHBondContact O-N 3.43Å
381E97.7Very high97.6Very high128 Ų12894.1 Ų94.160%0.59849%0.491SS*.Hα-helixtrans-61.3-45175-72.4176.2177.400111.8T377 L383 A384 V385T377-E381 WeakPolarHBondContact O-CG 2.92Å; T377-E381 PolarHBondContact O-N 2.94Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 3.13Å; E381-A384 PolarHBondContact O-N 3.25Å; E381-V385 WeakPolarHBondContact O-CG2 3.45Å; E381-V385 PolarHBondContact O-N 2.84Å
382A97.8Very high97.7Very high50 Ų5094.5 Ų94.541%0.41349%0.493SS..Hα-helixtrans-63.2-36.3177.100000112.4A378 A379 K386A378-A382 WeakPolarHBondContact O-CB 3.43Å; A378-A382 PolarHBondContact O-N 3.14Å; A379-A382 PolarHBondContact O-N 3.33Å; A382-K386 WeakPolarHBondContact O-CG 3.38Å; A382-K386 PolarHBondContact O-N 3.47Å
383L97.9Very high97.7Very high117 Ų11794.6 Ų94.661%0.61349%0.493SS*.Hα-helixtrans-66.7-43.2173.4-76.5172.5000111.5A379 E380 E381 V385 K386 Q387A379-L383 WeakPolarHBondContact O-CB 3.4Å; A379-L383 VanDerWaalsContact O-CG 3.31Å; A379-L383 WeakPolarHBondContact O-CG 3.31Å; A379-L383 PolarHBondContact O-N 2.98Å; E380-L383 PolarHBondContact O-N 2.98Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 3.13Å; L383-V385 PolarHBondContact O-N 3.35Å; L383-K386 PolarHBondContact O-N 3.48Å; L383-Q387 WeakPolarHBondContact O-CB 3.34Å; L383-Q387 PolarHBondContact O-N 2.92Å
384A98.1Very high97.8Very high51 Ų5195.4 Ų95.442%0.42149%0.494SS..Hα-helixtrans-61.1-42.9175.900000112E380 E381 K386 Q387 N388E380-A384 PolarHBondContact O-N 3.43Å; E381-A384 PolarHBondContact O-N 3.25Å; A384-K386 PolarHBondContact O-N 3.26Å; A384-Q387 PolarHBondContact O-N 3.4Å; A384-N388 PolarHBondContact O-N 3.05Å
385V98.3Very high97.8Very high99 Ų9995.9 Ų95.960%0.650%0.497SS*.Hα-helixtrans-61.6-44.8175.1171.60000111.4E381 L383 Q387 N388 K389E381-V385 WeakPolarHBondContact O-CG2 3.45Å; E381-V385 PolarHBondContact O-N 2.84Å; L383-V385 PolarHBondContact O-N 3.35Å; V385-Q387 VanDerWaalsContact C-N 3.32Å; V385-Q387 PolarHBondContact O-N 2.91Å; V385-N388 PolarHBondContact O-N 3.03Å; V385-K389 PolarHBondContact O-N 3.21Å
386K97.9Very high97.8Very high139 Ų13992.9 Ų92.960%0.60449%0.49SS*.Hα-helixtrans-62.9-40175.7-75.9179179.9-1790111.8A382 L383 A384 K389 I390A382-K386 WeakPolarHBondContact O-CG 3.38Å; A382-K386 PolarHBondContact O-N 3.47Å; L383-K386 PolarHBondContact O-N 3.48Å; A384-K386 PolarHBondContact O-N 3.26Å; K386-K389 PolarHBondContact O-N 3.4Å; K386-I390 VanDerWaalsContact O-CG1 3.29Å; K386-I390 WeakPolarHBondContact O-CG1 3.37Å; K386-I390 PolarHBondContact O-N 3.03Å
387Q98Very high97.8Very high87 Ų8794.2 Ų94.241%0.40750%0.496SS..Hα-helixtrans-62.9-47.5177.8-174.555.251.200111.3L383 A384 V385 K389 I390 D391L383-Q387 WeakPolarHBondContact O-CB 3.34Å; L383-Q387 PolarHBondContact O-N 2.92Å; A384-Q387 PolarHBondContact O-N 3.4Å; V385-Q387 VanDerWaalsContact C-N 3.32Å; V385-Q387 PolarHBondContact O-N 2.91Å; Q387-K389 VanDerWaalsContact C-N 3.3Å; Q387-K389 PolarHBondContact O-N 3.44Å; Q387-I390 WeakPolarHBondContact O-CB 3.47Å; Q387-I390 PolarHBondContact O-N 2.93Å; Q387-I390 VanDerWaalsContact O-N 3.13Å; Q387-D391 PolarHBondContact NE2-OD1 2.96Å; Q387-D391 VanDerWaalsContact NE2-OD1 3.14Å; Q387-D391 PolarHBondContact NE2-OD2 3.46Å; Q387-D391 PolarHBondContact O-N 3.5Å
388N97.8Very high97.8Very high101 Ų10198.3 Ų98.354%0.5451%0.509SS..Hα-helixtrans-57.4-43.7174.6-69.4-17.3000111.5A384 V385 I390 D391 D392A384-N388 PolarHBondContact O-N 3.05Å; V385-N388 PolarHBondContact O-N 3.03Å; N388-I390 VanDerWaalsContact C-N 3.33Å; N388-I390 PolarHBondContact O-N 3.16Å; N388-D391 PolarHBondContact O-N 2.95Å; N388-D391 VanDerWaalsContact O-N 3.16Å; N388-D392 PolarHBondContact O-N 2.93Å
389K98.2Very high97.8Very high115 Ų11599.9 Ų99.950%0.551%0.507SS..Hα-helixtrans-64.5-37.5178.2-175.856.2-180169.70112.7V385 K386 Q387 D391 M393V385-K389 PolarHBondContact O-N 3.21Å; K386-K389 PolarHBondContact O-N 3.4Å; Q387-K389 VanDerWaalsContact C-N 3.3Å; Q387-K389 PolarHBondContact O-N 3.44Å; K389-D391 VanDerWaalsContact C-N 3.31Å; K389-M393 HydrophobicContact CD-CG 4.43Å; K389-M393 HydrophobicContact CG-SD 4.3Å; K389-M393 WeakPolarHBondContact O-CB 3.32Å; K389-M393 VanDerWaalsContact O-CG 3.25Å; K389-M393 WeakPolarHBondContact O-CG 3.29Å; K389-M393 PolarHBondContact O-N 3.27Å
390I97.7Very high97.8Very high77 Ų77102.2 Ų102.240%0.39551%0.508SS..Hα-helixtrans-62.5-43.1174.5-72.8164.7000110K386 Q387 N388 M393 K394K386-I390 VanDerWaalsContact O-CG1 3.29Å; K386-I390 WeakPolarHBondContact O-CG1 3.37Å; K386-I390 PolarHBondContact O-N 3.03Å; Q387-I390 WeakPolarHBondContact O-CB 3.47Å; Q387-I390 PolarHBondContact O-N 2.93Å; Q387-I390 VanDerWaalsContact O-N 3.13Å; N388-I390 VanDerWaalsContact C-N 3.33Å; N388-I390 PolarHBondContact O-N 3.16Å; I390-M393 PolarHBondContact O-N 3.25Å; I390-K394 HydrophobicContact CG2-CD 4.19Å; I390-K394 VanDerWaalsContact CG2-CE 3.49Å; I390-K394 HydrophobicContact CG2-CG 4.46Å; I390-K394 WeakPolarHBondContact O-CG 3.25Å; I390-K394 PolarHBondContact O-N 2.87Å
391D98.1Very high97.8Very high66 Ų66101.9 Ų101.935%0.35351%0.506SS..Hα-helixtrans-70.5-38.6-178.1-64-30.6000111.9Q387 N388 K389 M393 K394 Q395Q387-D391 PolarHBondContact NE2-OD1 2.96Å; Q387-D391 VanDerWaalsContact NE2-OD1 3.14Å; Q387-D391 PolarHBondContact NE2-OD2 3.46Å; Q387-D391 PolarHBondContact O-N 3.5Å; N388-D391 PolarHBondContact O-N 2.95Å; N388-D391 VanDerWaalsContact O-N 3.16Å; K389-D391 VanDerWaalsContact C-N 3.31Å; D391-M393 VanDerWaalsContact C-N 3.35Å; D391-M393 PolarHBondContact O-N 3.42Å; D391-K394 PolarHBondContact O-N 3.16Å; D391-K394 IonicContact OD1-NZ 2.69Å; D391-K394 PolarHBondContact OD1-NZ 3.3Å; D391-K394 VanDerWaalsContact OD1-NZ 3.16Å; D391-Q395 PolarHBondContact O-N 3.01Å
392D98.1Very high97.7Very high92 Ų92101.4 Ų101.449%0.49250%0.502SS..Hα-helixtrans-57.4-47.7169.3-69.6-18.3000111.3N388 K394 Q395 E396N388-D392 PolarHBondContact O-N 2.93Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.33Å; D392-Q395 PolarHBondContact O-N 2.93Å; D392-E396 PolarHBondContact O-N 3.46Å
393M98Very high97.6Very high101 Ų101102.5 Ų102.550%0.49850%0.499SS..Hα-helixtrans-64-38.7178.9-75.1178.164.200111.9K389 I390 D391 E396 M397K389-M393 HydrophobicContact CD-CG 4.43Å; K389-M393 HydrophobicContact CG-SD 4.3Å; K389-M393 WeakPolarHBondContact O-CB 3.32Å; K389-M393 VanDerWaalsContact O-CG 3.25Å; K389-M393 WeakPolarHBondContact O-CG 3.29Å; K389-M393 PolarHBondContact O-N 3.27Å; I390-M393 PolarHBondContact O-N 3.25Å; D391-M393 VanDerWaalsContact C-N 3.35Å; D391-M393 PolarHBondContact O-N 3.42Å; M393-E396 PolarHBondContact O-N 3Å; M393-M397 WeakPolarHBondContact O-CB 2.91Å; M393-M397 VanDerWaalsContact O-CG 3.22Å; M393-M397 WeakPolarHBondContact O-CG 3.22Å; M393-M397 PolarHBondContact O-N 2.99Å
394K98.1Very high97.6Very high122 Ų122102.3 Ų102.353%0.5350%0.498SS..Hα-helixtrans-63.6-41.5174.6-75.4172.2-173.9161.30111.6I390 D391 D392 M397 F398I390-K394 HydrophobicContact CG2-CD 4.19Å; I390-K394 VanDerWaalsContact CG2-CE 3.49Å; I390-K394 HydrophobicContact CG2-CG 4.46Å; I390-K394 WeakPolarHBondContact O-CG 3.25Å; I390-K394 PolarHBondContact O-N 2.87Å; D391-K394 PolarHBondContact O-N 3.16Å; D391-K394 IonicContact OD1-NZ 2.69Å; D391-K394 PolarHBondContact OD1-NZ 3.3Å; D391-K394 VanDerWaalsContact OD1-NZ 3.16Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.33Å; K394-M397 PolarHBondContact O-N 3.41Å; K394-F398 WeakPolarHBondContact O-CB 3.37Å; K394-F398 PolarHBondContact O-N 2.95Å
395Q97.9Very high97.4Very high141 Ų141106 Ų10666%0.65951%0.507SS*.Hα-helixtrans-64-43.6176.8-175.1179.82.200111.4D391 D392 F398 Q399D391-Q395 PolarHBondContact O-N 3.01Å; D392-Q395 PolarHBondContact O-N 2.93Å; Q395-F398 PolarHBondContact O-N 3.34Å; Q395-Q399 PolarHBondContact O-N 3.41Å
396E98Very high97.3Very high118 Ų118104.5 Ų104.555%0.55150%0.497SS*.Hα-helixtrans-61.7-45.9175.4-173.3179179.500111.4D392 M393 F398 Q399 K400D392-E396 PolarHBondContact O-N 3.46Å; M393-E396 PolarHBondContact O-N 3Å; E396-F398 PolarHBondContact O-N 3.24Å; E396-Q399 PolarHBondContact O-N 3.37Å; E396-K400 HydrophobicContact CG-CG 4.45Å; E396-K400 WeakPolarHBondContact O-CB 3.42Å; E396-K400 VanDerWaalsContact O-CG 3.27Å; E396-K400 WeakPolarHBondContact O-CG 3.3Å; E396-K400 PolarHBondContact O-N 3.39Å
397M97.1Very high97.3Very high112 Ų112102.8 Ų102.855%0.55249%0.494SS*.Hα-helixtrans-56.9-47.7175.9-77.9-63.4-53.600111.7M393 K394 Q399 K400 E401M393-M397 WeakPolarHBondContact O-CB 2.91Å; M393-M397 VanDerWaalsContact O-CG 3.22Å; M393-M397 WeakPolarHBondContact O-CG 3.22Å; M393-M397 PolarHBondContact O-N 2.99Å; K394-M397 PolarHBondContact O-N 3.41Å; M397-Q399 VanDerWaalsContact C-N 3.34Å; M397-Q399 PolarHBondContact O-N 2.64Å; M397-K400 PolarHBondContact O-N 3Å; M397-E401 WeakPolarHBondContact O-CG 3.34Å; M397-E401 PolarHBondContact O-N 2.78Å
398F97.6Very high97.2Very high138 Ų138101.9 Ų101.961%0.60550%0.497SS*.Hα-helixtrans-61.8-41177.8-178.8-100.7000112.6K394 Q395 E396 K400 E401 K402K394-F398 WeakPolarHBondContact O-CB 3.37Å; K394-F398 PolarHBondContact O-N 2.95Å; Q395-F398 PolarHBondContact O-N 3.34Å; E396-F398 PolarHBondContact O-N 3.24Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-E401 PolarHBondContact O-N 3.12Å; F398-K402 PolarHBondContact O-N 3.42Å; F398-K402 VanDerWaalsContact O-N 3.12Å
399Q97.4Very high97.1Very high89 Ų89101.5 Ų101.542%0.41650%0.498SS..Hα-helixtrans-64.8-40.9176.4-179.456.738.100111.4Q395 E396 M397 K402 E403Q395-Q399 PolarHBondContact O-N 3.41Å; E396-Q399 PolarHBondContact O-N 3.37Å; M397-Q399 VanDerWaalsContact C-N 3.34Å; M397-Q399 PolarHBondContact O-N 2.64Å; Q399-K402 PolarHBondContact O-N 3.17Å; Q399-E403 PolarHBondContact NE2-OE1 3.44Å; Q399-E403 WeakPolarHBondContact O-CG 3.45Å; Q399-E403 PolarHBondContact O-N 3.38Å
400K96.4Very high97.1Very high98 Ų98102 Ų10243%0.42650%0.501SS..Hα-helixtrans-66.6-37.5176-68.5-72.1160.9-153.50112.3E396 M397 F398 E403 L404E396-K400 HydrophobicContact CG-CG 4.45Å; E396-K400 WeakPolarHBondContact O-CB 3.42Å; E396-K400 VanDerWaalsContact O-CG 3.27Å; E396-K400 WeakPolarHBondContact O-CG 3.3Å; E396-K400 PolarHBondContact O-N 3.39Å; M397-K400 PolarHBondContact O-N 3Å; F398-K400 VanDerWaalsContact C-N 3.35Å; K400-E403 IonicContact NZ-OE1 3.94Å; K400-E403 IonicContact NZ-OE2 2.76Å; K400-E403 PolarHBondContact NZ-OE2 3.23Å; K400-E403 PolarHBondContact O-N 3.07Å; K400-L404 WeakPolarHBondContact O-CG 3.3Å; K400-L404 PolarHBondContact O-N 2.88Å
401E96.9Very high97.1Very high98 Ų98103.9 Ų103.946%0.45851%0.508SS..Hα-helixtrans-59.3-46.1173.2-75.7169.7173.600111.2M397 F398 E403 L404 E405M397-E401 WeakPolarHBondContact O-CG 3.34Å; M397-E401 PolarHBondContact O-N 2.78Å; F398-E401 PolarHBondContact O-N 3.12Å; E401-E403 VanDerWaalsContact C-N 3.35Å; E401-E403 PolarHBondContact O-N 2.86Å; E401-L404 WeakPolarHBondContact O-CB 3.49Å; E401-L404 PolarHBondContact O-N 3.21Å; E401-E405 WeakPolarHBondContact O-CG 3.3Å; E401-E405 PolarHBondContact O-N 3.11Å
402K96.4Very high97Very high118 Ų118103.1 Ų103.151%0.51351%0.51SS..Hα-helixtrans-62.1-39.5175.4-175.3-178.3177.4-177.20113.2F398 Q399 E405 T406F398-K402 PolarHBondContact O-N 3.42Å; F398-K402 VanDerWaalsContact O-N 3.12Å; Q399-K402 PolarHBondContact O-N 3.17Å; K402-E405 PolarHBondContact O-N 3.37Å; K402-T406 PolarHBondContact O-N 3.44Å; K402-T406 PolarHBondContact O-OG1 3.3Å
403E96.5Very high97Very high74 Ų74102.5 Ų102.535%0.34651%0.505SS..Hα-helixtrans-63.9-42.4174.6-74.1167.9-162.700111.2Q399 K400 E401 T406 I407Q399-E403 PolarHBondContact NE2-OE1 3.44Å; Q399-E403 WeakPolarHBondContact O-CG 3.45Å; Q399-E403 PolarHBondContact O-N 3.38Å; K400-E403 IonicContact NZ-OE1 3.94Å; K400-E403 IonicContact NZ-OE2 2.76Å; K400-E403 PolarHBondContact NZ-OE2 3.23Å; K400-E403 PolarHBondContact O-N 3.07Å; E401-E403 VanDerWaalsContact C-N 3.35Å; E401-E403 PolarHBondContact O-N 2.86Å; E403-T406 WeakPolarHBondContact O-CB 3.47Å; E403-T406 PolarHBondContact O-N 3.38Å; E403-I407 WeakPolarHBondContact O-CG1 3.27Å; E403-I407 PolarHBondContact O-N 2.9Å
404L96.3Very high97Very high112 Ų112100.4 Ų100.459%0.58650%0.504SS*.Hα-helixtrans-62.9-41.6176.3-74.9171.5000112.4K400 E401 T406 I407 S408K400-L404 WeakPolarHBondContact O-CG 3.3Å; K400-L404 PolarHBondContact O-N 2.88Å; E401-L404 WeakPolarHBondContact O-CB 3.49Å; E401-L404 PolarHBondContact O-N 3.21Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 3.15Å; L404-I407 PolarHBondContact O-N 3.24Å; L404-S408 PolarHBondContact O-N 2.97Å
405E95.8Very high96.9Very high130 Ų13099.9 Ų99.961%0.60750%0.503SS*.Hα-helixtrans-56.8-43.8172.9-72.5176.2179.600111E401 K402 I407 S408 V409E401-E405 WeakPolarHBondContact O-CG 3.3Å; E401-E405 PolarHBondContact O-N 3.11Å; K402-E405 PolarHBondContact O-N 3.37Å; E405-I407 PolarHBondContact O-N 3.34Å; E405-S408 PolarHBondContact O-N 3.43Å; E405-S408 PolarHBondContact O-OG 3.33Å; E405-V409 WeakPolarHBondContact O-CG2 3.3Å; E405-V409 PolarHBondContact O-N 3.11Å
406T96.4Very high96.9Very high66 Ų6697 Ų9741%0.40550%0.495SS..Hα-helixtrans-64.3-42.5178.6-53.20000111.9K402 E403 L404 S408 V409 F410K402-T406 PolarHBondContact O-N 3.44Å; K402-T406 PolarHBondContact O-OG1 3.3Å; E403-T406 WeakPolarHBondContact O-CB 3.47Å; E403-T406 PolarHBondContact O-N 3.38Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 3.15Å; T406-S408 VanDerWaalsContact C-N 3.31Å; T406-S408 PolarHBondContact O-N 3.08Å; T406-V409 PolarHBondContact O-N 3.49Å; T406-F410 HydrophobicContact CG2-CD2 3.98Å; T406-F410 HydrophobicContact CG2-CE2 3.52Å; T406-F410 HydrophobicContact CG2-CZ 4.2Å; T406-F410 WeakPolarHBondContact O-CD2 3.01Å; T406-F410 PolarHBondContact O-N 2.83Å; T406-F410 VanDerWaalsContact O-N 3.08Å
407I96.3Very high96.9Very high103 Ų10398.2 Ų98.253%0.52850%0.496SS..Hα-helixtrans-61.4-42.1176-67.7165.8000110.6E403 L404 E405 V409 F410 Q411E403-I407 WeakPolarHBondContact O-CG1 3.27Å; E403-I407 PolarHBondContact O-N 2.9Å; L404-I407 PolarHBondContact O-N 3.24Å; E405-I407 PolarHBondContact O-N 3.34Å; I407-V409 VanDerWaalsContact C-N 3.28Å; I407-V409 PolarHBondContact O-N 3.18Å; I407-F410 PolarHBondContact O-N 3.49Å; I407-Q411 WeakPolarHBondContact O-CB 3.5Å; I407-Q411 PolarHBondContact O-N 3.19Å
408S95.5Very high97Very high68 Ų6895.6 Ų95.648%0.47649%0.488SS..Hα-helixtrans-60.7-37.6178.577.30000112.4L404 E405 T406 Q411 A412L404-S408 PolarHBondContact O-N 2.97Å; E405-S408 PolarHBondContact O-N 3.43Å; E405-S408 PolarHBondContact O-OG 3.33Å; T406-S408 VanDerWaalsContact C-N 3.31Å; T406-S408 PolarHBondContact O-N 3.08Å; S408-Q411 PolarHBondContact O-N 2.64Å; S408-A412 PolarHBondContact O-N 3.25Å
409V97.1Very high97Very high93 Ų9392.5 Ų92.556%0.56448%0.483SS*.Hα-helixtrans-67.1-46.3175.1174.30000111.1E405 T406 I407 Q411 A412 Q413E405-V409 WeakPolarHBondContact O-CG2 3.3Å; E405-V409 PolarHBondContact O-N 3.11Å; T406-V409 PolarHBondContact O-N 3.49Å; I407-V409 VanDerWaalsContact C-N 3.28Å; I407-V409 PolarHBondContact O-N 3.18Å; V409-Q411 VanDerWaalsContact C-N 3.3Å; V409-Q411 PolarHBondContact O-N 3.42Å; V409-A412 PolarHBondContact O-N 3.08Å; V409-Q413 WeakPolarHBondContact O-CB 3.38Å; V409-Q413 PolarHBondContact O-N 2.95Å
410F97.4Very high97Very high126 Ų12692.5 Ų92.555%0.55349%0.487SS*.Hα-helixtrans-63.8-36.1177.4-72.4-45.3000112.7T406 I407 Q413 A414T406-F410 HydrophobicContact CG2-CD2 3.98Å; T406-F410 HydrophobicContact CG2-CE2 3.52Å; T406-F410 HydrophobicContact CG2-CZ 4.2Å; T406-F410 WeakPolarHBondContact O-CD2 3.01Å; T406-F410 PolarHBondContact O-N 2.83Å; T406-F410 VanDerWaalsContact O-N 3.08Å; I407-F410 PolarHBondContact O-N 3.49Å; F410-Q413 PolarHBondContact O-N 3.18Å; F410-A414 WeakPolarHBondContact O-CB 3.21Å; F410-A414 PolarHBondContact O-N 2.98Å
411Q97.4Very high97.1Very high116 Ų11694.1 Ų94.154%0.54249%0.494SS..Hα-helixtrans-63-48.4174.4-174.7179.1-18.200111I407 S408 V409 Q413 A414 E415I407-Q411 WeakPolarHBondContact O-CB 3.5Å; I407-Q411 PolarHBondContact O-N 3.19Å; S408-Q411 PolarHBondContact O-N 2.64Å; V409-Q411 VanDerWaalsContact C-N 3.3Å; V409-Q411 PolarHBondContact O-N 3.42Å; Q411-Q413 VanDerWaalsContact C-N 3.3Å; Q411-Q413 PolarHBondContact O-N 2.9Å; Q411-A414 PolarHBondContact O-N 3.28Å; Q411-E415 PolarHBondContact NE2-OE1 2.99Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.76Å
412A96.9Very high97.1Very high50 Ų5096.9 Ų96.941%0.41350%0.501SS..Hα-helixtrans-60.2-40.2175.600000111.9S408 V409 E415 V416S408-A412 PolarHBondContact O-N 3.25Å; V409-A412 PolarHBondContact O-N 3.08Å; A412-E415 PolarHBondContact O-N 3.18Å; A412-V416 WeakPolarHBondContact O-CG2 3.5Å; A412-V416 PolarHBondContact O-N 2.87Å
413Q97.6Very high97.2Very high79 Ų7994 Ų9437%0.36950%0.5SS..Hα-helixtrans-61.7-44175.3-175.2179.11700111.9V409 F410 Q411 V416 Y417V409-Q413 WeakPolarHBondContact O-CB 3.38Å; V409-Q413 PolarHBondContact O-N 2.95Å; F410-Q413 PolarHBondContact O-N 3.18Å; Q411-Q413 VanDerWaalsContact C-N 3.3Å; Q411-Q413 PolarHBondContact O-N 2.9Å; Q413-V416 PolarHBondContact O-N 3.36Å; Q413-Y417 HydrophobicContact CG-CD2 3.94Å; Q413-Y417 HydrophobicContact CG-CE2 3.46Å; Q413-Y417 VanDerWaalsContact CG-CE2 3.46Å; Q413-Y417 PolarHBondContact NE2-OH 3.5Å; Q413-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q413-Y417 PolarHBondContact O-N 3.24Å
414A97.4Very high97.3Very high58 Ų5894.8 Ų94.848%0.47950%0.503SS..Hα-helixtrans-64.2-39.9177.300000112.1F410 Q411 Y417 S418F410-A414 WeakPolarHBondContact O-CB 3.21Å; F410-A414 PolarHBondContact O-N 2.98Å; Q411-A414 PolarHBondContact O-N 3.28Å; A414-Y417 PolarHBondContact O-N 3.21Å; A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.91Å; A414-S418 PolarHBondContact O-OG 2.58Å
415E97.6Very high97.3Very high111 Ų11196.1 Ų96.152%0.51950%0.5SS..Hα-helixtrans-61.6-47175.4-73.5173.3-165.400111.3Q411 A412 S418 S419Q411-E415 PolarHBondContact NE2-OE1 2.99Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.76Å; A412-E415 PolarHBondContact O-N 3.18Å; E415-S418 PolarHBondContact O-N 2.82Å; E415-S418 PolarHBondContact O-OG 3.03Å; E415-S419 WeakPolarHBondContact O-CB 3.41Å; E415-S419 PolarHBondContact O-N 3.27Å
416V97.8Very high97.4Very high80 Ų8092 Ų9249%0.48549%0.489SS..Hα-helixtrans-60-49.8176.1172.80000111.3A412 Q413 S418 S419 D420A412-V416 WeakPolarHBondContact O-CG2 3.5Å; A412-V416 PolarHBondContact O-N 2.87Å; Q413-V416 PolarHBondContact O-N 3.36Å; V416-S418 VanDerWaalsContact C-N 3.31Å; V416-S418 PolarHBondContact O-N 2.86Å; V416-S419 WeakPolarHBondContact O-CB 3.33Å; V416-S419 PolarHBondContact O-N 3.44Å; V416-D420 WeakPolarHBondContact O-CB 3.49Å; V416-D420 PolarHBondContact O-N 3.49Å
417Y98.1Very high97.5Very high144 Ų14491.4 Ų91.457%0.56549%0.49SS*.Hα-helixtrans-61.8-38.2178.1-70.6-30.3000113.1Q413 A414 F421Q413-Y417 HydrophobicContact CG-CD2 3.94Å; Q413-Y417 HydrophobicContact CG-CE2 3.46Å; Q413-Y417 VanDerWaalsContact CG-CE2 3.46Å; Q413-Y417 PolarHBondContact NE2-OH 3.5Å; Q413-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q413-Y417 PolarHBondContact O-N 3.24Å; A414-Y417 PolarHBondContact O-N 3.21Å; Y417-F421 VanDerWaalsContact O-CB 3.26Å; Y417-F421 WeakPolarHBondContact O-CB 3.2Å; Y417-F421 PolarHBondContact O-N 3.25Å
418S98Very high97.6Very high56 Ų5693.4 Ų93.439%0.39249%0.491SS..Hα-helixtrans-64.5-44175.9750000111.1A414 E415 V416 F421 Y422A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.91Å; A414-S418 PolarHBondContact O-OG 2.58Å; E415-S418 PolarHBondContact O-N 2.82Å; E415-S418 PolarHBondContact O-OG 3.03Å; V416-S418 VanDerWaalsContact C-N 3.31Å; V416-S418 PolarHBondContact O-N 2.86Å; S418-F421 PolarHBondContact O-N 3.38Å; S418-Y422 WeakPolarHBondContact O-CD2 3.41Å; S418-Y422 PolarHBondContact O-N 3.5Å
419S97.8Very high97.6Very high73 Ų7394.5 Ų94.551%0.5149%0.489SS..Hα-helixtrans-61.5-47.9176.21780000111.6E415 V416 F421 Y422 A423E415-S419 WeakPolarHBondContact O-CB 3.41Å; E415-S419 PolarHBondContact O-N 3.27Å; V416-S419 WeakPolarHBondContact O-CB 3.33Å; V416-S419 PolarHBondContact O-N 3.44Å; S419-F421 VanDerWaalsContact C-N 3.33Å; S419-F421 PolarHBondContact O-N 3.35Å; S419-Y422 PolarHBondContact O-N 3.27Å; S419-A423 WeakPolarHBondContact O-CB 3.38Å; S419-A423 PolarHBondContact O-N 3.05Å
420D97.7Very high97.6Very high90 Ų9096.5 Ų96.548%0.48149%0.49SS..Hα-helixtrans-61.7-41.6177.9-72.6-10.5000111.3V416 A423 E424V416-D420 WeakPolarHBondContact O-CB 3.49Å; V416-D420 PolarHBondContact O-N 3.49Å; D420-A423 PolarHBondContact O-N 2.95Å; D420-E424 VanDerWaalsContact O-CB 3.23Å; D420-E424 WeakPolarHBondContact O-CB 3.15Å; D420-E424 PolarHBondContact O-N 3.46Å
421F98.1Very high97.6Very high131 Ų13195.8 Ų95.858%0.57549%0.491SS*.Hα-helixtrans-61-45.2175.3178-95.9000112.1Y417 S418 S419 R425Y417-F421 VanDerWaalsContact O-CB 3.26Å; Y417-F421 WeakPolarHBondContact O-CB 3.2Å; Y417-F421 PolarHBondContact O-N 3.25Å; S418-F421 PolarHBondContact O-N 3.38Å; S419-F421 VanDerWaalsContact C-N 3.33Å; S419-F421 PolarHBondContact O-N 3.35Å; F421-R425 WeakPolarHBondContact O-CB 3.46Å; F421-R425 PolarHBondContact O-N 3.39Å
422Y98Very high97.6Very high157 Ų15795.3 Ų95.362%0.61649%0.489SS*.Hα-helixtrans-67-39.8176.7-73.2-61.2000112.3S418 S419 R425 A426S418-Y422 WeakPolarHBondContact O-CD2 3.41Å; S418-Y422 PolarHBondContact O-N 3.5Å; S419-Y422 PolarHBondContact O-N 3.27Å; Y422-R425 PolarHBondContact O-N 3.02Å; Y422-A426 WeakPolarHBondContact O-CB 3.07Å; Y422-A426 PolarHBondContact O-N 2.98Å
423A97.9Very high97.6Very high58 Ų5899 Ų9948%0.47950%0.497SS..Hα-helixtrans-63.3-45.9176.300000111.6S419 D420 A426 A427S419-A423 WeakPolarHBondContact O-CB 3.38Å; S419-A423 PolarHBondContact O-N 3.05Å; D420-A423 PolarHBondContact O-N 2.95Å; A423-A426 PolarHBondContact O-N 3.42Å; A423-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 PolarHBondContact O-N 2.88Å
424E97.8Very high97.5Very high90 Ų90100.7 Ų100.742%0.42151%0.505SS..Hα-helixtrans-63.3-42.6176.7179.265-164.800111.3D420 A427 R428D420-E424 VanDerWaalsContact O-CB 3.23Å; D420-E424 WeakPolarHBondContact O-CB 3.15Å; D420-E424 PolarHBondContact O-N 3.46Å; E424-A427 PolarHBondContact O-N 3.21Å; E424-R428 WeakPolarHBondContact O-CG 3.44Å; E424-R428 PolarHBondContact O-N 2.89Å; E424-R428 IonicContact OE1-CZ 2.97Å; E424-R428 IonicContact OE1-NE 3.6Å; E424-R428 IonicContact OE1-NH1 3.13Å; E424-R428 PolarHBondContact OE1-NH1 2.92Å; E424-R428 VanDerWaalsContact OE1-NH1 3.13Å; E424-R428 IonicContact OE1-NH2 2.92Å; E424-R428 PolarHBondContact OE1-NH2 3.35Å
425R97.9Very high97.5Very high140 Ų140104.4 Ų104.453%0.52851%0.51SS..Hα-helixtrans-60.5-48.6174.7-178.1178.3179.5125.44.4111.4F421 Y422 A427 R428 E429F421-R425 WeakPolarHBondContact O-CB 3.46Å; F421-R425 PolarHBondContact O-N 3.39Å; Y422-R425 PolarHBondContact O-N 3.02Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-A427 PolarHBondContact O-N 3.4Å; R425-R428 PolarHBondContact O-N 3.36Å; R425-E429 IonicContact CZ-OE1 3.59Å; R425-E429 IonicContact NE-OE1 2.86Å; R425-E429 PolarHBondContact NE-OE1 3Å; R425-E429 IonicContact NH2-OE1 3.43Å; R425-E429 PolarHBondContact NH2-OE1 3.47Å; R425-E429 WeakPolarHBondContact O-CG 3.21Å; R425-E429 PolarHBondContact O-N 3.26Å
426A97.6Very high97.4Very high44 Ų44105.7 Ų105.736%0.36452%0.517SS..Hα-helixtrans-62.5-37.2178.200000112Y422 A423 K430Y422-A426 WeakPolarHBondContact O-CB 3.07Å; Y422-A426 PolarHBondContact O-N 2.98Å; A423-A426 PolarHBondContact O-N 3.42Å; A426-K430 WeakPolarHBondContact O-CG 3.37Å; A426-K430 PolarHBondContact O-N 3.19Å
427A97.7Very high97.4Very high53 Ų53107.6 Ų107.644%0.43852%0.515SS..Hα-helixtrans-65.8-42.7174.400000111.9A423 E424 R425 K430 L431A423-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 PolarHBondContact O-N 2.88Å; E424-A427 PolarHBondContact O-N 3.21Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-A427 PolarHBondContact O-N 3.4Å; A427-K430 PolarHBondContact O-N 2.92Å; A427-L431 WeakPolarHBondContact O-CB 3.47Å; A427-L431 PolarHBondContact O-N 3.39Å
428R97.4Very high97.3Very high145 Ų145104.8 Ų104.855%0.54751%0.509SS..Hα-helixtrans-62.5-44.9173.9-78.4-167.9173.599.913112E424 R425 K430 L431 H432E424-R428 WeakPolarHBondContact O-CG 3.44Å; E424-R428 PolarHBondContact O-N 2.89Å; E424-R428 IonicContact OE1-CZ 2.97Å; E424-R428 IonicContact OE1-NE 3.6Å; E424-R428 IonicContact OE1-NH1 3.13Å; E424-R428 PolarHBondContact OE1-NH1 2.92Å; E424-R428 VanDerWaalsContact OE1-NH1 3.13Å; E424-R428 IonicContact OE1-NH2 2.92Å; E424-R428 PolarHBondContact OE1-NH2 3.35Å; R425-R428 PolarHBondContact O-N 3.36Å; R428-K430 PolarHBondContact O-N 2.97Å; R428-L431 PolarHBondContact O-N 3.37Å; R428-H432 WeakPolarHBondContact O-CB 3.47Å; R428-H432 PolarHBondContact O-CD2 3.29Å; R428-H432 PolarHBondContact O-N 3.24Å
429E97.1Very high97.3Very high90 Ų90104.6 Ų104.642%0.42151%0.511SS..Hα-helixtrans-59.2-46177.1-74.5171-17800110.8R425 L431 H432 E433R425-E429 IonicContact CZ-OE1 3.59Å; R425-E429 IonicContact NE-OE1 2.86Å; R425-E429 PolarHBondContact NE-OE1 3Å; R425-E429 IonicContact NH2-OE1 3.43Å; R425-E429 PolarHBondContact NH2-OE1 3.47Å; R425-E429 WeakPolarHBondContact O-CG 3.21Å; R425-E429 PolarHBondContact O-N 3.26Å; E429-L431 PolarHBondContact O-N 3.31Å; E429-H432 WeakPolarHBondContact O-CB 3.42Å; E429-H432 PolarHBondContact O-N 3.45Å; E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 2.74Å
430K97.4Very high97.2Very high136 Ų136104 Ų10459%0.59151%0.51SS*.Hα-helixtrans-59.9-42.9173.3-74.3178.8-179.5179.80113.3A426 A427 R428 H432 E433 E434A426-K430 WeakPolarHBondContact O-CG 3.37Å; A426-K430 PolarHBondContact O-N 3.19Å; A427-K430 PolarHBondContact O-N 2.92Å; R428-K430 PolarHBondContact O-N 2.97Å; K430-H432 VanDerWaalsContact C-N 3.31Å; K430-H432 PolarHBondContact O-N 2.92Å; K430-E433 PolarHBondContact O-N 3.3Å; K430-E434 WeakPolarHBondContact O-CG 3.26Å; K430-E434 PolarHBondContact O-N 3.13Å
431L96.3Very high97.2Very high111 Ų111104.2 Ų104.258%0.58151%0.509SS*.Hα-helixtrans-64.1-40.2176.6-168.3157.1000110.8A427 R428 E429 E434 K435A427-L431 WeakPolarHBondContact O-CB 3.47Å; A427-L431 PolarHBondContact O-N 3.39Å; R428-L431 PolarHBondContact O-N 3.37Å; E429-L431 PolarHBondContact O-N 3.31Å; L431-E434 PolarHBondContact O-N 3.26Å; L431-K435 VanDerWaalsContact O-CB 3.26Å; L431-K435 WeakPolarHBondContact O-CB 3.45Å; L431-K435 PolarHBondContact O-N 2.85Å
432H97.5Very high97Very high106 Ų106102.9 Ų102.949%0.49151%0.507SS..Hα-helixtrans-61.4-46.5173.6-86.1-75.6000111.7R428 E429 K430 E434 K435 E436R428-H432 WeakPolarHBondContact O-CB 3.47Å; R428-H432 PolarHBondContact O-CD2 3.29Å; R428-H432 PolarHBondContact O-N 3.24Å; E429-H432 WeakPolarHBondContact O-CB 3.42Å; E429-H432 PolarHBondContact O-N 3.45Å; K430-H432 VanDerWaalsContact C-N 3.31Å; K430-H432 PolarHBondContact O-N 2.92Å; H432-E434 PolarHBondContact O-N 2.91Å; H432-K435 WeakPolarHBondContact O-CB 3.37Å; H432-K435 PolarHBondContact O-N 2.85Å; H432-E436 WeakPolarHBondContact O-CG 3.44Å; H432-E436 PolarHBondContact O-N 2.84Å
433E96.8Very high96.9Very high127 Ų127100.7 Ų100.759%0.59350%0.503SS*.Hα-helixtrans-58.8-45.5174.9-71.3171.2179.300112E429 K430 E436 R437E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 2.74Å; K430-E433 PolarHBondContact O-N 3.3Å; E433-E436 PolarHBondContact O-N 3.18Å; E433-R437 WeakPolarHBondContact O-CB 3.48Å; E433-R437 PolarHBondContact O-N 2.92Å
434E96.5Very high96.8Very high115 Ų115104.3 Ų104.354%0.53751%0.508SS..Hα-helixtrans-64.2-40.2176.2-74.4-176.2176.800112.3K430 L431 H432 R437 L438K430-E434 WeakPolarHBondContact O-CG 3.26Å; K430-E434 PolarHBondContact O-N 3.13Å; L431-E434 PolarHBondContact O-N 3.26Å; H432-E434 PolarHBondContact O-N 2.91Å; E434-R437 PolarHBondContact O-N 3.36Å; E434-L438 WeakPolarHBondContact O-CB 2.95Å; E434-L438 WeakPolarHBondContact O-CG 3.39Å; E434-L438 PolarHBondContact O-N 3.36Å
435K96.5Very high96.7Very high135 Ų135104.1 Ų104.159%0.58751%0.509SS*.Hα-helixtrans-61.9-44.5175.4-179.2-175.4176.7-176.20110.9L431 H432 L438 A439L431-K435 VanDerWaalsContact O-CB 3.26Å; L431-K435 WeakPolarHBondContact O-CB 3.45Å; L431-K435 PolarHBondContact O-N 2.85Å; H432-K435 WeakPolarHBondContact O-CB 3.37Å; H432-K435 PolarHBondContact O-N 2.85Å; K435-L438 PolarHBondContact O-N 2.99Å; K435-A439 VanDerWaalsContact O-CB 3.31Å; K435-A439 WeakPolarHBondContact O-CB 3.23Å; K435-A439 PolarHBondContact O-N 2.93Å
436E96.6Very high96.6Very high139 Ų139104.3 Ų104.365%0.6551%0.513SS*.Hα-helixtrans-64.5-43.1176.2-73.3-173152.700111.7H432 E433 L438 A439 A440H432-E436 WeakPolarHBondContact O-CG 3.44Å; H432-E436 PolarHBondContact O-N 2.84Å; E433-E436 PolarHBondContact O-N 3.18Å; E436-L438 PolarHBondContact O-N 2.9Å; E436-A439 PolarHBondContact O-N 3.34Å; E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.36Å
437R96.9Very high96.5Very high120 Ų120108.3 Ų108.345%0.45352%0.522SS..Hα-helixtrans-58.4-47.8174.3-175.7-171.962.772.4-1.2111.8E433 E434 A440 Q441E433-R437 WeakPolarHBondContact O-CB 3.48Å; E433-R437 PolarHBondContact O-N 2.92Å; E434-R437 PolarHBondContact O-N 3.36Å; R437-A440 PolarHBondContact O-N 3.39Å; R437-Q441 WeakPolarHBondContact O-CG 3.33Å; R437-Q441 PolarHBondContact O-N 3.33Å
438L97.1Very high96.3Very high84 Ų84110.8 Ų110.844%0.4453%0.525SS..Hα-helixtrans-66-38.4177.9-72.3173.4000111.8E434 K435 E436 Q441 L442E434-L438 WeakPolarHBondContact O-CB 2.95Å; E434-L438 WeakPolarHBondContact O-CG 3.39Å; E434-L438 PolarHBondContact O-N 3.36Å; K435-L438 PolarHBondContact O-N 2.99Å; E436-L438 PolarHBondContact O-N 2.9Å; L438-Q441 PolarHBondContact O-N 3.43Å; L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 WeakPolarHBondContact O-CG 3.39Å; L438-L442 PolarHBondContact O-N 2.86Å
439A96.7Very high96Very high52 Ų52108.8 Ų108.843%0.4353%0.525SS..Hα-helixtrans-62.3-43.2175.100000111.8K435 E436 L442 E443K435-A439 VanDerWaalsContact O-CB 3.31Å; K435-A439 WeakPolarHBondContact O-CB 3.23Å; K435-A439 PolarHBondContact O-N 2.93Å; E436-A439 PolarHBondContact O-N 3.34Å; A439-L442 PolarHBondContact O-N 3.43Å; A439-E443 PolarHBondContact O-N 3.49Å
440A96.2Very high95.8Very high60 Ų60108.1 Ų108.150%0.49653%0.527SS..Hα-helixtrans-63.8-41174.800000112.3E436 R437 E443 F444E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.36Å; R437-A440 PolarHBondContact O-N 3.39Å; A440-E443 PolarHBondContact O-N 2.88Å; A440-F444 PolarHBondContact O-N 2.87Å
441Q96.6Very high95.6Very high95 Ų95106 Ų10644%0.44452%0.52SS..Hα-helixtrans-63.2-43.8173.9-73.3-179.9-1.900112R437 L438 F444 I445R437-Q441 WeakPolarHBondContact O-CG 3.33Å; R437-Q441 PolarHBondContact O-N 3.33Å; L438-Q441 PolarHBondContact O-N 3.43Å; Q441-F444 PolarHBondContact O-N 2.92Å; Q441-I445 WeakPolarHBondContact O-CG1 3.42Å; Q441-I445 PolarHBondContact O-N 3.44Å
442L95.3Very high95.4Very high104 Ų104105.2 Ų105.255%0.54552%0.515SS..Hα-helixtrans-62.7-41.1175.2-77174.2000111.9L438 A439 I445 K446L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 WeakPolarHBondContact O-CG 3.39Å; L438-L442 PolarHBondContact O-N 2.86Å; A439-L442 PolarHBondContact O-N 3.43Å; L442-I445 PolarHBondContact O-N 3.49Å; L442-K446 WeakPolarHBondContact O-CB 3.47Å; L442-K446 VanDerWaalsContact O-CG 3.25Å; L442-K446 WeakPolarHBondContact O-CG 3.34Å; L442-K446 PolarHBondContact O-N 2.82Å
443E95.6Very high95.1Very high111 Ų111105.4 Ų105.452%0.51952%0.517SS..Hα-helixtrans-60.6-44172.9-88.7-144.6169.200112.4A439 A440 K446 K447A439-E443 PolarHBondContact O-N 3.49Å; A440-E443 PolarHBondContact O-N 2.88Å; E443-K446 PolarHBondContact O-N 2.87Å; E443-K447 WeakPolarHBondContact O-CB 3.37Å; E443-K447 WeakPolarHBondContact O-CG 3.26Å; E443-K447 PolarHBondContact O-N 3.41Å; E443-K447 IonicContact OE2-NZ 2.87Å; E443-K447 PolarHBondContact OE2-NZ 3.17Å
444F96.1Very high94.7Very high134 Ų134104.6 Ų104.659%0.58851%0.513SS*.Hα-helixtrans-61-48.2177.7178.1-94.4000111.3A440 Q441 K446 K447 Q448A440-F444 PolarHBondContact O-N 2.87Å; Q441-F444 PolarHBondContact O-N 2.92Å; F444-K446 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 3.22Å; F444-K447 PolarHBondContact O-N 2.95Å; F444-Q448 WeakPolarHBondContact O-CB 3.47Å; F444-Q448 PolarHBondContact O-N 3.43Å
445I95.8Very high94.4Very high86 Ų86102.3 Ų102.344%0.44150%0.504SS..Hα-helixtrans-63.2-41.1176.9-67.1170.1000110.8Q441 L442 Q448 N449Q441-I445 WeakPolarHBondContact O-CG1 3.42Å; Q441-I445 PolarHBondContact O-N 3.44Å; L442-I445 PolarHBondContact O-N 3.49Å; I445-Q448 PolarHBondContact O-N 3.42Å; I445-N449 WeakPolarHBondContact O-CB 3.42Å; I445-N449 PolarHBondContact O-N 3.03Å
446K94.5Very high93.9Very high144 Ų144102 Ų10263%0.62651%0.506SS*.Hα-helixtrans-59.1-47.4174.2-79.9175.8178.8179.20111.2L442 E443 F444 Q448 N449 T450L442-K446 WeakPolarHBondContact O-CB 3.47Å; L442-K446 VanDerWaalsContact O-CG 3.25Å; L442-K446 WeakPolarHBondContact O-CG 3.34Å; L442-K446 PolarHBondContact O-N 2.82Å; E443-K446 PolarHBondContact O-N 2.87Å; F444-K446 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 3.22Å; K446-Q448 PolarHBondContact O-N 3.14Å; K446-N449 PolarHBondContact O-N 2.9Å; K446-T450 WeakPolarHBondContact O-CG2 3.44Å; K446-T450 PolarHBondContact O-N 3.24Å; K446-T450 PolarHBondContact O-OG1 3.21Å; K446-T450 VanDerWaalsContact O-OG1 3.11Å
447K95.4Very high93.4Very high127 Ų12799 Ų9955%0.55250%0.495SS*.Hα-helixtrans-59.5-44.9176.5-76.5167178.7153.80111.5E443 F444 T450 Q451E443-K447 WeakPolarHBondContact O-CB 3.37Å; E443-K447 WeakPolarHBondContact O-CG 3.26Å; E443-K447 PolarHBondContact O-N 3.41Å; E443-K447 IonicContact OE2-NZ 2.87Å; E443-K447 PolarHBondContact OE2-NZ 3.17Å; F444-K447 PolarHBondContact O-N 2.95Å; K447-T450 VanDerWaalsContact CA-OG1 3.29Å; K447-T450 WeakPolarHBondContact CA-OG1 3.37Å; K447-T450 PolarHBondContact O-N 3.47Å; K447-T450 PolarHBondContact O-OG1 2.92Å; K447-Q451 WeakPolarHBondContact O-CB 3.41Å; K447-Q451 PolarHBondContact O-N 2.91Å
448Q94.7Very high92.9Very high106 Ų10695 Ų9550%0.49549%0.485SS..Hα-helixtrans-63.3-44.2176-170-178.126.400112.1F444 I445 K446 Q451 L452F444-Q448 WeakPolarHBondContact O-CB 3.47Å; F444-Q448 PolarHBondContact O-N 3.43Å; I445-Q448 PolarHBondContact O-N 3.42Å; K446-Q448 PolarHBondContact O-N 3.14Å; Q448-Q451 WeakPolarHBondContact O-CB 3.46Å; Q448-Q451 PolarHBondContact O-N 3.43Å; Q448-L452 HydrophobicContact CG-CD1 4.41Å; Q448-L452 WeakPolarHBondContact O-CG 3.39Å; Q448-L452 PolarHBondContact O-N 2.86Å
449N91.6Very high92.1Very high102 Ų10295.7 Ų95.755%0.54549%0.489SS..Hα-helixtrans-61.5-44.7174.8-106.2-51.6000111.6I445 K446 Q451 L452 Q453I445-N449 WeakPolarHBondContact O-CB 3.42Å; I445-N449 PolarHBondContact O-N 3.03Å; K446-N449 PolarHBondContact O-N 2.9Å; N449-Q451 VanDerWaalsContact C-N 3.3Å; N449-Q451 PolarHBondContact O-N 3.37Å; N449-L452 PolarHBondContact O-N 3.36Å; N449-Q453 WeakPolarHBondContact O-CB 3.43Å; N449-Q453 PolarHBondContact O-N 2.89Å
450T91.8Very high91.2Very high76 Ų7695 Ų9547%0.46649%0.486SS..Hα-helixtrans-63.4-37.3175.851.40000111.8K446 K447 Q453 Q454K446-T450 WeakPolarHBondContact O-CG2 3.44Å; K446-T450 PolarHBondContact O-N 3.24Å; K446-T450 PolarHBondContact O-OG1 3.21Å; K446-T450 VanDerWaalsContact O-OG1 3.11Å; K447-T450 VanDerWaalsContact CA-OG1 3.29Å; K447-T450 WeakPolarHBondContact CA-OG1 3.37Å; K447-T450 PolarHBondContact O-N 3.47Å; K447-T450 PolarHBondContact O-OG1 2.92Å; T450-Q453 PolarHBondContact O-N 3.34Å; T450-Q454 WeakPolarHBondContact O-CB 3.42Å; T450-Q454 VanDerWaalsContact O-CG 3.23Å; T450-Q454 WeakPolarHBondContact O-CG 3.45Å; T450-Q454 PolarHBondContact O-N 3.02Å
451Q93.1Very high90.5Very high93 Ų93100.1 Ų100.144%0.43549%0.493SS..Hα-helixtrans-65.4-47.9175.4-176.462.347.800111.2K447 Q448 N449 Q453 Q454 D455K447-Q451 WeakPolarHBondContact O-CB 3.41Å; K447-Q451 PolarHBondContact O-N 2.91Å; Q448-Q451 WeakPolarHBondContact O-CB 3.46Å; Q448-Q451 PolarHBondContact O-N 3.43Å; N449-Q451 VanDerWaalsContact C-N 3.3Å; N449-Q451 PolarHBondContact O-N 3.37Å; Q451-Q453 VanDerWaalsContact C-N 3.3Å; Q451-Q453 PolarHBondContact O-N 2.96Å; Q451-Q454 CarbonylContact O-C 3.55Å; Q451-Q454 WeakPolarHBondContact O-CB 3.31Å; Q451-Q454 PolarHBondContact O-N 3.27Å; Q451-Q454 VanDerWaalsContact O-N 3.16Å; Q451-D455 PolarHBondContact NE2-OD1 3.44Å; Q451-D455 WeakPolarHBondContact O-CB 3.4Å; Q451-D455 VanDerWaalsContact O-CG 3.28Å; Q451-D455 PolarHBondContact O-N 3.32Å
452L92.1Very high89.5Confident94 Ų94103.3 Ų103.349%0.49250%0.501SS..Hα-helixtrans-61.5-39.8176.4-72.8172.7000111.7Q448 N449 D455 M456Q448-L452 HydrophobicContact CG-CD1 4.41Å; Q448-L452 WeakPolarHBondContact O-CG 3.39Å; Q448-L452 PolarHBondContact O-N 2.86Å; N449-L452 PolarHBondContact O-N 3.36Å; L452-D455 PolarHBondContact O-N 2.85Å; L452-M456 WeakPolarHBondContact O-CB 3.38Å; L452-M456 VanDerWaalsContact O-CG 3.27Å; L452-M456 WeakPolarHBondContact O-CG 3.49Å; L452-M456 PolarHBondContact O-N 2.86Å
453Q90.5Very high88.5Confident110 Ų110101.7 Ų101.751%0.51450%0.498SS..Hα-helixtrans-62.5-44.4174-17264.24600111.1N449 T450 Q451 D455 M456 D457N449-Q453 WeakPolarHBondContact O-CB 3.43Å; N449-Q453 PolarHBondContact O-N 2.89Å; T450-Q453 PolarHBondContact O-N 3.34Å; Q451-Q453 VanDerWaalsContact C-N 3.3Å; Q451-Q453 PolarHBondContact O-N 2.96Å; Q453-D455 VanDerWaalsContact C-N 3.35Å; Q453-M456 PolarHBondContact O-N 3.26Å; Q453-D457 PolarHBondContact NE2-OD1 3.32Å; Q453-D457 VanDerWaalsContact NE2-OD1 3.15Å; Q453-D457 WeakPolarHBondContact O-CB 3.45Å; Q453-D457 PolarHBondContact O-N 2.91Å
454Q89.6Confident87.2Confident110 Ų110101 Ų10151%0.51450%0.497SS..Hα-helixtrans-63-39.8174.6-74.6172.59.800112.1T450 Q451 D457 S458T450-Q454 WeakPolarHBondContact O-CB 3.42Å; T450-Q454 VanDerWaalsContact O-CG 3.23Å; T450-Q454 WeakPolarHBondContact O-CG 3.45Å; T450-Q454 PolarHBondContact O-N 3.02Å; Q451-Q454 CarbonylContact O-C 3.55Å; Q451-Q454 WeakPolarHBondContact O-CB 3.31Å; Q451-Q454 PolarHBondContact O-N 3.27Å; Q451-Q454 VanDerWaalsContact O-N 3.16Å; Q454-D457 PolarHBondContact O-N 2.88Å; Q454-S458 WeakPolarHBondContact O-CB 3.25Å; Q454-S458 PolarHBondContact O-N 2.88Å
455D90.1Very high85.8Confident67 Ų6798.6 Ų98.636%0.35849%0.491SS..Hα-helixtrans-66.4-44.6177.3-70.5-16.8000110.7Q451 L452 Q453 S458 L459Q451-D455 PolarHBondContact NE2-OD1 3.44Å; Q451-D455 WeakPolarHBondContact O-CB 3.4Å; Q451-D455 VanDerWaalsContact O-CG 3.28Å; Q451-D455 PolarHBondContact O-N 3.32Å; L452-D455 PolarHBondContact O-N 2.85Å; Q453-D455 VanDerWaalsContact C-N 3.35Å; D455-S458 WeakPolarHBondContact CA-OG 3.32Å; D455-S458 PolarHBondContact O-N 3.47Å; D455-S458 PolarHBondContact O-OG 2.83Å; D455-L459 WeakPolarHBondContact O-CB 3.41Å; D455-L459 VanDerWaalsContact O-CG 3.31Å; D455-L459 WeakPolarHBondContact O-CG 3.49Å; D455-L459 PolarHBondContact O-N 2.88Å
456M86.1Confident84.5Confident128 Ų128100.4 Ų100.463%0.63150%0.497SS*.Hα-helixtrans-59.4-46.6172.4-76.6-63.8-60.900111.9L452 Q453 S458 L459 G460L452-M456 WeakPolarHBondContact O-CB 3.38Å; L452-M456 VanDerWaalsContact O-CG 3.27Å; L452-M456 WeakPolarHBondContact O-CG 3.49Å; L452-M456 PolarHBondContact O-N 2.86Å; Q453-M456 PolarHBondContact O-N 3.26Å; M456-S458 VanDerWaalsContact C-N 3.3Å; M456-S458 PolarHBondContact O-N 3.42Å; M456-L459 PolarHBondContact O-N 3.24Å; M456-G460 PolarHBondContact O-N 3.37Å
457D86.8Confident82.9Confident76 Ų76100 Ų10041%0.40650%0.499SS..Hα-helixtrans-64.7-36.5175.8-70.8-10.7000110.9Q453 Q454 G460 R461Q453-D457 PolarHBondContact NE2-OD1 3.32Å; Q453-D457 VanDerWaalsContact NE2-OD1 3.15Å; Q453-D457 WeakPolarHBondContact O-CB 3.45Å; Q453-D457 PolarHBondContact O-N 2.91Å; Q454-D457 PolarHBondContact O-N 2.88Å; D457-G460 PolarHBondContact O-N 3.37Å; D457-R461 VanDerWaalsContact O-CB 3.26Å; D457-R461 WeakPolarHBondContact O-CB 3.32Å; D457-R461 WeakPolarHBondContact O-CG 3.41Å; D457-R461 PolarHBondContact O-N 3.37Å
458S84.9Confident81.1Confident35 Ų3599.9 Ų99.925%0.24550%0.501CS..Hα-helixtrans-69.8-38.5177.484.10000111.8Q454 D455 M456 R461 R462Q454-S458 WeakPolarHBondContact O-CB 3.25Å; Q454-S458 PolarHBondContact O-N 2.88Å; D455-S458 WeakPolarHBondContact CA-OG 3.32Å; D455-S458 PolarHBondContact O-N 3.47Å; D455-S458 PolarHBondContact O-OG 2.83Å; M456-S458 VanDerWaalsContact C-N 3.3Å; M456-S458 PolarHBondContact O-N 3.42Å; S458-R461 PolarHBondContact O-N 2.86Å; S458-R462 WeakPolarHBondContact O-CB 3.33Å; S458-R462 WeakPolarHBondContact O-CG 3.41Å; S458-R462 PolarHBondContact O-N 3.34Å
459L81.9Confident79.4Confident100 Ų100105.3 Ų105.352%0.52452%0.517SS..Hα-helixtrans-69.4-41.9173.6-73.5170.4000110.3D455 M456 R461 R462 S463D455-L459 WeakPolarHBondContact O-CB 3.41Å; D455-L459 VanDerWaalsContact O-CG 3.31Å; D455-L459 WeakPolarHBondContact O-CG 3.49Å; D455-L459 PolarHBondContact O-N 2.88Å; M456-L459 PolarHBondContact O-N 3.24Å; L459-R461 PolarHBondContact O-N 3.47Å; L459-R462 PolarHBondContact O-N 3.48Å; L459-S463 VanDerWaalsContact O-CB 3.27Å; L459-S463 WeakPolarHBondContact O-CB 3.49Å; L459-S463 PolarHBondContact O-N 2.95Å
460G77.6Confident77.5Confident36 Ų36110 Ų11037%0.37153%0.527SS..Hα-helixtrans-59.2-44.5171.500000111.9M456 D457 S463 L464M456-G460 PolarHBondContact O-N 3.37Å; D457-G460 PolarHBondContact O-N 3.37Å; G460-S463 PolarHBondContact O-N 3.29Å; G460-L464 WeakPolarHBondContact O-CB 3.27Å; G460-L464 PolarHBondContact O-N 2.85Å
461R80.2Confident75.4Confident168 Ų168114.4 Ų114.463%0.63454%0.542SS*.Hα-helixtrans-67.9-39.8174.4-75174.7-167.8-83.81.3112.7D457 S458 L459 L464 N465D457-R461 VanDerWaalsContact O-CB 3.26Å; D457-R461 WeakPolarHBondContact O-CB 3.32Å; D457-R461 WeakPolarHBondContact O-CG 3.41Å; D457-R461 PolarHBondContact O-N 3.37Å; S458-R461 PolarHBondContact O-N 2.86Å; L459-R461 PolarHBondContact O-N 3.47Å; R461-L464 PolarHBondContact O-N 2.85Å; R461-N465 VanDerWaalsContact O-CB 3.23Å; R461-N465 WeakPolarHBondContact O-CB 3.34Å; R461-N465 PolarHBondContact O-N 3.11Å; R461-N465 PolarHBondContact O-ND2 3.49Å
462R76.1Confident72.5Confident162 Ų162113.2 Ų113.261%0.61155%0.554SS**Hα-helixtrans-64.2-44.1174-81-178.7-171.5129.10.6110.9S458 L459 N465 E466S458-R462 WeakPolarHBondContact O-CB 3.33Å; S458-R462 WeakPolarHBondContact O-CG 3.41Å; S458-R462 PolarHBondContact O-N 3.34Å; L459-R462 PolarHBondContact O-N 3.48Å; R462-N465 PolarHBondContact O-N 3.44Å; R462-E466 VanDerWaalsContact O-CB 3.3Å; R462-E466 WeakPolarHBondContact O-CB 3.43Å; R462-E466 PolarHBondContact O-N 2.84Å
463S73.4Confident69.8Low70 Ų70114.9 Ų114.949%0.4957%0.574SS.*Hα-helixtrans-61.2-43.3173.6176.70000111.8L459 G460 E466 M467L459-S463 VanDerWaalsContact O-CB 3.27Å; L459-S463 WeakPolarHBondContact O-CB 3.49Å; L459-S463 PolarHBondContact O-N 2.95Å; G460-S463 PolarHBondContact O-N 3.29Å; S463-E466 PolarHBondContact O-N 3.34Å; S463-M467 PolarHBondContact O-N 3.15Å
464L68.9Low67.1Low97 Ų97114.4 Ų114.451%0.50858%0.582SS.*Hα-helixtrans-63.8-44.2174.1-100.9164.6000112.2G460 R461 E466 M467 Q468G460-L464 WeakPolarHBondContact O-CB 3.27Å; G460-L464 PolarHBondContact O-N 2.85Å; R461-L464 PolarHBondContact O-N 2.85Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 2.87Å; L464-M467 WeakPolarHBondContact O-CB 3.45Å; L464-M467 PolarHBondContact O-N 2.87Å; L464-Q468 WeakPolarHBondContact O-CB 3.35Å; L464-Q468 PolarHBondContact O-N 2.82Å
465N67.8Low64.3Low83 Ų83114.9 Ų114.944%0.44459%0.593SS.*Hα-helixtrans-66.9-32.5177.2-77.7-22.9000112R461 R462 Q468 R469R461-N465 VanDerWaalsContact O-CB 3.23Å; R461-N465 WeakPolarHBondContact O-CB 3.34Å; R461-N465 PolarHBondContact O-N 3.11Å; R461-N465 PolarHBondContact O-ND2 3.49Å; R462-N465 PolarHBondContact O-N 3.44Å; N465-Q468 PolarHBondContact O-N 3.43Å; N465-R469 WeakPolarHBondContact O-CB 3.49Å; N465-R469 WeakPolarHBondContact O-CG 3.42Å; N465-R469 PolarHBondContact O-N 3.16Å
466E68.5Low61.7Low125 Ų125117.1 Ų117.158%0.58461%0.613SS**Hα-helixtrans-72.4-38.2174-166.7172.7-175.200111.5R462 S463 L464 R469R462-E466 VanDerWaalsContact O-CB 3.3Å; R462-E466 WeakPolarHBondContact O-CB 3.43Å; R462-E466 PolarHBondContact O-N 2.84Å; S463-E466 PolarHBondContact O-N 3.34Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 2.87Å; E466-R469 PolarHBondContact O-N 2.89Å
467M59.9Low59.2Low136 Ų136114.7 Ų114.767%0.6762%0.622SS**Hα-helixtrans-60.9-43166.9-85.1-128.7-73.900112.1S463 L464 R470S463-M467 PolarHBondContact O-N 3.15Å; L464-M467 WeakPolarHBondContact O-CB 3.45Å; L464-M467 PolarHBondContact O-N 2.87Å; M467-R470 PolarHBondContact O-N 3.24Å
468Q58.6Low57Low124 Ų124116.2 Ų116.258%0.57964%0.638SS**Hα-helixtrans-69.3-31.7177.1-83.2177.1-3100113.2L464 N465 R470 H471L464-Q468 WeakPolarHBondContact O-CB 3.35Å; L464-Q468 PolarHBondContact O-N 2.82Å; N465-Q468 PolarHBondContact O-N 3.43Å; Q468-R470 PolarHBondContact O-N 3.41Å; Q468-H471 CarbonylContact O-C 3.27Å; Q468-H471 VanDerWaalsContact O-C 3.27Å; Q468-H471 PolarHBondContact O-N 3.42Å
469R57.4Low54.6Low220 Ų220124 Ų12483%0.8367%0.67SS**Hα-helixtrans-68.3-13.2175.6-80.3179.4-168.1-97.31.2114N465 E466N465-R469 WeakPolarHBondContact O-CB 3.49Å; N465-R469 WeakPolarHBondContact O-CG 3.42Å; N465-R469 PolarHBondContact O-N 3.16Å; E466-R469 PolarHBondContact O-N 2.89Å
470R51.6Low52.4Low201 Ų201122.4 Ų122.476%0.75868%0.678SS**THydrogen-bonded Turntrans-87.8-4.8171.1-64.8-171.2179.7-157.31.1113.6M467 Q468M467-R470 PolarHBondContact O-N 3.24Å; Q468-R470 PolarHBondContact O-N 3.41Å
471H47.7Very low51Low168 Ų168126.9 Ų126.978%0.77870%0.7SS**SBendtrans-147.592.5174.5-68.6-74.8000111.4Q468Q468-H471 CarbonylContact O-C 3.27Å; Q468-H471 VanDerWaalsContact O-C 3.27Å; Q468-H471 PolarHBondContact O-N 3.42Å
472G33.8Very low48.6Very low68 Ų68126.4 Ų126.470%0.70171%0.71SS**  trans-94.4150.1-179.400000115.2
473S34.4Very low47Very low128 Ų128123 Ų12390%0.89572%0.717SS**  trans91.3133.5167.6-65.60000116.4
474S34.3Very low45.1Very low100 Ų100124.9 Ų124.970%0.69973%0.73SS**  cis-177.7142.86.3-1770000110.7
475V31.3Very low43.4Very low121 Ų121127.4 Ų127.473%0.73374%0.743SS**  trans72.1111142.9166.20000118.9
476S35Very low41.8Very low113 Ų113130 Ų13079%0.7976%0.762SS**  74.7138.961.493.40000114.1
477G33.4Very low40.1Very low78 Ų78127.4 Ų127.480%0.80477%0.769SS**  cis-165.6-159.310.400000108.4
478S40.7Very low39Very low107 Ų107132.8 Ų132.875%0.74878%0.781SS**  cis-175.2139.9-4.4175.40000106.2
479H33.7Very low37.8Very low199 Ų199130.5 Ų130.592%0.92179%0.791SS**  trans-165123.6145.8-89.5-56.2000109.4
480G35.8Very low36.9Very low66 Ų66125.6 Ų125.668%0.6879%0.786SS**  trans-142.5-176.4167.300000107.7
481P48Very low36.1Very low130 Ų130122.4 Ų122.484%0.84478%0.784SS**  cis-128.9-168.923.642.7-24.4000110.3
482D31.2Very low35.5Very low159 Ų159125.8 Ų125.885%0.8579%0.79SS**  cis-162.3158.39.1-157.4-7.9000106.5
483A41.9Very low35.7Very low90 Ų90130.8 Ų130.874%0.74480%0.801SS**  trans-125.5124.6-179.500000111
484S32.9Very low35.8Very low110 Ų110133 Ų13377%0.76980%0.797SS**  trans-160.6156.3152.278.30000112.4
485L33.8Very low36.2Very low149 Ų149131.7 Ų131.778%0.7880%0.798SS**  trans92.1103.5162.2-99.283.3000120.9
486V34.3Very low36.8Very low139 Ų139133.2 Ų133.284%0.84280%0.803SS**  64.1131.2116.8179.20000119.8
487G32.8Very low37.7Very low70 Ų70134.8 Ų134.872%0.72280%0.801SS**  trans129.472.6138.900000116.8
488R36.2Very low39Very low248 Ų248134.5 Ų134.594%0.93679%0.785SS**  trans-72.7125.4159.3178.5-174.2-100.8-103.92.9108.3
489G33.8Very low40.2Very low76 Ų76137.8 Ų137.878%0.78479%0.788SS**  trans-166.890.8173.700000110.6
490T37.4Very low42.2Very low118 Ų118130.9 Ų130.972%0.72476%0.756SS**  trans-94.8129.3169.5-39.80000106.7
491D35.5Very low44.3Very low133 Ų133128.9 Ų128.971%0.71173%0.733SS**  trans148162.2146.9-76-17000112.6
492W34.8Very low45.8Very low240 Ų240122.8 Ų122.891%0.90969%0.694SS**  trans96.867.6176.7-46.5106.7000116.2Q494W492-Q494 PolarHBondContact O-N 3.46Å
493N37.8Very low47.9Very low173 Ų173120.8 Ų120.893%0.92569%0.689SS**  trans-79.8106.7157.4-139.535.6000108.7
494Q38.1Very low49.6Very low175 Ų175122.9 Ų122.982%0.81868%0.682SS**  trans-73.2119.5167.1-77.6170-4.600109.5W492W492-Q494 PolarHBondContact O-N 3.46Å
495G42Very low52Low71 Ų71120.6 Ų120.673%0.73267%0.665SS**  trans-94.7102161.200000109.2I497G495-I497 PolarHBondContact O-N 2.83Å
496N44.6Very low54.1Low154 Ų154119.4 Ų119.482%0.82466%0.66SS**  trans-62.2113.4172.1-99.6-3.3000110.2
497I51.9Low56.3Low145 Ų145117.9 Ų117.974%0.74464%0.643SS**  trans-80.3128.3162.6-57169.6000106.3G495 E499G495-I497 PolarHBondContact O-N 2.83Å; I497-E499 PolarHBondContact O-N 3.31Å
498P61.8Low58.6Low73 Ų73120.2 Ų120.247%0.47464%0.638SS.*  trans-58.9127174.7-20.631.6000110.4H500 I508P498-H500 PolarHBondContact O-N 2.79Å; P498-I508 HydrophobicContact CB-CD1 4.49Å; P498-I508 HydrophobicContact CG-CD1 4.42Å
499E65.9Low60.6Low175 Ų175109.8 Ų109.882%0.81860%0.6SS**THydrogen-bonded Turntrans-60.5-9.2-169.3-82.4179.4150.700115.8I497I497-E499 PolarHBondContact O-N 3.31Å
500H75.1Confident62.8Low55 Ų55111.6 Ų111.626%0.25560%0.598SS.*THydrogen-bonded Turntrans-137.648.5-175.3-5492.8000113P498 L509 L512P498-H500 PolarHBondContact O-N 2.79Å; H500-L509 WeakPolarHBondContact CB-O 3.42Å; H500-L509 PolarHBondContact O-N 3.46Å; H500-L512 PolarHBondContact CD2-N 2.87Å
501A80Confident64.9Low23 Ų23109.3 Ų109.319%0.1958%0.582CS.*BIsolated β-bridgetrans-107132.8177.500000112.3P503 E507 I508A501-P503 WeakPolarHBondContact O-CD 3.29Å; A501-E507 WeakPolarHBondContact CA-O 3.23Å; A501-I508 HydrophobicContact CB-CG1 4.42Å
502C80.3Confident66.9Low3 Ų3107.8 Ų107.82%0.0257%0.573CS.*  trans-71.2123.4174.1176.50000111K504 N506 E507 L515 H518C502-K504 PolarHBondContact O-N 2.78Å; C502-K504 VanDerWaalsContact O-N 3.15Å; C502-N506 WeakPolarHBondContact O-CA 3.31Å; C502-N506 PolarHBondContact O-N 3.35Å; C502-E507 PolarHBondContact N-O 2.75Å; C502-L515 HydrophobicContact CB-CD1 3.96Å; C502-H518 VanDerWaalsContact CB-CD2 3.5Å; C502-H518 WeakPolarHBondContact CB-CD2 3.26Å; C502-H518 PolarHBondContact SG-CD2 3.31Å; C502-H518 PolarHBondContact SG-NE2 2.93Å
503P74.9Confident69.2Low116 Ų116101.6 Ų101.675%0.75356%0.558SS**THydrogen-bonded Turntrans-69.3-12.2-175.324.7-32.2000115A501A501-P503 WeakPolarHBondContact O-CD 3.29Å
504K77.3Confident71.3Confident134 Ų13495.4 Ų95.458%0.58353%0.528SS*.THydrogen-bonded Turntrans-90.5-47.5178.8-166.8-172.4178.6-179.10112.8C502 C522 N524C502-K504 PolarHBondContact O-N 2.78Å; C502-K504 VanDerWaalsContact O-N 3.15Å; K504-C522 WeakPolarHBondContact CD-O 3.5Å; K504-C522 VanDerWaalsContact CE-O 3.3Å; K504-C522 WeakPolarHBondContact CE-O 3.27Å; K504-C522 PolarHBondContact NZ-O 3.47Å; K504-N524 PolarHBondContact NZ-OXT 3.31Å
505C83.3Confident73.5Confident62 Ų6288 Ų8842%0.41949%0.494SS..THydrogen-bonded Turntrans-109-5.7-176.364.60000114E507 H518C505-E507 PolarHBondContact O-N 3.5Å; C505-H518 VanDerWaalsContact SG-CE1 3.59Å; C505-H518 PolarHBondContact SG-NE2 2.79Å
506N78.6Confident75.3Confident125 Ų12590.2 Ų90.267%0.66849%0.485SS*.  trans59.324.6-179.8-139.954.1000114.6C502C502-N506 WeakPolarHBondContact O-CA 3.31Å; C502-N506 PolarHBondContact O-N 3.35Å
507E79.6Confident77Confident107 Ų10788.2 Ų88.250%0.547%0.474SS..  trans-76.6128.7174.9-165.9168.7-166.500110.1A501 C502 C505 H518A501-E507 WeakPolarHBondContact CA-O 3.23Å; C502-E507 PolarHBondContact N-O 2.75Å; C505-E507 PolarHBondContact O-N 3.5Å; E507-H518 IonicContact OE2-CE1 3.3Å; E507-H518 PolarHBondContact OE2-CE1 2.81Å; E507-H518 VanDerWaalsContact OE2-CE1 3.3Å; E507-H518 IonicContact OE2-ND1 3.85Å
508I81.1Confident78.5Confident118 Ų11883 Ų8361%0.60545%0.446SS*.BIsolated β-bridgetrans-90.9119.1-179.8-57.7174.7000108.1P498 A501P498-I508 HydrophobicContact CB-CD1 4.49Å; P498-I508 HydrophobicContact CG-CD1 4.42Å; A501-I508 HydrophobicContact CB-CG1 4.42Å
509L79.7Confident79.4Confident29 Ų2982.1 Ų82.115%0.15244%0.437CS..  trans-105153.7-176.7-67.7163.5000111H500 D511 L515 H518H500-L509 WeakPolarHBondContact CB-O 3.42Å; H500-L509 PolarHBondContact O-N 3.46Å; L509-D511 VanDerWaalsContact C-N 3.32Å; L509-D511 PolarHBondContact O-N 2.73Å; L509-L515 HydrophobicContact CD1-CB 4.18Å; L509-L515 HydrophobicContact CD1-CD1 4.01Å; L509-H518 HydrophobicContact CD1-CB 3.49Å; L509-H518 VanDerWaalsContact CD1-CB 3.49Å
510P79.9Confident79.9Confident114 Ų11480 Ų8074%0.7443%0.428SS*.SBendtrans-68.9-28.8-170.7-16.630.1000113.9
511D79.8Confident79.9Confident71 Ų7183.2 Ų83.238%0.3845%0.447SS..SBendtrans-152.3170.1-176.56016.6000112.7L509 D513 S514 L515L509-D511 VanDerWaalsContact C-N 3.32Å; L509-D511 PolarHBondContact O-N 2.73Å; D511-D513 VanDerWaalsContact C-N 3.35Å; D511-D513 PolarHBondContact O-N 3.2Å; D511-S514 PolarHBondContact O-N 2.75Å; D511-S514 WeakPolarHBondContact OD1-CB 3.42Å; D511-S514 PolarHBondContact OD1-N 2.97Å; D511-S514 PolarHBondContact OD1-OG 2.85Å; D511-L515 PolarHBondContact O-N 2.77Å
512L79.4Confident80Confident101 Ų10183.2 Ų83.253%0.52945%0.446SS..Hα-helixtrans-65-35.4-178.2-164.483.4000112.5H500 L515 Q516H500-L512 PolarHBondContact CD2-N 2.87Å; L512-L515 WeakPolarHBondContact O-CB 3.49Å; L512-L515 PolarHBondContact O-N 3.49Å; L512-Q516 WeakPolarHBondContact O-CB 3.21Å; L512-Q516 PolarHBondContact O-N 2.76Å
513D81.4Confident79.6Confident109 Ų10989 Ų8958%0.58348%0.475SS*.Hα-helixtrans-66.7-42.7-179.9-76.2-10.2000111D511 L515 Q516 I517D511-D513 VanDerWaalsContact C-N 3.35Å; D511-D513 PolarHBondContact O-N 3.2Å; D513-L515 VanDerWaalsContact C-N 3.3Å; D513-L515 PolarHBondContact O-N 2.8Å; D513-Q516 PolarHBondContact O-N 3.47Å; D513-I517 WeakPolarHBondContact O-CG1 3.35Å; D513-I517 PolarHBondContact O-N 3.44Å; D513-I517 VanDerWaalsContact O-N 3.08Å
514S83.1Confident78.6Confident44 Ų4491.9 Ų91.931%0.30848%0.484SS..Hα-helixtrans-62.7-38.5173.4-590000111.6D511 H518D511-S514 PolarHBondContact O-N 2.75Å; D511-S514 WeakPolarHBondContact OD1-CB 3.42Å; D511-S514 PolarHBondContact OD1-N 2.97Å; D511-S514 PolarHBondContact OD1-OG 2.85Å; S514-H518 WeakPolarHBondContact O-CB 3.18Å; S514-H518 PolarHBondContact O-N 2.83Å
515L84.2Confident78.7Confident19 Ų1989.8 Ų89.810%0.09948%0.48CS..Hα-helixtrans-65.4-40.9175.3179.964.5000112.1C502 L509 D511 L512 D513 H518 I519C502-L515 HydrophobicContact CB-CD1 3.96Å; L509-L515 HydrophobicContact CD1-CB 4.18Å; L509-L515 HydrophobicContact CD1-CD1 4.01Å; D511-L515 PolarHBondContact O-N 2.77Å; L512-L515 WeakPolarHBondContact O-CB 3.49Å; L512-L515 PolarHBondContact O-N 3.49Å; D513-L515 VanDerWaalsContact C-N 3.3Å; D513-L515 PolarHBondContact O-N 2.8Å; L515-H518 PolarHBondContact O-N 3.31Å; L515-I519 HydrophobicContact CD1-CD1 3.79Å; L515-I519 HydrophobicContact CD1-CG1 3.96Å; L515-I519 HydrophobicContact CD2-CD1 4.32Å; L515-I519 HydrophobicContact CG-CD1 3.69Å; L515-I519 HydrophobicContact CG-CG1 4.26Å; L515-I519 WeakPolarHBondContact O-CB 3.3Å; L515-I519 WeakPolarHBondContact O-CG1 3.32Å; L515-I519 PolarHBondContact O-N 3.48Å
516Q78.4Confident78.5Confident118 Ų11891.3 Ų91.355%0.55148%0.483SS*.Hα-helixtrans-70-36.6-177.8-159.7173-5.900112.2L512 D513 M520L512-Q516 WeakPolarHBondContact O-CB 3.21Å; L512-Q516 PolarHBondContact O-N 2.76Å; D513-Q516 PolarHBondContact O-N 3.47Å; Q516-M520 PolarHBondContact O-N 2.79Å
517I80.7Confident78.4Confident112 Ų11289.4 Ų89.457%0.57447%0.472SS*.Hα-helixtrans-66-49.5170.6-63.2166.5000109.9D513 I519 M520 D521D513-I517 WeakPolarHBondContact O-CG1 3.35Å; D513-I517 PolarHBondContact O-N 3.44Å; D513-I517 VanDerWaalsContact O-N 3.08Å; I517-I519 PolarHBondContact O-N 3.4Å; I517-M520 VanDerWaalsContact O-CB 3.3Å; I517-M520 WeakPolarHBondContact O-CB 3.34Å; I517-M520 PolarHBondContact O-N 3.4Å; I517-M520 VanDerWaalsContact O-N 3.11Å; I517-D521 PolarHBondContact O-N 3.34Å
518H83.1Confident78.4Confident36 Ų3688.4 Ų88.417%0.16747%0.471CS..Hα-helixtrans-60.7-41.7-178.9176.295.5000112.5C502 C505 E507 L509 S514 L515 M520 D521 C522C502-H518 VanDerWaalsContact CB-CD2 3.5Å; C502-H518 WeakPolarHBondContact CB-CD2 3.26Å; C502-H518 PolarHBondContact SG-CD2 3.31Å; C502-H518 PolarHBondContact SG-NE2 2.93Å; C505-H518 VanDerWaalsContact SG-CE1 3.59Å; C505-H518 PolarHBondContact SG-NE2 2.79Å; E507-H518 IonicContact OE2-CE1 3.3Å; E507-H518 PolarHBondContact OE2-CE1 2.81Å; E507-H518 VanDerWaalsContact OE2-CE1 3.3Å; E507-H518 IonicContact OE2-ND1 3.85Å; L509-H518 HydrophobicContact CD1-CB 3.49Å; L509-H518 VanDerWaalsContact CD1-CB 3.49Å; S514-H518 WeakPolarHBondContact O-CB 3.18Å; S514-H518 PolarHBondContact O-N 2.83Å; L515-H518 PolarHBondContact O-N 3.31Å; H518-M520 PolarHBondContact O-N 3.34Å; H518-D521 PolarHBondContact O-N 3.05Å; H518-C522 WeakPolarHBondContact NE2-CB 3.23Å; H518-C522 PolarHBondContact NE2-SG 3.41Å; H518-C522 VanDerWaalsContact NE2-SG 3.37Å; H518-C522 WeakPolarHBondContact O-CB 3.46Å; H518-C522 PolarHBondContact O-N 3.22Å
519I81.3Confident78.2Confident54 Ų5486.5 Ų86.528%0.27746%0.462SS..Hα-helixtrans-61.3-34.9177.7-74171000111.1L515 I517 I523L515-I519 HydrophobicContact CD1-CD1 3.79Å; L515-I519 HydrophobicContact CD1-CG1 3.96Å; L515-I519 HydrophobicContact CD2-CD1 4.32Å; L515-I519 HydrophobicContact CG-CD1 3.69Å; L515-I519 HydrophobicContact CG-CG1 4.26Å; L515-I519 WeakPolarHBondContact O-CB 3.3Å; L515-I519 WeakPolarHBondContact O-CG1 3.32Å; L515-I519 PolarHBondContact O-N 3.48Å; I517-I519 PolarHBondContact O-N 3.4Å; I519-I523 HydrophobicContact CG2-CD1 3.42Å; I519-I523 VanDerWaalsContact CG2-CD1 3.42Å; I519-I523 HydrophobicContact CG2-CG1 4.04Å; I519-I523 VanDerWaalsContact O-CB 3.3Å; I519-I523 WeakPolarHBondContact O-CB 3.46Å; I519-I523 VanDerWaalsContact O-CG1 3.3Å; I519-I523 WeakPolarHBondContact O-CG1 3.32Å; I519-I523 PolarHBondContact O-N 2.88Å
520M76.5Confident78.1Confident129 Ų12990.3 Ų90.364%0.63548%0.483SS*.Hα-helixtrans-64.5-40.7178-148.98367.100112.1Q516 I517 H518Q516-M520 PolarHBondContact O-N 2.79Å; I517-M520 VanDerWaalsContact O-CB 3.3Å; I517-M520 WeakPolarHBondContact O-CB 3.34Å; I517-M520 PolarHBondContact O-N 3.4Å; I517-M520 VanDerWaalsContact O-N 3.11Å; H518-M520 PolarHBondContact O-N 3.34Å
521D76Confident78Confident123 Ų12388.6 Ų88.666%0.65847%0.465SS*.Hα-helixtrans-81.6-33.2178.2-70.4-25.1000112.4I517 H518I517-D521 PolarHBondContact O-N 3.34Å; H518-D521 PolarHBondContact O-N 3.05Å
522C80.9Confident77.8Confident24 Ų2490 Ų9016%0.16247%0.471CS..Hα-helixtrans-83.7-18.4-174.5-161.60000112.5K504 H518K504-C522 WeakPolarHBondContact CD-O 3.5Å; K504-C522 VanDerWaalsContact CE-O 3.3Å; K504-C522 WeakPolarHBondContact CE-O 3.27Å; K504-C522 PolarHBondContact NZ-O 3.47Å; H518-C522 WeakPolarHBondContact NE2-CB 3.23Å; H518-C522 PolarHBondContact NE2-SG 3.41Å; H518-C522 VanDerWaalsContact NE2-SG 3.37Å; H518-C522 WeakPolarHBondContact O-CB 3.46Å; H518-C522 PolarHBondContact O-N 3.22Å
523I71.4Confident77.7Confident123 Ų12389.1 Ų89.163%0.63147%0.466SS*.  trans-79.7-22.3175.4-77.4179.3000113.2I519I519-I523 HydrophobicContact CG2-CD1 3.42Å; I519-I523 VanDerWaalsContact CG2-CD1 3.42Å; I519-I523 HydrophobicContact CG2-CG1 4.04Å; I519-I523 VanDerWaalsContact O-CB 3.3Å; I519-I523 WeakPolarHBondContact O-CB 3.46Å; I519-I523 VanDerWaalsContact O-CG1 3.3Å; I519-I523 WeakPolarHBondContact O-CG1 3.32Å; I519-I523 PolarHBondContact O-N 2.88Å
524N55.4Low77.4Confident178 Ų17887.3 Ų87.395%0.95246%0.456SS*.  trans-77.60164.7-67.4-45.1000111.3K504K504-N524 PolarHBondContact NZ-OXT 3.31Å

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