A0A096N505_PAPAN Loading...

Adaptin ear-binding coat-associated protein 1

Involved in endocytosis.

AlphaFold DB (A0A0D9RBK2), UniProt , Accession A0A096N505, Species PAPAN (Papio anubis, Olive baboon), Gene NECAP1, Length 275 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
1M38.2Very low66.2Low246 Ų246124.9 Ų124.9100%1.21267%0.669SS**  089.90-154166.9-166.400105.7A3M1-A3 PolarHBondContact O-N 3.24Å
2A39.9Very low68.2Low98 Ų98115.9 Ų115.981%0.8162%0.623SS**  trans-67.7126.2178.700000106.9E4A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 2.86Å
3A44.8Very low70.1Confident94 Ų94111.9 Ų111.978%0.77761%0.605SS**  trans-59.6104.7163.200000105.5M1 L5M1-A3 PolarHBondContact O-N 3.24Å; A3-L5 PolarHBondContact O-N 2.94Å
4E53.3Low71.7Confident182 Ų182105.4 Ų105.485%0.8557%0.568SS**  trans-48.7113.8160.1-93.1-174115.800105.2A2 E6A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 2.86Å; E4-E6 VanDerWaalsContact C-N 3.26Å; E4-E6 PolarHBondContact O-N 3.43Å
5L53.7Low73Confident168 Ų168102.8 Ų102.888%0.8856%0.559SS**  trans-56.4100.6169.6-77.5160.1000105.2A3 Y7A3-L5 PolarHBondContact O-N 2.94Å; L5-Y7 PolarHBondContact O-N 3.12Å
6E65.3Low74.2Confident136 Ų136101.3 Ų101.364%0.63655%0.55SS**  trans-61.696.3174-79.5175.312000106.6E4 E8 K52E4-E6 VanDerWaalsContact C-N 3.26Å; E4-E6 PolarHBondContact O-N 3.43Å; E6-E8 PolarHBondContact O-N 3.46Å; E6-E8 VanDerWaalsContact O-N 3.15Å; E6-K52 HydrophobicContact CB-CD 4.49Å; E6-K52 HydrophobicContact CB-CG 4.18Å; E6-K52 VanDerWaalsContact OE1-CE 3.23Å; E6-K52 WeakPolarHBondContact OE1-CE 3.24Å; E6-K52 IonicContact OE1-NZ 2.67Å; E6-K52 PolarHBondContact OE1-NZ 3.5Å; E6-K52 WeakPolarHBondContact OE2-CE 3.31Å; E6-K52 IonicContact OE2-NZ 3.16Å; E6-K52 PolarHBondContact OE2-NZ 3.02Å
7Y78.6Confident75.3Confident185 Ų18595.5 Ų95.573%0.72552%0.519SS*.  trans-63.9116.4-177.3-170.4-97.3000108.1L5L5-Y7 PolarHBondContact O-N 3.12Å
8E85.9Confident76.4Confident93 Ų9391.2 Ų91.244%0.43550%0.497SS..EExtended strand (participates in β ladder)trans-98113173.8-171175.3152.800108.7E6 T50 S51 K59E6-E8 PolarHBondContact O-N 3.46Å; E6-E8 VanDerWaalsContact O-N 3.15Å; E8-T50 HydrophobicContact CG-CG2 4.46Å; E8-T50 VanDerWaalsContact OE1-CB 3.27Å; E8-T50 WeakPolarHBondContact OE1-CB 3.14Å; E8-T50 VanDerWaalsContact OE1-CG2 3.23Å; E8-T50 WeakPolarHBondContact OE1-CG2 3.41Å; E8-S51 CarbonylContact C-O 3.55Å; E8-S51 VanDerWaalsContact CA-O 3.23Å; E8-S51 WeakPolarHBondContact CA-O 3.42Å; E8-K59 IonicContact OE1-NZ 3.63Å; E8-K59 PolarHBondContact OE1-NZ 2.71Å; E8-K59 IonicContact OE2-NZ 3.23Å
9S87.4Confident77.3Confident42 Ų4286.6 Ų86.629%0.29447%0.472SS..EExtended strand (participates in β ladder)trans-103135.7175.8-173.20000110.4T50 S51S9-T50 CarbonylContact O-C 3.55Å; S9-T50 VanDerWaalsContact O-CA 3.3Å; S9-T50 WeakPolarHBondContact O-CA 3.17Å; S9-S51 PolarHBondContact N-O 3.26Å; S9-S51 WeakPolarHBondContact O-CB 3.33Å; S9-S51 PolarHBondContact O-N 2.77Å
10V90.9Very high78Confident76 Ų7683 Ų8346%0.46145%0.451SS..EExtended strand (participates in β ladder)trans-88.4115.1173.5-175.60000108.4V13 R48 I49 T50V10-V13 HydrophobicContact CG1-CG2 3.55Å; V10-R48 HydrophobicContact CG1-CG 4.08Å; V10-I49 CarbonylContact C-O 3.51Å; V10-T50 HydrophobicContact CG2-CG2 4.26Å
11L89.8Confident78.6Confident54 Ų5488.6 Ų88.628%0.28347%0.466SS..EExtended strand (participates in β ladder)trans-80.4-46-178.4-62173.8000111.6I49 H126L11-I49 HydrophobicContact CB-CB 4.26Å; L11-I49 HydrophobicContact CB-CG2 4.28Å; L11-I49 HydrophobicContact CD1-CG2 3.81Å; L11-I49 HydrophobicContact CG-CG2 4.5Å; L11-I49 PolarHBondContact N-O 3.25Å; L11-H126 HydrophobicContact CD1-CB 3.47Å; L11-H126 VanDerWaalsContact CD1-CB 3.47Å; L11-H126 HydrophobicContact CD2-CB 4.09Å; L11-H126 HydrophobicContact CG-CB 4.44Å
12C90.3Very high80.9Confident17 Ų1777.5 Ų77.512%0.11541%0.411CS..EExtended strand (participates in β ladder)trans-157.8153.9176.169.60000111.7I49C12-I49 PolarHBondContact O-N 3.41Å; C12-I49 WeakPolarHBondContact SG-CD1 3.49Å; C12-I49 WeakPolarHBondContact SG-CG1 3.18Å
13V92.6Very high82.7Confident64 Ų6477.5 Ų77.539%0.38840%0.403SS..EExtended strand (participates in β ladder)trans-130.3128174.3-169.20000108.3V10 R46 L47 R48V10-V13 HydrophobicContact CG1-CG2 3.55Å; V13-R46 HydrophobicContact CG1-CG 3.92Å; V13-L47 CarbonylContact C-O 3.49Å; V13-L47 WeakPolarHBondContact CA-O 3.18Å; V13-R48 HydrophobicContact CG2-CG 4.1Å
14K93.6Very high84Confident21 Ų2178.5 Ų78.59%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-122.3117.8179.5-61.6-59.3-173.5174.20109.3D16 R46 L47 F110 D115 D118K14-D16 VanDerWaalsContact C-N 3.34Å; K14-R46 CarbonylContact O-C 3.51Å; K14-R46 WeakPolarHBondContact O-CA 3.27Å; K14-R46 WeakPolarHBondContact O-CG 3.23Å; K14-L47 HydrophobicContact CB-CB 4.45Å; K14-L47 PolarHBondContact N-O 3.49Å; K14-L47 PolarHBondContact O-N 3.01Å; K14-F110 HydrophobicContact CB-CE1 4.13Å; K14-F110 HydrophobicContact CG-CE1 4.15Å; K14-D115 HydrophobicContact CD-CB 4.1Å; K14-D115 WeakPolarHBondContact CD-OD1 3.29Å; K14-D115 WeakPolarHBondContact CE-OD1 3.36Å; K14-D115 IonicContact NZ-OD1 2.72Å; K14-D115 PolarHBondContact NZ-OD1 3.43Å; K14-D118 IonicContact NZ-OD2 2.69Å; K14-D118 PolarHBondContact NZ-OD2 3.22Å
15P90.8Very high84.7Confident66 Ų6674.6 Ų74.643%0.42938%0.379SS..EExtended strand (participates in β ladder)trans-73.7-24.9-172.829.4-34.9000113.7G45P15-G45 CarbonylContact C-O 3.51Å; P15-G45 CarbonylContact O-C 3.57Å
16D92.2Very high84.9Confident79 Ų7971.7 Ų71.742%0.42238%0.38SS..EExtended strand (participates in β ladder)trans-118.997.5-174.2-66.5-64.7000110.7K14 T111K14-D16 VanDerWaalsContact C-N 3.34Å; D16-T111 HydrophobicContact CB-CG2 4.45Å
17V93.6Very high84.5Confident3 Ų369.1 Ų69.12%0.01838%0.377CS..EExtended strand (participates in β ladder)trans-128.4140.7170.268.70000110.4W43 T44 G45 L47 L60 I108 F110V17-W43 HydrophobicContact CG1-CZ3 4.14Å; V17-T44 CarbonylContact O-C 3.56Å; V17-T44 VanDerWaalsContact O-CA 3.27Å; V17-T44 WeakPolarHBondContact O-CA 3.23Å; V17-G45 VanDerWaalsContact CG1-O 3.23Å; V17-G45 WeakPolarHBondContact CG1-O 2.99Å; V17-G45 PolarHBondContact N-O 2.84Å; V17-G45 PolarHBondContact O-N 2.69Å; V17-L47 HydrophobicContact CB-CB 4.13Å; V17-L47 HydrophobicContact CG1-CB 3.82Å; V17-L47 HydrophobicContact CG2-CB 4.48Å; V17-L47 HydrophobicContact CG2-CD1 4.29Å; V17-L60 HydrophobicContact CG1-CD2 3.83Å; V17-I108 HydrophobicContact CG2-CB 4.1Å; V17-F110 HydrophobicContact CG2-CE1 4.35Å
18S93.8Very high83.9Confident18 Ų1867.5 Ų67.513%0.12638%0.38CS..EExtended strand (participates in β ladder)trans-107.9134.9171.8-65.60000109.6Y20 I108 G109S18-Y20 WeakPolarHBondContact CB-OH 3.3Å; S18-I108 CarbonylContact O-C 3.52Å; S18-I108 WeakPolarHBondContact O-CA 3.23Å; S18-G109 PolarHBondContact N-O 3.24Å; S18-G109 PolarHBondContact O-N 2.85Å
19V93.6Very high83.1Confident4 Ų471.9 Ų71.92%0.02439%0.393CS..EExtended strand (participates in β ladder)trans-108.9136.1176.8175.80000108.9D42 W43 L60 F69 I106 G107 I108V19-D42 PolarHBondContact O-N 2.85Å; V19-W43 HydrophobicContact CB-CB 4.2Å; V19-W43 HydrophobicContact CB-CE3 3.98Å; V19-W43 HydrophobicContact CG2-CD2 4.47Å; V19-W43 HydrophobicContact CG2-CE3 3.39Å; V19-W43 HydrophobicContact CG2-CZ3 3.81Å; V19-W43 PolarHBondContact N-O 3.23Å; V19-W43 PolarHBondContact O-N 3.3Å; V19-L60 HydrophobicContact CG2-CD1 3.86Å; V19-L60 HydrophobicContact CG2-CD2 4.14Å; V19-F69 HydrophobicContact CG1-CE1 4.41Å; V19-I106 HydrophobicContact CG1-CB 4.25Å; V19-I106 HydrophobicContact CG1-CD1 3.95Å; V19-G107 CarbonylContact C-O 3.48Å; V19-G107 VanDerWaalsContact CA-O 3.3Å; V19-G107 WeakPolarHBondContact CA-O 3.42Å; V19-I108 HydrophobicContact CG2-CG2 4.22Å
20Y92.8Very high82.5Confident13 Ų1371.2 Ų71.25%0.05139%0.393CS..EExtended strand (participates in β ladder)trans-125.5135.1-179.7-55.9-83.9000109S18 I22 W36 K37 L38 P41 Y91 G107S18-Y20 WeakPolarHBondContact CB-OH 3.3Å; Y20-I22 PolarHBondContact O-N 3.36Å; Y20-W36 HydrophobicContact CD2-CE3 4.36Å; Y20-W36 HydrophobicContact CG-CE3 4.45Å; Y20-K37 VanDerWaalsContact CD1-O 3.27Å; Y20-K37 WeakPolarHBondContact CD1-O 3.3Å; Y20-K37 WeakPolarHBondContact CE1-O 3.23Å; Y20-L38 HydrophobicContact CE1-CD2 4.29Å; Y20-L38 HydrophobicContact CE2-CD2 4.46Å; Y20-P41 HydrophobicContact CD1-CB 4.32Å; Y20-P41 HydrophobicContact CE1-CB 3.76Å; Y20-Y91 HydrophobicContact CE2-CD1 4.1Å; Y20-Y91 AromaticContact CE2-CE1 3.76Å; Y20-Y91 HydrophobicContact CE2-CE1 3.76Å; Y20-G107 PolarHBondContact N-O 2.9Å; Y20-G107 WeakPolarHBondContact O-CA 3.4Å; Y20-G107 PolarHBondContact O-N 2.8Å
21R88.9Confident82.2Confident201 Ų20168.5 Ų68.576%0.75838%0.375SS*.EExtended strand (participates in β ladder)trans-77.9124.6176.4-172.6176-177.9178.61.2110D42R21-D42 WeakPolarHBondContact CB-OD2 3.5Å; R21-D42 PolarHBondContact N-OD2 3.22Å
22I87.3Confident82.1Confident13 Ų1372.4 Ų72.47%0.06739%0.386CS..  trans-110.9135.7176.9-52.8170.5000108.9Y20 Y31 W36 V93Y20-I22 PolarHBondContact O-N 3.36Å; I22-Y31 HydrophobicContact CG2-CD1 4.01Å; I22-Y31 HydrophobicContact CG2-CE1 3.84Å; I22-W36 HydrophobicContact CD1-CD2 3.97Å; I22-W36 HydrophobicContact CD1-CE3 4.29Å; I22-W36 HydrophobicContact CD1-CH2 3.54Å; I22-W36 HydrophobicContact CD1-CZ2 3.16Å; I22-W36 HydrophobicContact CD1-CZ3 4.08Å; I22-W36 HydrophobicContact CG1-CD2 3.97Å; I22-W36 HydrophobicContact CG1-CE3 4.48Å; I22-W36 HydrophobicContact CG1-CG 4.35Å; I22-W36 HydrophobicContact CG1-CZ2 4.04Å; I22-V93 HydrophobicContact CD1-CB 4.24Å; I22-V93 HydrophobicContact CD1-CG1 3.97Å; I22-V93 HydrophobicContact CD1-CG2 3.44Å; I22-V93 VanDerWaalsContact CD1-CG2 3.44Å
23P77.4Confident81.8Confident98 Ų9871.6 Ų71.664%0.63638%0.381SS*.PPolyproline II helixtrans-58.3145170.9-22.833.1000111.9R25P23-R25 PolarHBondContact O-N 3.39Å
24P72.4Confident81.5Confident115 Ų11573 Ų7375%0.74739%0.393SS*.PPolyproline II helixtrans-54.7133.5171.8-23.132.9000110.9A26P24-A26 PolarHBondContact O-N 3.21Å; P24-A26 VanDerWaalsContact O-N 3.14Å
25R68.2Low81Confident100 Ų10077.3 Ų77.338%0.37742%0.417SS..PPolyproline II helixtrans-55.5116.6-175.6-171.2175.5-173.7163.63.8111.4P23 S27 N28 E83P23-R25 PolarHBondContact O-N 3.39Å; R25-S27 WeakPolarHBondContact CG-O 3.36Å; R25-S27 PolarHBondContact NE-O 3.32Å; R25-N28 PolarHBondContact NH2-O 3.32Å; R25-E83 IonicContact NH1-OE1 3.89Å; R25-E83 IonicContact NH1-OE2 3.22Å; R25-E83 PolarHBondContact NH1-OE2 3.42Å
26A57.5Low80.8Confident108 Ų10875.2 Ų75.289%0.89340%0.401SS*.  trans-94.3-12.1175.300000113.5P24P24-A26 PolarHBondContact O-N 3.21Å; P24-A26 VanDerWaalsContact O-N 3.14Å
27S56.2Low80.3Confident82 Ų8279 Ų7957%0.57341%0.413SS*.SBendtrans-154.2160.8-175.5-168.50000112.4R25 R29R25-S27 WeakPolarHBondContact CG-O 3.36Å; R25-S27 PolarHBondContact NE-O 3.32Å; S27-R29 PolarHBondContact O-N 3.24Å
28N66.2Low79.8Confident150 Ų15081.8 Ų81.880%0.80243%0.428SS*.SBendtrans-68.72179.1-82.3-0.1000114.6R25 G30R25-N28 PolarHBondContact NH2-O 3.32Å; N28-G30 PolarHBondContact O-N 3.05Å
29R70.5Confident79.3Confident185 Ų18587.9 Ų87.970%0.69846%0.459SS*.PPolyproline II helixtrans-62131.3173.8-164.3160.973.2-165.17.1110.2S27S27-R29 PolarHBondContact O-N 3.24Å
30G75Confident78.8Confident29 Ų2994.2 Ų94.230%0.29949%0.488SS..PPolyproline II helixtrans-64154.7177.200000111.9N28N28-G30 PolarHBondContact O-N 3.05Å
31Y84.4Confident78.6Confident18 Ų1895.9 Ų95.97%0.07150%0.501CS..PPolyproline II helixtrans-68.6137.8-179.7-64-78.5000111.9I22 E83 T86 V93I22-Y31 HydrophobicContact CG2-CD1 4.01Å; I22-Y31 HydrophobicContact CG2-CE1 3.84Å; Y31-E83 HydrophobicContact CD2-CB 4.34Å; Y31-E83 VanDerWaalsContact CD2-CD 3.47Å; Y31-E83 HydrophobicContact CD2-CG 4.11Å; Y31-E83 VanDerWaalsContact CD2-OE1 3.26Å; Y31-E83 WeakPolarHBondContact CD2-OE1 3.39Å; Y31-E83 HydrophobicContact CE2-CB 4.46Å; Y31-E83 HydrophobicContact CE2-CG 4.46Å; Y31-T86 PolarHBondContact O-N 2.76Å; Y31-V93 HydrophobicContact CD1-CG2 3.96Å; Y31-V93 HydrophobicContact CD2-CB 3.99Å; Y31-V93 HydrophobicContact CD2-CG1 4.28Å; Y31-V93 HydrophobicContact CD2-CG2 3.57Å; Y31-V93 HydrophobicContact CE1-CG1 4.43Å; Y31-V93 HydrophobicContact CE1-CG2 4.41Å; Y31-V93 HydrophobicContact CE2-CB 4.08Å; Y31-V93 HydrophobicContact CE2-CG1 3.89Å; Y31-V93 HydrophobicContact CE2-CG2 4.06Å; Y31-V93 HydrophobicContact CG-CB 4.4Å; Y31-V93 HydrophobicContact CG-CG2 3.52Å
32R86.6Confident78.7Confident136 Ų13690.9 Ų90.951%0.51349%0.489SS..  trans-119130171.8-64.5-174.4175.6-146.6-2.1109.5S34 D35 W36 D87R32-S34 PolarHBondContact O-N 2.83Å; R32-D35 PolarHBondContact O-N 2.94Å; R32-W36 PolarHBondContact O-NE1 2.77Å; R32-W36 VanDerWaalsContact O-NE1 3.17Å; R32-D87 WeakPolarHBondContact CA-OD1 3.48Å
33A85.4Confident79Confident1 Ų192.3 Ų92.31%0.00849%0.494CS..G310 helixtrans-67.3-27.5178.200000111.1D35 W36 L38 V85 D87 Y91A33-D35 PolarHBondContact O-N 2.97Å; A33-W36 WeakPolarHBondContact O-CB 3.41Å; A33-W36 PolarHBondContact O-N 2.81Å; A33-L38 HydrophobicContact CB-CD1 4.31Å; A33-L38 HydrophobicContact CB-CD2 4.41Å; A33-V85 HydrophobicContact CB-CG1 3.73Å; A33-D87 PolarHBondContact N-OD1 2.8Å; A33-D87 PolarHBondContact N-OD2 2.93Å; A33-Y91 HydrophobicContact CB-CD2 3.37Å; A33-Y91 HydrophobicContact CB-CE2 4.03Å; A33-Y91 HydrophobicContact CB-CG 3.89Å
34S85.7Confident79.7Confident93 Ų9390.5 Ų90.565%0.6548%0.481SS*.G310 helixtrans-59.8-24.3174.4-56.10000113.6R32 W36 D87R32-S34 PolarHBondContact O-N 2.83Å; S34-W36 VanDerWaalsContact C-N 3.26Å; S34-D87 PolarHBondContact N-OD2 2.73Å; S34-D87 VanDerWaalsContact N-OD2 3.07Å; S34-D87 PolarHBondContact OG-OD2 2.67Å
35D83.7Confident80.7Confident111 Ų11185.1 Ų85.159%0.59445%0.447SS*.G310 helixtrans-81.7-6.3176.5-65.5-33.4000112.1R32 A33R32-D35 PolarHBondContact O-N 2.94Å; A33-D35 PolarHBondContact O-N 2.97Å
36W85.5Confident81.9Confident23 Ų2384.7 Ų84.79%0.08745%0.445CS..SBendtrans-99.8159.5-175.5-52.9-5.1000111.3Y20 I22 R32 A33 S34 L38 V85 Y91 V93Y20-W36 HydrophobicContact CD2-CE3 4.36Å; Y20-W36 HydrophobicContact CG-CE3 4.45Å; I22-W36 HydrophobicContact CD1-CD2 3.97Å; I22-W36 HydrophobicContact CD1-CE3 4.29Å; I22-W36 HydrophobicContact CD1-CH2 3.54Å; I22-W36 HydrophobicContact CD1-CZ2 3.16Å; I22-W36 HydrophobicContact CD1-CZ3 4.08Å; I22-W36 HydrophobicContact CG1-CD2 3.97Å; I22-W36 HydrophobicContact CG1-CE3 4.48Å; I22-W36 HydrophobicContact CG1-CG 4.35Å; I22-W36 HydrophobicContact CG1-CZ2 4.04Å; R32-W36 PolarHBondContact O-NE1 2.77Å; R32-W36 VanDerWaalsContact O-NE1 3.17Å; A33-W36 WeakPolarHBondContact O-CB 3.41Å; A33-W36 PolarHBondContact O-N 2.81Å; S34-W36 VanDerWaalsContact C-N 3.26Å; W36-L38 VanDerWaalsContact C-N 3.26Å; W36-L38 HydrophobicContact CB-CD2 4.25Å; W36-L38 PolarHBondContact O-N 3.15Å; W36-V85 HydrophobicContact CH2-CG2 3.28Å; W36-V85 HydrophobicContact CZ2-CG2 3.59Å; W36-V85 HydrophobicContact CZ3-CG2 4.16Å; W36-Y91 HydrophobicContact CZ3-CD1 4.43Å; W36-Y91 HydrophobicContact CZ3-CG 4.39Å; W36-V93 HydrophobicContact CH2-CG2 3.43Å; W36-V93 VanDerWaalsContact CH2-CG2 3.43Å; W36-V93 HydrophobicContact CZ2-CG2 3.31Å
37K82Confident83.7Confident158 Ų15879.5 Ų79.569%0.68740%0.402SS*.  trans-78.671.3175.1-67.1-176.4178.2-175.70111.3Y20 D39 Q40Y20-K37 VanDerWaalsContact CD1-O 3.27Å; Y20-K37 WeakPolarHBondContact CD1-O 3.3Å; Y20-K37 WeakPolarHBondContact CE1-O 3.23Å; K37-D39 PolarHBondContact O-N 2.93Å; K37-Q40 CarbonylContact O-C 3.47Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-Q40 VanDerWaalsContact O-O 3.1Å
38L82.4Confident85.5Confident61 Ų6179.2 Ų79.232%0.31939%0.389SS..THydrogen-bonded Turntrans-64-24.5-179.1-60.4-177.1000113.7Y20 A33 W36 Y91Y20-L38 HydrophobicContact CE1-CD2 4.29Å; Y20-L38 HydrophobicContact CE2-CD2 4.46Å; A33-L38 HydrophobicContact CB-CD1 4.31Å; A33-L38 HydrophobicContact CB-CD2 4.41Å; W36-L38 VanDerWaalsContact C-N 3.26Å; W36-L38 HydrophobicContact CB-CD2 4.25Å; W36-L38 PolarHBondContact O-N 3.15Å; L38-Y91 HydrophobicContact CD1-CE2 4.01Å; L38-Y91 HydrophobicContact CD2-CD1 4.21Å; L38-Y91 HydrophobicContact CD2-CD2 4.48Å; L38-Y91 HydrophobicContact CD2-CE1 3.69Å; L38-Y91 HydrophobicContact CD2-CE2 4Å
39D83.6Confident86.8Confident146 Ų14672.1 Ų72.178%0.78135%0.35SS*.THydrogen-bonded Turntrans-69.1-33.6179-171.773.7000113K37K37-D39 PolarHBondContact O-N 2.93Å
40Q84.3Confident87.8Confident137 Ų13763.3 Ų63.364%0.6432%0.317SS*.SBendtrans-130.795.7-178.3-68.8-170.2-4.900109.7K37 D42K37-Q40 CarbonylContact O-C 3.47Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-Q40 VanDerWaalsContact O-O 3.1Å; Q40-D42 PolarHBondContact O-N 2.8Å
41P88.4Confident88.4Confident49 Ų4962.6 Ų62.632%0.31831%0.308SS..  trans-62.3132.9171.727.7-33.3000109.6Y20 W43 T44Y20-P41 HydrophobicContact CD1-CB 4.32Å; Y20-P41 HydrophobicContact CE1-CB 3.76Å; P41-W43 PolarHBondContact O-N 2.9Å; P41-T44 HydrophobicContact CB-CG2 3.94Å; P41-T44 HydrophobicContact CG-CG2 3.7Å
42D90.9Very high88.6Confident96 Ų9664.6 Ų64.651%0.51332%0.317SS..SBendtrans-63.3-31.8176.7-70-100.3000111.1V19 R21 Q40V19-D42 PolarHBondContact O-N 2.85Å; R21-D42 WeakPolarHBondContact CB-OD2 3.5Å; R21-D42 PolarHBondContact N-OD2 3.22Å; Q40-D42 PolarHBondContact O-N 2.8Å
43W92.8Very high88.4Confident42 Ų4260.4 Ų60.416%0.15932%0.316CS..EExtended strand (participates in β ladder)trans-154.3152.7177.4178.992.5000110.8V17 V19 P41 L60 E61 D62 F69V17-W43 HydrophobicContact CG1-CZ3 4.14Å; V19-W43 HydrophobicContact CB-CB 4.2Å; V19-W43 HydrophobicContact CB-CE3 3.98Å; V19-W43 HydrophobicContact CG2-CD2 4.47Å; V19-W43 HydrophobicContact CG2-CE3 3.39Å; V19-W43 HydrophobicContact CG2-CZ3 3.81Å; V19-W43 PolarHBondContact N-O 3.23Å; V19-W43 PolarHBondContact O-N 3.3Å; P41-W43 PolarHBondContact O-N 2.9Å; W43-L60 HydrophobicContact CH2-CB 4.01Å; W43-L60 HydrophobicContact CZ3-CB 4.09Å; W43-L60 HydrophobicContact CZ3-CD2 4.1Å; W43-E61 VanDerWaalsContact CH2-O 3.23Å; W43-E61 WeakPolarHBondContact CH2-O 3.41Å; W43-D62 HydrophobicContact CZ2-CB 4.22Å; W43-F69 HydrophobicContact CB-CE1 4.44Å; W43-F69 HydrophobicContact CB-CZ 4.24Å; W43-F69 AromaticContact CD1-CD2 3.89Å; W43-F69 AromaticContact CD1-CE2 3.98Å; W43-F69 HydrophobicContact CD2-CD1 4.15Å; W43-F69 HydrophobicContact CD2-CD2 4.45Å; W43-F69 HydrophobicContact CD2-CE1 4.5Å; W43-F69 HydrophobicContact CD2-CG 4.12Å; W43-F69 AromaticContact CE2-CG 3.85Å; W43-F69 HydrophobicContact CE3-CD1 4.41Å; W43-F69 HydrophobicContact CG-CD1 4.42Å; W43-F69 HydrophobicContact CG-CD2 4.27Å; W43-F69 HydrophobicContact CG-CE1 4.37Å; W43-F69 HydrophobicContact CG-CE2 4.22Å; W43-F69 HydrophobicContact CG-CG 4.36Å; W43-F69 HydrophobicContact CG-CZ 4.27Å; W43-F69 HydrophobicContact CH2-CB 4.2Å; W43-F69 HydrophobicContact CZ2-CB 3.67Å; W43-F69 HydrophobicContact CZ2-CG 4.16Å; W43-F69 AromaticContact NE1-CD2 3.81Å
44T92.6Very high88.2Confident61 Ų6166 Ų6637%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-136.5140.7174.162.90000110V17 P41V17-T44 CarbonylContact O-C 3.56Å; V17-T44 VanDerWaalsContact O-CA 3.27Å; V17-T44 WeakPolarHBondContact O-CA 3.23Å; P41-T44 HydrophobicContact CB-CG2 3.94Å; P41-T44 HydrophobicContact CG-CG2 3.7Å
45G93.4Very high88.2Confident2 Ų263.8 Ų63.82%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-174-149.8178.800000112.2P15 V17P15-G45 CarbonylContact C-O 3.51Å; P15-G45 CarbonylContact O-C 3.57Å; V17-G45 VanDerWaalsContact CG1-O 3.23Å; V17-G45 WeakPolarHBondContact CG1-O 2.99Å; V17-G45 PolarHBondContact N-O 2.84Å; V17-G45 PolarHBondContact O-N 2.69Å
46R93.6Very high88.5Confident90 Ų9058.5 Ų58.534%0.3429%0.292SS..EExtended strand (participates in β ladder)trans-103.3139.3179.8179.8-176.5-61.1-162.24.9110.2V13 K14 E61V13-R46 HydrophobicContact CG1-CG 3.92Å; K14-R46 CarbonylContact O-C 3.51Å; K14-R46 WeakPolarHBondContact O-CA 3.27Å; K14-R46 WeakPolarHBondContact O-CG 3.23Å; R46-E61 WeakPolarHBondContact CA-O 3.41Å; R46-E61 PolarHBondContact N-O 3.27Å; R46-E61 PolarHBondContact O-N 2.66Å; R46-E61 VanDerWaalsContact O-O 3.06Å
47L94.4Very high88.8Confident0 Ų059.8 Ų59.80%030%0.297CS..EExtended strand (participates in β ladder)trans-106134.2171.2-177.7143.6000109.8V13 K14 V17 I49 I58 L60 I108 F110 F119V13-L47 CarbonylContact C-O 3.49Å; V13-L47 WeakPolarHBondContact CA-O 3.18Å; K14-L47 HydrophobicContact CB-CB 4.45Å; K14-L47 PolarHBondContact N-O 3.49Å; K14-L47 PolarHBondContact O-N 3.01Å; V17-L47 HydrophobicContact CB-CB 4.13Å; V17-L47 HydrophobicContact CG1-CB 3.82Å; V17-L47 HydrophobicContact CG2-CB 4.48Å; V17-L47 HydrophobicContact CG2-CD1 4.29Å; L47-I49 HydrophobicContact CD2-CD1 4.22Å; L47-I49 HydrophobicContact CD2-CG1 3.64Å; L47-I58 HydrophobicContact CD1-CG2 3.73Å; L47-I58 HydrophobicContact CD2-CG2 4.33Å; L47-I58 HydrophobicContact CG-CG2 3.93Å; L47-L60 HydrophobicContact CB-CD2 4.2Å; L47-L60 HydrophobicContact CD1-CD2 3.93Å; L47-L60 HydrophobicContact CG-CD2 4.31Å; L47-I108 HydrophobicContact CD1-CD1 3.86Å; L47-F110 HydrophobicContact CD1-CZ 4.21Å; L47-F119 HydrophobicContact CD1-CD2 4.24Å; L47-F119 HydrophobicContact CD1-CE2 4.06Å; L47-F119 HydrophobicContact CD2-CD2 3.81Å; L47-F119 HydrophobicContact CD2-CE2 4.13Å
48R93.8Very high89.3Confident76 Ų7652.3 Ų52.329%0.28727%0.265SS..EExtended strand (participates in β ladder)trans-129.6121.9176.7-174177.8-50.8-164.28.2109.3V10 V13 T50 K59 E61V10-R48 HydrophobicContact CG1-CG 4.08Å; V13-R48 HydrophobicContact CG2-CG 4.1Å; R48-T50 HydrophobicContact CG-CG2 3.95Å; R48-K59 HydrophobicContact CB-CB 4.42Å; R48-K59 PolarHBondContact N-O 3.44Å; R48-K59 PolarHBondContact O-N 2.78Å; R48-E61 IonicContact CZ-OE1 3.78Å; R48-E61 IonicContact CZ-OE2 2.67Å; R48-E61 IonicContact NE-OE1 2.75Å; R48-E61 PolarHBondContact NE-OE1 3.18Å; R48-E61 IonicContact NE-OE2 3.59Å; R48-E61 PolarHBondContact NE-OE2 2.89Å; R48-E61 IonicContact NH2-OE1 3.45Å; R48-E61 IonicContact NH2-OE2 3.18Å; R48-E61 PolarHBondContact NH2-OE2 3.43Å
49I92.9Very high89.8Confident0 Ų051.2 Ų51.20%026%0.258CS..EExtended strand (participates in β ladder)trans-98.5123.9173.2-48-175.3000108.2V10 L11 C12 L47 I58 F119 L123V10-I49 CarbonylContact C-O 3.51Å; L11-I49 HydrophobicContact CB-CB 4.26Å; L11-I49 HydrophobicContact CB-CG2 4.28Å; L11-I49 HydrophobicContact CD1-CG2 3.81Å; L11-I49 HydrophobicContact CG-CG2 4.5Å; L11-I49 PolarHBondContact N-O 3.25Å; C12-I49 PolarHBondContact O-N 3.41Å; C12-I49 WeakPolarHBondContact SG-CD1 3.49Å; C12-I49 WeakPolarHBondContact SG-CG1 3.18Å; L47-I49 HydrophobicContact CD2-CD1 4.22Å; L47-I49 HydrophobicContact CD2-CG1 3.64Å; I49-I58 HydrophobicContact CG1-CG1 4.33Å; I49-I58 HydrophobicContact CG2-CG1 4.35Å; I49-F119 HydrophobicContact CD1-CD2 3.48Å; I49-F119 VanDerWaalsContact CD1-CD2 3.48Å; I49-F119 HydrophobicContact CD1-CE2 3.69Å; I49-F119 HydrophobicContact CD1-CG 4.43Å; I49-F119 HydrophobicContact CG1-CD2 4.32Å; I49-F119 HydrophobicContact CG1-CE2 4.38Å; I49-L123 HydrophobicContact CD1-CD1 4.37Å; I49-L123 HydrophobicContact CD1-CD2 4.06Å; I49-L123 HydrophobicContact CD1-CG 3.87Å; I49-L123 HydrophobicContact CG2-CD2 3.86Å
50T91.9Very high90.3Very high0 Ų044.3 Ų44.30%022%0.221CC..EExtended strand (participates in β ladder)trans-118.3143.5178.7550000108.6E8 S9 V10 R48 A56 Y57 K59E8-T50 HydrophobicContact CG-CG2 4.46Å; E8-T50 VanDerWaalsContact OE1-CB 3.27Å; E8-T50 WeakPolarHBondContact OE1-CB 3.14Å; E8-T50 VanDerWaalsContact OE1-CG2 3.23Å; E8-T50 WeakPolarHBondContact OE1-CG2 3.41Å; S9-T50 CarbonylContact O-C 3.55Å; S9-T50 VanDerWaalsContact O-CA 3.3Å; S9-T50 WeakPolarHBondContact O-CA 3.17Å; V10-T50 HydrophobicContact CG2-CG2 4.26Å; R48-T50 HydrophobicContact CG-CG2 3.95Å; T50-A56 CarbonylContact O-C 3.53Å; T50-A56 WeakPolarHBondContact O-CA 3.2Å; T50-Y57 PolarHBondContact N-O 3.38Å; T50-Y57 PolarHBondContact O-N 2.96Å; T50-Y57 WeakPolarHBondContact OG1-CB 3.34Å; T50-Y57 PolarHBondContact OG1-O 2.99Å; T50-K59 HydrophobicContact CG2-CD 4.23Å; T50-K59 WeakPolarHBondContact OG1-CE 3.4Å
51S88.9Confident90.7Very high14 Ų1439 Ų3910%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-113.5124.2-177.9144.90000105.7E8 S9 H126E8-S51 CarbonylContact C-O 3.55Å; E8-S51 VanDerWaalsContact CA-O 3.23Å; E8-S51 WeakPolarHBondContact CA-O 3.42Å; S9-S51 PolarHBondContact N-O 3.26Å; S9-S51 WeakPolarHBondContact O-CB 3.33Å; S9-S51 PolarHBondContact O-N 2.77Å; S51-H126 WeakPolarHBondContact CB-NE2 3.4Å; S51-H126 PolarHBondContact OG-CD2 2.84Å; S51-H126 PolarHBondContact OG-NE2 2.77Å
52K87.3Confident90.9Very high60 Ų6038.5 Ų38.526%0.26119%0.191SC..EExtended strand (participates in β ladder)trans-130.797.9178.3-173.4-173-179.5-164.40108.1E6 K54 I55 Y57E6-K52 HydrophobicContact CB-CD 4.49Å; E6-K52 HydrophobicContact CB-CG 4.18Å; E6-K52 VanDerWaalsContact OE1-CE 3.23Å; E6-K52 WeakPolarHBondContact OE1-CE 3.24Å; E6-K52 IonicContact OE1-NZ 2.67Å; E6-K52 PolarHBondContact OE1-NZ 3.5Å; E6-K52 WeakPolarHBondContact OE2-CE 3.31Å; E6-K52 IonicContact OE2-NZ 3.16Å; E6-K52 PolarHBondContact OE2-NZ 3.02Å; K52-K54 PolarHBondContact O-N 2.71Å; K52-K54 VanDerWaalsContact O-N 3.11Å; K52-I55 PolarHBondContact N-O 2.79Å; K52-I55 PolarHBondContact O-N 2.8Å; K52-I55 VanDerWaalsContact O-N 3.15Å; K52-Y57 HydrophobicContact CB-CD2 3.91Å; K52-Y57 HydrophobicContact CB-CE2 3.74Å; K52-Y57 HydrophobicContact CD-CE2 4.06Å; K52-Y57 HydrophobicContact CG-CE2 4.47Å
53G82.9Confident90.8Very high49 Ų4939.4 Ų39.451%0.50519%0.19SC..THydrogen-bonded Turntrans57-113.6-171.700000111.3
54K81.3Confident90.6Very high119 Ų11943.3 Ų43.352%0.51722%0.218SC..THydrogen-bonded Turntrans-90.5-9.2-175.9-57.1179.1-174.1179.60114K52 V130K52-K54 PolarHBondContact O-N 2.71Å; K52-K54 VanDerWaalsContact O-N 3.11Å; K54-V130 HydrophobicContact CB-CG1 3.81Å; K54-V130 HydrophobicContact CG-CG1 4.12Å
55I86Confident90.3Very high45 Ų4544 Ų4423%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-110.5132.2-173.2-54.6178.9000108.5K52 Y57 P73 V74 E75K52-I55 PolarHBondContact N-O 2.79Å; K52-I55 PolarHBondContact O-N 2.8Å; K52-I55 VanDerWaalsContact O-N 3.15Å; I55-Y57 HydrophobicContact CB-CE2 3.89Å; I55-Y57 HydrophobicContact CG2-CD2 4.17Å; I55-Y57 HydrophobicContact CG2-CE1 4.29Å; I55-Y57 HydrophobicContact CG2-CE2 3.67Å; I55-P73 HydrophobicContact CG2-CB 4.3Å; I55-V74 WeakPolarHBondContact CG2-O 3.4Å; I55-E75 HydrophobicContact CD1-CG 4.18Å; I55-E75 HydrophobicContact CG1-CG 4.17Å; I55-E75 HydrophobicContact CG2-CG 4.19Å
56A89.4Confident90Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-94135.5168.600000109.6T50 V74 L123 F127T50-A56 CarbonylContact O-C 3.53Å; T50-A56 WeakPolarHBondContact O-CA 3.2Å; A56-V74 HydrophobicContact CB-CB 4.33Å; A56-V74 PolarHBondContact N-O 2.78Å; A56-V74 WeakPolarHBondContact O-CA 3.29Å; A56-V74 WeakPolarHBondContact O-CB 3.22Å; A56-V74 PolarHBondContact O-N 3.35Å; A56-L123 HydrophobicContact CB-CD2 4.1Å; A56-F127 HydrophobicContact CB-CE2 3.96Å; A56-F127 HydrophobicContact CB-CZ 3.75Å
57Y91.1Very high89.9Confident50 Ų5048.5 Ų48.520%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-115.6116.4177.4-68-86.8000109.5T50 K52 I55 Q71 P73T50-Y57 PolarHBondContact N-O 3.38Å; T50-Y57 PolarHBondContact O-N 2.96Å; T50-Y57 WeakPolarHBondContact OG1-CB 3.34Å; T50-Y57 PolarHBondContact OG1-O 2.99Å; K52-Y57 HydrophobicContact CB-CD2 3.91Å; K52-Y57 HydrophobicContact CB-CE2 3.74Å; K52-Y57 HydrophobicContact CD-CE2 4.06Å; K52-Y57 HydrophobicContact CG-CE2 4.47Å; I55-Y57 HydrophobicContact CB-CE2 3.89Å; I55-Y57 HydrophobicContact CG2-CD2 4.17Å; I55-Y57 HydrophobicContact CG2-CE1 4.29Å; I55-Y57 HydrophobicContact CG2-CE2 3.67Å; Y57-Q71 HydrophobicContact CD1-CG 4.12Å; Y57-P73 HydrophobicContact CD1-CB 3.82Å; Y57-P73 HydrophobicContact CE1-CB 3.68Å
58I93.3Very high89.7Confident1 Ų152.3 Ų52.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-89.7115.4171.5-55.6162.2000107L47 I49 Q71 A72 V74 V82 I94 F119 L123L47-I58 HydrophobicContact CD1-CG2 3.73Å; L47-I58 HydrophobicContact CD2-CG2 4.33Å; L47-I58 HydrophobicContact CG-CG2 3.93Å; I49-I58 HydrophobicContact CG1-CG1 4.33Å; I49-I58 HydrophobicContact CG2-CG1 4.35Å; I58-Q71 CarbonylContact O-C 3.59Å; I58-Q71 WeakPolarHBondContact O-CA 3.13Å; I58-A72 HydrophobicContact CB-CB 4.19Å; I58-A72 PolarHBondContact N-O 2.75Å; I58-A72 PolarHBondContact O-N 2.7Å; I58-V74 HydrophobicContact CD1-CG2 3.7Å; I58-V74 HydrophobicContact CG1-CG2 4.22Å; I58-V82 HydrophobicContact CD1-CG2 3.85Å; I58-I94 HydrophobicContact CD1-CG2 4.25Å; I58-I94 HydrophobicContact CG2-CD1 4.19Å; I58-F119 HydrophobicContact CD1-CE2 3.93Å; I58-F119 HydrophobicContact CD1-CZ 3.86Å; I58-F119 HydrophobicContact CG1-CE2 4.32Å; I58-F119 HydrophobicContact CG2-CE2 4.34Å; I58-L123 HydrophobicContact CD1-CD1 4.12Å; I58-L123 HydrophobicContact CD1-CD2 4.4Å; I58-L123 HydrophobicContact CG1-CD2 4.36Å
59K93Very high89.5Confident39 Ų3953.9 Ų53.917%0.1729%0.291CS..EExtended strand (participates in β ladder)trans-105.9125.7178.9-65.4175.2-178172.80108.6E8 R48 T50 L68 Q71E8-K59 IonicContact OE1-NZ 3.63Å; E8-K59 PolarHBondContact OE1-NZ 2.71Å; E8-K59 IonicContact OE2-NZ 3.23Å; R48-K59 HydrophobicContact CB-CB 4.42Å; R48-K59 PolarHBondContact N-O 3.44Å; R48-K59 PolarHBondContact O-N 2.78Å; T50-K59 HydrophobicContact CG2-CD 4.23Å; T50-K59 WeakPolarHBondContact OG1-CE 3.4Å; K59-L68 HydrophobicContact CB-CD1 3.67Å; K59-L68 HydrophobicContact CD-CD1 4.48Å; K59-L68 HydrophobicContact CG-CD1 3.98Å; K59-Q71 HydrophobicContact CG-CG 4.29Å
60L93.3Very high89.3Confident1 Ų154.4 Ų54.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-98.9119.4171.7-69.7165.7000107.4V17 V19 W43 L47 L68 F69 A70 I94 I106 I108V17-L60 HydrophobicContact CG1-CD2 3.83Å; V19-L60 HydrophobicContact CG2-CD1 3.86Å; V19-L60 HydrophobicContact CG2-CD2 4.14Å; W43-L60 HydrophobicContact CH2-CB 4.01Å; W43-L60 HydrophobicContact CZ3-CB 4.09Å; W43-L60 HydrophobicContact CZ3-CD2 4.1Å; L47-L60 HydrophobicContact CB-CD2 4.2Å; L47-L60 HydrophobicContact CD1-CD2 3.93Å; L47-L60 HydrophobicContact CG-CD2 4.31Å; L60-L68 CarbonylContact O-C 3.56Å; L60-F69 HydrophobicContact CB-CB 4.38Å; L60-F69 PolarHBondContact O-N 3.15Å; L60-A70 HydrophobicContact CD1-CB 4.19Å; L60-A70 PolarHBondContact N-O 2.85Å; L60-A70 PolarHBondContact O-N 3.11Å; L60-I94 HydrophobicContact CD1-CD1 4.22Å; L60-I106 HydrophobicContact CD1-CD1 3.44Å; L60-I106 VanDerWaalsContact CD1-CD1 3.44Å; L60-I108 HydrophobicContact CD1-CG2 4.4Å; L60-I108 HydrophobicContact CD2-CG2 4.49Å
61E93.8Very high89.3Confident24 Ų2457.4 Ų57.411%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-123.8142.3-175.9-64.6171.8176.300109.9W43 R46 R48 E67 L68W43-E61 VanDerWaalsContact CH2-O 3.23Å; W43-E61 WeakPolarHBondContact CH2-O 3.41Å; R46-E61 WeakPolarHBondContact CA-O 3.41Å; R46-E61 PolarHBondContact N-O 3.27Å; R46-E61 PolarHBondContact O-N 2.66Å; R46-E61 VanDerWaalsContact O-O 3.06Å; R48-E61 IonicContact CZ-OE1 3.78Å; R48-E61 IonicContact CZ-OE2 2.67Å; R48-E61 IonicContact NE-OE1 2.75Å; R48-E61 PolarHBondContact NE-OE1 3.18Å; R48-E61 IonicContact NE-OE2 3.59Å; R48-E61 PolarHBondContact NE-OE2 2.89Å; R48-E61 IonicContact NH2-OE1 3.45Å; R48-E61 IonicContact NH2-OE2 3.18Å; R48-E61 PolarHBondContact NH2-OE2 3.43Å; E61-E67 CarbonylContact C-O 3.5Å; E61-E67 VanDerWaalsContact CA-O 3.24Å; E61-E67 WeakPolarHBondContact CA-O 3.49Å; E61-L68 HydrophobicContact CG-CD1 4.33Å
62D93Very high89.4Confident40 Ų4056.8 Ų56.821%0.21431%0.305CS..  trans-66.7139.6173.3173.734.5000110.7W43 V64 S65 G66 E67W43-D62 HydrophobicContact CZ2-CB 4.22Å; D62-V64 VanDerWaalsContact C-N 3.26Å; D62-V64 PolarHBondContact O-N 3.39Å; D62-V64 PolarHBondContact OD1-N 3.37Å; D62-S65 WeakPolarHBondContact CB-OG 3.05Å; D62-S65 WeakPolarHBondContact OD2-CB 3.3Å; D62-S65 PolarHBondContact OD2-N 2.98Å; D62-S65 PolarHBondContact OD2-OG 2.67Å; D62-G66 VanDerWaalsContact O-CA 3.22Å; D62-G66 WeakPolarHBondContact O-CA 3.32Å; D62-G66 PolarHBondContact O-N 3.45Å; D62-E67 PolarHBondContact N-O 2.69Å
63K88.4Confident89.6Confident115 Ų11554.6 Ų54.650%0.530%0.297SS..THydrogen-bonded Turntrans-69.2-24.7-178.272-174.7-179.6-168.10112.9
64V88.5Confident89.8Confident124 Ų12452.3 Ų52.375%0.75227%0.273SS*.THydrogen-bonded Turntrans-94.6-55.3-176.2-173.70000111.1D62D62-V64 VanDerWaalsContact C-N 3.26Å; D62-V64 PolarHBondContact O-N 3.39Å; D62-V64 PolarHBondContact OD1-N 3.37Å
65S86.9Confident89.9Confident74 Ų7452.7 Ų52.752%0.51728%0.277SS..THydrogen-bonded Turntrans-87.3-22.9-17660.20000113.9D62 E67D62-S65 WeakPolarHBondContact CB-OG 3.05Å; D62-S65 WeakPolarHBondContact OD2-CB 3.3Å; D62-S65 PolarHBondContact OD2-N 2.98Å; D62-S65 PolarHBondContact OD2-OG 2.67Å; S65-E67 PolarHBondContact O-N 3.03Å; S65-E67 WeakPolarHBondContact OG-CB 3.37Å; S65-E67 PolarHBondContact OG-N 3.18Å
66G86.1Confident89.4Confident45 Ų4557.3 Ų57.346%0.46430%0.297SS..  trans71.312-169.500000113.6D62D62-G66 VanDerWaalsContact O-CA 3.22Å; D62-G66 WeakPolarHBondContact O-CA 3.32Å; D62-G66 PolarHBondContact O-N 3.45Å
67E91.3Very high88.7Confident142 Ų14259.3 Ų59.366%0.66431%0.305SS*.  trans-67.5130.9178.8-173.8175.9-178.300110.9E61 D62 S65 F69E61-E67 CarbonylContact C-O 3.5Å; E61-E67 VanDerWaalsContact CA-O 3.24Å; E61-E67 WeakPolarHBondContact CA-O 3.49Å; D62-E67 PolarHBondContact N-O 2.69Å; S65-E67 PolarHBondContact O-N 3.03Å; S65-E67 WeakPolarHBondContact OG-CB 3.37Å; S65-E67 PolarHBondContact OG-N 3.18Å; E67-F69 PolarHBondContact O-N 2.87Å
68L90.3Very high88Confident80 Ų8062.1 Ų62.142%0.41933%0.33SS..EExtended strand (participates in β ladder)trans-70.2109.1175.6-177.476.2000109.3K59 L60 E61K59-L68 HydrophobicContact CB-CD1 3.67Å; K59-L68 HydrophobicContact CD-CD1 4.48Å; K59-L68 HydrophobicContact CG-CD1 3.98Å; L60-L68 CarbonylContact O-C 3.56Å; E61-L68 HydrophobicContact CG-CD1 4.33Å
69F89.1Confident87.2Confident109 Ų10963.4 Ų63.448%0.47834%0.343SS..EExtended strand (participates in β ladder)trans-77.4-47.9176.4179.8-104.6000111.8V19 W43 L60 E67V19-F69 HydrophobicContact CG1-CE1 4.41Å; W43-F69 HydrophobicContact CB-CE1 4.44Å; W43-F69 HydrophobicContact CB-CZ 4.24Å; W43-F69 AromaticContact CD1-CD2 3.89Å; W43-F69 AromaticContact CD1-CE2 3.98Å; W43-F69 HydrophobicContact CD2-CD1 4.15Å; W43-F69 HydrophobicContact CD2-CD2 4.45Å; W43-F69 HydrophobicContact CD2-CE1 4.5Å; W43-F69 HydrophobicContact CD2-CG 4.12Å; W43-F69 AromaticContact CE2-CG 3.85Å; W43-F69 HydrophobicContact CE3-CD1 4.41Å; W43-F69 HydrophobicContact CG-CD1 4.42Å; W43-F69 HydrophobicContact CG-CD2 4.27Å; W43-F69 HydrophobicContact CG-CE1 4.37Å; W43-F69 HydrophobicContact CG-CE2 4.22Å; W43-F69 HydrophobicContact CG-CG 4.36Å; W43-F69 HydrophobicContact CG-CZ 4.27Å; W43-F69 HydrophobicContact CH2-CB 4.2Å; W43-F69 HydrophobicContact CZ2-CB 3.67Å; W43-F69 HydrophobicContact CZ2-CG 4.16Å; W43-F69 AromaticContact NE1-CD2 3.81Å; L60-F69 HydrophobicContact CB-CB 4.38Å; L60-F69 PolarHBondContact O-N 3.15Å; E67-F69 PolarHBondContact O-N 2.87Å
70A90.5Very high86.5Confident11 Ų1166.1 Ų66.19%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-156154.3-18000000112L60 I96L60-A70 HydrophobicContact CD1-CB 4.19Å; L60-A70 PolarHBondContact N-O 2.85Å; L60-A70 PolarHBondContact O-N 3.11Å; A70-I96 HydrophobicContact CB-CB 4.32Å; A70-I96 HydrophobicContact CB-CD1 4.05Å; A70-I96 HydrophobicContact CB-CG2 3.85Å
71Q91.6Very high86Confident64 Ų6466.5 Ų66.530%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-125.4133.4175.9-172.4174.64.500110Y57 I58 K59 I96 Q97Y57-Q71 HydrophobicContact CD1-CG 4.12Å; I58-Q71 CarbonylContact O-C 3.59Å; I58-Q71 WeakPolarHBondContact O-CA 3.13Å; K59-Q71 HydrophobicContact CG-CG 4.29Å; Q71-I96 WeakPolarHBondContact O-CA 3.25Å; Q71-Q97 PolarHBondContact O-N 2.76Å
72A91.3Very high85.7Confident0 Ų065.8 Ų65.80%036%0.359CS..EExtended strand (participates in β ladder)trans-118.9105.1175.100000109.7I58 I94 R95 I96I58-A72 HydrophobicContact CB-CB 4.19Å; I58-A72 PolarHBondContact N-O 2.75Å; I58-A72 PolarHBondContact O-N 2.7Å; A72-I94 HydrophobicContact CB-CB 4.41Å; A72-I94 HydrophobicContact CB-CD1 4.03Å; A72-I94 HydrophobicContact CB-CG1 4.46Å; A72-R95 WeakPolarHBondContact CA-O 3.43Å; A72-R95 WeakPolarHBondContact CB-O 3.34Å; A72-I96 HydrophobicContact CB-CG2 3.94Å
73P90.1Very high85.5Confident14 Ų1466 Ų669%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-74.7130.9169.327.4-28.3000110.7I55 Y57 Q97I55-P73 HydrophobicContact CG2-CB 4.3Å; Y57-P73 HydrophobicContact CD1-CB 3.82Å; Y57-P73 HydrophobicContact CE1-CB 3.68Å; P73-Q97 HydrophobicContact CG-CB 4.03Å; P73-Q97 HydrophobicContact CG-CG 3.84Å
74V87.8Confident85.6Confident1 Ų163.8 Ų63.81%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-120.1111.8178.9-171.80000106.9I55 A56 I58 A81 V82 F127I55-V74 WeakPolarHBondContact CG2-O 3.4Å; A56-V74 HydrophobicContact CB-CB 4.33Å; A56-V74 PolarHBondContact N-O 2.78Å; A56-V74 WeakPolarHBondContact O-CA 3.29Å; A56-V74 WeakPolarHBondContact O-CB 3.22Å; A56-V74 PolarHBondContact O-N 3.35Å; I58-V74 HydrophobicContact CD1-CG2 3.7Å; I58-V74 HydrophobicContact CG1-CG2 4.22Å; V74-A81 HydrophobicContact CB-CB 4.28Å; V74-A81 HydrophobicContact CG1-CB 3.93Å; V74-A81 HydrophobicContact CG2-CB 4.17Å; V74-V82 HydrophobicContact CG1-CG2 4.33Å; V74-V82 HydrophobicContact CG2-CG2 3.83Å; V74-F127 HydrophobicContact CB-CE2 4.29Å; V74-F127 HydrophobicContact CB-CZ 3.87Å; V74-F127 HydrophobicContact CG1-CE1 4.49Å; V74-F127 HydrophobicContact CG1-CE2 3.62Å; V74-F127 HydrophobicContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact O-CZ 3.25Å; V74-F127 WeakPolarHBondContact O-CZ 3.46Å
75E82.4Confident85.6Confident128 Ų12858.3 Ų58.360%0.59832%0.321SS*.  trans-97.1-25.3-179.7-62.7171.610800112I55 F127I55-E75 HydrophobicContact CD1-CG 4.18Å; I55-E75 HydrophobicContact CG1-CG 4.17Å; I55-E75 HydrophobicContact CG2-CG 4.19Å; E75-F127 WeakPolarHBondContact O-CE1 3.3Å
76Q76.1Confident85.6Confident142 Ų14260 Ų6066%0.66433%0.328SS*.SBendtrans-144.8134.6-177.2-175.517376.100110.6
77Y74.7Confident85.7Confident42 Ų4261.4 Ų61.417%0.16533%0.325CS..SBendtrans-133.5135.1172.2-172.2-76.7000109.9V82 N120 L123 Q124 F127Y77-V82 HydrophobicContact CD2-CB 4.48Å; Y77-V82 HydrophobicContact CE2-CB 4.39Å; Y77-V82 HydrophobicContact CE2-CG1 4.44Å; Y77-N120 PolarHBondContact OH-OD1 2.94Å; Y77-L123 HydrophobicContact CD2-CB 4.35Å; Y77-Q124 HydrophobicContact CD1-CG 3.63Å; Y77-Q124 HydrophobicContact CE1-CB 4.34Å; Y77-Q124 HydrophobicContact CE1-CG 3.07Å; Y77-Q124 PolarHBondContact OH-NE2 2.78Å; Y77-F127 HydrophobicContact CG-CD2 4.06Å
78P76.6Confident85.5Confident109 Ų10955.8 Ų55.871%0.70830%0.302SS*.SBendcis-69.6141.5-5.328.9-34.1000111.7
79G77.3Confident85.5Confident27 Ų2754.9 Ų54.928%0.27830%0.302SS..BIsolated β-bridgetrans-166.2176.6-176.800000112.8A81 V82G79-A81 PolarHBondContact O-N 3.12Å; G79-A81 VanDerWaalsContact O-N 3.14Å; G79-V82 CarbonylContact O-C 3.6Å; G79-V82 PolarHBondContact O-N 2.99Å; G79-V82 VanDerWaalsContact O-O 3.05Å
80I77.4Confident85.6Confident97 Ų9754.3 Ų54.350%0.49730%0.297SS..THydrogen-bonded Turntrans-69.4-8.4-177.660.391.8000114.3V82I80-V82 VanDerWaalsContact C-N 3.34Å
81A83Confident85.7Confident8 Ų855.1 Ų55.17%0.06630%0.298CS..THydrogen-bonded Turntrans-72-30177.900000112.2V74 G79 I94 R95V74-A81 HydrophobicContact CB-CB 4.28Å; V74-A81 HydrophobicContact CG1-CB 3.93Å; V74-A81 HydrophobicContact CG2-CB 4.17Å; G79-A81 PolarHBondContact O-N 3.12Å; G79-A81 VanDerWaalsContact O-N 3.14Å; A81-I94 CarbonylContact O-C 3.44Å; A81-I94 VanDerWaalsContact O-CA 3.31Å; A81-I94 WeakPolarHBondContact O-CA 3.49Å; A81-R95 PolarHBondContact O-N 3.28Å
82V88Confident85.8Confident10 Ų1052.3 Ų52.36%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-138.8107.9176.2-1770000108.3I58 V74 Y77 G79 I80 V93 I94 F119 L123I58-V82 HydrophobicContact CD1-CG2 3.85Å; V74-V82 HydrophobicContact CG1-CG2 4.33Å; V74-V82 HydrophobicContact CG2-CG2 3.83Å; Y77-V82 HydrophobicContact CD2-CB 4.48Å; Y77-V82 HydrophobicContact CE2-CB 4.39Å; Y77-V82 HydrophobicContact CE2-CG1 4.44Å; G79-V82 CarbonylContact O-C 3.6Å; G79-V82 PolarHBondContact O-N 2.99Å; G79-V82 VanDerWaalsContact O-O 3.05Å; I80-V82 VanDerWaalsContact C-N 3.34Å; V82-V93 CarbonylContact C-O 3.5Å; V82-V93 WeakPolarHBondContact CA-O 3.49Å; V82-I94 HydrophobicContact CG1-CG2 4.23Å; V82-I94 HydrophobicContact CG2-CG2 4.09Å; V82-F119 HydrophobicContact CG1-CE1 3.91Å; V82-F119 HydrophobicContact CG1-CZ 4.15Å; V82-L123 HydrophobicContact CG1-CD1 4.35Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å
83E88.5Confident85.8Confident43 Ų4352.4 Ų52.420%0.20129%0.285CS..EExtended strand (participates in β ladder)trans-109.5128.4179.1-165.6173.1142.400109.6R25 Y31 F92 V93R25-E83 IonicContact NH1-OE1 3.89Å; R25-E83 IonicContact NH1-OE2 3.22Å; R25-E83 PolarHBondContact NH1-OE2 3.42Å; Y31-E83 HydrophobicContact CD2-CB 4.34Å; Y31-E83 VanDerWaalsContact CD2-CD 3.47Å; Y31-E83 HydrophobicContact CD2-CG 4.11Å; Y31-E83 VanDerWaalsContact CD2-OE1 3.26Å; Y31-E83 WeakPolarHBondContact CD2-OE1 3.39Å; Y31-E83 HydrophobicContact CE2-CB 4.46Å; Y31-E83 HydrophobicContact CE2-CG 4.46Å; E83-F92 CarbonylContact O-C 3.55Å; E83-F92 WeakPolarHBondContact O-CA 3.46Å; E83-V93 HydrophobicContact CB-CB 4.36Å; E83-V93 PolarHBondContact N-O 2.84Å; E83-V93 PolarHBondContact O-N 2.98Å
84T89.8Confident85.9Confident70 Ų7051.7 Ų51.743%0.42928%0.281SS..EExtended strand (participates in β ladder)trans-79.1142.4175.956.40000110.5F92T84-F92 HydrophobicContact CG2-CD1 3.82Å; T84-F92 HydrophobicContact CG2-CE1 3.79Å
85V89.4Confident86Confident8 Ų854 Ų545%0.04829%0.29CS..  trans-75.1144.2174.9174.10000110.8A33 W36 D87 S88 Y91 V93A33-V85 HydrophobicContact CB-CG1 3.73Å; W36-V85 HydrophobicContact CH2-CG2 3.28Å; W36-V85 HydrophobicContact CZ2-CG2 3.59Å; W36-V85 HydrophobicContact CZ3-CG2 4.16Å; V85-D87 WeakPolarHBondContact CG1-OD1 3.49Å; V85-S88 VanDerWaalsContact O-O 3.09Å; V85-Y91 WeakPolarHBondContact CB-O 3.27Å; V85-Y91 VanDerWaalsContact CG2-O 3.32Å; V85-Y91 WeakPolarHBondContact CG2-O 3.4Å; V85-Y91 PolarHBondContact N-O 3.48Å; V85-V93 HydrophobicContact CG2-CG2 4.44Å
86T87.3Confident86.5Confident109 Ų10949.3 Ų49.367%0.66927%0.268SS*.SBendtrans-77.5-35.4-173.7-51.10000113.5Y31Y31-T86 PolarHBondContact O-N 2.76Å
87D88.2Confident87.1Confident75 Ų7545.9 Ų45.940%0.40125%0.252SS..SBendtrans-88.5-12.2-178.256.5-40.3000113.5R32 A33 S34 V85R32-D87 WeakPolarHBondContact CA-OD1 3.48Å; A33-D87 PolarHBondContact N-OD1 2.8Å; A33-D87 PolarHBondContact N-OD2 2.93Å; S34-D87 PolarHBondContact N-OD2 2.73Å; S34-D87 VanDerWaalsContact N-OD2 3.07Å; S34-D87 PolarHBondContact OG-OD2 2.67Å; V85-D87 WeakPolarHBondContact CG1-OD1 3.49Å
88S87.1Confident87.6Confident25 Ų2548.9 Ų48.918%0.17527%0.271CS..  trans-148.8133.9-177.4-178.50000112V85 R90 Y91V85-S88 VanDerWaalsContact O-O 3.09Å; S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact OG-N 2.84Å; S88-Y91 WeakPolarHBondContact OG-CD2 3.38Å
89S88.9Confident87.6Confident61 Ų6147.8 Ų47.843%0.42728%0.279SS..SBendtrans-85.7-4173.250.40000113.6F92 R113 A116S89-F92 VanDerWaalsContact O-CZ 3.32Å; S89-F92 WeakPolarHBondContact O-CZ 3.23Å; S89-R113 PolarHBondContact OG-NE 3.36Å; S89-A116 WeakPolarHBondContact O-CB 3.18Å
90R91.6Very high87.7Confident97 Ų9751.2 Ų51.237%0.36630%0.295SS..SBendtrans-90.2-15.2176.9-65.8-167.6-62.9172.90113.7S88 G109 F110 T111 R113 A116S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact OG-N 2.84Å; R90-G109 WeakPolarHBondContact O-CA 3.4Å; R90-F110 PolarHBondContact O-N 3.05Å; R90-T111 PolarHBondContact NH1-O 3.41Å; R90-R113 HydrophobicContact CG-CB 4.2Å; R90-R113 HydrophobicContact CG-CG 4.37Å; R90-A116 HydrophobicContact CB-CB 4.49Å
91Y92.6Very high87.7Confident28 Ų2849.2 Ų49.211%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-113138.6-176.5-60.6-69.2000110.2Y20 A33 W36 L38 V85 S88 I108Y20-Y91 HydrophobicContact CE2-CD1 4.1Å; Y20-Y91 AromaticContact CE2-CE1 3.76Å; Y20-Y91 HydrophobicContact CE2-CE1 3.76Å; A33-Y91 HydrophobicContact CB-CD2 3.37Å; A33-Y91 HydrophobicContact CB-CE2 4.03Å; A33-Y91 HydrophobicContact CB-CG 3.89Å; W36-Y91 HydrophobicContact CZ3-CD1 4.43Å; W36-Y91 HydrophobicContact CZ3-CG 4.39Å; L38-Y91 HydrophobicContact CD1-CE2 4.01Å; L38-Y91 HydrophobicContact CD2-CD1 4.21Å; L38-Y91 HydrophobicContact CD2-CD2 4.48Å; L38-Y91 HydrophobicContact CD2-CE1 3.69Å; L38-Y91 HydrophobicContact CD2-CE2 4Å; V85-Y91 WeakPolarHBondContact CB-O 3.27Å; V85-Y91 VanDerWaalsContact CG2-O 3.32Å; V85-Y91 WeakPolarHBondContact CG2-O 3.4Å; V85-Y91 PolarHBondContact N-O 3.48Å; S88-Y91 WeakPolarHBondContact OG-CD2 3.38Å; Y91-I108 CarbonylContact C-O 3.55Å; Y91-I108 VanDerWaalsContact CA-O 3.3Å; Y91-I108 WeakPolarHBondContact CA-O 3.27Å
92F92.9Very high87.9Confident4 Ų458.1 Ų58.12%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-135.3153.2179.3-54.3-96.8000108.8E83 T84 S89 G107 I108 F110 A116 F119 N120E83-F92 CarbonylContact O-C 3.55Å; E83-F92 WeakPolarHBondContact O-CA 3.46Å; T84-F92 HydrophobicContact CG2-CD1 3.82Å; T84-F92 HydrophobicContact CG2-CE1 3.79Å; S89-F92 VanDerWaalsContact O-CZ 3.32Å; S89-F92 WeakPolarHBondContact O-CZ 3.23Å; F92-G107 CarbonylContact O-C 3.57Å; F92-G107 WeakPolarHBondContact O-CA 3.1Å; F92-I108 HydrophobicContact CB-CD1 4.22Å; F92-I108 HydrophobicContact CB-CG1 3.8Å; F92-I108 HydrophobicContact CD2-CG1 4.49Å; F92-I108 PolarHBondContact N-O 2.79Å; F92-I108 PolarHBondContact O-N 2.79Å; F92-F110 HydrophobicContact CD2-CD2 4.02Å; F92-F110 AromaticContact CD2-CE2 3.72Å; F92-F110 HydrophobicContact CD2-CE2 3.72Å; F92-F110 AromaticContact CE2-CD2 3.8Å; F92-F110 HydrophobicContact CE2-CD2 3.8Å; F92-F110 AromaticContact CE2-CE2 3.71Å; F92-F110 HydrophobicContact CE2-CE2 3.71Å; F92-A116 HydrophobicContact CE2-CB 3.72Å; F92-A116 HydrophobicContact CZ-CB 4.12Å; F92-A116 WeakPolarHBondContact CZ-O 3.46Å; F92-F119 HydrophobicContact CB-CE1 4.37Å; F92-F119 HydrophobicContact CD1-CD1 4.34Å; F92-F119 HydrophobicContact CD1-CE1 4.1Å; F92-F119 HydrophobicContact CD2-CD1 4.14Å; F92-F119 HydrophobicContact CD2-CE1 4.24Å; F92-F119 HydrophobicContact CE1-CD1 4.29Å; F92-F119 HydrophobicContact CE1-CE1 4.47Å; F92-F119 HydrophobicContact CE2-CD1 4.1Å; F92-F119 HydrophobicContact CG-CD1 4.27Å; F92-F119 AromaticContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CZ-CD1 4.18Å; F92-N120 HydrophobicContact CE1-CB 4.26Å; F92-N120 HydrophobicContact CZ-CB 4.37Å
93V91.8Very high87.8Confident2 Ų260.5 Ų60.51%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-106.1125.1169.1-177.70000107.6I22 Y31 W36 V82 E83 V85 F105 I106I22-V93 HydrophobicContact CD1-CB 4.24Å; I22-V93 HydrophobicContact CD1-CG1 3.97Å; I22-V93 HydrophobicContact CD1-CG2 3.44Å; I22-V93 VanDerWaalsContact CD1-CG2 3.44Å; Y31-V93 HydrophobicContact CD1-CG2 3.96Å; Y31-V93 HydrophobicContact CD2-CB 3.99Å; Y31-V93 HydrophobicContact CD2-CG1 4.28Å; Y31-V93 HydrophobicContact CD2-CG2 3.57Å; Y31-V93 HydrophobicContact CE1-CG1 4.43Å; Y31-V93 HydrophobicContact CE1-CG2 4.41Å; Y31-V93 HydrophobicContact CE2-CB 4.08Å; Y31-V93 HydrophobicContact CE2-CG1 3.89Å; Y31-V93 HydrophobicContact CE2-CG2 4.06Å; Y31-V93 HydrophobicContact CG-CB 4.4Å; Y31-V93 HydrophobicContact CG-CG2 3.52Å; W36-V93 HydrophobicContact CH2-CG2 3.43Å; W36-V93 VanDerWaalsContact CH2-CG2 3.43Å; W36-V93 HydrophobicContact CZ2-CG2 3.31Å; V82-V93 CarbonylContact C-O 3.5Å; V82-V93 WeakPolarHBondContact CA-O 3.49Å; E83-V93 HydrophobicContact CB-CB 4.36Å; E83-V93 PolarHBondContact N-O 2.84Å; E83-V93 PolarHBondContact O-N 2.98Å; V85-V93 HydrophobicContact CG2-CG2 4.44Å; V93-F105 HydrophobicContact CG1-CB 3.98Å; V93-F105 HydrophobicContact CG1-CD1 4Å; V93-F105 HydrophobicContact CG1-CG 4.42Å; V93-I106 CarbonylContact C-O 3.56Å; V93-I106 WeakPolarHBondContact CA-O 3.23Å
94I92.4Very high87.8Confident0 Ų060.6 Ų60.60%036%0.355CS..EExtended strand (participates in β ladder)trans-115.3144.6175.165.2171.7000110.3I58 L60 A72 A81 V82 I96 I106 I108 F119I58-I94 HydrophobicContact CD1-CG2 4.25Å; I58-I94 HydrophobicContact CG2-CD1 4.19Å; L60-I94 HydrophobicContact CD1-CD1 4.22Å; A72-I94 HydrophobicContact CB-CB 4.41Å; A72-I94 HydrophobicContact CB-CD1 4.03Å; A72-I94 HydrophobicContact CB-CG1 4.46Å; A81-I94 CarbonylContact O-C 3.44Å; A81-I94 VanDerWaalsContact O-CA 3.31Å; A81-I94 WeakPolarHBondContact O-CA 3.49Å; V82-I94 HydrophobicContact CG1-CG2 4.23Å; V82-I94 HydrophobicContact CG2-CG2 4.09Å; I94-I96 HydrophobicContact CD1-CG2 4.24Å; I94-I96 HydrophobicContact CG1-CG2 4.34Å; I94-I96 PolarHBondContact O-N 2.93Å; I94-I106 HydrophobicContact CD1-CD1 4.08Å; I94-I106 HydrophobicContact CD1-CG1 4.22Å; I94-I106 HydrophobicContact CG1-CD1 4.04Å; I94-I106 HydrophobicContact CG1-CG1 3.6Å; I94-I106 PolarHBondContact N-O 2.76Å; I94-I106 PolarHBondContact O-N 2.81Å; I94-I108 HydrophobicContact CD1-CD1 4.33Å; I94-I108 HydrophobicContact CD1-CG2 3.77Å; I94-I108 HydrophobicContact CG1-CG2 4Å; I94-I108 HydrophobicContact CG2-CD1 3.8Å; I94-I108 HydrophobicContact CG2-CG1 4.18Å; I94-F119 HydrophobicContact CG2-CZ 4.28Å
95R90.4Very high87.8Confident50 Ų5060.2 Ų60.219%0.18935%0.348CS..EExtended strand (participates in β ladder)trans-89.3102.1173.4-168.8-176.675.6171.11.4109.3A72 A81 A104 F105A72-R95 WeakPolarHBondContact CA-O 3.43Å; A72-R95 WeakPolarHBondContact CB-O 3.34Å; A81-R95 PolarHBondContact O-N 3.28Å; R95-A104 CarbonylContact C-O 3.6Å; R95-A104 WeakPolarHBondContact CA-O 3.39Å; R95-F105 HydrophobicContact CB-CD1 4.01Å; R95-F105 HydrophobicContact CB-CE1 3.74Å; R95-F105 HydrophobicContact CG-CD1 4.25Å; R95-F105 HydrophobicContact CG-CE1 3.85Å; R95-F105 HydrophobicContact CG-CZ 4.14Å
96I91.9Very high88Confident28 Ų2860.6 Ų60.614%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-79.2149.7170.857166.2000110.3A70 Q71 A72 I94 S103 A104 I106A70-I96 HydrophobicContact CB-CB 4.32Å; A70-I96 HydrophobicContact CB-CD1 4.05Å; A70-I96 HydrophobicContact CB-CG2 3.85Å; Q71-I96 WeakPolarHBondContact O-CA 3.25Å; A72-I96 HydrophobicContact CB-CG2 3.94Å; I94-I96 HydrophobicContact CD1-CG2 4.24Å; I94-I96 HydrophobicContact CG1-CG2 4.34Å; I94-I96 PolarHBondContact O-N 2.93Å; I96-S103 CarbonylContact O-C 3.59Å; I96-S103 VanDerWaalsContact O-CA 3.26Å; I96-S103 WeakPolarHBondContact O-CA 3.35Å; I96-A104 HydrophobicContact CD1-CB 4.18Å; I96-A104 HydrophobicContact CG1-CB 3.93Å; I96-A104 VanDerWaalsContact CG1-O 3.29Å; I96-A104 WeakPolarHBondContact CG1-O 3.42Å; I96-A104 PolarHBondContact N-O 2.81Å; I96-A104 PolarHBondContact O-N 2.73Å; I96-I106 HydrophobicContact CD1-CD1 4.29Å; I96-I106 HydrophobicContact CD1-CG1 4.46Å; I96-I106 HydrophobicContact CD1-CG2 3.73Å; I96-I106 HydrophobicContact CG1-CG1 4.36Å; I96-I106 HydrophobicContact CG1-CG2 4.16Å; I96-I106 HydrophobicContact CG2-CD1 3.5Å; I96-I106 VanDerWaalsContact CG2-CD1 3.5Å; I96-I106 HydrophobicContact CG2-CG1 3.79Å
97Q89.2Confident88.2Confident70 Ų7055.4 Ų55.433%0.32732%0.317SS..EExtended strand (participates in β ladder)trans-121.3132.2170.5-69.5-167.8-30.600109.2Q71 P73 R102 S103Q71-Q97 PolarHBondContact O-N 2.76Å; P73-Q97 HydrophobicContact CG-CB 4.03Å; P73-Q97 HydrophobicContact CG-CG 3.84Å; Q97-R102 WeakPolarHBondContact CA-O 3.41Å; Q97-S103 PolarHBondContact NE2-OG 2.86Å
98D85.2Confident88.5Confident106 Ų10651.8 Ų51.857%0.56730%0.298SS*.  trans-80.8159.7171.2-1699.7000110.3T100 G101 R102D98-T100 PolarHBondContact O-N 2.81Å; D98-G101 PolarHBondContact O-N 3.46Å; D98-R102 PolarHBondContact N-O 2.89Å
99G77.2Confident88.8Confident85 Ų8550.7 Ų50.788%0.87629%0.29SS*.THydrogen-bonded Turntrans-58-15.2175.800000113.7
100T79.6Confident89Confident100 Ų10048 Ų4861%0.61327%0.271SS*.THydrogen-bonded Turntrans-90.26173.576.80000113.8D98 R102D98-T100 PolarHBondContact O-N 2.81Å; T100-R102 VanDerWaalsContact C-N 3.28Å; T100-R102 PolarHBondContact O-N 2.72Å
101G77.8Confident89Confident54 Ų5447.2 Ų47.256%0.55728%0.277SS*.SBendtrans77.25.1-178.500000115.2D98D98-G101 PolarHBondContact O-N 3.46Å
102R85.4Confident88.9Confident196 Ų19650.1 Ų50.174%0.7430%0.295SS*.  trans-76.6130.9174.8-71.1179.6-179.9178.11.7109.2Q97 D98 T100Q97-R102 WeakPolarHBondContact CA-O 3.41Å; D98-R102 PolarHBondContact N-O 2.89Å; T100-R102 VanDerWaalsContact C-N 3.28Å; T100-R102 PolarHBondContact O-N 2.72Å
103S86.6Confident88.7Confident59 Ų5958 Ų5841%0.41332%0.324SS..EExtended strand (participates in β ladder)trans-99.2136.8177.1-57.10000110.4I96 Q97I96-S103 CarbonylContact O-C 3.59Å; I96-S103 VanDerWaalsContact O-CA 3.26Å; I96-S103 WeakPolarHBondContact O-CA 3.35Å; Q97-S103 PolarHBondContact NE2-OG 2.86Å
104A89.3Confident88.8Confident46 Ų4659.4 Ų59.438%0.3834%0.339SS..EExtended strand (participates in β ladder)trans-130.8155.1172.100000110.1R95 I96R95-A104 CarbonylContact C-O 3.6Å; R95-A104 WeakPolarHBondContact CA-O 3.39Å; I96-A104 HydrophobicContact CD1-CB 4.18Å; I96-A104 HydrophobicContact CG1-CB 3.93Å; I96-A104 VanDerWaalsContact CG1-O 3.29Å; I96-A104 WeakPolarHBondContact CG1-O 3.42Å; I96-A104 PolarHBondContact N-O 2.81Å; I96-A104 PolarHBondContact O-N 2.73Å
105F90.1Very high88.8Confident61 Ų6161.1 Ų61.127%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-103.5128.8175.2-66.8-80.5000109.1V93 R95V93-F105 HydrophobicContact CG1-CB 3.98Å; V93-F105 HydrophobicContact CG1-CD1 4Å; V93-F105 HydrophobicContact CG1-CG 4.42Å; R95-F105 HydrophobicContact CB-CD1 4.01Å; R95-F105 HydrophobicContact CB-CE1 3.74Å; R95-F105 HydrophobicContact CG-CD1 4.25Å; R95-F105 HydrophobicContact CG-CE1 3.85Å; R95-F105 HydrophobicContact CG-CZ 4.14Å
106I92Very high88.8Confident16 Ų1658.8 Ų58.88%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-126.1146.7174.561.2167.3000109.3V19 L60 V93 I94 I96 I108V19-I106 HydrophobicContact CG1-CB 4.25Å; V19-I106 HydrophobicContact CG1-CD1 3.95Å; L60-I106 HydrophobicContact CD1-CD1 3.44Å; L60-I106 VanDerWaalsContact CD1-CD1 3.44Å; V93-I106 CarbonylContact C-O 3.56Å; V93-I106 WeakPolarHBondContact CA-O 3.23Å; I94-I106 HydrophobicContact CD1-CD1 4.08Å; I94-I106 HydrophobicContact CD1-CG1 4.22Å; I94-I106 HydrophobicContact CG1-CD1 4.04Å; I94-I106 HydrophobicContact CG1-CG1 3.6Å; I94-I106 PolarHBondContact N-O 2.76Å; I94-I106 PolarHBondContact O-N 2.81Å; I96-I106 HydrophobicContact CD1-CD1 4.29Å; I96-I106 HydrophobicContact CD1-CG1 4.46Å; I96-I106 HydrophobicContact CD1-CG2 3.73Å; I96-I106 HydrophobicContact CG1-CG1 4.36Å; I96-I106 HydrophobicContact CG1-CG2 4.16Å; I96-I106 HydrophobicContact CG2-CD1 3.5Å; I96-I106 VanDerWaalsContact CG2-CD1 3.5Å; I96-I106 HydrophobicContact CG2-CG1 3.79Å; I106-I108 HydrophobicContact CD1-CG2 4.39Å
107G92.9Very high88.8Confident0 Ų063.7 Ų63.70%036%0.36CS..EExtended strand (participates in β ladder)trans-84.1133.5170.100000109V19 Y20 F92V19-G107 CarbonylContact C-O 3.48Å; V19-G107 VanDerWaalsContact CA-O 3.3Å; V19-G107 WeakPolarHBondContact CA-O 3.42Å; Y20-G107 PolarHBondContact N-O 2.9Å; Y20-G107 WeakPolarHBondContact O-CA 3.4Å; Y20-G107 PolarHBondContact O-N 2.8Å; F92-G107 CarbonylContact O-C 3.57Å; F92-G107 WeakPolarHBondContact O-CA 3.1Å
108I93.9Very high89Confident0 Ų063.6 Ų63.60%036%0.362CS..EExtended strand (participates in β ladder)trans-114.8143.9165.962.5169.6000108.4V17 S18 V19 L47 L60 Y91 F92 I94 I106 F110 F119V17-I108 HydrophobicContact CG2-CB 4.1Å; S18-I108 CarbonylContact O-C 3.52Å; S18-I108 WeakPolarHBondContact O-CA 3.23Å; V19-I108 HydrophobicContact CG2-CG2 4.22Å; L47-I108 HydrophobicContact CD1-CD1 3.86Å; L60-I108 HydrophobicContact CD1-CG2 4.4Å; L60-I108 HydrophobicContact CD2-CG2 4.49Å; Y91-I108 CarbonylContact C-O 3.55Å; Y91-I108 VanDerWaalsContact CA-O 3.3Å; Y91-I108 WeakPolarHBondContact CA-O 3.27Å; F92-I108 HydrophobicContact CB-CD1 4.22Å; F92-I108 HydrophobicContact CB-CG1 3.8Å; F92-I108 HydrophobicContact CD2-CG1 4.49Å; F92-I108 PolarHBondContact N-O 2.79Å; F92-I108 PolarHBondContact O-N 2.79Å; I94-I108 HydrophobicContact CD1-CD1 4.33Å; I94-I108 HydrophobicContact CD1-CG2 3.77Å; I94-I108 HydrophobicContact CG1-CG2 4Å; I94-I108 HydrophobicContact CG2-CD1 3.8Å; I94-I108 HydrophobicContact CG2-CG1 4.18Å; I106-I108 HydrophobicContact CD1-CG2 4.39Å; I108-F110 HydrophobicContact CD1-CE2 4.18Å; I108-F110 HydrophobicContact CD1-CZ 4.28Å; I108-F119 HydrophobicContact CD1-CE1 4.13Å; I108-F119 HydrophobicContact CD1-CE2 4.02Å; I108-F119 HydrophobicContact CD1-CZ 3.73Å
109G93.3Very high89.3Confident1 Ų158.6 Ų58.61%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-135138.1177.600000110.4S18 R90S18-G109 PolarHBondContact N-O 3.24Å; S18-G109 PolarHBondContact O-N 2.85Å; R90-G109 WeakPolarHBondContact O-CA 3.4Å
110F93.1Very high89.9Confident4 Ų456 Ų562%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-98.4143.9171.8-60.4-87.3000109.6K14 V17 L47 R90 F92 I108 D112 D115 A116 F119K14-F110 HydrophobicContact CB-CE1 4.13Å; K14-F110 HydrophobicContact CG-CE1 4.15Å; V17-F110 HydrophobicContact CG2-CE1 4.35Å; L47-F110 HydrophobicContact CD1-CZ 4.21Å; R90-F110 PolarHBondContact O-N 3.05Å; F92-F110 HydrophobicContact CD2-CD2 4.02Å; F92-F110 AromaticContact CD2-CE2 3.72Å; F92-F110 HydrophobicContact CD2-CE2 3.72Å; F92-F110 AromaticContact CE2-CD2 3.8Å; F92-F110 HydrophobicContact CE2-CD2 3.8Å; F92-F110 AromaticContact CE2-CE2 3.71Å; F92-F110 HydrophobicContact CE2-CE2 3.71Å; I108-F110 HydrophobicContact CD1-CE2 4.18Å; I108-F110 HydrophobicContact CD1-CZ 4.28Å; F110-D112 WeakPolarHBondContact CB-O 3.38Å; F110-D115 HydrophobicContact CB-CB 4.28Å; F110-D115 HydrophobicContact CD1-CB 3.93Å; F110-D115 HydrophobicContact CG-CB 4.33Å; F110-A116 HydrophobicContact CB-CB 4.01Å; F110-A116 VanDerWaalsContact CD2-CA 3.5Å; F110-A116 HydrophobicContact CD2-CB 3.64Å; F110-A116 HydrophobicContact CE2-CB 4.44Å; F110-A116 HydrophobicContact CG-CB 4.03Å; F110-F119 HydrophobicContact CE1-CB 4.32Å; F110-F119 HydrophobicContact CE2-CB 3.89Å; F110-F119 HydrophobicContact CE2-CD1 4Å; F110-F119 HydrophobicContact CE2-CD2 4.37Å; F110-F119 AromaticContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CZ-CB 3.56Å; F110-F119 HydrophobicContact CZ-CD1 4.19Å; F110-F119 AromaticContact CZ-CD2 3.75Å; F110-F119 HydrophobicContact CZ-CD2 3.75Å; F110-F119 AromaticContact CZ-CG 3.56Å; F110-F119 HydrophobicContact CZ-CG 3.56Å
111T90.7Very high90.4Very high81 Ų8154 Ų5450%0.49729%0.289SS..SBendtrans-64.6-48.5172.549.70000109.6D16 R90D16-T111 HydrophobicContact CB-CG2 4.45Å; R90-T111 PolarHBondContact NH1-O 3.41Å
112D91.3Very high91Very high89 Ų8952.7 Ų52.748%0.47627%0.272SS..SBendtrans-96.8148.7179.7-169.160.5000113.4F110 G114 D115 A116F110-D112 WeakPolarHBondContact CB-O 3.38Å; D112-G114 VanDerWaalsContact OD2-CA 3.25Å; D112-G114 WeakPolarHBondContact OD2-CA 3.42Å; D112-G114 PolarHBondContact OD2-N 3.24Å; D112-D115 HydrophobicContact CB-CB 4.44Å; D112-A116 PolarHBondContact O-N 3.34Å
113R89.7Confident91.2Very high170 Ų17043.4 Ų43.464%0.64224%0.236SC*.Hα-helixtrans-77.1-31.6178.7-172.2176.8-178.2176.1-1.7112.6S89 R90 A116 F117S89-R113 PolarHBondContact OG-NE 3.36Å; R90-R113 HydrophobicContact CG-CB 4.2Å; R90-R113 HydrophobicContact CG-CG 4.37Å; R113-A116 PolarHBondContact O-N 3.28Å; R113-F117 WeakPolarHBondContact O-CB 3.38Å; R113-F117 PolarHBondContact O-N 2.93Å
114G92.4Very high91.3Very high32 Ų3243.3 Ų43.333%0.3323%0.23SC..Hα-helixtrans-62.6-43.5173.800000111.2D112 A116 F117 D118D112-G114 VanDerWaalsContact OD2-CA 3.25Å; D112-G114 WeakPolarHBondContact OD2-CA 3.42Å; D112-G114 PolarHBondContact OD2-N 3.24Å; G114-A116 PolarHBondContact O-N 3.36Å; G114-F117 WeakPolarHBondContact O-CB 3.26Å; G114-F117 PolarHBondContact O-N 3.31Å; G114-F117 VanDerWaalsContact O-N 3.11Å; G114-D118 PolarHBondContact O-N 3.25Å
115D92.1Very high91.2Very high35 Ų3545 Ų4519%0.18723%0.232CC..Hα-helixtrans-63.5-40.7177.5-75.1-28.3000113.3K14 F110 D112 F117 D118 F119K14-D115 HydrophobicContact CD-CB 4.1Å; K14-D115 WeakPolarHBondContact CD-OD1 3.29Å; K14-D115 WeakPolarHBondContact CE-OD1 3.36Å; K14-D115 IonicContact NZ-OD1 2.72Å; K14-D115 PolarHBondContact NZ-OD1 3.43Å; F110-D115 HydrophobicContact CB-CB 4.28Å; F110-D115 HydrophobicContact CD1-CB 3.93Å; F110-D115 HydrophobicContact CG-CB 4.33Å; D112-D115 HydrophobicContact CB-CB 4.44Å; D115-F117 VanDerWaalsContact C-N 3.32Å; D115-D118 PolarHBondContact O-N 3.11Å; D115-F119 WeakPolarHBondContact O-CB 3.23Å; D115-F119 PolarHBondContact O-N 2.99Å
116A92.1Very high90.9Very high2 Ų242.6 Ų42.62%0.01722%0.222CC..Hα-helixtrans-61.8-39.8172.300000112.7S89 R90 F92 F110 D112 R113 G114 N120S89-A116 WeakPolarHBondContact O-CB 3.18Å; R90-A116 HydrophobicContact CB-CB 4.49Å; F92-A116 HydrophobicContact CE2-CB 3.72Å; F92-A116 HydrophobicContact CZ-CB 4.12Å; F92-A116 WeakPolarHBondContact CZ-O 3.46Å; F110-A116 HydrophobicContact CB-CB 4.01Å; F110-A116 VanDerWaalsContact CD2-CA 3.5Å; F110-A116 HydrophobicContact CD2-CB 3.64Å; F110-A116 HydrophobicContact CE2-CB 4.44Å; F110-A116 HydrophobicContact CG-CB 4.03Å; D112-A116 PolarHBondContact O-N 3.34Å; R113-A116 PolarHBondContact O-N 3.28Å; G114-A116 PolarHBondContact O-N 3.36Å; A116-N120 PolarHBondContact O-N 3.33Å
117F91.8Very high90.5Very high130 Ų13042.6 Ų42.657%0.5722%0.221SC*.Hα-helixtrans-67.5-46.9177.5-179.2-100.3000111.3R113 G114 D115 F119 N120 V121R113-F117 WeakPolarHBondContact O-CB 3.38Å; R113-F117 PolarHBondContact O-N 2.93Å; G114-F117 WeakPolarHBondContact O-CB 3.26Å; G114-F117 PolarHBondContact O-N 3.31Å; G114-F117 VanDerWaalsContact O-N 3.11Å; D115-F117 VanDerWaalsContact C-N 3.32Å; F117-F119 VanDerWaalsContact C-N 3.33Å; F117-F119 PolarHBondContact O-N 3.21Å; F117-N120 WeakPolarHBondContact O-CB 3.31Å; F117-N120 PolarHBondContact O-N 2.95Å; F117-N120 VanDerWaalsContact O-N 3.13Å; F117-V121 HydrophobicContact CD1-CG2 4.02Å; F117-V121 HydrophobicContact CD2-CG2 4.31Å; F117-V121 HydrophobicContact CE1-CG2 3.6Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CG-CG2 4.37Å; F117-V121 HydrophobicContact CZ-CG2 3.54Å; F117-V121 WeakPolarHBondContact O-CG2 3.27Å; F117-V121 PolarHBondContact O-N 3.02Å
118D92Very high90.1Very high69 Ų6948.2 Ų48.237%0.36925%0.246SC..Hα-helixtrans-57.8-45.5176-73.6-6.4000111.2K14 G114 D115 N120 V121 S122K14-D118 IonicContact NZ-OD2 2.69Å; K14-D118 PolarHBondContact NZ-OD2 3.22Å; G114-D118 PolarHBondContact O-N 3.25Å; D115-D118 PolarHBondContact O-N 3.11Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.11Å; D118-V121 PolarHBondContact O-N 2.89Å; D118-S122 VanDerWaalsContact O-CB 3.27Å; D118-S122 WeakPolarHBondContact O-CB 3.41Å; D118-S122 PolarHBondContact O-N 2.91Å; D118-S122 PolarHBondContact O-OG 3.49Å
119F91.3Very high89.3Confident0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-53.4-47.6175.1167.7-95.7000111.9L47 I49 I58 V82 F92 I94 I108 F110 D115 F117 L123L47-F119 HydrophobicContact CD1-CD2 4.24Å; L47-F119 HydrophobicContact CD1-CE2 4.06Å; L47-F119 HydrophobicContact CD2-CD2 3.81Å; L47-F119 HydrophobicContact CD2-CE2 4.13Å; I49-F119 HydrophobicContact CD1-CD2 3.48Å; I49-F119 VanDerWaalsContact CD1-CD2 3.48Å; I49-F119 HydrophobicContact CD1-CE2 3.69Å; I49-F119 HydrophobicContact CD1-CG 4.43Å; I49-F119 HydrophobicContact CG1-CD2 4.32Å; I49-F119 HydrophobicContact CG1-CE2 4.38Å; I58-F119 HydrophobicContact CD1-CE2 3.93Å; I58-F119 HydrophobicContact CD1-CZ 3.86Å; I58-F119 HydrophobicContact CG1-CE2 4.32Å; I58-F119 HydrophobicContact CG2-CE2 4.34Å; V82-F119 HydrophobicContact CG1-CE1 3.91Å; V82-F119 HydrophobicContact CG1-CZ 4.15Å; F92-F119 HydrophobicContact CB-CE1 4.37Å; F92-F119 HydrophobicContact CD1-CD1 4.34Å; F92-F119 HydrophobicContact CD1-CE1 4.1Å; F92-F119 HydrophobicContact CD2-CD1 4.14Å; F92-F119 HydrophobicContact CD2-CE1 4.24Å; F92-F119 HydrophobicContact CE1-CD1 4.29Å; F92-F119 HydrophobicContact CE1-CE1 4.47Å; F92-F119 HydrophobicContact CE2-CD1 4.1Å; F92-F119 HydrophobicContact CG-CD1 4.27Å; F92-F119 AromaticContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CZ-CD1 4.18Å; I94-F119 HydrophobicContact CG2-CZ 4.28Å; I108-F119 HydrophobicContact CD1-CE1 4.13Å; I108-F119 HydrophobicContact CD1-CE2 4.02Å; I108-F119 HydrophobicContact CD1-CZ 3.73Å; F110-F119 HydrophobicContact CE1-CB 4.32Å; F110-F119 HydrophobicContact CE2-CB 3.89Å; F110-F119 HydrophobicContact CE2-CD1 4Å; F110-F119 HydrophobicContact CE2-CD2 4.37Å; F110-F119 AromaticContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CZ-CB 3.56Å; F110-F119 HydrophobicContact CZ-CD1 4.19Å; F110-F119 AromaticContact CZ-CD2 3.75Å; F110-F119 HydrophobicContact CZ-CD2 3.75Å; F110-F119 AromaticContact CZ-CG 3.56Å; F110-F119 HydrophobicContact CZ-CG 3.56Å; D115-F119 WeakPolarHBondContact O-CB 3.23Å; D115-F119 PolarHBondContact O-N 2.99Å; F117-F119 VanDerWaalsContact C-N 3.33Å; F117-F119 PolarHBondContact O-N 3.21Å; F119-L123 HydrophobicContact CD1-CD1 4.37Å; F119-L123 HydrophobicContact CD2-CD1 4.43Å; F119-L123 HydrophobicContact CE1-CD1 3.78Å; F119-L123 HydrophobicContact CE2-CD1 3.82Å; F119-L123 HydrophobicContact CZ-CD1 3.46Å; F119-L123 VanDerWaalsContact CZ-CD1 3.46Å; F119-L123 WeakPolarHBondContact O-CG 3.37Å; F119-L123 PolarHBondContact O-N 2.9Å
120N90.3Very high88.7Confident31 Ų3155.6 Ų55.617%0.16628%0.275CS..Hα-helixtrans-67.9-42.2-178.3-16434.2000112Y77 F92 A116 F117 D118 Q124Y77-N120 PolarHBondContact OH-OD1 2.94Å; F92-N120 HydrophobicContact CE1-CB 4.26Å; F92-N120 HydrophobicContact CZ-CB 4.37Å; A116-N120 PolarHBondContact O-N 3.33Å; F117-N120 WeakPolarHBondContact O-CB 3.31Å; F117-N120 PolarHBondContact O-N 2.95Å; F117-N120 VanDerWaalsContact O-N 3.13Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.11Å; N120-Q124 PolarHBondContact ND2-NE2 2.81Å; N120-Q124 WeakPolarHBondContact O-CB 3.44Å; N120-Q124 WeakPolarHBondContact O-CG 3.5Å; N120-Q124 PolarHBondContact O-N 3.37Å; N120-Q124 VanDerWaalsContact O-N 3.08Å
121V91.1Very high87.8Confident57 Ų5762.6 Ų62.635%0.34531%0.305SS..Hα-helixtrans-70.5-43.1179.7172.50000111.6F117 D118 L123 Q124 D125F117-V121 HydrophobicContact CD1-CG2 4.02Å; F117-V121 HydrophobicContact CD2-CG2 4.31Å; F117-V121 HydrophobicContact CE1-CG2 3.6Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CG-CG2 4.37Å; F117-V121 HydrophobicContact CZ-CG2 3.54Å; F117-V121 WeakPolarHBondContact O-CG2 3.27Å; F117-V121 PolarHBondContact O-N 3.02Å; D118-V121 PolarHBondContact O-N 2.89Å; V121-L123 VanDerWaalsContact C-N 3.3Å; V121-L123 PolarHBondContact O-N 2.94Å; V121-Q124 PolarHBondContact O-N 3.16Å; V121-Q124 VanDerWaalsContact O-N 3.16Å; V121-D125 WeakPolarHBondContact O-CB 3.47Å; V121-D125 PolarHBondContact O-N 3.08Å
122S90.4Very high86.7Confident28 Ų2863.4 Ų63.420%0.19630%0.303CS..Hα-helixtrans-59.2-40.6177.9-670000111.9D118 H126D118-S122 VanDerWaalsContact O-CB 3.27Å; D118-S122 WeakPolarHBondContact O-CB 3.41Å; D118-S122 PolarHBondContact O-N 2.91Å; D118-S122 PolarHBondContact O-OG 3.49Å; S122-H126 WeakPolarHBondContact O-CB 3.39Å; S122-H126 PolarHBondContact O-N 2.89Å
123L88.9Confident85.6Confident0 Ų064.4 Ų64.40%031%0.305CS..Hα-helixtrans-65.7-50.9172.6-72.8170.5000111.1I49 A56 I58 Y77 V82 F119 V121 D125 H126 F127I49-L123 HydrophobicContact CD1-CD1 4.37Å; I49-L123 HydrophobicContact CD1-CD2 4.06Å; I49-L123 HydrophobicContact CD1-CG 3.87Å; I49-L123 HydrophobicContact CG2-CD2 3.86Å; A56-L123 HydrophobicContact CB-CD2 4.1Å; I58-L123 HydrophobicContact CD1-CD1 4.12Å; I58-L123 HydrophobicContact CD1-CD2 4.4Å; I58-L123 HydrophobicContact CG1-CD2 4.36Å; Y77-L123 HydrophobicContact CD2-CB 4.35Å; V82-L123 HydrophobicContact CG1-CD1 4.35Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å; F119-L123 HydrophobicContact CD1-CD1 4.37Å; F119-L123 HydrophobicContact CD2-CD1 4.43Å; F119-L123 HydrophobicContact CE1-CD1 3.78Å; F119-L123 HydrophobicContact CE2-CD1 3.82Å; F119-L123 HydrophobicContact CZ-CD1 3.46Å; F119-L123 VanDerWaalsContact CZ-CD1 3.46Å; F119-L123 WeakPolarHBondContact O-CG 3.37Å; F119-L123 PolarHBondContact O-N 2.9Å; V121-L123 VanDerWaalsContact C-N 3.3Å; V121-L123 PolarHBondContact O-N 2.94Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 2.87Å; L123-H126 PolarHBondContact O-N 3.27Å; L123-F127 HydrophobicContact CD2-CE2 4.29Å; L123-F127 WeakPolarHBondContact O-CD2 3.39Å; L123-F127 PolarHBondContact O-N 3.25Å
124Q88.1Confident84.8Confident58 Ų5857.7 Ų57.727%0.27128%0.284SS..Hα-helixtrans-55.9-46.2-179.9-81.5179.538.200113.3Y77 N120 V121 F127 K128Y77-Q124 HydrophobicContact CD1-CG 3.63Å; Y77-Q124 HydrophobicContact CE1-CB 4.34Å; Y77-Q124 HydrophobicContact CE1-CG 3.07Å; Y77-Q124 PolarHBondContact OH-NE2 2.78Å; N120-Q124 PolarHBondContact ND2-NE2 2.81Å; N120-Q124 WeakPolarHBondContact O-CB 3.44Å; N120-Q124 WeakPolarHBondContact O-CG 3.5Å; N120-Q124 PolarHBondContact O-N 3.37Å; N120-Q124 VanDerWaalsContact O-N 3.08Å; V121-Q124 PolarHBondContact O-N 3.16Å; V121-Q124 VanDerWaalsContact O-N 3.16Å; Q124-F127 PolarHBondContact O-N 2.89Å; Q124-K128 VanDerWaalsContact O-CG 3.26Å; Q124-K128 WeakPolarHBondContact O-CG 3.32Å; Q124-K128 PolarHBondContact O-N 3.13Å
125D88.3Confident83.7Confident80 Ų8062 Ų6243%0.42830%0.296SS..Hα-helixtrans-63.2-46.8-179.2-167.460.7000110.5V121 L123 F127 K128 W129V121-D125 WeakPolarHBondContact O-CB 3.47Å; V121-D125 PolarHBondContact O-N 3.08Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 2.87Å; D125-F127 PolarHBondContact O-N 3.32Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 2.75Å; D125-K128 VanDerWaalsContact O-N 3.11Å; D125-W129 PolarHBondContact O-N 2.72Å; D125-W129 PolarHBondContact OD2-NE1 2.96Å
126H84Confident82.6Confident11 Ų1165.5 Ų65.55%0.05131%0.313CS..Hα-helixtrans-56.9-46.3176.1177.6-103.3000112.6L11 S51 S122 L123 K128 W129 V130L11-H126 HydrophobicContact CD1-CB 3.47Å; L11-H126 VanDerWaalsContact CD1-CB 3.47Å; L11-H126 HydrophobicContact CD2-CB 4.09Å; L11-H126 HydrophobicContact CG-CB 4.44Å; S51-H126 WeakPolarHBondContact CB-NE2 3.4Å; S51-H126 PolarHBondContact OG-CD2 2.84Å; S51-H126 PolarHBondContact OG-NE2 2.77Å; S122-H126 WeakPolarHBondContact O-CB 3.39Å; S122-H126 PolarHBondContact O-N 2.89Å; L123-H126 PolarHBondContact O-N 3.27Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.42Å; H126-W129 PolarHBondContact O-N 3.47Å; H126-V130 WeakPolarHBondContact CE1-CG2 3.26Å; H126-V130 WeakPolarHBondContact NE2-CG2 3.45Å; H126-V130 WeakPolarHBondContact O-CB 3.5Å; H126-V130 VanDerWaalsContact O-CG2 3.29Å; H126-V130 WeakPolarHBondContact O-CG2 3.33Å; H126-V130 PolarHBondContact O-N 2.84Å
127F82.9Confident81.1Confident17 Ų1768 Ų688%0.07533%0.331CS..Hα-helixtrans-70.1-27.9178.7-73.3-74.8000113.6A56 V74 E75 Y77 L123 Q124 D125 K131A56-F127 HydrophobicContact CB-CE2 3.96Å; A56-F127 HydrophobicContact CB-CZ 3.75Å; V74-F127 HydrophobicContact CB-CE2 4.29Å; V74-F127 HydrophobicContact CB-CZ 3.87Å; V74-F127 HydrophobicContact CG1-CE1 4.49Å; V74-F127 HydrophobicContact CG1-CE2 3.62Å; V74-F127 HydrophobicContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact O-CZ 3.25Å; V74-F127 WeakPolarHBondContact O-CZ 3.46Å; E75-F127 WeakPolarHBondContact O-CE1 3.3Å; Y77-F127 HydrophobicContact CG-CD2 4.06Å; L123-F127 HydrophobicContact CD2-CE2 4.29Å; L123-F127 WeakPolarHBondContact O-CD2 3.39Å; L123-F127 PolarHBondContact O-N 3.25Å; Q124-F127 PolarHBondContact O-N 2.89Å; D125-F127 PolarHBondContact O-N 3.32Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.36Å; F127-K131 PolarHBondContact O-N 3.27Å
128K83.4Confident79.8Confident118 Ų11868.3 Ų68.351%0.51333%0.332SS..Hα-helixtrans-65-43.7170.4-72.2168.3-175.1175.90111Q124 D125 H126 Q132Q124-K128 VanDerWaalsContact O-CG 3.26Å; Q124-K128 WeakPolarHBondContact O-CG 3.32Å; Q124-K128 PolarHBondContact O-N 3.13Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 2.75Å; D125-K128 VanDerWaalsContact O-N 3.11Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.42Å; K128-Q132 WeakPolarHBondContact O-CG 3.36Å; K128-Q132 PolarHBondContact O-N 3.42Å; K128-Q132 PolarHBondContact O-NE2 3.21Å
129W78.4Confident78.2Confident140 Ų14070.5 Ų70.553%0.5334%0.34SS..Hα-helixtrans-66.7-48.9175.3-78.3104.9000111.7D125 H126 K131 Q132 E133D125-W129 PolarHBondContact O-N 2.72Å; D125-W129 PolarHBondContact OD2-NE1 2.96Å; H126-W129 PolarHBondContact O-N 3.47Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 2.91Å; W129-Q132 WeakPolarHBondContact O-CB 3.36Å; W129-Q132 PolarHBondContact O-N 2.76Å; W129-Q132 VanDerWaalsContact O-N 3.11Å; W129-E133 PolarHBondContact O-N 2.88Å
130V80.3Confident76.6Confident15 Ų1573.2 Ų73.29%0.09136%0.359CS..Hα-helixtrans-58.5-40.2177.4166.10000112.1K54 H126 S134K54-V130 HydrophobicContact CB-CG1 3.81Å; K54-V130 HydrophobicContact CG-CG1 4.12Å; H126-V130 WeakPolarHBondContact CE1-CG2 3.26Å; H126-V130 WeakPolarHBondContact NE2-CG2 3.45Å; H126-V130 WeakPolarHBondContact O-CB 3.5Å; H126-V130 VanDerWaalsContact O-CG2 3.29Å; H126-V130 WeakPolarHBondContact O-CG2 3.33Å; H126-V130 PolarHBondContact O-N 2.84Å; V130-S134 WeakPolarHBondContact O-CA 3.3Å; V130-S134 WeakPolarHBondContact O-CB 3.38Å; V130-S134 PolarHBondContact O-N 3.36Å
131K74.8Confident75Confident151 Ų15178.5 Ų78.566%0.65738%0.383SS*.Hα-helixtrans-64.3-43.2177.3-173.9178.8177.4-175.90111.1F127 W129 S134 E135F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.36Å; F127-K131 PolarHBondContact O-N 3.27Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 2.91Å; K131-S134 PolarHBondContact O-N 2.75Å; K131-E135 WeakPolarHBondContact O-CB 3.37Å; K131-E135 PolarHBondContact O-N 2.75Å
132Q68.2Low73.2Confident98 Ų9881.8 Ų81.846%0.45839%0.394SS..Hα-helixtrans-65.4-47.7176.2-74.1169.473.500111.6K128 W129 S134 E135 I136K128-Q132 WeakPolarHBondContact O-CG 3.36Å; K128-Q132 PolarHBondContact O-N 3.42Å; K128-Q132 PolarHBondContact O-NE2 3.21Å; W129-Q132 WeakPolarHBondContact O-CB 3.36Å; W129-Q132 PolarHBondContact O-N 2.76Å; W129-Q132 VanDerWaalsContact O-N 3.11Å; Q132-S134 VanDerWaalsContact C-N 3.31Å; Q132-S134 PolarHBondContact O-N 2.86Å; Q132-E135 PolarHBondContact O-N 2.84Å; Q132-E135 VanDerWaalsContact O-N 3.12Å; Q132-I136 VanDerWaalsContact O-CG1 3.27Å; Q132-I136 WeakPolarHBondContact O-CG1 3.47Å; Q132-I136 PolarHBondContact O-N 2.79Å
133E68Low71.2Confident110 Ų11086.4 Ų86.451%0.51441%0.414SS..Hα-helixtrans-63.6-37176.4-75.8-177.9172.100112.3W129 E135 S137W129-E133 PolarHBondContact O-N 2.88Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.01Å; E133-S137 WeakPolarHBondContact O-CB 3.45Å; E133-S137 PolarHBondContact O-N 3.14Å; E133-S137 PolarHBondContact O-OG 2.81Å
134S71.5Confident69.4Low29 Ų2993.4 Ų93.420%0.20345%0.452CS..Hα-helixtrans-61.9-40172.6165.20000111.6V130 K131 Q132 K138V130-S134 WeakPolarHBondContact O-CA 3.3Å; V130-S134 WeakPolarHBondContact O-CB 3.38Å; V130-S134 PolarHBondContact O-N 3.36Å; K131-S134 PolarHBondContact O-N 2.75Å; Q132-S134 VanDerWaalsContact C-N 3.31Å; Q132-S134 PolarHBondContact O-N 2.86Å; S134-K138 WeakPolarHBondContact O-CB 3.32Å; S134-K138 WeakPolarHBondContact O-CG 3.44Å; S134-K138 PolarHBondContact O-N 3.37Å
135E69.6Low67.6Low124 Ų12494.5 Ų94.558%0.57947%0.471SS*.Hα-helixtrans-72.7-44.3179.3-165.8159.9-158.500110.9K131 Q132 E133 S137 K138 E139K131-E135 WeakPolarHBondContact O-CB 3.37Å; K131-E135 PolarHBondContact O-N 2.75Å; Q132-E135 PolarHBondContact O-N 2.84Å; Q132-E135 VanDerWaalsContact O-N 3.12Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.01Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-S137 PolarHBondContact O-N 2.76Å; E135-K138 PolarHBondContact O-N 3.04Å; E135-E139 WeakPolarHBondContact O-CB 3.49Å; E135-E139 PolarHBondContact O-N 2.57Å
136I68.5Low65.6Low107 Ų10798.7 Ų98.755%0.54948%0.481SS..Hα-helixtrans-61.7-41.1173.3-65.5162.1000111.2Q132 E139 S140Q132-I136 VanDerWaalsContact O-CG1 3.27Å; Q132-I136 WeakPolarHBondContact O-CG1 3.47Å; Q132-I136 PolarHBondContact O-N 2.79Å; I136-E139 PolarHBondContact O-N 3.06Å; I136-S140 WeakPolarHBondContact O-CB 3.48Å; I136-S140 PolarHBondContact O-N 3.43Å; I136-S140 PolarHBondContact O-OG 3.11Å
137S62.1Low64Low56 Ų56103.7 Ų103.739%0.39251%0.514SS..Hα-helixtrans-70.9-34.6178-590000112.2E133 E135 S140 Q141E133-S137 WeakPolarHBondContact O-CB 3.45Å; E133-S137 PolarHBondContact O-N 3.14Å; E133-S137 PolarHBondContact O-OG 2.81Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-S137 PolarHBondContact O-N 2.76Å; S137-S140 WeakPolarHBondContact CA-OG 3.25Å; S137-S140 PolarHBondContact O-OG 2.77Å; S137-Q141 WeakPolarHBondContact O-CB 3.42Å; S137-Q141 PolarHBondContact O-N 3.49Å
138K63.4Low62.2Low135 Ų135111.4 Ų111.459%0.58755%0.547SS*.Hα-helixtrans-69.3-39.7171.7-85.7-178.8173.3-175.80111.1S134 E135 Q141 E142S134-K138 WeakPolarHBondContact O-CB 3.32Å; S134-K138 WeakPolarHBondContact O-CG 3.44Å; S134-K138 PolarHBondContact O-N 3.37Å; E135-K138 PolarHBondContact O-N 3.04Å; K138-Q141 PolarHBondContact O-N 3.43Å; K138-E142 WeakPolarHBondContact O-CB 3.36Å; K138-E142 PolarHBondContact O-N 2.72Å
139E59.1Low60.6Low115 Ų115112.5 Ų112.554%0.53756%0.558SS.*Hα-helixtrans-66.9-42.2176.3-175.8171.8-168.800111.1E135 I136 Q141 E142 M143E135-E139 WeakPolarHBondContact O-CB 3.49Å; E135-E139 PolarHBondContact O-N 2.57Å; I136-E139 PolarHBondContact O-N 3.06Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.36Å; E139-E142 CarbonylContact O-C 3.6Å; E139-E142 PolarHBondContact O-N 3.48Å; E139-M143 HydrophobicContact CG-CG 4.41Å; E139-M143 VanDerWaalsContact O-CB 3.3Å; E139-M143 WeakPolarHBondContact O-CB 3.27Å; E139-M143 WeakPolarHBondContact O-CG 3.26Å; E139-M143 PolarHBondContact O-N 3.36Å
140S58Low59.3Low57 Ų57111.8 Ų111.840%0.39957%0.565SS.*Hα-helixtrans-64.6-40.3174.564.20000111.6I136 S137 M143 D144I136-S140 WeakPolarHBondContact O-CB 3.48Å; I136-S140 PolarHBondContact O-N 3.43Å; I136-S140 PolarHBondContact O-OG 3.11Å; S137-S140 WeakPolarHBondContact CA-OG 3.25Å; S137-S140 PolarHBondContact O-OG 2.77Å; S140-M143 PolarHBondContact O-N 3.02Å; S140-D144 PolarHBondContact O-N 2.77Å
141Q56.2Low58.4Low142 Ų142117.8 Ų117.866%0.66460%0.596SS**Hα-helixtrans-70-30.6175.4-164.41688.800112.7S137 K138 E139 A145S137-Q141 WeakPolarHBondContact O-CB 3.42Å; S137-Q141 PolarHBondContact O-N 3.49Å; K138-Q141 PolarHBondContact O-N 3.43Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.36Å; Q141-A145 VanDerWaalsContact O-CB 3.3Å; Q141-A145 WeakPolarHBondContact O-CB 3.32Å; Q141-A145 PolarHBondContact O-N 3.24Å
142E52.7Low57.5Low126 Ų126113.1 Ų113.159%0.58959%0.591SS**Hα-helixtrans-78.7-27.4172.8-168.7174.4169.600112.1K138 E139 A145 R146K138-E142 WeakPolarHBondContact O-CB 3.36Å; K138-E142 PolarHBondContact O-N 2.72Å; E139-E142 CarbonylContact O-C 3.6Å; E139-E142 PolarHBondContact O-N 3.48Å; E142-A145 CarbonylContact O-C 3.54Å; E142-A145 PolarHBondContact O-N 3.3Å; E142-R146 WeakPolarHBondContact O-CB 3.37Å; E142-R146 WeakPolarHBondContact O-CG 3.16Å; E142-R146 PolarHBondContact O-N 3.22Å
143M49.9Very low56.8Low125 Ų125114 Ų11462%0.61659%0.593SS**Hα-helixtrans-70.8-34.2168.4-76.3-171.5119.200111.6E139 S140E139-M143 HydrophobicContact CG-CG 4.41Å; E139-M143 VanDerWaalsContact O-CB 3.3Å; E139-M143 WeakPolarHBondContact O-CB 3.27Å; E139-M143 WeakPolarHBondContact O-CG 3.26Å; E139-M143 PolarHBondContact O-N 3.36Å; S140-M143 PolarHBondContact O-N 3.02Å
144D50.7Low56.4Low147 Ų147117.3 Ų117.379%0.78661%0.606SS**Hα-helixtrans-75.9-28170.7-89.2-50.5000112.9S140S140-D144 PolarHBondContact O-N 2.77Å
145A50.1Low55.4Low81 Ų81125.9 Ų125.967%0.66964%0.643SS**Hα-helixtrans-86.8-9.1173.400000113.6Q141 E142Q141-A145 VanDerWaalsContact O-CB 3.3Å; Q141-A145 WeakPolarHBondContact O-CB 3.32Å; Q141-A145 PolarHBondContact O-N 3.24Å; E142-A145 CarbonylContact O-C 3.54Å; E142-A145 PolarHBondContact O-N 3.3Å
146R45.5Very low55Low169 Ų169123.7 Ų123.764%0.63865%0.653SS**SBendtrans-71.8123.2166.3-94.8-179173.4165.32.4107.5E142 K148E142-R146 WeakPolarHBondContact O-CB 3.37Å; E142-R146 WeakPolarHBondContact O-CG 3.16Å; E142-R146 PolarHBondContact O-N 3.22Å; R146-K148 PolarHBondContact O-N 2.89Å
147P51.3Low54.5Low116 Ų116124.6 Ų124.675%0.75366%0.655SS**  trans-55.1119.1175.821.9-30.7000107.6L149P147-L149 PolarHBondContact O-N 3.29Å
148K45.5Very low54.5Low178 Ų178128 Ų12877%0.77467%0.674SS**  trans-38.1102176.7-175.7172.1177.8175.60108.4R146 D150R146-K148 PolarHBondContact O-N 2.89Å; K148-D150 PolarHBondContact O-N 3.4Å
149L49.1Very low54.4Low141 Ų141126.2 Ų126.274%0.73867%0.67SS**  trans-68.794.4173-155.682.6000103.8P147 L151P147-L149 PolarHBondContact O-N 3.29Å; L149-L151 HydrophobicContact CD2-CD1 4.34Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.06Å; L149-L151 HydrophobicContact CG-CD2 4.3Å; L149-L151 HydrophobicContact CG-CG 4.42Å; L149-L151 PolarHBondContact O-N 3.43Å
150D51.4Low54.5Low126 Ų126129.5 Ų129.567%0.67468%0.682SS**  trans-6386.7174.2-95.5-22.7000107.4K148K148-D150 PolarHBondContact O-N 3.4Å
151L60.4Low54.5Low141 Ų141133 Ų13374%0.73870%0.695SS**  trans-82.37.4164.9-62.9178.8000110.9L149 F153L149-L151 HydrophobicContact CD2-CD1 4.34Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.06Å; L149-L151 HydrophobicContact CG-CD2 4.3Å; L149-L151 HydrophobicContact CG-CG 4.42Å; L149-L151 PolarHBondContact O-N 3.43Å; L151-F153 PolarHBondContact O-N 3.14Å
152G56.8Low54.4Low53 Ų53131.2 Ų131.255%0.54670%0.699SS.*SBendtrans-65.3118.4161.200000108.3K154G152-K154 PolarHBondContact O-N 2.97Å
153F53.2Low54.7Low117 Ų117131.7 Ų131.751%0.51370%0.704SS.*PPolyproline II helixtrans-46.9128.5170.9-85.7-99.6000109L151 E155 Q157 I159L151-F153 PolarHBondContact O-N 3.14Å; F153-E155 PolarHBondContact O-N 3.04Å; F153-Q157 HydrophobicContact CD1-CB 3.81Å; F153-Q157 HydrophobicContact CD1-CG 3.71Å; F153-Q157 VanDerWaalsContact CD1-O 3.31Å; F153-Q157 WeakPolarHBondContact CD1-O 3.11Å; F153-Q157 HydrophobicContact CE1-CG 3.96Å; F153-I159 HydrophobicContact CD1-CD1 4.49Å; F153-I159 HydrophobicContact CD1-CG1 4.05Å; F153-I159 HydrophobicContact CD2-CD1 3.91Å; F153-I159 HydrophobicContact CD2-CG1 4.36Å; F153-I159 HydrophobicContact CE1-CD1 4.01Å; F153-I159 HydrophobicContact CE1-CG1 3.47Å; F153-I159 VanDerWaalsContact CE1-CG1 3.47Å; F153-I159 HydrophobicContact CE2-CD1 3.35Å; F153-I159 HydrophobicContact CE2-CG1 3.82Å; F153-I159 HydrophobicContact CG-CD1 4.46Å; F153-I159 HydrophobicContact CG-CG1 4.47Å; F153-I159 HydrophobicContact CZ-CD1 3.42Å; F153-I159 VanDerWaalsContact CZ-CD1 3.42Å; F153-I159 HydrophobicContact CZ-CG1 3.35Å
154K59.6Low54.4Low178 Ų178129.1 Ų129.177%0.77471%0.709SS**PPolyproline II helixtrans-56.1131.1172.3-68.2-167.6171.5-169.70107.8G152 G156 Q157G152-K154 PolarHBondContact O-N 2.97Å; K154-G156 PolarHBondContact O-N 2.93Å; K154-Q157 PolarHBondContact O-N 3.17Å
155E51.1Low54.4Low210 Ų210128.1 Ų128.198%0.98170%0.704SS**THydrogen-bonded Turntrans-49.8102.6-178-155.2173.8-175.700109F153F153-E155 PolarHBondContact O-N 3.04Å
156G60Low54.4Low77 Ų77131.6 Ų131.679%0.79471%0.71SS**THydrogen-bonded Turntrans124.1-7.8-173.900000117.2K154 T158K154-G156 PolarHBondContact O-N 2.93Å; G156-T158 PolarHBondContact O-N 2.98Å
157Q58.8Low54.4Low126 Ų126128.9 Ų128.959%0.58971%0.712SS**  trans-92.397.4175.5-173.9176.216.400111.4F153 K154 I159F153-Q157 HydrophobicContact CD1-CB 3.81Å; F153-Q157 HydrophobicContact CD1-CG 3.71Å; F153-Q157 VanDerWaalsContact CD1-O 3.31Å; F153-Q157 WeakPolarHBondContact CD1-O 3.11Å; F153-Q157 HydrophobicContact CE1-CG 3.96Å; K154-Q157 PolarHBondContact O-N 3.17Å; Q157-I159 PolarHBondContact O-N 2.97Å
158T62.8Low54.3Low129 Ų129129.8 Ų129.879%0.79172%0.715SS**  trans-71.1119179.5-58.90000112G156 K160G156-T158 PolarHBondContact O-N 2.98Å; T158-K160 PolarHBondContact O-N 3.43Å
159I60.4Low54.1Low97 Ų97130.9 Ų130.950%0.49772%0.72SS.*  trans-74.8107168.2-55.2172.2000108.1F153 Q157 L161F153-I159 HydrophobicContact CD1-CD1 4.49Å; F153-I159 HydrophobicContact CD1-CG1 4.05Å; F153-I159 HydrophobicContact CD2-CD1 3.91Å; F153-I159 HydrophobicContact CD2-CG1 4.36Å; F153-I159 HydrophobicContact CE1-CD1 4.01Å; F153-I159 HydrophobicContact CE1-CG1 3.47Å; F153-I159 VanDerWaalsContact CE1-CG1 3.47Å; F153-I159 HydrophobicContact CE2-CD1 3.35Å; F153-I159 HydrophobicContact CE2-CG1 3.82Å; F153-I159 HydrophobicContact CG-CD1 4.46Å; F153-I159 HydrophobicContact CG-CG1 4.47Å; F153-I159 HydrophobicContact CZ-CD1 3.42Å; F153-I159 VanDerWaalsContact CZ-CD1 3.42Å; F153-I159 HydrophobicContact CZ-CG1 3.35Å; Q157-I159 PolarHBondContact O-N 2.97Å; I159-L161 HydrophobicContact CG2-CD1 4.14Å; I159-L161 HydrophobicContact CG2-CG 4.21Å; I159-L161 PolarHBondContact O-N 3.07Å
160K61.4Low53.7Low183 Ų183133.4 Ų133.480%0.79673%0.725SS**  trans-73.591.9173.2-173.5178.2179.2177.90109.6T158 S162T158-K160 PolarHBondContact O-N 3.43Å; K160-S162 PolarHBondContact O-N 3.22Å
161L56.9Low53Low130 Ų130131 Ų13168%0.68173%0.731SS**  trans-77.7102.4168.5-74.7122.8000109.8I159 I163I159-L161 HydrophobicContact CG2-CD1 4.14Å; I159-L161 HydrophobicContact CG2-CG 4.21Å; I159-L161 PolarHBondContact O-N 3.07Å; L161-I163 HydrophobicContact CB-CD1 3.94Å; L161-I163 HydrophobicContact CB-CG1 4.45Å; L161-I163 PolarHBondContact O-N 3.37Å; L161-I163 VanDerWaalsContact O-N 3.12Å
162S54.9Low51.8Low106 Ų106128.1 Ų128.174%0.74174%0.735SS**  trans-7886.2167.1-67.70000109.5K160 G164K160-S162 PolarHBondContact O-N 3.22Å; S162-G164 VanDerWaalsContact C-N 3.33Å; S162-G164 PolarHBondContact O-N 2.84Å
163I58.7Low51.2Low136 Ų136130.7 Ų130.770%0.69775%0.751SS**  trans-77.786.8171-64.3127.6000108.3L161L161-I163 HydrophobicContact CB-CD1 3.94Å; L161-I163 HydrophobicContact CB-CG1 4.45Å; L161-I163 PolarHBondContact O-N 3.37Å; L161-I163 VanDerWaalsContact O-N 3.12Å
164G44.5Very low50.8Low70 Ų70131.1 Ų131.172%0.72277%0.768SS**  trans-86.412317200000111.6S162S162-G164 VanDerWaalsContact C-N 3.33Å; S162-G164 PolarHBondContact O-N 2.84Å
165N49.8Very low50.2Low127 Ų127132.1 Ų132.168%0.67977%0.773SS**  trans78.469.2161.3-154.513.2000118.7T167N165-T167 WeakPolarHBondContact OD1-CB 3.36Å; N165-T167 WeakPolarHBondContact OD1-CG2 2.88Å; N165-T167 PolarHBondContact OD1-N 3.37Å; N165-T167 PolarHBondContact OD1-OG1 3.18Å
166I50.5Low50.5Low154 Ų154126.7 Ų126.779%0.7976%0.756SS**  trans-90.776.1149.355.7154.5000109.7T168I166-T168 PolarHBondContact O-N 3.23Å
167T45.3Very low49.4Very low111 Ų111134.6 Ų134.668%0.68176%0.762SS**  trans-81.2100.8166.936.60000109.8N165 K169N165-T167 WeakPolarHBondContact OD1-CB 3.36Å; N165-T167 WeakPolarHBondContact OD1-CG2 2.88Å; N165-T167 PolarHBondContact OD1-N 3.37Å; N165-T167 PolarHBondContact OD1-OG1 3.18Å; T167-K169 PolarHBondContact O-N 3.19Å
168T48.4Very low48.5Very low135 Ų135135 Ų13583%0.82877%0.773SS**  trans-33.7113.4152-32.60000111.2I166I166-T168 PolarHBondContact O-N 3.23Å
169K43Very low47.3Very low201 Ų201133.4 Ų133.487%0.87477%0.772SS**  trans-141.296156.2-155172.8-177.3179.50112.6T167T167-K169 PolarHBondContact O-N 3.19Å
170K39.2Very low46.2Very low194 Ų194140.9 Ų140.984%0.84379%0.794SS**  trans-48.2134.1156.5-179.9179.3-177177.40111.9
171G37Very low45.1Very low77 Ų77135.8 Ų135.879%0.79479%0.794SS**  trans79.6119.7139.800000118.4
172G36.6Very low44.1Very low80 Ų80133.7 Ų133.783%0.82580%0.804SS**  trans-175.997.2164.200000111.7
173A43.8Very low43.4Very low107 Ų107132 Ų13288%0.88480%0.804SS**  trans-73.1142.1177.200000112.3
174S44Very low43Very low125 Ų125132.7 Ų132.787%0.87481%0.808SS**  trans-153.2128.9143.848.40000110.2
175K46.4Very low43.3Very low199 Ų199135.7 Ų135.787%0.86582%0.818SS**  trans-89.8-175.2-171.5-135.4-179155.4136.70110.5
176P58.3Low43.7Very low96 Ų96136.3 Ų136.362%0.62382%0.82SS**  trans-104.3173.8-131.629.5-6.9000112.5
177R36.9Very low43.8Very low244 Ų244136.4 Ų136.492%0.92182%0.822SS**  trans-168.3139.6138.8-110.5170.7-83.2161.2-9.6113.8
178T40.3Very low44.1Very low135 Ų135136.8 Ų136.883%0.82883%0.826SS**  trans-69.9143.6174.345.30000114.1
179A37.4Very low44.1Very low94 Ų94135.7 Ų135.778%0.77782%0.821SS**  trans175112.7143.100000107.7
180R36.1Very low44.3Very low254 Ų254131.9 Ų131.996%0.95882%0.817SS**  87.2127.279.2-174154.7166.3151.9-10.6112.3
181G38.5Very low44.7Very low77 Ų77128.9 Ų128.979%0.79482%0.817SS**  trans107112.4177.200000110.1
182G36.5Very low44.8Very low85 Ų85129 Ų12988%0.87682%0.819SS**  cis93.399.243.500000108
183G40.8Very low45.2Very low72 Ų72129.1 Ų129.174%0.74282%0.819SS**  trans108.1127.6161.400000117.4
184L50.2Low45.3Very low149 Ų149133.6 Ų133.678%0.7882%0.819SS**  trans71.891141.1-46.5178.4000117.9L186L184-L186 HydrophobicContact CD2-CD1 4.06Å
185S50.5Low45.4Very low133 Ų133134.9 Ų134.993%0.9382%0.821SS**  trans-10466148.8-51.90000108.7
186L57.1Low45Very low140 Ų140130.9 Ų130.973%0.73381%0.814SS**  trans-72117.7162.6-87.6154.1000107.4L184L184-L186 HydrophobicContact CD2-CD1 4.06Å
187L52.6Low44.4Very low157 Ų157133.5 Ų133.582%0.82282%0.821SS**  trans-44.7133.8166.2-76.7149.6000110.2P189L187-P189 WeakPolarHBondContact O-CD 3.19Å
188P52Low44.9Very low118 Ų118127.1 Ų127.177%0.76681%0.811SS**PPolyproline II helixtrans-67.1123.9172.826.2-31.4000109.7
189P48.8Very low45.3Very low112 Ų112125.7 Ų125.773%0.72780%0.804SS**PPolyproline II helixtrans-71.1145.3170.828.6-32.1000110.4L187L187-P189 WeakPolarHBondContact O-CD 3.19Å
190P47.5Very low45.7Very low121 Ų121127.5 Ų127.579%0.78681%0.808SS**PPolyproline II helixtrans-65136.317925.1-31.8000111.1G192P190-G192 PolarHBondContact O-N 2.69Å
191P48.3Very low45.9Very low132 Ų132120.5 Ų120.586%0.85780%0.798SS**PPolyproline II helixtrans-68.5123.3-179.124.9-31.5000111.7
192G39Very low46Very low80 Ų80122.2 Ų122.283%0.82580%0.798SS**PPolyproline II helixtrans-75.2125172.800000112.2P190P190-G192 PolarHBondContact O-N 2.69Å
193G43.9Very low46.1Very low81 Ų81123 Ų12384%0.83579%0.789SS**  trans-108.9121.1167.300000110.4
194K46.3Very low46.1Very low201 Ų201126.5 Ų126.587%0.87480%0.796SS**  trans-105.4117.5175.2-44.9-175.2-176.5-174.80107.9
195V46.8Very low45.4Very low152 Ų152124.2 Ų124.292%0.92180%0.799SS**  trans-149.6143.9155.2-166.60000109.4
196T37.7Very low44.8Very low116 Ų116125.4 Ų125.471%0.71279%0.793SS**  trans-104.7162.5-160.4-48.40000111.4
197I44.7Very low44.1Very low150 Ų150123.7 Ų123.777%0.76979%0.793SS**  trans92.6144151.6-45.5173.9000117
198P48.4Very low43.8Very low111 Ų111123.9 Ų123.972%0.72180%0.795SS**  cis-126174.1-4.219.74.7000116.6
199P48Very low43.5Very low105 Ų105125.5 Ų125.568%0.68279%0.792SS**PPolyproline II helixtrans-91.9158.5176.237.5-33.1000113.6
200P45.8Very low43.3Very low132 Ų132127 Ų12786%0.85780%0.799SS**PPolyproline II helixtrans-90123.4153.332.3-26.9000110.1
201S41Very low43.1Very low107 Ų107126.5 Ų126.575%0.74879%0.793SS**PPolyproline II helixtrans-87.2150.8176.4-1010000112.9
202S40Very low42.9Very low113 Ų113125.5 Ų125.579%0.7979%0.787SS**  trans82.9135.8157.277.20000117.1
203S39.5Very low43.4Very low100 Ų100127.5 Ų127.570%0.69979%0.785SS**  cis176.7122-14.440.90000105.5
204V40.3Very low43.1Very low146 Ų146129.3 Ų129.389%0.88578%0.782SS**  trans-176.7123.6137.9-99.60000110
205A35.2Very low42.7Very low101 Ų101127.1 Ų127.184%0.83578%0.778SS**  trans-76.8129.1172.400000109.8
206I38.3Very low42.5Very low159 Ų159125.7 Ų125.782%0.81577%0.773SS**  trans-104.195.1162.8-59.6174.5000106
207S42.3Very low42.3Very low103 Ų103129.9 Ų129.972%0.7278%0.781SS**  trans-80.2117.3166.2-175.70000107.8H209S207-H209 PolarHBondContact O-N 3.12Å; S207-H209 VanDerWaalsContact O-N 3.12Å
208N45.4Very low41.7Very low161 Ų161128.1 Ų128.186%0.86178%0.782SS**  trans-68.4100.2164.4-87.4-7.2000108.3
209H45.3Very low41Very low152 Ų152129.2 Ų129.270%0.70478%0.782SS**  trans-132.3119.6159-162.8-82.4000109.4S207 T211S207-H209 PolarHBondContact O-N 3.12Å; S207-H209 VanDerWaalsContact O-N 3.12Å; H209-T211 PolarHBondContact ND1-OG1 3.46Å; H209-T211 PolarHBondContact O-N 2.96Å
210V44.5Very low40.2Very low145 Ų145132.9 Ų132.988%0.87979%0.789SS**  trans-71.8115.9172.4165.80000108.4
211T43.4Very low39.5Very low109 Ų109130.4 Ų130.467%0.66979%0.788SS**  trans-151.1139.1164.6-33.50000108.5H209H209-T211 PolarHBondContact ND1-OG1 3.46Å; H209-T211 PolarHBondContact O-N 2.96Å
212P44Very low39.1Very low111 Ų111128.5 Ų128.572%0.72179%0.786SS**PPolyproline II helixtrans-78162.9-162.431.5-36.8000114.1
213P51Low38.9Very low122 Ų122129 Ų12979%0.79279%0.789SS**PPolyproline II helixtrans-79150.5-178.831.2-32.9000113.2
214P37.9Very low38.9Very low119 Ų119131.5 Ų131.577%0.77379%0.794SS**PPolyproline II helixtrans-86.7155.8-177.534.6-34.3000113.8
215I37.1Very low39.1Very low155 Ų155128.2 Ų128.280%0.79578%0.783SS**PPolyproline II helixtrans-65.7138.5174.9-48.5141.4000110.8
216P42.3Very low39.4Very low123 Ų123129.8 Ų129.880%0.79978%0.777SS**  trans-109.1128.615118-1.2000111.4
217K33.9Very low39.9Very low203 Ų203130.9 Ų130.988%0.88378%0.783SS**  trans-82.7130166.2-67.6178.81781760109.4
218S32.9Very low40.1Very low114 Ų114133 Ų13380%0.79779%0.785SS**  trans-178.8104.6132.6176.60000112.2
219N32.5Very low40Very low134 Ų134132.8 Ų132.872%0.71778%0.783SS**  trans38.9106.6130.4-116.152.4000120.9
220H32.4Very low39.8Very low181 Ų181132.3 Ų132.384%0.83879%0.786SS**  179.2125.9105.5-101.273000112.1
221G31.1Very low39.6Very low80 Ų80132.8 Ų132.883%0.82578%0.782SS**  trans90.2103.4133.400000120
222G32.3Very low39.3Very low68 Ų68134.5 Ų134.570%0.70179%0.788SS**  trans116107.4134.400000117.5
223S35.6Very low39.2Very low124 Ų124134 Ų13487%0.86779%0.787SS**  trans48.4143.7139.249.40000119.7
224D39.6Very low39.4Very low151 Ų151134.2 Ų134.281%0.80779%0.788SS**  cis176.8168.6-4.7-174-105.8000102.6
225A43Very low39.6Very low77 Ų77132.8 Ų132.864%0.63679%0.787SS**  trans86.186.4171.700000119.2
226D42.7Very low40.1Very low135 Ų135130.8 Ų130.872%0.72278%0.783SS**  43.8113109.2-59.5-62.5000119.9
227I49.2Very low40Very low182 Ų182130.8 Ų130.893%0.93378%0.781SS**  -148.994.5123.8-41.3-82000108.4
228L45.9Very low40Very low146 Ų146126.6 Ų126.676%0.76477%0.773SS**  trans-124.7116.5168.6-150.8-167000106.2D230L228-D230 HydrophobicContact CD2-CB 4.47Å
229L43.4Very low40.6Very low157 Ų157127.7 Ų127.782%0.82277%0.774SS**  trans-178.1109.8165.3-124.969.4000104.6
230D41.6Very low41Very low142 Ų142127 Ų12776%0.75978%0.777SS**  cis47.887.635.8-155.443.3000115L228L228-D230 HydrophobicContact CD2-CB 4.47Å
231L39.5Very low41.3Very low155 Ų155122.6 Ų122.681%0.81277%0.772SS**  trans-158.7101.5151.3-154.760000112.8
232D37.8Very low41.9Very low145 Ų145125.1 Ų125.178%0.77577%0.774SS**  79.7135.7127.5-148.741.1000122.5
233S42.2Very low42.2Very low101 Ų101128.3 Ų128.371%0.70678%0.78SS**  trans-78.9-177.6-176-89.20000112.7
234P53.8Low42.7Very low127 Ų127127.5 Ų127.583%0.82577%0.772SS**  cis-145.1175.927.937.9-13.7000119.1
235A42.1Very low42.7Very low89 Ų89126.6 Ų126.674%0.73677%0.772SS**  trans-69178.4-179.900000114.6
236P47.2Very low42.3Very low112 Ų112128.7 Ų128.773%0.72778%0.782SS**  -146.4150.773.541.9-23.6000117.3
237V40.9Very low42.1Very low123 Ų123126.8 Ų126.875%0.74579%0.785SS**  trans46.4140.8138.9-57.50000120.9
238T35.2Very low41.6Very low116 Ų116124 Ų12471%0.71278%0.782SS**  cis-176162.416.510.90000110.8
239T43.8Very low41.4Very low136 Ų136123.9 Ų123.983%0.83478%0.782SS**  trans95.6144.915658.10000121.8
240P41.8Very low41.9Very low120 Ų120124.5 Ų124.578%0.77979%0.786SS**  trans-127.3165-130.142.5-28.7000118.2
241A39.5Very low42.4Very low88 Ų88125 Ų12573%0.72779%0.788SS**  trans63.9134.8146.800000121.8
242P41.9Very low43Very low133 Ų133129.6 Ų129.686%0.86479%0.794SS**  -126.2141.1123.334.9-26.3000112.8
243T40.1Very low43.6Very low135 Ų135126.5 Ų126.583%0.82880%0.797SS**  trans-86165.2173.536.70000112.8
244P45.6Very low43.9Very low108 Ų108128.7 Ų128.770%0.70180%0.801SS**  trans-109.8158.7-156.140-30.7000115.9
245V38.5Very low43.7Very low132 Ų132132.4 Ų132.480%0.880%0.804SS**  trans49.8133150.2-58.40000121.9
246S35.9Very low44.1Very low120 Ų120132.9 Ų132.984%0.83980%0.802SS**  -167146.3116.8-82.90000113.1
247A37.2Very low43.9Very low96 Ų96133.3 Ų133.379%0.79380%0.803SS**  trans-67139.3-171.700000114
248S39.5Very low43.8Very low124 Ų124132.3 Ų132.387%0.86781%0.808SS**  trans-95.3106.2164.6-34.50000107.9
249N42.5Very low44Very low142 Ų142131.8 Ų131.876%0.75981%0.809SS**  trans-126.381.7170.7-153.164.7000107.3
250D52.4Low44Very low171 Ų171131.1 Ų131.191%0.91481%0.81SS**  trans-139.480163.6-82.9-51.3000109.1
251L52.8Low44Very low152 Ų152131 Ų13180%0.79681%0.811SS**  trans-86.4110.2163.4-178.579.1000105.7
252W53.2Low44.1Very low251 Ų251133.5 Ų133.595%0.95182%0.818SS**SBendtrans111.481.1174.4-75.871.4000117.4
253G48.9Very low44.3Very low81 Ų81133 Ų13384%0.83582%0.815SS**  trans168.561.7160.500000117
254D50Low44.3Very low147 Ų147134 Ų13479%0.78681%0.814SS**  trans-151.580.9156.2-164.114000112
255F48Very low44.1Very low204 Ų204138.2 Ų138.290%0.89583%0.825SS**  trans-127.675.2166.1-178.7-96.6000107
256S50.5Low44.5Very low99 Ų99135.9 Ų135.969%0.69282%0.819SS**  trans172.986.5152.9-790000110.6
257T43.2Very low44.9Very low121 Ų121136.2 Ų136.274%0.74282%0.819SS**  trans-155.7101.8146.2-600000109
258A40Very low45.5Very low102 Ų102140.1 Ų140.184%0.84382%0.821SS**  trans-79.9128161.500000108.1
259S38.2Very low46.1Very low106 Ų106139.8 Ų139.874%0.74182%0.816SS**  trans-137102.8166.2-72.50000109
260S45.2Very low46.5Very low122 Ų122138.8 Ų138.885%0.85382%0.82SS**  trans-53.6131.7171.947.50000113
261S40.1Very low46.2Very low116 Ų116137.4 Ų137.481%0.81181%0.812SS**  trans-154.9107.6143.251.30000110.7
262V43.2Very low45.6Very low142 Ų142142.4 Ų142.486%0.86182%0.821SS**  trans-118.6127.4165.8-171.50000106.2
263P45.4Very low45.5Very low123 Ų123136.3 Ų136.380%0.79981%0.811SS**  trans-97.6107.3160.328.4-18000110.6
264N39.2Very low45.2Very low154 Ų154140.4 Ų140.482%0.82481%0.808SS**  46.1106.4128.2-157.536000119.9
265Q41.3Very low44.7Very low198 Ų198146.6 Ų146.693%0.92583%0.828SS**  trans-146145.2144.1-131.7178.422.600111.6
266A47.3Very low44.5Very low82 Ų82143.7 Ų143.768%0.67883%0.825SS**  trans-65.1161.4-156.700000117.9
267P45.7Very low44.2Very low127 Ų127146.1 Ų146.183%0.82583%0.832SS**  trans-80.4130.1-173.630.7-32.2000113.2
268Q48.5Very low44.2Very low179 Ų179147.4 Ų147.484%0.83684%0.837SS**  trans-105.7133.6165.4-73-67.6-30.400109.4
269P52.6Low44.5Very low117 Ų117150.1 Ų150.176%0.7684%0.837SS**  trans-79141.5-175.630.5-33000113.1
270S51.7Low44.9Very low121 Ų121152.9 Ų152.985%0.84684%0.843SS**  trans-56135.9178.2-33.10000113.8
271N44.4Very low44.8Very low141 Ų141154.9 Ų154.975%0.75484%0.842SS**  trans-15091.2161.2-141.8-2.7000111.2
272W40Very low45.2Very low258 Ų258157.7 Ų157.798%0.97784%0.844SS**  trans-117.4109.5162.1-85.985.7000107.4
273V52.8Low45.3Very low123 Ų123158.9 Ų158.975%0.74584%0.843SS**  trans-91.8126.5169.7173.80000107.6
274Q41.5Very low45.3Very low167 Ų167161.9 Ų161.978%0.7885%0.847SS**  trans-91120.5169.8179.5178.7-22.700108.1
275F39.1Very low45.9Very low276 Ų276162.6 Ų162.6100%1.21185%0.849SS**  trans-1740136.6-93.3-67.4000109.3

Retrieved 275 of 275 residues in 480.7 ms (Link to these results)