X6RCC3_HUMAN Loading...

Small ArfGAP2

AlphaFold DB , UniProt , Accession X6RCC3, Species HUMAN (Homo sapiens, Human), Gene SMAP2, Length 174 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
1M30.6Very low38.4Very low244 Ų244180.5 Ų180.5100%1.20284%0.839SS**  091.50-160.4164.517600107.5K3M1-K3 PolarHBondContact O-N 3.28Å
2W28.6Very low39.5Very low208 Ų208181.2 Ų181.279%0.78883%0.828SS**PPolyproline II helixtrans-78.9116.6-174.6-178.2-90.8000109
3K24.6Very low39.5Very low182 Ų182178 Ų17879%0.79182%0.815SS**PPolyproline II helixtrans-77136.6173.9-75.5-170.3176-1780109.4M1 M5M1-K3 PolarHBondContact O-N 3.28Å; K3-M5 PolarHBondContact O-N 3.37Å
4P39.6Very low39.6Very low118 Ų118176.9 Ų176.977%0.76682%0.819SS**PPolyproline II helixtrans-68.8126.2177.3-1.313.7000110.2E6P4-E6 PolarHBondContact O-N 3.25Å; P4-E6 VanDerWaalsContact O-N 3.14Å
5M34.4Very low39.9Very low171 Ų171175.5 Ų175.584%0.84281%0.81SS**  trans-77.893.8168.6-159.6174.9-141.400107.3K3K3-M5 PolarHBondContact O-N 3.37Å
6E46.2Very low40.2Very low163 Ų163173.9 Ų173.976%0.76280%0.803SS**  trans-76.5132.6172.9-143.2174.5165.200108.5P4P4-E6 PolarHBondContact O-N 3.25Å; P4-E6 VanDerWaalsContact O-N 3.14Å
7H37.4Very low40.6Very low171 Ų171171.8 Ų171.879%0.79280%0.797SS**  trans151.5121.6141.9-80.478.5000110.3
8S40.8Very low41.6Very low121 Ų121170.9 Ų170.985%0.84679%0.787SS**  trans90.853.3171.878.20000119.4
9Q49.7Very low43Very low161 Ų161164.6 Ų164.675%0.75277%0.774SS**  trans-134.285153.6-72.7-176.225.200110.3
10R45.1Very low45Very low199 Ų199159.1 Ų159.175%0.75175%0.752SS**  trans-122.188.2167.3-171172.5-83.2-153.5-2.5109.8
11R45.6Very low47.3Very low247 Ų247158.5 Ų158.593%0.93274%0.743SS**  trans-133.8117.8142.7-74.5-158.1-159.7-178.17.7107.7
12R51.3Low50.4Low189 Ų189149 Ų14971%0.71369%0.694SS**  trans-76119.1-165.2-165.2-177.9-76.9141.5-11.4109.9
13Q39.3Very low53.7Low140 Ų140139.1 Ų139.165%0.65466%0.656SS**SBendtrans-163.586.2169.9-145.9157.49.100108.5F15Q13-F15 WeakPolarHBondContact O-CB 3.37Å; Q13-F15 PolarHBondContact O-N 3.01Å
14D40.7Very low57.2Low163 Ų163130.4 Ų130.487%0.87262%0.619SS**SBendtrans32.917.5161.7-51.7-26000121.2
15F44.4Very low60Low156 Ų156126.9 Ų126.968%0.68459%0.59SS**  trans-108.311.3177.6-94.7-87.8000112.3Q13 I17 Y18Q13-F15 WeakPolarHBondContact O-CB 3.37Å; Q13-F15 PolarHBondContact O-N 3.01Å; F15-I17 PolarHBondContact O-N 3.26Å; F15-Y18 PolarHBondContact O-N 3.23Å; F15-Y18 VanDerWaalsContact O-N 3.16Å
16E45.3Very low62.9Low149 Ų149120.3 Ų120.370%0.69656%0.558SS**THydrogen-bonded Turntrans-68.4-1.6-164.2-153.6142.7-178.500114.7
17I47.3Very low65.3Low139 Ų139112.8 Ų112.871%0.71352%0.523SS*.THydrogen-bonded Turntrans-104.2-23.4177.9-46.4-179.9000112.5F15F15-I17 PolarHBondContact O-N 3.26Å
18Y58.4Low68.2Low155 Ų155104.6 Ų104.661%0.60849%0.485SS*.SBendtrans-135.391.6-177.7-53.5-72.3000110F15F15-Y18 PolarHBondContact O-N 3.23Å; F15-Y18 VanDerWaalsContact O-N 3.16Å
19G67.6Low70.8Confident52 Ų5299 Ų9954%0.53645%0.446SS..  trans-51.8168.4171.300000113.2R21G19-R21 VanDerWaalsContact O-CG 3.31Å; G19-R21 WeakPolarHBondContact O-CG 3.3Å; G19-R21 PolarHBondContact O-N 3.36Å
20P82.9Confident73.1Confident53 Ų5395 Ų9534%0.34443%0.426SS..  trans-53.8114.4-176.722.4-33.8000111.7W22 F30 I31P20-W22 VanDerWaalsContact C-N 3.31Å; P20-W22 PolarHBondContact O-N 3.34Å; P20-F30 HydrophobicContact CB-CB 4Å; P20-F30 HydrophobicContact CG-CB 3.65Å; P20-I31 WeakPolarHBondContact CB-O 3.43Å
21R93.1Very high75.5Confident148 Ų14886.3 Ų86.356%0.55839%0.394SS*.  trans-87.84.1-175.9-56.7-155.3-61.6-145.52.3114.5G19 V52G19-R21 VanDerWaalsContact O-CG 3.31Å; G19-R21 WeakPolarHBondContact O-CG 3.3Å; G19-R21 PolarHBondContact O-N 3.36Å; R21-V52 WeakPolarHBondContact O-CG2 3.43Å; R21-V52 PolarHBondContact O-N 2.99Å
22W96.9Very high77.8Confident44 Ų4476.7 Ų76.717%0.16736%0.364CS..EExtended strand (participates in β ladder)trans-126.4155179.4-64.885000109.9P20 F30 I31 A36 R40 V49 K50P20-W22 VanDerWaalsContact C-N 3.31Å; P20-W22 PolarHBondContact O-N 3.34Å; W22-F30 WeakPolarHBondContact O-CA 3.38Å; W22-I31 CarbonylContact C-O 3.59Å; W22-I31 HydrophobicContact CB-CG1 4.03Å; W22-I31 WeakPolarHBondContact CB-O 3.43Å; W22-I31 PolarHBondContact N-O 2.86Å; W22-I31 PolarHBondContact O-N 2.82Å; W22-A36 HydrophobicContact CB-CB 3.8Å; W22-A36 HydrophobicContact CD2-CB 3.99Å; W22-A36 HydrophobicContact CE3-CB 4.29Å; W22-A36 HydrophobicContact CG-CB 3.79Å; W22-R40 VanDerWaalsContact CH2-NH2 3.25Å; W22-V49 HydrophobicContact CE3-CG1 3.89Å; W22-K50 WeakPolarHBondContact CA-O 3.26Å
23A97.9Very high79.9Confident0 Ų073.1 Ų73.10%036%0.358CS..EExtended strand (participates in β ladder)trans-144.8144.7179.800000110.9V29 F30 V49 K50 V52 W57 M65A23-V29 CarbonylContact C-O 3.58Å; A23-V29 WeakPolarHBondContact CA-O 3.34Å; A23-F30 HydrophobicContact CB-CD1 4Å; A23-F30 HydrophobicContact CB-CE1 4.31Å; A23-V49 CarbonylContact O-C 3.5Å; A23-V49 VanDerWaalsContact O-CA 3.29Å; A23-V49 WeakPolarHBondContact O-CA 3.32Å; A23-K50 PolarHBondContact N-O 2.96Å; A23-K50 PolarHBondContact O-N 2.71Å; A23-V52 HydrophobicContact CB-CG2 4.27Å; A23-W57 HydrophobicContact CB-CH2 3.78Å; A23-W57 HydrophobicContact CB-CZ2 4.17Å; A23-M65 HydrophobicContact CB-CE 3.65Å; A23-M65 HydrophobicContact CB-SD 4.07Å
24S98.1Very high82.5Confident0 Ų072.6 Ų72.60%035%0.35CS..EExtended strand (participates in β ladder)trans-96.2103162.3-179.50000107.9N26 I27 G28 V29 S47 R48S24-N26 PolarHBondContact OG-OD1 2.88Å; S24-N26 VanDerWaalsContact OG-OD1 3.08Å; S24-I27 PolarHBondContact O-N 3.04Å; S24-I27 WeakPolarHBondContact OG-CD1 3.47Å; S24-I27 WeakPolarHBondContact OG-CG1 3.33Å; S24-G28 WeakPolarHBondContact O-CA 3.35Å; S24-G28 PolarHBondContact O-N 3.06Å; S24-V29 PolarHBondContact N-O 2.84Å; S24-V29 PolarHBondContact O-N 2.76Å; S24-V29 VanDerWaalsContact O-N 3.11Å; S24-S47 WeakPolarHBondContact CB-OG 3.29Å; S24-S47 PolarHBondContact OG-OG 2.75Å; S24-R48 CarbonylContact C-O 3.52Å; S24-R48 VanDerWaalsContact CA-O 3.3Å; S24-R48 WeakPolarHBondContact CA-O 3.46Å
25W97.4Very high85.1Confident43 Ų4366.1 Ų66.116%0.16332%0.318CS..THydrogen-bonded Turntrans-76.3-31.5-168.166.1-98.7000113.2I27 G28 R48 W57 Q61 C64 M65W25-I27 VanDerWaalsContact C-N 3.31Å; W25-G28 PolarHBondContact O-N 3.2Å; W25-R48 HydrophobicContact CD2-CB 4.42Å; W25-R48 HydrophobicContact CZ2-CB 4.09Å; W25-R48 HydrophobicContact CZ2-CG 4.35Å; W25-R48 PolarHBondContact N-O 2.83Å; W25-R48 VanDerWaalsContact NE1-CB 3.33Å; W25-W57 HydrophobicContact CB-CH2 3.81Å; W25-W57 HydrophobicContact CB-CZ3 3.5Å; W25-W57 VanDerWaalsContact CB-CZ3 3.5Å; W25-W57 HydrophobicContact CG-CZ3 4.4Å; W25-Q61 HydrophobicContact CB-CB 4.44Å; W25-Q61 HydrophobicContact CD2-CB 4.32Å; W25-Q61 HydrophobicContact CD2-CG 3.78Å; W25-Q61 HydrophobicContact CE3-CB 4.26Å; W25-Q61 HydrophobicContact CE3-CG 3.7Å; W25-Q61 HydrophobicContact CG-CB 4.42Å; W25-Q61 HydrophobicContact CG-CG 4.29Å; W25-Q61 HydrophobicContact CH2-CG 4.31Å; W25-Q61 HydrophobicContact CZ2-CG 4.39Å; W25-Q61 HydrophobicContact CZ3-CG 3.99Å; W25-C64 WeakPolarHBondContact O-CB 3.17Å; W25-M65 HydrophobicContact CB-SD 4.27Å
26N96.4Very high87.6Confident34 Ų3458.7 Ų58.718%0.18229%0.285CS..THydrogen-bonded Turntrans-75.3-23.9177.973.6-54.7000112S24 I46 S47 R48 R118S24-N26 PolarHBondContact OG-OD1 2.88Å; S24-N26 VanDerWaalsContact OG-OD1 3.08Å; N26-I46 PolarHBondContact ND2-O 2.81Å; N26-S47 WeakPolarHBondContact OD1-CA 3.27Å; N26-R48 HydrophobicContact CB-CB 4.26Å; N26-R48 HydrophobicContact CB-CG 4.25Å; N26-R48 PolarHBondContact OD1-N 3.38Å; N26-R118 PolarHBondContact O-NH2 3.39Å
27I96.5Very high90Very high4 Ų452.9 Ų52.92%0.02127%0.265CS..THydrogen-bonded Turntrans-85.9-40.3171.5-61177.5000109.3S24 W25 V29 M68 Y77 Y102 R118S24-I27 PolarHBondContact O-N 3.04Å; S24-I27 WeakPolarHBondContact OG-CD1 3.47Å; S24-I27 WeakPolarHBondContact OG-CG1 3.33Å; W25-I27 VanDerWaalsContact C-N 3.31Å; I27-V29 HydrophobicContact CB-CG2 4.14Å; I27-V29 HydrophobicContact CG2-CG1 3.96Å; I27-V29 HydrophobicContact CG2-CG2 3.87Å; I27-M68 WeakPolarHBondContact O-CG 3.23Å; I27-Y77 HydrophobicContact CG2-CE2 3.81Å; I27-Y102 HydrophobicContact CD1-CD1 3.92Å; I27-Y102 HydrophobicContact CD1-CE1 4.35Å; I27-Y102 HydrophobicContact CD1-CG 4.12Å; I27-Y102 HydrophobicContact CG2-CD1 4.18Å; I27-Y102 HydrophobicContact CG2-CE1 3.89Å; I27-R118 PolarHBondContact O-NH2 2.99Å
28G96.6Very high92.4Very high0 Ų047 Ų470%024%0.235CC..THydrogen-bonded Turntrans94.535.1-177.800000113.3S24 W25 G69S24-G28 WeakPolarHBondContact O-CA 3.35Å; S24-G28 PolarHBondContact O-N 3.06Å; W25-G28 PolarHBondContact O-N 3.2Å; G28-G69 CarbonylContact O-C 3.56Å; G28-G69 WeakPolarHBondContact O-CA 3.47Å; G28-G69 PolarHBondContact O-N 3.49Å
29V97.2Very high94.3Very high2 Ų239.8 Ų39.81%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-124.3141.5-176.5-670000112.9A23 S24 I27 I31 N70 A73A23-V29 CarbonylContact C-O 3.58Å; A23-V29 WeakPolarHBondContact CA-O 3.34Å; S24-V29 PolarHBondContact N-O 2.84Å; S24-V29 PolarHBondContact O-N 2.76Å; S24-V29 VanDerWaalsContact O-N 3.11Å; I27-V29 HydrophobicContact CB-CG2 4.14Å; I27-V29 HydrophobicContact CG2-CG1 3.96Å; I27-V29 HydrophobicContact CG2-CG2 3.87Å; V29-I31 HydrophobicContact CG2-CG2 4.09Å; V29-N70 VanDerWaalsContact CA-OD1 3.23Å; V29-N70 WeakPolarHBondContact CA-OD1 3.49Å; V29-N70 WeakPolarHBondContact CB-OD1 3.48Å; V29-A73 HydrophobicContact CG1-CB 3.24Å
30F97.3Very high95.7Very high79 Ų7943.1 Ų43.135%0.34620%0.203SC..EExtended strand (participates in β ladder)trans-89.1133.2168.2-64.8-81.4000110.4P20 W22 A23 V52 M65 N70P20-F30 HydrophobicContact CB-CB 4Å; P20-F30 HydrophobicContact CG-CB 3.65Å; W22-F30 WeakPolarHBondContact O-CA 3.38Å; A23-F30 HydrophobicContact CB-CD1 4Å; A23-F30 HydrophobicContact CB-CE1 4.31Å; F30-V52 HydrophobicContact CD1-CG2 3.99Å; F30-V52 HydrophobicContact CE1-CG2 3.93Å; F30-M65 HydrophobicContact CD1-CE 3.89Å; F30-M65 HydrophobicContact CD2-CE 3.73Å; F30-M65 HydrophobicContact CE1-CE 3.68Å; F30-M65 HydrophobicContact CE2-CE 3.51Å; F30-M65 HydrophobicContact CG-CE 3.91Å; F30-M65 HydrophobicContact CZ-CE 3.49Å; F30-M65 VanDerWaalsContact CZ-CE 3.49Å; F30-N70 PolarHBondContact N-OD1 2.68Å; F30-N70 PolarHBondContact O-ND2 3.13Å; F30-N70 PolarHBondContact O-OD1 3.4Å
31I95.8Very high96.4Very high16 Ų1645.5 Ų45.58%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-135.9155.6-172.956.9-179.7000110.6P20 W22 V29 C35 A36 H39 V49P20-I31 WeakPolarHBondContact CB-O 3.43Å; W22-I31 CarbonylContact C-O 3.59Å; W22-I31 HydrophobicContact CB-CG1 4.03Å; W22-I31 WeakPolarHBondContact CB-O 3.43Å; W22-I31 PolarHBondContact N-O 2.86Å; W22-I31 PolarHBondContact O-N 2.82Å; V29-I31 HydrophobicContact CG2-CG2 4.09Å; I31-C35 HydrophobicContact CB-CB 3.97Å; I31-C35 HydrophobicContact CG2-CB 4.44Å; I31-A36 HydrophobicContact CD1-CB 4.09Å; I31-A36 HydrophobicContact CG1-CB 4.37Å; I31-H39 HydrophobicContact CD1-CB 4.06Å; I31-V49 HydrophobicContact CD1-CG1 4.48Å; I31-V49 HydrophobicContact CD1-CG2 4.42Å
32C94.3Very high96.6Very high44 Ų4438.8 Ų38.830%0.29719%0.188SC..  trans-77.1169.2173.572.20000111R34 C35 A36C32-R34 VanDerWaalsContact C-N 3.27Å; C32-R34 PolarHBondContact O-N 2.9Å; C32-C35 PolarHBondContact O-N 2.87Å; C32-C35 PolarHBondContact SG-N 3.44Å; C32-A36 WeakPolarHBondContact O-CB 3.32Å; C32-A36 PolarHBondContact O-N 3.03Å
33I94.1Very high96.6Very high114 Ų11437.7 Ų37.759%0.58519%0.191SC*.Hα-helixtrans-58.9-36.1179.3-169.9167.8000113.1A36 G37I33-A36 WeakPolarHBondContact O-CB 3.3Å; I33-A36 PolarHBondContact O-N 3.5Å; I33-G37 PolarHBondContact O-N 3.3Å
34R93.8Very high96.5Very high129 Ų12942.7 Ų42.749%0.48722%0.221SC..Hα-helixtrans-64-52.7176.9-65.3-169-69.6153.8-6.4111.1C32 A36 G37 I38 Q89 D91C32-R34 VanDerWaalsContact C-N 3.27Å; C32-R34 PolarHBondContact O-N 2.9Å; R34-A36 PolarHBondContact O-N 3.06Å; R34-G37 PolarHBondContact O-N 3.24Å; R34-G37 VanDerWaalsContact O-N 3.1Å; R34-I38 PolarHBondContact O-N 2.9Å; R34-Q89 PolarHBondContact NH1-O 3.28Å; R34-D91 IonicContact NH1-OD1 2.76Å; R34-D91 PolarHBondContact NH1-OD1 3.35Å; R34-D91 VanDerWaalsContact NH1-OD1 3.15Å
35C95.6Very high96.5Very high28 Ų2849.8 Ų49.819%0.18925%0.254CS..Hα-helixtrans-62.1-33176.4-64.30000112.2I31 C32 G37 I38 H39 I98I31-C35 HydrophobicContact CB-CB 3.97Å; I31-C35 HydrophobicContact CG2-CB 4.44Å; C32-C35 PolarHBondContact O-N 2.87Å; C32-C35 PolarHBondContact SG-N 3.44Å; C35-G37 VanDerWaalsContact C-N 3.28Å; C35-G37 PolarHBondContact O-N 3.49Å; C35-I38 PolarHBondContact O-N 3.49Å; C35-H39 WeakPolarHBondContact O-CB 3.48Å; C35-H39 PolarHBondContact O-CD2 3.3Å; C35-H39 VanDerWaalsContact O-CD2 3.23Å; C35-H39 PolarHBondContact O-N 3.25Å; C35-I98 HydrophobicContact CB-CD1 4.05Å
36A96.6Very high96.4Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-59.4-37.8174.700000112.3W22 I31 C32 I33 R34 R40 V49W22-A36 HydrophobicContact CB-CB 3.8Å; W22-A36 HydrophobicContact CD2-CB 3.99Å; W22-A36 HydrophobicContact CE3-CB 4.29Å; W22-A36 HydrophobicContact CG-CB 3.79Å; I31-A36 HydrophobicContact CD1-CB 4.09Å; I31-A36 HydrophobicContact CG1-CB 4.37Å; C32-A36 WeakPolarHBondContact O-CB 3.32Å; C32-A36 PolarHBondContact O-N 3.03Å; I33-A36 WeakPolarHBondContact O-CB 3.3Å; I33-A36 PolarHBondContact O-N 3.5Å; R34-A36 PolarHBondContact O-N 3.06Å; A36-R40 WeakPolarHBondContact O-CG 3.21Å; A36-R40 PolarHBondContact O-N 3.14Å; A36-V49 HydrophobicContact CB-CG1 3.86Å
37G96.3Very high96.5Very high27 Ų2747.7 Ų47.728%0.27825%0.246SC..Hα-helixtrans-60.9-50.417200000112.2I33 R34 C35 H39 R40 N41I33-G37 PolarHBondContact O-N 3.3Å; R34-G37 PolarHBondContact O-N 3.24Å; R34-G37 VanDerWaalsContact O-N 3.1Å; C35-G37 VanDerWaalsContact C-N 3.28Å; C35-G37 PolarHBondContact O-N 3.49Å; G37-H39 VanDerWaalsContact C-N 3.34Å; G37-H39 PolarHBondContact O-N 3.31Å; G37-R40 WeakPolarHBondContact O-CB 3.37Å; G37-R40 PolarHBondContact O-N 3.39Å; G37-R40 VanDerWaalsContact O-N 3.11Å; G37-N41 PolarHBondContact O-N 3.31Å
38I97.4Very high96.6Very high16 Ų1653.1 Ų53.18%0.08227%0.266CS..Hα-helixtrans-61.4-43179.2-59.4168.5000111.2R34 C35 R40 N41 L42 V94 E95 I98R34-I38 PolarHBondContact O-N 2.9Å; C35-I38 PolarHBondContact O-N 3.49Å; I38-R40 PolarHBondContact O-N 3.05Å; I38-N41 WeakPolarHBondContact O-CB 3.3Å; I38-N41 PolarHBondContact O-N 3.2Å; I38-L42 PolarHBondContact O-N 3.05Å; I38-V94 HydrophobicContact CD1-CB 4.23Å; I38-V94 HydrophobicContact CD1-CG1 3.7Å; I38-E95 HydrophobicContact CD1-CB 4.2Å; I38-E95 HydrophobicContact CG1-CB 4.38Å; I38-E95 HydrophobicContact CG2-CB 3.98Å; I38-E95 HydrophobicContact CG2-CG 3.93Å; I38-I98 HydrophobicContact CB-CD1 4.06Å; I38-I98 HydrophobicContact CD1-CD1 3.93Å; I38-I98 HydrophobicContact CG2-CB 3.97Å; I38-I98 HydrophobicContact CG2-CD1 3.89Å; I38-I98 HydrophobicContact CG2-CG2 3.76Å
39H97.9Very high96.7Very high2 Ų254.4 Ų54.41%0.00927%0.274CS..Hα-helixtrans-62.8-28177.7-90.4-101.5000113.2I31 C35 G37 S47 V49 Y102I31-H39 HydrophobicContact CD1-CB 4.06Å; C35-H39 WeakPolarHBondContact O-CB 3.48Å; C35-H39 PolarHBondContact O-CD2 3.3Å; C35-H39 VanDerWaalsContact O-CD2 3.23Å; C35-H39 PolarHBondContact O-N 3.25Å; G37-H39 VanDerWaalsContact C-N 3.34Å; G37-H39 PolarHBondContact O-N 3.31Å; H39-S47 PolarHBondContact ND1-OG 3.44Å; H39-V49 HydrophobicContact CB-CG2 3.52Å; H39-Y102 AromaticContact CE1-CD2 3.58Å; H39-Y102 AromaticContact CE1-CE2 3.38Å; H39-Y102 WeakPolarHBondContact CE1-CE2 3.48Å; H39-Y102 AromaticContact NE2-CD2 3.86Å; H39-Y102 AromaticContact NE2-CE2 3.42Å; H39-Y102 WeakPolarHBondContact NE2-CE2 3.31Å
40R97.6Very high96.7Very high123 Ų12356.2 Ų56.246%0.46428%0.281SS..Hα-helixtrans-68.7-37.8171.6-70.9173.2179.7114.4-2.7111.3W22 A36 G37 I38 L42 G43 V49W22-R40 VanDerWaalsContact CH2-NH2 3.25Å; A36-R40 WeakPolarHBondContact O-CG 3.21Å; A36-R40 PolarHBondContact O-N 3.14Å; G37-R40 WeakPolarHBondContact O-CB 3.37Å; G37-R40 PolarHBondContact O-N 3.39Å; G37-R40 VanDerWaalsContact O-N 3.11Å; I38-R40 PolarHBondContact O-N 3.05Å; R40-L42 PolarHBondContact O-N 3.41Å; R40-G43 PolarHBondContact O-N 3.25Å; R40-V49 HydrophobicContact CG-CB 4.39Å; R40-V49 HydrophobicContact CG-CG2 4.34Å
41N97.3Very high96.7Very high103 Ų10352.6 Ų52.655%0.55127%0.266SS*.Hα-helixtrans-68.9-15178.8-61.9-7.5000113.5G37 I38 G43G37-N41 PolarHBondContact O-N 3.31Å; I38-N41 WeakPolarHBondContact O-CB 3.3Å; I38-N41 PolarHBondContact O-N 3.2Å; N41-G43 VanDerWaalsContact C-N 3.31Å
42L97Very high96.6Very high6 Ų654.2 Ų54.23%0.03128%0.277CS..THydrogen-bonded Turntrans-73.7-23.4170.7-56.8-179000112.6I38 R40 H45 I46 I98 R99I38-L42 PolarHBondContact O-N 3.05Å; R40-L42 PolarHBondContact O-N 3.41Å; L42-H45 PolarHBondContact O-CE1 3Å; L42-I46 HydrophobicContact CB-CB 4.08Å; L42-I46 HydrophobicContact CB-CD1 4.28Å; L42-I46 HydrophobicContact CB-CG2 4.22Å; L42-I46 HydrophobicContact CD1-CG2 4.05Å; L42-I46 WeakPolarHBondContact O-CD1 3.31Å; L42-I98 HydrophobicContact CD1-CG2 3.91Å; L42-R99 HydrophobicContact CD2-CB 4.49Å; L42-R99 HydrophobicContact CD2-CG 3.56Å
43G97.2Very high96.5Very high22 Ų2258.4 Ų58.423%0.22730%0.296CS..  trans87156.7-175.300000114.7R40 N41 H45 I46 S47R40-G43 PolarHBondContact O-N 3.25Å; N41-G43 VanDerWaalsContact C-N 3.31Å; G43-H45 PolarHBondContact O-N 3.49Å; G43-I46 PolarHBondContact O-N 3.07Å; G43-S47 PolarHBondContact O-N 3.45Å
44V97.1Very high96.5Very high105 Ų10559.9 Ų59.964%0.63631%0.305SS*.THydrogen-bonded Turntrans-68.8-14.1-170.8-61.60000115.2I46 R48V44-I46 VanDerWaalsContact C-N 3.34Å; V44-R48 HydrophobicContact CB-CG 4.43Å; V44-R48 VanDerWaalsContact O-CG 3.32Å; V44-R48 WeakPolarHBondContact O-CG 3.2Å; V44-R48 PolarHBondContact O-NE 3.33Å; V44-R48 VanDerWaalsContact O-NE 3.11Å
45H96.5Very high96.7Very high149 Ų14957.2 Ų57.269%0.6930%0.3SS*.THydrogen-bonded Turntrans-78.2-2317464.6-75.6000111.6L42 G43L42-H45 PolarHBondContact O-CE1 3Å; G43-H45 PolarHBondContact O-N 3.49Å
46I96.6Very high96.7Very high29 Ų2964.3 Ų64.315%0.14933%0.33CS..THydrogen-bonded Turntrans-101.3-53176.7-53.7-175.9000110.4N26 L42 G43 V44 E103N26-I46 PolarHBondContact ND2-O 2.81Å; L42-I46 HydrophobicContact CB-CB 4.08Å; L42-I46 HydrophobicContact CB-CD1 4.28Å; L42-I46 HydrophobicContact CB-CG2 4.22Å; L42-I46 HydrophobicContact CD1-CG2 4.05Å; L42-I46 WeakPolarHBondContact O-CD1 3.31Å; G43-I46 PolarHBondContact O-N 3.07Å; V44-I46 VanDerWaalsContact C-N 3.34Å; I46-E103 HydrophobicContact CD1-CB 3.81Å; I46-E103 HydrophobicContact CD1-CG 3.75Å
47S98Very high96.8Very high4 Ų467.1 Ų67.13%0.02834%0.341CS..  trans-138.8131.1-172.4179.60000111.7S24 N26 H39 G43S24-S47 WeakPolarHBondContact CB-OG 3.29Å; S24-S47 PolarHBondContact OG-OG 2.75Å; N26-S47 WeakPolarHBondContact OD1-CA 3.27Å; H39-S47 PolarHBondContact ND1-OG 3.44Å; G43-S47 PolarHBondContact O-N 3.45Å
48R98.1Very high96.9Very high118 Ų11868.8 Ų68.845%0.44535%0.345SS..  trans-117.5106.8178-60.2-176.4-177.4180-1.8108.7S24 W25 N26 V44S24-R48 CarbonylContact C-O 3.52Å; S24-R48 VanDerWaalsContact CA-O 3.3Å; S24-R48 WeakPolarHBondContact CA-O 3.46Å; W25-R48 HydrophobicContact CD2-CB 4.42Å; W25-R48 HydrophobicContact CZ2-CB 4.09Å; W25-R48 HydrophobicContact CZ2-CG 4.35Å; W25-R48 PolarHBondContact N-O 2.83Å; W25-R48 VanDerWaalsContact NE1-CB 3.33Å; N26-R48 HydrophobicContact CB-CB 4.26Å; N26-R48 HydrophobicContact CB-CG 4.25Å; N26-R48 PolarHBondContact OD1-N 3.38Å; V44-R48 HydrophobicContact CB-CG 4.43Å; V44-R48 VanDerWaalsContact O-CG 3.32Å; V44-R48 WeakPolarHBondContact O-CG 3.2Å; V44-R48 PolarHBondContact O-NE 3.33Å; V44-R48 VanDerWaalsContact O-NE 3.11Å
49V98.2Very high96.8Very high27 Ų2773.9 Ų73.916%0.16437%0.369CS..EExtended strand (participates in β ladder)trans-96.4135.5-170.5-178.50000111W22 A23 I31 A36 H39 R40W22-V49 HydrophobicContact CE3-CG1 3.89Å; A23-V49 CarbonylContact O-C 3.5Å; A23-V49 VanDerWaalsContact O-CA 3.29Å; A23-V49 WeakPolarHBondContact O-CA 3.32Å; I31-V49 HydrophobicContact CD1-CG1 4.48Å; I31-V49 HydrophobicContact CD1-CG2 4.42Å; A36-V49 HydrophobicContact CB-CG1 3.86Å; H39-V49 HydrophobicContact CB-CG2 3.52Å; R40-V49 HydrophobicContact CG-CB 4.39Å; R40-V49 HydrophobicContact CG-CG2 4.34Å
50K97.8Very high96.7Very high39 Ų3979.5 Ų79.517%0.1740%0.395CS..EExtended strand (participates in β ladder)trans-134.8149.3171.1-76.2-171.9172.1-168.80111.2W22 A23 D55 Q56 W57W22-K50 WeakPolarHBondContact CA-O 3.26Å; A23-K50 PolarHBondContact N-O 2.96Å; A23-K50 PolarHBondContact O-N 2.71Å; K50-D55 VanDerWaalsContact CA-OD2 3.28Å; K50-D55 WeakPolarHBondContact CA-OD2 3.46Å; K50-D55 HydrophobicContact CB-CB 4.1Å; K50-D55 HydrophobicContact CD-CB 4.26Å; K50-D55 HydrophobicContact CG-CB 4.2Å; K50-Q56 PolarHBondContact NZ-O 2.98Å; K50-W57 HydrophobicContact CB-CH2 4.1Å; K50-W57 HydrophobicContact CB-CZ2 3.5Å; K50-W57 HydrophobicContact CD-CD2 4.33Å; K50-W57 HydrophobicContact CD-CZ2 4.36Å
51S96.9Very high96.7Very high4 Ų474.8 Ų74.83%0.02838%0.378CS..EExtended strand (participates in β ladder)trans-71135.5164.1179.70000109.4N53 L54 D55 W57S51-N53 VanDerWaalsContact C-N 3.27Å; S51-N53 PolarHBondContact O-N 3.33Å; S51-L54 WeakPolarHBondContact OG-CB 3.25Å; S51-L54 WeakPolarHBondContact OG-CG 3.17Å; S51-L54 PolarHBondContact OG-N 2.92Å; S51-D55 PolarHBondContact N-OD2 3.27Å; S51-W57 PolarHBondContact O-NE1 3.48Å
52V95.4Very high96.6Very high50 Ų5072.5 Ų72.530%0.30337%0.366SS..THydrogen-bonded Turntrans-65.5-34.5-179.1178.30000111.1R21 A23 F30R21-V52 WeakPolarHBondContact O-CG2 3.43Å; R21-V52 PolarHBondContact O-N 2.99Å; A23-V52 HydrophobicContact CB-CG2 4.27Å; F30-V52 HydrophobicContact CD1-CG2 3.99Å; F30-V52 HydrophobicContact CE1-CG2 3.93Å
53N91.7Very high96.5Very high131 Ų13176.5 Ų76.570%0.70138%0.384SS*.THydrogen-bonded Turntrans-112.4-20.6-172.2-61.237.6000113.5S51S51-N53 VanDerWaalsContact C-N 3.27Å; S51-N53 PolarHBondContact O-N 3.33Å
54L94.5Very high96.4Very high146 Ų14676.5 Ų76.576%0.76438%0.38SS*.THydrogen-bonded Turntrans-102.6-20.8-172.2-55.3172.7000113.4S51S51-L54 WeakPolarHBondContact OG-CB 3.25Å; S51-L54 WeakPolarHBondContact OG-CG 3.17Å; S51-L54 PolarHBondContact OG-N 2.92Å
55D96.8Very high96.3Very high72 Ų7272.3 Ų72.339%0.38535%0.354SS..SBendtrans-99.3153.4179.1-71.7-42.6000111.2K50 S51K50-D55 VanDerWaalsContact CA-OD2 3.28Å; K50-D55 WeakPolarHBondContact CA-OD2 3.46Å; K50-D55 HydrophobicContact CB-CB 4.1Å; K50-D55 HydrophobicContact CD-CB 4.26Å; K50-D55 HydrophobicContact CG-CB 4.2Å; S51-D55 PolarHBondContact N-OD2 3.27Å
56Q96.9Very high96.2Very high177 Ų17770.7 Ų70.783%0.82735%0.347SS*.  trans-76.3138.7170.4-64.3-178.935.600110.4K50K50-Q56 PolarHBondContact NZ-O 2.98Å
57W97.6Very high96Very high60 Ų6072 Ų7223%0.22735%0.352CS..  trans-117.8136.4-179.4-72.177.9000110.6A23 W25 K50 S51 Q61 I62 M65A23-W57 HydrophobicContact CB-CH2 3.78Å; A23-W57 HydrophobicContact CB-CZ2 4.17Å; W25-W57 HydrophobicContact CB-CH2 3.81Å; W25-W57 HydrophobicContact CB-CZ3 3.5Å; W25-W57 VanDerWaalsContact CB-CZ3 3.5Å; W25-W57 HydrophobicContact CG-CZ3 4.4Å; K50-W57 HydrophobicContact CB-CH2 4.1Å; K50-W57 HydrophobicContact CB-CZ2 3.5Å; K50-W57 HydrophobicContact CD-CD2 4.33Å; K50-W57 HydrophobicContact CD-CZ2 4.36Å; S51-W57 PolarHBondContact O-NE1 3.48Å; W57-Q61 HydrophobicContact CE3-CB 3.69Å; W57-Q61 HydrophobicContact CZ3-CB 4.12Å; W57-I62 HydrophobicContact CB-CD1 4.09Å; W57-I62 HydrophobicContact CB-CG1 3.94Å; W57-I62 HydrophobicContact CE3-CG1 4.3Å; W57-M65 HydrophobicContact CH2-CG 4.16Å; W57-M65 HydrophobicContact CH2-SD 4.47Å; W57-M65 HydrophobicContact CZ3-CG 3.75Å; W57-M65 HydrophobicContact CZ3-SD 4.49Å
58T97.9Very high95.7Very high61 Ų6172.1 Ų72.137%0.37435%0.353SS..  trans-87.1160.5168.279.70000110E60 Q61 I62T58-E60 WeakPolarHBondContact CB-OE2 3.4Å; T58-E60 PolarHBondContact O-N 3.3Å; T58-E60 PolarHBondContact OG1-OE2 3.5Å; T58-Q61 WeakPolarHBondContact O-CB 3.46Å; T58-Q61 PolarHBondContact O-N 3.05Å; T58-Q61 VanDerWaalsContact O-N 3.13Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.19Å; T58-Q61 PolarHBondContact OG1-N 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.33Å; T58-I62 PolarHBondContact O-N 3.11Å; T58-I62 VanDerWaalsContact O-N 3.09Å
59Q96.6Very high95.5Very high123 Ų12367.1 Ų67.158%0.57534%0.338SS*.Hα-helixtrans-61-37.2-178.9-171.760.72100111.8Q61 I62 Q63Q59-Q61 VanDerWaalsContact C-N 3.31Å; Q59-Q61 PolarHBondContact O-N 3.14Å; Q59-I62 PolarHBondContact O-N 2.99Å; Q59-Q63 WeakPolarHBondContact O-CB 3.49Å; Q59-Q63 PolarHBondContact O-N 3.4Å
60E95.6Very high95.2Very high121 Ų12168 Ų6857%0.56534%0.342SS*.Hα-helixtrans-66.4-35.9178.8-54.169.7-147.600111T58 Q63 C64T58-E60 WeakPolarHBondContact CB-OE2 3.4Å; T58-E60 PolarHBondContact O-N 3.3Å; T58-E60 PolarHBondContact OG1-OE2 3.5Å; E60-Q63 PolarHBondContact O-N 2.95Å; E60-C64 PolarHBondContact O-N 2.89Å; E60-C64 PolarHBondContact O-SG 3.09Å
61Q96.5Very high95Very high23 Ų2368.5 Ų68.511%0.10736%0.358CS..Hα-helixtrans-70.4-39.7177.5-66.3162.81.500111W25 W57 T58 Q59 Q63 C64 M65W25-Q61 HydrophobicContact CB-CB 4.44Å; W25-Q61 HydrophobicContact CD2-CB 4.32Å; W25-Q61 HydrophobicContact CD2-CG 3.78Å; W25-Q61 HydrophobicContact CE3-CB 4.26Å; W25-Q61 HydrophobicContact CE3-CG 3.7Å; W25-Q61 HydrophobicContact CG-CB 4.42Å; W25-Q61 HydrophobicContact CG-CG 4.29Å; W25-Q61 HydrophobicContact CH2-CG 4.31Å; W25-Q61 HydrophobicContact CZ2-CG 4.39Å; W25-Q61 HydrophobicContact CZ3-CG 3.99Å; W57-Q61 HydrophobicContact CE3-CB 3.69Å; W57-Q61 HydrophobicContact CZ3-CB 4.12Å; T58-Q61 WeakPolarHBondContact O-CB 3.46Å; T58-Q61 PolarHBondContact O-N 3.05Å; T58-Q61 VanDerWaalsContact O-N 3.13Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.19Å; T58-Q61 PolarHBondContact OG1-N 3.28Å; Q59-Q61 VanDerWaalsContact C-N 3.31Å; Q59-Q61 PolarHBondContact O-N 3.14Å; Q61-Q63 VanDerWaalsContact C-N 3.32Å; Q61-C64 PolarHBondContact O-N 2.65Å; Q61-M65 WeakPolarHBondContact O-CG 3.37Å; Q61-M65 PolarHBondContact O-N 3.13Å
62I95.9Very high94.8Very high55 Ų5569.7 Ų69.728%0.28236%0.363SS..Hα-helixtrans-63.1-43.6173.6-64.1169.9000109.8W57 T58 Q59 C64 M65 Q66W57-I62 HydrophobicContact CB-CD1 4.09Å; W57-I62 HydrophobicContact CB-CG1 3.94Å; W57-I62 HydrophobicContact CE3-CG1 4.3Å; T58-I62 WeakPolarHBondContact O-CG1 3.33Å; T58-I62 PolarHBondContact O-N 3.11Å; T58-I62 VanDerWaalsContact O-N 3.09Å; Q59-I62 PolarHBondContact O-N 2.99Å; I62-C64 PolarHBondContact O-N 3.13Å; I62-M65 WeakPolarHBondContact O-CB 3.34Å; I62-M65 PolarHBondContact O-N 3.45Å; I62-M65 VanDerWaalsContact O-N 3.11Å; I62-Q66 WeakPolarHBondContact O-CG 3.48Å; I62-Q66 PolarHBondContact O-N 2.75Å
63Q95Very high94.7Very high90 Ų9067.3 Ų67.342%0.42135%0.348SS..Hα-helixtrans-60.3-44176.8-176.8173.6-0.400111.9Q59 E60 Q61 M65 Q66 E67Q59-Q63 WeakPolarHBondContact O-CB 3.49Å; Q59-Q63 PolarHBondContact O-N 3.4Å; E60-Q63 PolarHBondContact O-N 2.95Å; Q61-Q63 VanDerWaalsContact C-N 3.32Å; Q63-M65 PolarHBondContact O-N 3.47Å; Q63-Q66 PolarHBondContact O-N 3.4Å; Q63-E67 HydrophobicContact CG-CG 4.12Å; Q63-E67 VanDerWaalsContact CG-OE1 3.3Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.35Å; Q63-E67 PolarHBondContact NE2-OE1 3.24Å; Q63-E67 WeakPolarHBondContact O-CG 3.35Å; Q63-E67 PolarHBondContact O-N 3.08Å
64C95Very high94.7Very high22 Ų2263.8 Ų63.815%0.14933%0.33CS..Hα-helixtrans-54.9-37.9174.3-67.10000112.6W25 E60 Q61 I62 M68W25-C64 WeakPolarHBondContact O-CB 3.17Å; E60-C64 PolarHBondContact O-N 2.89Å; E60-C64 PolarHBondContact O-SG 3.09Å; Q61-C64 PolarHBondContact O-N 2.65Å; I62-C64 PolarHBondContact O-N 3.13Å; C64-M68 PolarHBondContact O-N 2.65Å
65M95.6Very high94.6Very high17 Ų1765.4 Ų65.48%0.08433%0.325CS..Hα-helixtrans-70.7-38.6177.4-65.3-59.6-61.100112.4A23 W25 F30 W57 Q61 I62 Q63 G69A23-M65 HydrophobicContact CB-CE 3.65Å; A23-M65 HydrophobicContact CB-SD 4.07Å; W25-M65 HydrophobicContact CB-SD 4.27Å; F30-M65 HydrophobicContact CD1-CE 3.89Å; F30-M65 HydrophobicContact CD2-CE 3.73Å; F30-M65 HydrophobicContact CE1-CE 3.68Å; F30-M65 HydrophobicContact CE2-CE 3.51Å; F30-M65 HydrophobicContact CG-CE 3.91Å; F30-M65 HydrophobicContact CZ-CE 3.49Å; F30-M65 VanDerWaalsContact CZ-CE 3.49Å; W57-M65 HydrophobicContact CH2-CG 4.16Å; W57-M65 HydrophobicContact CH2-SD 4.47Å; W57-M65 HydrophobicContact CZ3-CG 3.75Å; W57-M65 HydrophobicContact CZ3-SD 4.49Å; Q61-M65 WeakPolarHBondContact O-CG 3.37Å; Q61-M65 PolarHBondContact O-N 3.13Å; I62-M65 WeakPolarHBondContact O-CB 3.34Å; I62-M65 PolarHBondContact O-N 3.45Å; I62-M65 VanDerWaalsContact O-N 3.11Å; Q63-M65 PolarHBondContact O-N 3.47Å; M65-G69 PolarHBondContact O-N 3.3Å; M65-G69 VanDerWaalsContact O-N 3.14Å
66Q92.9Very high94.4Very high116 Ų11662 Ų6254%0.54231%0.307SS..Hα-helixtrans-70.3-38.6178.6-70177-15.500112.5I62 Q63 M68I62-Q66 WeakPolarHBondContact O-CG 3.48Å; I62-Q66 PolarHBondContact O-N 2.75Å; Q63-Q66 PolarHBondContact O-N 3.4Å; Q66-M68 VanDerWaalsContact C-N 3.3Å; Q66-M68 PolarHBondContact O-N 3.44Å
67E93.1Very high94.2Very high55 Ų5554.2 Ų54.226%0.25727%0.27SS..Hα-helixtrans-72.6-22.8-177.3-73.117717300113.5Q63 K72 R118Q63-E67 HydrophobicContact CG-CG 4.12Å; Q63-E67 VanDerWaalsContact CG-OE1 3.3Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.35Å; Q63-E67 PolarHBondContact NE2-OE1 3.24Å; Q63-E67 WeakPolarHBondContact O-CG 3.35Å; Q63-E67 PolarHBondContact O-N 3.08Å; E67-K72 VanDerWaalsContact O-CD 3.27Å; E67-K72 WeakPolarHBondContact O-CD 3.04Å; E67-K72 PolarHBondContact O-NZ 3.19Å; E67-R118 HydrophobicContact CB-CB 4.01Å; E67-R118 HydrophobicContact CB-CG 4.28Å
68M92Very high94.1Very high7 Ų752.4 Ų52.43%0.03427%0.265CS..SBendtrans-112.5-80.9-178-174.172.872.800111.9I27 C64 Q66 K72 A73 L76 I114 F117 R118I27-M68 WeakPolarHBondContact O-CG 3.23Å; C64-M68 PolarHBondContact O-N 2.65Å; Q66-M68 VanDerWaalsContact C-N 3.3Å; Q66-M68 PolarHBondContact O-N 3.44Å; M68-K72 WeakPolarHBondContact O-CB 3.47Å; M68-K72 WeakPolarHBondContact O-CG 3.32Å; M68-K72 HydrophobicContact SD-CB 3.95Å; M68-A73 HydrophobicContact CG-CB 3.96Å; M68-A73 HydrophobicContact SD-CB 4.19Å; M68-L76 HydrophobicContact CE-CD2 4.16Å; M68-I114 HydrophobicContact CE-CG2 4.16Å; M68-F117 HydrophobicContact CE-CD1 4.29Å; M68-F117 HydrophobicContact SD-CD1 4.02Å; M68-F117 HydrophobicContact SD-CE1 4.01Å; M68-R118 HydrophobicContact CE-CG 3.78Å
69G93.4Very high93.8Very high14 Ų1451.7 Ų51.714%0.14427%0.265CS..Hα-helixtrans65.1169.2-170.100000114.2G28 M65 G71 K72 A73G28-G69 CarbonylContact O-C 3.56Å; G28-G69 WeakPolarHBondContact O-CA 3.47Å; G28-G69 PolarHBondContact O-N 3.49Å; M65-G69 PolarHBondContact O-N 3.3Å; M65-G69 VanDerWaalsContact O-N 3.14Å; G69-G71 VanDerWaalsContact C-N 3.26Å; G69-G71 PolarHBondContact O-N 2.77Å; G69-K72 PolarHBondContact O-N 3.34Å; G69-A73 VanDerWaalsContact O-CB 3.25Å; G69-A73 WeakPolarHBondContact O-CB 3.2Å; G69-A73 PolarHBondContact O-N 2.87Å
70N93.1Very high93.7Very high44 Ų4452.8 Ų52.824%0.23527%0.265CS..Hα-helixtrans-62.3-32.6-176.9-72.93.7000113.1V29 F30 N74V29-N70 VanDerWaalsContact CA-OD1 3.23Å; V29-N70 WeakPolarHBondContact CA-OD1 3.49Å; V29-N70 WeakPolarHBondContact CB-OD1 3.48Å; F30-N70 PolarHBondContact N-OD1 2.68Å; F30-N70 PolarHBondContact O-ND2 3.13Å; F30-N70 PolarHBondContact O-OD1 3.4Å; N70-N74 WeakPolarHBondContact O-CB 3.44Å; N70-N74 PolarHBondContact O-N 2.93Å; N70-N74 PolarHBondContact O-ND2 3.49Å
71G92.4Very high93.5Very high50 Ų5048.3 Ų48.352%0.51525%0.245SC..Hα-helixtrans-62.3-56.2179.700000112.2G69 N74 R75G69-G71 VanDerWaalsContact C-N 3.26Å; G69-G71 PolarHBondContact O-N 2.77Å; G71-N74 PolarHBondContact O-N 2.97Å; G71-R75 PolarHBondContact O-N 2.8Å
72K92.5Very high93.3Very high29 Ų2950.6 Ų50.613%0.12626%0.261CS..Hα-helixtrans-67-41.2177.5-62.7-172.6176.2-173.60111.2E67 M68 G69 N74 R75 L76 F117 E120E67-K72 VanDerWaalsContact O-CD 3.27Å; E67-K72 WeakPolarHBondContact O-CD 3.04Å; E67-K72 PolarHBondContact O-NZ 3.19Å; M68-K72 WeakPolarHBondContact O-CB 3.47Å; M68-K72 WeakPolarHBondContact O-CG 3.32Å; M68-K72 HydrophobicContact SD-CB 3.95Å; G69-K72 PolarHBondContact O-N 3.34Å; K72-N74 VanDerWaalsContact C-N 3.27Å; K72-N74 PolarHBondContact O-N 3.31Å; K72-R75 WeakPolarHBondContact O-CB 3.22Å; K72-R75 PolarHBondContact O-N 2.84Å; K72-L76 PolarHBondContact O-N 3.47Å; K72-F117 HydrophobicContact CB-CE1 3.59Å; K72-F117 HydrophobicContact CB-CZ 4.02Å; K72-F117 HydrophobicContact CG-CE1 4.48Å; K72-F117 VanDerWaalsContact O-CE1 3.29Å; K72-F117 WeakPolarHBondContact O-CE1 3.34Å; K72-E120 PolarHBondContact NZ-O 3.5Å
73A93Very high93Very high0 Ų057.8 Ų57.80%029%0.294CS..Hα-helixtrans-58.7-37.9177.600000112.6V29 M68 G69 L76 Y77V29-A73 HydrophobicContact CG1-CB 3.24Å; M68-A73 HydrophobicContact CG-CB 3.96Å; M68-A73 HydrophobicContact SD-CB 4.19Å; G69-A73 VanDerWaalsContact O-CB 3.25Å; G69-A73 WeakPolarHBondContact O-CB 3.2Å; G69-A73 PolarHBondContact O-N 2.87Å; A73-L76 PolarHBondContact O-N 2.96Å; A73-Y77 HydrophobicContact CB-CD2 4.2Å; A73-Y77 WeakPolarHBondContact O-CB 3.35Å; A73-Y77 VanDerWaalsContact O-CD2 3.31Å; A73-Y77 WeakPolarHBondContact O-CD2 3.43Å; A73-Y77 PolarHBondContact O-N 2.74Å
74N92.6Very high92.9Very high57 Ų5759.6 Ų59.631%0.30531%0.311SS..Hα-helixtrans-66.8-40.1175.2-71.6-15.8000111.8N70 G71 K72 L76 E78 K101N70-N74 WeakPolarHBondContact O-CB 3.44Å; N70-N74 PolarHBondContact O-N 2.93Å; N70-N74 PolarHBondContact O-ND2 3.49Å; G71-N74 PolarHBondContact O-N 2.97Å; K72-N74 VanDerWaalsContact C-N 3.27Å; K72-N74 PolarHBondContact O-N 3.31Å; N74-L76 PolarHBondContact O-N 2.82Å; N74-E78 CarbonylContact O-C 3.49Å; N74-E78 VanDerWaalsContact O-CA 3.3Å; N74-E78 WeakPolarHBondContact O-CA 3.39Å; N74-E78 WeakPolarHBondContact O-CB 3.31Å; N74-E78 PolarHBondContact O-N 3.11Å; N74-K101 PolarHBondContact OD1-NZ 2.87Å; N74-K101 VanDerWaalsContact OD1-NZ 3.13Å
75R91.9Very high92.8Very high180 Ų18061.8 Ų61.868%0.67932%0.318SS*.Hα-helixtrans-60.8-35.4174.5-65.4177.5-171.6169.63.9112.5G71 K72 A79 F117G71-R75 PolarHBondContact O-N 2.8Å; K72-R75 WeakPolarHBondContact O-CB 3.22Å; K72-R75 PolarHBondContact O-N 2.84Å; R75-A79 WeakPolarHBondContact O-CB 3.41Å; R75-F117 HydrophobicContact CB-CZ 4.13Å
76L92.1Very high92.7Very high0 Ų071.7 Ų71.70%036%0.355CS..Hα-helixtrans-80.2-56.3179.7176.361.9000112.7M68 K72 A73 N74 M108 D109 L112 I114 F117M68-L76 HydrophobicContact CE-CD2 4.16Å; K72-L76 PolarHBondContact O-N 3.47Å; A73-L76 PolarHBondContact O-N 2.96Å; N74-L76 PolarHBondContact O-N 2.82Å; L76-M108 HydrophobicContact CD1-CG 4.09Å; L76-M108 HydrophobicContact CG-CE 4.43Å; L76-M108 HydrophobicContact CG-CG 4.39Å; L76-M108 VanDerWaalsContact O-CA 3.3Å; L76-M108 WeakPolarHBondContact O-CA 3.4Å; L76-M108 WeakPolarHBondContact O-CG 3.28Å; L76-D109 PolarHBondContact O-N 3.08Å; L76-L112 HydrophobicContact CD1-CB 3.79Å; L76-L112 HydrophobicContact CD1-CD1 3.75Å; L76-L112 HydrophobicContact CD1-CG 4.41Å; L76-I114 HydrophobicContact CD2-CG1 4.18Å; L76-I114 HydrophobicContact CD2-CG2 4.45Å; L76-F117 HydrophobicContact CB-CD1 4.19Å; L76-F117 HydrophobicContact CB-CE1 3.74Å; L76-F117 HydrophobicContact CB-CZ 4.2Å; L76-F117 HydrophobicContact CD2-CD1 4.1Å; L76-F117 HydrophobicContact CD2-CE1 4.43Å
77Y93.8Very high92.5Very high14 Ų1471.7 Ų71.76%0.05535%0.35CS..Hα-helixtrans-86.8-12.3-170.4-70.1-86.3000113.7I27 A73 K101 Y102 Y107 M108I27-Y77 HydrophobicContact CG2-CE2 3.81Å; A73-Y77 HydrophobicContact CB-CD2 4.2Å; A73-Y77 WeakPolarHBondContact O-CB 3.35Å; A73-Y77 VanDerWaalsContact O-CD2 3.31Å; A73-Y77 WeakPolarHBondContact O-CD2 3.43Å; A73-Y77 PolarHBondContact O-N 2.74Å; Y77-K101 VanDerWaalsContact CB-CE 3.44Å; Y77-Y102 AromaticContact CD1-CD1 3.57Å; Y77-Y102 HydrophobicContact CD1-CD1 3.57Å; Y77-Y102 AromaticContact CD1-CE1 3.96Å; Y77-Y102 HydrophobicContact CD1-CE1 3.96Å; Y77-Y102 HydrophobicContact CD2-CD1 4.39Å; Y77-Y102 HydrophobicContact CD2-CE1 4.03Å; Y77-Y102 AromaticContact CE1-CD1 3.64Å; Y77-Y102 HydrophobicContact CE1-CD1 3.64Å; Y77-Y102 HydrophobicContact CE1-CE1 4.24Å; Y77-Y102 HydrophobicContact CE2-CD1 4.47Å; Y77-Y102 HydrophobicContact CE2-CE1 4.34Å; Y77-Y102 AromaticContact CG-CD1 3.99Å; Y77-Y102 HydrophobicContact CG-CD1 3.99Å; Y77-Y102 AromaticContact CG-CE1 3.86Å; Y77-Y102 HydrophobicContact CG-CE1 3.86Å; Y77-Y107 CarbonylContact O-C 3.57Å; Y77-Y107 WeakPolarHBondContact O-CB 3.42Å; Y77-M108 HydrophobicContact CD1-CE 3.14Å; Y77-M108 HydrophobicContact CE1-CE 2.95Å; Y77-M108 HydrophobicContact CE2-CE 4.49Å; Y77-M108 HydrophobicContact CG-CE 4.02Å
78E94.4Very high92.5Very high23 Ų2370.5 Ų70.511%0.10735%0.347CS..THydrogen-bonded Turntrans-123.921.8177.9-49.3-175.4167.600111.8N74 Y80 L81 R87 K101 Y107N74-E78 CarbonylContact O-C 3.49Å; N74-E78 VanDerWaalsContact O-CA 3.3Å; N74-E78 WeakPolarHBondContact O-CA 3.39Å; N74-E78 WeakPolarHBondContact O-CB 3.31Å; N74-E78 PolarHBondContact O-N 3.11Å; E78-Y80 PolarHBondContact O-N 2.77Å; E78-L81 HydrophobicContact CB-CB 3.84Å; E78-L81 HydrophobicContact CB-CD2 4.01Å; E78-L81 HydrophobicContact CG-CD2 4.16Å; E78-L81 WeakPolarHBondContact O-CB 3.42Å; E78-L81 PolarHBondContact O-N 2.9Å; E78-L81 VanDerWaalsContact O-N 3.08Å; E78-R87 IonicContact OE1-CZ 2.65Å; E78-R87 IonicContact OE1-NH1 2.68Å; E78-R87 PolarHBondContact OE1-NH1 3.49Å; E78-R87 IonicContact OE1-NH2 3.49Å; E78-R87 PolarHBondContact OE1-NH2 2.94Å; E78-R87 IonicContact OE2-CZ 3.52Å; E78-R87 IonicContact OE2-NH1 3Å; E78-R87 PolarHBondContact OE2-NH1 3.02Å; E78-R87 IonicContact OE2-NH2 3.5Å; E78-R87 PolarHBondContact OE2-NH2 2.73Å; E78-K101 VanDerWaalsContact CD-NZ 3.34Å; E78-K101 HydrophobicContact CG-CD 4.07Å; E78-K101 VanDerWaalsContact CG-CE 3.46Å; E78-K101 WeakPolarHBondContact OE1-CE 3.41Å; E78-K101 IonicContact OE1-NZ 3.49Å; E78-K101 PolarHBondContact OE1-NZ 3.29Å; E78-Y107 CarbonylContact C-O 3.39Å
79A92.9Very high92.4Very high46 Ų4675.5 Ų75.538%0.3837%0.37SS..THydrogen-bonded Turntrans-52.6-42.2-179.500000112.8R75 Y107 D109R75-A79 WeakPolarHBondContact O-CB 3.41Å; A79-Y107 PolarHBondContact N-O 3.11Å; A79-D109 HydrophobicContact CB-CB 3.95Å
80Y93.2Very high92.3Very high145 Ų14580.4 Ų80.457%0.56939%0.392SS*.THydrogen-bonded Turntrans-107.722.7-179.8-59.3-63.9000112.9E78 Y107 D109E78-Y80 PolarHBondContact O-N 2.77Å; Y80-Y107 PolarHBondContact N-O 3.41Å; Y80-D109 HydrophobicContact CE2-CB 3.78Å; Y80-D109 WeakPolarHBondContact CE2-OD1 3.32Å; Y80-D109 PolarHBondContact OH-OD1 3.39Å
81L92.8Very high92.1Very high28 Ų2882.4 Ų82.415%0.14740%0.402CS..  trans-75.5125.6175.5-168.269.2000108.9E78 E83 F85 F97 Y107E78-L81 HydrophobicContact CB-CB 3.84Å; E78-L81 HydrophobicContact CB-CD2 4.01Å; E78-L81 HydrophobicContact CG-CD2 4.16Å; E78-L81 WeakPolarHBondContact O-CB 3.42Å; E78-L81 PolarHBondContact O-N 2.9Å; E78-L81 VanDerWaalsContact O-N 3.08Å; L81-E83 PolarHBondContact O-N 3.17Å; L81-F85 HydrophobicContact CD1-CB 4.29Å; L81-F85 HydrophobicContact CD1-CD1 3.9Å; L81-F85 HydrophobicContact CD1-CD2 4.16Å; L81-F85 HydrophobicContact CD1-CE1 4.24Å; L81-F85 HydrophobicContact CD1-CG 3.85Å; L81-F85 HydrophobicContact CD2-CD1 3.76Å; L81-F85 HydrophobicContact CD2-CE1 4.32Å; L81-F85 HydrophobicContact CD2-CG 4.32Å; L81-F85 HydrophobicContact CG-CB 4.06Å; L81-F85 HydrophobicContact CG-CD1 4.01Å; L81-F85 HydrophobicContact CG-CG 4.06Å; L81-F97 HydrophobicContact CD1-CE2 4.02Å; L81-F97 HydrophobicContact CD2-CE2 4.32Å; L81-F97 HydrophobicContact CD2-CZ 4.29Å; L81-Y107 HydrophobicContact CB-CG 4.41Å; L81-Y107 HydrophobicContact CD1-CD1 3.7Å; L81-Y107 HydrophobicContact CD1-CD2 3.8Å; L81-Y107 HydrophobicContact CD1-CE1 3.77Å; L81-Y107 HydrophobicContact CD1-CE2 3.87Å; L81-Y107 HydrophobicContact CD1-CG 3.72Å
82P92.6Very high92.1Very high70 Ų7084.7 Ų84.746%0.45541%0.408SS..  trans-57.4138.4-179.5-2533.7000111.8T84 F85P82-T84 PolarHBondContact O-N 3.39Å; P82-T84 VanDerWaalsContact O-N 3.17Å; P82-F85 HydrophobicContact CB-CB 4.42Å; P82-F85 WeakPolarHBondContact O-CB 3.38Å; P82-F85 PolarHBondContact O-N 3.15Å
83E89.6Confident92.2Very high207 Ų20785.2 Ų85.297%0.96742%0.418SS*.THydrogen-bonded Turntrans-61.3-27.3178-66.9-176.2170.800112.6L81 F85L81-E83 PolarHBondContact O-N 3.17Å; E83-F85 PolarHBondContact O-N 3.32Å
84T92.5Very high92.3Very high128 Ų12886 Ų8679%0.78542%0.423SS*.THydrogen-bonded Turntrans-77.2-6.5175.856.90000113.3P82 R86P82-T84 PolarHBondContact O-N 3.39Å; P82-T84 VanDerWaalsContact O-N 3.17Å; T84-R86 PolarHBondContact O-N 2.74Å
85F92.6Very high92.4Very high68 Ų6886.3 Ų86.330%0.29842%0.422SS..PPolyproline II helixtrans-64.3123.4-176.4-177.4-98.1000111.7L81 P82 E83 R87 F97L81-F85 HydrophobicContact CD1-CB 4.29Å; L81-F85 HydrophobicContact CD1-CD1 3.9Å; L81-F85 HydrophobicContact CD1-CD2 4.16Å; L81-F85 HydrophobicContact CD1-CE1 4.24Å; L81-F85 HydrophobicContact CD1-CG 3.85Å; L81-F85 HydrophobicContact CD2-CD1 3.76Å; L81-F85 HydrophobicContact CD2-CE1 4.32Å; L81-F85 HydrophobicContact CD2-CG 4.32Å; L81-F85 HydrophobicContact CG-CB 4.06Å; L81-F85 HydrophobicContact CG-CD1 4.01Å; L81-F85 HydrophobicContact CG-CG 4.06Å; P82-F85 HydrophobicContact CB-CB 4.42Å; P82-F85 WeakPolarHBondContact O-CB 3.38Å; P82-F85 PolarHBondContact O-N 3.15Å; E83-F85 PolarHBondContact O-N 3.32Å; F85-R87 HydrophobicContact CD1-CG 4.5Å; F85-R87 HydrophobicContact CE1-CG 4.35Å; F85-F97 HydrophobicContact CD1-CE2 4.4Å; F85-F97 AromaticContact CE1-CD2 3.74Å; F85-F97 HydrophobicContact CE1-CD2 3.74Å; F85-F97 AromaticContact CE1-CE2 3.47Å; F85-F97 HydrophobicContact CE1-CE2 3.47Å; F85-F97 VanDerWaalsContact CE1-CE2 3.47Å; F85-F97 HydrophobicContact CE1-CG 4.49Å; F85-F97 HydrophobicContact CE1-CZ 4.04Å; F85-F97 HydrophobicContact CE2-CD2 4.45Å; F85-F97 AromaticContact CZ-CD2 3.44Å; F85-F97 HydrophobicContact CZ-CD2 3.44Å; F85-F97 VanDerWaalsContact CZ-CD2 3.44Å; F85-F97 AromaticContact CZ-CE2 3.62Å; F85-F97 HydrophobicContact CZ-CE2 3.62Å; F85-F97 HydrophobicContact CZ-CG 4.25Å
86R92.5Very high92.7Very high225 Ų22579.3 Ų79.385%0.84941%0.406SS*.PPolyproline II helixtrans-90118.2173.1-68.2-76.4-174.4166.6-0.1109T84T84-R86 PolarHBondContact O-N 2.74Å
87R90.2Very high92.9Very high116 Ų11680.4 Ų80.444%0.43841%0.411SS..PPolyproline II helixtrans-61.4125.3175.3-67.9-173.6-174.2-83.2-0.6110.1E78 F85 Q89E78-R87 IonicContact OE1-CZ 2.65Å; E78-R87 IonicContact OE1-NH1 2.68Å; E78-R87 PolarHBondContact OE1-NH1 3.49Å; E78-R87 IonicContact OE1-NH2 3.49Å; E78-R87 PolarHBondContact OE1-NH2 2.94Å; E78-R87 IonicContact OE2-CZ 3.52Å; E78-R87 IonicContact OE2-NH1 3Å; E78-R87 PolarHBondContact OE2-NH1 3.02Å; E78-R87 IonicContact OE2-NH2 3.5Å; E78-R87 PolarHBondContact OE2-NH2 2.73Å; F85-R87 HydrophobicContact CD1-CG 4.5Å; F85-R87 HydrophobicContact CE1-CG 4.35Å; R87-Q89 PolarHBondContact O-NE2 2.82Å
88P91.8Very high93Very high30 Ų3080.1 Ų80.120%0.19541%0.41CS..PPolyproline II helixtrans-63.4151.4179.926.4-34.3000111.1A93 V94 F97P88-A93 HydrophobicContact CB-CB 3.51Å; P88-A93 HydrophobicContact CG-CB 4.4Å; P88-A93 WeakPolarHBondContact CG-O 3.43Å; P88-V94 HydrophobicContact CB-CG2 4.12Å; P88-V94 HydrophobicContact CG-CG2 4.11Å; P88-V94 WeakPolarHBondContact O-CG2 3.37Å; P88-F97 HydrophobicContact CG-CB 3.74Å; P88-F97 HydrophobicContact CG-CD1 4.5Å; P88-F97 HydrophobicContact CG-CG 4.21Å
89Q89.6Confident93.1Very high111 Ų11182 Ų8252%0.51942%0.417SS..  trans-115.7-25.1-179.8-58.6-56.8-47.100113.1R34 R87R34-Q89 PolarHBondContact NH1-O 3.28Å; R87-Q89 PolarHBondContact O-NE2 2.82Å
90I91.8Very high93.3Very high118 Ų11881 Ų8161%0.60541%0.405SS*.SBendtrans-85.1138.617963.3176000110.5A93 V94I90-A93 HydrophobicContact CD1-CB 4.08Å; I90-A93 HydrophobicContact CG1-CB 3.55Å; I90-A93 PolarHBondContact O-N 3.37Å; I90-A93 VanDerWaalsContact O-N 3.07Å; I90-V94 WeakPolarHBondContact O-CG2 3.3Å; I90-V94 PolarHBondContact O-N 2.95Å
91D88.8Confident93.4Very high85 Ų8574.5 Ų74.546%0.45538%0.379SS..Hα-helixtrans-55.5-43-170-68.2-7.7000114R34 A93 V94 E95R34-D91 IonicContact NH1-OD1 2.76Å; R34-D91 PolarHBondContact NH1-OD1 3.35Å; R34-D91 VanDerWaalsContact NH1-OD1 3.15Å; D91-A93 PolarHBondContact O-N 3.22Å; D91-V94 PolarHBondContact O-N 2.93Å; D91-E95 PolarHBondContact O-N 2.86Å
92P93.4Very high93.6Very high99 Ų9974 Ų7464%0.64338%0.376SS*.Hα-helixtrans-62.6-39177.6-23.934.5000113.6E95 G96P92-E95 PolarHBondContact O-N 2.86Å; P92-G96 PolarHBondContact O-N 3.23Å; P92-G96 VanDerWaalsContact O-N 3.07Å
93A93.7Very high93.7Very high39 Ų3974.4 Ų74.432%0.32237%0.371SS..Hα-helixtrans-74.5-33.9178.200000111.5P88 I90 D91 G96 F97P88-A93 HydrophobicContact CB-CB 3.51Å; P88-A93 HydrophobicContact CG-CB 4.4Å; P88-A93 WeakPolarHBondContact CG-O 3.43Å; I90-A93 HydrophobicContact CD1-CB 4.08Å; I90-A93 HydrophobicContact CG1-CB 3.55Å; I90-A93 PolarHBondContact O-N 3.37Å; I90-A93 VanDerWaalsContact O-N 3.07Å; D91-A93 PolarHBondContact O-N 3.22Å; A93-G96 PolarHBondContact O-N 3.38Å; A93-F97 WeakPolarHBondContact O-CB 3.46Å; A93-F97 PolarHBondContact O-N 2.94Å
94V94.7Very high94Very high18 Ų1870.5 Ų70.511%0.10935%0.351CS..Hα-helixtrans-64.3-42172.4175.70000110.5I38 P88 I90 D91 F97 I98I38-V94 HydrophobicContact CD1-CB 4.23Å; I38-V94 HydrophobicContact CD1-CG1 3.7Å; P88-V94 HydrophobicContact CB-CG2 4.12Å; P88-V94 HydrophobicContact CG-CG2 4.11Å; P88-V94 WeakPolarHBondContact O-CG2 3.37Å; I90-V94 WeakPolarHBondContact O-CG2 3.3Å; I90-V94 PolarHBondContact O-N 2.95Å; D91-V94 PolarHBondContact O-N 2.93Å; V94-F97 PolarHBondContact O-N 2.83Å; V94-I98 HydrophobicContact CG1-CD1 3.73Å; V94-I98 HydrophobicContact CG1-CG1 4.35Å; V94-I98 WeakPolarHBondContact O-CB 3.48Å; V94-I98 VanDerWaalsContact O-CG1 3.31Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 PolarHBondContact O-N 2.9Å
95E95.9Very high94.1Very high63 Ų6368.5 Ų68.529%0.29433%0.332SS..Hα-helixtrans-60.3-50.4174.5174166.7-168.900111.8I38 D91 P92 F97 I98 R99I38-E95 HydrophobicContact CD1-CB 4.2Å; I38-E95 HydrophobicContact CG1-CB 4.38Å; I38-E95 HydrophobicContact CG2-CB 3.98Å; I38-E95 HydrophobicContact CG2-CG 3.93Å; D91-E95 PolarHBondContact O-N 2.86Å; P92-E95 PolarHBondContact O-N 2.86Å; E95-F97 VanDerWaalsContact C-N 3.27Å; E95-F97 PolarHBondContact O-N 2.84Å; E95-I98 PolarHBondContact O-N 3.4Å; E95-I98 VanDerWaalsContact O-N 3.16Å; E95-R99 HydrophobicContact CG-CG 4.46Å; E95-R99 WeakPolarHBondContact O-CG 3.29Å; E95-R99 PolarHBondContact O-N 3.19Å; E95-R99 IonicContact OE1-CZ 3.39Å; E95-R99 IonicContact OE1-NE 3.15Å; E95-R99 PolarHBondContact OE1-NE 3.38Å; E95-R99 IonicContact OE1-NH2 3.01Å; E95-R99 PolarHBondContact OE1-NH2 3.28Å; E95-R99 VanDerWaalsContact OE1-NH2 3.1Å
96G96.9Very high94.3Very high33 Ų3371 Ų7134%0.3434%0.342SS..Hα-helixtrans-55.7-43.4176.600000112.2P92 A93 R99 D100P92-G96 PolarHBondContact O-N 3.23Å; P92-G96 VanDerWaalsContact O-N 3.07Å; A93-G96 PolarHBondContact O-N 3.38Å; G96-R99 PolarHBondContact O-N 2.95Å; G96-D100 WeakPolarHBondContact O-CB 3.31Å; G96-D100 PolarHBondContact O-N 2.62Å
97F96.6Very high94.3Very high23 Ų2361.5 Ų61.510%0.10131%0.307CS..Hα-helixtrans-64.9-43.5176.7176.1-110.2000113L81 F85 P88 A93 V94 E95 D100 K101 Y107L81-F97 HydrophobicContact CD1-CE2 4.02Å; L81-F97 HydrophobicContact CD2-CE2 4.32Å; L81-F97 HydrophobicContact CD2-CZ 4.29Å; F85-F97 HydrophobicContact CD1-CE2 4.4Å; F85-F97 AromaticContact CE1-CD2 3.74Å; F85-F97 HydrophobicContact CE1-CD2 3.74Å; F85-F97 AromaticContact CE1-CE2 3.47Å; F85-F97 HydrophobicContact CE1-CE2 3.47Å; F85-F97 VanDerWaalsContact CE1-CE2 3.47Å; F85-F97 HydrophobicContact CE1-CG 4.49Å; F85-F97 HydrophobicContact CE1-CZ 4.04Å; F85-F97 HydrophobicContact CE2-CD2 4.45Å; F85-F97 AromaticContact CZ-CD2 3.44Å; F85-F97 HydrophobicContact CZ-CD2 3.44Å; F85-F97 VanDerWaalsContact CZ-CD2 3.44Å; F85-F97 AromaticContact CZ-CE2 3.62Å; F85-F97 HydrophobicContact CZ-CE2 3.62Å; F85-F97 HydrophobicContact CZ-CG 4.25Å; P88-F97 HydrophobicContact CG-CB 3.74Å; P88-F97 HydrophobicContact CG-CD1 4.5Å; P88-F97 HydrophobicContact CG-CG 4.21Å; A93-F97 WeakPolarHBondContact O-CB 3.46Å; A93-F97 PolarHBondContact O-N 2.94Å; V94-F97 PolarHBondContact O-N 2.83Å; E95-F97 VanDerWaalsContact C-N 3.27Å; E95-F97 PolarHBondContact O-N 2.84Å; F97-D100 PolarHBondContact O-N 2.92Å; F97-K101 HydrophobicContact CE1-CD 4.2Å; F97-K101 HydrophobicContact CZ-CD 4.14Å; F97-K101 VanDerWaalsContact O-CB 3.22Å; F97-K101 WeakPolarHBondContact O-CB 3.41Å; F97-K101 PolarHBondContact O-N 3.02Å; F97-Y107 HydrophobicContact CD2-CE2 4.25Å; F97-Y107 HydrophobicContact CE2-CD2 4.49Å; F97-Y107 HydrophobicContact CE2-CE2 4.04Å
98I96.9Very high94.4Very high8 Ų856.6 Ų56.64%0.04129%0.289CS..Hα-helixtrans-64.2-41.1178.9-74.3173.4000110.9C35 I38 L42 V94 E95 K101 Y102C35-I98 HydrophobicContact CB-CD1 4.05Å; I38-I98 HydrophobicContact CB-CD1 4.06Å; I38-I98 HydrophobicContact CD1-CD1 3.93Å; I38-I98 HydrophobicContact CG2-CB 3.97Å; I38-I98 HydrophobicContact CG2-CD1 3.89Å; I38-I98 HydrophobicContact CG2-CG2 3.76Å; L42-I98 HydrophobicContact CD1-CG2 3.91Å; V94-I98 HydrophobicContact CG1-CD1 3.73Å; V94-I98 HydrophobicContact CG1-CG1 4.35Å; V94-I98 WeakPolarHBondContact O-CB 3.48Å; V94-I98 VanDerWaalsContact O-CG1 3.31Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 PolarHBondContact O-N 2.9Å; E95-I98 PolarHBondContact O-N 3.4Å; E95-I98 VanDerWaalsContact O-N 3.16Å; I98-K101 PolarHBondContact O-N 3.46Å; I98-Y102 HydrophobicContact CG2-CD2 3.92Å; I98-Y102 HydrophobicContact CG2-CE2 4.34Å; I98-Y102 WeakPolarHBondContact O-CD2 3.34Å; I98-Y102 PolarHBondContact O-N 2.76Å
99R97.3Very high94.1Very high63 Ų6356.6 Ų56.624%0.23829%0.287CS..Iπ-helixtrans-63.4-48.9173.8-72.3-178.2177.5-800.4111.6L42 E95 G96 K101 E103 K104L42-R99 HydrophobicContact CD2-CB 4.49Å; L42-R99 HydrophobicContact CD2-CG 3.56Å; E95-R99 HydrophobicContact CG-CG 4.46Å; E95-R99 WeakPolarHBondContact O-CG 3.29Å; E95-R99 PolarHBondContact O-N 3.19Å; E95-R99 IonicContact OE1-CZ 3.39Å; E95-R99 IonicContact OE1-NE 3.15Å; E95-R99 PolarHBondContact OE1-NE 3.38Å; E95-R99 IonicContact OE1-NH2 3.01Å; E95-R99 PolarHBondContact OE1-NH2 3.28Å; E95-R99 VanDerWaalsContact OE1-NH2 3.1Å; G96-R99 PolarHBondContact O-N 2.95Å; R99-K101 PolarHBondContact O-N 3.29Å; R99-E103 WeakPolarHBondContact CG-OE2 3.45Å; R99-E103 IonicContact NH1-OE1 2.74Å; R99-E103 PolarHBondContact NH1-OE1 3.17Å; R99-E103 IonicContact NH1-OE2 3.1Å; R99-E103 PolarHBondContact NH1-OE2 3.49Å; R99-E103 WeakPolarHBondContact O-CA 3.46Å; R99-E103 VanDerWaalsContact O-CB 3.28Å; R99-E103 WeakPolarHBondContact O-CB 3.5Å; R99-E103 PolarHBondContact O-N 2.69Å; R99-K104 PolarHBondContact O-N 3.02Å
100D96.9Very high93.8Very high24 Ų2460.9 Ų60.913%0.12830%0.299CS..Iπ-helixtrans-58.2-38.8176.3-83.310.8000111.8G96 F97 K104 K105 K106 Y107G96-D100 WeakPolarHBondContact O-CB 3.31Å; G96-D100 PolarHBondContact O-N 2.62Å; F97-D100 PolarHBondContact O-N 2.92Å; D100-K104 WeakPolarHBondContact OD1-CD 3.43Å; D100-K104 WeakPolarHBondContact OD1-CE 3.43Å; D100-K104 IonicContact OD1-NZ 3.15Å; D100-K104 PolarHBondContact OD1-NZ 3Å; D100-K105 PolarHBondContact O-N 3.16Å; D100-K106 HydrophobicContact CB-CB 4.31Å; D100-K106 HydrophobicContact CB-CD 4.1Å; D100-K106 VanDerWaalsContact O-CB 3.31Å; D100-K106 WeakPolarHBondContact O-CB 3.42Å; D100-K106 PolarHBondContact O-N 3.16Å; D100-K106 WeakPolarHBondContact OD2-CD 3.4Å; D100-K106 IonicContact OD2-NZ 3.52Å; D100-K106 PolarHBondContact OD2-NZ 3.31Å; D100-K106 VanDerWaalsContact OD2-NZ 3.15Å; D100-Y107 HydrophobicContact CB-CE2 4.03Å
101K95.4Very high93.5Very high8 Ų859.9 Ų59.94%0.03530%0.302CS..Iπ-helixtrans-70.9-50.9-179.1-174.5174.3176.8178.40113.1N74 Y77 E78 F97 I98 R99N74-K101 PolarHBondContact OD1-NZ 2.87Å; N74-K101 VanDerWaalsContact OD1-NZ 3.13Å; Y77-K101 VanDerWaalsContact CB-CE 3.44Å; E78-K101 VanDerWaalsContact CD-NZ 3.34Å; E78-K101 HydrophobicContact CG-CD 4.07Å; E78-K101 VanDerWaalsContact CG-CE 3.46Å; E78-K101 WeakPolarHBondContact OE1-CE 3.41Å; E78-K101 IonicContact OE1-NZ 3.49Å; E78-K101 PolarHBondContact OE1-NZ 3.29Å; F97-K101 HydrophobicContact CE1-CD 4.2Å; F97-K101 HydrophobicContact CZ-CD 4.14Å; F97-K101 VanDerWaalsContact O-CB 3.22Å; F97-K101 WeakPolarHBondContact O-CB 3.41Å; F97-K101 PolarHBondContact O-N 3.02Å; I98-K101 PolarHBondContact O-N 3.46Å; R99-K101 PolarHBondContact O-N 3.29Å
102Y96.2Very high93.1Very high19 Ų1959 Ų598%0.07530%0.297CS..Iπ-helixtrans-106.3-33.5-169.2-58.7-67.5000114.8I27 H39 Y77 I98I27-Y102 HydrophobicContact CD1-CD1 3.92Å; I27-Y102 HydrophobicContact CD1-CE1 4.35Å; I27-Y102 HydrophobicContact CD1-CG 4.12Å; I27-Y102 HydrophobicContact CG2-CD1 4.18Å; I27-Y102 HydrophobicContact CG2-CE1 3.89Å; H39-Y102 AromaticContact CE1-CD2 3.58Å; H39-Y102 AromaticContact CE1-CE2 3.38Å; H39-Y102 WeakPolarHBondContact CE1-CE2 3.48Å; H39-Y102 AromaticContact NE2-CD2 3.86Å; H39-Y102 AromaticContact NE2-CE2 3.42Å; H39-Y102 WeakPolarHBondContact NE2-CE2 3.31Å; Y77-Y102 AromaticContact CD1-CD1 3.57Å; Y77-Y102 HydrophobicContact CD1-CD1 3.57Å; Y77-Y102 AromaticContact CD1-CE1 3.96Å; Y77-Y102 HydrophobicContact CD1-CE1 3.96Å; Y77-Y102 HydrophobicContact CD2-CD1 4.39Å; Y77-Y102 HydrophobicContact CD2-CE1 4.03Å; Y77-Y102 AromaticContact CE1-CD1 3.64Å; Y77-Y102 HydrophobicContact CE1-CD1 3.64Å; Y77-Y102 HydrophobicContact CE1-CE1 4.24Å; Y77-Y102 HydrophobicContact CE2-CD1 4.47Å; Y77-Y102 HydrophobicContact CE2-CE1 4.34Å; Y77-Y102 AromaticContact CG-CD1 3.99Å; Y77-Y102 HydrophobicContact CG-CD1 3.99Å; Y77-Y102 AromaticContact CG-CE1 3.86Å; Y77-Y102 HydrophobicContact CG-CE1 3.86Å; I98-Y102 HydrophobicContact CG2-CD2 3.92Å; I98-Y102 HydrophobicContact CG2-CE2 4.34Å; I98-Y102 WeakPolarHBondContact O-CD2 3.34Å; I98-Y102 PolarHBondContact O-N 2.76Å
103E95.4Very high92.7Very high78 Ų7858.7 Ų58.736%0.36429%0.29SS..Iπ-helixtrans-84.7-54.2-179.7173.9175.6-131.700110.3I46 R99I46-E103 HydrophobicContact CD1-CB 3.81Å; I46-E103 HydrophobicContact CD1-CG 3.75Å; R99-E103 WeakPolarHBondContact CG-OE2 3.45Å; R99-E103 IonicContact NH1-OE1 2.74Å; R99-E103 PolarHBondContact NH1-OE1 3.17Å; R99-E103 IonicContact NH1-OE2 3.1Å; R99-E103 PolarHBondContact NH1-OE2 3.49Å; R99-E103 WeakPolarHBondContact O-CA 3.46Å; R99-E103 VanDerWaalsContact O-CB 3.28Å; R99-E103 WeakPolarHBondContact O-CB 3.5Å; R99-E103 PolarHBondContact O-N 2.69Å
104K95.6Very high92.4Very high124 Ų12458.7 Ų58.754%0.53928%0.284SS..SBendtrans-83.5-15.4-179.9-54.7-176.5-165.8156.10113.7R99 D100 K106R99-K104 PolarHBondContact O-N 3.02Å; D100-K104 WeakPolarHBondContact OD1-CD 3.43Å; D100-K104 WeakPolarHBondContact OD1-CE 3.43Å; D100-K104 IonicContact OD1-NZ 3.15Å; D100-K104 PolarHBondContact OD1-NZ 3Å; K104-K106 PolarHBondContact O-N 2.9Å
105K94.6Very high91.9Very high86 Ų8662.5 Ų62.537%0.37430%0.304SS..  trans50.740.3-177-59.1176.7175-176.60111.9D100 Y107 M108D100-K105 PolarHBondContact O-N 3.16Å; K105-Y107 VanDerWaalsContact C-N 3.31Å; K105-Y107 PolarHBondContact O-N 3.34Å; K105-M108 HydrophobicContact CB-CB 3.96Å; K105-M108 HydrophobicContact CB-CE 4.22Å; K105-M108 HydrophobicContact CB-SD 4.15Å; K105-M108 HydrophobicContact CD-CE 3.83Å; K105-M108 HydrophobicContact CD-SD 3.76Å; K105-M108 HydrophobicContact CG-CE 3.8Å; K105-M108 HydrophobicContact CG-SD 4.13Å; K105-M108 PolarHBondContact O-N 2.94Å
106K95.3Very high91.4Very high120 Ų12062.3 Ų62.352%0.52231%0.313SS..THydrogen-bonded Turntrans-63.2-35.3-169.8-178.3176.8172.4-170.20113.2D100 K104D100-K106 HydrophobicContact CB-CB 4.31Å; D100-K106 HydrophobicContact CB-CD 4.1Å; D100-K106 VanDerWaalsContact O-CB 3.31Å; D100-K106 WeakPolarHBondContact O-CB 3.42Å; D100-K106 PolarHBondContact O-N 3.16Å; D100-K106 WeakPolarHBondContact OD2-CD 3.4Å; D100-K106 IonicContact OD2-NZ 3.52Å; D100-K106 PolarHBondContact OD2-NZ 3.31Å; D100-K106 VanDerWaalsContact OD2-NZ 3.15Å; K104-K106 PolarHBondContact O-N 2.9Å
107Y93.3Very high90.8Very high26 Ų2661.8 Ų61.810%0.10230%0.302CS..THydrogen-bonded Turntrans-108.28.6-177.2-41.9-71.8000112.5Y77 E78 A79 Y80 L81 F97 D100 K105Y77-Y107 CarbonylContact O-C 3.57Å; Y77-Y107 WeakPolarHBondContact O-CB 3.42Å; E78-Y107 CarbonylContact C-O 3.39Å; A79-Y107 PolarHBondContact N-O 3.11Å; Y80-Y107 PolarHBondContact N-O 3.41Å; L81-Y107 HydrophobicContact CB-CG 4.41Å; L81-Y107 HydrophobicContact CD1-CD1 3.7Å; L81-Y107 HydrophobicContact CD1-CD2 3.8Å; L81-Y107 HydrophobicContact CD1-CE1 3.77Å; L81-Y107 HydrophobicContact CD1-CE2 3.87Å; L81-Y107 HydrophobicContact CD1-CG 3.72Å; F97-Y107 HydrophobicContact CD2-CE2 4.25Å; F97-Y107 HydrophobicContact CE2-CD2 4.49Å; F97-Y107 HydrophobicContact CE2-CE2 4.04Å; D100-Y107 HydrophobicContact CB-CE2 4.03Å; K105-Y107 VanDerWaalsContact C-N 3.31Å; K105-Y107 PolarHBondContact O-N 3.34Å
108M92.4Very high90.3Very high13 Ų1362.5 Ų62.56%0.06430%0.304CS..SBendtrans-83.1141.7-177.9-179.2-171.7-74.700110.8L76 Y77 K105 R110L76-M108 HydrophobicContact CD1-CG 4.09Å; L76-M108 HydrophobicContact CG-CE 4.43Å; L76-M108 HydrophobicContact CG-CG 4.39Å; L76-M108 VanDerWaalsContact O-CA 3.3Å; L76-M108 WeakPolarHBondContact O-CA 3.4Å; L76-M108 WeakPolarHBondContact O-CG 3.28Å; Y77-M108 HydrophobicContact CD1-CE 3.14Å; Y77-M108 HydrophobicContact CE1-CE 2.95Å; Y77-M108 HydrophobicContact CE2-CE 4.49Å; Y77-M108 HydrophobicContact CG-CE 4.02Å; K105-M108 HydrophobicContact CB-CB 3.96Å; K105-M108 HydrophobicContact CB-CE 4.22Å; K105-M108 HydrophobicContact CB-SD 4.15Å; K105-M108 HydrophobicContact CD-CE 3.83Å; K105-M108 HydrophobicContact CD-SD 3.76Å; K105-M108 HydrophobicContact CG-CE 3.8Å; K105-M108 HydrophobicContact CG-SD 4.13Å; K105-M108 PolarHBondContact O-N 2.94Å; M108-R110 PolarHBondContact O-N 3.3Å
109D85.6Confident89.6Confident31 Ų3169.9 Ų69.917%0.16634%0.336CS..  trans-76.2107.9165.3-169.728.6000112.1L76 A79 Y80 S111 L112L76-D109 PolarHBondContact O-N 3.08Å; A79-D109 HydrophobicContact CB-CB 3.95Å; Y80-D109 HydrophobicContact CE2-CB 3.78Å; Y80-D109 WeakPolarHBondContact CE2-OD1 3.32Å; Y80-D109 PolarHBondContact OH-OD1 3.39Å; D109-S111 PolarHBondContact O-N 3.36Å; D109-S111 PolarHBondContact OD1-OG 3.1Å; D109-S111 PolarHBondContact OD2-OG 3.26Å; D109-L112 HydrophobicContact CB-CD1 3.98Å; D109-L112 HydrophobicContact CB-CG 4.09Å; D109-L112 PolarHBondContact O-N 3.21Å
110R83.8Confident88.5Confident200 Ų20072.9 Ų72.976%0.75535%0.352SS*.THydrogen-bonded Turntrans-73.4-14.3-174.5-66.9-174.6-176.4-179.20.7113.2M108 L112M108-R110 PolarHBondContact O-N 3.3Å; R110-L112 PolarHBondContact O-N 2.85Å
111S84.3Confident86.7Confident97 Ų9779.9 Ų79.968%0.67838%0.382SS*.THydrogen-bonded Turntrans-72-16.8171.724.20000113.7D109D109-S111 PolarHBondContact O-N 3.36Å; D109-S111 PolarHBondContact OD1-OG 3.1Å; D109-S111 PolarHBondContact OD2-OG 3.26Å
112L81.9Confident84.8Confident66 Ų6684.7 Ų84.735%0.34641%0.407SS..SBendtrans-84.9121.9-178-61.3178.6000111.4L76 D109 R110 I114 F117L76-L112 HydrophobicContact CD1-CB 3.79Å; L76-L112 HydrophobicContact CD1-CD1 3.75Å; L76-L112 HydrophobicContact CD1-CG 4.41Å; D109-L112 HydrophobicContact CB-CD1 3.98Å; D109-L112 HydrophobicContact CB-CG 4.09Å; D109-L112 PolarHBondContact O-N 3.21Å; R110-L112 PolarHBondContact O-N 2.85Å; L112-I114 PolarHBondContact O-N 3.01Å; L112-F117 HydrophobicContact CD1-CD2 4.48Å
113D84.9Confident82.5Confident94 Ų9489.6 Ų89.650%0.50344%0.435SS..  trans-75.5122.2166.6-177.8-76.9000109.8N115 A116 F117D113-N115 VanDerWaalsContact C-N 3.26Å; D113-N115 PolarHBondContact O-N 3.5Å; D113-N115 WeakPolarHBondContact OD1-CA 3.39Å; D113-N115 VanDerWaalsContact OD1-CB 3.26Å; D113-N115 WeakPolarHBondContact OD1-CB 3.38Å; D113-N115 PolarHBondContact OD1-N 3.34Å; D113-A116 HydrophobicContact CB-CB 3.9Å; D113-A116 PolarHBondContact O-N 3Å; D113-A116 PolarHBondContact OD1-N 3.02Å; D113-F117 WeakPolarHBondContact O-CB 3.38Å; D113-F117 PolarHBondContact O-N 3.11Å
114I85.7Confident80.2Confident39 Ų3994.6 Ų94.620%0.246%0.456CS..Hα-helixtrans-62.1-35.6-175.4-58-179.5000111.3M68 L76 L112 R118M68-I114 HydrophobicContact CE-CG2 4.16Å; L76-I114 HydrophobicContact CD2-CG1 4.18Å; L76-I114 HydrophobicContact CD2-CG2 4.45Å; L112-I114 PolarHBondContact O-N 3.01Å; I114-R118 WeakPolarHBondContact O-CG 3.4Å; I114-R118 PolarHBondContact O-N 3.26Å
115N85.2Confident77.6Confident97 Ų9798.1 Ų98.152%0.51947%0.466SS..Hα-helixtrans-74.5-38.4-179.6-60.4-43.7000110.9D113 F117 K119D113-N115 VanDerWaalsContact C-N 3.26Å; D113-N115 PolarHBondContact O-N 3.5Å; D113-N115 WeakPolarHBondContact OD1-CA 3.39Å; D113-N115 VanDerWaalsContact OD1-CB 3.26Å; D113-N115 WeakPolarHBondContact OD1-CB 3.38Å; D113-N115 PolarHBondContact OD1-N 3.34Å; N115-F117 VanDerWaalsContact C-N 3.35Å; N115-K119 WeakPolarHBondContact O-CG 3.32Å; N115-K119 PolarHBondContact O-N 3.05Å
116A84.8Confident74.9Confident59 Ų59102.1 Ų102.149%0.48848%0.483SS..Hα-helixtrans-62.7-4417200000110.9D113 R118 K119 E120D113-A116 HydrophobicContact CB-CB 3.9Å; D113-A116 PolarHBondContact O-N 3Å; D113-A116 PolarHBondContact OD1-N 3.02Å; A116-R118 VanDerWaalsContact C-N 3.33Å; A116-R118 PolarHBondContact O-N 3.29Å; A116-K119 CarbonylContact O-C 3.53Å; A116-K119 PolarHBondContact O-N 3.32Å; A116-E120 PolarHBondContact O-N 3.19Å
117F84.9Confident72.5Confident22 Ų22106.4 Ų106.410%0.09650%0.496CS..Hα-helixtrans-64.3-34.9-179.8-169.1-107.3000113.3M68 K72 R75 L76 L112 D113 N115M68-F117 HydrophobicContact CE-CD1 4.29Å; M68-F117 HydrophobicContact SD-CD1 4.02Å; M68-F117 HydrophobicContact SD-CE1 4.01Å; K72-F117 HydrophobicContact CB-CE1 3.59Å; K72-F117 HydrophobicContact CB-CZ 4.02Å; K72-F117 HydrophobicContact CG-CE1 4.48Å; K72-F117 VanDerWaalsContact O-CE1 3.29Å; K72-F117 WeakPolarHBondContact O-CE1 3.34Å; R75-F117 HydrophobicContact CB-CZ 4.13Å; L76-F117 HydrophobicContact CB-CD1 4.19Å; L76-F117 HydrophobicContact CB-CE1 3.74Å; L76-F117 HydrophobicContact CB-CZ 4.2Å; L76-F117 HydrophobicContact CD2-CD1 4.1Å; L76-F117 HydrophobicContact CD2-CE1 4.43Å; L112-F117 HydrophobicContact CD1-CD2 4.48Å; D113-F117 WeakPolarHBondContact O-CB 3.38Å; D113-F117 PolarHBondContact O-N 3.11Å; N115-F117 VanDerWaalsContact C-N 3.35Å
118R85.4Confident70.1Confident38 Ų38108.5 Ų108.514%0.14353%0.525CS..Hα-helixtrans-65-39.8170.8-77.5176.3-173.6-177.41.4112.7N26 I27 E67 M68 I114 A116 E120N26-R118 PolarHBondContact O-NH2 3.39Å; I27-R118 PolarHBondContact O-NH2 2.99Å; E67-R118 HydrophobicContact CB-CB 4.01Å; E67-R118 HydrophobicContact CB-CG 4.28Å; M68-R118 HydrophobicContact CE-CG 3.78Å; I114-R118 WeakPolarHBondContact O-CG 3.4Å; I114-R118 PolarHBondContact O-N 3.26Å; A116-R118 VanDerWaalsContact C-N 3.33Å; A116-R118 PolarHBondContact O-N 3.29Å; R118-E120 VanDerWaalsContact C-N 3.32Å
119K81.7Confident67.7Low164 Ų164112.1 Ų112.171%0.71355%0.552SS**Hα-helixtrans-79.1-11.9-178.5-72.5179.8179.5-177.70114.1N115 A116 K121N115-K119 WeakPolarHBondContact O-CG 3.32Å; N115-K119 PolarHBondContact O-N 3.05Å; A116-K119 CarbonylContact O-C 3.53Å; A116-K119 PolarHBondContact O-N 3.32Å; K119-K121 PolarHBondContact O-N 3.49Å
120E75.1Confident65.6Low125 Ų125118 Ų11858%0.58458%0.579SS**  trans-61.291.1170.6-163.2-176.617700108.2K72 A116 R118K72-E120 PolarHBondContact NZ-O 3.5Å; A116-E120 PolarHBondContact O-N 3.19Å; R118-E120 VanDerWaalsContact C-N 3.32Å
121K58.3Low63.7Low172 Ų172113.9 Ų113.975%0.74858%0.578SS**  trans-65.3137.9175.8-107.9-178170.3173.80107.3K119 D123K119-K121 PolarHBondContact O-N 3.49Å; K121-D123 PolarHBondContact O-N 2.99Å
122D56.1Low61.7Low108 Ų108115.6 Ų115.658%0.57858%0.584SS**  trans-60.975.6163.1-67.7-69.9000109.8K124 W125D122-K124 PolarHBondContact O-N 3.38Å; D122-W125 HydrophobicContact CB-CB 4.34Å; D122-W125 PolarHBondContact O-N 3.07Å
123D47.5Very low59.8Low123 Ų123117.6 Ų117.666%0.65860%0.601SS**THydrogen-bonded Turntrans-55.7-14.8166.6-76.6-30.2000111.1K121K121-D123 PolarHBondContact O-N 2.99Å
124K47.1Very low57.9Low182 Ų182122.1 Ų122.179%0.79162%0.619SS**THydrogen-bonded Turntrans-77.8-27.8177-146.9172.1-176.6179.20114.4D122D122-K124 PolarHBondContact O-N 3.38Å
125W40.8Very low55.6Low198 Ų198129.5 Ų129.575%0.7565%0.649SS**THydrogen-bonded Turntrans-77.4-32.6176.4-175.8-91.7000112D122 R127 G128D122-W125 HydrophobicContact CB-CB 4.34Å; D122-W125 PolarHBondContact O-N 3.07Å; W125-R127 PolarHBondContact O-N 2.9Å; W125-G128 PolarHBondContact O-N 3.24Å
126K39.1Very low53.4Low171 Ų171133.9 Ų133.974%0.74366%0.664SS**THydrogen-bonded Turntrans-68.5-19.1175.5-76-79.1-176.21760113.8
127R44.6Very low51.2Low209 Ų209139.4 Ų139.479%0.78969%0.685SS**THydrogen-bonded Turntrans-88-12.6178-163.7173.3-63.8-152.80.2113.8W125W125-R127 PolarHBondContact O-N 2.9Å
128G43.4Very low49.1Very low70 Ų70146.3 Ų146.372%0.72272%0.717SS**SBendtrans-92.41.4-17800000115.4W125W125-G128 PolarHBondContact O-N 3.24Å
129S41.6Very low46.8Very low90 Ų90150.1 Ų150.163%0.62975%0.746SS**  trans-107.519.1-178.863.60000114
130E41.3Very low44.9Very low155 Ų155148.7 Ų148.772%0.72475%0.751SS**SBendtrans-82.2130.2169-73.4-81.411700109V132E130-V132 PolarHBondContact O-N 3.15Å
131P43Very low43.3Very low113 Ų113148.8 Ų148.873%0.73476%0.76SS**PPolyproline II helixtrans-64.4123173.926.4-30.3000109.1
132V42.8Very low42.3Very low132 Ų132150.4 Ų150.480%0.877%0.768SS**PPolyproline II helixtrans-59127.8173.71770000108.5E130 E134E130-V132 PolarHBondContact O-N 3.15Å; V132-E134 PolarHBondContact O-N 3.07Å
133P41.6Very low41.3Very low109 Ų109154 Ų15471%0.70878%0.781SS**PPolyproline II helixtrans-67.7120.6172.711.8-6.6000109.2K135P133-K135 PolarHBondContact O-N 3.48Å
134E45.2Very low41Very low188 Ų188157.8 Ų157.888%0.87979%0.792SS**  trans-59.899.8178.3-164.3174.4-150.700110.1V132 K136V132-E134 PolarHBondContact O-N 3.07Å; E134-K136 PolarHBondContact O-N 2.85Å
135K38Very low40.3Very low194 Ų194156.2 Ų156.284%0.84380%0.797SS**  trans-79.3104.6167.9-74.1-173.7179.1-1790108.2P133 L137P133-K135 PolarHBondContact O-N 3.48Å; K135-L137 PolarHBondContact O-N 3.39Å
136K39Very low40Very low190 Ų190156.4 Ų156.483%0.82680%0.803SS**  trans-46.4120.1164.2-78.4178.8174.8-179.20109.8E134E134-K136 PolarHBondContact O-N 2.85Å
137L39.2Very low39.7Very low175 Ų175156.4 Ų156.492%0.91681%0.807SS**  trans-88.2114.1161.9-74.6163.8000107.3K135K135-L137 PolarHBondContact O-N 3.39Å
138E40.2Very low39.2Very low167 Ų167152.4 Ų152.478%0.7881%0.809SS**PPolyproline II helixtrans-74154.3170.3-69.6-153.6161.400111.2
139P36.2Very low38.7Very low117 Ų117158.4 Ų158.476%0.7682%0.818SS**PPolyproline II helixtrans-76.9137.5-159.729.4-33.1000112.9V141P139-V141 PolarHBondContact O-N 3.1Å
140V41.9Very low38.5Very low135 Ų135163.6 Ų163.682%0.81883%0.829SS**PPolyproline II helixtrans-72118.9173.2179.10000109.5
141V42.7Very low38Very low127 Ų127164.9 Ų164.977%0.7783%0.832SS**PPolyproline II helixtrans-70.8126.6173.3175.40000109.6P139P139-V141 PolarHBondContact O-N 3.1Å
142F36.8Very low37.3Very low206 Ų206167.6 Ų167.690%0.90484%0.835SS**PPolyproline II helixtrans-78.8122.9173.7-102.3-99.7000110.5
143E35.9Very low37Very low184 Ų184168.3 Ų168.386%0.8683%0.834SS**  trans-114.3134164.4-160.8154.4-178.900111.5
144K41.3Very low36.9Very low202 Ų202168.3 Ų168.388%0.87883%0.834SS**  trans-69.6140.6-159.1-75162.7171.7164.10113.3
145V32.4Very low36.1Very low148 Ų148168.1 Ų168.190%0.89783%0.834SS**  trans-119.7127.7152.9-147.50000109.4
146K34.2Very low36Very low202 Ų202166.4 Ų166.488%0.87883%0.833SS**PPolyproline II helixtrans-86127-167.7-171.3178.3179.4-1760110.4
147M32.8Very low35.8Very low171 Ų171162.9 Ų162.984%0.84283%0.829SS**PPolyproline II helixtrans-76.1143171.9-68.8173.57100111.6
148P33.9Very low35.4Very low125 Ų125164.7 Ų164.781%0.81282%0.824SS**PPolyproline II helixtrans-100.2156.2153.9-0.520.8000112.4
149Q31.6Very low35Very low197 Ų197164.8 Ų164.892%0.92182%0.822SS**PPolyproline II helixtrans-95.8158.4-150-64.3169.9-63.500115.3
150K39Very low34.8Very low199 Ų199164.5 Ų164.587%0.86582%0.822SS**PPolyproline II helixtrans-77.3153174.3-172.9-178.3-175.4-178.50112.4
151K30.4Very low34.8Very low181 Ų181163.5 Ų163.579%0.78782%0.822SS**  trans173.8144.1145.1-95.3170.9179.5-149.90109.4
152E27.9Very low34.8Very low170 Ų170163.6 Ų163.679%0.79483%0.825SS**  cis-160.7158.92.7-129163.9135.500109.5
153D36Very low34.7Very low147 Ų147163.5 Ų163.579%0.78682%0.824SS**  trans-79.1166.8-179.8-127.8-63.3000111.7
154P40.6Very low34.6Very low109 Ų109159.4 Ų159.471%0.70882%0.815SS**  -158.615475.638.8-15.9000120.4
155Q29Very low34.5Very low184 Ų184156.1 Ų156.186%0.8681%0.813SS**  106.8120128.8-111.7170.5-17.900122.5
156L34.5Very low35.1Very low158 Ų158153.8 Ų153.883%0.82781%0.809SS**  trans-74.1164.6169.1-71.6156.8000113.1
157P34.4Very low35.7Very low116 Ų116149 Ų14975%0.75380%0.799SS**  -145.7142.294.234.3-16000117.1
158R31.6Very low36.5Very low214 Ų214147.6 Ų147.681%0.80880%0.799SS**  trans42137130.8-65.6178.8-168.9-118.47.9118.3
159K31Very low37.2Very low169 Ų169149.8 Ų149.874%0.73580%0.801SS**  cis177.1156.835.3-117.5168.7-175.2-173.70110
160S32.8Very low38Very low110 Ų110147.1 Ų147.177%0.76979%0.793SS**  trans65.1129.6147.357.20000123.6
161S42.4Very low38.6Very low115 Ų115145.9 Ų145.980%0.80480%0.795SS**  trans-57.6166165.6-25.70000114.9
162P42.3Very low39.6Very low128 Ų128145 Ų14583%0.83180%0.798SS**  -138.8151.2129.531.9-15.6000115.4
163K34.6Very low40.2Very low205 Ų205140.1 Ų140.189%0.89179%0.792SS**  trans-81.2152.9158.4-78.2174.9172.6177.20109.2
164S34Very low40.6Very low97 Ų97145.3 Ų145.368%0.67882%0.819SS**  139129.1127.6-1700000115.5
165T38.2Very low40.6Very low134 Ų134147.2 Ų147.282%0.82283%0.825SS**  trans65.7126.5142.450.80000121.7
166A46Very low41.2Very low98 Ų98145.2 Ų145.281%0.8182%0.823SS**  trans-130.5152.6151.700000109.5
167P46.5Very low41.5Very low103 Ų103144.5 Ų144.567%0.66982%0.823SS**  trans-99.7162.9-145.937.3-33.9000115.1
168V49Very low41.9Very low141 Ų141146.2 Ų146.286%0.85583%0.827SS**  trans-70.9135.3167.2-168.40000108.8
169M49.9Very low42.6Very low170 Ų170141.9 Ų141.984%0.83783%0.828SS**  trans-127.4117.4165.4-15.9-163.7-176.500106.6
170D47.6Very low43.4Very low141 Ų141140.1 Ų140.175%0.75483%0.834SS**  trans-122.4123.4172.2-156.96.2000105.9
171L51.4Low44.1Very low174 Ų174142.3 Ų142.391%0.91184%0.839SS**  trans-149.198.8171.6-155.973.4000109.7
172L52.1Low44.3Very low163 Ų163144.4 Ų144.485%0.85384%0.841SS**  trans-55.6144.3165.6-67.2161.7000111.4
173G40Very low44.4Very low66 Ų66145.8 Ų145.868%0.6884%0.842SS**  trans175.484.916700000115.7
174L43.8Very low45.3Very low257 Ų257140.4 Ų140.4100%1.34684%0.838SS**  trans760165.6-72.993.5000119.1

Retrieved 174 of 174 residues in 37.4 ms (Link to these results)

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