A0A087YC84_POEFO Loading...

phosphorylase kinase

AlphaFold DB , UniProt , Accession A0A087YC84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 394 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
1M32.2Very low44.6Very low238 Ų238144.4 Ų144.4100%1.17270%0.703SS**  0102.50-147.3160.7146.600105.8
2T33.5Very low47Very low128 Ų128132.7 Ų132.779%0.78565%0.648SS**  trans37.994.3168.752.10000118.9E4T2-E4 PolarHBondContact O-N 3.11Å
3K35.7Very low49.6Very low202 Ų202124 Ų12488%0.87861%0.611SS**  trans-62.1120.3146.1-82.5178.2170.2-179.10106.9E5K3-E5 PolarHBondContact O-N 3.12Å; K3-E5 VanDerWaalsContact O-N 3.13Å
4E36.8Very low52.2Low189 Ų189123.7 Ų123.788%0.88360%0.604SS**  trans-59.4111.3162.5-71.5173.116100107T2 E6T2-E4 PolarHBondContact O-N 3.11Å; E4-E6 PolarHBondContact O-N 3.49Å; E4-E6 VanDerWaalsContact O-N 3.1Å
5E41Very low54.8Low184 Ų184122.1 Ų122.186%0.8660%0.595SS**  trans-68.9103.4175.4-73.6-179.9156.600107.8K3 I7K3-E5 PolarHBondContact O-N 3.12Å; K3-E5 VanDerWaalsContact O-N 3.13Å; E5-I7 PolarHBondContact O-N 2.82Å
6E43.6Very low57.2Low154 Ų154114.5 Ų114.572%0.7256%0.558SS**  trans-56110.8166-78.3-170.3-172.300108.7E4 P8 K97E4-E6 PolarHBondContact O-N 3.49Å; E4-E6 VanDerWaalsContact O-N 3.1Å; E6-P8 WeakPolarHBondContact O-CD 3.47Å; E6-K97 IonicContact OE2-NZ 2.71Å; E6-K97 PolarHBondContact OE2-NZ 2.59Å
7I45.3Very low59.3Low119 Ų119114.1 Ų114.161%0.6155%0.55SS*.  trans-55.1121.2172.2-59.1171.6000107.6E5 V11E5-I7 PolarHBondContact O-N 2.82Å; I7-V11 HydrophobicContact CG2-CB 3.36Å; I7-V11 HydrophobicContact CG2-CG1 3.74Å; I7-V11 HydrophobicContact CG2-CG2 3.5Å
8P46.6Very low61.3Low65 Ų65112.9 Ų112.942%0.42255%0.547SS..  trans-62.7146.5-177.211.2-18.6000112.2E6 W10 V11E6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-W10 VanDerWaalsContact CG-NE1 3.31Å; P8-W10 PolarHBondContact O-N 3.13Å; P8-V11 HydrophobicContact CG-CG2 3.8Å; P8-V11 WeakPolarHBondContact O-CG2 3.49Å; P8-V11 PolarHBondContact O-N 2.95Å
9D52.9Low63.1Low93 Ų93110.1 Ų110.150%0.49753%0.532SS..THydrogen-bonded Turntrans-49.8-28.2-170.9-60.6-2000114.6S96 K97D9-S96 WeakPolarHBondContact O-CB 3.42Å; D9-K97 WeakPolarHBondContact OD1-CD 3.43Å; D9-K97 WeakPolarHBondContact OD1-CE 3.41Å; D9-K97 WeakPolarHBondContact OD1-CG 3.49Å; D9-K97 IonicContact OD1-NZ 2.81Å; D9-K97 PolarHBondContact OD1-NZ 3.23Å
10W58.6Low64.8Low178 Ų178104.7 Ų104.767%0.67451%0.506SS*.Hα-helixtrans-75.4-13.517858.723.5000114.4P8 K14P8-W10 VanDerWaalsContact CG-NE1 3.31Å; P8-W10 PolarHBondContact O-N 3.13Å; W10-K14 WeakPolarHBondContact O-CA 3.42Å; W10-K14 WeakPolarHBondContact O-CB 3.43Å; W10-K14 PolarHBondContact O-N 3.4Å
11V64.4Low66.3Low38 Ų38102.7 Ų102.723%0.2350%0.498CS..Hα-helixtrans-72-52.8-163.4175.90000110.3I7 P8 A13 K14 E15I7-V11 HydrophobicContact CG2-CB 3.36Å; I7-V11 HydrophobicContact CG2-CG1 3.74Å; I7-V11 HydrophobicContact CG2-CG2 3.5Å; P8-V11 HydrophobicContact CG-CG2 3.8Å; P8-V11 WeakPolarHBondContact O-CG2 3.49Å; P8-V11 PolarHBondContact O-N 2.95Å; V11-A13 PolarHBondContact O-N 2.85Å; V11-K14 PolarHBondContact O-N 3.49Å; V11-E15 HydrophobicContact CG1-CG 4.32Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.3Å; V11-E15 WeakPolarHBondContact O-CB 3.28Å; V11-E15 VanDerWaalsContact O-CG 3.25Å; V11-E15 WeakPolarHBondContact O-CG 3.4Å; V11-E15 PolarHBondContact O-N 2.85Å
12G73.9Confident69.2Low4 Ų492.2 Ų92.24%0.04145%0.447CS..Hα-helixtrans-64.8-38.5177.700000113.1F16 Y94 E95G12-F16 PolarHBondContact O-N 2.83Å; G12-Y94 WeakPolarHBondContact O-CB 3.44Å; G12-E95 WeakPolarHBondContact CA-O 3.28Å
13A80.6Confident72.2Confident20 Ų2089.5 Ų89.517%0.16543%0.425CS..Hα-helixtrans-65.5-44.317500000111.4V11 F16 Y17 F101V11-A13 PolarHBondContact O-N 2.85Å; A13-F16 PolarHBondContact O-N 2.59Å; A13-Y17 HydrophobicContact CB-CD2 4.48Å; A13-Y17 HydrophobicContact CB-CE2 4.49Å; A13-Y17 WeakPolarHBondContact O-CD2 3.46Å; A13-Y17 PolarHBondContact O-N 2.63Å; A13-F101 HydrophobicContact CB-CE2 4.19Å; A13-F101 HydrophobicContact CB-CZ 4.41Å
14K86.1Confident75Confident120 Ų12084.4 Ų84.452%0.52240%0.404SS..Hα-helixtrans-65.3-43.7178.3-177.9-176.2176.3-170.40110.9W10 V11 F16 Y17 D18W10-K14 WeakPolarHBondContact O-CA 3.42Å; W10-K14 WeakPolarHBondContact O-CB 3.43Å; W10-K14 PolarHBondContact O-N 3.4Å; V11-K14 PolarHBondContact O-N 3.49Å; K14-F16 VanDerWaalsContact C-N 3.32Å; K14-F16 PolarHBondContact O-N 2.76Å; K14-Y17 CarbonylContact O-C 3.55Å; K14-Y17 PolarHBondContact O-N 3.42Å; K14-D18 WeakPolarHBondContact CE-OD2 3.49Å; K14-D18 WeakPolarHBondContact CG-OD2 3.36Å; K14-D18 WeakPolarHBondContact O-CA 3.38Å; K14-D18 WeakPolarHBondContact O-CB 3.49Å; K14-D18 PolarHBondContact O-N 2.78Å
15E90.4Very high77.7Confident100 Ų10078.8 Ų78.847%0.46738%0.379SS..Hα-helixtrans-58.6-44.1175-75.8174.2179.100111.7V11 D18 K19 Y94V11-E15 HydrophobicContact CG1-CG 4.32Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.3Å; V11-E15 WeakPolarHBondContact O-CB 3.28Å; V11-E15 VanDerWaalsContact O-CG 3.25Å; V11-E15 WeakPolarHBondContact O-CG 3.4Å; V11-E15 PolarHBondContact O-N 2.85Å; E15-D18 PolarHBondContact O-N 3.29Å; E15-K19 PolarHBondContact O-N 3.35Å; E15-Y94 HydrophobicContact CB-CD1 3.71Å; E15-Y94 HydrophobicContact CB-CE1 3.79Å
16F93.7Very high80.1Confident0 Ų074.2 Ų74.20%036%0.36CS..Hα-helixtrans-60.2-53172.6171.6-98.5000111.3G12 A13 K14 D18 K19 Y20 P22 V48 Y94 F101 V103G12-F16 PolarHBondContact O-N 2.83Å; A13-F16 PolarHBondContact O-N 2.59Å; K14-F16 VanDerWaalsContact C-N 3.32Å; K14-F16 PolarHBondContact O-N 2.76Å; F16-D18 VanDerWaalsContact C-N 3.27Å; F16-D18 PolarHBondContact O-N 3.24Å; F16-K19 PolarHBondContact O-N 3.46Å; F16-Y20 AromaticContact CD2-CD2 3.86Å; F16-Y20 HydrophobicContact CD2-CD2 3.86Å; F16-Y20 HydrophobicContact CD2-CG 4.3Å; F16-Y20 AromaticContact CE2-CD2 3.95Å; F16-Y20 HydrophobicContact CE2-CD2 3.95Å; F16-Y20 AromaticContact CE2-CG 3.95Å; F16-Y20 HydrophobicContact CE2-CG 3.95Å; F16-Y20 WeakPolarHBondContact O-CA 3.48Å; F16-Y20 WeakPolarHBondContact O-CB 3.42Å; F16-Y20 PolarHBondContact O-N 3.07Å; F16-P22 HydrophobicContact CE1-CB 4.49Å; F16-P22 HydrophobicContact CE1-CG 4.22Å; F16-P22 HydrophobicContact CZ-CB 4.49Å; F16-V48 HydrophobicContact CD2-CG2 4.46Å; F16-V48 HydrophobicContact CE2-CB 4.08Å; F16-V48 HydrophobicContact CE2-CG1 4.33Å; F16-V48 HydrophobicContact CE2-CG2 3.67Å; F16-V48 HydrophobicContact CZ-CB 4.2Å; F16-V48 HydrophobicContact CZ-CG1 3.93Å; F16-V48 HydrophobicContact CZ-CG2 3.96Å; F16-Y94 HydrophobicContact CB-CD2 3.79Å; F16-Y94 HydrophobicContact CB-CE2 4.23Å; F16-Y94 HydrophobicContact CB-CG 3.97Å; F16-Y94 AromaticContact CD2-CD2 3.91Å; F16-Y94 HydrophobicContact CD2-CD2 3.91Å; F16-Y94 HydrophobicContact CD2-CE2 4.03Å; F16-Y94 HydrophobicContact CG-CD2 4.34Å; F16-F101 HydrophobicContact CB-CD1 4.45Å; F16-F101 HydrophobicContact CB-CD2 4.4Å; F16-F101 HydrophobicContact CB-CG 4.21Å; F16-F101 AromaticContact CD1-CD1 3.68Å; F16-F101 HydrophobicContact CD1-CD1 3.68Å; F16-F101 AromaticContact CD1-CE1 3.83Å; F16-F101 HydrophobicContact CD1-CE1 3.83Å; F16-F101 HydrophobicContact CD1-CG 4.29Å; F16-F101 HydrophobicContact CD2-CB 4.02Å; F16-F101 HydrophobicContact CD2-CD1 4.15Å; F16-F101 HydrophobicContact CD2-CG 4.24Å; F16-F101 AromaticContact CE1-CD1 3.96Å; F16-F101 HydrophobicContact CE1-CD1 3.96Å; F16-F101 HydrophobicContact CE1-CE1 4.15Å; F16-F101 HydrophobicContact CE2-CD1 4.41Å; F16-F101 HydrophobicContact CG-CB 4.21Å; F16-F101 AromaticContact CG-CD1 3.8Å; F16-F101 HydrophobicContact CG-CD1 3.8Å; F16-F101 HydrophobicContact CG-CE1 4.33Å; F16-F101 AromaticContact CG-CG 3.96Å; F16-F101 HydrophobicContact CG-CG 3.96Å; F16-F101 HydrophobicContact CZ-CD1 4.32Å; F16-V103 HydrophobicContact CD2-CG2 4.29Å; F16-V103 HydrophobicContact CE2-CG2 4.09Å
17Y93.4Very high82.1Confident107 Ų10768.2 Ų68.242%0.4234%0.339SS..Hα-helixtrans-69.7-21.1-178.4-74.4-65.9000113.5A13 K14 P22 K40A13-Y17 HydrophobicContact CB-CD2 4.48Å; A13-Y17 HydrophobicContact CB-CE2 4.49Å; A13-Y17 WeakPolarHBondContact O-CD2 3.46Å; A13-Y17 PolarHBondContact O-N 2.63Å; K14-Y17 CarbonylContact O-C 3.55Å; K14-Y17 PolarHBondContact O-N 3.42Å; Y17-P22 HydrophobicContact CD1-CG 4.26Å; Y17-P22 HydrophobicContact CE1-CG 3.71Å; Y17-K40 WeakPolarHBondContact O-CE 3.37Å; Y17-K40 PolarHBondContact O-NZ 3.4Å
18D94.2Very high84Confident94 Ų9471.8 Ų71.850%0.50335%0.345SS..Hα-helixtrans-74.9-36176.2-77.9-11.8000110.1K14 E15 F16 K40K14-D18 WeakPolarHBondContact CE-OD2 3.49Å; K14-D18 WeakPolarHBondContact CG-OD2 3.36Å; K14-D18 WeakPolarHBondContact O-CA 3.38Å; K14-D18 WeakPolarHBondContact O-CB 3.49Å; K14-D18 PolarHBondContact O-N 2.78Å; E15-D18 PolarHBondContact O-N 3.29Å; F16-D18 VanDerWaalsContact C-N 3.27Å; F16-D18 PolarHBondContact O-N 3.24Å; D18-K40 WeakPolarHBondContact O-CD 3.49Å
19K96.4Very high85.3Confident59 Ų5970.8 Ų70.826%0.25735%0.347SS..Hα-helixtrans-92.8-38179.8-172.6175.1178.1-169.30114.2E15 F16 D39 K40 D92 Y94E15-K19 PolarHBondContact O-N 3.35Å; F16-K19 PolarHBondContact O-N 3.46Å; K19-D39 VanDerWaalsContact CE-OD2 3.3Å; K19-D39 WeakPolarHBondContact CE-OD2 3.39Å; K19-K40 WeakPolarHBondContact O-CB 3.33Å; K19-K40 WeakPolarHBondContact O-CG 3.35Å; K19-K40 PolarHBondContact O-N 2.76Å; K19-D92 IonicContact NZ-OD1 3.97Å; K19-D92 IonicContact NZ-OD2 2.63Å; K19-D92 PolarHBondContact NZ-OD2 2.69Å; K19-Y94 WeakPolarHBondContact CD-OH 3.3Å
20Y97.2Very high86.3Confident2 Ų273.5 Ų73.51%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-117.5144.1-171.1-66.9-76.5000112.5F16 V38 D39 Y46 D92 Y94 V103F16-Y20 AromaticContact CD2-CD2 3.86Å; F16-Y20 HydrophobicContact CD2-CD2 3.86Å; F16-Y20 HydrophobicContact CD2-CG 4.3Å; F16-Y20 AromaticContact CE2-CD2 3.95Å; F16-Y20 HydrophobicContact CE2-CD2 3.95Å; F16-Y20 AromaticContact CE2-CG 3.95Å; F16-Y20 HydrophobicContact CE2-CG 3.95Å; F16-Y20 WeakPolarHBondContact O-CA 3.48Å; F16-Y20 WeakPolarHBondContact O-CB 3.42Å; F16-Y20 PolarHBondContact O-N 3.07Å; Y20-V38 CarbonylContact C-O 3.57Å; Y20-V38 WeakPolarHBondContact CA-O 3.38Å; Y20-D39 HydrophobicContact CD1-CB 4.09Å; Y20-D39 HydrophobicContact CE1-CB 3.76Å; Y20-Y46 HydrophobicContact CD1-CD2 4.37Å; Y20-Y46 AromaticContact CE1-CD2 3.66Å; Y20-Y46 HydrophobicContact CE1-CD2 3.66Å; Y20-Y46 HydrophobicContact CE1-CE2 4Å; Y20-Y46 HydrophobicContact CE1-CG 4.38Å; Y20-D92 HydrophobicContact CE2-CB 4.38Å; Y20-D92 PolarHBondContact OH-OD2 3.36Å; Y20-Y94 HydrophobicContact CD2-CE2 4.14Å; Y20-Y94 AromaticContact CE2-CE2 3.97Å; Y20-Y94 HydrophobicContact CE2-CE2 3.97Å; Y20-V103 HydrophobicContact CD2-CG2 4.28Å; Y20-V103 HydrophobicContact CE1-CG1 4.07Å; Y20-V103 HydrophobicContact CE2-CG1 4.42Å; Y20-V103 HydrophobicContact CE2-CG2 4.03Å
21D95.4Very high87.3Confident63 Ų6366.7 Ų66.734%0.33735%0.346SS..EExtended strand (participates in β ladder)trans-110.9106.6171.5-173.519.2000110.6K23 C37 V38 K40D21-K23 WeakPolarHBondContact OD2-CE 3.18Å; D21-K23 IonicContact OD2-NZ 3.55Å; D21-K23 PolarHBondContact OD2-NZ 3.43Å; D21-C37 VanDerWaalsContact O-CA 3.31Å; D21-C37 WeakPolarHBondContact O-CA 3.25Å; D21-V38 PolarHBondContact N-O 3.07Å; D21-V38 PolarHBondContact O-N 3.27Å; D21-K40 HydrophobicContact CB-CG 4.3Å
22P94.4Very high88.4Confident18 Ų1866.4 Ų66.412%0.11735%0.346CS..EExtended strand (participates in β ladder)trans-74.3138.4-179.528.3-31.2000112.4F16 Y17F16-P22 HydrophobicContact CE1-CB 4.49Å; F16-P22 HydrophobicContact CE1-CG 4.22Å; F16-P22 HydrophobicContact CZ-CB 4.49Å; Y17-P22 HydrophobicContact CD1-CG 4.26Å; Y17-P22 HydrophobicContact CE1-CG 3.71Å
23K95.8Very high89.3Confident70 Ų7067.6 Ų67.630%0.30435%0.352SS..EExtended strand (participates in β ladder)trans-115.3-142.5-173.8-53.1-61.8-170.2-179.50110.6D21 R35 R36 V38D21-K23 WeakPolarHBondContact OD2-CE 3.18Å; D21-K23 IonicContact OD2-NZ 3.55Å; D21-K23 PolarHBondContact OD2-NZ 3.43Å; K23-R35 VanDerWaalsContact O-CZ 3.22Å; K23-R35 PolarHBondContact O-NE 3.21Å; K23-R35 PolarHBondContact O-NH2 2.79Å; K23-R36 HydrophobicContact CB-CB 4.27Å; K23-R36 PolarHBondContact N-O 3.42Å; K23-V38 HydrophobicContact CG-CG2 4.13Å
24E94.8Very high89.9Confident95 Ų9568.8 Ų68.844%0.44436%0.358SS..EExtended strand (participates in β ladder)trans-64.5160.3-179.271.3-77.3179.100113.5R35 R36E24-R35 VanDerWaalsContact O-CA 3.3Å; E24-R35 WeakPolarHBondContact O-CA 3.49Å; E24-R35 WeakPolarHBondContact O-CB 3.44Å; E24-R36 VanDerWaalsContact CD-NE 3.34Å; E24-R36 PolarHBondContact O-N 2.82Å; E24-R36 IonicContact OE1-CZ 3.79Å; E24-R36 IonicContact OE1-NE 3.49Å; E24-R36 PolarHBondContact OE1-NE 3.12Å; E24-R36 IonicContact OE1-NH2 3.12Å; E24-R36 IonicContact OE2-CZ 2.6Å; E24-R36 IonicContact OE2-NE 2.84Å; E24-R36 PolarHBondContact OE2-NE 2.88Å; E24-R36 IonicContact OE2-NH2 3.07Å; E24-R36 PolarHBondContact OE2-NH2 2.7Å
25I94.1Very high90.4Very high72 Ų7266.8 Ų66.837%0.36935%0.347SS..EExtended strand (participates in β ladder)trans-81.4129.2176.2-63.9172.5000108.6G27 R28 V33 R35I25-G27 WeakPolarHBondContact CG2-O 2.86Å; I25-R28 HydrophobicContact CG2-CG 4.07Å; I25-V33 HydrophobicContact CB-CG2 4.49Å; I25-V33 HydrophobicContact CD1-CG2 4.1Å; I25-V33 HydrophobicContact CG1-CG2 4.01Å; I25-V33 HydrophobicContact CG2-CG2 3.77Å; I25-R35 HydrophobicContact CG1-CG 3.98Å
26L89.4Confident90.7Very high88 Ų8864.1 Ų64.146%0.46133%0.332SS..EExtended strand (participates in β ladder)trans-93.9-35.1175-57.9177.6000111.2V34 R36 A47 L106L26-V34 HydrophobicContact CB-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG1 4.46Å; L26-V34 PolarHBondContact N-O 3.02Å; L26-R36 HydrophobicContact CD1-CB 4.11Å; L26-R36 HydrophobicContact CD2-CB 4.25Å; L26-R36 HydrophobicContact CG-CB 4.26Å; L26-A47 HydrophobicContact CD1-CB 4.2Å; L26-L106 HydrophobicContact CD1-CD1 3.64Å
27G86Confident90.8Very high27 Ų2764.1 Ų64.128%0.27833%0.332SS..EExtended strand (participates in β ladder)trans-161.2162.3-178.300000113.2I25 V34I25-G27 WeakPolarHBondContact CG2-O 2.86Å; G27-V34 PolarHBondContact N-O 2.6Å; G27-V34 PolarHBondContact O-N 3.1Å
28R85.4Confident91Very high194 Ų19459.7 Ų59.773%0.73232%0.316SS*.EExtended strand (participates in β ladder)trans-132.9125.6177-68.4-179.3179-94.17.1109.9I25 V33I25-R28 HydrophobicContact CG2-CG 4.07Å; R28-V33 HydrophobicContact CG-CG2 4.25Å
29G75.3Confident91.2Very high45 Ų4555.7 Ų55.746%0.46430%0.295SS..  trans-97.3-172166.500000111.6S32G29-S32 PolarHBondContact N-O 3.47Å
30V73.6Confident91.2Very high149 Ų14958.2 Ų58.290%0.90331%0.306SS*.SBendtrans-66.3-46.5179.2179.10000111.6
31S78.1Confident91.1Very high36 Ų3665.3 Ų65.325%0.25234%0.339SS..SBendtrans-124.317.6-178.4-48.50000112.4D52S31-D52 PolarHBondContact O-N 2.79Å
32S88.2Confident91.2Very high31 Ų3166.5 Ų66.522%0.21735%0.348CS..EExtended strand (participates in β ladder)trans-143.8152.8-175.965.40000112.8G29 I50G29-S32 PolarHBondContact N-O 3.47Å; S32-I50 CarbonylContact C-O 3.4Å; S32-I50 WeakPolarHBondContact CA-O 3.2Å; S32-I50 WeakPolarHBondContact CB-O 3.33Å
33V92.2Very high91.2Very high30 Ų3072.1 Ų72.118%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-129.3133.6171.863.20000109.3I25 R28 R35 I50I25-V33 HydrophobicContact CB-CG2 4.49Å; I25-V33 HydrophobicContact CD1-CG2 4.1Å; I25-V33 HydrophobicContact CG1-CG2 4.01Å; I25-V33 HydrophobicContact CG2-CG2 3.77Å; R28-V33 HydrophobicContact CG-CG2 4.25Å; V33-R35 HydrophobicContact CG2-CG 4.2Å; V33-I50 HydrophobicContact CG1-CB 3.85Å; V33-I50 HydrophobicContact CG1-CD1 4.24Å; V33-I50 HydrophobicContact CG1-CG1 4.38Å; V33-I50 PolarHBondContact N-O 2.71Å; V33-I50 PolarHBondContact O-N 2.86Å
34V94Very high91.2Very high45 Ų4573.8 Ų73.827%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-102.2126.2174.7-174.90000108.3L26 G27 A47 V48 K49L26-V34 HydrophobicContact CB-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG1 4.46Å; L26-V34 PolarHBondContact N-O 3.02Å; G27-V34 PolarHBondContact N-O 2.6Å; G27-V34 PolarHBondContact O-N 3.1Å; V34-A47 HydrophobicContact CG1-CB 4.26Å; V34-V48 CarbonylContact C-O 3.53Å; V34-V48 VanDerWaalsContact CA-O 3.3Å; V34-V48 WeakPolarHBondContact CA-O 2.91Å; V34-K49 HydrophobicContact CG2-CB 4.25Å; V34-K49 HydrophobicContact CG2-CG 4.24Å
35R95.8Very high91.3Very high77 Ų7772.1 Ų72.129%0.29138%0.379SS..EExtended strand (participates in β ladder)trans-124.1150178.4-62.2-178.672.7169.7-1.3110.1K23 E24 I25 V33 A47 V48K23-R35 VanDerWaalsContact O-CZ 3.22Å; K23-R35 PolarHBondContact O-NE 3.21Å; K23-R35 PolarHBondContact O-NH2 2.79Å; E24-R35 VanDerWaalsContact O-CA 3.3Å; E24-R35 WeakPolarHBondContact O-CA 3.49Å; E24-R35 WeakPolarHBondContact O-CB 3.44Å; I25-R35 HydrophobicContact CG1-CG 3.98Å; V33-R35 HydrophobicContact CG2-CG 4.2Å; R35-A47 CarbonylContact O-C 3.58Å; R35-A47 WeakPolarHBondContact O-CA 3.35Å; R35-V48 HydrophobicContact CB-CG1 4.01Å; R35-V48 PolarHBondContact N-O 2.83Å; R35-V48 PolarHBondContact O-N 2.98Å
36R96.8Very high91.5Very high45 Ų4570.4 Ų70.417%0.1737%0.368CS..EExtended strand (participates in β ladder)trans-67.5142.2161.9-173.8174.362.889.56.7108.1K23 E24 L26 E45 Y46 L106K23-R36 HydrophobicContact CB-CB 4.27Å; K23-R36 PolarHBondContact N-O 3.42Å; E24-R36 VanDerWaalsContact CD-NE 3.34Å; E24-R36 PolarHBondContact O-N 2.82Å; E24-R36 IonicContact OE1-CZ 3.79Å; E24-R36 IonicContact OE1-NE 3.49Å; E24-R36 PolarHBondContact OE1-NE 3.12Å; E24-R36 IonicContact OE1-NH2 3.12Å; E24-R36 IonicContact OE2-CZ 2.6Å; E24-R36 IonicContact OE2-NE 2.84Å; E24-R36 PolarHBondContact OE2-NE 2.88Å; E24-R36 IonicContact OE2-NH2 3.07Å; E24-R36 PolarHBondContact OE2-NH2 2.7Å; L26-R36 HydrophobicContact CD1-CB 4.11Å; L26-R36 HydrophobicContact CD2-CB 4.25Å; L26-R36 HydrophobicContact CG-CB 4.26Å; R36-E45 WeakPolarHBondContact CD-OE1 3.48Å; R36-E45 IonicContact CZ-OE1 3.8Å; R36-E45 IonicContact NE-OE1 3.64Å; R36-E45 IonicContact NH1-OE1 2.82Å; R36-E45 PolarHBondContact NH1-OE1 2.9Å; R36-Y46 CarbonylContact C-O 3.52Å; R36-Y46 WeakPolarHBondContact CA-O 3.34Å; R36-L106 HydrophobicContact CG-CD2 4.07Å
37C96.9Very high91.9Very high0 Ų066.7 Ų66.70%035%0.35CS..EExtended strand (participates in β ladder)trans-136.2158.916961.80000110.6D21 Y46 V48D21-C37 VanDerWaalsContact O-CA 3.31Å; D21-C37 WeakPolarHBondContact O-CA 3.25Å; C37-Y46 PolarHBondContact N-O 2.74Å; C37-Y46 PolarHBondContact O-N 2.73Å; C37-V48 HydrophobicContact CB-CG1 4.06Å
38V97.6Very high92.4Very high14 Ų1465.4 Ų65.49%0.08534%0.337CS..EExtended strand (participates in β ladder)trans-122.2130.4179.2-176.40000108.6Y20 D21 K23 K40 D43 E45Y20-V38 CarbonylContact C-O 3.57Å; Y20-V38 WeakPolarHBondContact CA-O 3.38Å; D21-V38 PolarHBondContact N-O 3.07Å; D21-V38 PolarHBondContact O-N 3.27Å; K23-V38 HydrophobicContact CG-CG2 4.13Å; V38-K40 PolarHBondContact O-N 2.86Å; V38-D43 WeakPolarHBondContact CG1-OD1 2.99Å; V38-E45 HydrophobicContact CG2-CG 4.45Å
39D97.6Very high92.9Very high9 Ų957.3 Ų57.35%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-69.7121.8171.1-179-46.1000109.4K19 Y20 H41 T42 D43 Q44 Y46K19-D39 VanDerWaalsContact CE-OD2 3.3Å; K19-D39 WeakPolarHBondContact CE-OD2 3.39Å; Y20-D39 HydrophobicContact CD1-CB 4.09Å; Y20-D39 HydrophobicContact CE1-CB 3.76Å; D39-H41 PolarHBondContact O-N 2.91Å; D39-H41 WeakPolarHBondContact OD1-CA 3.47Å; D39-H41 WeakPolarHBondContact OD1-CB 3.31Å; D39-H41 IonicContact OD1-CD2 3.93Å; D39-H41 PolarHBondContact OD1-N 2.88Å; D39-T42 VanDerWaalsContact CB-OG1 3.3Å; D39-T42 WeakPolarHBondContact CB-OG1 2.72Å; D39-T42 PolarHBondContact O-N 3.33Å; D39-T42 PolarHBondContact OD1-N 3.49Å; D39-T42 VanDerWaalsContact OD1-N 3.11Å; D39-T42 PolarHBondContact OD1-OG1 2.84Å; D39-T42 PolarHBondContact OD2-OG1 2.75Å; D39-D43 VanDerWaalsContact O-CA 3.28Å; D39-D43 WeakPolarHBondContact O-CA 3.35Å; D39-D43 PolarHBondContact O-N 2.7Å; D39-Q44 PolarHBondContact N-O 3.29Å; D39-Y46 HydrophobicContact CB-CD2 4.27Å; D39-Y46 HydrophobicContact CB-CE2 3.8Å
40K96.8Very high93.8Very high112 Ų11256 Ų5649%0.48729%0.289SS..THydrogen-bonded Turntrans-67.6-19.7-173.9-66.1179.9-178.4179.30113.8Y17 D18 K19 D21 V38Y17-K40 WeakPolarHBondContact O-CE 3.37Å; Y17-K40 PolarHBondContact O-NZ 3.4Å; D18-K40 WeakPolarHBondContact O-CD 3.49Å; K19-K40 WeakPolarHBondContact O-CB 3.33Å; K19-K40 WeakPolarHBondContact O-CG 3.35Å; K19-K40 PolarHBondContact O-N 2.76Å; D21-K40 HydrophobicContact CB-CG 4.3Å; V38-K40 PolarHBondContact O-N 2.86Å
41H95.3Very high94.7Very high152 Ų15249.2 Ų49.270%0.70425%0.248SC*.THydrogen-bonded Turntrans-94.1-36.6-178.8-59.2-66.7000112.3D39D39-H41 PolarHBondContact O-N 2.91Å; D39-H41 WeakPolarHBondContact OD1-CA 3.47Å; D39-H41 WeakPolarHBondContact OD1-CB 3.31Å; D39-H41 IonicContact OD1-CD2 3.93Å; D39-H41 PolarHBondContact OD1-N 2.88Å
42T96.4Very high95.2Very high87 Ų8750.5 Ų50.553%0.53425%0.252SS..THydrogen-bonded Turntrans-105-11.9-174.260.70000114D39 Q44D39-T42 VanDerWaalsContact CB-OG1 3.3Å; D39-T42 WeakPolarHBondContact CB-OG1 2.72Å; D39-T42 PolarHBondContact O-N 3.33Å; D39-T42 PolarHBondContact OD1-N 3.49Å; D39-T42 VanDerWaalsContact OD1-N 3.11Å; D39-T42 PolarHBondContact OD1-OG1 2.84Å; D39-T42 PolarHBondContact OD2-OG1 2.75Å; T42-Q44 PolarHBondContact O-N 3.15Å; T42-Q44 VanDerWaalsContact O-N 3.12Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.41Å
43D95.2Very high95.1Very high136 Ų13649.2 Ų49.273%0.72724%0.242SC*.  trans58.115.2-171.7-154.338.4000113.5V38 D39V38-D43 WeakPolarHBondContact CG1-OD1 2.99Å; D39-D43 VanDerWaalsContact O-CA 3.28Å; D39-D43 WeakPolarHBondContact O-CA 3.35Å; D39-D43 PolarHBondContact O-N 2.7Å
44Q96.7Very high94.7Very high106 Ų10649.8 Ų49.850%0.49525%0.246SC..  trans-78.6136.4178.8-176.962.545.100110.2D39 T42 Y46D39-Q44 PolarHBondContact N-O 3.29Å; T42-Q44 PolarHBondContact O-N 3.15Å; T42-Q44 VanDerWaalsContact O-N 3.12Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.41Å; Q44-Y46 HydrophobicContact CB-CE2 3.74Å; Q44-Y46 HydrophobicContact CG-CD2 4.46Å; Q44-Y46 HydrophobicContact CG-CE1 4.21Å; Q44-Y46 HydrophobicContact CG-CE2 3.65Å; Q44-Y46 WeakPolarHBondContact CG-OH 3.5Å; Q44-Y46 VanDerWaalsContact O-CD2 3.28Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.29Å; Q44-Y46 WeakPolarHBondContact O-CE2 3.29Å
45E96.8Very high93.9Very high60 Ų6053.1 Ų53.128%0.2827%0.268SS..EExtended strand (participates in β ladder)trans-87141.4179-54.5-171.7112.600112.4R36 V38 L106 K108R36-E45 WeakPolarHBondContact CD-OE1 3.48Å; R36-E45 IonicContact CZ-OE1 3.8Å; R36-E45 IonicContact NE-OE1 3.64Å; R36-E45 IonicContact NH1-OE1 2.82Å; R36-E45 PolarHBondContact NH1-OE1 2.9Å; V38-E45 HydrophobicContact CG2-CG 4.45Å; E45-L106 HydrophobicContact CB-CD2 3.75Å; E45-K108 IonicContact OE2-NZ 3.7Å
46Y97.4Very high92.7Very high35 Ų3551.7 Ų51.714%0.13727%0.27CS..EExtended strand (participates in β ladder)trans-139.9172.8-180-62.9-78.8000110.9Y20 R36 C37 D39 Q44 K91 V103 F104Y20-Y46 HydrophobicContact CD1-CD2 4.37Å; Y20-Y46 AromaticContact CE1-CD2 3.66Å; Y20-Y46 HydrophobicContact CE1-CD2 3.66Å; Y20-Y46 HydrophobicContact CE1-CE2 4Å; Y20-Y46 HydrophobicContact CE1-CG 4.38Å; R36-Y46 CarbonylContact C-O 3.52Å; R36-Y46 WeakPolarHBondContact CA-O 3.34Å; C37-Y46 PolarHBondContact N-O 2.74Å; C37-Y46 PolarHBondContact O-N 2.73Å; D39-Y46 HydrophobicContact CB-CD2 4.27Å; D39-Y46 HydrophobicContact CB-CE2 3.8Å; Q44-Y46 HydrophobicContact CB-CE2 3.74Å; Q44-Y46 HydrophobicContact CG-CD2 4.46Å; Q44-Y46 HydrophobicContact CG-CE1 4.21Å; Q44-Y46 HydrophobicContact CG-CE2 3.65Å; Q44-Y46 WeakPolarHBondContact CG-OH 3.5Å; Q44-Y46 VanDerWaalsContact O-CD2 3.28Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.29Å; Q44-Y46 WeakPolarHBondContact O-CE2 3.29Å; Y46-K91 HydrophobicContact CD1-CG 4.13Å; Y46-K91 HydrophobicContact CE1-CG 3.91Å; Y46-V103 HydrophobicContact CD1-CG1 4.32Å; Y46-V103 HydrophobicContact CG-CG1 3.99Å; Y46-F104 WeakPolarHBondContact CA-O 3.43Å; Y46-F104 WeakPolarHBondContact CB-O 3.48Å
47A97.2Very high91.5Very high11 Ų1158.3 Ų58.39%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-114132.5167.600000109.7L26 V34 R35 V103 F104 L106L26-A47 HydrophobicContact CD1-CB 4.2Å; V34-A47 HydrophobicContact CG1-CB 4.26Å; R35-A47 CarbonylContact O-C 3.58Å; R35-A47 WeakPolarHBondContact O-CA 3.35Å; A47-V103 CarbonylContact O-C 3.53Å; A47-V103 WeakPolarHBondContact O-CA 3.42Å; A47-F104 PolarHBondContact N-O 3.46Å; A47-F104 PolarHBondContact O-N 3.4Å; A47-L106 HydrophobicContact CB-CD1 4.15Å
48V97.1Very high90.2Very high0 Ų067.5 Ų67.50%035%0.349CS..EExtended strand (participates in β ladder)trans-111122.2174.261.10000110.2F16 V34 R35 C37 I50 F101 L102 V103F16-V48 HydrophobicContact CD2-CG2 4.46Å; F16-V48 HydrophobicContact CE2-CB 4.08Å; F16-V48 HydrophobicContact CE2-CG1 4.33Å; F16-V48 HydrophobicContact CE2-CG2 3.67Å; F16-V48 HydrophobicContact CZ-CB 4.2Å; F16-V48 HydrophobicContact CZ-CG1 3.93Å; F16-V48 HydrophobicContact CZ-CG2 3.96Å; V34-V48 CarbonylContact C-O 3.53Å; V34-V48 VanDerWaalsContact CA-O 3.3Å; V34-V48 WeakPolarHBondContact CA-O 2.91Å; R35-V48 HydrophobicContact CB-CG1 4.01Å; R35-V48 PolarHBondContact N-O 2.83Å; R35-V48 PolarHBondContact O-N 2.98Å; C37-V48 HydrophobicContact CB-CG1 4.06Å; V48-I50 HydrophobicContact CG1-CD1 4.34Å; V48-I50 HydrophobicContact CG1-CG1 4.22Å; V48-I50 HydrophobicContact CG2-CG1 3.96Å; V48-F101 HydrophobicContact CG2-CB 4.06Å; V48-F101 HydrophobicContact CG2-CD1 4.24Å; V48-L102 CarbonylContact C-O 3.54Å; V48-L102 VanDerWaalsContact CA-O 3.31Å; V48-L102 WeakPolarHBondContact CA-O 2.95Å; V48-V103 HydrophobicContact CB-CG2 4.5Å; V48-V103 HydrophobicContact CG2-CG2 4.25Å
49K95.4Very high89.2Confident24 Ų2469.4 Ų69.410%0.10436%0.358CS..EExtended strand (participates in β ladder)trans-88.3113.5167.3-175.6178.5175.8-177.30107.3V34 I51 E74 L102 F104 D168V34-K49 HydrophobicContact CG2-CB 4.25Å; V34-K49 HydrophobicContact CG2-CG 4.24Å; K49-I51 HydrophobicContact CG-CG1 4.26Å; K49-E74 IonicContact NZ-OE1 3.51Å; K49-E74 PolarHBondContact NZ-OE1 3.11Å; K49-E74 IonicContact NZ-OE2 3.45Å; K49-E74 PolarHBondContact NZ-OE2 3.02Å; K49-L102 HydrophobicContact CB-CB 4.32Å; K49-L102 PolarHBondContact N-O 2.84Å; K49-L102 PolarHBondContact O-N 3.19Å; K49-F104 HydrophobicContact CB-CD2 4.45Å; K49-F104 HydrophobicContact CB-CE2 3.91Å; K49-F104 HydrophobicContact CD-CE2 4.47Å; K49-D168 IonicContact NZ-OD1 3.54Å; K49-D168 PolarHBondContact NZ-OD1 2.79Å
50I94.2Very high88.6Confident16 Ų1672.3 Ų72.38%0.08238%0.376CS..EExtended strand (participates in β ladder)trans-102.1116.4178.4-49.6175.2000107.2S32 V33 V48 F99 F100 F101S32-I50 CarbonylContact C-O 3.4Å; S32-I50 WeakPolarHBondContact CA-O 3.2Å; S32-I50 WeakPolarHBondContact CB-O 3.33Å; V33-I50 HydrophobicContact CG1-CB 3.85Å; V33-I50 HydrophobicContact CG1-CD1 4.24Å; V33-I50 HydrophobicContact CG1-CG1 4.38Å; V33-I50 PolarHBondContact N-O 2.71Å; V33-I50 PolarHBondContact O-N 2.86Å; V48-I50 HydrophobicContact CG1-CD1 4.34Å; V48-I50 HydrophobicContact CG1-CG1 4.22Å; V48-I50 HydrophobicContact CG2-CG1 3.96Å; I50-F99 HydrophobicContact CG2-CB 4.39Å; I50-F99 HydrophobicContact CG2-CD1 3.98Å; I50-F99 HydrophobicContact CG2-CG 4.42Å; I50-F100 CarbonylContact C-O 3.54Å; I50-F100 VanDerWaalsContact CA-O 3.31Å; I50-F100 WeakPolarHBondContact CA-O 3.17Å; I50-F101 HydrophobicContact CB-CD1 4.49Å; I50-F101 HydrophobicContact CD1-CD1 4.29Å; I50-F101 HydrophobicContact CD1-CE1 4.14Å; I50-F101 HydrophobicContact CG1-CD1 3.88Å; I50-F101 HydrophobicContact CG1-CE1 4.13Å; I50-F101 HydrophobicContact CG2-CD1 4.12Å; I50-F101 HydrophobicContact CG2-CE1 3.84Å; I50-F101 HydrophobicContact CG2-CZ 4.41Å
51I92.3Very high88Confident8 Ų872.2 Ų72.24%0.04139%0.387CS..EExtended strand (participates in β ladder)trans-105.6126.9179.8-58.5163.7000107.7K49 I53 I67 T71 F99 F100 L102K49-I51 HydrophobicContact CG-CG1 4.26Å; I51-I53 HydrophobicContact CG2-CG2 4.44Å; I51-I67 HydrophobicContact CG2-CG2 3.98Å; I51-T71 HydrophobicContact CD1-CG2 3.57Å; I51-F99 CarbonylContact O-C 3.51Å; I51-F99 WeakPolarHBondContact O-CA 3.4Å; I51-F100 HydrophobicContact CB-CB 4.22Å; I51-F100 HydrophobicContact CD1-CB 4.44Å; I51-F100 PolarHBondContact N-O 2.89Å; I51-F100 PolarHBondContact O-N 2.73Å; I51-L102 HydrophobicContact CD1-CD1 4.22Å
52D88.9Confident87.6Confident63 Ų6371.5 Ų71.534%0.33738%0.384SS..EExtended strand (participates in β ladder)trans-91.1120.9-179.7-167.1-19000110.5S31 T54 F99S31-D52 PolarHBondContact O-N 2.79Å; D52-T54 VanDerWaalsContact OD1-CB 3.26Å; D52-T54 WeakPolarHBondContact OD1-CB 3.48Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.46Å; D52-T54 PolarHBondContact OD1-N 3.09Å; D52-T54 PolarHBondContact OD1-OG1 2.81Å; D52-F99 HydrophobicContact CB-CD1 4.14Å; D52-F99 HydrophobicContact CB-CE1 3.91Å
53I87.1Confident87.2Confident3 Ų371.3 Ų71.32%0.01538%0.377CS..  trans-119.120.8175.260.3163.4000111.3I51 I64 I67 K97 A98 F100I51-I53 HydrophobicContact CG2-CG2 4.44Å; I53-I64 HydrophobicContact CB-CG2 4.2Å; I53-I64 WeakPolarHBondContact O-CG2 3.42Å; I53-I67 HydrophobicContact CG2-CG2 3.79Å; I53-K97 WeakPolarHBondContact CD1-O 3.3Å; I53-A98 WeakPolarHBondContact CG1-O 3.41Å; I53-A98 PolarHBondContact N-O 3.49Å; I53-F100 HydrophobicContact CD1-CD2 4.18Å; I53-F100 HydrophobicContact CD1-CE2 3.85Å; I53-F100 HydrophobicContact CG2-CD2 4.27Å; I53-F100 HydrophobicContact CG2-CE2 4.35Å
54T82.9Confident86.7Confident43 Ų4366.1 Ų66.126%0.26435%0.348SS..  trans-65.8134.2178.253.70000111.7D52 S56 A98 F99D52-T54 VanDerWaalsContact OD1-CB 3.26Å; D52-T54 WeakPolarHBondContact OD1-CB 3.48Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.46Å; D52-T54 PolarHBondContact OD1-N 3.09Å; D52-T54 PolarHBondContact OD1-OG1 2.81Å; T54-S56 PolarHBondContact O-N 3.47Å; T54-S56 VanDerWaalsContact O-N 3.13Å; T54-A98 HydrophobicContact CG2-CB 3.49Å; T54-A98 VanDerWaalsContact CG2-CB 3.49Å; T54-A98 PolarHBondContact N-O 3.19Å; T54-F99 HydrophobicContact CG2-CE2 4.42Å; T54-F99 HydrophobicContact CG2-CZ 4.11Å
55P76.8Confident86.4Confident114 Ų11465.4 Ų65.474%0.7435%0.345SS*.  trans-57.6119.2167-22.333.1000109.9I64P55-I64 HydrophobicContact CB-CD1 4.2Å; P55-I64 HydrophobicContact CG-CD1 4.33Å
56S72Confident86Confident48 Ų4867.4 Ų67.434%0.33635%0.354SS..  trans-135.9157.617871.30000110.1T54 K58 M59T54-S56 PolarHBondContact O-N 3.47Å; T54-S56 VanDerWaalsContact O-N 3.13Å; S56-K58 PolarHBondContact O-N 3.43Å; S56-K58 PolarHBondContact OG-N 2.92Å; S56-M59 PolarHBondContact O-N 2.75Å
57D70.5Confident85.6Confident184 Ų18467.5 Ų67.598%0.98436%0.357SS*.THydrogen-bonded Turntrans-58.8-12.5176.3-61.7-32.4000113.3
58K70.3Confident85.4Confident192 Ų19270.8 Ų70.884%0.83537%0.367SS*.THydrogen-bonded Turntrans-94.1-11-179-62.2-177.2-179.1177.80113.9S56S56-K58 PolarHBondContact O-N 3.43Å; S56-K58 PolarHBondContact OG-N 2.92Å
59M77Confident85.1Confident55 Ų5575.2 Ų75.227%0.27139%0.388SS..SBendtrans-133.9128-176.3-73.6178.416900110.7S56 I64 I67S56-M59 PolarHBondContact O-N 2.75Å; M59-I64 HydrophobicContact CB-CD1 4.4Å; M59-I64 HydrophobicContact CB-CG1 4.11Å; M59-I67 HydrophobicContact CE-CD1 4.02Å; M59-I67 HydrophobicContact SD-CD1 4.15Å
60T83.4Confident84.9Confident70 Ų7076 Ų7643%0.42940%0.399SS..  trans-70.1153.6173.963.80000110.7Q62 E63 I64T60-Q62 PolarHBondContact O-N 2.62Å; T60-Q62 VanDerWaalsContact O-N 3.12Å; T60-E63 WeakPolarHBondContact CB-OE2 3.4Å; T60-E63 PolarHBondContact N-OE2 2.84Å; T60-E63 PolarHBondContact O-N 3.47Å; T60-E63 VanDerWaalsContact O-N 3.14Å; T60-E63 VanDerWaalsContact OG1-CD 3.31Å; T60-E63 VanDerWaalsContact OG1-CG 3.26Å; T60-E63 WeakPolarHBondContact OG1-CG 3.37Å; T60-E63 PolarHBondContact OG1-N 3.31Å; T60-E63 PolarHBondContact OG1-OE2 3.4Å; T60-I64 WeakPolarHBondContact O-CG1 3.44Å; T60-I64 PolarHBondContact O-N 2.88Å; T60-I64 VanDerWaalsContact O-N 3.16Å
61P85.7Confident84.9Confident110 Ų11075.5 Ų75.571%0.71440%0.397SS*.Hα-helixtrans-55.6-30.1174.2-26.635.1000113.6Q65P61-Q65 PolarHBondContact O-N 3.24Å
62Q87.3Confident85Confident137 Ų13777.9 Ų77.964%0.6441%0.411SS*.Hα-helixtrans-70.1-45.8177.4-173.7175.6-17.400111.8T60 I64 Q65 E66T60-Q62 PolarHBondContact O-N 2.62Å; T60-Q62 VanDerWaalsContact O-N 3.12Å; Q62-I64 VanDerWaalsContact C-N 3.28Å; Q62-I64 PolarHBondContact O-N 2.8Å; Q62-Q65 WeakPolarHBondContact O-CB 3.29Å; Q62-Q65 PolarHBondContact O-N 2.91Å; Q62-Q65 VanDerWaalsContact O-N 3.16Å; Q62-E66 PolarHBondContact NE2-OE1 2.89Å; Q62-E66 WeakPolarHBondContact O-CG 3.42Å; Q62-E66 PolarHBondContact O-N 2.91Å
63E86.2Confident85.3Confident83 Ų8380.7 Ų80.739%0.38842%0.421SS..Hα-helixtrans-60.7-38175.9-73.2162.9141.200111.9T60 Q65 E66 I67T60-E63 WeakPolarHBondContact CB-OE2 3.4Å; T60-E63 PolarHBondContact N-OE2 2.84Å; T60-E63 PolarHBondContact O-N 3.47Å; T60-E63 VanDerWaalsContact O-N 3.14Å; T60-E63 VanDerWaalsContact OG1-CD 3.31Å; T60-E63 VanDerWaalsContact OG1-CG 3.26Å; T60-E63 WeakPolarHBondContact OG1-CG 3.37Å; T60-E63 PolarHBondContact OG1-N 3.31Å; T60-E63 PolarHBondContact OG1-OE2 3.4Å; E63-Q65 VanDerWaalsContact C-N 3.34Å; E63-Q65 PolarHBondContact O-N 2.85Å; E63-E66 PolarHBondContact O-N 3Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.47Å; E63-I67 PolarHBondContact O-N 2.82Å
64I86.1Confident85.7Confident26 Ų2681 Ų8113%0.13342%0.422CS..Hα-helixtrans-63.1-43.4176.4-64.9167.9000110.8I53 P55 M59 T60 Q62 I67 R68I53-I64 HydrophobicContact CB-CG2 4.2Å; I53-I64 WeakPolarHBondContact O-CG2 3.42Å; P55-I64 HydrophobicContact CB-CD1 4.2Å; P55-I64 HydrophobicContact CG-CD1 4.33Å; M59-I64 HydrophobicContact CB-CD1 4.4Å; M59-I64 HydrophobicContact CB-CG1 4.11Å; T60-I64 WeakPolarHBondContact O-CG1 3.44Å; T60-I64 PolarHBondContact O-N 2.88Å; T60-I64 VanDerWaalsContact O-N 3.16Å; Q62-I64 VanDerWaalsContact C-N 3.28Å; Q62-I64 PolarHBondContact O-N 2.8Å; I64-I67 PolarHBondContact O-N 2.89Å; I64-R68 WeakPolarHBondContact O-CB 3.31Å; I64-R68 PolarHBondContact O-N 2.89Å
65Q89.3Confident86.3Confident91 Ų9179.4 Ų79.443%0.42541%0.412SS..Hα-helixtrans-64.3-41.4176.7-17758.532.100111.4P61 Q62 E63 R68 E69P61-Q65 PolarHBondContact O-N 3.24Å; Q62-Q65 WeakPolarHBondContact O-CB 3.29Å; Q62-Q65 PolarHBondContact O-N 2.91Å; Q62-Q65 VanDerWaalsContact O-N 3.16Å; E63-Q65 VanDerWaalsContact C-N 3.34Å; E63-Q65 PolarHBondContact O-N 2.85Å; Q65-R68 WeakPolarHBondContact O-CB 3.22Å; Q65-R68 PolarHBondContact O-N 3.22Å; Q65-E69 PolarHBondContact NE2-OE1 3.25Å; Q65-E69 WeakPolarHBondContact O-CG 3.32Å; Q65-E69 PolarHBondContact O-N 2.98Å
66E89.3Confident87.3Confident102 Ų10277.6 Ų77.648%0.47740%0.396SS..Hα-helixtrans-62-43.9175.7-71.5171.3-169.600112Q62 E63 R68 E69 A70Q62-E66 PolarHBondContact NE2-OE1 2.89Å; Q62-E66 WeakPolarHBondContact O-CG 3.42Å; Q62-E66 PolarHBondContact O-N 2.91Å; E63-E66 PolarHBondContact O-N 3Å; E66-R68 VanDerWaalsContact C-N 3.34Å; E66-R68 PolarHBondContact O-N 3.05Å; E66-E69 PolarHBondContact O-N 3.2Å; E66-A70 VanDerWaalsContact O-CB 3.31Å; E66-A70 WeakPolarHBondContact O-CB 3.45Å; E66-A70 PolarHBondContact O-N 2.91Å
67I89.3Confident88.5Confident37 Ų3775.6 Ų75.619%0.1938%0.381CS..Hα-helixtrans-61.9-42.7175.1-68165.2000110.7I51 I53 M59 E63 I64 A70 T71I51-I67 HydrophobicContact CG2-CG2 3.98Å; I53-I67 HydrophobicContact CG2-CG2 3.79Å; M59-I67 HydrophobicContact CE-CD1 4.02Å; M59-I67 HydrophobicContact SD-CD1 4.15Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.47Å; E63-I67 PolarHBondContact O-N 2.82Å; I64-I67 PolarHBondContact O-N 2.89Å; I67-A70 PolarHBondContact O-N 2.9Å; I67-T71 WeakPolarHBondContact O-CB 3.33Å; I67-T71 PolarHBondContact O-N 3.46Å; I67-T71 PolarHBondContact O-OG1 3.03Å
68R91.5Very high89.7Confident81 Ų8167 Ų6731%0.30634%0.335SS..Hα-helixtrans-61.8-48.9178.1-170.5174-148.5162.17.1111.3I64 Q65 E66 A70 T71 V72 E95 F100I64-R68 WeakPolarHBondContact O-CB 3.31Å; I64-R68 PolarHBondContact O-N 2.89Å; Q65-R68 WeakPolarHBondContact O-CB 3.22Å; Q65-R68 PolarHBondContact O-N 3.22Å; E66-R68 VanDerWaalsContact C-N 3.34Å; E66-R68 PolarHBondContact O-N 3.05Å; R68-A70 VanDerWaalsContact C-N 3.35Å; R68-A70 PolarHBondContact O-N 3.32Å; R68-T71 PolarHBondContact O-N 3.3Å; R68-V72 WeakPolarHBondContact O-CG2 3.32Å; R68-V72 PolarHBondContact O-N 3.44Å; R68-E95 IonicContact CZ-OE1 3.71Å; R68-E95 VanDerWaalsContact CZ-OE1 3.29Å; R68-E95 IonicContact NE-OE1 3.1Å; R68-E95 PolarHBondContact NE-OE1 2.84Å; R68-E95 IonicContact NH2-OE1 3.87Å; R68-E95 PolarHBondContact NH2-OE1 2.84Å; R68-F100 HydrophobicContact CG-CE2 3.92Å; R68-F100 HydrophobicContact CG-CZ 3.89Å
69E92.3Very high91Very high92 Ų9265.3 Ų65.343%0.4332%0.324SS..Hα-helixtrans-62.9-40.4177.9-73176.9-163.200112.4Q65 E66 K73Q65-E69 PolarHBondContact NE2-OE1 3.25Å; Q65-E69 WeakPolarHBondContact O-CG 3.32Å; Q65-E69 PolarHBondContact O-N 2.98Å; E66-E69 PolarHBondContact O-N 3.2Å; E69-K73 VanDerWaalsContact O-CG 3.29Å; E69-K73 WeakPolarHBondContact O-CG 3.34Å; E69-K73 PolarHBondContact O-N 2.95Å
70A91.4Very high91.9Very high42 Ų4267.6 Ų67.635%0.34733%0.332SS..Hα-helixtrans-62.7-43.1174.400000111.6E66 I67 R68 K73 E74E66-A70 VanDerWaalsContact O-CB 3.31Å; E66-A70 WeakPolarHBondContact O-CB 3.45Å; E66-A70 PolarHBondContact O-N 2.91Å; I67-A70 PolarHBondContact O-N 2.9Å; R68-A70 VanDerWaalsContact C-N 3.35Å; R68-A70 PolarHBondContact O-N 3.32Å; A70-K73 PolarHBondContact O-N 2.96Å; A70-E74 PolarHBondContact O-N 3.48Å
71T93.6Very high92.5Very high5 Ų564.3 Ų64.33%0.03131%0.312CS..Hα-helixtrans-65.2-42.3178.9-54.90000111.6I51 I67 R68 K73 E74 I75 F100I51-T71 HydrophobicContact CD1-CG2 3.57Å; I67-T71 WeakPolarHBondContact O-CB 3.33Å; I67-T71 PolarHBondContact O-N 3.46Å; I67-T71 PolarHBondContact O-OG1 3.03Å; R68-T71 PolarHBondContact O-N 3.3Å; T71-K73 PolarHBondContact O-N 3.3Å; T71-E74 WeakPolarHBondContact O-CB 3.31Å; T71-E74 PolarHBondContact O-N 2.72Å; T71-I75 HydrophobicContact CG2-CD1 4.09Å; T71-I75 WeakPolarHBondContact O-CD1 3.2Å; T71-I75 VanDerWaalsContact O-CG1 3.28Å; T71-I75 WeakPolarHBondContact O-CG1 3.49Å; T71-I75 PolarHBondContact O-N 3.03Å; T71-F100 HydrophobicContact CG2-CB 3.98Å; T71-F100 HydrophobicContact CG2-CD1 3.78Å; T71-F100 HydrophobicContact CG2-CD2 3.8Å; T71-F100 HydrophobicContact CG2-CE1 4.16Å; T71-F100 HydrophobicContact CG2-CE2 4.16Å; T71-F100 HydrophobicContact CG2-CG 3.59Å; T71-F100 HydrophobicContact CG2-CZ 4.34Å
72V94.4Very high92.9Very high57 Ų5762.5 Ų62.535%0.34530%0.301SS..Hα-helixtrans-62.4-43175.5172.20000111R68 E74 I75 D76 F100R68-V72 WeakPolarHBondContact O-CG2 3.32Å; R68-V72 PolarHBondContact O-N 3.44Å; V72-E74 PolarHBondContact O-N 3.34Å; V72-I75 PolarHBondContact O-N 2.66Å; V72-D76 PolarHBondContact O-N 2.92Å; V72-F100 HydrophobicContact CG2-CE1 4.49Å; V72-F100 HydrophobicContact CG2-CZ 4.31Å
73K94.5Very high93.2Very high122 Ų12259 Ų5953%0.5330%0.302SS..Hα-helixtrans-61.9-41.6174.6-72.7170.1-173.7166.90112.3E69 A70 T71 D76 I77E69-K73 VanDerWaalsContact O-CG 3.29Å; E69-K73 WeakPolarHBondContact O-CG 3.34Å; E69-K73 PolarHBondContact O-N 2.95Å; A70-K73 PolarHBondContact O-N 2.96Å; T71-K73 PolarHBondContact O-N 3.3Å; K73-D76 PolarHBondContact O-N 2.98Å; K73-I77 WeakPolarHBondContact O-CG1 3.43Å; K73-I77 PolarHBondContact O-N 3.33Å
74E95.6Very high93.6Very high10 Ų1058.5 Ų58.55%0.04730%0.3CS..Hα-helixtrans-59.1-48.3175-178179.1179.600110.7K49 A70 T71 V72 D76 I77 L78 F169K49-E74 IonicContact NZ-OE1 3.51Å; K49-E74 PolarHBondContact NZ-OE1 3.11Å; K49-E74 IonicContact NZ-OE2 3.45Å; K49-E74 PolarHBondContact NZ-OE2 3.02Å; A70-E74 PolarHBondContact O-N 3.48Å; T71-E74 WeakPolarHBondContact O-CB 3.31Å; T71-E74 PolarHBondContact O-N 2.72Å; V72-E74 PolarHBondContact O-N 3.34Å; E74-D76 VanDerWaalsContact C-N 3.35Å; E74-D76 PolarHBondContact O-N 3.43Å; E74-I77 PolarHBondContact O-N 3.09Å; E74-L78 HydrophobicContact CG-CD1 3.91Å; E74-L78 HydrophobicContact CG-CG 4.5Å; E74-L78 WeakPolarHBondContact O-CB 3.28Å; E74-L78 VanDerWaalsContact O-CG 3.31Å; E74-L78 WeakPolarHBondContact O-CG 3.37Å; E74-L78 PolarHBondContact O-N 3.31Å; E74-F169 HydrophobicContact CG-CB 4.19Å
75I95.9Very high94Very high9 Ų964 Ų645%0.04633%0.325CS..Hα-helixtrans-59.2-44.9177.1-66.6159.1000111.2T71 V72 I77 L78 R79 L90 C93 F100 L102T71-I75 HydrophobicContact CG2-CD1 4.09Å; T71-I75 WeakPolarHBondContact O-CD1 3.2Å; T71-I75 VanDerWaalsContact O-CG1 3.28Å; T71-I75 WeakPolarHBondContact O-CG1 3.49Å; T71-I75 PolarHBondContact O-N 3.03Å; V72-I75 PolarHBondContact O-N 2.66Å; I75-I77 VanDerWaalsContact C-N 3.34Å; I75-I77 PolarHBondContact O-N 2.97Å; I75-L78 PolarHBondContact O-N 3.13Å; I75-R79 HydrophobicContact CG2-CG 4.44Å; I75-R79 WeakPolarHBondContact O-CB 3.45Å; I75-R79 WeakPolarHBondContact O-CG 3.5Å; I75-R79 PolarHBondContact O-N 3.3Å; I75-L90 HydrophobicContact CG2-CD2 4.18Å; I75-C93 VanDerWaalsContact CD1-SG 3.58Å; I75-F100 HydrophobicContact CD1-CD1 4.03Å; I75-F100 HydrophobicContact CD1-CE1 4.14Å; I75-L102 HydrophobicContact CD1-CD2 3.83Å; I75-L102 HydrophobicContact CG1-CD1 4.28Å; I75-L102 HydrophobicContact CG1-CD2 3.62Å
76D96.9Very high94.4Very high76 Ų7660.7 Ų60.741%0.40631%0.31SS..Hα-helixtrans-63.5-39.4-179.6-78.4-14000112.3V72 K73 E74 K80V72-D76 PolarHBondContact O-N 2.92Å; K73-D76 PolarHBondContact O-N 2.98Å; E74-D76 VanDerWaalsContact C-N 3.35Å; E74-D76 PolarHBondContact O-N 3.43Å; D76-K80 WeakPolarHBondContact O-CG 3.47Å; D76-K80 PolarHBondContact O-N 2.9Å
77I97.6Very high94.8Very high7 Ų755.8 Ų55.84%0.03629%0.287CS..Hα-helixtrans-67.6-48.2174.5-68.7173.7000110.2K73 E74 I75 R79 K80 V81 I146 F169 A172K73-I77 WeakPolarHBondContact O-CG1 3.43Å; K73-I77 PolarHBondContact O-N 3.33Å; E74-I77 PolarHBondContact O-N 3.09Å; I75-I77 VanDerWaalsContact C-N 3.34Å; I75-I77 PolarHBondContact O-N 2.97Å; I77-R79 PolarHBondContact O-N 2.81Å; I77-K80 WeakPolarHBondContact O-CB 3.31Å; I77-K80 PolarHBondContact O-N 3.21Å; I77-V81 HydrophobicContact CG2-CG1 4.34Å; I77-V81 WeakPolarHBondContact O-CG1 3.44Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.22Å; I77-I146 HydrophobicContact CG2-CD1 4.46Å; I77-I146 HydrophobicContact CG2-CG2 4.19Å; I77-F169 HydrophobicContact CG2-CB 4.32Å; I77-F169 HydrophobicContact CG2-CD1 3.58Å; I77-F169 HydrophobicContact CG2-CE1 4.26Å; I77-F169 HydrophobicContact CG2-CG 4.23Å; I77-A172 HydrophobicContact CD1-CB 3.69Å; I77-A172 WeakPolarHBondContact CD1-O 3.46Å; I77-A172 HydrophobicContact CG2-CB 4.29Å
78L97.1Very high95.2Very high2 Ų254.2 Ų54.21%0.0128%0.279CS..Hα-helixtrans-55.6-39177.8-76.3167.9000112.2E74 I75 C82 I88 L90 F104 F169E74-L78 HydrophobicContact CG-CD1 3.91Å; E74-L78 HydrophobicContact CG-CG 4.5Å; E74-L78 WeakPolarHBondContact O-CB 3.28Å; E74-L78 VanDerWaalsContact O-CG 3.31Å; E74-L78 WeakPolarHBondContact O-CG 3.37Å; E74-L78 PolarHBondContact O-N 3.31Å; I75-L78 PolarHBondContact O-N 3.13Å; L78-C82 PolarHBondContact O-N 2.91Å; L78-C82 VanDerWaalsContact O-N 3.15Å; L78-I88 HydrophobicContact CD2-CG2 4.21Å; L78-L90 HydrophobicContact CB-CB 4.19Å; L78-L90 HydrophobicContact CB-CD2 4.05Å; L78-L90 HydrophobicContact CD1-CD2 4.34Å; L78-F104 HydrophobicContact CD1-CE1 3.77Å; L78-F104 HydrophobicContact CD1-CZ 3.84Å; L78-F104 HydrophobicContact CD2-CE1 4.21Å; L78-F169 HydrophobicContact CD2-CB 4.43Å; L78-F169 HydrophobicContact CD2-CD2 3.62Å; L78-F169 HydrophobicContact CD2-CE2 4.18Å; L78-F169 HydrophobicContact CD2-CG 4.19Å; L78-F169 HydrophobicContact CG-CB 4.39Å; L78-F169 HydrophobicContact CG-CD2 4.45Å
79R96.3Very high95.4Very high157 Ų15751.4 Ų51.459%0.59227%0.269SS*.Hα-helixtrans-65.7-39.1174.4-75.6174.1173169.9-1.6112.9I75 I77 C82I75-R79 HydrophobicContact CG2-CG 4.44Å; I75-R79 WeakPolarHBondContact O-CB 3.45Å; I75-R79 WeakPolarHBondContact O-CG 3.5Å; I75-R79 PolarHBondContact O-N 3.3Å; I77-R79 PolarHBondContact O-N 2.81Å; R79-C82 WeakPolarHBondContact O-CB 3.33Å
80K96Very high95.6Very high104 Ų10448.1 Ų48.145%0.45225%0.254SS..Hα-helixtrans-68.4-34178.8-73.9168.9-176.5170.80113.1D76 I77D76-K80 WeakPolarHBondContact O-CG 3.47Å; D76-K80 PolarHBondContact O-N 2.9Å; I77-K80 WeakPolarHBondContact O-CB 3.31Å; I77-K80 PolarHBondContact O-N 3.21Å
81V96.3Very high95.8Very high0 Ų050.3 Ų50.30%026%0.256CS..SBendtrans-93.5-1.1-177.6-52.20000113.3I77 Q84 I87 F140 L141 I146 F169I77-V81 HydrophobicContact CG2-CG1 4.34Å; I77-V81 WeakPolarHBondContact O-CG1 3.44Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.22Å; V81-Q84 WeakPolarHBondContact O-CB 3.37Å; V81-Q84 PolarHBondContact O-N 3.11Å; V81-I87 HydrophobicContact CB-CD1 3.88Å; V81-I87 HydrophobicContact CG2-CD1 4.21Å; V81-I87 HydrophobicContact CG2-CG2 3.78Å; V81-F140 HydrophobicContact CB-CE1 3.98Å; V81-F140 HydrophobicContact CG1-CE1 3.96Å; V81-L141 HydrophobicContact CB-CD2 4.41Å; V81-L141 HydrophobicContact CG1-CD2 3.54Å; V81-I146 HydrophobicContact CG1-CD1 3.94Å; V81-F169 HydrophobicContact CG2-CZ 4.38Å
82C94.4Very high95.9Very high73 Ų7352.2 Ų52.249%0.49327%0.266SS..THydrogen-bonded Turntrans-55.6140.1178.2-173.90000111.4L78 R79L78-C82 PolarHBondContact O-N 2.91Å; L78-C82 VanDerWaalsContact O-N 3.15Å; R79-C82 WeakPolarHBondContact O-CB 3.33Å
83G92.7Very high95.9Very high64 Ų6451.3 Ų51.366%0.6626%0.262SS*.THydrogen-bonded Turntrans92.2-12.1-177.300000114.9
84Q95.8Very high95.9Very high72 Ų7246.8 Ų46.834%0.33624%0.242SC..  trans-73.6127.3174.2-73.2-62.8-30.200112.2V81 N86 I87 Q89 F140V81-Q84 WeakPolarHBondContact O-CB 3.37Å; V81-Q84 PolarHBondContact O-N 3.11Å; Q84-N86 PolarHBondContact O-N 2.81Å; Q84-I87 HydrophobicContact CB-CB 4.15Å; Q84-I87 HydrophobicContact CB-CD1 3.76Å; Q84-I87 HydrophobicContact CB-CG1 3.97Å; Q84-I87 HydrophobicContact CG-CD1 4.15Å; Q84-I87 PolarHBondContact O-N 2.83Å; Q84-Q89 PolarHBondContact O-NE2 3.28Å; Q84-F140 HydrophobicContact CG-CD1 3.68Å; Q84-F140 HydrophobicContact CG-CD2 4.2Å; Q84-F140 HydrophobicContact CG-CE1 3.44Å; Q84-F140 VanDerWaalsContact CG-CE1 3.44Å; Q84-F140 HydrophobicContact CG-CE2 3.99Å; Q84-F140 HydrophobicContact CG-CG 4.06Å; Q84-F140 HydrophobicContact CG-CZ 3.59Å
85E94.1Very high95.7Very high140 Ų14050.5 Ų50.565%0.65426%0.259SS*.THydrogen-bonded Turntrans-57.9-45.3-171.5-174.4177.4-17900112.9I87 K165E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 2.81Å; E85-K165 WeakPolarHBondContact O-CD 3.48Å; E85-K165 WeakPolarHBondContact O-CE 3.04Å; E85-K165 PolarHBondContact O-NZ 3.43Å
86N97.4Very high95.3Very high22 Ų2250.6 Ų50.612%0.11826%0.26CS..THydrogen-bonded Turntrans-93.617.8-173.9-66.2-33.7000113.4Q84 A133 V137 I164 K165 L166Q84-N86 PolarHBondContact O-N 2.81Å; N86-A133 WeakPolarHBondContact ND2-CB 3.45Å; N86-V137 HydrophobicContact CB-CG2 3.34Å; N86-I164 PolarHBondContact OD1-O 3.27Å; N86-K165 CarbonylContact O-C 3.58Å; N86-K165 WeakPolarHBondContact O-CA 3.3Å; N86-L166 PolarHBondContact O-N 3.29Å
87I98Very high94.6Very high0 Ų051.3 Ų51.30%026%0.26CS..BIsolated β-bridgetrans-115.2143.8174.2-59.3179.5000109.1V81 Q84 E85 Q89 V137 F140 L141 F169V81-I87 HydrophobicContact CB-CD1 3.88Å; V81-I87 HydrophobicContact CG2-CD1 4.21Å; V81-I87 HydrophobicContact CG2-CG2 3.78Å; Q84-I87 HydrophobicContact CB-CB 4.15Å; Q84-I87 HydrophobicContact CB-CD1 3.76Å; Q84-I87 HydrophobicContact CB-CG1 3.97Å; Q84-I87 HydrophobicContact CG-CD1 4.15Å; Q84-I87 PolarHBondContact O-N 2.83Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 2.81Å; I87-Q89 PolarHBondContact O-NE2 2.96Å; I87-V137 HydrophobicContact CD1-CG1 3.83Å; I87-V137 HydrophobicContact CG1-CB 4.48Å; I87-V137 HydrophobicContact CG1-CG1 3.66Å; I87-V137 HydrophobicContact CG1-CG2 3.98Å; I87-F140 HydrophobicContact CD1-CD1 4.09Å; I87-F140 HydrophobicContact CD1-CE1 4.24Å; I87-L141 HydrophobicContact CD1-CD2 4.12Å; I87-F169 HydrophobicContact CD1-CZ 4.4Å; I87-F169 HydrophobicContact CG2-CE2 3.67Å; I87-F169 HydrophobicContact CG2-CZ 3.66Å
88I96.6Very high94Very high4 Ų452.2 Ų52.22%0.02127%0.268CS..  trans-62.1135.9175-16463.8000110.8L78 F104 D105 M107 K165 L166L78-I88 HydrophobicContact CD2-CG2 4.21Å; I88-F104 HydrophobicContact CD1-CB 4.36Å; I88-F104 HydrophobicContact CG1-CB 3.95Å; I88-F104 HydrophobicContact CG1-CD1 3.82Å; I88-F104 HydrophobicContact CG1-CG 4.15Å; I88-F104 HydrophobicContact CG2-CD1 4.15Å; I88-F104 HydrophobicContact CG2-CE1 4.26Å; I88-D105 HydrophobicContact CD1-CB 4.25Å; I88-M107 HydrophobicContact CD1-CE 3.85Å; I88-M107 HydrophobicContact CD1-CG 4.04Å; I88-K165 HydrophobicContact CD1-CB 4.45Å; I88-L166 WeakPolarHBondContact CG2-O 3.28Å; I88-L166 PolarHBondContact N-O 3.04Å
89Q95.8Very high93.7Very high22 Ų2255.2 Ų55.210%0.10328%0.281CS..  trans-96.5122.5-176.9-53.8-61.9-56.500110.7Q84 I87 K91 F104 D105Q84-Q89 PolarHBondContact O-NE2 3.28Å; I87-Q89 PolarHBondContact O-NE2 2.96Å; Q89-K91 PolarHBondContact O-N 2.81Å; Q89-F104 WeakPolarHBondContact O-CA 3.19Å; Q89-D105 VanDerWaalsContact CB-OD2 3.29Å; Q89-D105 WeakPolarHBondContact CB-OD2 3.34Å; Q89-D105 WeakPolarHBondContact CG-OD2 3.39Å; Q89-D105 PolarHBondContact O-N 3.45Å
90L96.6Very high93.6Very high22 Ų2247.7 Ų47.712%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-76.6111.1168.4-177.968.1000108.8I75 L78 D92 L102 F104I75-L90 HydrophobicContact CG2-CD2 4.18Å; L78-L90 HydrophobicContact CB-CB 4.19Å; L78-L90 HydrophobicContact CB-CD2 4.05Å; L78-L90 HydrophobicContact CD1-CD2 4.34Å; L90-D92 WeakPolarHBondContact CD1-O 3.39Å; L90-L102 HydrophobicContact CD1-CB 3.85Å; L90-L102 HydrophobicContact CD1-CD2 4.18Å; L90-F104 HydrophobicContact CB-CD1 4.32Å; L90-F104 HydrophobicContact CB-CE1 4.02Å; L90-F104 HydrophobicContact CD1-CD1 4.22Å; L90-F104 HydrophobicContact CD1-CE1 3.71Å; L90-F104 HydrophobicContact CD1-CE2 4.47Å; L90-F104 HydrophobicContact CD1-CZ 3.86Å; L90-F104 HydrophobicContact CG-CE1 4.47Å
91K95.9Very high93.6Very high89 Ų8942.9 Ų42.939%0.38723%0.232SC..EExtended strand (participates in β ladder)trans-83.4-53.8-179.1-61.6-58.3-178.2-169.70112Y46 Q89 V103 D105Y46-K91 HydrophobicContact CD1-CG 4.13Å; Y46-K91 HydrophobicContact CE1-CG 3.91Å; Q89-K91 PolarHBondContact O-N 2.81Å; K91-V103 HydrophobicContact CB-CG1 4.43Å; K91-V103 PolarHBondContact N-O 3.02Å; K91-D105 WeakPolarHBondContact CE-OD1 3.16Å; K91-D105 VanDerWaalsContact CE-OD2 3.29Å; K91-D105 WeakPolarHBondContact CE-OD2 3.35Å; K91-D105 IonicContact NZ-OD1 3.48Å; K91-D105 PolarHBondContact NZ-OD1 2.85Å; K91-D105 VanDerWaalsContact NZ-OD1 3.12Å; K91-D105 IonicContact NZ-OD2 3.21Å; K91-D105 PolarHBondContact NZ-OD2 3.27Å
92D95.4Very high93.6Very high44 Ų4442.9 Ų42.924%0.23523%0.232CC..EExtended strand (participates in β ladder)trans-138.9155.3179.9-75.3-40.9000110.2K19 Y20 L90 Y94 V103K19-D92 IonicContact NZ-OD1 3.97Å; K19-D92 IonicContact NZ-OD2 2.63Å; K19-D92 PolarHBondContact NZ-OD2 2.69Å; Y20-D92 HydrophobicContact CE2-CB 4.38Å; Y20-D92 PolarHBondContact OH-OD2 3.36Å; L90-D92 WeakPolarHBondContact CD1-O 3.39Å; D92-Y94 HydrophobicContact CB-CE2 3.7Å; D92-V103 HydrophobicContact CB-CB 4.14Å; D92-V103 HydrophobicContact CB-CG2 4.2Å; D92-V103 PolarHBondContact O-N 3.07Å
93C95.3Very high93.7Very high38 Ų3839.4 Ų39.426%0.25721%0.209SC..EExtended strand (participates in β ladder)trans-139.7128.5177173.70000108.6I75 F101 L102I75-C93 VanDerWaalsContact CD1-SG 3.58Å; C93-F101 CarbonylContact C-O 3.56Å; C93-F101 WeakPolarHBondContact CA-O 3.17Å; C93-L102 HydrophobicContact CB-CD2 3.99Å; C93-L102 WeakPolarHBondContact SG-CD2 3.23Å
94Y94.4Very high93.9Very high27 Ų2737.1 Ų37.111%0.10618%0.181CC..EExtended strand (participates in β ladder)trans-124.2134.9175.1-51.9-88.2000109.7G12 E15 F16 K19 Y20 D92 F101 V103G12-Y94 WeakPolarHBondContact O-CB 3.44Å; E15-Y94 HydrophobicContact CB-CD1 3.71Å; E15-Y94 HydrophobicContact CB-CE1 3.79Å; F16-Y94 HydrophobicContact CB-CD2 3.79Å; F16-Y94 HydrophobicContact CB-CE2 4.23Å; F16-Y94 HydrophobicContact CB-CG 3.97Å; F16-Y94 AromaticContact CD2-CD2 3.91Å; F16-Y94 HydrophobicContact CD2-CD2 3.91Å; F16-Y94 HydrophobicContact CD2-CE2 4.03Å; F16-Y94 HydrophobicContact CG-CD2 4.34Å; K19-Y94 WeakPolarHBondContact CD-OH 3.3Å; Y20-Y94 HydrophobicContact CD2-CE2 4.14Å; Y20-Y94 AromaticContact CE2-CE2 3.97Å; Y20-Y94 HydrophobicContact CE2-CE2 3.97Å; D92-Y94 HydrophobicContact CB-CE2 3.7Å; Y94-F101 HydrophobicContact CD2-CB 4.22Å; Y94-F101 PolarHBondContact N-O 3.43Å; Y94-F101 PolarHBondContact O-N 3.32Å; Y94-V103 HydrophobicContact CE2-CG2 4.28Å
95E91.1Very high93.9Very high89 Ų8935.6 Ų35.642%0.41618%0.175SC..EExtended strand (participates in β ladder)trans-116.3135.8177.3-178.7176.9179.700110G12 R68 F100G12-E95 WeakPolarHBondContact CA-O 3.28Å; R68-E95 IonicContact CZ-OE1 3.71Å; R68-E95 VanDerWaalsContact CZ-OE1 3.29Å; R68-E95 IonicContact NE-OE1 3.1Å; R68-E95 PolarHBondContact NE-OE1 2.84Å; R68-E95 IonicContact NH2-OE1 3.87Å; R68-E95 PolarHBondContact NH2-OE1 2.84Å; E95-F100 HydrophobicContact CB-CD1 4.02Å; E95-F100 HydrophobicContact CB-CE1 3.84Å; E95-F100 VanDerWaalsContact CD-CZ 3.45Å; E95-F100 HydrophobicContact CG-CD1 3.97Å; E95-F100 HydrophobicContact CG-CE1 3.47Å; E95-F100 VanDerWaalsContact CG-CE1 3.47Å; E95-F100 HydrophobicContact CG-CE2 4.46Å; E95-F100 HydrophobicContact CG-CZ 3.74Å; E95-F100 WeakPolarHBondContact OE1-CZ 3.5Å
96S87.6Confident93.9Very high10 Ų1030.5 Ų30.57%0.0715%0.152CC..  trans-129.1172.8169.565.80000109D9 A98 F99D9-S96 WeakPolarHBondContact O-CB 3.42Å; S96-A98 PolarHBondContact O-N 2.9Å; S96-F99 PolarHBondContact N-O 3.14Å; S96-F99 WeakPolarHBondContact OG-CA 3.48Å; S96-F99 PolarHBondContact OG-N 3.36Å; S96-F99 PolarHBondContact OG-O 3.18Å
97K81.8Confident93.8Very high92 Ų9230.7 Ų30.740%0.415%0.152SC..SBendtrans-65.1-20.1175.4-62.4-160.5-162.6172.80113.4E6 D9 I53E6-K97 IonicContact OE2-NZ 2.71Å; E6-K97 PolarHBondContact OE2-NZ 2.59Å; D9-K97 WeakPolarHBondContact OD1-CD 3.43Å; D9-K97 WeakPolarHBondContact OD1-CE 3.41Å; D9-K97 WeakPolarHBondContact OD1-CG 3.49Å; D9-K97 IonicContact OD1-NZ 2.81Å; D9-K97 PolarHBondContact OD1-NZ 3.23Å; I53-K97 WeakPolarHBondContact CD1-O 3.3Å
98A85.9Confident93.4Very high25 Ų2536.5 Ų36.521%0.20718%0.178CC..SBendtrans-110.3-28.2-173.500000113.9I53 T54 S96I53-A98 WeakPolarHBondContact CG1-O 3.41Å; I53-A98 PolarHBondContact N-O 3.49Å; T54-A98 HydrophobicContact CG2-CB 3.49Å; T54-A98 VanDerWaalsContact CG2-CB 3.49Å; T54-A98 PolarHBondContact N-O 3.19Å; S96-A98 PolarHBondContact O-N 2.9Å
99F90.5Very high93.3Very high65 Ų6541.9 Ų41.929%0.28520%0.201SC..EExtended strand (participates in β ladder)trans-144.7147.9-172.7-57.8-77.3000112.9I50 I51 D52 T54 S96 F101I50-F99 HydrophobicContact CG2-CB 4.39Å; I50-F99 HydrophobicContact CG2-CD1 3.98Å; I50-F99 HydrophobicContact CG2-CG 4.42Å; I51-F99 CarbonylContact O-C 3.51Å; I51-F99 WeakPolarHBondContact O-CA 3.4Å; D52-F99 HydrophobicContact CB-CD1 4.14Å; D52-F99 HydrophobicContact CB-CE1 3.91Å; T54-F99 HydrophobicContact CG2-CE2 4.42Å; T54-F99 HydrophobicContact CG2-CZ 4.11Å; S96-F99 PolarHBondContact N-O 3.14Å; S96-F99 WeakPolarHBondContact OG-CA 3.48Å; S96-F99 PolarHBondContact OG-N 3.36Å; S96-F99 PolarHBondContact OG-O 3.18Å; F99-F101 HydrophobicContact CB-CD2 4.31Å; F99-F101 HydrophobicContact CB-CE2 3.61Å; F99-F101 HydrophobicContact CB-CZ 3.82Å; F99-F101 HydrophobicContact CD2-CZ 4.48Å; F99-F101 HydrophobicContact CG-CZ 4.29Å
100F93.9Very high93.2Very high0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-102.2139.2157.3-72.8-95.1000110I50 I51 I53 R68 T71 V72 I75 E95I50-F100 CarbonylContact C-O 3.54Å; I50-F100 VanDerWaalsContact CA-O 3.31Å; I50-F100 WeakPolarHBondContact CA-O 3.17Å; I51-F100 HydrophobicContact CB-CB 4.22Å; I51-F100 HydrophobicContact CD1-CB 4.44Å; I51-F100 PolarHBondContact N-O 2.89Å; I51-F100 PolarHBondContact O-N 2.73Å; I53-F100 HydrophobicContact CD1-CD2 4.18Å; I53-F100 HydrophobicContact CD1-CE2 3.85Å; I53-F100 HydrophobicContact CG2-CD2 4.27Å; I53-F100 HydrophobicContact CG2-CE2 4.35Å; R68-F100 HydrophobicContact CG-CE2 3.92Å; R68-F100 HydrophobicContact CG-CZ 3.89Å; T71-F100 HydrophobicContact CG2-CB 3.98Å; T71-F100 HydrophobicContact CG2-CD1 3.78Å; T71-F100 HydrophobicContact CG2-CD2 3.8Å; T71-F100 HydrophobicContact CG2-CE1 4.16Å; T71-F100 HydrophobicContact CG2-CE2 4.16Å; T71-F100 HydrophobicContact CG2-CG 3.59Å; T71-F100 HydrophobicContact CG2-CZ 4.34Å; V72-F100 HydrophobicContact CG2-CE1 4.49Å; V72-F100 HydrophobicContact CG2-CZ 4.31Å; I75-F100 HydrophobicContact CD1-CD1 4.03Å; I75-F100 HydrophobicContact CD1-CE1 4.14Å; E95-F100 HydrophobicContact CB-CD1 4.02Å; E95-F100 HydrophobicContact CB-CE1 3.84Å; E95-F100 VanDerWaalsContact CD-CZ 3.45Å; E95-F100 HydrophobicContact CG-CD1 3.97Å; E95-F100 HydrophobicContact CG-CE1 3.47Å; E95-F100 VanDerWaalsContact CG-CE1 3.47Å; E95-F100 HydrophobicContact CG-CE2 4.46Å; E95-F100 HydrophobicContact CG-CZ 3.74Å; E95-F100 WeakPolarHBondContact OE1-CZ 3.5Å
101F95.4Very high93.1Very high3 Ų344.3 Ų44.31%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-118.7110.8172.9-56.8-96.4000108.9A13 F16 V48 I50 C93 Y94 F99A13-F101 HydrophobicContact CB-CE2 4.19Å; A13-F101 HydrophobicContact CB-CZ 4.41Å; F16-F101 HydrophobicContact CB-CD1 4.45Å; F16-F101 HydrophobicContact CB-CD2 4.4Å; F16-F101 HydrophobicContact CB-CG 4.21Å; F16-F101 AromaticContact CD1-CD1 3.68Å; F16-F101 HydrophobicContact CD1-CD1 3.68Å; F16-F101 AromaticContact CD1-CE1 3.83Å; F16-F101 HydrophobicContact CD1-CE1 3.83Å; F16-F101 HydrophobicContact CD1-CG 4.29Å; F16-F101 HydrophobicContact CD2-CB 4.02Å; F16-F101 HydrophobicContact CD2-CD1 4.15Å; F16-F101 HydrophobicContact CD2-CG 4.24Å; F16-F101 AromaticContact CE1-CD1 3.96Å; F16-F101 HydrophobicContact CE1-CD1 3.96Å; F16-F101 HydrophobicContact CE1-CE1 4.15Å; F16-F101 HydrophobicContact CE2-CD1 4.41Å; F16-F101 HydrophobicContact CG-CB 4.21Å; F16-F101 AromaticContact CG-CD1 3.8Å; F16-F101 HydrophobicContact CG-CD1 3.8Å; F16-F101 HydrophobicContact CG-CE1 4.33Å; F16-F101 AromaticContact CG-CG 3.96Å; F16-F101 HydrophobicContact CG-CG 3.96Å; F16-F101 HydrophobicContact CZ-CD1 4.32Å; V48-F101 HydrophobicContact CG2-CB 4.06Å; V48-F101 HydrophobicContact CG2-CD1 4.24Å; I50-F101 HydrophobicContact CB-CD1 4.49Å; I50-F101 HydrophobicContact CD1-CD1 4.29Å; I50-F101 HydrophobicContact CD1-CE1 4.14Å; I50-F101 HydrophobicContact CG1-CD1 3.88Å; I50-F101 HydrophobicContact CG1-CE1 4.13Å; I50-F101 HydrophobicContact CG2-CD1 4.12Å; I50-F101 HydrophobicContact CG2-CE1 3.84Å; I50-F101 HydrophobicContact CG2-CZ 4.41Å; C93-F101 CarbonylContact C-O 3.56Å; C93-F101 WeakPolarHBondContact CA-O 3.17Å; Y94-F101 HydrophobicContact CD2-CB 4.22Å; Y94-F101 PolarHBondContact N-O 3.43Å; Y94-F101 PolarHBondContact O-N 3.32Å; F99-F101 HydrophobicContact CB-CD2 4.31Å; F99-F101 HydrophobicContact CB-CE2 3.61Å; F99-F101 HydrophobicContact CB-CZ 3.82Å; F99-F101 HydrophobicContact CD2-CZ 4.48Å; F99-F101 HydrophobicContact CG-CZ 4.29Å
102L96.2Very high93.2Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-108.1114.3176.8-55.3-176.7000109.2V48 K49 I51 I75 L90 C93 F104V48-L102 CarbonylContact C-O 3.54Å; V48-L102 VanDerWaalsContact CA-O 3.31Å; V48-L102 WeakPolarHBondContact CA-O 2.95Å; K49-L102 HydrophobicContact CB-CB 4.32Å; K49-L102 PolarHBondContact N-O 2.84Å; K49-L102 PolarHBondContact O-N 3.19Å; I51-L102 HydrophobicContact CD1-CD1 4.22Å; I75-L102 HydrophobicContact CD1-CD2 3.83Å; I75-L102 HydrophobicContact CG1-CD1 4.28Å; I75-L102 HydrophobicContact CG1-CD2 3.62Å; L90-L102 HydrophobicContact CD1-CB 3.85Å; L90-L102 HydrophobicContact CD1-CD2 4.18Å; C93-L102 HydrophobicContact CB-CD2 3.99Å; C93-L102 WeakPolarHBondContact SG-CD2 3.23Å; L102-F104 HydrophobicContact CB-CD2 4.32Å; L102-F104 HydrophobicContact CB-CE2 3.43Å; L102-F104 VanDerWaalsContact CB-CE2 3.43Å; L102-F104 HydrophobicContact CB-CZ 3.72Å; L102-F104 HydrophobicContact CD1-CE2 4.46Å; L102-F104 HydrophobicContact CD1-CZ 4.19Å; L102-F104 WeakPolarHBondContact O-CD2 3.33Å; L102-F104 WeakPolarHBondContact O-CE2 3.26Å
103V97.6Very high93.2Very high0 Ų041.8 Ų41.80%021%0.206CC..EExtended strand (participates in β ladder)trans-97126.2-177-174.50000109.6F16 Y20 Y46 A47 V48 K91 D92 Y94F16-V103 HydrophobicContact CD2-CG2 4.29Å; F16-V103 HydrophobicContact CE2-CG2 4.09Å; Y20-V103 HydrophobicContact CD2-CG2 4.28Å; Y20-V103 HydrophobicContact CE1-CG1 4.07Å; Y20-V103 HydrophobicContact CE2-CG1 4.42Å; Y20-V103 HydrophobicContact CE2-CG2 4.03Å; Y46-V103 HydrophobicContact CD1-CG1 4.32Å; Y46-V103 HydrophobicContact CG-CG1 3.99Å; A47-V103 CarbonylContact O-C 3.53Å; A47-V103 WeakPolarHBondContact O-CA 3.42Å; V48-V103 HydrophobicContact CB-CG2 4.5Å; V48-V103 HydrophobicContact CG2-CG2 4.25Å; K91-V103 HydrophobicContact CB-CG1 4.43Å; K91-V103 PolarHBondContact N-O 3.02Å; D92-V103 HydrophobicContact CB-CB 4.14Å; D92-V103 HydrophobicContact CB-CG2 4.2Å; D92-V103 PolarHBondContact O-N 3.07Å; Y94-V103 HydrophobicContact CE2-CG2 4.28Å
104F97.1Very high93Very high16 Ų1644.4 Ų44.47%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-125.5161.7-175.8-60.9-80.9000111.9Y46 A47 K49 L78 I88 Q89 L90 L102 L106Y46-F104 WeakPolarHBondContact CA-O 3.43Å; Y46-F104 WeakPolarHBondContact CB-O 3.48Å; A47-F104 PolarHBondContact N-O 3.46Å; A47-F104 PolarHBondContact O-N 3.4Å; K49-F104 HydrophobicContact CB-CD2 4.45Å; K49-F104 HydrophobicContact CB-CE2 3.91Å; K49-F104 HydrophobicContact CD-CE2 4.47Å; L78-F104 HydrophobicContact CD1-CE1 3.77Å; L78-F104 HydrophobicContact CD1-CZ 3.84Å; L78-F104 HydrophobicContact CD2-CE1 4.21Å; I88-F104 HydrophobicContact CD1-CB 4.36Å; I88-F104 HydrophobicContact CG1-CB 3.95Å; I88-F104 HydrophobicContact CG1-CD1 3.82Å; I88-F104 HydrophobicContact CG1-CG 4.15Å; I88-F104 HydrophobicContact CG2-CD1 4.15Å; I88-F104 HydrophobicContact CG2-CE1 4.26Å; Q89-F104 WeakPolarHBondContact O-CA 3.19Å; L90-F104 HydrophobicContact CB-CD1 4.32Å; L90-F104 HydrophobicContact CB-CE1 4.02Å; L90-F104 HydrophobicContact CD1-CD1 4.22Å; L90-F104 HydrophobicContact CD1-CE1 3.71Å; L90-F104 HydrophobicContact CD1-CE2 4.47Å; L90-F104 HydrophobicContact CD1-CZ 3.86Å; L90-F104 HydrophobicContact CG-CE1 4.47Å; L102-F104 HydrophobicContact CB-CD2 4.32Å; L102-F104 HydrophobicContact CB-CE2 3.43Å; L102-F104 VanDerWaalsContact CB-CE2 3.43Å; L102-F104 HydrophobicContact CB-CZ 3.72Å; L102-F104 HydrophobicContact CD1-CE2 4.46Å; L102-F104 HydrophobicContact CD1-CZ 4.19Å; L102-F104 WeakPolarHBondContact O-CD2 3.33Å; L102-F104 WeakPolarHBondContact O-CE2 3.26Å; F104-L106 PolarHBondContact O-N 2.9Å
105D94.4Very high93Very high40 Ų4044.9 Ų44.921%0.21422%0.219CC..EExtended strand (participates in β ladder)trans-55.6136165.7-74.2-41.8000111.2I88 Q89 K91 M107I88-D105 HydrophobicContact CD1-CB 4.25Å; Q89-D105 VanDerWaalsContact CB-OD2 3.29Å; Q89-D105 WeakPolarHBondContact CB-OD2 3.34Å; Q89-D105 WeakPolarHBondContact CG-OD2 3.39Å; Q89-D105 PolarHBondContact O-N 3.45Å; K91-D105 WeakPolarHBondContact CE-OD1 3.16Å; K91-D105 VanDerWaalsContact CE-OD2 3.29Å; K91-D105 WeakPolarHBondContact CE-OD2 3.35Å; K91-D105 IonicContact NZ-OD1 3.48Å; K91-D105 PolarHBondContact NZ-OD1 2.85Å; K91-D105 VanDerWaalsContact NZ-OD1 3.12Å; K91-D105 IonicContact NZ-OD2 3.21Å; K91-D105 PolarHBondContact NZ-OD2 3.27Å; D105-M107 HydrophobicContact CB-CE 3.39Å
106L94.9Very high93.2Very high33 Ų3341.2 Ų41.217%0.17320%0.202CC..  trans-79.1122.7177.4-179.764.4000111.2L26 R36 E45 A47 F104 K108L26-L106 HydrophobicContact CD1-CD1 3.64Å; R36-L106 HydrophobicContact CG-CD2 4.07Å; E45-L106 HydrophobicContact CB-CD2 3.75Å; A47-L106 HydrophobicContact CB-CD1 4.15Å; F104-L106 PolarHBondContact O-N 2.9Å; L106-K108 HydrophobicContact CD2-CG 4.32Å; L106-K108 HydrophobicContact CG-CG 4.33Å
107M94.9Very high93.3Very high25 Ų2544.9 Ų44.912%0.12322%0.224CC..  trans-98.595.7176.5-62.1-60.2125.600110.9I88 D105 K109 G110 L157 D159 K165I88-M107 HydrophobicContact CD1-CE 3.85Å; I88-M107 HydrophobicContact CD1-CG 4.04Å; D105-M107 HydrophobicContact CB-CE 3.39Å; M107-K109 VanDerWaalsContact C-N 3.29Å; M107-K109 PolarHBondContact O-N 3.5Å; M107-G110 PolarHBondContact O-N 3.3Å; M107-G110 VanDerWaalsContact O-N 3.13Å; M107-L157 HydrophobicContact CB-CB 3.7Å; M107-L157 HydrophobicContact CB-CD1 3.94Å; M107-L157 HydrophobicContact CB-CG 4.36Å; M107-L157 HydrophobicContact CG-CB 3.6Å; M107-L157 HydrophobicContact CG-CD1 3.68Å; M107-L157 HydrophobicContact CG-CG 4.29Å; M107-D159 HydrophobicContact SD-CB 4.16Å; M107-K165 HydrophobicContact CE-CG 4.03Å; M107-K165 HydrophobicContact SD-CB 4.21Å; M107-K165 HydrophobicContact SD-CG 3.54Å; M107-K165 VanDerWaalsContact SD-CG 3.54Å
108K90.6Very high93.8Very high123 Ų12347.7 Ų47.754%0.53524%0.239SC..THydrogen-bonded Turntrans-68.5-22-170.4-66.2-178179178.60114.7E45 L106 G110E45-K108 IonicContact OE2-NZ 3.7Å; L106-K108 HydrophobicContact CD2-CG 4.32Å; L106-K108 HydrophobicContact CG-CG 4.33Å; K108-G110 VanDerWaalsContact C-N 3.3Å
109K93.8Very high94Very high116 Ų11651.2 Ų51.250%0.50425%0.249SC..THydrogen-bonded Turntrans-88.41.9176.2-62.3-63.7-175179.50113.2M107 L158 D159 M162M107-K109 VanDerWaalsContact C-N 3.29Å; M107-K109 PolarHBondContact O-N 3.5Å; K109-L158 HydrophobicContact CB-CB 3.59Å; K109-L158 WeakPolarHBondContact CB-O 3.45Å; K109-L158 PolarHBondContact N-O 3.1Å; K109-D159 WeakPolarHBondContact CG-O 3.32Å; K109-M162 HydrophobicContact CG-SD 4.3Å
110G93.9Very high94Very high26 Ų2653 Ų5327%0.26827%0.265SS..  trans67.6-147.6173.900000112.8M107 K108 L157 L158M107-G110 PolarHBondContact O-N 3.3Å; M107-G110 VanDerWaalsContact O-N 3.13Å; K108-G110 VanDerWaalsContact C-N 3.3Å; G110-L157 CarbonylContact O-C 3.45Å; G110-L157 VanDerWaalsContact O-CA 3.31Å; G110-L157 WeakPolarHBondContact O-CA 3.38Å; G110-L158 PolarHBondContact O-N 3.04Å
111E95.6Very high93.9Very high69 Ų6955.3 Ų55.332%0.32228%0.28SS..BIsolated β-bridgetrans-84.6146.5-174-59.6176.6-162.100112.2F113 D114 Y115 E154 L157E111-F113 HydrophobicContact CB-CB 4.38Å; E111-F113 PolarHBondContact O-N 2.95Å; E111-D114 PolarHBondContact O-N 3.24Å; E111-Y115 PolarHBondContact O-N 2.88Å; E111-E154 WeakPolarHBondContact OE2-CA 3.36Å; E111-E154 WeakPolarHBondContact OE2-CB 3.47Å; E111-L157 HydrophobicContact CB-CD2 4.49Å; E111-L157 HydrophobicContact CG-CD2 3.84Å
112L96.9Very high93.9Very high0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-62.4-28172.2176.462.5000111.4Y115 L116 I130 P153 I156 L158 L223L112-Y115 HydrophobicContact CD1-CD1 4.08Å; L112-Y115 PolarHBondContact O-N 2.93Å; L112-L116 WeakPolarHBondContact O-CB 3.38Å; L112-L116 PolarHBondContact O-N 3.47Å; L112-I130 HydrophobicContact CD1-CD1 3.89Å; L112-I130 HydrophobicContact CD2-CG2 3.89Å; L112-P153 WeakPolarHBondContact CB-O 3.43Å; L112-P153 HydrophobicContact CG-CB 4.45Å; L112-P153 PolarHBondContact N-O 2.9Å; L112-I156 HydrophobicContact CB-CB 4.03Å; L112-I156 HydrophobicContact CB-CG2 4.13Å; L112-I156 VanDerWaalsContact CB-O 3.24Å; L112-I156 WeakPolarHBondContact CB-O 3.1Å; L112-I156 HydrophobicContact CD2-CB 4.05Å; L112-I156 HydrophobicContact CD2-CD1 4.08Å; L112-I156 HydrophobicContact CD2-CG2 3.86Å; L112-I156 PolarHBondContact N-O 3.36Å; L112-L158 HydrophobicContact CD1-CD1 4.26Å; L112-L223 HydrophobicContact CD1-CD2 4.18Å; L112-L223 HydrophobicContact CD2-CD1 4.44Å; L112-L223 HydrophobicContact CD2-CD2 3.99Å; L112-L223 HydrophobicContact CG-CD2 4.08Å
113F94.4Very high93.8Very high81 Ų8158.7 Ų58.736%0.35530%0.3SS..Hα-helixtrans-59-49173-177.2-94.7000112.5E111 Y115 L116 T117 P153 E154E111-F113 HydrophobicContact CB-CB 4.38Å; E111-F113 PolarHBondContact O-N 2.95Å; F113-Y115 VanDerWaalsContact C-N 3.35Å; F113-L116 PolarHBondContact O-N 3.27Å; F113-T117 WeakPolarHBondContact O-CB 3.34Å; F113-T117 PolarHBondContact O-N 3.48Å; F113-T117 PolarHBondContact O-OG1 3.42Å; F113-P153 HydrophobicContact CB-CB 3.95Å; F113-P153 HydrophobicContact CD2-CB 4.41Å; F113-P153 PolarHBondContact N-O 3.41Å; F113-E154 HydrophobicContact CB-CG 3.94Å; F113-E154 HydrophobicContact CD2-CG 4.31Å; F113-E154 HydrophobicContact CG-CG 4.06Å
114D92.6Very high93.7Very high92 Ų9260.3 Ų60.349%0.49231%0.308SS..Hα-helixtrans-65.5-41.4178.7-72-29.5000110.9E111 L116 T117 E118E111-D114 PolarHBondContact O-N 3.24Å; D114-L116 PolarHBondContact O-N 2.97Å; D114-T117 WeakPolarHBondContact O-CB 3.44Å; D114-T117 PolarHBondContact O-N 3.41Å; D114-T117 VanDerWaalsContact O-N 3.16Å; D114-E118 PolarHBondContact O-N 2.89Å
115Y94.4Very high93.6Very high38 Ų3867.5 Ų67.515%0.14934%0.339CS..Hα-helixtrans-60.3-44175.1-179-109.1000112.4E111 L112 F113 T117 E118 K119 L122 L158 M162E111-Y115 PolarHBondContact O-N 2.88Å; L112-Y115 HydrophobicContact CD1-CD1 4.08Å; L112-Y115 PolarHBondContact O-N 2.93Å; F113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-T117 VanDerWaalsContact C-N 3.33Å; Y115-E118 PolarHBondContact O-N 3.29Å; Y115-K119 HydrophobicContact CD2-CG 4.36Å; Y115-K119 HydrophobicContact CE1-CG 4.17Å; Y115-K119 HydrophobicContact CE2-CD 4.44Å; Y115-K119 HydrophobicContact CE2-CG 3.91Å; Y115-K119 WeakPolarHBondContact O-CB 3.08Å; Y115-K119 WeakPolarHBondContact O-CG 3.43Å; Y115-K119 PolarHBondContact O-N 3.01Å; Y115-K119 WeakPolarHBondContact OH-CE 3.47Å; Y115-L122 HydrophobicContact CD1-CD2 4.14Å; Y115-L122 HydrophobicContact CE1-CD1 4.4Å; Y115-L122 HydrophobicContact CE1-CD2 3.59Å; Y115-L158 HydrophobicContact CD1-CD1 4.11Å; Y115-L158 HydrophobicContact CD2-CD1 4.43Å; Y115-L158 HydrophobicContact CG-CD1 3.77Å; Y115-M162 HydrophobicContact CD1-CE 3.98Å; Y115-M162 HydrophobicContact CD2-CE 3.64Å; Y115-M162 HydrophobicContact CE1-CE 3.68Å; Y115-M162 HydrophobicContact CE2-CE 3.31Å; Y115-M162 HydrophobicContact CE2-SD 4.48Å; Y115-M162 HydrophobicContact CG-CE 3.96Å
116L94.1Very high93.6Very high11 Ų1168.7 Ų68.76%0.05834%0.344CS..Hα-helixtrans-63.8-40.7174.4-179.865.8000111.1L112 F113 D114 E118 K119 V120 L122 T222 L223L112-L116 WeakPolarHBondContact O-CB 3.38Å; L112-L116 PolarHBondContact O-N 3.47Å; F113-L116 PolarHBondContact O-N 3.27Å; D114-L116 PolarHBondContact O-N 2.97Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.36Å; L116-K119 CarbonylContact O-C 3.59Å; L116-K119 PolarHBondContact O-N 3.2Å; L116-V120 WeakPolarHBondContact O-CA 3.29Å; L116-V120 PolarHBondContact O-N 3.39Å; L116-L122 HydrophobicContact CD1-CG 4.12Å; L116-T222 HydrophobicContact CD2-CG2 3.89Å; L116-L223 HydrophobicContact CD1-CD2 4.39Å; L116-L223 HydrophobicContact CD2-CD2 4.27Å
117T90.2Very high93.7Very high88 Ų8867.1 Ų67.154%0.5434%0.335SS..Hα-helixtrans-61.5-39.6178.6-62.10000111.7F113 D114 Y115F113-T117 WeakPolarHBondContact O-CB 3.34Å; F113-T117 PolarHBondContact O-N 3.48Å; F113-T117 PolarHBondContact O-OG1 3.42Å; D114-T117 WeakPolarHBondContact O-CB 3.44Å; D114-T117 PolarHBondContact O-N 3.41Å; D114-T117 VanDerWaalsContact O-N 3.16Å; Y115-T117 VanDerWaalsContact C-N 3.33Å
118E92.2Very high93.8Very high151 Ų15169.1 Ų69.171%0.70634%0.341SS*.Hα-helixtrans-67.1-42.7174.4-169.2-169.1151.200112D114 Y115 L116D114-E118 PolarHBondContact O-N 2.89Å; Y115-E118 PolarHBondContact O-N 3.29Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.36Å
119K90.2Very high94Very high98 Ų9868.1 Ų68.143%0.42634%0.337SS..Hα-helixtrans-83.9-17-175.8-67.4-68-178.1-1800114.6Y115 L116 T121 L122Y115-K119 HydrophobicContact CD2-CG 4.36Å; Y115-K119 HydrophobicContact CE1-CG 4.17Å; Y115-K119 HydrophobicContact CE2-CD 4.44Å; Y115-K119 HydrophobicContact CE2-CG 3.91Å; Y115-K119 WeakPolarHBondContact O-CB 3.08Å; Y115-K119 WeakPolarHBondContact O-CG 3.43Å; Y115-K119 PolarHBondContact O-N 3.01Å; Y115-K119 WeakPolarHBondContact OH-CE 3.47Å; L116-K119 CarbonylContact O-C 3.59Å; L116-K119 PolarHBondContact O-N 3.2Å; K119-T121 PolarHBondContact O-N 3.04Å; K119-L122 HydrophobicContact CB-CD2 4.01Å; K119-L122 HydrophobicContact CG-CD2 4.24Å
120V90.9Very high94.2Very high102 Ų10263.1 Ų63.162%0.61832%0.316SS*.SBendtrans66-50.8-170.1-171.80000113.4L116 G226L116-V120 WeakPolarHBondContact O-CA 3.29Å; L116-V120 PolarHBondContact O-N 3.39Å; V120-G226 WeakPolarHBondContact O-CA 3.5Å
121T92.1Very high94.5Very high50 Ų5061.9 Ų61.931%0.30730%0.303SS..SBendtrans-143.9155.8175.164.10000110.2K119K119-T121 PolarHBondContact O-N 3.04Å
122L94.5Very high94.6Very high1 Ų162.5 Ų62.51%0.00530%0.303CS..  trans-100.8151.6173.2-58.1-169.4000111.7Y115 L116 K119 E126 I130 L223 R257Y115-L122 HydrophobicContact CD1-CD2 4.14Å; Y115-L122 HydrophobicContact CE1-CD1 4.4Å; Y115-L122 HydrophobicContact CE1-CD2 3.59Å; L116-L122 HydrophobicContact CD1-CG 4.12Å; K119-L122 HydrophobicContact CB-CD2 4.01Å; K119-L122 HydrophobicContact CG-CD2 4.24Å; L122-E126 HydrophobicContact CB-CB 4.22Å; L122-E126 HydrophobicContact CD1-CB 4.48Å; L122-I130 HydrophobicContact CD1-CD1 3.58Å; L122-L223 HydrophobicContact CD1-CB 4.27Å; L122-L223 HydrophobicContact CD1-CD1 4.46Å; L122-L223 HydrophobicContact CD1-CD2 3.86Å; L122-L223 HydrophobicContact CD1-CG 4.42Å; L122-L223 PolarHBondContact N-O 3.02Å; L122-R257 VanDerWaalsContact O-CZ 3.28Å; L122-R257 PolarHBondContact O-NH1 3.39Å; L122-R257 PolarHBondContact O-NH2 2.69Å
123T95.1Very high94.6Very high72 Ų7263.1 Ų63.144%0.44231%0.308SS..  trans-68.2157.116864.10000110.4K125 E126 A127T123-K125 PolarHBondContact O-N 2.84Å; T123-K125 VanDerWaalsContact O-N 3.16Å; T123-E126 WeakPolarHBondContact CB-OE2 3.34Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.44Å; T123-E126 PolarHBondContact N-OE2 2.87Å; T123-E126 PolarHBondContact O-N 2.84Å; T123-E126 WeakPolarHBondContact OG1-CG 3.45Å; T123-E126 PolarHBondContact OG1-N 2.9Å; T123-E126 PolarHBondContact OG1-OE2 2.89Å; T123-A127 WeakPolarHBondContact O-CB 3.46Å; T123-A127 PolarHBondContact O-N 2.66Å
124E95.7Very high94.8Very high35 Ų3559.3 Ų59.316%0.16429%0.291CS..Hα-helixtrans-59-28.9173.6-72.8-169.4-165.100112.7R128 L224 S258 V261 F287E124-R128 WeakPolarHBondContact O-CB 3.47Å; E124-R128 PolarHBondContact O-N 3.4Å; E124-R128 PolarHBondContact O-NH1 3.05Å; E124-R128 IonicContact OE2-NH2 2.83Å; E124-L224 HydrophobicContact CG-CD2 4.08Å; E124-S258 VanDerWaalsContact CD-OG 3.29Å; E124-S258 WeakPolarHBondContact OE1-CB 3.42Å; E124-S258 PolarHBondContact OE1-N 3.39Å; E124-S258 PolarHBondContact OE1-OG 3.24Å; E124-S258 PolarHBondContact OE2-OG 2.87Å; E124-S258 VanDerWaalsContact OE2-OG 3.08Å; E124-V261 HydrophobicContact CG-CG1 4.47Å; E124-V261 WeakPolarHBondContact OE1-CG1 3.48Å; E124-F287 HydrophobicContact CB-CE2 4.38Å
125K94.1Very high95.1Very high167 Ų16754.9 Ų54.973%0.72627%0.267SS*.Hα-helixtrans-66.3-46.6177.3-175-178.4175.8-175.30111.6T123 K129T123-K125 PolarHBondContact O-N 2.84Å; T123-K125 VanDerWaalsContact O-N 3.16Å; K125-K129 PolarHBondContact O-N 2.9Å
126E94.9Very high95.3Very high65 Ų6556.9 Ų56.930%0.30428%0.278SS..Hα-helixtrans-67.1-48.5177.3-69.5162.1129.700110.9L122 T123 R128 K129 I130L122-E126 HydrophobicContact CB-CB 4.22Å; L122-E126 HydrophobicContact CD1-CB 4.48Å; T123-E126 WeakPolarHBondContact CB-OE2 3.34Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.44Å; T123-E126 PolarHBondContact N-OE2 2.87Å; T123-E126 PolarHBondContact O-N 2.84Å; T123-E126 WeakPolarHBondContact OG1-CG 3.45Å; T123-E126 PolarHBondContact OG1-N 2.9Å; T123-E126 PolarHBondContact OG1-OE2 2.89Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.2Å; E126-K129 PolarHBondContact O-N 3.23Å; E126-I130 PolarHBondContact O-N 3.28Å
127A96.8Very high95.5Very high0 Ų056.6 Ų56.60%028%0.277CS..Hα-helixtrans-57.1-41.5176.200000111.3T123 K129 I130 M131 L224T123-A127 WeakPolarHBondContact O-CB 3.46Å; T123-A127 PolarHBondContact O-N 2.66Å; A127-K129 PolarHBondContact O-N 3.31Å; A127-I130 PolarHBondContact O-N 3.07Å; A127-M131 WeakPolarHBondContact O-CB 3.43Å; A127-M131 WeakPolarHBondContact O-CG 3.36Å; A127-M131 PolarHBondContact O-N 2.78Å; A127-L224 HydrophobicContact CB-CD2 3.8Å; A127-L224 HydrophobicContact CB-CG 4.22Å
128R96.8Very high95.9Very high66 Ų6652.4 Ų52.425%0.24925%0.251CS..Hα-helixtrans-60.7-41.1175.4-173.9-174.6-63.5995.6113E124 E126 R132 F287 F288E124-R128 WeakPolarHBondContact O-CB 3.47Å; E124-R128 PolarHBondContact O-N 3.4Å; E124-R128 PolarHBondContact O-NH1 3.05Å; E124-R128 IonicContact OE2-NH2 2.83Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.2Å; R128-R132 WeakPolarHBondContact O-CB 3.45Å; R128-R132 PolarHBondContact O-N 3.19Å; R128-F287 HydrophobicContact CB-CE1 3.65Å; R128-F287 HydrophobicContact CB-CZ 3.67Å; R128-F287 WeakPolarHBondContact CD-O 3.1Å; R128-F287 HydrophobicContact CG-CD1 4.3Å; R128-F287 HydrophobicContact CG-CE1 3.79Å; R128-F287 HydrophobicContact CG-CZ 4.18Å; R128-F287 PolarHBondContact NE-O 3.2Å; R128-F288 HydrophobicContact CG-CD1 3.88Å; R128-F288 HydrophobicContact CG-CE1 4.12Å
129K96Very high96.2Very high103 Ų10349 Ų4945%0.44824%0.235SC..Hα-helixtrans-64.3-49.8178-172-169174.8-155.50110.4K125 E126 A127 A133 N161 M162 N163K125-K129 PolarHBondContact O-N 2.9Å; E126-K129 PolarHBondContact O-N 3.23Å; A127-K129 PolarHBondContact O-N 3.31Å; K129-A133 PolarHBondContact O-N 2.81Å; K129-N161 PolarHBondContact NZ-O 3.37Å; K129-M162 PolarHBondContact NZ-O 3.47Å; K129-M162 VanDerWaalsContact NZ-O 3.11Å; K129-N163 WeakPolarHBondContact CE-OD1 3.21Å; K129-N163 PolarHBondContact NZ-OD1 2.87Å
130I97.8Very high96.6Very high10 Ų1046.1 Ų46.15%0.05122%0.222CC..Hα-helixtrans-62.6-51.4-179.6-71.5161.9000110.8L112 L122 E126 A127 R132 A133 L134 I164 L223L112-I130 HydrophobicContact CD1-CD1 3.89Å; L112-I130 HydrophobicContact CD2-CG2 3.89Å; L122-I130 HydrophobicContact CD1-CD1 3.58Å; E126-I130 PolarHBondContact O-N 3.28Å; A127-I130 PolarHBondContact O-N 3.07Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-R132 PolarHBondContact O-N 3.41Å; I130-A133 PolarHBondContact O-N 2.73Å; I130-L134 PolarHBondContact O-N 2.88Å; I130-I164 HydrophobicContact CB-CG2 4.41Å; I130-I164 HydrophobicContact CG1-CG2 4.08Å; I130-I164 HydrophobicContact CG2-CG2 4.04Å; I130-L223 HydrophobicContact CG2-CD1 3.91Å
131M98.4Very high96.9Very high1 Ų141.2 Ų41.21%0.00519%0.193CC..Hα-helixtrans-66.4-33.6-177.7-67.2-53.9-53.900112.3A127 L134 L135 A216 I219 M220 L223 M268 F288A127-M131 WeakPolarHBondContact O-CB 3.43Å; A127-M131 WeakPolarHBondContact O-CG 3.36Å; A127-M131 PolarHBondContact O-N 2.78Å; M131-L134 HydrophobicContact CE-CD2 4.04Å; M131-L134 PolarHBondContact O-N 2.84Å; M131-L134 HydrophobicContact SD-CD2 4.31Å; M131-L135 HydrophobicContact CE-CD2 3.59Å; M131-L135 VanDerWaalsContact O-CB 3.26Å; M131-L135 WeakPolarHBondContact O-CB 3.22Å; M131-L135 VanDerWaalsContact O-CD2 3.29Å; M131-L135 WeakPolarHBondContact O-CD2 3.34Å; M131-L135 WeakPolarHBondContact O-CG 3.31Å; M131-L135 PolarHBondContact O-N 3.23Å; M131-A216 HydrophobicContact CE-CB 4.2Å; M131-A216 VanDerWaalsContact CE-O 3.3Å; M131-A216 WeakPolarHBondContact CE-O 3.31Å; M131-I219 HydrophobicContact SD-CG2 4.06Å; M131-M220 HydrophobicContact CE-CB 3.81Å; M131-M220 HydrophobicContact CE-CG 4.39Å; M131-M220 HydrophobicContact CG-CB 4.19Å; M131-M220 HydrophobicContact CG-CG 3.94Å; M131-M220 HydrophobicContact CG-SD 4.35Å; M131-M220 HydrophobicContact SD-CB 3.86Å; M131-M220 HydrophobicContact SD-CG 4.28Å; M131-L223 HydrophobicContact CG-CD1 4.47Å; M131-L223 HydrophobicContact SD-CD1 4.02Å; M131-M268 HydrophobicContact CE-CE 4.4Å; M131-F288 HydrophobicContact CB-CE1 4.21Å; M131-F288 HydrophobicContact CB-CZ 3.95Å
132R98Very high97.2Very high82 Ų8240.2 Ų40.231%0.30919%0.185SC..Hα-helixtrans-60.3-53.5173.9175.8-178-63.6-86.60.9110.4R128 I130 L134 L135 E136 L283 F288R128-R132 WeakPolarHBondContact O-CB 3.45Å; R128-R132 PolarHBondContact O-N 3.19Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-R132 PolarHBondContact O-N 3.41Å; R132-L134 VanDerWaalsContact C-N 3.28Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L135 PolarHBondContact O-N 2.89Å; R132-E136 WeakPolarHBondContact CD-OE1 3.24Å; R132-E136 HydrophobicContact CG-CG 4.37Å; R132-E136 WeakPolarHBondContact CG-OE1 3.42Å; R132-E136 WeakPolarHBondContact O-CG 3.38Å; R132-E136 PolarHBondContact O-N 3.43Å; R132-L283 HydrophobicContact CG-CD2 4.21Å; R132-F288 HydrophobicContact CB-CD1 3.95Å; R132-F288 HydrophobicContact CB-CE1 3.78Å; R132-F288 PolarHBondContact NH2-O 3.35Å
133A98.1Very high97.3Very high13 Ų1344.3 Ų44.311%0.10721%0.213CC..Hα-helixtrans-59.2-41.2-179.400000111.7N86 K129 I130 V137 I164N86-A133 WeakPolarHBondContact ND2-CB 3.45Å; K129-A133 PolarHBondContact O-N 2.81Å; I130-A133 PolarHBondContact O-N 2.73Å; A133-V137 WeakPolarHBondContact O-CG2 3.43Å; A133-V137 PolarHBondContact O-N 3.4Å; A133-V137 VanDerWaalsContact O-N 3.14Å; A133-I164 HydrophobicContact CB-CD1 3.78Å; A133-I164 HydrophobicContact CB-CG1 3.61Å
134L98.7Very high97.4Very high0 Ų043.8 Ų43.80%021%0.206CC..Hα-helixtrans-64.1-45.6177.3177.862000111I130 M131 R132 E136 V137 L138 L151 I156 I164 L166 A216 I219I130-L134 PolarHBondContact O-N 2.88Å; M131-L134 HydrophobicContact CE-CD2 4.04Å; M131-L134 PolarHBondContact O-N 2.84Å; M131-L134 HydrophobicContact SD-CD2 4.31Å; R132-L134 VanDerWaalsContact C-N 3.28Å; R132-L134 PolarHBondContact O-N 3.46Å; L134-E136 VanDerWaalsContact C-N 3.35Å; L134-E136 PolarHBondContact O-N 2.99Å; L134-V137 WeakPolarHBondContact O-CB 3.1Å; L134-V137 PolarHBondContact O-N 2.8Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.77Å; L134-L151 HydrophobicContact CD1-CD2 4.44Å; L134-I156 HydrophobicContact CD1-CD1 4.19Å; L134-I156 HydrophobicContact CD2-CD1 3.97Å; L134-I164 HydrophobicContact CB-CD1 3.77Å; L134-L166 HydrophobicContact CD1-CD1 4.38Å; L134-A216 HydrophobicContact CD2-CB 4.27Å; L134-I219 HydrophobicContact CD2-CD1 4.19Å
135L98.5Very high97.4Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-71.5-30.6-177-83-83.7000112.3M131 R132 V137 L138 Q139 I213 A216 M268 A279 V282 L283M131-L135 HydrophobicContact CE-CD2 3.59Å; M131-L135 VanDerWaalsContact O-CB 3.26Å; M131-L135 WeakPolarHBondContact O-CB 3.22Å; M131-L135 VanDerWaalsContact O-CD2 3.29Å; M131-L135 WeakPolarHBondContact O-CD2 3.34Å; M131-L135 WeakPolarHBondContact O-CG 3.31Å; M131-L135 PolarHBondContact O-N 3.23Å; R132-L135 PolarHBondContact O-N 2.89Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-L138 HydrophobicContact CD2-CD1 4.43Å; L135-L138 PolarHBondContact O-N 2.8Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 3.31Å; L135-I213 HydrophobicContact CD1-CD1 4.32Å; L135-A216 HydrophobicContact CD2-CB 4.03Å; L135-M268 HydrophobicContact CD1-CE 4.35Å; L135-M268 HydrophobicContact CD2-CE 4.43Å; L135-A279 HydrophobicContact CD1-CB 4.26Å; L135-V282 HydrophobicContact CD1-CB 3.66Å; L135-V282 HydrophobicContact CD1-CG1 3.39Å; L135-V282 HydrophobicContact CD1-CG2 4.12Å; L135-V282 HydrophobicContact CG-CB 4.44Å; L135-V282 HydrophobicContact CG-CG1 3.68Å; L135-L283 HydrophobicContact CB-CD1 4.39Å; L135-L283 HydrophobicContact CB-CD2 3.79Å; L135-L283 HydrophobicContact CB-CG 3.91Å
136E98.3Very high97.6Very high80 Ų8036.8 Ų36.837%0.37418%0.178SC..Hα-helixtrans-63.3-41.1169.1-74.1165.1178.200111R132 L134 Q139 F140 L283R132-E136 WeakPolarHBondContact CD-OE1 3.24Å; R132-E136 HydrophobicContact CG-CG 4.37Å; R132-E136 WeakPolarHBondContact CG-OE1 3.42Å; R132-E136 WeakPolarHBondContact O-CG 3.38Å; R132-E136 PolarHBondContact O-N 3.43Å; L134-E136 VanDerWaalsContact C-N 3.35Å; L134-E136 PolarHBondContact O-N 2.99Å; E136-Q139 PolarHBondContact O-N 3.09Å; E136-F140 PolarHBondContact O-N 3.27Å; E136-L283 HydrophobicContact CG-CD1 4.05Å; E136-L283 HydrophobicContact CG-CD2 4.07Å
137V98.5Very high97.7Very high5 Ų533.7 Ų33.73%0.0316%0.163CC..Hα-helixtrans-61.7-47.2172.1170.80000111.2N86 I87 A133 L134 L135 Q139 F140 L141 L166N86-V137 HydrophobicContact CB-CG2 3.34Å; I87-V137 HydrophobicContact CD1-CG1 3.83Å; I87-V137 HydrophobicContact CG1-CB 4.48Å; I87-V137 HydrophobicContact CG1-CG1 3.66Å; I87-V137 HydrophobicContact CG1-CG2 3.98Å; A133-V137 WeakPolarHBondContact O-CG2 3.43Å; A133-V137 PolarHBondContact O-N 3.4Å; A133-V137 VanDerWaalsContact O-N 3.14Å; L134-V137 WeakPolarHBondContact O-CB 3.1Å; L134-V137 PolarHBondContact O-N 2.8Å; L135-V137 VanDerWaalsContact C-N 3.35Å; V137-Q139 VanDerWaalsContact C-N 3.35Å; V137-Q139 PolarHBondContact O-N 3.36Å; V137-F140 WeakPolarHBondContact O-CB 3.28Å; V137-F140 PolarHBondContact O-N 2.89Å; V137-L141 HydrophobicContact CG1-CD1 3.98Å; V137-L141 HydrophobicContact CG1-CG 4.21Å; V137-L141 WeakPolarHBondContact O-CG 3.29Å; V137-L141 PolarHBondContact O-N 3.47Å; V137-L166 HydrophobicContact CG1-CB 4.25Å; V137-L166 HydrophobicContact CG1-CD2 3.51Å
138L98.6Very high97.8Very high0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-64.1-40.7179.4-62.2-174.1000111.9L134 L135 F140 L141 H142 L151 D212 I213 A216 A279L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.77Å; L135-L138 HydrophobicContact CD2-CD1 4.43Å; L135-L138 PolarHBondContact O-N 2.8Å; L138-F140 VanDerWaalsContact C-N 3.29Å; L138-F140 PolarHBondContact O-N 2.93Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 2.93Å; L138-H142 WeakPolarHBondContact O-CB 3.26Å; L138-H142 PolarHBondContact O-CD2 3.39Å; L138-H142 PolarHBondContact O-N 2.98Å; L138-L151 HydrophobicContact CD1-CD1 3.83Å; L138-L151 HydrophobicContact CD2-CD1 3.69Å; L138-L151 HydrophobicContact CD2-CD2 4.32Å; L138-L151 HydrophobicContact CG-CD1 4.37Å; L138-D212 HydrophobicContact CD1-CB 4.22Å; L138-D212 HydrophobicContact CD2-CB 4.24Å; L138-I213 HydrophobicContact CD1-CD1 4.19Å; L138-A216 HydrophobicContact CD1-CB 3.96Å; L138-A279 HydrophobicContact CB-CB 4.16Å
139Q98.4Very high97.9Very high78 Ų7831.1 Ų31.136%0.36415%0.154SC..Hα-helixtrans-57.4-44.9173.8-177.4-178.667.500111.1L135 E136 V137 S143 A279 S280 L283L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 3.31Å; E136-Q139 PolarHBondContact O-N 3.09Å; V137-Q139 VanDerWaalsContact C-N 3.35Å; V137-Q139 PolarHBondContact O-N 3.36Å; Q139-S143 WeakPolarHBondContact O-CB 3.47Å; Q139-S143 PolarHBondContact O-N 3.49Å; Q139-A279 HydrophobicContact CB-CB 3.86Å; Q139-S280 PolarHBondContact NE2-OG 2.64Å; Q139-L283 HydrophobicContact CB-CD1 4.28Å
140F98.4Very high97.9Very high38 Ų3826.5 Ų26.517%0.16713%0.133CC..Hα-helixtrans-61.4-53175.2168.7-99.1000112.1V81 Q84 I87 E136 V137 L138 H142 S143 Q144V81-F140 HydrophobicContact CB-CE1 3.98Å; V81-F140 HydrophobicContact CG1-CE1 3.96Å; Q84-F140 HydrophobicContact CG-CD1 3.68Å; Q84-F140 HydrophobicContact CG-CD2 4.2Å; Q84-F140 HydrophobicContact CG-CE1 3.44Å; Q84-F140 VanDerWaalsContact CG-CE1 3.44Å; Q84-F140 HydrophobicContact CG-CE2 3.99Å; Q84-F140 HydrophobicContact CG-CG 4.06Å; Q84-F140 HydrophobicContact CG-CZ 3.59Å; I87-F140 HydrophobicContact CD1-CD1 4.09Å; I87-F140 HydrophobicContact CD1-CE1 4.24Å; E136-F140 PolarHBondContact O-N 3.27Å; V137-F140 WeakPolarHBondContact O-CB 3.28Å; V137-F140 PolarHBondContact O-N 2.89Å; L138-F140 VanDerWaalsContact C-N 3.29Å; L138-F140 PolarHBondContact O-N 2.93Å; F140-H142 VanDerWaalsContact C-N 3.33Å; F140-H142 PolarHBondContact O-N 3.38Å; F140-S143 WeakPolarHBondContact O-CB 3.47Å; F140-S143 PolarHBondContact O-N 3.13Å; F140-S143 PolarHBondContact O-OG 3.31Å; F140-Q144 HydrophobicContact CE2-CG 4.46Å; F140-Q144 HydrophobicContact CZ-CG 4.45Å; F140-Q144 PolarHBondContact O-N 3.32Å
141L98.3Very high97.9Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-59.2-45.7-178.9-67.9179.8000111.4V81 I87 V137 L138 S143 Q144 N145 I146 L166 F169V81-L141 HydrophobicContact CB-CD2 4.41Å; V81-L141 HydrophobicContact CG1-CD2 3.54Å; I87-L141 HydrophobicContact CD1-CD2 4.12Å; V137-L141 HydrophobicContact CG1-CD1 3.98Å; V137-L141 HydrophobicContact CG1-CG 4.21Å; V137-L141 WeakPolarHBondContact O-CG 3.29Å; V137-L141 PolarHBondContact O-N 3.47Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 2.93Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 3.07Å; L141-Q144 CarbonylContact O-C 3.59Å; L141-Q144 WeakPolarHBondContact O-CA 3.37Å; L141-Q144 PolarHBondContact O-N 3.37Å; L141-N145 PolarHBondContact O-N 3.33Å; L141-I146 CarbonylContact C-O 3.58Å; L141-I146 HydrophobicContact CB-CB 4.22Å; L141-I146 HydrophobicContact CB-CG2 4.45Å; L141-I146 HydrophobicContact CD2-CB 4.34Å; L141-I146 HydrophobicContact CD2-CD1 4.4Å; L141-I146 HydrophobicContact CD2-CG2 4.11Å; L141-I146 PolarHBondContact O-N 3.1Å; L141-L166 HydrophobicContact CD1-CD2 4.12Å; L141-F169 HydrophobicContact CD1-CE1 3.95Å; L141-F169 HydrophobicContact CD1-CZ 4.41Å; L141-F169 HydrophobicContact CD2-CE1 4.01Å
142H97.6Very high97.9Very high28 Ų2827.5 Ų27.513%0.1314%0.138CC..Hα-helixtrans-66.4-32.5-179-64.2179000112L138 F140 Q144 N145 I146 T209 D212L138-H142 WeakPolarHBondContact O-CB 3.26Å; L138-H142 PolarHBondContact O-CD2 3.39Å; L138-H142 PolarHBondContact O-N 2.98Å; F140-H142 VanDerWaalsContact C-N 3.33Å; F140-H142 PolarHBondContact O-N 3.38Å; H142-Q144 PolarHBondContact O-N 2.97Å; H142-N145 PolarHBondContact O-N 3.32Å; H142-I146 PolarHBondContact CD2-O 3.23Å; H142-T209 HydrophobicContact CB-CG2 3.98Å; H142-T209 PolarHBondContact CE1-O 3.34Å; H142-T209 PolarHBondContact NE2-O 3.34Å; H142-D212 IonicContact CD2-OD2 3.46Å; H142-D212 IonicContact CE1-OD2 3.65Å; H142-D212 IonicContact NE2-OD2 3.81Å; H142-D212 PolarHBondContact NE2-OD2 3.37Å
143S96.6Very high97.8Very high87 Ų8723.7 Ų23.761%0.60812%0.123SC*.Hα-helixtrans-63.7-24.3172.281.80000113.4Q139 F140 L141Q139-S143 WeakPolarHBondContact O-CB 3.47Å; Q139-S143 PolarHBondContact O-N 3.49Å; F140-S143 WeakPolarHBondContact O-CB 3.47Å; F140-S143 PolarHBondContact O-N 3.13Å; F140-S143 PolarHBondContact O-OG 3.31Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 3.07Å
144Q96.1Very high97.7Very high61 Ų6125.8 Ų25.829%0.28513%0.131SC..THydrogen-bonded Turntrans-96.47.1175-61.7-167.8-27.900112.8F140 L141 H142 I146 Q174F140-Q144 HydrophobicContact CE2-CG 4.46Å; F140-Q144 HydrophobicContact CZ-CG 4.45Å; F140-Q144 PolarHBondContact O-N 3.32Å; L141-Q144 CarbonylContact O-C 3.59Å; L141-Q144 WeakPolarHBondContact O-CA 3.37Å; L141-Q144 PolarHBondContact O-N 3.37Å; H142-Q144 PolarHBondContact O-N 2.97Å; Q144-I146 VanDerWaalsContact C-N 3.25Å; Q144-I146 HydrophobicContact CB-CD1 3.99Å; Q144-I146 HydrophobicContact CB-CG1 4.26Å; Q144-I146 PolarHBondContact O-N 3.45Å; Q144-Q174 PolarHBondContact O-NE2 3.36Å
145N96.7Very high97.6Very high56 Ų5626.3 Ų26.330%0.29913%0.134SC..THydrogen-bonded Turntrans56.335.4-172.8-55.1-76.9000113.2L141 H142 Q174 I175L141-N145 PolarHBondContact O-N 3.33Å; H142-N145 PolarHBondContact O-N 3.32Å; N145-Q174 CarbonylContact O-C 3.57Å; N145-Q174 WeakPolarHBondContact O-CA 3.34Å; N145-I175 HydrophobicContact CB-CG1 4.01Å; N145-I175 WeakPolarHBondContact CB-O 3.21Å; N145-I175 WeakPolarHBondContact O-CG1 3.32Å; N145-I175 PolarHBondContact O-N 3.5Å
146I98Very high97.6Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-97.6128.8172.8-64.6164.3000108.5I77 V81 L141 H142 Q144 A172 V173 Q174I77-I146 HydrophobicContact CG2-CD1 4.46Å; I77-I146 HydrophobicContact CG2-CG2 4.19Å; V81-I146 HydrophobicContact CG1-CD1 3.94Å; L141-I146 CarbonylContact C-O 3.58Å; L141-I146 HydrophobicContact CB-CB 4.22Å; L141-I146 HydrophobicContact CB-CG2 4.45Å; L141-I146 HydrophobicContact CD2-CB 4.34Å; L141-I146 HydrophobicContact CD2-CD1 4.4Å; L141-I146 HydrophobicContact CD2-CG2 4.11Å; L141-I146 PolarHBondContact O-N 3.1Å; H142-I146 PolarHBondContact CD2-O 3.23Å; Q144-I146 VanDerWaalsContact C-N 3.25Å; Q144-I146 HydrophobicContact CB-CD1 3.99Å; Q144-I146 HydrophobicContact CB-CG1 4.26Å; Q144-I146 PolarHBondContact O-N 3.45Å; I146-A172 HydrophobicContact CG2-CB 4.44Å; I146-V173 WeakPolarHBondContact CA-O 3.2Å; I146-Q174 HydrophobicContact CG1-CB 4.06Å; I146-Q174 HydrophobicContact CG1-CG 4.04Å
147V98Very high97.6Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-108.9129.1173.7-166.80000108.3R149 A172 V173 I175 T209 V211V147-R149 HydrophobicContact CB-CG 4.09Å; V147-R149 HydrophobicContact CG1-CG 3.61Å; V147-A172 WeakPolarHBondContact O-CA 3.27Å; V147-V173 PolarHBondContact N-O 3.36Å; V147-V173 PolarHBondContact O-N 3.36Å; V147-I175 HydrophobicContact CG2-CD1 3.98Å; V147-I175 HydrophobicContact CG2-CG1 4.38Å; V147-I175 HydrophobicContact CG2-CG2 4.45Å; V147-T209 HydrophobicContact CG2-CG2 3.85Å; V147-V211 HydrophobicContact CG1-CG2 3.63Å
148H98.4Very high97.5Very high0 Ų023.8 Ų23.80%012%0.122CC..  trans-77.7-43.9-176.6-172.2-80.2000112.9D150 L151 T167 D168 F171 D212H148-D150 PolarHBondContact CE1-O 3.3Å; H148-D150 PolarHBondContact ND1-N 2.89Å; H148-D150 PolarHBondContact O-N 3.03Å; H148-L151 HydrophobicContact CB-CD2 4.03Å; H148-L151 HydrophobicContact CB-CG 4.1Å; H148-L151 PolarHBondContact ND1-N 2.92Å; H148-T167 PolarHBondContact NE2-O 3.03Å; H148-D168 PolarHBondContact CE1-O 3.48Å; H148-D168 PolarHBondContact NE2-O 3.21Å; H148-F171 CarbonylContact O-C 3.58Å; H148-D212 PolarHBondContact N-OD1 2.84Å; H148-D212 PolarHBondContact N-OD2 2.6Å
149R97.6Very high97.2Very high12 Ų1225.1 Ų25.15%0.04513%0.13CC..  trans67.6-16.2175.4-52.9-167.8-67.1163.57118V147 F171 E183 C185 Y207 D212V147-R149 HydrophobicContact CB-CG 4.09Å; V147-R149 HydrophobicContact CG1-CG 3.61Å; R149-F171 HydrophobicContact CB-CB 4.3Å; R149-F171 PolarHBondContact NE-O 3.41Å; R149-F171 PolarHBondContact NH2-O 2.94Å; R149-E183 IonicContact CZ-OE2 3.54Å; R149-E183 IonicContact NH1-OE2 3.39Å; R149-E183 PolarHBondContact NH1-OE2 2.88Å; R149-E183 IonicContact NH2-OE2 2.69Å; R149-E183 PolarHBondContact NH2-OE2 3.45Å; R149-C185 PolarHBondContact NH1-SG 3.16Å; R149-Y207 WeakPolarHBondContact CD-OH 3.45Å; R149-Y207 HydrophobicContact CG-CE2 4.33Å; R149-Y207 PolarHBondContact NH1-OH 3.44Å; R149-Y207 VanDerWaalsContact NH1-OH 3.16Å; R149-D212 PolarHBondContact N-OD1 3.1Å
150D97.1Very high96.8Very high5 Ų526.1 Ų26.13%0.02714%0.138CC..  trans-129.153.8172.7-163.539.8000113.1H148 K152 N155 F171 G186 T187H148-D150 PolarHBondContact CE1-O 3.3Å; H148-D150 PolarHBondContact ND1-N 2.89Å; H148-D150 PolarHBondContact O-N 3.03Å; D150-K152 IonicContact OD1-NZ 2.7Å; D150-K152 VanDerWaalsContact OD2-CE 3.27Å; D150-K152 WeakPolarHBondContact OD2-CE 3.27Å; D150-K152 IonicContact OD2-NZ 2.75Å; D150-K152 PolarHBondContact OD2-NZ 2.74Å; D150-N155 PolarHBondContact O-ND2 3.16Å; D150-N155 PolarHBondContact OD2-ND2 3.18Å; D150-F171 HydrophobicContact CB-CB 4.23Å; D150-F171 HydrophobicContact CB-CD2 3.63Å; D150-F171 HydrophobicContact CB-CE2 4.4Å; D150-F171 HydrophobicContact CB-CG 4.24Å; D150-G186 WeakPolarHBondContact OD1-CA 3.31Å; D150-T187 WeakPolarHBondContact OD1-CB 3.4Å; D150-T187 PolarHBondContact OD1-N 2.91Å; D150-T187 PolarHBondContact OD1-OG1 3.43Å
151L98.4Very high96.4Very high1 Ų130 Ų301%0.00516%0.16CC..  trans-76.9125174.1-66176000111L134 L138 H148 L166 Y190 D212 I219L134-L151 HydrophobicContact CD1-CD2 4.44Å; L138-L151 HydrophobicContact CD1-CD1 3.83Å; L138-L151 HydrophobicContact CD2-CD1 3.69Å; L138-L151 HydrophobicContact CD2-CD2 4.32Å; L138-L151 HydrophobicContact CG-CD1 4.37Å; H148-L151 HydrophobicContact CB-CD2 4.03Å; H148-L151 HydrophobicContact CB-CG 4.1Å; H148-L151 PolarHBondContact ND1-N 2.92Å; L151-L166 HydrophobicContact CD2-CD1 3.52Å; L151-L166 HydrophobicContact CD2-CD2 4.04Å; L151-L166 HydrophobicContact CD2-CG 4.44Å; L151-Y190 WeakPolarHBondContact O-CB 3.49Å; L151-D212 HydrophobicContact CD1-CB 3.69Å; L151-D212 WeakPolarHBondContact CD1-O 3.39Å; L151-I219 HydrophobicContact CB-CD1 4.05Å
152K97.4Very high96Very high32 Ų3232.6 Ų32.614%0.13917%0.173CC..  trans-160160.9175.960.5-174.7164.8-159.60110D150 E154 N155 T187 Y190D150-K152 IonicContact OD1-NZ 2.7Å; D150-K152 VanDerWaalsContact OD2-CE 3.27Å; D150-K152 WeakPolarHBondContact OD2-CE 3.27Å; D150-K152 IonicContact OD2-NZ 2.75Å; D150-K152 PolarHBondContact OD2-NZ 2.74Å; K152-E154 VanDerWaalsContact CB-OE2 3.27Å; K152-E154 WeakPolarHBondContact CB-OE2 3.44Å; K152-E154 HydrophobicContact CD-CB 4.16Å; K152-E154 HydrophobicContact CG-CB 4.09Å; K152-E154 VanDerWaalsContact CG-OE2 3.3Å; K152-E154 WeakPolarHBondContact CG-OE2 3.39Å; K152-E154 PolarHBondContact O-N 2.94Å; K152-N155 VanDerWaalsContact CE-CG 3.47Å; K152-N155 VanDerWaalsContact CE-ND2 3.28Å; K152-N155 WeakPolarHBondContact CE-ND2 3.44Å; K152-N155 WeakPolarHBondContact CE-OD1 3.47Å; K152-N155 HydrophobicContact CG-CB 4.11Å; K152-N155 PolarHBondContact O-N 2.8Å; K152-T187 HydrophobicContact CD-CG2 4.39Å; K152-T187 WeakPolarHBondContact CD-OG1 3.23Å; K152-T187 PolarHBondContact NZ-OG1 3.19Å; K152-Y190 HydrophobicContact CB-CD1 4.36Å; K152-Y190 HydrophobicContact CB-CD2 3.8Å; K152-Y190 HydrophobicContact CB-CE1 4.27Å; K152-Y190 HydrophobicContact CB-CE2 3.65Å; K152-Y190 HydrophobicContact CB-CG 4.16Å
153P97.2Very high95.9Very high1 Ų133.3 Ų33.31%0.00618%0.177CC..G310 helixtrans-57-28.3179.7-25.936.7000114.6L112 F113 N155 I156 Y190 I219L112-P153 WeakPolarHBondContact CB-O 3.43Å; L112-P153 HydrophobicContact CG-CB 4.45Å; L112-P153 PolarHBondContact N-O 2.9Å; F113-P153 HydrophobicContact CB-CB 3.95Å; F113-P153 HydrophobicContact CD2-CB 4.41Å; F113-P153 PolarHBondContact N-O 3.41Å; P153-N155 VanDerWaalsContact C-N 3.28Å; P153-N155 PolarHBondContact O-N 2.92Å; P153-I156 PolarHBondContact O-N 3.31Å; P153-Y190 VanDerWaalsContact CD-CZ 3.44Å; P153-Y190 WeakPolarHBondContact CD-OH 3.43Å; P153-I219 HydrophobicContact CG-CG1 4.38Å
154E95.3Very high95.9Very high57 Ų5729.2 Ų29.227%0.26615%0.149SC..G310 helixtrans-65.6-31.6175.7-58.490.6143.100111.8E111 F113 K152 I156E111-E154 WeakPolarHBondContact OE2-CA 3.36Å; E111-E154 WeakPolarHBondContact OE2-CB 3.47Å; F113-E154 HydrophobicContact CB-CG 3.94Å; F113-E154 HydrophobicContact CD2-CG 4.31Å; F113-E154 HydrophobicContact CG-CG 4.06Å; K152-E154 VanDerWaalsContact CB-OE2 3.27Å; K152-E154 WeakPolarHBondContact CB-OE2 3.44Å; K152-E154 HydrophobicContact CD-CB 4.16Å; K152-E154 HydrophobicContact CG-CB 4.09Å; K152-E154 VanDerWaalsContact CG-OE2 3.3Å; K152-E154 WeakPolarHBondContact CG-OE2 3.39Å; K152-E154 PolarHBondContact O-N 2.94Å; E154-I156 VanDerWaalsContact C-N 3.29Å; E154-I156 PolarHBondContact O-N 3.5Å
155N96.9Very high96Very high12 Ų1227.9 Ų27.96%0.06414%0.142CC..G310 helixtrans-91.212.4179.2-70.5-1.1000112.7D150 K152 P153 T167 D168D150-N155 PolarHBondContact O-ND2 3.16Å; D150-N155 PolarHBondContact OD2-ND2 3.18Å; K152-N155 VanDerWaalsContact CE-CG 3.47Å; K152-N155 VanDerWaalsContact CE-ND2 3.28Å; K152-N155 WeakPolarHBondContact CE-ND2 3.44Å; K152-N155 WeakPolarHBondContact CE-OD1 3.47Å; K152-N155 HydrophobicContact CG-CB 4.11Å; K152-N155 PolarHBondContact O-N 2.8Å; P153-N155 VanDerWaalsContact C-N 3.28Å; P153-N155 PolarHBondContact O-N 2.92Å; N155-T167 HydrophobicContact CB-CG2 4.46Å; N155-T167 VanDerWaalsContact O-CG2 3.31Å; N155-T167 WeakPolarHBondContact O-CG2 3.42Å; N155-T167 PolarHBondContact O-N 3.46Å; N155-D168 HydrophobicContact CB-CB 4.46Å
156I98.3Very high96.1Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-119.9109.4175.3-59.7172000107.7L112 L134 P153 E154 I164 L166 I219L112-I156 HydrophobicContact CB-CB 4.03Å; L112-I156 HydrophobicContact CB-CG2 4.13Å; L112-I156 VanDerWaalsContact CB-O 3.24Å; L112-I156 WeakPolarHBondContact CB-O 3.1Å; L112-I156 HydrophobicContact CD2-CB 4.05Å; L112-I156 HydrophobicContact CD2-CD1 4.08Å; L112-I156 HydrophobicContact CD2-CG2 3.86Å; L112-I156 PolarHBondContact N-O 3.36Å; L134-I156 HydrophobicContact CD1-CD1 4.19Å; L134-I156 HydrophobicContact CD2-CD1 3.97Å; P153-I156 PolarHBondContact O-N 3.31Å; E154-I156 VanDerWaalsContact C-N 3.29Å; E154-I156 PolarHBondContact O-N 3.5Å; I156-I164 HydrophobicContact CG2-CB 3.63Å; I156-I164 HydrophobicContact CG2-CD1 4.15Å; I156-I164 HydrophobicContact CG2-CG2 3.68Å; I156-L166 HydrophobicContact CG1-CD1 4.24Å; I156-I219 HydrophobicContact CD1-CD1 4.03Å; I156-I219 HydrophobicContact CD1-CG2 4.48Å
157L97.2Very high96Very high30 Ų3026.4 Ų26.416%0.15714%0.135CC..EExtended strand (participates in β ladder)trans-93158.3-179.5-57.9179000111.4M107 G110 E111 I164 K165 T167M107-L157 HydrophobicContact CB-CB 3.7Å; M107-L157 HydrophobicContact CB-CD1 3.94Å; M107-L157 HydrophobicContact CB-CG 4.36Å; M107-L157 HydrophobicContact CG-CB 3.6Å; M107-L157 HydrophobicContact CG-CD1 3.68Å; M107-L157 HydrophobicContact CG-CG 4.29Å; G110-L157 CarbonylContact O-C 3.45Å; G110-L157 VanDerWaalsContact O-CA 3.31Å; G110-L157 WeakPolarHBondContact O-CA 3.38Å; E111-L157 HydrophobicContact CB-CD2 4.49Å; E111-L157 HydrophobicContact CG-CD2 3.84Å; L157-I164 CarbonylContact O-C 3.59Å; L157-I164 VanDerWaalsContact O-CA 3.23Å; L157-I164 WeakPolarHBondContact O-CA 3.32Å; L157-K165 PolarHBondContact N-O 3.16Å; L157-K165 PolarHBondContact O-N 3.12Å; L157-T167 HydrophobicContact CD1-CG2 3.93Å; L157-T167 HydrophobicContact CD2-CG2 4.39Å; L157-T167 HydrophobicContact CG-CG2 3.77Å
158L96.3Very high95.8Very high1 Ų128.4 Ų28.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-115.3132.4179.6-66.7166.3000111.1K109 G110 L112 Y115 M162 N163 I164K109-L158 HydrophobicContact CB-CB 3.59Å; K109-L158 WeakPolarHBondContact CB-O 3.45Å; K109-L158 PolarHBondContact N-O 3.1Å; G110-L158 PolarHBondContact O-N 3.04Å; L112-L158 HydrophobicContact CD1-CD1 4.26Å; Y115-L158 HydrophobicContact CD1-CD1 4.11Å; Y115-L158 HydrophobicContact CD2-CD1 4.43Å; Y115-L158 HydrophobicContact CG-CD1 3.77Å; L158-M162 HydrophobicContact CD1-CE 3.83Å; L158-M162 HydrophobicContact CD2-CE 4.32Å; L158-N163 WeakPolarHBondContact CA-O 3.17Å; L158-I164 HydrophobicContact CD2-CG2 3.91Å
159D93Very high95.6Very high29 Ų2928.4 Ų28.416%0.15515%0.146CC..  trans-83177.7170.278.92.4000112M107 K109 N161 M162 N163M107-D159 HydrophobicContact SD-CB 4.16Å; K109-D159 WeakPolarHBondContact CG-O 3.32Å; D159-N161 PolarHBondContact O-N 3.49Å; D159-N161 VanDerWaalsContact O-N 3.11Å; D159-N161 VanDerWaalsContact OD1-C 3.25Å; D159-N161 VanDerWaalsContact OD1-CA 3.29Å; D159-N161 WeakPolarHBondContact OD1-CA 3.3Å; D159-N161 WeakPolarHBondContact OD1-CB 3.27Å; D159-N161 PolarHBondContact OD1-N 3.19Å; D159-M162 PolarHBondContact O-N 3.14Å; D159-M162 VanDerWaalsContact O-N 3.09Å; D159-M162 PolarHBondContact OD1-N 3.23Å; D159-N163 PolarHBondContact N-O 3.23Å; D159-N163 PolarHBondContact OD1-N 2.65Å; D159-N163 WeakPolarHBondContact OD2-CB 3.44Å; D159-N163 PolarHBondContact OD2-ND2 2.92Å; D159-N163 VanDerWaalsContact OD2-ND2 3.09Å
160D89.6Confident95.4Very high99 Ų9929.1 Ų29.153%0.52916%0.157SC..THydrogen-bonded Turntrans-60.2-21.8179.5-70.4-42000113.9
161N90.5Very high95.3Very high118 Ų11832.7 Ų32.763%0.63117%0.172SC*.THydrogen-bonded Turntrans-99.19.6-178.6-61.6-37.6000112.8K129 D159 N163K129-N161 PolarHBondContact NZ-O 3.37Å; D159-N161 PolarHBondContact O-N 3.49Å; D159-N161 VanDerWaalsContact O-N 3.11Å; D159-N161 VanDerWaalsContact OD1-C 3.25Å; D159-N161 VanDerWaalsContact OD1-CA 3.29Å; D159-N161 WeakPolarHBondContact OD1-CA 3.3Å; D159-N161 WeakPolarHBondContact OD1-CB 3.27Å; D159-N161 PolarHBondContact OD1-N 3.19Å; N161-N163 WeakPolarHBondContact CB-ND2 3.49Å; N161-N163 PolarHBondContact O-N 2.92Å
162M90.8Very high95.3Very high56 Ų5632.9 Ų32.928%0.27617%0.174SC..SBendtrans57.135.6-174.9-55.2-64.5-60.100112.3K109 Y115 K129 L158 D159K109-M162 HydrophobicContact CG-SD 4.3Å; Y115-M162 HydrophobicContact CD1-CE 3.98Å; Y115-M162 HydrophobicContact CD2-CE 3.64Å; Y115-M162 HydrophobicContact CE1-CE 3.68Å; Y115-M162 HydrophobicContact CE2-CE 3.31Å; Y115-M162 HydrophobicContact CE2-SD 4.48Å; Y115-M162 HydrophobicContact CG-CE 3.96Å; K129-M162 PolarHBondContact NZ-O 3.47Å; K129-M162 VanDerWaalsContact NZ-O 3.11Å; L158-M162 HydrophobicContact CD1-CE 3.83Å; L158-M162 HydrophobicContact CD2-CE 4.32Å; D159-M162 PolarHBondContact O-N 3.14Å; D159-M162 VanDerWaalsContact O-N 3.09Å; D159-M162 PolarHBondContact OD1-N 3.23Å
163N94.6Very high95.2Very high42 Ų4233.1 Ų33.123%0.22518%0.179CC..  trans-92.4151.3163.2-50.4-47.6000108.7K129 L158 D159 N161K129-N163 WeakPolarHBondContact CE-OD1 3.21Å; K129-N163 PolarHBondContact NZ-OD1 2.87Å; L158-N163 WeakPolarHBondContact CA-O 3.17Å; D159-N163 PolarHBondContact N-O 3.23Å; D159-N163 PolarHBondContact OD1-N 2.65Å; D159-N163 WeakPolarHBondContact OD2-CB 3.44Å; D159-N163 PolarHBondContact OD2-ND2 2.92Å; D159-N163 VanDerWaalsContact OD2-ND2 3.09Å; N161-N163 WeakPolarHBondContact CB-ND2 3.49Å; N161-N163 PolarHBondContact O-N 2.92Å
164I97.7Very high95.2Very high2 Ų237.1 Ų37.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-89.9151.1-177.566.6162.5000111.8N86 I130 A133 L134 I156 L157 L158N86-I164 PolarHBondContact OD1-O 3.27Å; I130-I164 HydrophobicContact CB-CG2 4.41Å; I130-I164 HydrophobicContact CG1-CG2 4.08Å; I130-I164 HydrophobicContact CG2-CG2 4.04Å; A133-I164 HydrophobicContact CB-CD1 3.78Å; A133-I164 HydrophobicContact CB-CG1 3.61Å; L134-I164 HydrophobicContact CB-CD1 3.77Å; I156-I164 HydrophobicContact CG2-CB 3.63Å; I156-I164 HydrophobicContact CG2-CD1 4.15Å; I156-I164 HydrophobicContact CG2-CG2 3.68Å; L157-I164 CarbonylContact O-C 3.59Å; L157-I164 VanDerWaalsContact O-CA 3.23Å; L157-I164 WeakPolarHBondContact O-CA 3.32Å; L158-I164 HydrophobicContact CD2-CG2 3.91Å
165K98Very high95.2Very high32 Ų3235.1 Ų35.114%0.13919%0.188CC..EExtended strand (participates in β ladder)trans-127.3116.5163-60.3-71.1-177.7167.40108.3E85 N86 I88 M107 L157E85-K165 WeakPolarHBondContact O-CD 3.48Å; E85-K165 WeakPolarHBondContact O-CE 3.04Å; E85-K165 PolarHBondContact O-NZ 3.43Å; N86-K165 CarbonylContact O-C 3.58Å; N86-K165 WeakPolarHBondContact O-CA 3.3Å; I88-K165 HydrophobicContact CD1-CB 4.45Å; M107-K165 HydrophobicContact CE-CG 4.03Å; M107-K165 HydrophobicContact SD-CB 4.21Å; M107-K165 HydrophobicContact SD-CG 3.54Å; M107-K165 VanDerWaalsContact SD-CG 3.54Å; L157-K165 PolarHBondContact N-O 3.16Å; L157-K165 PolarHBondContact O-N 3.12Å
166L98.4Very high95Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-68132170.4-177.363.8000109.3N86 I88 L134 V137 L141 L151 I156 F169N86-L166 PolarHBondContact O-N 3.29Å; I88-L166 WeakPolarHBondContact CG2-O 3.28Å; I88-L166 PolarHBondContact N-O 3.04Å; L134-L166 HydrophobicContact CD1-CD1 4.38Å; V137-L166 HydrophobicContact CG1-CB 4.25Å; V137-L166 HydrophobicContact CG1-CD2 3.51Å; L141-L166 HydrophobicContact CD1-CD2 4.12Å; L151-L166 HydrophobicContact CD2-CD1 3.52Å; L151-L166 HydrophobicContact CD2-CD2 4.04Å; L151-L166 HydrophobicContact CD2-CG 4.44Å; I156-L166 HydrophobicContact CG1-CD1 4.24Å; L166-F169 HydrophobicContact CD2-CZ 4.17Å; L166-F169 HydrophobicContact CG-CZ 4.37Å
167T96.1Very high94.5Very high25 Ų2546.6 Ų46.615%0.15325%0.251CS..  trans-129.8177.3-179.6-168.40000111.3H148 N155 L157H148-T167 PolarHBondContact NE2-O 3.03Å; N155-T167 HydrophobicContact CB-CG2 4.46Å; N155-T167 VanDerWaalsContact O-CG2 3.31Å; N155-T167 WeakPolarHBondContact O-CG2 3.42Å; N155-T167 PolarHBondContact O-N 3.46Å; L157-T167 HydrophobicContact CD1-CG2 3.93Å; L157-T167 HydrophobicContact CD2-CG2 4.39Å; L157-T167 HydrophobicContact CG-CG2 3.77Å
168D92.3Very high93.8Very high42 Ų4249.1 Ų49.123%0.22528%0.284CS..  trans62.373.1173.8-156.823.3000115.2K49 H148 N155 G170K49-D168 IonicContact NZ-OD1 3.54Å; K49-D168 PolarHBondContact NZ-OD1 2.79Å; H148-D168 PolarHBondContact CE1-O 3.48Å; H148-D168 PolarHBondContact NE2-O 3.21Å; N155-D168 HydrophobicContact CB-CB 4.46Å; D168-G170 PolarHBondContact O-N 3.06Å
169F96.2Very high93.7Very high0 Ų053.3 Ų53.30%030%0.304CS..G310 helixtrans-85.315.6177.3-72.2-100.7000112.8E74 I77 L78 V81 I87 L141 L166 F171 A172E74-F169 HydrophobicContact CG-CB 4.19Å; I77-F169 HydrophobicContact CG2-CB 4.32Å; I77-F169 HydrophobicContact CG2-CD1 3.58Å; I77-F169 HydrophobicContact CG2-CE1 4.26Å; I77-F169 HydrophobicContact CG2-CG 4.23Å; L78-F169 HydrophobicContact CD2-CB 4.43Å; L78-F169 HydrophobicContact CD2-CD2 3.62Å; L78-F169 HydrophobicContact CD2-CE2 4.18Å; L78-F169 HydrophobicContact CD2-CG 4.19Å; L78-F169 HydrophobicContact CG-CB 4.39Å; L78-F169 HydrophobicContact CG-CD2 4.45Å; V81-F169 HydrophobicContact CG2-CZ 4.38Å; I87-F169 HydrophobicContact CD1-CZ 4.4Å; I87-F169 HydrophobicContact CG2-CE2 3.67Å; I87-F169 HydrophobicContact CG2-CZ 3.66Å; L141-F169 HydrophobicContact CD1-CE1 3.95Å; L141-F169 HydrophobicContact CD1-CZ 4.41Å; L141-F169 HydrophobicContact CD2-CE1 4.01Å; L166-F169 HydrophobicContact CD2-CZ 4.17Å; L166-F169 HydrophobicContact CG-CZ 4.37Å; F169-F171 PolarHBondContact O-N 3.41Å; F169-A172 HydrophobicContact CB-CB 3.93Å; F169-A172 HydrophobicContact CD1-CB 3.73Å; F169-A172 HydrophobicContact CG-CB 4.29Å; F169-A172 WeakPolarHBondContact O-CB 3.4Å; F169-A172 PolarHBondContact O-N 3.19Å
170G93.2Very high93.7Very high28 Ų2855.1 Ų55.129%0.28932%0.316SS..G310 helixtrans-60.8-26.8-177.400000114.1D168D168-G170 PolarHBondContact O-N 3.06Å
171F94.6Very high94Very high79 Ų7951.4 Ų51.435%0.34630%0.296SS..G310 helixtrans-98.3-4.2172.5-67.1-73.8000113.4H148 R149 D150 F169 C185H148-F171 CarbonylContact O-C 3.58Å; R149-F171 HydrophobicContact CB-CB 4.3Å; R149-F171 PolarHBondContact NE-O 3.41Å; R149-F171 PolarHBondContact NH2-O 2.94Å; D150-F171 HydrophobicContact CB-CB 4.23Å; D150-F171 HydrophobicContact CB-CD2 3.63Å; D150-F171 HydrophobicContact CB-CE2 4.4Å; D150-F171 HydrophobicContact CB-CG 4.24Å; F169-F171 PolarHBondContact O-N 3.41Å; F171-C185 HydrophobicContact CD1-CB 3.6Å; F171-C185 HydrophobicContact CE1-CB 3.84Å; F171-C185 HydrophobicContact CG-CB 4.5Å
172A97.2Very high94.2Very high5 Ų551 Ų514%0.04129%0.288CS..  trans-70144.3-175.300000111.2I77 I146 V147 F169I77-A172 HydrophobicContact CD1-CB 3.69Å; I77-A172 WeakPolarHBondContact CD1-O 3.46Å; I77-A172 HydrophobicContact CG2-CB 4.29Å; I146-A172 HydrophobicContact CG2-CB 4.44Å; V147-A172 WeakPolarHBondContact O-CA 3.27Å; F169-A172 HydrophobicContact CB-CB 3.93Å; F169-A172 HydrophobicContact CD1-CB 3.73Å; F169-A172 HydrophobicContact CG-CB 4.29Å; F169-A172 WeakPolarHBondContact O-CB 3.4Å; F169-A172 PolarHBondContact O-N 3.19Å
173V96.4Very high94.4Very high38 Ų3853.5 Ų53.523%0.2330%0.3CS..EExtended strand (participates in β ladder)trans-139.3138.2177.3171.50000109.6I146 V147 I175 L181I146-V173 WeakPolarHBondContact CA-O 3.2Å; V147-V173 PolarHBondContact N-O 3.36Å; V147-V173 PolarHBondContact O-N 3.36Å; V173-I175 HydrophobicContact CG1-CG2 4.2Å; V173-L181 HydrophobicContact CB-CD1 4.5Å; V173-L181 HydrophobicContact CG1-CD2 4.24Å
174Q96.6Very high94.3Very high85 Ų8554.9 Ų54.940%0.39731%0.309SS..EExtended strand (participates in β ladder)trans-87.7119.7166.8-169.1171.727.100109.7Q144 N145 I146Q144-Q174 PolarHBondContact O-NE2 3.36Å; N145-Q174 CarbonylContact O-C 3.57Å; N145-Q174 WeakPolarHBondContact O-CA 3.34Å; I146-Q174 HydrophobicContact CG1-CB 4.06Å; I146-Q174 HydrophobicContact CG1-CG 4.04Å
175I95.1Very high94.1Very high14 Ų1455.3 Ų55.37%0.07231%0.312CS..PPolyproline II helixtrans-98.2150.3178.462.8176.9000110.6N145 V147 V173 Q179 L181N145-I175 HydrophobicContact CB-CG1 4.01Å; N145-I175 WeakPolarHBondContact CB-O 3.21Å; N145-I175 WeakPolarHBondContact O-CG1 3.32Å; N145-I175 PolarHBondContact O-N 3.5Å; V147-I175 HydrophobicContact CG2-CD1 3.98Å; V147-I175 HydrophobicContact CG2-CG1 4.38Å; V147-I175 HydrophobicContact CG2-CG2 4.45Å; V173-I175 HydrophobicContact CG1-CG2 4.2Å; I175-Q179 HydrophobicContact CB-CB 4.38Å; I175-L181 HydrophobicContact CG2-CD1 3.86Å; I175-L181 HydrophobicContact CG2-CD2 3.87Å; I175-L181 HydrophobicContact CG2-CG 3.82Å
176Q92.9Very high93.8Very high143 Ų14354.9 Ų54.967%0.66832%0.317SS*.PPolyproline II helixtrans-73.4152.5167.6-63.5-177.17.100110.3G178 Q179Q176-G178 PolarHBondContact O-N 2.91Å; Q176-G178 VanDerWaalsContact O-N 3.14Å; Q176-Q179 HydrophobicContact CB-CB 4.11Å; Q176-Q179 VanDerWaalsContact O-CB 3.23Å; Q176-Q179 WeakPolarHBondContact O-CB 3.36Å; Q176-Q179 PolarHBondContact O-N 3.16Å
177P87.3Confident93.6Very high110 Ų11056.7 Ų56.771%0.71433%0.328SS*.THydrogen-bonded Turntrans-53.6122.4174.1-26.635.3000111.6Q179P177-Q179 VanDerWaalsContact C-N 3.3Å; P177-Q179 PolarHBondContact O-N 2.7Å
178G83.9Confident93.5Very high83 Ų8357.8 Ų57.886%0.85634%0.335SS*.THydrogen-bonded Turntrans83.1-5.4-177.900000115.5Q176Q176-G178 PolarHBondContact O-N 2.91Å; Q176-G178 VanDerWaalsContact O-N 3.14Å
179Q92.5Very high93.7Very high90 Ų9056.5 Ų56.542%0.42133%0.332SS..  trans-74.3143170.6-175.8-176.33.600110.3I175 Q176 P177I175-Q179 HydrophobicContact CB-CB 4.38Å; Q176-Q179 HydrophobicContact CB-CB 4.11Å; Q176-Q179 VanDerWaalsContact O-CB 3.23Å; Q176-Q179 WeakPolarHBondContact O-CB 3.36Å; Q176-Q179 PolarHBondContact O-N 3.16Å; P177-Q179 VanDerWaalsContact C-N 3.3Å; P177-Q179 PolarHBondContact O-N 2.7Å
180T94.3Very high93.8Very high67 Ų6757.7 Ų57.741%0.41134%0.337SS..  trans-117.8158.6173.457.80000111.4Q205 Y207T180-Q205 WeakPolarHBondContact CB-O 3.42Å; T180-Q205 WeakPolarHBondContact CG2-O 3.3Å; T180-Q205 PolarHBondContact OG1-O 3.25Å; T180-Y207 WeakPolarHBondContact CA-O 3.36Å
181L95.2Very high94Very high20 Ų2057 Ų5711%0.10533%0.326CS..BIsolated β-bridgetrans-107150176.8-60.5172.9000109.9V173 I175 G206 Y207V173-L181 HydrophobicContact CB-CD1 4.5Å; V173-L181 HydrophobicContact CG1-CD2 4.24Å; I175-L181 HydrophobicContact CG2-CD1 3.86Å; I175-L181 HydrophobicContact CG2-CD2 3.87Å; I175-L181 HydrophobicContact CG2-CG 3.82Å; L181-G206 CarbonylContact O-C 3.36Å; L181-G206 WeakPolarHBondContact O-CA 3.46Å; L181-Y207 HydrophobicContact CB-CD1 4.32Å; L181-Y207 HydrophobicContact CB-CD2 4.01Å; L181-Y207 HydrophobicContact CB-CE1 3.89Å; L181-Y207 HydrophobicContact CB-CE2 3.53Å; L181-Y207 HydrophobicContact CB-CG 4.37Å; L181-Y207 VanDerWaalsContact CB-CZ 3.45Å; L181-Y207 HydrophobicContact CD1-CD2 4.45Å; L181-Y207 HydrophobicContact CD1-CE2 3.74Å; L181-Y207 HydrophobicContact CG-CE2 4.25Å; L181-Y207 PolarHBondContact N-O 2.89Å; L181-Y207 WeakPolarHBondContact O-CD1 3.32Å; L181-Y207 WeakPolarHBondContact O-CE1 3.43Å; L181-Y207 PolarHBondContact O-N 3.46Å
182K95.5Very high94.1Very high109 Ų10953.2 Ų53.247%0.47431%0.31SS..  trans-125.9-10.5176.9-64.4-168.8175.2-159.70113.9C198 A202 H204K182-C198 WeakPolarHBondContact O-CB 3.31Å; K182-A202 PolarHBondContact NZ-O 3.46Å; K182-A202 VanDerWaalsContact NZ-O 3.11Å; K182-H204 WeakPolarHBondContact CE-O 3.38Å; K182-H204 PolarHBondContact NZ-O 3.33Å
183E93.6Very high94.2Very high110 Ų11053 Ų5351%0.51431%0.308SS..  trans-65.7132.3-179.2-177.2-170.7-170.200110.7R149 C185 Y207R149-E183 IonicContact CZ-OE2 3.54Å; R149-E183 IonicContact NH1-OE2 3.39Å; R149-E183 PolarHBondContact NH1-OE2 2.88Å; R149-E183 IonicContact NH2-OE2 2.69Å; R149-E183 PolarHBondContact NH2-OE2 3.45Å; E183-C185 HydrophobicContact CG-CB 4.5Å; E183-Y207 VanDerWaalsContact O-CE1 3.25Å; E183-Y207 WeakPolarHBondContact O-CE1 3.41Å; E183-Y207 VanDerWaalsContact O-CZ 3.32Å; E183-Y207 PolarHBondContact O-OH 3.15Å
184V93.6Very high94.2Very high71 Ų7151.2 Ų51.243%0.4330%0.297SS..  trans-90.9109.5173.51790000109.2I195V184-I195 HydrophobicContact CB-CG2 4.33Å; V184-I195 HydrophobicContact CG1-CG2 4.1Å; V184-I195 HydrophobicContact CG2-CG2 4.17Å; V184-I195 VanDerWaalsContact CG2-O 3.3Å; V184-I195 WeakPolarHBondContact CG2-O 3.41Å
185C93.1Very high94.3Very high11 Ų1147.3 Ų47.37%0.07428%0.279CS..  trans-144.2163.3179.761.70000110R149 F171 E183 L191R149-C185 PolarHBondContact NH1-SG 3.16Å; F171-C185 HydrophobicContact CD1-CB 3.6Å; F171-C185 HydrophobicContact CE1-CB 3.84Å; F171-C185 HydrophobicContact CG-CB 4.5Å; E183-C185 HydrophobicContact CG-CB 4.5Å; C185-L191 WeakPolarHBondContact O-CD2 3.48Å
186G92.7Very high94.3Very high23 Ų2347.1 Ų47.124%0.23728%0.278CS..SBendtrans98.1177.3-177.700000114.1D150D150-G186 WeakPolarHBondContact OD1-CA 3.31Å
187T93.3Very high94.4Very high38 Ų3843.7 Ų43.723%0.23326%0.262CS..  trans-84.5124.4-170.6-55.20000111.5D150 K152 G189 Y190 L191D150-T187 WeakPolarHBondContact OD1-CB 3.4Å; D150-T187 PolarHBondContact OD1-N 2.91Å; D150-T187 PolarHBondContact OD1-OG1 3.43Å; K152-T187 HydrophobicContact CD-CG2 4.39Å; K152-T187 WeakPolarHBondContact CD-OG1 3.23Å; K152-T187 PolarHBondContact NZ-OG1 3.19Å; T187-G189 VanDerWaalsContact C-N 3.32Å; T187-G189 PolarHBondContact O-N 2.9Å; T187-Y190 HydrophobicContact CG2-CD2 3.99Å; T187-Y190 HydrophobicContact CG2-CE2 4.38Å; T187-Y190 PolarHBondContact O-N 2.9Å; T187-L191 PolarHBondContact O-N 2.86Å
188P94Very high94.7Very high47 Ų4739.1 Ų39.131%0.30523%0.233SC..G310 helixtrans-49.2-39.1-168.1-33.136000117.4Y190 L191 I242P188-Y190 PolarHBondContact O-N 2.93Å; P188-L191 PolarHBondContact O-N 3.18Å; P188-I242 VanDerWaalsContact O-CD1 3.27Å; P188-I242 WeakPolarHBondContact O-CD1 3.01Å
189G96Very high95Very high15 Ų1539.1 Ų39.116%0.15522%0.219CC..G310 helixtrans-71.1-13.8-179.400000115T187T187-G189 VanDerWaalsContact C-N 3.32Å; T187-G189 PolarHBondContact O-N 2.9Å
190Y98.1Very high94.9Very high25 Ų2541 Ų4110%0.09823%0.229CC..G310 helixtrans-112.9-2.4-178.1-59.6-87.2000112.7L151 K152 P153 T187 P188 S215 V218 I219L151-Y190 WeakPolarHBondContact O-CB 3.49Å; K152-Y190 HydrophobicContact CB-CD1 4.36Å; K152-Y190 HydrophobicContact CB-CD2 3.8Å; K152-Y190 HydrophobicContact CB-CE1 4.27Å; K152-Y190 HydrophobicContact CB-CE2 3.65Å; K152-Y190 HydrophobicContact CB-CG 4.16Å; P153-Y190 VanDerWaalsContact CD-CZ 3.44Å; P153-Y190 WeakPolarHBondContact CD-OH 3.43Å; T187-Y190 HydrophobicContact CG2-CD2 3.99Å; T187-Y190 HydrophobicContact CG2-CE2 4.38Å; T187-Y190 PolarHBondContact O-N 2.9Å; P188-Y190 PolarHBondContact O-N 2.93Å; Y190-S215 PolarHBondContact O-OG 3.16Å; Y190-V218 HydrophobicContact CD1-CB 3.85Å; Y190-V218 HydrophobicContact CD1-CG1 3.41Å; Y190-V218 VanDerWaalsContact CD1-CG1 3.41Å; Y190-V218 HydrophobicContact CE1-CB 4.3Å; Y190-V218 HydrophobicContact CE1-CG1 3.57Å; Y190-V218 HydrophobicContact CG-CG1 4.26Å; Y190-I219 HydrophobicContact CD1-CG1 4.2Å; Y190-I219 HydrophobicContact CE1-CG1 3.96Å
191L97.9Very high94.7Very high13 Ų1342 Ų427%0.06823%0.232CC..  trans-65.3136.3178.3-64.8179.6000110.9C185 T187 P188 I195 I196 W214 I242C185-L191 WeakPolarHBondContact O-CD2 3.48Å; T187-L191 PolarHBondContact O-N 2.86Å; P188-L191 PolarHBondContact O-N 3.18Å; L191-I195 HydrophobicContact CD2-CD1 4.24Å; L191-I195 HydrophobicContact CD2-CG2 4.27Å; L191-I196 HydrophobicContact CB-CD1 4.43Å; L191-I196 HydrophobicContact CB-CG1 4.27Å; L191-I196 HydrophobicContact CD1-CG1 4.4Å; L191-W214 PolarHBondContact O-NE1 2.88Å; L191-I242 WeakPolarHBondContact O-CG2 3.35Å
192A98.1Very high94.2Very high0 Ų045.4 Ų45.40%026%0.264CS..  trans-74.6151.3170.900000111.1E194 I195 I196 V211 W214A192-E194 VanDerWaalsContact C-N 3.27Å; A192-E194 HydrophobicContact CB-CG 4.43Å; A192-E194 WeakPolarHBondContact CB-OE2 3.48Å; A192-E194 PolarHBondContact O-N 3.33Å; A192-I195 HydrophobicContact CB-CD1 4.46Å; A192-I195 HydrophobicContact CB-CG1 4.44Å; A192-I195 PolarHBondContact O-N 3.29Å; A192-I195 VanDerWaalsContact O-N 3.09Å; A192-I196 PolarHBondContact O-N 3.46Å; A192-V211 HydrophobicContact CB-CB 3.96Å; A192-V211 HydrophobicContact CB-CG1 3.95Å; A192-W214 VanDerWaalsContact CA-CD1 3.48Å; A192-W214 HydrophobicContact CB-CB 3.78Å; A192-W214 HydrophobicContact CB-CD2 4.38Å; A192-W214 HydrophobicContact CB-CG 3.77Å
193P98Very high93.9Very high0 Ų043 Ų430%027%0.27CS..Hα-helixtrans-52.1-44.2-180-28.737.1000113.1I195 I196 E197 W214 I242 L243 V271P193-I195 VanDerWaalsContact C-N 3.26Å; P193-I195 PolarHBondContact O-N 2.99Å; P193-I196 WeakPolarHBondContact O-CB 3.32Å; P193-I196 PolarHBondContact O-N 3.28Å; P193-E197 WeakPolarHBondContact O-CG 3.07Å; P193-E197 PolarHBondContact O-N 2.84Å; P193-W214 HydrophobicContact CG-CE3 4.27Å; P193-W214 HydrophobicContact CG-CH2 3.6Å; P193-W214 HydrophobicContact CG-CZ2 3.92Å; P193-W214 HydrophobicContact CG-CZ3 3.79Å; P193-I242 HydrophobicContact CG-CG2 4.11Å; P193-I242 WeakPolarHBondContact CG-O 3.25Å; P193-L243 HydrophobicContact CB-CD2 4.38Å; P193-V271 HydrophobicContact CB-CG1 4.02Å; P193-V271 HydrophobicContact CG-CB 4.48Å; P193-V271 HydrophobicContact CG-CG1 4.15Å; P193-V271 HydrophobicContact CG-CG2 4.38Å
194E97.7Very high93.8Very high2 Ų239.8 Ų39.81%0.00926%0.255CS..Hα-helixtrans-66.8-22.3-177.265.2-89.7-153.700113.8A192 C198 V211 P273 R276A192-E194 VanDerWaalsContact C-N 3.27Å; A192-E194 HydrophobicContact CB-CG 4.43Å; A192-E194 WeakPolarHBondContact CB-OE2 3.48Å; A192-E194 PolarHBondContact O-N 3.33Å; E194-C198 PolarHBondContact O-N 2.92Å; E194-C198 PolarHBondContact O-SG 2.82Å; E194-V211 HydrophobicContact CG-CG1 4.04Å; E194-V211 WeakPolarHBondContact OE1-CG1 3.22Å; E194-P273 HydrophobicContact CG-CG 4.45Å; E194-R276 IonicContact OE1-CZ 3.04Å; E194-R276 IonicContact OE1-NH1 2.81Å; E194-R276 PolarHBondContact OE1-NH1 2.85Å; E194-R276 IonicContact OE1-NH2 3.69Å; E194-R276 PolarHBondContact OE1-NH2 3.5Å; E194-R276 IonicContact OE2-CZ 3.03Å; E194-R276 IonicContact OE2-NH1 3.28Å; E194-R276 IonicContact OE2-NH2 2.92Å; E194-R276 PolarHBondContact OE2-NH2 3.14Å
195I96.9Very high93.7Very high2 Ų242.9 Ų42.91%0.0127%0.265CS..Hα-helixtrans-71.2-44.3171.4-61.9177.4000109.3V184 L191 A192 P193 E197 C198 Y207 V211V184-I195 HydrophobicContact CB-CG2 4.33Å; V184-I195 HydrophobicContact CG1-CG2 4.1Å; V184-I195 HydrophobicContact CG2-CG2 4.17Å; V184-I195 VanDerWaalsContact CG2-O 3.3Å; V184-I195 WeakPolarHBondContact CG2-O 3.41Å; L191-I195 HydrophobicContact CD2-CD1 4.24Å; L191-I195 HydrophobicContact CD2-CG2 4.27Å; A192-I195 HydrophobicContact CB-CD1 4.46Å; A192-I195 HydrophobicContact CB-CG1 4.44Å; A192-I195 PolarHBondContact O-N 3.29Å; A192-I195 VanDerWaalsContact O-N 3.09Å; P193-I195 VanDerWaalsContact C-N 3.26Å; P193-I195 PolarHBondContact O-N 2.99Å; I195-E197 VanDerWaalsContact C-N 3.34Å; I195-C198 WeakPolarHBondContact O-CB 3.33Å; I195-C198 PolarHBondContact O-N 2.9Å; I195-Y207 HydrophobicContact CB-CD1 4.43Å; I195-Y207 HydrophobicContact CB-CE1 4.47Å; I195-Y207 HydrophobicContact CD1-CE2 4.47Å; I195-Y207 HydrophobicContact CG1-CD1 3.83Å; I195-Y207 HydrophobicContact CG1-CD2 4.17Å; I195-Y207 HydrophobicContact CG1-CE1 3.97Å; I195-Y207 HydrophobicContact CG1-CE2 4.31Å; I195-Y207 HydrophobicContact CG1-CG 3.94Å; I195-Y207 HydrophobicContact CG2-CE1 4.32Å; I195-V211 HydrophobicContact CD1-CB 3.86Å; I195-V211 HydrophobicContact CD1-CG1 3.81Å; I195-V211 HydrophobicContact CD1-CG2 4.25Å; I195-V211 HydrophobicContact CG1-CB 4.34Å; I195-V211 HydrophobicContact CG1-CG1 3.73Å
196I96Very high93.8Very high10 Ų1042.9 Ų42.95%0.05127%0.267CS..Hα-helixtrans-64.8-43.1-180-57.3168.5000109.6L191 A192 P193 C198 S199 M200 L239 I242 L243L191-I196 HydrophobicContact CB-CD1 4.43Å; L191-I196 HydrophobicContact CB-CG1 4.27Å; L191-I196 HydrophobicContact CD1-CG1 4.4Å; A192-I196 PolarHBondContact O-N 3.46Å; P193-I196 WeakPolarHBondContact O-CB 3.32Å; P193-I196 PolarHBondContact O-N 3.28Å; I196-C198 VanDerWaalsContact C-N 3.27Å; I196-C198 PolarHBondContact O-N 3.13Å; I196-S199 PolarHBondContact O-N 3.04Å; I196-S199 PolarHBondContact O-OG 3.33Å; I196-M200 HydrophobicContact CG2-SD 4.19Å; I196-L239 HydrophobicContact CD1-CB 4.45Å; I196-L239 HydrophobicContact CD1-CD2 3.73Å; I196-L239 HydrophobicContact CG1-CD2 4.31Å; I196-I242 HydrophobicContact CD1-CB 4Å; I196-I242 HydrophobicContact CD1-CD1 4.38Å; I196-I242 HydrophobicContact CD1-CG2 3.53Å; I196-L243 HydrophobicContact CB-CD2 3.94Å; I196-L243 HydrophobicContact CB-CG 4.46Å; I196-L243 HydrophobicContact CD1-CG 4.42Å; I196-L243 HydrophobicContact CG2-CD1 4.04Å; I196-L243 HydrophobicContact CG2-CD2 3.96Å; I196-L243 HydrophobicContact CG2-CG 4.13Å
197E95.5Very high93.9Very high71 Ų7142.1 Ų42.133%0.33226%0.257SS..Hα-helixtrans-58.8-34.9177.8-70.3174.8153.300112.7P193 I195 S199 M200 D201 H204 L243P193-E197 WeakPolarHBondContact O-CG 3.07Å; P193-E197 PolarHBondContact O-N 2.84Å; I195-E197 VanDerWaalsContact C-N 3.34Å; E197-S199 PolarHBondContact O-N 2.9Å; E197-M200 PolarHBondContact O-N 3.4Å; E197-D201 PolarHBondContact O-N 2.88Å; E197-H204 IonicContact OE2-NE2 3.94Å; E197-L243 HydrophobicContact CG-CD2 3.71Å
198C93.8Very high94.1Very high15 Ų1541.3 Ų41.310%0.10126%0.256CS..Hα-helixtrans-60-29.4175-68.70000113.5K182 E194 I195 I196 H204K182-C198 WeakPolarHBondContact O-CB 3.31Å; E194-C198 PolarHBondContact O-N 2.92Å; E194-C198 PolarHBondContact O-SG 2.82Å; I195-C198 WeakPolarHBondContact O-CB 3.33Å; I195-C198 PolarHBondContact O-N 2.9Å; I196-C198 VanDerWaalsContact C-N 3.27Å; I196-C198 PolarHBondContact O-N 3.13Å; C198-H204 PolarHBondContact SG-ND1 3.2Å
199S89.9Confident94.2Very high83 Ų8341.1 Ų41.158%0.5825%0.254SS*.Hα-helixtrans-79-19.4174.366.80000113.9I196 E197I196-S199 PolarHBondContact O-N 3.04Å; I196-S199 PolarHBondContact O-OG 3.33Å; E197-S199 PolarHBondContact O-N 2.9Å
200M90.3Very high94.3Very high128 Ų12841.5 Ų41.563%0.63126%0.255SS*.Hα-helixtrans-97.9-30.5-174.8-62.3-179.862.200112.2I196 E197 L243I196-M200 HydrophobicContact CG2-SD 4.19Å; E197-M200 PolarHBondContact O-N 3.4Å; M200-L243 HydrophobicContact SD-CD1 3.98Å
201D89.7Confident94.4Very high88 Ų8840.3 Ų40.347%0.47125%0.251SS..  trans-129.1111.1179.8178.717.5000111.5E197 G203 H204E197-D201 PolarHBondContact O-N 2.88Å; D201-G203 PolarHBondContact O-N 3.02Å; D201-G203 WeakPolarHBondContact OD1-CA 3.46Å; D201-G203 PolarHBondContact OD1-N 3.02Å; D201-H204 HydrophobicContact CB-CB 4.36Å; D201-H204 VanDerWaalsContact O-CB 3.27Å; D201-H204 WeakPolarHBondContact O-CB 3.26Å; D201-H204 PolarHBondContact O-N 2.74Å; D201-H204 VanDerWaalsContact O-N 3.09Å; D201-H204 PolarHBondContact OD2-N 3.02Å
202A85.5Confident94.4Very high93 Ų9339.7 Ų39.777%0.76925%0.248SC*.THydrogen-bonded Turntrans-62.3-25.4175.900000112.9K182 H204K182-A202 PolarHBondContact NZ-O 3.46Å; K182-A202 VanDerWaalsContact NZ-O 3.11Å; A202-H204 VanDerWaalsContact C-N 3.31Å
203G88.1Confident94.4Very high59 Ų5939.8 Ų39.861%0.60825%0.248SC*.THydrogen-bonded Turntrans-78.3-8.2176.800000114.5D201D201-G203 PolarHBondContact O-N 3.02Å; D201-G203 WeakPolarHBondContact OD1-CA 3.46Å; D201-G203 PolarHBondContact OD1-N 3.02Å
204H92.4Very high94.5Very high41 Ų4139.8 Ų39.819%0.1925%0.248CC..  trans-58.2142.6-177.8-167.5-97.6000111.7K182 E197 C198 D201 A202 G206K182-H204 WeakPolarHBondContact CE-O 3.38Å; K182-H204 PolarHBondContact NZ-O 3.33Å; E197-H204 IonicContact OE2-NE2 3.94Å; C198-H204 PolarHBondContact SG-ND1 3.2Å; D201-H204 HydrophobicContact CB-CB 4.36Å; D201-H204 VanDerWaalsContact O-CB 3.27Å; D201-H204 WeakPolarHBondContact O-CB 3.26Å; D201-H204 PolarHBondContact O-N 2.74Å; D201-H204 VanDerWaalsContact O-N 3.09Å; D201-H204 PolarHBondContact OD2-N 3.02Å; A202-H204 VanDerWaalsContact C-N 3.31Å; H204-G206 PolarHBondContact CE1-O 3.38Å; H204-G206 PolarHBondContact ND1-N 2.96Å; H204-G206 PolarHBondContact O-N 3.22Å
205Q90.4Very high94.5Very high136 Ų13640 Ų4064%0.63625%0.249SC*.  trans-69.3-13.1-176.1-68.1-171.5-27.600113.2T180T180-Q205 WeakPolarHBondContact CB-O 3.42Å; T180-Q205 WeakPolarHBondContact CG2-O 3.3Å; T180-Q205 PolarHBondContact OG1-O 3.25Å
206G94.8Very high94.6Very high12 Ų1239.9 Ų39.912%0.12425%0.249CC..  trans91.4-173.8-175.800000112.7L181 H204L181-G206 CarbonylContact O-C 3.36Å; L181-G206 WeakPolarHBondContact O-CA 3.46Å; H204-G206 PolarHBondContact CE1-O 3.38Å; H204-G206 PolarHBondContact ND1-N 2.96Å; H204-G206 PolarHBondContact O-N 3.22Å
207Y96.3Very high94.8Very high7 Ų739.4 Ų39.43%0.02725%0.247CC..BIsolated β-bridgetrans-128.1169-177.964.9-95.8000111.9R149 T180 L181 E183 I195 V211R149-Y207 WeakPolarHBondContact CD-OH 3.45Å; R149-Y207 HydrophobicContact CG-CE2 4.33Å; R149-Y207 PolarHBondContact NH1-OH 3.44Å; R149-Y207 VanDerWaalsContact NH1-OH 3.16Å; T180-Y207 WeakPolarHBondContact CA-O 3.36Å; L181-Y207 HydrophobicContact CB-CD1 4.32Å; L181-Y207 HydrophobicContact CB-CD2 4.01Å; L181-Y207 HydrophobicContact CB-CE1 3.89Å; L181-Y207 HydrophobicContact CB-CE2 3.53Å; L181-Y207 HydrophobicContact CB-CG 4.37Å; L181-Y207 VanDerWaalsContact CB-CZ 3.45Å; L181-Y207 HydrophobicContact CD1-CD2 4.45Å; L181-Y207 HydrophobicContact CD1-CE2 3.74Å; L181-Y207 HydrophobicContact CG-CE2 4.25Å; L181-Y207 PolarHBondContact N-O 2.89Å; L181-Y207 WeakPolarHBondContact O-CD1 3.32Å; L181-Y207 WeakPolarHBondContact O-CE1 3.43Å; L181-Y207 PolarHBondContact O-N 3.46Å; E183-Y207 VanDerWaalsContact O-CE1 3.25Å; E183-Y207 WeakPolarHBondContact O-CE1 3.41Å; E183-Y207 VanDerWaalsContact O-CZ 3.32Å; E183-Y207 PolarHBondContact O-OH 3.15Å; I195-Y207 HydrophobicContact CB-CD1 4.43Å; I195-Y207 HydrophobicContact CB-CE1 4.47Å; I195-Y207 HydrophobicContact CD1-CE2 4.47Å; I195-Y207 HydrophobicContact CG1-CD1 3.83Å; I195-Y207 HydrophobicContact CG1-CD2 4.17Å; I195-Y207 HydrophobicContact CG1-CE1 3.97Å; I195-Y207 HydrophobicContact CG1-CE2 4.31Å; I195-Y207 HydrophobicContact CG1-CG 3.94Å; I195-Y207 HydrophobicContact CG2-CE1 4.32Å; Y207-V211 HydrophobicContact CD2-CB 4.5Å; Y207-V211 HydrophobicContact CD2-CG1 3.56Å; Y207-V211 HydrophobicContact CD2-CG2 4.17Å; Y207-V211 HydrophobicContact CE2-CG1 4.45Å; Y207-V211 HydrophobicContact CE2-CG2 4.47Å; Y207-V211 HydrophobicContact CG-CG1 3.85Å
208G96.6Very high94.9Very high20 Ų2036 Ų3621%0.20623%0.231CC..  trans-143.2-148.2179.600000111.7A210 V211G208-A210 PolarHBondContact O-N 2.84Å; G208-A210 VanDerWaalsContact O-N 3.14Å; G208-V211 WeakPolarHBondContact O-CG2 3.29Å; G208-V211 PolarHBondContact O-N 3.23Å
209T97.4Very high95.1Very high44 Ų4435.3 Ų35.327%0.2723%0.226SC..THydrogen-bonded Turntrans-60.5-23.6-175.551.80000114.9H142 V147 V211 D212H142-T209 HydrophobicContact CB-CG2 3.98Å; H142-T209 PolarHBondContact CE1-O 3.34Å; H142-T209 PolarHBondContact NE2-O 3.34Å; V147-T209 HydrophobicContact CG2-CG2 3.85Å; T209-V211 PolarHBondContact O-N 3.49Å; T209-V211 VanDerWaalsContact O-N 3.1Å; T209-D212 PolarHBondContact O-N 3.14Å; T209-D212 VanDerWaalsContact O-N 3.15Å
210A97.9Very high95.6Very high22 Ų2231.4 Ų31.418%0.18220%0.199CC..Hα-helixtrans-59.1-23.4-179.400000113.8G208 D212 I213 W214 P273 R276G208-A210 PolarHBondContact O-N 2.84Å; G208-A210 VanDerWaalsContact O-N 3.14Å; A210-D212 VanDerWaalsContact C-N 3.3Å; A210-D212 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 3.16Å; A210-W214 PolarHBondContact O-N 2.81Å; A210-P273 HydrophobicContact CB-CB 3.83Å; A210-R276 WeakPolarHBondContact O-CD 3.44Å; A210-R276 PolarHBondContact O-NH1 3.22Å
211V98.5Very high96Very high1 Ų125.9 Ų25.91%0.00617%0.171CC..Hα-helixtrans-64.1-36178.5-56.20000112V147 A192 E194 I195 Y207 G208 T209 I213 W214 S215V147-V211 HydrophobicContact CG1-CG2 3.63Å; A192-V211 HydrophobicContact CB-CB 3.96Å; A192-V211 HydrophobicContact CB-CG1 3.95Å; E194-V211 HydrophobicContact CG-CG1 4.04Å; E194-V211 WeakPolarHBondContact OE1-CG1 3.22Å; I195-V211 HydrophobicContact CD1-CB 3.86Å; I195-V211 HydrophobicContact CD1-CG1 3.81Å; I195-V211 HydrophobicContact CD1-CG2 4.25Å; I195-V211 HydrophobicContact CG1-CB 4.34Å; I195-V211 HydrophobicContact CG1-CG1 3.73Å; Y207-V211 HydrophobicContact CD2-CB 4.5Å; Y207-V211 HydrophobicContact CD2-CG1 3.56Å; Y207-V211 HydrophobicContact CD2-CG2 4.17Å; Y207-V211 HydrophobicContact CE2-CG1 4.45Å; Y207-V211 HydrophobicContact CE2-CG2 4.47Å; Y207-V211 HydrophobicContact CG-CG1 3.85Å; G208-V211 WeakPolarHBondContact O-CG2 3.29Å; G208-V211 PolarHBondContact O-N 3.23Å; T209-V211 PolarHBondContact O-N 3.49Å; T209-V211 VanDerWaalsContact O-N 3.1Å; V211-I213 VanDerWaalsContact C-N 3.27Å; V211-I213 PolarHBondContact O-N 3.21Å; V211-W214 WeakPolarHBondContact O-CB 3.33Å; V211-W214 PolarHBondContact O-N 3.24Å; V211-S215 PolarHBondContact O-N 2.63Å; V211-S215 VanDerWaalsContact O-N 3.08Å; V211-S215 PolarHBondContact O-OG 2.9Å
212D98.8Very high96.4Very high0 Ų022.1 Ų22.10%015%0.151CC..Hα-helixtrans-67.2-31.7178.6-70.1-23.1000111.1L138 H142 H148 R149 L151 T209 A210 S215 A216L138-D212 HydrophobicContact CD1-CB 4.22Å; L138-D212 HydrophobicContact CD2-CB 4.24Å; H142-D212 IonicContact CD2-OD2 3.46Å; H142-D212 IonicContact CE1-OD2 3.65Å; H142-D212 IonicContact NE2-OD2 3.81Å; H142-D212 PolarHBondContact NE2-OD2 3.37Å; H148-D212 PolarHBondContact N-OD1 2.84Å; H148-D212 PolarHBondContact N-OD2 2.6Å; R149-D212 PolarHBondContact N-OD1 3.1Å; L151-D212 HydrophobicContact CD1-CB 3.69Å; L151-D212 WeakPolarHBondContact CD1-O 3.39Å; T209-D212 PolarHBondContact O-N 3.14Å; T209-D212 VanDerWaalsContact O-N 3.15Å; A210-D212 VanDerWaalsContact C-N 3.3Å; A210-D212 PolarHBondContact O-N 2.92Å; D212-S215 PolarHBondContact O-N 3.14Å; D212-A216 VanDerWaalsContact O-CB 3.31Å; D212-A216 WeakPolarHBondContact O-CB 3.35Å; D212-A216 PolarHBondContact O-N 3.2Å
213I98.9Very high97Very high2 Ų217.7 Ų17.71%0.0112%0.115CC..Hα-helixtrans-69.8-37.7176.1-52.7-58.4000111.2L135 L138 A210 V211 A216 G217 M268 R276 F277 A279 V282L135-I213 HydrophobicContact CD1-CD1 4.32Å; L138-I213 HydrophobicContact CD1-CD1 4.19Å; A210-I213 PolarHBondContact O-N 3.16Å; V211-I213 VanDerWaalsContact C-N 3.27Å; V211-I213 PolarHBondContact O-N 3.21Å; I213-A216 PolarHBondContact O-N 3Å; I213-G217 PolarHBondContact O-N 3.38Å; I213-M268 HydrophobicContact CG2-CB 4.21Å; I213-M268 HydrophobicContact CG2-CE 4.1Å; I213-M268 HydrophobicContact CG2-CG 4.11Å; I213-R276 HydrophobicContact CG2-CG 4.31Å; I213-F277 WeakPolarHBondContact CG2-O 3.34Å; I213-A279 HydrophobicContact CD1-CB 3.87Å; I213-V282 HydrophobicContact CG2-CG2 4.28Å
214W98.8Very high97.4Very high0 Ų014.9 Ų14.90%09%0.086CC..Hα-helixtrans-60.3-52.1172.7175.9-85000110.7L191 A192 P193 A210 V211 A216 G217 V218 F230 I242 L269L191-W214 PolarHBondContact O-NE1 2.88Å; A192-W214 VanDerWaalsContact CA-CD1 3.48Å; A192-W214 HydrophobicContact CB-CB 3.78Å; A192-W214 HydrophobicContact CB-CD2 4.38Å; A192-W214 HydrophobicContact CB-CG 3.77Å; P193-W214 HydrophobicContact CG-CE3 4.27Å; P193-W214 HydrophobicContact CG-CH2 3.6Å; P193-W214 HydrophobicContact CG-CZ2 3.92Å; P193-W214 HydrophobicContact CG-CZ3 3.79Å; A210-W214 PolarHBondContact O-N 2.81Å; V211-W214 WeakPolarHBondContact O-CB 3.33Å; V211-W214 PolarHBondContact O-N 3.24Å; W214-A216 VanDerWaalsContact C-N 3.28Å; W214-A216 PolarHBondContact O-N 3.41Å; W214-G217 WeakPolarHBondContact O-CA 3.47Å; W214-G217 PolarHBondContact O-N 2.95Å; W214-V218 WeakPolarHBondContact O-CG2 3.32Å; W214-V218 PolarHBondContact O-N 2.85Å; W214-F230 AromaticContact CE2-CE2 3.94Å; W214-F230 HydrophobicContact CH2-CE2 4.08Å; W214-F230 AromaticContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CZ2-CD2 4.25Å; W214-F230 HydrophobicContact CZ2-CE1 4.46Å; W214-F230 AromaticContact CZ2-CE2 3.32Å; W214-F230 HydrophobicContact CZ2-CE2 3.32Å; W214-F230 AromaticContact CZ2-CZ 3.45Å; W214-F230 HydrophobicContact CZ2-CZ 3.45Å; W214-F230 VanDerWaalsContact CZ2-CZ 3.45Å; W214-I242 HydrophobicContact CZ2-CG2 3.89Å; W214-L269 HydrophobicContact CD2-CD2 3.92Å; W214-L269 HydrophobicContact CE3-CD2 4.12Å; W214-L269 HydrophobicContact CG-CD2 4.33Å; W214-L269 HydrophobicContact CZ2-CD2 4.46Å; W214-L269 HydrophobicContact CZ3-CB 4.29Å; W214-L269 HydrophobicContact CZ3-CD2 4.48Å; W214-L269 WeakPolarHBondContact O-CD2 3.16Å
215S98.8Very high97.5Very high5 Ų513.2 Ų13.24%0.0358%0.079CC..Hα-helixtrans-59.8-39.3178.8-51.60000111.8Y190 V211 D212 G217 V218 I219Y190-S215 PolarHBondContact O-OG 3.16Å; V211-S215 PolarHBondContact O-N 2.63Å; V211-S215 VanDerWaalsContact O-N 3.08Å; V211-S215 PolarHBondContact O-OG 2.9Å; D212-S215 PolarHBondContact O-N 3.14Å; S215-G217 VanDerWaalsContact C-N 3.32Å; S215-G217 PolarHBondContact O-N 3.38Å; S215-V218 WeakPolarHBondContact O-CB 3.47Å; S215-V218 PolarHBondContact O-N 2.74Å; S215-I219 VanDerWaalsContact O-CG1 3.32Å; S215-I219 WeakPolarHBondContact O-CG1 3.25Å; S215-I219 PolarHBondContact O-N 2.87Å
216A98.8Very high97.7Very high0 Ų08.4 Ų8.40%07%0.066CC..Hα-helixtrans-62.9-35.4172.600000112.7M131 L134 L135 L138 D212 I213 W214 I219 M220 M268M131-A216 HydrophobicContact CE-CB 4.2Å; M131-A216 VanDerWaalsContact CE-O 3.3Å; M131-A216 WeakPolarHBondContact CE-O 3.31Å; L134-A216 HydrophobicContact CD2-CB 4.27Å; L135-A216 HydrophobicContact CD2-CB 4.03Å; L138-A216 HydrophobicContact CD1-CB 3.96Å; D212-A216 VanDerWaalsContact O-CB 3.31Å; D212-A216 WeakPolarHBondContact O-CB 3.35Å; D212-A216 PolarHBondContact O-N 3.2Å; I213-A216 PolarHBondContact O-N 3Å; W214-A216 VanDerWaalsContact C-N 3.28Å; W214-A216 PolarHBondContact O-N 3.41Å; A216-I219 PolarHBondContact O-N 2.78Å; A216-M220 WeakPolarHBondContact O-CB 3.5Å; A216-M220 PolarHBondContact O-N 2.82Å; A216-M268 HydrophobicContact CB-CE 3.59Å
217G98.8Very high97.6Very high0 Ų010.4 Ų10.40%08%0.078CC..Hα-helixtrans-65.6-41.417300000112.2I213 W214 S215 M220 Y221I213-G217 PolarHBondContact O-N 3.38Å; W214-G217 WeakPolarHBondContact O-CA 3.47Å; W214-G217 PolarHBondContact O-N 2.95Å; S215-G217 VanDerWaalsContact C-N 3.32Å; S215-G217 PolarHBondContact O-N 3.38Å; G217-M220 PolarHBondContact O-N 2.84Å; G217-Y221 WeakPolarHBondContact O-CB 3.4Å; G217-Y221 PolarHBondContact O-N 2.78Å
218V98.8Very high97.6Very high0 Ų012.3 Ų12.30%09%0.091CC..Hα-helixtrans-62.5-44.3174.1177.60000110.5Y190 W214 S215 Y221 T222 P229 F230 L269Y190-V218 HydrophobicContact CD1-CB 3.85Å; Y190-V218 HydrophobicContact CD1-CG1 3.41Å; Y190-V218 VanDerWaalsContact CD1-CG1 3.41Å; Y190-V218 HydrophobicContact CE1-CB 4.3Å; Y190-V218 HydrophobicContact CE1-CG1 3.57Å; Y190-V218 HydrophobicContact CG-CG1 4.26Å; W214-V218 WeakPolarHBondContact O-CG2 3.32Å; W214-V218 PolarHBondContact O-N 2.85Å; S215-V218 WeakPolarHBondContact O-CB 3.47Å; S215-V218 PolarHBondContact O-N 2.74Å; V218-Y221 PolarHBondContact O-N 3.08Å; V218-T222 WeakPolarHBondContact O-CB 3.46Å; V218-T222 PolarHBondContact O-N 3.16Å; V218-T222 PolarHBondContact O-OG1 2.85Å; V218-P229 HydrophobicContact CB-CG 4.37Å; V218-P229 HydrophobicContact CG1-CG 4.01Å; V218-P229 HydrophobicContact CG2-CG 4.21Å; V218-F230 HydrophobicContact CG2-CD2 4.29Å; V218-F230 HydrophobicContact CG2-CE2 4.05Å; V218-L269 HydrophobicContact CG2-CD2 3.8Å
219I98.8Very high97.6Very high0 Ų011.8 Ų11.80%08%0.084CC..Hα-helixtrans-58.6-51.2174.4-69163.7000109.9M131 L134 L151 P153 I156 Y190 S215 A216 Y221 T222 L223M131-I219 HydrophobicContact SD-CG2 4.06Å; L134-I219 HydrophobicContact CD2-CD1 4.19Å; L151-I219 HydrophobicContact CB-CD1 4.05Å; P153-I219 HydrophobicContact CG-CG1 4.38Å; I156-I219 HydrophobicContact CD1-CD1 4.03Å; I156-I219 HydrophobicContact CD1-CG2 4.48Å; Y190-I219 HydrophobicContact CD1-CG1 4.2Å; Y190-I219 HydrophobicContact CE1-CG1 3.96Å; S215-I219 VanDerWaalsContact O-CG1 3.32Å; S215-I219 WeakPolarHBondContact O-CG1 3.25Å; S215-I219 PolarHBondContact O-N 2.87Å; A216-I219 PolarHBondContact O-N 2.78Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 2.82Å; I219-T222 PolarHBondContact O-N 3.38Å; I219-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 HydrophobicContact CG2-CG 4.12Å; I219-L223 WeakPolarHBondContact O-CG 3.37Å; I219-L223 PolarHBondContact O-N 3.43Å
220M98.6Very high97.6Very high1 Ų19.7 Ų9.71%0.0057%0.071CC..Hα-helixtrans-58-45.6-178.8-170.8173-173.500112.6M131 A216 G217 T222 L223 L224 V261 L264 I265 M268 F287M131-M220 HydrophobicContact CE-CB 3.81Å; M131-M220 HydrophobicContact CE-CG 4.39Å; M131-M220 HydrophobicContact CG-CB 4.19Å; M131-M220 HydrophobicContact CG-CG 3.94Å; M131-M220 HydrophobicContact CG-SD 4.35Å; M131-M220 HydrophobicContact SD-CB 3.86Å; M131-M220 HydrophobicContact SD-CG 4.28Å; A216-M220 WeakPolarHBondContact O-CB 3.5Å; A216-M220 PolarHBondContact O-N 2.82Å; G217-M220 PolarHBondContact O-N 2.84Å; M220-T222 VanDerWaalsContact C-N 3.34Å; M220-L223 PolarHBondContact O-N 3.49Å; M220-L224 HydrophobicContact CG-CD1 4.3Å; M220-L224 WeakPolarHBondContact O-CD1 3.38Å; M220-L224 WeakPolarHBondContact O-CG 3.49Å; M220-L224 PolarHBondContact O-N 3.32Å; M220-V261 HydrophobicContact CE-CG2 3.34Å; M220-L264 HydrophobicContact CE-CD2 3.75Å; M220-L264 HydrophobicContact CE-CG 4.39Å; M220-L264 HydrophobicContact SD-CD2 3.94Å; M220-L264 HydrophobicContact SD-CG 4.18Å; M220-I265 HydrophobicContact CB-CG1 4.34Å; M220-I265 HydrophobicContact CG-CD1 4.2Å; M220-I265 HydrophobicContact CG-CG1 3.96Å; M220-I265 HydrophobicContact SD-CG1 3.87Å; M220-M268 HydrophobicContact SD-SD 4.1Å; M220-F287 HydrophobicContact CE-CD1 3.83Å; M220-F287 HydrophobicContact CE-CE1 3.44Å; M220-F287 VanDerWaalsContact CE-CE1 3.44Å; M220-F287 HydrophobicContact CE-CE2 4.31Å; M220-F287 HydrophobicContact CE-CG 4.39Å; M220-F287 HydrophobicContact CE-CZ 3.72Å
221Y98.7Very high97.4Very high13 Ų1315.2 Ų15.25%0.0519%0.087CC..Hα-helixtrans-57.1-49.8173.6-176.2-72.3000110.5G217 V218 I219 L223 L224 A225 S227 P229 Y247 D248 F249 W254 I265G217-Y221 WeakPolarHBondContact O-CB 3.4Å; G217-Y221 PolarHBondContact O-N 2.78Å; V218-Y221 PolarHBondContact O-N 3.08Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 2.82Å; Y221-L223 PolarHBondContact O-N 2.83Å; Y221-L224 PolarHBondContact O-N 3.14Å; Y221-L224 VanDerWaalsContact O-N 3.16Å; Y221-A225 HydrophobicContact CD1-CB 4.03Å; Y221-A225 HydrophobicContact CE1-CB 3.67Å; Y221-A225 WeakPolarHBondContact O-CB 3.48Å; Y221-A225 PolarHBondContact O-N 3.19Å; Y221-S227 VanDerWaalsContact CD1-O 3.31Å; Y221-S227 WeakPolarHBondContact CD1-O 3.34Å; Y221-S227 VanDerWaalsContact CE1-O 3.26Å; Y221-S227 WeakPolarHBondContact CE1-O 3.43Å; Y221-P229 HydrophobicContact CD1-CB 3.73Å; Y221-P229 VanDerWaalsContact CD1-CD 3.44Å; Y221-P229 HydrophobicContact CD1-CG 3.99Å; Y221-P229 HydrophobicContact CD2-CB 3.81Å; Y221-P229 HydrophobicContact CD2-CG 4.44Å; Y221-P229 HydrophobicContact CE1-CB 3.89Å; Y221-P229 HydrophobicContact CE2-CB 3.97Å; Y221-P229 HydrophobicContact CG-CB 3.71Å; Y221-P229 HydrophobicContact CG-CG 3.93Å; Y221-Y247 HydrophobicContact CD2-CD2 4.39Å; Y221-Y247 HydrophobicContact CE2-CD2 4.14Å; Y221-D248 PolarHBondContact OH-O 2.92Å; Y221-F249 HydrophobicContact CD2-CD1 4.4Å; Y221-F249 AromaticContact CD2-CE1 3.87Å; Y221-F249 HydrophobicContact CD2-CE1 3.87Å; Y221-F249 AromaticContact CE2-CD1 3.9Å; Y221-F249 HydrophobicContact CE2-CD1 3.9Å; Y221-F249 AromaticContact CE2-CE1 3.8Å; Y221-F249 HydrophobicContact CE2-CE1 3.8Å; Y221-W254 AromaticContact CD1-CZ2 3.97Å; Y221-W254 HydrophobicContact CD1-CZ2 3.97Å; Y221-W254 AromaticContact CD2-CH2 4Å; Y221-W254 HydrophobicContact CD2-CH2 4Å; Y221-W254 AromaticContact CD2-CZ2 3.38Å; Y221-W254 HydrophobicContact CD2-CZ2 3.38Å; Y221-W254 AromaticContact CE1-CZ2 3.96Å; Y221-W254 HydrophobicContact CE1-CZ2 3.96Å; Y221-W254 AromaticContact CE2-CE2 3.71Å; Y221-W254 HydrophobicContact CE2-CH2 4.31Å; Y221-W254 AromaticContact CE2-CZ2 3.35Å; Y221-W254 HydrophobicContact CE2-CZ2 3.35Å; Y221-W254 AromaticContact CE2-NE1 3.71Å; Y221-W254 HydrophobicContact CG-CH2 4.29Å; Y221-W254 AromaticContact CG-CZ2 3.69Å; Y221-W254 HydrophobicContact CG-CZ2 3.69Å; Y221-W254 AromaticContact CZ-CE2 3.79Å; Y221-W254 AromaticContact CZ-CZ2 3.65Å; Y221-W254 AromaticContact CZ-NE1 3.39Å; Y221-W254 PolarHBondContact OH-NE1 3.22Å; Y221-W254 VanDerWaalsContact OH-NE1 3.14Å; Y221-I265 HydrophobicContact CD2-CG2 4.2Å
222T98.1Very high97.2Very high9 Ų918.4 Ų18.46%0.05510%0.102CC..Hα-helixtrans-63.8-39.7-176.3-53.70000112.1L116 V218 I219 M220 L224 G226 P228L116-T222 HydrophobicContact CD2-CG2 3.89Å; V218-T222 WeakPolarHBondContact O-CB 3.46Å; V218-T222 PolarHBondContact O-N 3.16Å; V218-T222 PolarHBondContact O-OG1 2.85Å; I219-T222 PolarHBondContact O-N 3.38Å; M220-T222 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 3.47Å; T222-G226 VanDerWaalsContact O-CA 3.25Å; T222-G226 WeakPolarHBondContact O-CA 3.49Å; T222-G226 PolarHBondContact O-N 3.31Å; T222-P228 WeakPolarHBondContact OG1-CA 3.36Å
223L98.1Very high96.9Very high0 Ų027.4 Ų27.40%014%0.136CC..Hα-helixtrans-61.7-33.2176.8-67.4178.8000112.4L112 L116 L122 I130 M131 I219 M220 Y221L112-L223 HydrophobicContact CD1-CD2 4.18Å; L112-L223 HydrophobicContact CD2-CD1 4.44Å; L112-L223 HydrophobicContact CD2-CD2 3.99Å; L112-L223 HydrophobicContact CG-CD2 4.08Å; L116-L223 HydrophobicContact CD1-CD2 4.39Å; L116-L223 HydrophobicContact CD2-CD2 4.27Å; L122-L223 HydrophobicContact CD1-CB 4.27Å; L122-L223 HydrophobicContact CD1-CD1 4.46Å; L122-L223 HydrophobicContact CD1-CD2 3.86Å; L122-L223 HydrophobicContact CD1-CG 4.42Å; L122-L223 PolarHBondContact N-O 3.02Å; I130-L223 HydrophobicContact CG2-CD1 3.91Å; M131-L223 HydrophobicContact CG-CD1 4.47Å; M131-L223 HydrophobicContact SD-CD1 4.02Å; I219-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 HydrophobicContact CG2-CG 4.12Å; I219-L223 WeakPolarHBondContact O-CG 3.37Å; I219-L223 PolarHBondContact O-N 3.43Å; M220-L223 PolarHBondContact O-N 3.49Å; Y221-L223 PolarHBondContact O-N 2.83Å
224L97.4Very high96.7Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-89.9-40.8-175.9-67.7165.1000112.8E124 A127 M220 Y221 T222 W254 R257 V261 I265E124-L224 HydrophobicContact CG-CD2 4.08Å; A127-L224 HydrophobicContact CB-CD2 3.8Å; A127-L224 HydrophobicContact CB-CG 4.22Å; M220-L224 HydrophobicContact CG-CD1 4.3Å; M220-L224 WeakPolarHBondContact O-CD1 3.38Å; M220-L224 WeakPolarHBondContact O-CG 3.49Å; M220-L224 PolarHBondContact O-N 3.32Å; Y221-L224 PolarHBondContact O-N 3.14Å; Y221-L224 VanDerWaalsContact O-N 3.16Å; T222-L224 PolarHBondContact O-N 3.47Å; L224-W254 HydrophobicContact CB-CH2 3.88Å; L224-W254 HydrophobicContact CB-CZ3 4.25Å; L224-W254 HydrophobicContact CD1-CH2 4.14Å; L224-W254 HydrophobicContact CD1-CZ3 4.21Å; L224-R257 PolarHBondContact O-NH2 2.85Å; L224-V261 HydrophobicContact CD1-CG1 4.27Å; L224-V261 HydrophobicContact CD1-CG2 3.41Å; L224-V261 VanDerWaalsContact CD1-CG2 3.41Å; L224-I265 HydrophobicContact CD1-CD1 4.03Å
225A94.9Very high96.4Very high6 Ų639.7 Ų39.75%0.0519%0.191CC..Hα-helixtrans-86.2-23.3-179.700000113.3Y221 S227 W254Y221-A225 HydrophobicContact CD1-CB 4.03Å; Y221-A225 HydrophobicContact CE1-CB 3.67Å; Y221-A225 WeakPolarHBondContact O-CB 3.48Å; Y221-A225 PolarHBondContact O-N 3.19Å; A225-S227 PolarHBondContact O-N 2.94Å; A225-W254 HydrophobicContact CB-CZ2 3.78Å
226G93.5Very high96.2Very high35 Ų3544.4 Ų44.436%0.36121%0.214SC..SBendtrans75.4-1.9-170.700000114V120 T222V120-G226 WeakPolarHBondContact O-CA 3.5Å; T222-G226 VanDerWaalsContact O-CA 3.25Å; T222-G226 WeakPolarHBondContact O-CA 3.49Å; T222-G226 PolarHBondContact O-N 3.31Å
227S93.3Very high96.1Very high53 Ų5347.4 Ų47.437%0.37123%0.229SC..SBendtrans-136.5148.3175.860.70000110.5Y221 A225Y221-S227 VanDerWaalsContact CD1-O 3.31Å; Y221-S227 WeakPolarHBondContact CD1-O 3.34Å; Y221-S227 VanDerWaalsContact CE1-O 3.26Å; Y221-S227 WeakPolarHBondContact CE1-O 3.43Å; A225-S227 PolarHBondContact O-N 2.94Å
228P95.9Very high96Very high47 Ų4748.7 Ų48.731%0.30524%0.236SC..  trans-69.6152179.727.7-33.6000112.4T222 F230 W231T222-P228 WeakPolarHBondContact OG1-CA 3.36Å; P228-F230 VanDerWaalsContact C-N 3.31Å; P228-F230 PolarHBondContact O-N 3.37Å; P228-W231 HydrophobicContact CG-CB 4.16Å; P228-W231 HydrophobicContact CG-CG 4.5Å
229P97.5Very high95.9Very high9 Ų950 Ų506%0.05824%0.243CC..SBendtrans-67.2-31.9179.624.8-30.8000112.8V218 Y221 Y247 L269V218-P229 HydrophobicContact CB-CG 4.37Å; V218-P229 HydrophobicContact CG1-CG 4.01Å; V218-P229 HydrophobicContact CG2-CG 4.21Å; Y221-P229 HydrophobicContact CD1-CB 3.73Å; Y221-P229 VanDerWaalsContact CD1-CD 3.44Å; Y221-P229 HydrophobicContact CD1-CG 3.99Å; Y221-P229 HydrophobicContact CD2-CB 3.81Å; Y221-P229 HydrophobicContact CD2-CG 4.44Å; Y221-P229 HydrophobicContact CE1-CB 3.89Å; Y221-P229 HydrophobicContact CE2-CB 3.97Å; Y221-P229 HydrophobicContact CG-CB 3.71Å; Y221-P229 HydrophobicContact CG-CG 3.93Å; P229-Y247 HydrophobicContact CB-CG 4.31Å; P229-L269 HydrophobicContact CB-CD1 4.4Å; P229-L269 HydrophobicContact CG-CD1 4.27Å
230F97.4Very high95.9Very high1 Ų157.1 Ų57.10%0.00427%0.27CS..SBendtrans-115.2105-179.6-47.3-69000109.2W214 V218 P228 M238 M241 I242 Y247 L269W214-F230 AromaticContact CE2-CE2 3.94Å; W214-F230 HydrophobicContact CH2-CE2 4.08Å; W214-F230 AromaticContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CZ2-CD2 4.25Å; W214-F230 HydrophobicContact CZ2-CE1 4.46Å; W214-F230 AromaticContact CZ2-CE2 3.32Å; W214-F230 HydrophobicContact CZ2-CE2 3.32Å; W214-F230 AromaticContact CZ2-CZ 3.45Å; W214-F230 HydrophobicContact CZ2-CZ 3.45Å; W214-F230 VanDerWaalsContact CZ2-CZ 3.45Å; V218-F230 HydrophobicContact CG2-CD2 4.29Å; V218-F230 HydrophobicContact CG2-CE2 4.05Å; P228-F230 VanDerWaalsContact C-N 3.31Å; P228-F230 PolarHBondContact O-N 3.37Å; F230-M238 HydrophobicContact CB-CG 4.39Å; F230-M241 HydrophobicContact CD1-CB 4.09Å; F230-I242 HydrophobicContact CB-CD1 4.37Å; F230-I242 HydrophobicContact CB-CG1 3.69Å; F230-I242 HydrophobicContact CD1-CG1 4.26Å; F230-I242 HydrophobicContact CD2-CG1 3.79Å; F230-I242 HydrophobicContact CG-CG1 3.64Å; F230-Y247 AromaticContact CE1-CD1 3.85Å; F230-Y247 HydrophobicContact CE1-CD1 3.85Å; F230-Y247 HydrophobicContact CE1-CG 4.31Å; F230-Y247 AromaticContact CZ-CD1 3.77Å; F230-Y247 HydrophobicContact CZ-CD1 3.77Å; F230-Y247 HydrophobicContact CZ-CG 4.38Å; F230-L269 HydrophobicContact CE2-CD1 4.46Å; F230-L269 HydrophobicContact CE2-CD2 4.43Å; F230-L269 HydrophobicContact CZ-CD1 4.44Å
231W93.7Very high95.8Very high137 Ų13759.7 Ų59.752%0.51928%0.282SS..  trans-143.1132.6178.2-170.886.1000112.5P228 N366P228-W231 HydrophobicContact CG-CB 4.16Å; P228-W231 HydrophobicContact CG-CG 4.5Å; W231-N366 WeakPolarHBondContact CZ2-ND2 3.45Å
232H94.4Very high95.8Very high69 Ų6959 Ų5932%0.31928%0.28SS..  trans-155.4145.9169.8-167.5-84.6000110.2K234 L237 M238 M241H232-K234 PolarHBondContact ND1-N 2.69Å; H232-K234 PolarHBondContact ND1-O 3.06Å; H232-K234 PolarHBondContact O-N 3.47Å; H232-L237 HydrophobicContact CB-CB 4.07Å; H232-L237 WeakPolarHBondContact CE1-CD1 3.19Å; H232-L237 WeakPolarHBondContact ND1-CB 3.23Å; H232-M238 HydrophobicContact CB-CB 4.22Å; H232-M241 HydrophobicContact CB-SD 4.36Å
233R91.4Very high95.8Very high189 Ų18960.6 Ų60.671%0.71329%0.288SS*.SBendtrans-58.8-34.6179.4-176.1175.8178.7178.4-0.1113.4
234K94.4Very high95.8Very high142 Ų14264 Ų6462%0.61732%0.316SS*.SBendtrans-91.3115.9172.2-62-177178.4179.30109.3H232 M236 L237 M238H232-K234 PolarHBondContact ND1-N 2.69Å; H232-K234 PolarHBondContact ND1-O 3.06Å; H232-K234 PolarHBondContact O-N 3.47Å; K234-M236 VanDerWaalsContact C-N 3.26Å; K234-M236 PolarHBondContact O-N 2.96Å; K234-L237 HydrophobicContact CB-CB 4.46Å; K234-L237 HydrophobicContact CB-CD1 4.22Å; K234-L237 HydrophobicContact CB-CG 4.27Å; K234-L237 HydrophobicContact CD-CD1 4.14Å; K234-L237 PolarHBondContact O-N 2.88Å; K234-M238 PolarHBondContact O-N 3.32Å
235Q94Very high95.8Very high117 Ų11764.9 Ų64.955%0.54732%0.324SS..Hα-helixtrans-51.7-43.1-179.7-176.9174.8-47.800112.6L237 M238 L239Q235-L237 PolarHBondContact O-N 2.91Å; Q235-M238 WeakPolarHBondContact O-CB 3.36Å; Q235-M238 PolarHBondContact O-N 3.42Å; Q235-L239 HydrophobicContact CG-CD1 4.3Å; Q235-L239 HydrophobicContact CG-CG 4.34Å; Q235-L239 WeakPolarHBondContact O-CG 3.41Å; Q235-L239 PolarHBondContact O-N 3.4Å
236M94.3Very high95.8Very high105 Ų10567.8 Ų67.852%0.51734%0.344SS..Hα-helixtrans-59.7-32179.4-168.761.4-167.700113.6K234 R240K234-M236 VanDerWaalsContact C-N 3.26Å; K234-M236 PolarHBondContact O-N 2.96Å; M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 2.73Å; M236-R240 VanDerWaalsContact O-N 3.14Å
237L96.6Very high96Very high62 Ų6268.4 Ų68.433%0.32534%0.336SS..Hα-helixtrans-77-34.7176.4-66.9178.4000111.5H232 K234 Q235 R240 M241H232-L237 HydrophobicContact CB-CB 4.07Å; H232-L237 WeakPolarHBondContact CE1-CD1 3.19Å; H232-L237 WeakPolarHBondContact ND1-CB 3.23Å; K234-L237 HydrophobicContact CB-CB 4.46Å; K234-L237 HydrophobicContact CB-CD1 4.22Å; K234-L237 HydrophobicContact CB-CG 4.27Å; K234-L237 HydrophobicContact CD-CD1 4.14Å; K234-L237 PolarHBondContact O-N 2.88Å; Q235-L237 PolarHBondContact O-N 2.91Å; L237-R240 PolarHBondContact O-N 3.36Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.42Å
238M97.3Very high96.1Very high27 Ų2770.1 Ų70.113%0.13334%0.341CS..Hα-helixtrans-61.5-46.3171.2-177.3-163.9-62.400111.1F230 H232 K234 Q235 R240 M241 I242F230-M238 HydrophobicContact CB-CG 4.39Å; H232-M238 HydrophobicContact CB-CB 4.22Å; K234-M238 PolarHBondContact O-N 3.32Å; Q235-M238 WeakPolarHBondContact O-CB 3.36Å; Q235-M238 PolarHBondContact O-N 3.42Å; M238-R240 VanDerWaalsContact C-N 3.29Å; M238-R240 PolarHBondContact O-N 3.22Å; M238-M241 WeakPolarHBondContact O-CB 3.06Å; M238-M241 PolarHBondContact O-N 3.07Å; M238-I242 HydrophobicContact CG-CD1 4.29Å; M238-I242 WeakPolarHBondContact O-CG1 3.16Å; M238-I242 PolarHBondContact O-N 3.31Å
239L96.6Very high96Very high28 Ų2870.3 Ų70.315%0.14734%0.337CS..Hα-helixtrans-61.2-37.6176.2-63.1177.4000111.9I196 Q235 I242 L243I196-L239 HydrophobicContact CD1-CB 4.45Å; I196-L239 HydrophobicContact CD1-CD2 3.73Å; I196-L239 HydrophobicContact CG1-CD2 4.31Å; Q235-L239 HydrophobicContact CG-CD1 4.3Å; Q235-L239 HydrophobicContact CG-CG 4.34Å; Q235-L239 WeakPolarHBondContact O-CG 3.41Å; Q235-L239 PolarHBondContact O-N 3.4Å; L239-I242 HydrophobicContact CD2-CD1 4.27Å; L239-I242 PolarHBondContact O-N 3.23Å; L239-L243 WeakPolarHBondContact O-CB 3.46Å; L239-L243 WeakPolarHBondContact O-CG 3.47Å; L239-L243 PolarHBondContact O-N 2.94Å
240R97.3Very high95.4Very high150 Ų15074.4 Ų74.457%0.56637%0.366SS*.Hα-helixtrans-64-37.6172.8-75.8179.2-178.1-178.6-1.5112.9M236 L237 M238 A244M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 2.73Å; M236-R240 VanDerWaalsContact O-N 3.14Å; L237-R240 PolarHBondContact O-N 3.36Å; M238-R240 VanDerWaalsContact C-N 3.29Å; M238-R240 PolarHBondContact O-N 3.22Å; R240-A244 VanDerWaalsContact O-CB 3.31Å; R240-A244 WeakPolarHBondContact O-CB 3.04Å; R240-A244 PolarHBondContact O-N 3.44Å
241M98.1Very high94.7Very high54 Ų5475.7 Ų75.727%0.26638%0.376SS..Hα-helixtrans-64.3-42.8174.5-66.1170.869.700111.1F230 H232 L237 M238 A244 G245 S246F230-M241 HydrophobicContact CD1-CB 4.09Å; H232-M241 HydrophobicContact CB-SD 4.36Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.42Å; M238-M241 WeakPolarHBondContact O-CB 3.06Å; M238-M241 PolarHBondContact O-N 3.07Å; M241-A244 PolarHBondContact O-N 3.46Å; M241-G245 PolarHBondContact O-N 2.91Å; M241-S246 PolarHBondContact O-N 3.39Å
242I98.1Very high94.3Very high0 Ų073.3 Ų73.30%038%0.377CS..Hα-helixtrans-59.5-53.8175.7-68.4162.5000110.3P188 L191 P193 I196 W214 F230 M238 L239 A244 G245P188-I242 VanDerWaalsContact O-CD1 3.27Å; P188-I242 WeakPolarHBondContact O-CD1 3.01Å; L191-I242 WeakPolarHBondContact O-CG2 3.35Å; P193-I242 HydrophobicContact CG-CG2 4.11Å; P193-I242 WeakPolarHBondContact CG-O 3.25Å; I196-I242 HydrophobicContact CD1-CB 4Å; I196-I242 HydrophobicContact CD1-CD1 4.38Å; I196-I242 HydrophobicContact CD1-CG2 3.53Å; W214-I242 HydrophobicContact CZ2-CG2 3.89Å; F230-I242 HydrophobicContact CB-CD1 4.37Å; F230-I242 HydrophobicContact CB-CG1 3.69Å; F230-I242 HydrophobicContact CD1-CG1 4.26Å; F230-I242 HydrophobicContact CD2-CG1 3.79Å; F230-I242 HydrophobicContact CG-CG1 3.64Å; M238-I242 HydrophobicContact CG-CD1 4.29Å; M238-I242 WeakPolarHBondContact O-CG1 3.16Å; M238-I242 PolarHBondContact O-N 3.31Å; L239-I242 HydrophobicContact CD2-CD1 4.27Å; L239-I242 PolarHBondContact O-N 3.23Å; I242-A244 PolarHBondContact O-N 2.95Å; I242-G245 PolarHBondContact O-N 3.49Å
243L97.6Very high93.8Very high42 Ų4274.1 Ų74.122%0.2238%0.381CS..Hα-helixtrans-57.4-35.2179-73.2170.4000112.8P193 I196 E197 M200 L239 G245P193-L243 HydrophobicContact CB-CD2 4.38Å; I196-L243 HydrophobicContact CB-CD2 3.94Å; I196-L243 HydrophobicContact CB-CG 4.46Å; I196-L243 HydrophobicContact CD1-CG 4.42Å; I196-L243 HydrophobicContact CG2-CD1 4.04Å; I196-L243 HydrophobicContact CG2-CD2 3.96Å; I196-L243 HydrophobicContact CG2-CG 4.13Å; E197-L243 HydrophobicContact CG-CD2 3.71Å; M200-L243 HydrophobicContact SD-CD1 3.98Å; L239-L243 WeakPolarHBondContact O-CB 3.46Å; L239-L243 WeakPolarHBondContact O-CG 3.47Å; L239-L243 PolarHBondContact O-N 2.94Å; L243-G245 VanDerWaalsContact C-N 3.34Å
244A97.4Very high93.7Very high72 Ų7265.1 Ų65.160%0.59535%0.348SS*.THydrogen-bonded Turntrans-81.9-9.4176.800000113.8R240 M241 I242 S246R240-A244 VanDerWaalsContact O-CB 3.31Å; R240-A244 WeakPolarHBondContact O-CB 3.04Å; R240-A244 PolarHBondContact O-N 3.44Å; M241-A244 PolarHBondContact O-N 3.46Å; I242-A244 PolarHBondContact O-N 2.95Å; A244-S246 PolarHBondContact O-N 2.73Å
245G97.3Very high93.3Very high17 Ų1765.6 Ų65.618%0.17535%0.352CS..THydrogen-bonded Turntrans58.430.6-168.800000112.9M241 I242 L243 Y247M241-G245 PolarHBondContact O-N 2.91Å; I242-G245 PolarHBondContact O-N 3.49Å; L243-G245 VanDerWaalsContact C-N 3.34Å; G245-Y247 VanDerWaalsContact O-CD1 3.31Å; G245-Y247 WeakPolarHBondContact O-CD1 3.36Å; G245-Y247 PolarHBondContact O-N 3.03Å
246S96.8Very high92.9Very high68 Ų6867.5 Ų67.548%0.47637%0.366SS..  trans-87.295-172.8-170.70000111M241 A244M241-S246 PolarHBondContact O-N 3.39Å; A244-S246 PolarHBondContact O-N 2.73Å
247Y97.1Very high92.7Very high47 Ų4764.1 Ų64.118%0.18435%0.347CS..  trans-138.9162169.168.2-81.6000108.4Y221 P229 F230 G245 F249 I265 S266 L269Y221-Y247 HydrophobicContact CD2-CD2 4.39Å; Y221-Y247 HydrophobicContact CE2-CD2 4.14Å; P229-Y247 HydrophobicContact CB-CG 4.31Å; F230-Y247 AromaticContact CE1-CD1 3.85Å; F230-Y247 HydrophobicContact CE1-CD1 3.85Å; F230-Y247 HydrophobicContact CE1-CG 4.31Å; F230-Y247 AromaticContact CZ-CD1 3.77Å; F230-Y247 HydrophobicContact CZ-CD1 3.77Å; F230-Y247 HydrophobicContact CZ-CG 4.38Å; G245-Y247 VanDerWaalsContact O-CD1 3.31Å; G245-Y247 WeakPolarHBondContact O-CD1 3.36Å; G245-Y247 PolarHBondContact O-N 3.03Å; Y247-F249 HydrophobicContact CD2-CE1 4.49Å; Y247-F249 HydrophobicContact CD2-CZ 4.33Å; Y247-F249 HydrophobicContact CE2-CE1 4.22Å; Y247-F249 AromaticContact CE2-CE2 3.95Å; Y247-F249 HydrophobicContact CE2-CE2 3.95Å; Y247-F249 AromaticContact CE2-CZ 3.65Å; Y247-F249 HydrophobicContact CE2-CZ 3.65Å; Y247-I265 HydrophobicContact CE2-CG2 4.39Å; Y247-S266 VanDerWaalsContact OH-CA 3.24Å; Y247-S266 WeakPolarHBondContact OH-CA 3.29Å; Y247-S266 PolarHBondContact OH-OG 3.15Å; Y247-S266 VanDerWaalsContact OH-OG 3.14Å; Y247-L269 HydrophobicContact CD1-CB 4.41Å; Y247-L269 HydrophobicContact CD1-CD1 4.16Å; Y247-L269 HydrophobicContact CD2-CD1 4.35Å; Y247-L269 HydrophobicContact CE1-CB 3.63Å; Y247-L269 HydrophobicContact CE1-CD1 4.02Å; Y247-L269 HydrophobicContact CE1-CG 4.49Å; Y247-L269 HydrophobicContact CE2-CD1 4.21Å; Y247-L269 HydrophobicContact CG-CD1 4.34Å
248D94.1Very high92.6Very high90 Ų9063 Ų6348%0.48135%0.345SS..  trans-142.8169177.167.264.1000111.4Y221 S250Y221-D248 PolarHBondContact OH-O 2.92Å; D248-S250 WeakPolarHBondContact OD1-CB 3.46Å; D248-S250 PolarHBondContact OD1-N 3.1Å; D248-S250 PolarHBondContact OD1-OG 3.07Å
249F94.8Very high92.4Very high50 Ų5067.8 Ų67.822%0.21937%0.371CS..SBendtrans-110.731.7175.6-56.1-66.1000110.9Y221 Y247 W254 K262 I265Y221-F249 HydrophobicContact CD2-CD1 4.4Å; Y221-F249 AromaticContact CD2-CE1 3.87Å; Y221-F249 HydrophobicContact CD2-CE1 3.87Å; Y221-F249 AromaticContact CE2-CD1 3.9Å; Y221-F249 HydrophobicContact CE2-CD1 3.9Å; Y221-F249 AromaticContact CE2-CE1 3.8Å; Y221-F249 HydrophobicContact CE2-CE1 3.8Å; Y247-F249 HydrophobicContact CD2-CE1 4.49Å; Y247-F249 HydrophobicContact CD2-CZ 4.33Å; Y247-F249 HydrophobicContact CE2-CE1 4.22Å; Y247-F249 AromaticContact CE2-CE2 3.95Å; Y247-F249 HydrophobicContact CE2-CE2 3.95Å; Y247-F249 AromaticContact CE2-CZ 3.65Å; Y247-F249 HydrophobicContact CE2-CZ 3.65Å; F249-W254 HydrophobicContact CB-CB 4.06Å; F249-W254 HydrophobicContact CB-CD2 4.22Å; F249-W254 HydrophobicContact CB-CG 3.92Å; F249-W254 AromaticContact CD1-CD2 3.5Å; F249-W254 HydrophobicContact CD1-CD2 3.5Å; F249-W254 AromaticContact CD1-CE2 3.57Å; F249-W254 AromaticContact CD1-CE3 3.65Å; F249-W254 HydrophobicContact CD1-CE3 3.65Å; F249-W254 HydrophobicContact CD1-CG 4.07Å; F249-W254 HydrophobicContact CD1-CH2 4.03Å; F249-W254 AromaticContact CD1-CZ2 3.86Å; F249-W254 HydrophobicContact CD1-CZ2 3.86Å; F249-W254 AromaticContact CD1-CZ3 3.91Å; F249-W254 HydrophobicContact CD1-CZ3 3.91Å; F249-W254 HydrophobicContact CE1-CD2 4.31Å; F249-W254 HydrophobicContact CE1-CE3 4.16Å; F249-W254 AromaticContact CE1-CH2 3.87Å; F249-W254 HydrophobicContact CE1-CH2 3.87Å; F249-W254 AromaticContact CE1-CZ2 3.98Å; F249-W254 HydrophobicContact CE1-CZ2 3.98Å; F249-W254 AromaticContact CE1-CZ3 3.93Å; F249-W254 HydrophobicContact CE1-CZ3 3.93Å; F249-W254 HydrophobicContact CG-CD2 4.3Å; F249-W254 HydrophobicContact CG-CE3 4.46Å; F249-W254 HydrophobicContact CG-CG 4.5Å; F249-W254 WeakPolarHBondContact O-CB 3.25Å; F249-K262 HydrophobicContact CB-CD 4.25Å; F249-K262 HydrophobicContact CD1-CG 4.18Å; F249-K262 HydrophobicContact CD2-CB 4.08Å; F249-K262 HydrophobicContact CD2-CD 4.35Å; F249-K262 HydrophobicContact CD2-CG 4.15Å; F249-K262 HydrophobicContact CE1-CB 4.48Å; F249-K262 HydrophobicContact CE1-CG 4.34Å; F249-K262 HydrophobicContact CE2-CB 3.86Å; F249-K262 HydrophobicContact CE2-CG 4.32Å; F249-K262 HydrophobicContact CG-CB 4.47Å; F249-K262 HydrophobicContact CG-CD 4.23Å; F249-K262 HydrophobicContact CG-CG 4.06Å; F249-K262 HydrophobicContact CZ-CB 4.06Å; F249-K262 HydrophobicContact CZ-CG 4.39Å; F249-I265 HydrophobicContact CE1-CB 4.4Å; F249-I265 HydrophobicContact CE1-CD1 4.3Å; F249-I265 HydrophobicContact CE1-CG2 4.09Å; F249-I265 HydrophobicContact CZ-CB 4.05Å; F249-I265 HydrophobicContact CZ-CG2 3.87Å
250S85Confident92.4Very high95 Ų9568.8 Ų68.866%0.66438%0.378SS*.  trans-83.1-15.4-17472.10000113.6D248D248-S250 WeakPolarHBondContact OD1-CB 3.46Å; D248-S250 PolarHBondContact OD1-N 3.1Å; D248-S250 PolarHBondContact OD1-OG 3.07Å
251S82.9Confident92.4Very high29 Ų2961.7 Ų61.720%0.20335%0.351CS..SBendtrans-69.8149.3-177.786.20000111.5E253 W254S251-E253 WeakPolarHBondContact CB-OE2 3.28Å; S251-E253 PolarHBondContact O-N 3.23Å; S251-E253 PolarHBondContact OG-OE2 3.19Å; S251-W254 WeakPolarHBondContact O-CB 3.35Å; S251-W254 PolarHBondContact O-N 3.08Å
252P84.1Confident92.4Very high86 Ų8660.9 Ų60.956%0.55835%0.347SS*.G310 helixtrans-55.8-27.3-177.5-26.935.5000114.1W254 E255P252-W254 PolarHBondContact O-N 3.01Å; P252-E255 WeakPolarHBondContact O-CB 3.34Å; P252-E255 PolarHBondContact O-N 3.14Å; P252-E255 VanDerWaalsContact O-N 3.16Å
253E85.5Confident92.4Very high86 Ų8664.2 Ų64.240%0.40236%0.364SS..G310 helixtrans-62.8-19.7177.7-59.277.3-166.100113.2S251 R257S251-E253 WeakPolarHBondContact CB-OE2 3.28Å; S251-E253 PolarHBondContact O-N 3.23Å; S251-E253 PolarHBondContact OG-OE2 3.19Å; E253-R257 WeakPolarHBondContact O-CG 3.26Å
254W89.6Confident92.4Very high1 Ų162.2 Ų62.20%0.00435%0.354CS..G310 helixtrans-95.2-9.1178.1-69.6107.5000114.3Y221 L224 A225 F249 S251 P252 D256 R257 V261 K262 I265Y221-W254 AromaticContact CD1-CZ2 3.97Å; Y221-W254 HydrophobicContact CD1-CZ2 3.97Å; Y221-W254 AromaticContact CD2-CH2 4Å; Y221-W254 HydrophobicContact CD2-CH2 4Å; Y221-W254 AromaticContact CD2-CZ2 3.38Å; Y221-W254 HydrophobicContact CD2-CZ2 3.38Å; Y221-W254 AromaticContact CE1-CZ2 3.96Å; Y221-W254 HydrophobicContact CE1-CZ2 3.96Å; Y221-W254 AromaticContact CE2-CE2 3.71Å; Y221-W254 HydrophobicContact CE2-CH2 4.31Å; Y221-W254 AromaticContact CE2-CZ2 3.35Å; Y221-W254 HydrophobicContact CE2-CZ2 3.35Å; Y221-W254 AromaticContact CE2-NE1 3.71Å; Y221-W254 HydrophobicContact CG-CH2 4.29Å; Y221-W254 AromaticContact CG-CZ2 3.69Å; Y221-W254 HydrophobicContact CG-CZ2 3.69Å; Y221-W254 AromaticContact CZ-CE2 3.79Å; Y221-W254 AromaticContact CZ-CZ2 3.65Å; Y221-W254 AromaticContact CZ-NE1 3.39Å; Y221-W254 PolarHBondContact OH-NE1 3.22Å; Y221-W254 VanDerWaalsContact OH-NE1 3.14Å; L224-W254 HydrophobicContact CB-CH2 3.88Å; L224-W254 HydrophobicContact CB-CZ3 4.25Å; L224-W254 HydrophobicContact CD1-CH2 4.14Å; L224-W254 HydrophobicContact CD1-CZ3 4.21Å; A225-W254 HydrophobicContact CB-CZ2 3.78Å; F249-W254 HydrophobicContact CB-CB 4.06Å; F249-W254 HydrophobicContact CB-CD2 4.22Å; F249-W254 HydrophobicContact CB-CG 3.92Å; F249-W254 AromaticContact CD1-CD2 3.5Å; F249-W254 HydrophobicContact CD1-CD2 3.5Å; F249-W254 AromaticContact CD1-CE2 3.57Å; F249-W254 AromaticContact CD1-CE3 3.65Å; F249-W254 HydrophobicContact CD1-CE3 3.65Å; F249-W254 HydrophobicContact CD1-CG 4.07Å; F249-W254 HydrophobicContact CD1-CH2 4.03Å; F249-W254 AromaticContact CD1-CZ2 3.86Å; F249-W254 HydrophobicContact CD1-CZ2 3.86Å; F249-W254 AromaticContact CD1-CZ3 3.91Å; F249-W254 HydrophobicContact CD1-CZ3 3.91Å; F249-W254 HydrophobicContact CE1-CD2 4.31Å; F249-W254 HydrophobicContact CE1-CE3 4.16Å; F249-W254 AromaticContact CE1-CH2 3.87Å; F249-W254 HydrophobicContact CE1-CH2 3.87Å; F249-W254 AromaticContact CE1-CZ2 3.98Å; F249-W254 HydrophobicContact CE1-CZ2 3.98Å; F249-W254 AromaticContact CE1-CZ3 3.93Å; F249-W254 HydrophobicContact CE1-CZ3 3.93Å; F249-W254 HydrophobicContact CG-CD2 4.3Å; F249-W254 HydrophobicContact CG-CE3 4.46Å; F249-W254 HydrophobicContact CG-CG 4.5Å; F249-W254 WeakPolarHBondContact O-CB 3.25Å; S251-W254 WeakPolarHBondContact O-CB 3.35Å; S251-W254 PolarHBondContact O-N 3.08Å; P252-W254 PolarHBondContact O-N 3.01Å; W254-D256 VanDerWaalsContact C-N 3.31Å; W254-D256 PolarHBondContact O-N 3.21Å; W254-R257 HydrophobicContact CE3-CB 3.83Å; W254-R257 HydrophobicContact CE3-CG 3.82Å; W254-R257 HydrophobicContact CZ3-CB 4.33Å; W254-R257 HydrophobicContact CZ3-CG 4.31Å; W254-R257 PolarHBondContact O-N 3.16Å; W254-V261 HydrophobicContact CZ3-CG1 4.4Å; W254-K262 HydrophobicContact CE3-CG 4.04Å; W254-K262 HydrophobicContact CZ3-CG 4.3Å; W254-K262 WeakPolarHBondContact O-CE 3.18Å; W254-K262 PolarHBondContact O-NZ 3.3Å; W254-I265 HydrophobicContact CH2-CD1 3.42Å; W254-I265 VanDerWaalsContact CH2-CD1 3.42Å; W254-I265 HydrophobicContact CZ2-CD1 4.49Å; W254-I265 HydrophobicContact CZ3-CD1 3.86Å
255E85.8Confident92.5Very high151 Ų15158.8 Ų58.871%0.70633%0.325SS*.THydrogen-bonded Turntrans-60.9-40.7-179.6-71.7-177.5-175.400111.7P252P252-E255 WeakPolarHBondContact O-CB 3.34Å; P252-E255 PolarHBondContact O-N 3.14Å; P252-E255 VanDerWaalsContact O-N 3.16Å
256D85.1Confident92.6Very high157 Ų15760 Ų6084%0.8433%0.332SS*.THydrogen-bonded Turntrans-90.62.4-177.9-67.7-37.8000113.6W254W254-D256 VanDerWaalsContact C-N 3.31Å; W254-D256 PolarHBondContact O-N 3.21Å
257R90.5Very high92.6Very high35 Ų3562.5 Ų62.513%0.13233%0.33CS..SBendtrans-92.7137.1-179.1-55.2-59.8-177.5165.72110.7L122 L224 E253 W254 V261 K262L122-R257 VanDerWaalsContact O-CZ 3.28Å; L122-R257 PolarHBondContact O-NH1 3.39Å; L122-R257 PolarHBondContact O-NH2 2.69Å; L224-R257 PolarHBondContact O-NH2 2.85Å; E253-R257 WeakPolarHBondContact O-CG 3.26Å; W254-R257 HydrophobicContact CE3-CB 3.83Å; W254-R257 HydrophobicContact CE3-CG 3.82Å; W254-R257 HydrophobicContact CZ3-CB 4.33Å; W254-R257 HydrophobicContact CZ3-CG 4.31Å; W254-R257 PolarHBondContact O-N 3.16Å; R257-V261 HydrophobicContact CB-CG1 3.98Å; R257-K262 WeakPolarHBondContact O-CE 3.44Å; R257-K262 PolarHBondContact O-NZ 2.83Å
258S93.5Very high92.7Very high39 Ų3960.2 Ų60.227%0.27332%0.322SS..  trans-62.5147.4-178.163.70000112.4E124 T260 V261 K262E124-S258 VanDerWaalsContact CD-OG 3.29Å; E124-S258 WeakPolarHBondContact OE1-CB 3.42Å; E124-S258 PolarHBondContact OE1-N 3.39Å; E124-S258 PolarHBondContact OE1-OG 3.24Å; E124-S258 PolarHBondContact OE2-OG 2.87Å; E124-S258 VanDerWaalsContact OE2-OG 3.08Å; S258-T260 PolarHBondContact O-N 3.44Å; S258-V261 VanDerWaalsContact O-CG1 3.25Å; S258-V261 WeakPolarHBondContact O-CG1 3.48Å; S258-V261 PolarHBondContact O-N 3.18Å; S258-V261 VanDerWaalsContact O-N 3.14Å; S258-V261 PolarHBondContact OG-N 3.11Å; S258-K262 PolarHBondContact O-N 2.94Å
259D94.2Very high92.9Very high126 Ų12656.3 Ų56.367%0.67430%0.3SS*.Hα-helixtrans-62.6-25.2172.6-61.9-35.3000111.5V261 K262 D263D259-V261 PolarHBondContact O-N 2.92Å; D259-K262 PolarHBondContact O-N 3.36Å; D259-D263 WeakPolarHBondContact O-CB 3.37Å; D259-D263 PolarHBondContact O-N 2.95Å
260T95.9Very high93.1Very high50 Ų5055.4 Ų55.431%0.30730%0.299SS..Hα-helixtrans-61.4-40.7174.4-50.70000112.7S258 L264 H285 T286 F287S258-T260 PolarHBondContact O-N 3.44Å; T260-L264 PolarHBondContact O-N 2.84Å; T260-H285 PolarHBondContact O-CE1 3.24Å; T260-T286 WeakPolarHBondContact CG2-OG1 3.44Å; T260-F287 HydrophobicContact CG2-CB 4.02Å
261V96.9Very high93.8Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-76.1-35.4179.178.10000111.6E124 M220 L224 W254 R257 S258 D259 L264 I265 F287E124-V261 HydrophobicContact CG-CG1 4.47Å; E124-V261 WeakPolarHBondContact OE1-CG1 3.48Å; M220-V261 HydrophobicContact CE-CG2 3.34Å; L224-V261 HydrophobicContact CD1-CG1 4.27Å; L224-V261 HydrophobicContact CD1-CG2 3.41Å; L224-V261 VanDerWaalsContact CD1-CG2 3.41Å; W254-V261 HydrophobicContact CZ3-CG1 4.4Å; R257-V261 HydrophobicContact CB-CG1 3.98Å; S258-V261 VanDerWaalsContact O-CG1 3.25Å; S258-V261 WeakPolarHBondContact O-CG1 3.48Å; S258-V261 PolarHBondContact O-N 3.18Å; S258-V261 VanDerWaalsContact O-N 3.14Å; S258-V261 PolarHBondContact OG-N 3.11Å; D259-V261 PolarHBondContact O-N 2.92Å; V261-L264 PolarHBondContact O-N 3.37Å; V261-I265 WeakPolarHBondContact O-CG1 3.31Å; V261-I265 PolarHBondContact O-N 2.94Å; V261-I265 VanDerWaalsContact O-N 3.07Å; V261-F287 HydrophobicContact CB-CD2 3.93Å; V261-F287 HydrophobicContact CB-CE2 3.81Å; V261-F287 HydrophobicContact CG2-CD2 3.91Å; V261-F287 HydrophobicContact CG2-CE2 3.5Å; V261-F287 VanDerWaalsContact CG2-CE2 3.5Å; V261-F287 HydrophobicContact CG2-CZ 3.93Å
262K98.1Very high94.5Very high38 Ų3854.6 Ų54.617%0.16529%0.287CS..Hα-helixtrans-63.5-46.4174.8-64.9172.8-173.1166.90111.2F249 W254 R257 S258 D259 L264 I265 S266F249-K262 HydrophobicContact CB-CD 4.25Å; F249-K262 HydrophobicContact CD1-CG 4.18Å; F249-K262 HydrophobicContact CD2-CB 4.08Å; F249-K262 HydrophobicContact CD2-CD 4.35Å; F249-K262 HydrophobicContact CD2-CG 4.15Å; F249-K262 HydrophobicContact CE1-CB 4.48Å; F249-K262 HydrophobicContact CE1-CG 4.34Å; F249-K262 HydrophobicContact CE2-CB 3.86Å; F249-K262 HydrophobicContact CE2-CG 4.32Å; F249-K262 HydrophobicContact CG-CB 4.47Å; F249-K262 HydrophobicContact CG-CD 4.23Å; F249-K262 HydrophobicContact CG-CG 4.06Å; F249-K262 HydrophobicContact CZ-CB 4.06Å; F249-K262 HydrophobicContact CZ-CG 4.39Å; W254-K262 HydrophobicContact CE3-CG 4.04Å; W254-K262 HydrophobicContact CZ3-CG 4.3Å; W254-K262 WeakPolarHBondContact O-CE 3.18Å; W254-K262 PolarHBondContact O-NZ 3.3Å; R257-K262 WeakPolarHBondContact O-CE 3.44Å; R257-K262 PolarHBondContact O-NZ 2.83Å; S258-K262 PolarHBondContact O-N 2.94Å; D259-K262 PolarHBondContact O-N 3.36Å; K262-L264 PolarHBondContact O-N 3.41Å; K262-I265 PolarHBondContact O-N 3.44Å; K262-S266 PolarHBondContact O-N 3.24Å; K262-S266 PolarHBondContact O-OG 2.97Å
263D98.3Very high95.1Very high69 Ų6952.7 Ų52.737%0.36927%0.274SS..Hα-helixtrans-58.2-47.2175.5-178.962.9000111.1D259 I265 S266 R267 H285D259-D263 WeakPolarHBondContact O-CB 3.37Å; D259-D263 PolarHBondContact O-N 2.95Å; D263-I265 PolarHBondContact O-N 2.95Å; D263-S266 PolarHBondContact O-N 3.43Å; D263-S266 VanDerWaalsContact O-N 3.09Å; D263-R267 WeakPolarHBondContact O-CG 3.21Å; D263-R267 PolarHBondContact O-N 2.97Å; D263-R267 IonicContact OD1-NE 2.72Å; D263-H285 IonicContact OD2-CE1 3.29Å; D263-H285 IonicContact OD2-NE2 3.29Å; D263-H285 PolarHBondContact OD2-NE2 3.3Å; D263-H285 VanDerWaalsContact OD2-NE2 3.1Å
264L98.5Very high95.6Very high0 Ų058 Ų580%029%0.291CS..Hα-helixtrans-58.6-47.8178.2178.553.3000112.3M220 T260 V261 K262 S266 R267 M268 V282 H285 F287 F288M220-L264 HydrophobicContact CE-CD2 3.75Å; M220-L264 HydrophobicContact CE-CG 4.39Å; M220-L264 HydrophobicContact SD-CD2 3.94Å; M220-L264 HydrophobicContact SD-CG 4.18Å; T260-L264 PolarHBondContact O-N 2.84Å; V261-L264 PolarHBondContact O-N 3.37Å; K262-L264 PolarHBondContact O-N 3.41Å; L264-S266 PolarHBondContact O-N 2.81Å; L264-R267 PolarHBondContact O-N 3.3Å; L264-M268 HydrophobicContact CD1-CG 4.29Å; L264-M268 HydrophobicContact CD1-SD 4.23Å; L264-M268 HydrophobicContact CG-SD 4.18Å; L264-M268 WeakPolarHBondContact O-CG 3.24Å; L264-M268 PolarHBondContact O-N 3.41Å; L264-M268 VanDerWaalsContact O-N 3.14Å; L264-V282 HydrophobicContact CD1-CB 4.37Å; L264-V282 HydrophobicContact CD1-CG1 3.94Å; L264-V282 HydrophobicContact CD1-CG2 4.26Å; L264-V282 HydrophobicContact CD2-CG1 4.39Å; L264-H285 HydrophobicContact CD1-CB 3.87Å; L264-H285 HydrophobicContact CD2-CB 4.5Å; L264-F287 HydrophobicContact CD2-CB 3.75Å; L264-F287 HydrophobicContact CD2-CD1 3.64Å; L264-F287 HydrophobicContact CD2-CG 3.9Å; L264-F288 HydrophobicContact CD2-CD2 4.18Å; L264-F288 HydrophobicContact CD2-CE2 3.54Å; L264-F288 HydrophobicContact CD2-CZ 4.25Å
265I98.7Very high96Very high0 Ų064.4 Ų64.40%032%0.321CS..Hα-helixtrans-59-41.2177.3-69.6167.6000110.2M220 Y221 L224 Y247 F249 W254 V261 K262 D263 R267 M268 L269M220-I265 HydrophobicContact CB-CG1 4.34Å; M220-I265 HydrophobicContact CG-CD1 4.2Å; M220-I265 HydrophobicContact CG-CG1 3.96Å; M220-I265 HydrophobicContact SD-CG1 3.87Å; Y221-I265 HydrophobicContact CD2-CG2 4.2Å; L224-I265 HydrophobicContact CD1-CD1 4.03Å; Y247-I265 HydrophobicContact CE2-CG2 4.39Å; F249-I265 HydrophobicContact CE1-CB 4.4Å; F249-I265 HydrophobicContact CE1-CD1 4.3Å; F249-I265 HydrophobicContact CE1-CG2 4.09Å; F249-I265 HydrophobicContact CZ-CB 4.05Å; F249-I265 HydrophobicContact CZ-CG2 3.87Å; W254-I265 HydrophobicContact CH2-CD1 3.42Å; W254-I265 VanDerWaalsContact CH2-CD1 3.42Å; W254-I265 HydrophobicContact CZ2-CD1 4.49Å; W254-I265 HydrophobicContact CZ3-CD1 3.86Å; V261-I265 WeakPolarHBondContact O-CG1 3.31Å; V261-I265 PolarHBondContact O-N 2.94Å; V261-I265 VanDerWaalsContact O-N 3.07Å; K262-I265 PolarHBondContact O-N 3.44Å; D263-I265 PolarHBondContact O-N 2.95Å; I265-R267 VanDerWaalsContact C-N 3.25Å; I265-R267 PolarHBondContact O-N 3.29Å; I265-M268 PolarHBondContact O-N 2.94Å; I265-M268 VanDerWaalsContact O-N 3.08Å; I265-L269 HydrophobicContact CG2-CD1 3.68Å; I265-L269 HydrophobicContact CG2-CG 4.13Å; I265-L269 PolarHBondContact O-N 2.82Å
266S98.5Very high96.6Very high44 Ų4457.7 Ų57.731%0.30829%0.289SS..Hα-helixtrans-65.6-24.1177.1-65.60000114.8Y247 K262 D263 L264 V270Y247-S266 VanDerWaalsContact OH-CA 3.24Å; Y247-S266 WeakPolarHBondContact OH-CA 3.29Å; Y247-S266 PolarHBondContact OH-OG 3.15Å; Y247-S266 VanDerWaalsContact OH-OG 3.14Å; K262-S266 PolarHBondContact O-N 3.24Å; K262-S266 PolarHBondContact O-OG 2.97Å; D263-S266 PolarHBondContact O-N 3.43Å; D263-S266 VanDerWaalsContact O-N 3.09Å; L264-S266 PolarHBondContact O-N 2.81Å; S266-V270 WeakPolarHBondContact O-CG2 3.27Å
267R98.6Very high97.2Very high119 Ų11952.4 Ų52.445%0.44926%0.259SS..Hα-helixtrans-81.8-21.7172-60.9-66.7-174.9164.40.6113.6D263 L264 I265 F277D263-R267 WeakPolarHBondContact O-CG 3.21Å; D263-R267 PolarHBondContact O-N 2.97Å; D263-R267 IonicContact OD1-NE 2.72Å; L264-R267 PolarHBondContact O-N 3.3Å; I265-R267 VanDerWaalsContact C-N 3.25Å; I265-R267 PolarHBondContact O-N 3.29Å; R267-F277 HydrophobicContact CB-CD1 3.9Å; R267-F277 HydrophobicContact CB-CD2 3.5Å; R267-F277 HydrophobicContact CB-CE1 3.91Å; R267-F277 HydrophobicContact CB-CE2 3.5Å; R267-F277 VanDerWaalsContact CB-CE2 3.5Å; R267-F277 HydrophobicContact CB-CG 3.72Å; R267-F277 HydrophobicContact CB-CZ 3.72Å; R267-F277 HydrophobicContact CG-CD1 4.46Å; R267-F277 HydrophobicContact CG-CD2 4.16Å; R267-F277 HydrophobicContact CG-CE1 3.96Å; R267-F277 HydrophobicContact CG-CE2 3.6Å; R267-F277 HydrophobicContact CG-CZ 3.5Å; R267-F277 VanDerWaalsContact CG-CZ 3.5Å; R267-F277 PolarHBondContact O-N 3.24Å
268M98.8Very high97.6Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-88.2-37.6175.8-63.3176.477.600112.2M131 L135 I213 A216 M220 L264 I265 V270 R276 V282M131-M268 HydrophobicContact CE-CE 4.4Å; L135-M268 HydrophobicContact CD1-CE 4.35Å; L135-M268 HydrophobicContact CD2-CE 4.43Å; I213-M268 HydrophobicContact CG2-CB 4.21Å; I213-M268 HydrophobicContact CG2-CE 4.1Å; I213-M268 HydrophobicContact CG2-CG 4.11Å; A216-M268 HydrophobicContact CB-CE 3.59Å; M220-M268 HydrophobicContact SD-SD 4.1Å; L264-M268 HydrophobicContact CD1-CG 4.29Å; L264-M268 HydrophobicContact CD1-SD 4.23Å; L264-M268 HydrophobicContact CG-SD 4.18Å; L264-M268 WeakPolarHBondContact O-CG 3.24Å; L264-M268 PolarHBondContact O-N 3.41Å; L264-M268 VanDerWaalsContact O-N 3.14Å; I265-M268 PolarHBondContact O-N 2.94Å; I265-M268 VanDerWaalsContact O-N 3.08Å; M268-V270 VanDerWaalsContact C-N 3.28Å; M268-V270 PolarHBondContact O-N 3.26Å; M268-R276 WeakPolarHBondContact O-CD 3.23Å; M268-R276 VanDerWaalsContact O-CG 3.23Å; M268-R276 WeakPolarHBondContact O-CG 3.33Å; M268-V282 HydrophobicContact CE-CG1 4.42Å; M268-V282 HydrophobicContact CE-CG2 4.33Å; M268-V282 HydrophobicContact CG-CG2 3.76Å; M268-V282 HydrophobicContact SD-CG1 4.17Å; M268-V282 HydrophobicContact SD-CG2 4.16Å
269L98.8Very high97.8Very high7 Ų752.3 Ų52.34%0.03726%0.261CS..SBendtrans-92.350.6179.7-61.3-176.3000112W214 V218 P229 F230 Y247 I265W214-L269 HydrophobicContact CD2-CD2 3.92Å; W214-L269 HydrophobicContact CE3-CD2 4.12Å; W214-L269 HydrophobicContact CG-CD2 4.33Å; W214-L269 HydrophobicContact CZ2-CD2 4.46Å; W214-L269 HydrophobicContact CZ3-CB 4.29Å; W214-L269 HydrophobicContact CZ3-CD2 4.48Å; W214-L269 WeakPolarHBondContact O-CD2 3.16Å; V218-L269 HydrophobicContact CG2-CD2 3.8Å; P229-L269 HydrophobicContact CB-CD1 4.4Å; P229-L269 HydrophobicContact CG-CD1 4.27Å; F230-L269 HydrophobicContact CE2-CD1 4.46Å; F230-L269 HydrophobicContact CE2-CD2 4.43Å; F230-L269 HydrophobicContact CZ-CD1 4.44Å; Y247-L269 HydrophobicContact CD1-CB 4.41Å; Y247-L269 HydrophobicContact CD1-CD1 4.16Å; Y247-L269 HydrophobicContact CD2-CD1 4.35Å; Y247-L269 HydrophobicContact CE1-CB 3.63Å; Y247-L269 HydrophobicContact CE1-CD1 4.02Å; Y247-L269 HydrophobicContact CE1-CG 4.49Å; Y247-L269 HydrophobicContact CE2-CD1 4.21Å; Y247-L269 HydrophobicContact CG-CD1 4.34Å; I265-L269 HydrophobicContact CG2-CD1 3.68Å; I265-L269 HydrophobicContact CG2-CG 4.13Å; I265-L269 PolarHBondContact O-N 2.82Å
270V98.6Very high98Very high31 Ų3148.6 Ų48.619%0.18824%0.244CC..  trans-95.9128174.7-179.40000109.1S266 M268 Q275 R276S266-V270 WeakPolarHBondContact O-CG2 3.27Å; M268-V270 VanDerWaalsContact C-N 3.28Å; M268-V270 PolarHBondContact O-N 3.26Å; V270-Q275 HydrophobicContact CG1-CB 3.87Å; V270-R276 HydrophobicContact CB-CB 4.17Å; V270-R276 HydrophobicContact CB-CG 4.39Å; V270-R276 VanDerWaalsContact O-CZ 3.28Å; V270-R276 PolarHBondContact O-NE 3.38Å; V270-R276 PolarHBondContact O-NH2 2.95Å
271V98.2Very high98.1Very high50 Ų5049.7 Ų49.730%0.30325%0.248SC..SBendtrans-62-49.6-177.5176.10000111.1P193 P273 R276P193-V271 HydrophobicContact CB-CG1 4.02Å; P193-V271 HydrophobicContact CG-CB 4.48Å; P193-V271 HydrophobicContact CG-CG1 4.15Å; P193-V271 HydrophobicContact CG-CG2 4.38Å; V271-P273 VanDerWaalsContact O-CD 3.23Å; V271-P273 WeakPolarHBondContact O-CD 3.42Å; V271-R276 PolarHBondContact O-NH2 3.35Å; V271-R276 VanDerWaalsContact O-NH2 3.17Å
272D97.6Very high98.2Very high58 Ų5849.8 Ų49.831%0.3125%0.249SC..SBendtrans-69.6112.3175.4-179.7-2.2000110.6R274 Q275 R276D272-R274 PolarHBondContact O-N 3.4Å; D272-R274 VanDerWaalsContact O-N 3.13Å; D272-R274 WeakPolarHBondContact OD1-CB 3.43Å; D272-R274 PolarHBondContact OD1-N 3.14Å; D272-Q275 HydrophobicContact CB-CB 4.35Å; D272-Q275 HydrophobicContact CB-CG 4.33Å; D272-Q275 PolarHBondContact O-N 2.82Å; D272-Q275 VanDerWaalsContact O-N 3.08Å; D272-Q275 PolarHBondContact OD2-NE2 2.9Å; D272-R276 PolarHBondContact O-N 3.3Å; D272-R276 VanDerWaalsContact O-N 3.16Å
273P97.1Very high98.1Very high46 Ų4649 Ų4930%0.29925%0.246SC..THydrogen-bonded Turntrans-64-19.5-177.826.4-34.7000113.3E194 A210 V271 Q275E194-P273 HydrophobicContact CG-CG 4.45Å; A210-P273 HydrophobicContact CB-CB 3.83Å; V271-P273 VanDerWaalsContact O-CD 3.23Å; V271-P273 WeakPolarHBondContact O-CD 3.42Å; P273-Q275 VanDerWaalsContact C-N 3.34Å
274R96.1Very high98.1Very high198 Ų19851.9 Ų51.975%0.74726%0.262SS*.THydrogen-bonded Turntrans-77.6-22.6178.1-57.1176.7-173.1175.23.2112.7D272D272-R274 PolarHBondContact O-N 3.4Å; D272-R274 VanDerWaalsContact O-N 3.13Å; D272-R274 WeakPolarHBondContact OD1-CB 3.43Å; D272-R274 PolarHBondContact OD1-N 3.14Å
275Q97.7Very high98Very high134 Ų13452.7 Ų52.763%0.62627%0.266SS*.THydrogen-bonded Turntrans-98.2-14176.8-65.5179.844.800112.3V270 D272 P273V270-Q275 HydrophobicContact CG1-CB 3.87Å; D272-Q275 HydrophobicContact CB-CB 4.35Å; D272-Q275 HydrophobicContact CB-CG 4.33Å; D272-Q275 PolarHBondContact O-N 2.82Å; D272-Q275 VanDerWaalsContact O-N 3.08Å; D272-Q275 PolarHBondContact OD2-NE2 2.9Å; P273-Q275 VanDerWaalsContact C-N 3.34Å
276R98.5Very high97.9Very high11 Ų1157 Ų574%0.04229%0.292CS..SBendtrans-66.9138.5175.5-163.3-179.9-59.41485.9110E194 A210 I213 M268 V270 V271 D272E194-R276 IonicContact OE1-CZ 3.04Å; E194-R276 IonicContact OE1-NH1 2.81Å; E194-R276 PolarHBondContact OE1-NH1 2.85Å; E194-R276 IonicContact OE1-NH2 3.69Å; E194-R276 PolarHBondContact OE1-NH2 3.5Å; E194-R276 IonicContact OE2-CZ 3.03Å; E194-R276 IonicContact OE2-NH1 3.28Å; E194-R276 IonicContact OE2-NH2 2.92Å; E194-R276 PolarHBondContact OE2-NH2 3.14Å; A210-R276 WeakPolarHBondContact O-CD 3.44Å; A210-R276 PolarHBondContact O-NH1 3.22Å; I213-R276 HydrophobicContact CG2-CG 4.31Å; M268-R276 WeakPolarHBondContact O-CD 3.23Å; M268-R276 VanDerWaalsContact O-CG 3.23Å; M268-R276 WeakPolarHBondContact O-CG 3.33Å; V270-R276 HydrophobicContact CB-CB 4.17Å; V270-R276 HydrophobicContact CB-CG 4.39Å; V270-R276 VanDerWaalsContact O-CZ 3.28Å; V270-R276 PolarHBondContact O-NE 3.38Å; V270-R276 PolarHBondContact O-NH2 2.95Å; V271-R276 PolarHBondContact O-NH2 3.35Å; V271-R276 VanDerWaalsContact O-NH2 3.17Å; D272-R276 PolarHBondContact O-N 3.3Å; D272-R276 VanDerWaalsContact O-N 3.16Å
277F98.5Very high97.7Very high46 Ų4655.1 Ų55.120%0.20228%0.278CS..PPolyproline II helixtrans-59.8148.8177.1-82.912000112.1I213 R267 D281 V282I213-F277 WeakPolarHBondContact CG2-O 3.34Å; R267-F277 HydrophobicContact CB-CD1 3.9Å; R267-F277 HydrophobicContact CB-CD2 3.5Å; R267-F277 HydrophobicContact CB-CE1 3.91Å; R267-F277 HydrophobicContact CB-CE2 3.5Å; R267-F277 VanDerWaalsContact CB-CE2 3.5Å; R267-F277 HydrophobicContact CB-CG 3.72Å; R267-F277 HydrophobicContact CB-CZ 3.72Å; R267-F277 HydrophobicContact CG-CD1 4.46Å; R267-F277 HydrophobicContact CG-CD2 4.16Å; R267-F277 HydrophobicContact CG-CE1 3.96Å; R267-F277 HydrophobicContact CG-CE2 3.6Å; R267-F277 HydrophobicContact CG-CZ 3.5Å; R267-F277 VanDerWaalsContact CG-CZ 3.5Å; R267-F277 PolarHBondContact O-N 3.24Å; F277-D281 HydrophobicContact CB-CB 3.88Å; F277-D281 HydrophobicContact CD1-CB 4.3Å; F277-D281 HydrophobicContact CD2-CB 3.9Å; F277-D281 HydrophobicContact CG-CB 3.78Å; F277-V282 HydrophobicContact CB-CG2 3.75Å; F277-V282 HydrophobicContact CD2-CG2 4.21Å
278T98.7Very high97.6Very high69 Ų6949.8 Ų49.842%0.42326%0.258SS..PPolyproline II helixtrans-81.8167165.268.40000110.6S280 D281 V282T278-S280 PolarHBondContact O-N 3.08Å; T278-D281 WeakPolarHBondContact CB-OD2 3.3Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.27Å; T278-D281 PolarHBondContact N-OD2 3.49Å; T278-D281 PolarHBondContact O-N 2.96Å; T278-D281 VanDerWaalsContact O-N 3.1Å; T278-D281 PolarHBondContact OG1-N 3.25Å; T278-D281 PolarHBondContact OG1-OD2 3.09Å; T278-V282 WeakPolarHBondContact O-CG2 3.44Å; T278-V282 PolarHBondContact O-N 3.09Å
279A98.2Very high97Very high3 Ų353 Ų533%0.02528%0.28CS..Hα-helixtrans-55.1-38.3174.100000112.1L135 L138 Q139 I213 V282 L283L135-A279 HydrophobicContact CD1-CB 4.26Å; L138-A279 HydrophobicContact CB-CB 4.16Å; Q139-A279 HydrophobicContact CB-CB 3.86Å; I213-A279 HydrophobicContact CD1-CB 3.87Å; A279-V282 PolarHBondContact O-N 2.85Å; A279-L283 WeakPolarHBondContact O-CG 3.31Å; A279-L283 PolarHBondContact O-N 3.08Å
280S98Very high95.3Very high47 Ų4760.7 Ų60.733%0.32932%0.316SS..Hα-helixtrans-64.6-43.9175.7-59.20000112.5Q139 T278 V282 L283 N284Q139-S280 PolarHBondContact NE2-OG 2.64Å; T278-S280 PolarHBondContact O-N 3.08Å; S280-V282 VanDerWaalsContact C-N 3.33Å; S280-V282 PolarHBondContact O-N 3.31Å; S280-L283 PolarHBondContact O-N 3.13Å; S280-N284 WeakPolarHBondContact O-CB 3.42Å; S280-N284 PolarHBondContact O-N 3.17Å; S280-N284 VanDerWaalsContact O-N 3.07Å; S280-N284 PolarHBondContact O-ND2 3.32Å; S280-N284 VanDerWaalsContact O-ND2 3.1Å
281D98.2Very high93.2Very high74 Ų7469.2 Ų69.240%0.39635%0.347SS..Hα-helixtrans-64-41.8177.8-58.1-44.7000111F277 T278 N284 H285F277-D281 HydrophobicContact CB-CB 3.88Å; F277-D281 HydrophobicContact CD1-CB 4.3Å; F277-D281 HydrophobicContact CD2-CB 3.9Å; F277-D281 HydrophobicContact CG-CB 3.78Å; T278-D281 WeakPolarHBondContact CB-OD2 3.3Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.27Å; T278-D281 PolarHBondContact N-OD2 3.49Å; T278-D281 PolarHBondContact O-N 2.96Å; T278-D281 VanDerWaalsContact O-N 3.1Å; T278-D281 PolarHBondContact OG1-N 3.25Å; T278-D281 PolarHBondContact OG1-OD2 3.09Å; D281-N284 PolarHBondContact O-N 2.9Å; D281-H285 PolarHBondContact O-N 2.96Å
282V98.2Very high90.9Very high1 Ų172 Ų721%0.00636%0.364CS..Hα-helixtrans-60.5-48.6175.3170.30000111L135 I213 L264 M268 F277 T278 A279 S280 N284 H285 F288L135-V282 HydrophobicContact CD1-CB 3.66Å; L135-V282 HydrophobicContact CD1-CG1 3.39Å; L135-V282 HydrophobicContact CD1-CG2 4.12Å; L135-V282 HydrophobicContact CG-CB 4.44Å; L135-V282 HydrophobicContact CG-CG1 3.68Å; I213-V282 HydrophobicContact CG2-CG2 4.28Å; L264-V282 HydrophobicContact CD1-CB 4.37Å; L264-V282 HydrophobicContact CD1-CG1 3.94Å; L264-V282 HydrophobicContact CD1-CG2 4.26Å; L264-V282 HydrophobicContact CD2-CG1 4.39Å; M268-V282 HydrophobicContact CE-CG1 4.42Å; M268-V282 HydrophobicContact CE-CG2 4.33Å; M268-V282 HydrophobicContact CG-CG2 3.76Å; M268-V282 HydrophobicContact SD-CG1 4.17Å; M268-V282 HydrophobicContact SD-CG2 4.16Å; F277-V282 HydrophobicContact CB-CG2 3.75Å; F277-V282 HydrophobicContact CD2-CG2 4.21Å; T278-V282 WeakPolarHBondContact O-CG2 3.44Å; T278-V282 PolarHBondContact O-N 3.09Å; A279-V282 PolarHBondContact O-N 2.85Å; S280-V282 VanDerWaalsContact C-N 3.33Å; S280-V282 PolarHBondContact O-N 3.31Å; V282-N284 PolarHBondContact O-N 2.83Å; V282-H285 WeakPolarHBondContact O-CB 3.19Å; V282-H285 PolarHBondContact O-N 3.02Å; V282-F288 HydrophobicContact CG1-CE2 3.67Å; V282-F288 HydrophobicContact CG1-CZ 4.42Å; V282-F288 WeakPolarHBondContact O-CD2 3.25Å; V282-F288 WeakPolarHBondContact O-CE2 3.45Å
283L97.6Very high88.7Confident22 Ų2274.6 Ų74.612%0.11538%0.381CS..Hα-helixtrans-64.1-28.9179.9-74.9168.1000113.3R132 L135 E136 Q139 A279 S280 H285 F288R132-L283 HydrophobicContact CG-CD2 4.21Å; L135-L283 HydrophobicContact CB-CD1 4.39Å; L135-L283 HydrophobicContact CB-CD2 3.79Å; L135-L283 HydrophobicContact CB-CG 3.91Å; E136-L283 HydrophobicContact CG-CD1 4.05Å; E136-L283 HydrophobicContact CG-CD2 4.07Å; Q139-L283 HydrophobicContact CB-CD1 4.28Å; A279-L283 WeakPolarHBondContact O-CG 3.31Å; A279-L283 PolarHBondContact O-N 3.08Å; S280-L283 PolarHBondContact O-N 3.13Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-F288 WeakPolarHBondContact O-CB 3.44Å
284N96.9Very high86.2Confident129 Ų12978.4 Ų78.469%0.6940%0.399SS*.THydrogen-bonded Turntrans-81.8-5.3175.1-71.4-34000113.5S280 D281 V282S280-N284 WeakPolarHBondContact O-CB 3.42Å; S280-N284 PolarHBondContact O-N 3.17Å; S280-N284 VanDerWaalsContact O-N 3.07Å; S280-N284 PolarHBondContact O-ND2 3.32Å; S280-N284 VanDerWaalsContact O-ND2 3.1Å; D281-N284 PolarHBondContact O-N 2.9Å; V282-N284 PolarHBondContact O-N 2.83Å
285H97.6Very high83.9Confident18 Ų1877.7 Ų77.78%0.08340%0.404CS..SBendtrans-64.6148.9179.2-170.4-100.3000112.1T260 D263 L264 D281 V282 L283 F287 F288 S289T260-H285 PolarHBondContact O-CE1 3.24Å; D263-H285 IonicContact OD2-CE1 3.29Å; D263-H285 IonicContact OD2-NE2 3.29Å; D263-H285 PolarHBondContact OD2-NE2 3.3Å; D263-H285 VanDerWaalsContact OD2-NE2 3.1Å; L264-H285 HydrophobicContact CD1-CB 3.87Å; L264-H285 HydrophobicContact CD2-CB 4.5Å; D281-H285 PolarHBondContact O-N 2.96Å; V282-H285 WeakPolarHBondContact O-CB 3.19Å; V282-H285 PolarHBondContact O-N 3.02Å; L283-H285 VanDerWaalsContact C-N 3.28Å; H285-F287 VanDerWaalsContact ND1-CB 3.34Å; H285-F287 WeakPolarHBondContact ND1-CB 3.41Å; H285-F287 PolarHBondContact ND1-N 3.04Å; H285-F287 VanDerWaalsContact ND1-N 3.13Å; H285-F287 PolarHBondContact O-N 2.67Å; H285-F288 PolarHBondContact O-N 3.31Å; H285-S289 PolarHBondContact O-N 3.22Å
286T95.3Very high81.9Confident89 Ų8976.8 Ų76.855%0.54641%0.407SS..G310 helixtrans-56.4-26.8-179.355.40000113.4T260 F288 S289T260-T286 WeakPolarHBondContact CG2-OG1 3.44Å; T286-F288 PolarHBondContact O-N 3.11Å; T286-S289 WeakPolarHBondContact O-CB 3.27Å; T286-S289 PolarHBondContact O-N 2.85Å; T286-S289 VanDerWaalsContact O-N 3.09Å
287F95.7Very high79.8Confident5 Ų587.5 Ų87.52%0.02245%0.448CS..G310 helixtrans-56.6-34.7172.8-178.7-105.5000113.3E124 R128 M220 T260 V261 L264 H285E124-F287 HydrophobicContact CB-CE2 4.38Å; R128-F287 HydrophobicContact CB-CE1 3.65Å; R128-F287 HydrophobicContact CB-CZ 3.67Å; R128-F287 WeakPolarHBondContact CD-O 3.1Å; R128-F287 HydrophobicContact CG-CD1 4.3Å; R128-F287 HydrophobicContact CG-CE1 3.79Å; R128-F287 HydrophobicContact CG-CZ 4.18Å; R128-F287 PolarHBondContact NE-O 3.2Å; M220-F287 HydrophobicContact CE-CD1 3.83Å; M220-F287 HydrophobicContact CE-CE1 3.44Å; M220-F287 VanDerWaalsContact CE-CE1 3.44Å; M220-F287 HydrophobicContact CE-CE2 4.31Å; M220-F287 HydrophobicContact CE-CG 4.39Å; M220-F287 HydrophobicContact CE-CZ 3.72Å; T260-F287 HydrophobicContact CG2-CB 4.02Å; V261-F287 HydrophobicContact CB-CD2 3.93Å; V261-F287 HydrophobicContact CB-CE2 3.81Å; V261-F287 HydrophobicContact CG2-CD2 3.91Å; V261-F287 HydrophobicContact CG2-CE2 3.5Å; V261-F287 VanDerWaalsContact CG2-CE2 3.5Å; V261-F287 HydrophobicContact CG2-CZ 3.93Å; L264-F287 HydrophobicContact CD2-CB 3.75Å; L264-F287 HydrophobicContact CD2-CD1 3.64Å; L264-F287 HydrophobicContact CD2-CG 3.9Å; H285-F287 VanDerWaalsContact ND1-CB 3.34Å; H285-F287 WeakPolarHBondContact ND1-CB 3.41Å; H285-F287 PolarHBondContact ND1-N 3.04Å; H285-F287 VanDerWaalsContact ND1-N 3.13Å; H285-F287 PolarHBondContact O-N 2.67Å
288F94.8Very high77.8Confident7 Ų793.8 Ų93.83%0.03148%0.478CS..G310 helixtrans-96.8-4177.9-65.5-72.7000113R128 M131 R132 L264 V282 L283 H285 T286 Q290R128-F288 HydrophobicContact CG-CD1 3.88Å; R128-F288 HydrophobicContact CG-CE1 4.12Å; M131-F288 HydrophobicContact CB-CE1 4.21Å; M131-F288 HydrophobicContact CB-CZ 3.95Å; R132-F288 HydrophobicContact CB-CD1 3.95Å; R132-F288 HydrophobicContact CB-CE1 3.78Å; R132-F288 PolarHBondContact NH2-O 3.35Å; L264-F288 HydrophobicContact CD2-CD2 4.18Å; L264-F288 HydrophobicContact CD2-CE2 3.54Å; L264-F288 HydrophobicContact CD2-CZ 4.25Å; V282-F288 HydrophobicContact CG1-CE2 3.67Å; V282-F288 HydrophobicContact CG1-CZ 4.42Å; V282-F288 WeakPolarHBondContact O-CD2 3.25Å; V282-F288 WeakPolarHBondContact O-CE2 3.45Å; L283-F288 WeakPolarHBondContact O-CB 3.44Å; H285-F288 PolarHBondContact O-N 3.31Å; T286-F288 PolarHBondContact O-N 3.11Å; F288-Q290 PolarHBondContact O-N 3.22Å
289S86.3Confident76Confident67 Ų6796.9 Ų96.947%0.46949%0.486SS..SBendtrans-64.4129.1170.4-64.40000108.9H285 T286 Y291H285-S289 PolarHBondContact O-N 3.22Å; T286-S289 WeakPolarHBondContact O-CB 3.27Å; T286-S289 PolarHBondContact O-N 2.85Å; T286-S289 VanDerWaalsContact O-N 3.09Å; S289-Y291 PolarHBondContact O-N 3.1Å
290Q62.7Low74.9Confident170 Ų17098.6 Ų98.679%0.79450%0.498SS*.  trans-60.7126.5166.8-79.8179.5-7.100106.9F288 V292F288-Q290 PolarHBondContact O-N 3.22Å; Q290-V292 PolarHBondContact O-N 3.22Å
291Y56.2Low73.9Confident209 Ų209100.4 Ų100.482%0.8251%0.508SS*.  trans-59.396.2158.9-91.3-95.3000105.9S289 V293S289-Y291 PolarHBondContact O-N 3.1Å; Y291-V293 PolarHBondContact O-N 3.09Å
292V48.9Very low73Confident109 Ų109105 Ų10566%0.66152%0.521SS*.  trans-61.897.1156.4-176.60000102.7Q290 N294Q290-V292 PolarHBondContact O-N 3.22Å; V292-N294 PolarHBondContact O-N 3.48Å
293V51.3Low71.9Confident113 Ų113113.9 Ų113.969%0.68556%0.555SS**  trans-63.888.3165-177.50000103.3Y291 E295Y291-V293 PolarHBondContact O-N 3.09Å; V293-E295 VanDerWaalsContact C-N 3.27Å; V293-E295 PolarHBondContact O-N 2.84Å
294N45.6Very low70.9Confident125 Ų125120.3 Ų120.367%0.66858%0.578SS**  trans-54.7111.1154.2-77.3-32.4000102.8V292 V296V292-N294 PolarHBondContact O-N 3.48Å; N294-V296 HydrophobicContact CB-CG2 3.81Å; N294-V296 PolarHBondContact O-N 3.47Å
295E47.7Very low70.4Confident183 Ų183120.7 Ų120.786%0.85557%0.573SS**  trans-65.564.6172.8-72.8-167.3155.300108.9V293 R297V293-E295 VanDerWaalsContact C-N 3.27Å; V293-E295 PolarHBondContact O-N 2.84Å; E295-R297 PolarHBondContact O-N 3.45Å
296V55.8Low69.8Low115 Ų115125.7 Ų125.770%0.69760%0.595SS**  trans-92.354.5167.9-159.40000107.5N294N294-V296 HydrophobicContact CB-CG2 3.81Å; N294-V296 PolarHBondContact O-N 3.47Å
297R52.8Low69.4Low237 Ų237125.7 Ų125.789%0.89460%0.595SS**  trans-99.376.9150.1-79.8-172.2174.3-176.10.8106.9E295 F299E295-R297 PolarHBondContact O-N 3.45Å; R297-F299 PolarHBondContact O-N 2.86Å
298Q57.6Low69.1Low177 Ų177130.2 Ų130.283%0.82762%0.618SS**  trans-58.7100.1154.5-77.6-172.2-8.400106.7S300Q298-S300 PolarHBondContact O-N 2.78Å
299F61.8Low68.9Low134 Ų134132.2 Ų132.259%0.58863%0.632SS**  trans-58.7104.3172.3168.9-104.8000107.5R297 P301 R304R297-F299 PolarHBondContact O-N 2.86Å; F299-P301 HydrophobicContact CD1-CG 4.32Å; F299-P301 HydrophobicContact CE1-CG 3.78Å; F299-P301 HydrophobicContact CZ-CG 4.25Å; F299-P301 WeakPolarHBondContact O-CD 3.04Å; F299-R304 VanDerWaalsContact CE2-CD 3.46Å
300S75.1Confident68.9Low40 Ų40134.5 Ų134.528%0.2864%0.637SS.*  trans-102.2108.9173.3172.80000107.9Q298 Y302 R303 R304Q298-S300 PolarHBondContact O-N 2.78Å; S300-Y302 PolarHBondContact O-N 3.37Å; S300-R303 PolarHBondContact O-N 2.82Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-R303 PolarHBondContact OG-N 3.37Å; S300-R304 PolarHBondContact O-N 3.25Å
301P76.8Confident70.3Confident85 Ų85130.1 Ų130.155%0.55262%0.622SS**Hα-helixtrans-52.1-39176.1-27.434.1000112.1F299 R304 F305F299-P301 HydrophobicContact CD1-CG 4.32Å; F299-P301 HydrophobicContact CE1-CG 3.78Å; F299-P301 HydrophobicContact CZ-CG 4.25Å; F299-P301 WeakPolarHBondContact O-CD 3.04Å; P301-R304 PolarHBondContact O-N 2.9Å; P301-F305 VanDerWaalsContact O-CB 3.27Å; P301-F305 WeakPolarHBondContact O-CB 3.46Å; P301-F305 PolarHBondContact O-N 3.45Å
302Y78.3Confident72Confident169 Ų169123.9 Ų123.966%0.66361%0.605SS**Hα-helixtrans-64.3-47.1178.7-178.9-105.5000113.1S300 R304 F305 K306S300-Y302 PolarHBondContact O-N 3.37Å; Y302-R304 VanDerWaalsContact C-N 3.34Å; Y302-R304 PolarHBondContact O-N 2.87Å; Y302-F305 PolarHBondContact O-N 3.07Å; Y302-K306 WeakPolarHBondContact O-CB 3.48Å; Y302-K306 PolarHBondContact O-N 3.49Å
303R74.7Confident74.1Confident189 Ų189123.4 Ų123.471%0.71360%0.599SS**Hα-helixtrans-65.4-39.7177.8-69-177.4179.8-178.60.2111.3S300 K306 V307S300-R303 PolarHBondContact O-N 2.82Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-R303 PolarHBondContact OG-N 3.37Å; R303-K306 PolarHBondContact O-N 3.04Å; R303-V307 VanDerWaalsContact O-CG2 3.32Å; R303-V307 WeakPolarHBondContact O-CG2 3.48Å; R303-V307 PolarHBondContact O-N 3.16Å
304R77.8Confident75.9Confident157 Ų157120.2 Ų120.259%0.59258%0.584SS**Hα-helixtrans-67.2-42.5179-145.5174.3-173.6165.1-2.1111.4F299 S300 P301 Y302 V307 I308F299-R304 VanDerWaalsContact CE2-CD 3.46Å; S300-R304 PolarHBondContact O-N 3.25Å; P301-R304 PolarHBondContact O-N 2.9Å; Y302-R304 VanDerWaalsContact C-N 3.34Å; Y302-R304 PolarHBondContact O-N 2.87Å; R304-V307 PolarHBondContact O-N 3.18Å; R304-I308 VanDerWaalsContact O-CG1 3.29Å; R304-I308 WeakPolarHBondContact O-CG1 3.33Å; R304-I308 PolarHBondContact O-N 2.86Å
305F85.3Confident78Confident136 Ų136118.1 Ų118.160%0.59658%0.576SS**Hα-helixtrans-61.3-45.6172.9-175.4-105.9000111.8P301 Y302 V307 I308 C309P301-F305 VanDerWaalsContact O-CB 3.27Å; P301-F305 WeakPolarHBondContact O-CB 3.46Å; P301-F305 PolarHBondContact O-N 3.45Å; Y302-F305 PolarHBondContact O-N 3.07Å; F305-V307 PolarHBondContact O-N 2.59Å; F305-I308 PolarHBondContact O-N 3.01Å; F305-C309 PolarHBondContact O-N 3.07Å; F305-C309 PolarHBondContact O-SG 3.18Å; F305-C309 VanDerWaalsContact O-SG 3.36Å
306K86.6Confident79.8Confident123 Ų123114.8 Ų114.854%0.53556%0.561SS.*Hα-helixtrans-59.4-43.6176.6-171.3177.7-178.1-179.70112.2Y302 R303 C309 M310Y302-K306 WeakPolarHBondContact O-CB 3.48Å; Y302-K306 PolarHBondContact O-N 3.49Å; R303-K306 PolarHBondContact O-N 3.04Å; K306-C309 PolarHBondContact O-N 2.98Å; K306-M310 VanDerWaalsContact O-CG 3.28Å; K306-M310 WeakPolarHBondContact O-CG 3.39Å; K306-M310 PolarHBondContact O-N 3.3Å
307V85.3Confident81.2Confident90 Ų90118.5 Ų118.555%0.54556%0.563SS.*Hα-helixtrans-63.2-45.2176171.80000110.8R303 R304 F305 C309 M310 T311R303-V307 VanDerWaalsContact O-CG2 3.32Å; R303-V307 WeakPolarHBondContact O-CG2 3.48Å; R303-V307 PolarHBondContact O-N 3.16Å; R304-V307 PolarHBondContact O-N 3.18Å; F305-V307 PolarHBondContact O-N 2.59Å; V307-C309 VanDerWaalsContact C-N 3.35Å; V307-C309 PolarHBondContact O-N 3.37Å; V307-M310 PolarHBondContact O-N 2.91Å; V307-M310 VanDerWaalsContact O-N 3.15Å; V307-T311 PolarHBondContact O-N 3.03Å; V307-T311 PolarHBondContact O-OG1 2.96Å
308I89.6Confident82.5Confident99 Ų99112.7 Ų112.751%0.50855%0.548SS..Hα-helixtrans-57.4-47.3176.3-69.4164.9000111R304 F305 M310 T311 V312R304-I308 VanDerWaalsContact O-CG1 3.29Å; R304-I308 WeakPolarHBondContact O-CG1 3.33Å; R304-I308 PolarHBondContact O-N 2.86Å; F305-I308 PolarHBondContact O-N 3.01Å; I308-M310 VanDerWaalsContact C-N 3.35Å; I308-M310 PolarHBondContact O-N 3.46Å; I308-T311 PolarHBondContact O-N 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.45Å; I308-V312 PolarHBondContact O-N 3.25Å
309C90Very high83.5Confident49 Ų49109.8 Ų109.833%0.33153%0.531SS..Hα-helixtrans-59.4-44.7175.9-66.60000112F305 K306 V307 V312 L313F305-C309 PolarHBondContact O-N 3.07Å; F305-C309 PolarHBondContact O-SG 3.18Å; F305-C309 VanDerWaalsContact O-SG 3.36Å; K306-C309 PolarHBondContact O-N 2.98Å; V307-C309 VanDerWaalsContact C-N 3.35Å; V307-C309 PolarHBondContact O-N 3.37Å; C309-V312 PolarHBondContact O-N 2.92Å; C309-L313 WeakPolarHBondContact O-CB 3.31Å; C309-L313 VanDerWaalsContact O-CG 3.29Å; C309-L313 WeakPolarHBondContact O-CG 3.47Å; C309-L313 PolarHBondContact O-N 3.04Å
310M87.8Confident84.2Confident115 Ų115106.7 Ų106.757%0.56753%0.525SS*.Hα-helixtrans-65-39178.3-71.1-61.4-6700112.2K306 V307 I308 L313 A314K306-M310 VanDerWaalsContact O-CG 3.28Å; K306-M310 WeakPolarHBondContact O-CG 3.39Å; K306-M310 PolarHBondContact O-N 3.3Å; V307-M310 PolarHBondContact O-N 2.91Å; V307-M310 VanDerWaalsContact O-N 3.15Å; I308-M310 VanDerWaalsContact C-N 3.35Å; I308-M310 PolarHBondContact O-N 3.46Å; M310-L313 PolarHBondContact O-N 3.32Å; M310-L313 HydrophobicContact SD-CD1 4.5Å; M310-A314 VanDerWaalsContact O-CB 3.27Å; M310-A314 WeakPolarHBondContact O-CB 3.47Å; M310-A314 PolarHBondContact O-N 2.96Å
311T91.5Very high83.9Confident78 Ų78111.4 Ų111.448%0.47954%0.542SS..Hα-helixtrans-62.8-47.9174.8-570000110.6V307 I308 L313 A314 T315V307-T311 PolarHBondContact O-N 3.03Å; V307-T311 PolarHBondContact O-OG1 2.96Å; I308-T311 PolarHBondContact O-N 3.24Å; T311-L313 PolarHBondContact O-N 2.91Å; T311-A314 PolarHBondContact O-N 3.34Å; T311-T315 WeakPolarHBondContact O-CB 3.29Å; T311-T315 PolarHBondContact O-N 3.23Å; T311-T315 PolarHBondContact O-OG1 3.2Å
312V92.8Very high83.3Confident79 Ų79116.3 Ų116.348%0.47955%0.551SS.*Hα-helixtrans-60.2-45177.2172.40000111.3I308 C309 A314 T315 M316I308-V312 WeakPolarHBondContact O-CG2 3.45Å; I308-V312 PolarHBondContact O-N 3.25Å; C309-V312 PolarHBondContact O-N 2.92Å; V312-A314 PolarHBondContact O-N 3.03Å; V312-T315 PolarHBondContact O-N 2.92Å; V312-M316 HydrophobicContact CG1-CG 4.46Å; V312-M316 WeakPolarHBondContact O-CB 3.16Å; V312-M316 VanDerWaalsContact O-CG 3.31Å; V312-M316 WeakPolarHBondContact O-CG 3.45Å; V312-M316 PolarHBondContact O-N 3.43Å
313L91.2Very high82.5Confident99 Ų99117.1 Ų117.152%0.51855%0.553SS.*Hα-helixtrans-63.3-41.3177.2-72.6171.1000112.2C309 M310 T311 M316 R317C309-L313 WeakPolarHBondContact O-CB 3.31Å; C309-L313 VanDerWaalsContact O-CG 3.29Å; C309-L313 WeakPolarHBondContact O-CG 3.47Å; C309-L313 PolarHBondContact O-N 3.04Å; M310-L313 PolarHBondContact O-N 3.32Å; M310-L313 HydrophobicContact SD-CD1 4.5Å; T311-L313 PolarHBondContact O-N 2.91Å; L313-M316 PolarHBondContact O-N 3.25Å; L313-R317 WeakPolarHBondContact O-CB 3.35Å; L313-R317 WeakPolarHBondContact O-CG 3.5Å; L313-R317 PolarHBondContact O-N 2.9Å
314A90.2Very high81.6Confident45 Ų45118.3 Ų118.337%0.37256%0.557SS.*Hα-helixtrans-65-45.6175.900000111.2M310 T311 V312 M316 R317 I318M310-A314 VanDerWaalsContact O-CB 3.27Å; M310-A314 WeakPolarHBondContact O-CB 3.47Å; M310-A314 PolarHBondContact O-N 2.96Å; T311-A314 PolarHBondContact O-N 3.34Å; V312-A314 PolarHBondContact O-N 3.03Å; A314-M316 VanDerWaalsContact C-N 3.34Å; A314-M316 PolarHBondContact O-N 2.85Å; A314-R317 PolarHBondContact O-N 3.35Å; A314-I318 WeakPolarHBondContact O-CB 3.33Å; A314-I318 VanDerWaalsContact O-CG1 3.25Å; A314-I318 WeakPolarHBondContact O-CG1 3.42Å; A314-I318 PolarHBondContact O-N 3.2Å
315T89.8Confident80.5Confident82 Ų82113.5 Ų113.550%0.50355%0.551SS.*Hα-helixtrans-60.8-42.6175.8-57.20000111.4T311 V312 I318 Y319T311-T315 WeakPolarHBondContact O-CB 3.29Å; T311-T315 PolarHBondContact O-N 3.23Å; T311-T315 PolarHBondContact O-OG1 3.2Å; V312-T315 PolarHBondContact O-N 2.92Å; T315-I318 PolarHBondContact O-N 3.26Å; T315-Y319 WeakPolarHBondContact O-CB 3.27Å; T315-Y319 PolarHBondContact O-N 3.06Å
316M85.9Confident79.1Confident112 Ų112116.3 Ų116.355%0.55256%0.563SS**Hα-helixtrans-66.4-40.1176.1-73.9-64.8177.800112.1V312 L313 A314 Y319 C320V312-M316 HydrophobicContact CG1-CG 4.46Å; V312-M316 WeakPolarHBondContact O-CB 3.16Å; V312-M316 VanDerWaalsContact O-CG 3.31Å; V312-M316 WeakPolarHBondContact O-CG 3.45Å; V312-M316 PolarHBondContact O-N 3.43Å; L313-M316 PolarHBondContact O-N 3.25Å; A314-M316 VanDerWaalsContact C-N 3.34Å; A314-M316 PolarHBondContact O-N 2.85Å; M316-Y319 PolarHBondContact O-N 3.4Å; M316-C320 VanDerWaalsContact O-CB 3.27Å; M316-C320 WeakPolarHBondContact O-CB 3.41Å; M316-C320 PolarHBondContact O-N 3.29Å; M316-C320 PolarHBondContact O-SG 2.86Å
317R84.1Confident77.9Confident194 Ų194115.6 Ų115.673%0.73257%0.571SS**Hα-helixtrans-63.3-44.4173.2-80.2-179.4-178.3169.71.1111.7L313 A314 C320 H321L313-R317 WeakPolarHBondContact O-CB 3.35Å; L313-R317 WeakPolarHBondContact O-CG 3.5Å; L313-R317 PolarHBondContact O-N 2.9Å; A314-R317 PolarHBondContact O-N 3.35Å; R317-C320 PolarHBondContact O-N 3.09Å; R317-H321 WeakPolarHBondContact O-CB 3.18Å; R317-H321 PolarHBondContact O-N 3.05Å
318I80.9Confident76.7Confident114 Ų114115.3 Ų115.359%0.58557%0.57SS**Hα-helixtrans-63.2-44.7175.9-68.9165.5000110.1A314 T315 H321 Y322A314-I318 WeakPolarHBondContact O-CB 3.33Å; A314-I318 VanDerWaalsContact O-CG1 3.25Å; A314-I318 WeakPolarHBondContact O-CG1 3.42Å; A314-I318 PolarHBondContact O-N 3.2Å; T315-I318 PolarHBondContact O-N 3.26Å; I318-H321 CarbonylContact O-C 3.47Å; I318-H321 PolarHBondContact O-N 3.5Å; I318-Y322 WeakPolarHBondContact O-CB 3.35Å; I318-Y322 PolarHBondContact O-N 3.38Å
319Y79.2Confident75.6Confident117 Ų117113.5 Ų113.546%0.45956%0.563SS.*Hα-helixtrans-61.8-47.2178-179.8-93.8000112T315 M316 Y322 R323T315-Y319 WeakPolarHBondContact O-CB 3.27Å; T315-Y319 PolarHBondContact O-N 3.06Å; M316-Y319 PolarHBondContact O-N 3.4Å; Y319-Y322 PolarHBondContact O-N 2.72Å; Y319-R323 PolarHBondContact O-N 3.27Å; Y319-R323 PolarHBondContact OH-NE 3.4Å; Y319-R323 PolarHBondContact OH-NH1 3.14Å; Y319-R323 PolarHBondContact OH-NH2 3.34Å
320C75.4Confident74.5Confident68 Ų68118.7 Ų118.746%0.45958%0.58SS.*Hα-helixtrans-65.6-37.5175.3-71.60000112M316 R317 R324M316-C320 VanDerWaalsContact O-CB 3.27Å; M316-C320 WeakPolarHBondContact O-CB 3.41Å; M316-C320 PolarHBondContact O-N 3.29Å; M316-C320 PolarHBondContact O-SG 2.86Å; R317-C320 PolarHBondContact O-N 3.09Å; C320-R324 VanDerWaalsContact O-CB 3.25Å; C320-R324 WeakPolarHBondContact O-CB 3.17Å; C320-R324 VanDerWaalsContact O-CG 3.27Å; C320-R324 WeakPolarHBondContact O-CG 3.2Å; C320-R324 PolarHBondContact O-N 3.1Å
321H68.7Low73.7Confident140 Ų140120.1 Ų120.165%0.64859%0.586SS**Hα-helixtrans-70-38.6175.6-173.2-78000111.8R317 I318 R324 A325R317-H321 WeakPolarHBondContact O-CB 3.18Å; R317-H321 PolarHBondContact O-N 3.05Å; I318-H321 CarbonylContact O-C 3.47Å; I318-H321 PolarHBondContact O-N 3.5Å; H321-R324 CarbonylContact O-C 3.53Å; H321-R324 PolarHBondContact O-N 2.91Å; H321-A325 PolarHBondContact O-N 2.57Å
322Y63.6Low72.5Confident187 Ų187119.3 Ų119.373%0.73358%0.58SS**Hα-helixtrans-68.4-39.1177.2-166.8-91.8000111.2I318 Y319 R324 A325I318-Y322 WeakPolarHBondContact O-CB 3.35Å; I318-Y322 PolarHBondContact O-N 3.38Å; Y319-Y322 PolarHBondContact O-N 2.72Å; Y322-R324 VanDerWaalsContact C-N 3.32Å; Y322-A325 WeakPolarHBondContact O-CB 3.11Å; Y322-A325 PolarHBondContact O-N 3.47Å
323R62.3Low71.5Confident187 Ų187119.1 Ų119.171%0.70658%0.576SS**Hα-helixtrans-76.2-16.4171.4-75.2-165.3168-165.5-1114.2Y319Y319-R323 PolarHBondContact O-N 3.27Å; Y319-R323 PolarHBondContact OH-NE 3.4Å; Y319-R323 PolarHBondContact OH-NH1 3.14Å; Y319-R323 PolarHBondContact OH-NH2 3.34Å
324R55.3Low70.7Confident213 Ų213122.2 Ų122.280%0.80459%0.585SS**THydrogen-bonded Turntrans-90.9-4.1167.3-78.4-179.7169.8-177.8-2.4113.2C320 H321 Y322 K326C320-R324 VanDerWaalsContact O-CB 3.25Å; C320-R324 WeakPolarHBondContact O-CB 3.17Å; C320-R324 VanDerWaalsContact O-CG 3.27Å; C320-R324 WeakPolarHBondContact O-CG 3.2Å; C320-R324 PolarHBondContact O-N 3.1Å; H321-R324 CarbonylContact O-C 3.53Å; H321-R324 PolarHBondContact O-N 2.91Å; Y322-R324 VanDerWaalsContact C-N 3.32Å; R324-K326 PolarHBondContact O-N 3.39Å; R324-K326 VanDerWaalsContact O-N 3.1Å
325A55.2Low70.1Confident57 Ų57124.7 Ų124.747%0.47160%0.6SS.*SBendtrans-62.3117.4172.200000107.3H321 Y322H321-A325 PolarHBondContact O-N 2.57Å; Y322-A325 WeakPolarHBondContact O-CB 3.11Å; Y322-A325 PolarHBondContact O-N 3.47Å
326K56.7Low69.4Low194 Ų194124.5 Ų124.584%0.84360%0.596SS**PPolyproline II helixtrans-53.3135.7-178.3-65.1177.4-179.7178.80108.6R324 V328R324-K326 PolarHBondContact O-N 3.39Å; R324-K326 VanDerWaalsContact O-N 3.1Å; K326-V328 PolarHBondContact O-N 2.97Å
327P60.2Low68.8Low109 Ų109121 Ų12171%0.70858%0.581SS**PPolyproline II helixtrans-54.4139.4174.922.4-31.1000108.9T329P327-T329 PolarHBondContact O-N 3.29Å
328V59.7Low68.2Low84 Ų84117.5 Ų117.551%0.50957%0.569SS.*  trans-58.7104.8172.9179.90000107K326 I333K326-V328 PolarHBondContact O-N 2.97Å; V328-I333 HydrophobicContact CG1-CD1 3.61Å; V328-I333 HydrophobicContact CG1-CG1 3.41Å; V328-I333 VanDerWaalsContact CG1-CG1 3.41Å
329T67.6Low67.8Low61 Ų61115 Ų11537%0.37457%0.565SS.*  trans-76.3151.2177.654.70000109.3P327 E331 V332 I333P327-T329 PolarHBondContact O-N 3.29Å; T329-E331 PolarHBondContact O-N 3.22Å; T329-V332 PolarHBondContact O-N 3.14Å; T329-V332 VanDerWaalsContact O-N 3.09Å; T329-I333 PolarHBondContact O-N 2.98Å
330K67.5Low67.5Low157 Ų157110.8 Ų110.868%0.68355%0.552SS**Hα-helixtrans-53.3-27.5176.1-173.8177.8-179.2178.20112.6K334K330-K334 WeakPolarHBondContact O-CG 3.47Å; K330-K334 PolarHBondContact O-N 2.92Å
331E70.9Confident67Low146 Ų146113.9 Ų113.968%0.68256%0.557SS**Hα-helixtrans-68-45.8178.3-68.9148.6-171.300112.3T329 I333 K334 S335T329-E331 PolarHBondContact O-N 3.22Å; E331-I333 VanDerWaalsContact C-N 3.32Å; E331-I333 PolarHBondContact O-N 2.94Å; E331-K334 PolarHBondContact O-N 3.25Å; E331-K334 VanDerWaalsContact O-N 3.11Å; E331-S335 PolarHBondContact O-N 3.02Å; E331-S335 PolarHBondContact O-OG 3.3Å
332V65.6Low67.1Low60 Ų60111.8 Ų111.836%0.36456%0.556SS.*Hα-helixtrans-63.9-38.5179.6174.80000111.3T329 K334 S335 D336 V340T329-V332 PolarHBondContact O-N 3.14Å; T329-V332 VanDerWaalsContact O-N 3.09Å; V332-K334 VanDerWaalsContact C-N 3.28Å; V332-K334 PolarHBondContact O-N 3.21Å; V332-S335 PolarHBondContact O-OG 3.22Å; V332-D336 CarbonylContact O-C 3.46Å; V332-D336 PolarHBondContact O-N 3.11Å; V332-D336 VanDerWaalsContact O-N 3.08Å; V332-V340 HydrophobicContact CG1-CG2 4.24Å
333I72.4Confident67.8Low76 Ų76104.8 Ų104.839%0.3953%0.531SS..Hα-helixtrans-65.6-33.2176.7-57.5179.8000111.4V328 T329 E331 I343V328-I333 HydrophobicContact CG1-CD1 3.61Å; V328-I333 HydrophobicContact CG1-CG1 3.41Å; V328-I333 VanDerWaalsContact CG1-CG1 3.41Å; T329-I333 PolarHBondContact O-N 2.98Å; E331-I333 VanDerWaalsContact C-N 3.32Å; E331-I333 PolarHBondContact O-N 2.94Å; I333-I343 HydrophobicContact CD1-CD1 4.06Å; I333-I343 HydrophobicContact CG1-CD1 3.82Å; I333-I343 HydrophobicContact CG2-CD1 4.28Å
334K73.4Confident68.6Low163 Ų16399.8 Ų99.871%0.70951%0.512SS*.Hα-helixtrans-78.6-35179.9-79.7-175.3173.1-167.20113.2K330 E331 V332K330-K334 WeakPolarHBondContact O-CG 3.47Å; K330-K334 PolarHBondContact O-N 2.92Å; E331-K334 PolarHBondContact O-N 3.25Å; E331-K334 VanDerWaalsContact O-N 3.11Å; V332-K334 VanDerWaalsContact C-N 3.28Å; V332-K334 PolarHBondContact O-N 3.21Å
335S77.8Confident69.3Low98 Ų9896.1 Ų96.169%0.68550%0.502SS*.Hα-helixtrans-86.2-41.9-175.562.60000113.3E331 V332E331-S335 PolarHBondContact O-N 3.02Å; E331-S335 PolarHBondContact O-OG 3.3Å; V332-S335 PolarHBondContact O-OG 3.22Å
336D75.7Confident70.3Confident77 Ų7799.2 Ų99.241%0.41251%0.51SS..  trans-150.583.1-178-174.9-2.4000111.2V332 Y338 A339V332-D336 CarbonylContact O-C 3.46Å; V332-D336 PolarHBondContact O-N 3.11Å; V332-D336 VanDerWaalsContact O-N 3.08Å; D336-Y338 PolarHBondContact O-N 3.24Å; D336-Y338 PolarHBondContact OD1-N 3.09Å; D336-Y338 VanDerWaalsContact OD1-N 3.16Å; D336-A339 HydrophobicContact CB-CB 4.36Å; D336-A339 PolarHBondContact O-N 2.93Å; D336-A339 PolarHBondContact OD1-N 3.39Å; D336-A339 VanDerWaalsContact OD1-N 3.09Å; D336-A339 WeakPolarHBondContact OD2-CB 3.36Å
337P72.8Confident71.5Confident39 Ų3992.4 Ų92.425%0.25348%0.482SS..THydrogen-bonded Turntrans-68.9-19.9179.326.3-32.6000113.2I343 I347P337-I343 HydrophobicContact CB-CG2 3.97Å; P337-I343 WeakPolarHBondContact O-CG2 3.31Å; P337-I347 HydrophobicContact CB-CD1 4.08Å
338Y72.4Confident72.1Confident121 Ų12191 Ų9148%0.47547%0.468SS..THydrogen-bonded Turntrans-81.7-19.7-179-81.6-89.3000113D336 V340 R344 I347D336-Y338 PolarHBondContact O-N 3.24Å; D336-Y338 PolarHBondContact OD1-N 3.09Å; D336-Y338 VanDerWaalsContact OD1-N 3.16Å; Y338-V340 PolarHBondContact O-N 2.99Å; Y338-R344 HydrophobicContact CD1-CB 4.35Å; Y338-R344 HydrophobicContact CD1-CG 3.78Å; Y338-R344 HydrophobicContact CE1-CG 4.26Å; Y338-R344 PolarHBondContact O-NE 2.85Å; Y338-R344 PolarHBondContact O-NH2 3.47Å; Y338-I347 HydrophobicContact CE1-CG2 4.32Å; Y338-I347 HydrophobicContact CE2-CD1 4.32Å; Y338-I347 HydrophobicContact CE2-CG2 4.48Å; Y338-I347 VanDerWaalsContact OH-CG2 3.26Å; Y338-I347 WeakPolarHBondContact OH-CG2 3.27Å
339A70.7Confident72.8Confident61 Ų6189.9 Ų89.950%0.50447%0.468SS..SBendtrans-60.5-30171.900000112.9D336 K341 R344D336-A339 HydrophobicContact CB-CB 4.36Å; D336-A339 PolarHBondContact O-N 2.93Å; D336-A339 PolarHBondContact OD1-N 3.39Å; D336-A339 VanDerWaalsContact OD1-N 3.09Å; D336-A339 WeakPolarHBondContact OD2-CB 3.36Å; A339-K341 PolarHBondContact O-N 3.4Å; A339-R344 PolarHBondContact O-NH2 2.98Å
340V74.4Confident73.2Confident28 Ų2890.1 Ų90.117%0.1747%0.472CS..SBendtrans-92.3106-175.6-179.20000110.6V332 Y338 P342 I343 R344V332-V340 HydrophobicContact CG1-CG2 4.24Å; Y338-V340 PolarHBondContact O-N 2.99Å; V340-P342 HydrophobicContact CG1-CG 4.49Å; V340-I343 HydrophobicContact CB-CB 4.16Å; V340-I343 HydrophobicContact CB-CD1 3.99Å; V340-I343 HydrophobicContact CB-CG1 4.15Å; V340-I343 HydrophobicContact CG1-CB 4.27Å; V340-I343 HydrophobicContact CG1-CD1 3.89Å; V340-I343 HydrophobicContact CG1-CG1 3.84Å; V340-I343 HydrophobicContact CG2-CD1 4.45Å; V340-I343 PolarHBondContact O-N 3.48Å; V340-R344 PolarHBondContact O-N 3.22Å
341K64.4Low73.5Confident134 Ų13484.5 Ų84.558%0.58346%0.455SS*.Hα-helixtrans-49.8-42-174.4-175.4176.8-173.6174.90114.8A339 K345A339-K341 PolarHBondContact O-N 3.4Å; K341-K345 WeakPolarHBondContact O-CG 3.22Å; K341-K345 PolarHBondContact O-N 3Å
342P71.6Confident73.3Confident95 Ų9584 Ų8462%0.61745%0.45SS*.Hα-helixtrans-64.1-40.6173.7-24.433.4000114.5V340 L346V340-P342 HydrophobicContact CG1-CG 4.49Å; P342-L346 PolarHBondContact O-N 3.29Å
343I76.6Confident73.5Confident40 Ų4090 Ų9021%0.20547%0.472CS..Hα-helixtrans-69.5-44.2-179.6-64.6179000109.9I333 P337 V340 K345 L346 I347I333-I343 HydrophobicContact CD1-CD1 4.06Å; I333-I343 HydrophobicContact CG1-CD1 3.82Å; I333-I343 HydrophobicContact CG2-CD1 4.28Å; P337-I343 HydrophobicContact CB-CG2 3.97Å; P337-I343 WeakPolarHBondContact O-CG2 3.31Å; V340-I343 HydrophobicContact CB-CB 4.16Å; V340-I343 HydrophobicContact CB-CD1 3.99Å; V340-I343 HydrophobicContact CB-CG1 4.15Å; V340-I343 HydrophobicContact CG1-CB 4.27Å; V340-I343 HydrophobicContact CG1-CD1 3.89Å; V340-I343 HydrophobicContact CG1-CG1 3.84Å; V340-I343 HydrophobicContact CG2-CD1 4.45Å; V340-I343 PolarHBondContact O-N 3.48Å; I343-K345 PolarHBondContact O-N 2.82Å; I343-L346 WeakPolarHBondContact O-CB 3.35Å; I343-L346 PolarHBondContact O-N 2.87Å; I343-L346 VanDerWaalsContact O-N 3.09Å; I343-I347 HydrophobicContact CG2-CD1 3.75Å; I343-I347 HydrophobicContact CG2-CG1 4.32Å; I343-I347 WeakPolarHBondContact O-CG1 3.37Å; I343-I347 PolarHBondContact O-N 3.48Å
344R79.6Confident73.4Confident82 Ų8291.1 Ų91.131%0.30948%0.477SS..Hα-helixtrans-52.5-51.7172.9-179-179-23.9114.66.6112.5Y338 A339 V340 L346 I347 D348Y338-R344 HydrophobicContact CD1-CB 4.35Å; Y338-R344 HydrophobicContact CD1-CG 3.78Å; Y338-R344 HydrophobicContact CE1-CG 4.26Å; Y338-R344 PolarHBondContact O-NE 2.85Å; Y338-R344 PolarHBondContact O-NH2 3.47Å; A339-R344 PolarHBondContact O-NH2 2.98Å; V340-R344 PolarHBondContact O-N 3.22Å; R344-L346 PolarHBondContact O-N 2.94Å; R344-I347 PolarHBondContact O-N 2.96Å; R344-I347 VanDerWaalsContact O-N 3.11Å; R344-D348 VanDerWaalsContact O-CG 3.23Å; R344-D348 PolarHBondContact O-N 3.39Å
345K69.3Low73.2Confident137 Ų13790.6 Ų90.660%0.59647%0.472SS*.Hα-helixtrans-58.6-35.2178.2-77.3-171.5171.2-163.20113K341 I343 A349K341-K345 WeakPolarHBondContact O-CG 3.22Å; K341-K345 PolarHBondContact O-N 3Å; I343-K345 PolarHBondContact O-N 2.82Å; K345-A349 VanDerWaalsContact O-CB 3.29Å; K345-A349 WeakPolarHBondContact O-CB 3.25Å; K345-A349 PolarHBondContact O-N 2.8Å; K345-A349 VanDerWaalsContact O-N 3.09Å
346L77.8Confident72.4Confident122 Ų12287 Ų8764%0.63945%0.451SS*.Hα-helixtrans-69.5-44.4176.7-162.395.6000111.2P342 I343 R344 A349 C350P342-L346 PolarHBondContact O-N 3.29Å; I343-L346 WeakPolarHBondContact O-CB 3.35Å; I343-L346 PolarHBondContact O-N 2.87Å; I343-L346 VanDerWaalsContact O-N 3.09Å; R344-L346 PolarHBondContact O-N 2.94Å; L346-A349 PolarHBondContact O-N 3.18Å; L346-C350 PolarHBondContact O-N 2.91Å; L346-C350 PolarHBondContact O-SG 3.3Å; L346-C350 VanDerWaalsContact O-SG 3.39Å
347I80.4Confident71.8Confident50 Ų5089.5 Ų89.526%0.25646%0.46SS..Hα-helixtrans-61.2-48.5177.3-65.6166.5000110.1P337 Y338 I343 R344 A349 C350 A351P337-I347 HydrophobicContact CB-CD1 4.08Å; Y338-I347 HydrophobicContact CE1-CG2 4.32Å; Y338-I347 HydrophobicContact CE2-CD1 4.32Å; Y338-I347 HydrophobicContact CE2-CG2 4.48Å; Y338-I347 VanDerWaalsContact OH-CG2 3.26Å; Y338-I347 WeakPolarHBondContact OH-CG2 3.27Å; I343-I347 HydrophobicContact CG2-CD1 3.75Å; I343-I347 HydrophobicContact CG2-CG1 4.32Å; I343-I347 WeakPolarHBondContact O-CG1 3.37Å; I343-I347 PolarHBondContact O-N 3.48Å; R344-I347 PolarHBondContact O-N 2.96Å; R344-I347 VanDerWaalsContact O-N 3.11Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-A349 PolarHBondContact O-N 2.88Å; I347-C350 PolarHBondContact O-N 2.85Å; I347-A351 WeakPolarHBondContact O-CB 3.37Å; I347-A351 PolarHBondContact O-N 2.74Å
348D74.3Confident71Confident79 Ų7997.2 Ų97.242%0.42248%0.484SS..Hα-helixtrans-60.8-42.1178.9-62.9-20.8000111.5R344 A351 F352R344-D348 VanDerWaalsContact O-CG 3.23Å; R344-D348 PolarHBondContact O-N 3.39Å; D348-A351 PolarHBondContact O-N 2.82Å; D348-F352 WeakPolarHBondContact O-CB 3.49Å; D348-F352 PolarHBondContact O-N 3.41Å
349A73.1Confident70.2Confident61 Ų6195.3 Ų95.350%0.50449%0.485SS..Hα-helixtrans-64.7-40.6177.200000112.5K345 L346 I347 K353K345-A349 VanDerWaalsContact O-CB 3.29Å; K345-A349 WeakPolarHBondContact O-CB 3.25Å; K345-A349 PolarHBondContact O-N 2.8Å; K345-A349 VanDerWaalsContact O-N 3.09Å; L346-A349 PolarHBondContact O-N 3.18Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-A349 PolarHBondContact O-N 2.88Å; A349-K353 WeakPolarHBondContact O-CB 3.34Å; A349-K353 PolarHBondContact O-N 3.41Å
350C76.6Confident69.4Low67 Ų67100.6 Ų100.645%0.45350%0.496SS..Hα-helixtrans-67.5-42.9174.9-73.90000111.8L346 I347 F352 K353 I354L346-C350 PolarHBondContact O-N 2.91Å; L346-C350 PolarHBondContact O-SG 3.3Å; L346-C350 VanDerWaalsContact O-SG 3.39Å; I347-C350 PolarHBondContact O-N 2.85Å; C350-F352 VanDerWaalsContact C-N 3.34Å; C350-F352 PolarHBondContact O-N 3Å; C350-K353 PolarHBondContact O-N 3.1Å; C350-I354 WeakPolarHBondContact O-CG1 3.37Å; C350-I354 PolarHBondContact O-N 3.1Å
351A72.9Confident68.3Low39 Ų39109.8 Ų109.832%0.32253%0.534SS..Hα-helixtrans-60.5-44.5176.600000111.1I347 D348 K353 I354 Y355I347-A351 WeakPolarHBondContact O-CB 3.37Å; I347-A351 PolarHBondContact O-N 2.74Å; D348-A351 PolarHBondContact O-N 2.82Å; A351-K353 VanDerWaalsContact C-N 3.33Å; A351-K353 PolarHBondContact O-N 3.4Å; A351-I354 PolarHBondContact O-N 3.29Å; A351-Y355 HydrophobicContact CB-CD2 4.49Å; A351-Y355 WeakPolarHBondContact O-CB 3.4Å; A351-Y355 VanDerWaalsContact O-CD2 3.31Å; A351-Y355 WeakPolarHBondContact O-CD2 3.31Å; A351-Y355 PolarHBondContact O-N 2.9Å
352F66.6Low67.9Low134 Ų134105.9 Ų105.959%0.58853%0.532SS*.Hα-helixtrans-63.4-38.4175.7-167.4-94.4000112.3D348 C350 I354 G356D348-F352 WeakPolarHBondContact O-CB 3.49Å; D348-F352 PolarHBondContact O-N 3.41Å; C350-F352 VanDerWaalsContact C-N 3.34Å; C350-F352 PolarHBondContact O-N 3Å; F352-I354 VanDerWaalsContact C-N 3.34Å; F352-I354 PolarHBondContact O-N 3.33Å; F352-G356 WeakPolarHBondContact O-CA 3.49Å; F352-G356 PolarHBondContact O-N 3.17Å
353K71.4Confident66.9Low187 Ų187111.3 Ų111.381%0.81355%0.549SS*.Hα-helixtrans-67.2-33.4177.8-163.4174.9-176.2179.80112.9A349 C350 A351A349-K353 WeakPolarHBondContact O-CB 3.34Å; A349-K353 PolarHBondContact O-N 3.41Å; C350-K353 PolarHBondContact O-N 3.1Å; A351-K353 VanDerWaalsContact C-N 3.33Å; A351-K353 PolarHBondContact O-N 3.4Å
354I69.9Low65.5Low99 Ų99114.1 Ų114.151%0.50857%0.568SS.*Hα-helixtrans-82.9-49.2179.8-66169.4000110.8C350 A351 F352 H357C350-I354 WeakPolarHBondContact O-CG1 3.37Å; C350-I354 PolarHBondContact O-N 3.1Å; A351-I354 PolarHBondContact O-N 3.29Å; F352-I354 VanDerWaalsContact C-N 3.34Å; F352-I354 PolarHBondContact O-N 3.33Å; I354-H357 PolarHBondContact O-CE1 3.09Å; I354-H357 PolarHBondContact O-ND1 3.16Å
355Y68.7Low64.3Low153 Ų153116.8 Ų116.860%0.658%0.584SS**Hα-helixtrans-99-4.2-170.9-58.9-71.4000114.3A351 H357 W358A351-Y355 HydrophobicContact CB-CD2 4.49Å; A351-Y355 WeakPolarHBondContact O-CB 3.4Å; A351-Y355 VanDerWaalsContact O-CD2 3.31Å; A351-Y355 WeakPolarHBondContact O-CD2 3.31Å; A351-Y355 PolarHBondContact O-N 2.9Å; Y355-H357 PolarHBondContact O-N 3.09Å; Y355-W358 WeakPolarHBondContact O-CB 3.26Å; Y355-W358 PolarHBondContact O-N 3.03Å
356G61.6Low63.4Low23 Ų23115.2 Ų115.224%0.23758%0.582CS.*G310 helixtrans-59.3-21.9-177.700000114.8F352 W358 V359F352-G356 WeakPolarHBondContact O-CA 3.49Å; F352-G356 PolarHBondContact O-N 3.17Å; G356-W358 VanDerWaalsContact C-N 3.31Å; G356-W358 PolarHBondContact O-N 2.99Å; G356-V359 WeakPolarHBondContact O-CB 3.46Å; G356-V359 PolarHBondContact O-N 2.89Å
357H63.1Low61.9Low129 Ų129119.7 Ų119.760%0.59759%0.59SS**G310 helixtrans-75.5-14.6176.468.3-80000114.3I354 Y355I354-H357 PolarHBondContact O-CE1 3.09Å; I354-H357 PolarHBondContact O-ND1 3.16Å; Y355-H357 PolarHBondContact O-N 3.09Å
358W54.6Low60.7Low201 Ų201120.6 Ų120.676%0.76161%0.605SS**G310 helixtrans-80-10.2171.5-76.454.2000112.2Y355 G356 K360Y355-W358 WeakPolarHBondContact O-CB 3.26Å; Y355-W358 PolarHBondContact O-N 3.03Å; G356-W358 VanDerWaalsContact C-N 3.31Å; G356-W358 PolarHBondContact O-N 2.99Å; W358-K360 PolarHBondContact O-N 3.04Å; W358-K360 VanDerWaalsContact O-N 3.14Å
359V56.5Low59.8Low81 Ų81119.8 Ų119.849%0.49161%0.609SS.*  trans-84.778.4173.9-169.80000108.4G356 L370G356-V359 WeakPolarHBondContact O-CB 3.46Å; G356-V359 PolarHBondContact O-N 2.89Å; V359-L370 HydrophobicContact CG1-CD1 4.14Å; V359-L370 HydrophobicContact CG2-CD1 3.83Å; V359-L370 HydrophobicContact CG2-CG 4.5Å
360K54.3Low58.8Low172 Ų172121.1 Ų121.175%0.74861%0.608SS**  trans-85.6134.9175.4-75.2-171.8178.5-179.90111.5W358 G362W358-K360 PolarHBondContact O-N 3.04Å; W358-K360 VanDerWaalsContact O-N 3.14Å; K360-G362 PolarHBondContact O-N 3.46Å
361K51.3Low57.7Low221 Ų221125.5 Ų125.596%0.96162%0.619SS**  trans-66.1117.8172.5-73.4-179.3174.1-177.60110.4
362G56.5Low56.7Low52 Ų52131.1 Ų131.154%0.53664%0.639SS.*SBendtrans-170.8163.7174.300000112.2K360 T364K360-G362 PolarHBondContact O-N 3.46Å; G362-T364 PolarHBondContact O-N 3.11Å; G362-T364 VanDerWaalsContact O-N 3.07Å
363Q50.2Low55.8Low209 Ų209132.1 Ų132.198%0.97765%0.65SS**THydrogen-bonded Turntrans-66.2-6.4-172.6-76-166.9-21.200115.8
364T47.8Very low54.5Low98 Ų98127.9 Ų127.960%0.60164%0.644SS**THydrogen-bonded Turntrans-113.3-1.2-171.447.60000115.4G362G362-T364 PolarHBondContact O-N 3.11Å; G362-T364 VanDerWaalsContact O-N 3.07Å
365Q52.5Low53Low139 Ų139128.7 Ų128.765%0.6566%0.656SS**  trans-135.7107.4174.9-76.6-175.6-15.900111.2
366N50.6Low51.6Low104 Ų104130.5 Ų130.556%0.55667%0.667SS**  trans-80.5153177-125.5-13.5000110.3W231 A368 A369W231-N366 WeakPolarHBondContact CZ2-ND2 3.45Å; N366-A368 PolarHBondContact O-N 3.31Å; N366-A369 PolarHBondContact O-N 3.41Å; N366-A369 VanDerWaalsContact O-N 3.1Å
367R47.5Very low50.5Low216 Ų216136.2 Ų136.282%0.81569%0.69SS**G310 helixtrans-48.8-25-177.3-172.7178.9174.4127-3.1115.1A369R367-A369 VanDerWaalsContact C-N 3.28Å; R367-A369 PolarHBondContact O-N 3.42Å
368A53.9Low49.5Very low69 Ų69135.6 Ų135.657%0.5770%0.695SS**G310 helixtrans-65.1-21.6179.500000114.8N366 L370 F371N366-A368 PolarHBondContact O-N 3.31Å; A368-L370 PolarHBondContact O-N 3.47Å; A368-L370 VanDerWaalsContact O-N 3.1Å; A368-F371 PolarHBondContact O-N 3.08Å; A368-F371 VanDerWaalsContact O-N 3.17Å
369A57.2Low48.7Very low61 Ų61132 Ų13250%0.50469%0.69SS.*G310 helixtrans-64-18.1-176.900000114.4N366 R367N366-A369 PolarHBondContact O-N 3.41Å; N366-A369 VanDerWaalsContact O-N 3.1Å; R367-A369 VanDerWaalsContact C-N 3.28Å; R367-A369 PolarHBondContact O-N 3.42Å
370L51.1Low47.9Very low90 Ų90135.2 Ų135.247%0.47170%0.704SS.*G310 helixtrans-78-17.2178.6-101.1140.5000114.2V359 A368V359-L370 HydrophobicContact CG1-CD1 4.14Å; V359-L370 HydrophobicContact CG2-CD1 3.83Å; V359-L370 HydrophobicContact CG2-CG 4.5Å; A368-L370 PolarHBondContact O-N 3.47Å; A368-L370 VanDerWaalsContact O-N 3.1Å
371F52.9Low47.4Very low158 Ų158130.2 Ų130.269%0.69369%0.691SS**SBendtrans-116.45.8-171.9-57.7-78.2000112.8A368 N373A368-F371 PolarHBondContact O-N 3.08Å; A368-F371 VanDerWaalsContact O-N 3.17Å; F371-N373 VanDerWaalsContact C-N 3.28Å; F371-N373 PolarHBondContact O-N 3.46Å
372E52.3Low47Very low157 Ų157127 Ų12773%0.73468%0.683SS**  trans-6983.6167.5-76.5-172.4171.600109.9S374E372-S374 PolarHBondContact O-N 2.8Å
373N48.3Very low46.3Very low155 Ų155127.4 Ų127.483%0.82968%0.682SS**  trans-80.446.1171.1-79.6-37.3000112.3F371F371-N373 VanDerWaalsContact C-N 3.28Å; F371-N373 PolarHBondContact O-N 3.46Å
374S43.9Very low45.9Very low98 Ų98120.9 Ų120.969%0.68566%0.664SS**  trans-119.694.4168.2-70.40000107.9E372 K376E372-S374 PolarHBondContact O-N 2.8Å; S374-K376 PolarHBondContact O-N 2.96Å
375P38.3Very low45.8Very low117 Ų117123.4 Ų123.476%0.7667%0.668SS**  trans-59.2114.5171.324.2-31.2000107.9I377P375-I377 VanDerWaalsContact C-N 3.32Å; P375-I377 PolarHBondContact O-N 3.32Å
376K40.2Very low45.4Very low190 Ų190120.4 Ų120.483%0.82667%0.667SS**  trans-64.7102.8160.4-74.6-176.5-179.4175.80105.9S374 V378S374-K376 PolarHBondContact O-N 2.96Å; K376-V378 PolarHBondContact O-N 3.04Å
377I37.7Very low45.1Very low143 Ų143122.5 Ų122.573%0.73368%0.679SS**  trans-62.589.3160.3-65.6171.9000105.2P375 L379P375-I377 VanDerWaalsContact C-N 3.32Å; P375-I377 PolarHBondContact O-N 3.32Å; I377-L379 VanDerWaalsContact C-N 3.25Å; I377-L379 HydrophobicContact CG2-CG 4.22Å; I377-L379 PolarHBondContact O-N 3.11Å; I377-L379 VanDerWaalsContact O-N 3.11Å
378V41.6Very low45.1Very low116 Ų116120.7 Ų120.770%0.70368%0.68SS**  trans-71.398.7156.81790000103.6K376 L380K376-V378 PolarHBondContact O-N 3.04Å; V378-L380 VanDerWaalsContact C-N 3.32Å; V378-L380 PolarHBondContact O-N 2.87Å
379L38.1Very low44.6Very low125 Ų125126.2 Ų126.265%0.65469%0.694SS**  trans-52.9101.7166.8-100.5146.3000107.3I377 S381I377-L379 VanDerWaalsContact C-N 3.25Å; I377-L379 HydrophobicContact CG2-CG 4.22Å; I377-L379 PolarHBondContact O-N 3.11Å; I377-L379 VanDerWaalsContact O-N 3.11Å; L379-S381 PolarHBondContact O-N 2.87Å
380L40.5Very low44.2Very low149 Ų149126.7 Ų126.778%0.7870%0.704SS**  trans-69.950.8163.2-92.6157.7000109.4V378 A383V378-L380 VanDerWaalsContact C-N 3.32Å; V378-L380 PolarHBondContact O-N 2.87Å; L380-A383 HydrophobicContact CD2-CB 4.31Å
381S42.4Very low43.9Very low67 Ų67130.8 Ų130.847%0.46972%0.721SS.*  trans-99.34.4171.966.70000112.6L379L379-S381 PolarHBondContact O-N 2.87Å
382L42.6Very low43.2Very low153 Ų153132.9 Ų132.980%0.80173%0.732SS**SBendtrans-106.75.4177.7-79.1161.2000113.9
383A42Very low42.8Very low62 Ų62128.6 Ų128.651%0.51273%0.731SS.*SBendtrans-110.3-4174.800000113.5L380L380-A383 HydrophobicContact CD2-CB 4.31Å
384A42.5Very low42.4Very low71 Ų71137.2 Ų137.259%0.58775%0.752SS**SBendtrans-98.6-13.7177.300000113.6
385E44.9Very low42.3Very low151 Ų151139.2 Ų139.271%0.70676%0.755SS**SBendtrans-98.8-2.4177.9-71.8-176.4167.700113.7
386A45.3Very low42.5Very low76 Ų76140.3 Ų140.363%0.62876%0.755SS**SBendtrans-94.3-14176.900000114
387D45Very low42.7Very low148 Ų148137.6 Ų137.679%0.79175%0.751SS**SBendtrans-100.5-6.1-178.8-86.3-14.4000114.2
388E45.5Very low42.9Very low179 Ų179137.2 Ų137.284%0.83675%0.752SS**SBendtrans-96.3-3.2177.3-85.4-169.9167.100115
389Q44.9Very low43Very low185 Ų185138.6 Ų138.686%0.86476%0.755SS**SBendtrans-100.410.2178.4-70.5-177.80.700114.6
390G47.8Very low43.4Very low70 Ų70139.5 Ų139.572%0.72276%0.762SS**SBendtrans-107.7-3.9-17500000117.5
391Q46.4Very low43.6Very low176 Ų176138.8 Ų138.882%0.82276%0.76SS**SBendtrans-13877.9-178.5-81-174.8-3.900112.4
392H36.8Very low43.7Very low202 Ų202144.3 Ų144.394%0.93578%0.783SS**  trans-160.589.6142.6-84.4-42.7000108.6
393G43.8Very low43.7Very low68 Ų68143.6 Ų143.670%0.70178%0.781SS**  trans-91.2123.8157.700000109.1
394W40.1Very low43.9Very low335 Ų335151 Ų151100%1.26981%0.806SS**  trans-1450133.4-84.890.6000107.6

Retrieved 394 of 394 residues in 147.7 ms (Link to these results)

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