A0A077ZA19_TRITR Loading...

Ubiquitin conjugating enzyme E2 K

AlphaFold DB , UniProt , Accession A0A077ZA19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M35Very low42.2Very low211 Ų211116.1 Ų116.1100%1.03956%0.557SS**  0980-134-173.2-8200107.6R3M1-R3 PolarHBondContact O-N 3.21Å
2Q32.8Very low45Very low189 Ų189107.4 Ų107.488%0.88352%0.521SS*.  trans-73.1112.1178.9-82.4167.5-21.900107.8I4Q2-I4 PolarHBondContact O-N 3.48Å
3R32.5Very low48.1Very low208 Ų20899.4 Ų99.479%0.78548%0.482SS*.  trans-61.3105.5171.8-75.8177.7156.2147.1-3.9107.7M1 C5M1-R3 PolarHBondContact O-N 3.21Å; R3-C5 PolarHBondContact O-N 3.15Å
4I34.4Very low50.9Low122 Ų12296.4 Ų96.463%0.62647%0.465SS*.  trans-70.288.5172.6-58.2173000106.4Q2 F6Q2-I4 PolarHBondContact O-N 3.48Å; I4-F6 HydrophobicContact CG2-CD2 4.22Å; I4-F6 HydrophobicContact CG2-CE1 4.13Å; I4-F6 HydrophobicContact CG2-CE2 3.76Å; I4-F6 HydrophobicContact CG2-CZ 3.72Å; I4-F6 PolarHBondContact O-N 2.79Å
5C37.3Very low53.4Low40 Ų4091.5 Ų91.527%0.2744%0.444SS..  trans-82.7104174.3-173.70000106.7R3 Q7 K14R3-C5 PolarHBondContact O-N 3.15Å; C5-Q7 PolarHBondContact O-N 3.09Å; C5-K14 WeakPolarHBondContact SG-CD 3.4Å; C5-K14 WeakPolarHBondContact SG-CE 3.46Å; C5-K14 VanDerWaalsContact SG-CG 3.52Å
6F37.5Very low55.5Low144 Ų14487.3 Ų87.363%0.63243%0.425SS*.EExtended strand (participates in β ladder)trans-71.686.7170.1-65.5-82.4000107.7I4 L8I4-F6 HydrophobicContact CG2-CD2 4.22Å; I4-F6 HydrophobicContact CG2-CE1 4.13Å; I4-F6 HydrophobicContact CG2-CE2 3.76Å; I4-F6 HydrophobicContact CG2-CZ 3.72Å; I4-F6 PolarHBondContact O-N 2.79Å; F6-L8 PolarHBondContact O-N 2.8Å
7Q37Very low57.3Low114 Ų11485.5 Ų85.553%0.53342%0.42SS..EExtended strand (participates in β ladder)trans-79.599.7177.5-127.6160.1-78.800108C5 E9C5-Q7 PolarHBondContact O-N 3.09Å; Q7-E9 HydrophobicContact CB-CG 4.04Å; Q7-E9 HydrophobicContact CG-CG 4.06Å; Q7-E9 PolarHBondContact NE2-OE1 2.79Å; Q7-E9 PolarHBondContact O-N 3.01Å; Q7-E9 VanDerWaalsContact O-N 3.13Å
8L48.9Very low58.5Low66 Ų6685.9 Ų85.935%0.34642%0.421SS..EExtended strand (participates in β ladder)trans-86.670.7170.5-64.4165.5000107.4F6 A10 T11 G12 I13 R93F6-L8 PolarHBondContact O-N 2.8Å; L8-A10 PolarHBondContact O-N 3Å; L8-T11 PolarHBondContact O-N 3.27Å; L8-G12 PolarHBondContact O-N 3.5Å; L8-G12 VanDerWaalsContact O-N 3.15Å; L8-I13 HydrophobicContact CD1-CB 4.47Å; L8-I13 HydrophobicContact CD1-CG2 4.49Å; L8-I13 PolarHBondContact N-O 3.02Å; L8-R93 HydrophobicContact CD1-CB 4.23Å; L8-R93 VanDerWaalsContact CD1-CD 3.49Å; L8-R93 HydrophobicContact CD1-CG 3.66Å
9E46.1Very low59.5Low139 Ų13984 Ų8465%0.6542%0.415SS*.THydrogen-bonded Turntrans-54.6-33.2-169.8-62.4-169.5153.600112.6Q7 T11 G12Q7-E9 HydrophobicContact CB-CG 4.04Å; Q7-E9 HydrophobicContact CG-CG 4.06Å; Q7-E9 PolarHBondContact NE2-OE1 2.79Å; Q7-E9 PolarHBondContact O-N 3.01Å; Q7-E9 VanDerWaalsContact O-N 3.13Å; E9-T11 VanDerWaalsContact C-N 3.26Å; E9-T11 PolarHBondContact O-N 3.22Å; E9-G12 PolarHBondContact O-N 2.86Å
10A57.3Low60.3Low43 Ų4386.8 Ų86.836%0.35543%0.431SS..THydrogen-bonded Turntrans-66.4-20.3-179.700000114.8L8 Y167 K170L8-A10 PolarHBondContact O-N 3Å; A10-Y167 WeakPolarHBondContact O-CD2 3.32Å; A10-K170 HydrophobicContact CB-CD 4.32Å
11T65.9Low61.1Low1 Ų185.8 Ų85.81%0.00643%0.43CS..THydrogen-bonded Turntrans-121.40179.358.80000113.1L8 E9 I13 L97 Q100 Y167 K170 I174L8-T11 PolarHBondContact O-N 3.27Å; E9-T11 VanDerWaalsContact C-N 3.26Å; E9-T11 PolarHBondContact O-N 3.22Å; T11-I13 PolarHBondContact O-N 3.05Å; T11-L97 HydrophobicContact CG2-CD2 4.09Å; T11-Q100 PolarHBondContact O-NE2 3.47Å; T11-Q100 PolarHBondContact O-OE1 3.22Å; T11-Y167 WeakPolarHBondContact O-CE2 3.3Å; T11-K170 HydrophobicContact CG2-CD 4.14Å; T11-I174 HydrophobicContact CG2-CD1 4.39Å
12G75.4Confident63.2Low12 Ų1284.7 Ų84.712%0.12442%0.416CS..THydrogen-bonded Turntrans65.324.1178.500000113.1L8 E9 R30L8-G12 PolarHBondContact O-N 3.5Å; L8-G12 VanDerWaalsContact O-N 3.15Å; E9-G12 PolarHBondContact O-N 2.86Å; G12-R30 PolarHBondContact O-N 2.97Å
13I84.9Confident65.9Low3 Ų380.2 Ų80.22%0.01540%0.395CS..EExtended strand (participates in β ladder)trans-100.7134.4176.7-60.2-179.9000108.1L8 T11 E28 I29 L96 L97L8-I13 HydrophobicContact CD1-CB 4.47Å; L8-I13 HydrophobicContact CD1-CG2 4.49Å; L8-I13 PolarHBondContact N-O 3.02Å; T11-I13 PolarHBondContact O-N 3.05Å; I13-E28 WeakPolarHBondContact CA-O 3.36Å; I13-I29 HydrophobicContact CG1-CG2 4.18Å; I13-L96 HydrophobicContact CD1-CB 4.02Å; I13-L96 HydrophobicContact CG2-CB 3.83Å; I13-L96 HydrophobicContact CG2-CD1 3.52Å; I13-L96 HydrophobicContact CG2-CG 4.32Å; I13-L97 HydrophobicContact CD1-CB 4.28Å; I13-L97 HydrophobicContact CD1-CD2 3.45Å; I13-L97 VanDerWaalsContact CD1-CD2 3.45Å; I13-L97 HydrophobicContact CD1-CG 3.45Å; I13-L97 VanDerWaalsContact CD1-CG 3.45Å
14K87.2Confident68.8Low57 Ų5774.7 Ų74.725%0.24838%0.378CS..EExtended strand (participates in β ladder)trans-138.8139.2176.1166.7174155.9-1400109.8C5 T16 G27 E28C5-K14 WeakPolarHBondContact SG-CD 3.4Å; C5-K14 WeakPolarHBondContact SG-CE 3.46Å; C5-K14 VanDerWaalsContact SG-CG 3.52Å; K14-T16 HydrophobicContact CD-CG2 4.49Å; K14-T16 HydrophobicContact CG-CG2 4.16Å; K14-G27 CarbonylContact O-C 3.57Å; K14-G27 WeakPolarHBondContact O-CA 3.44Å; K14-E28 HydrophobicContact CB-CB 4.24Å; K14-E28 WeakPolarHBondContact CD-OE2 3.36Å; K14-E28 WeakPolarHBondContact CE-OE2 3.38Å; K14-E28 PolarHBondContact N-O 3.41Å; K14-E28 IonicContact NZ-OE1 3.08Å; K14-E28 PolarHBondContact NZ-OE1 3.16Å; K14-E28 IonicContact NZ-OE2 3.29Å; K14-E28 PolarHBondContact NZ-OE2 2.84Å; K14-E28 PolarHBondContact O-N 2.89Å
15V88.5Confident71.7Confident24 Ų2469.7 Ų69.715%0.14535%0.352CS..EExtended strand (participates in β ladder)trans-125.6131.1174.9-177.70000108.4L25 K26 L96V15-L25 HydrophobicContact CG1-CB 4.22Å; V15-L25 HydrophobicContact CG1-CD1 4.25Å; V15-K26 CarbonylContact C-O 3.58Å; V15-K26 WeakPolarHBondContact CA-O 3.31Å; V15-L96 HydrophobicContact CG2-CD1 3.51Å
16T88Confident74.4Confident23 Ų2369.4 Ų69.414%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-130.7141178.155.70000110.5K14 L25 K26K14-T16 HydrophobicContact CD-CG2 4.49Å; K14-T16 HydrophobicContact CG-CG2 4.16Å; T16-L25 WeakPolarHBondContact O-CA 3.42Å; T16-K26 PolarHBondContact N-O 3.33Å; T16-K26 PolarHBondContact O-N 3.14Å
17V86.3Confident77Confident57 Ų5762.5 Ų62.535%0.34532%0.316SS..EExtended strand (participates in β ladder)trans-77.8128.8174-167.90000109T19 L25V17-T19 WeakPolarHBondContact CG1-O 3.38Å; V17-L25 HydrophobicContact CB-CD2 4.1Å; V17-L25 HydrophobicContact CG1-CD2 3.99Å; V17-L25 HydrophobicContact CG2-CD2 3.83Å
18E78.2Confident79.7Confident94 Ų9458.5 Ų58.544%0.43930%0.297SS..  trans-91.9-34-179.6-69.6-159.4139.900113.2E24 K26E18-E24 PolarHBondContact N-O 3.46Å; E18-E24 VanDerWaalsContact N-O 3.1Å; E18-K26 HydrophobicContact CG-CB 3.66Å; E18-K26 WeakPolarHBondContact OE1-CD 3.28Å
19T76.7Confident81.8Confident49 Ų4955.3 Ų55.330%0.30128%0.281SS..SBendtrans-117172.2-178.365.30000112.1V17 T21 E24V17-T19 WeakPolarHBondContact CG1-O 3.38Å; T19-T21 PolarHBondContact O-N 2.89Å; T19-T21 PolarHBondContact OG1-N 2.83Å; T19-T21 PolarHBondContact OG1-O 2.87Å; T19-T21 PolarHBondContact OG1-OG1 3.1Å; T19-E24 HydrophobicContact CG2-CB 4.11Å; T19-E24 VanDerWaalsContact CG2-OE2 3.22Å; T19-E24 WeakPolarHBondContact CG2-OE2 3.49Å
20D75.6Confident83.9Confident139 Ų13952.1 Ų52.174%0.74326%0.263SS*.SBendtrans-68.4-10.5171-62-37.6000112
21T77.4Confident85.4Confident66 Ų6650.3 Ų50.341%0.40525%0.248SC..SBendtrans-92.5137.9170.875.70000110T19 Q23T19-T21 PolarHBondContact O-N 2.89Å; T19-T21 PolarHBondContact OG1-N 2.83Å; T19-T21 PolarHBondContact OG1-O 2.87Å; T19-T21 PolarHBondContact OG1-OG1 3.1Å; T21-Q23 PolarHBondContact O-N 2.95Å
22Y80.5Confident86.4Confident189 Ų18950.2 Ų50.274%0.74125%0.248SC*.THydrogen-bonded Turntrans-72.911.2172.8-60.2-81.7000113
23Q89.1Confident86.8Confident94 Ų9450.3 Ų50.344%0.43925%0.246SC..THydrogen-bonded Turntrans-89.2-26-177.1-67.8-177.2-15.400113.1T21 Q47 I48T21-Q23 PolarHBondContact O-N 2.95Å; Q23-Q47 CarbonylContact O-C 3.51Å; Q23-Q47 WeakPolarHBondContact O-CA 3.37Å; Q23-I48 PolarHBondContact O-N 3.28Å
24E93Very high86.7Confident93 Ų9355 Ų5544%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-115.7109.8-179.8-65.2-175175.900110.4E18 T19E18-E24 PolarHBondContact N-O 3.46Å; E18-E24 VanDerWaalsContact N-O 3.1Å; T19-E24 HydrophobicContact CG2-CB 4.11Å; T19-E24 VanDerWaalsContact CG2-OE2 3.22Å; T19-E24 WeakPolarHBondContact CG2-OE2 3.49Å
25L94.4Very high86.8Confident17 Ų1752.9 Ų52.99%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-119.3154.4-179.3-47.3175.1000109.8V15 T16 V17 I46 I48 L92V15-L25 HydrophobicContact CG1-CB 4.22Å; V15-L25 HydrophobicContact CG1-CD1 4.25Å; T16-L25 WeakPolarHBondContact O-CA 3.42Å; V17-L25 HydrophobicContact CB-CD2 4.1Å; V17-L25 HydrophobicContact CG1-CD2 3.99Å; V17-L25 HydrophobicContact CG2-CD2 3.83Å; L25-I46 HydrophobicContact CB-CB 4.1Å; L25-I46 HydrophobicContact CB-CG2 4.5Å; L25-I46 PolarHBondContact N-O 3.27Å; L25-I46 PolarHBondContact O-N 3.4Å; L25-I48 HydrophobicContact CD1-CD1 3.95Å; L25-I48 HydrophobicContact CD1-CG1 3.94Å; L25-I48 HydrophobicContact CG-CG1 4.34Å; L25-L92 HydrophobicContact CD1-CD1 3.5Å
26K94Very high87Confident33 Ų3352.4 Ų52.414%0.14326%0.261CS..EExtended strand (participates in β ladder)trans-112.2124.8170.9-177.5-177.7-162.7157.40109.9V15 T16 E18 E43 M44V15-K26 CarbonylContact C-O 3.58Å; V15-K26 WeakPolarHBondContact CA-O 3.31Å; T16-K26 PolarHBondContact N-O 3.33Å; T16-K26 PolarHBondContact O-N 3.14Å; E18-K26 HydrophobicContact CG-CB 3.66Å; E18-K26 WeakPolarHBondContact OE1-CD 3.28Å; K26-E43 WeakPolarHBondContact CE-OE1 3.47Å; K26-E43 WeakPolarHBondContact CE-OE2 3.38Å; K26-E43 IonicContact NZ-OE1 2.82Å; K26-E43 PolarHBondContact NZ-OE1 3.25Å; K26-E43 IonicContact NZ-OE2 2.76Å; K26-E43 PolarHBondContact NZ-OE2 3.02Å; K26-M44 CarbonylContact C-O 3.44Å; K26-M44 WeakPolarHBondContact CA-O 3.39Å
27G93.3Very high87.3Confident0 Ų051.4 Ų51.40%026%0.255CS..EExtended strand (participates in β ladder)trans-98.5142.6170.300000111.1K14 E43 M44K14-G27 CarbonylContact O-C 3.57Å; K14-G27 WeakPolarHBondContact O-CA 3.44Å; G27-E43 CarbonylContact O-C 3.59Å; G27-E43 WeakPolarHBondContact O-CA 3.42Å; G27-M44 PolarHBondContact N-O 3.3Å; G27-M44 PolarHBondContact O-N 2.91Å
28E93.3Very high87.3Confident29 Ų2952.8 Ų52.814%0.13626%0.258CS..EExtended strand (participates in β ladder)trans-124.2131.3168.5-61.9177.6177.400108.2I13 K14 I41 Y42 E43I13-E28 WeakPolarHBondContact CA-O 3.36Å; K14-E28 HydrophobicContact CB-CB 4.24Å; K14-E28 WeakPolarHBondContact CD-OE2 3.36Å; K14-E28 WeakPolarHBondContact CE-OE2 3.38Å; K14-E28 PolarHBondContact N-O 3.41Å; K14-E28 IonicContact NZ-OE1 3.08Å; K14-E28 PolarHBondContact NZ-OE1 3.16Å; K14-E28 IonicContact NZ-OE2 3.29Å; K14-E28 PolarHBondContact NZ-OE2 2.84Å; K14-E28 PolarHBondContact O-N 2.89Å; E28-I41 HydrophobicContact CB-CG2 4.06Å; E28-I41 HydrophobicContact CG-CG2 4.42Å; E28-Y42 WeakPolarHBondContact CA-O 3.43Å; E28-E43 HydrophobicContact CG-CG 4.35Å
29I92.4Very high87.7Confident0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-126.9150.8170.465.5175.7000110.1I13 I41 Y42 M44 F61 L96 I99 Q100 L103I13-I29 HydrophobicContact CG1-CG2 4.18Å; I29-I41 WeakPolarHBondContact O-CA 3.37Å; I29-Y42 PolarHBondContact N-O 2.92Å; I29-Y42 PolarHBondContact O-N 3.02Å; I29-M44 HydrophobicContact CB-CE 4.15Å; I29-M44 HydrophobicContact CD1-CE 3.81Å; I29-M44 HydrophobicContact CG1-CE 3.66Å; I29-M44 HydrophobicContact CG2-CE 3.6Å; I29-F61 HydrophobicContact CD1-CZ 4.37Å; I29-L96 HydrophobicContact CG2-CB 3.98Å; I29-L96 HydrophobicContact CG2-CD2 4.14Å; I29-I99 HydrophobicContact CD1-CB 4.29Å; I29-I99 HydrophobicContact CD1-CG2 3.61Å; I29-Q100 HydrophobicContact CD1-CB 4.39Å; I29-L103 HydrophobicContact CD1-CD1 3.91Å
30R90.6Very high88.3Confident71 Ų7147.8 Ų47.827%0.26824%0.241SC..EExtended strand (participates in β ladder)trans-88.6139.9170.5-70.3-177-176.1-161.6-0.3110.3G12 G40 I41 Q100 Y167G12-R30 PolarHBondContact O-N 2.97Å; R30-G40 WeakPolarHBondContact CA-O 3.34Å; R30-I41 HydrophobicContact CG-CG1 4.27Å; R30-Q100 PolarHBondContact O-NE2 3.15Å; R30-Y167 WeakPolarHBondContact CB-OH 3.26Å
31G89.2Confident89.1Confident5 Ų542.1 Ų42.15%0.05221%0.211CC..PPolyproline II helixtrans-59.9135.1169.700000110.8Y37 G40G31-Y37 WeakPolarHBondContact CA-O 3.13Å; G31-G40 PolarHBondContact N-O 3.15Å
32P87.2Confident89.9Confident0 Ų039 Ų390%019%0.191CC..PPolyproline II helixtrans-66.8151.6-178.124.9-30.7000111.5S35 Q100 L103 V171 T175P32-S35 WeakPolarHBondContact O-CB 3.39Å; P32-S35 PolarHBondContact O-OG 3.13Å; P32-Q100 WeakPolarHBondContact CG-O 3.47Å; P32-L103 HydrophobicContact CG-CB 3.97Å; P32-V171 HydrophobicContact CB-CG1 3.99Å; P32-T175 HydrophobicContact CB-CG2 3.94Å
33P83.2Confident90.7Very high13 Ų1330.8 Ų30.88%0.08416%0.16CC..THydrogen-bonded Turntrans-61.9155.2173.829.3-34.8000111.3S35 D168 V171 R172P33-S35 PolarHBondContact O-N 3.42Å; P33-D168 VanDerWaalsContact CB-OD1 3.27Å; P33-D168 WeakPolarHBondContact CB-OD1 3.22Å; P33-D168 WeakPolarHBondContact CG-OD1 3.49Å; P33-V171 HydrophobicContact CG-CG1 4.44Å; P33-R172 HydrophobicContact CG-CG 3.86Å
34D82.8Confident91.1Very high102 Ų10226.3 Ų26.355%0.54514%0.139SC..THydrogen-bonded Turntrans60.410.5-177.5-54.5-22.9000115E38 R172D34-E38 PolarHBondContact N-OE2 3.11Å; D34-R172 VanDerWaalsContact CG-NH2 3.32Å; D34-R172 IonicContact OD1-CZ 3.83Å; D34-R172 IonicContact OD1-NH1 3.95Å; D34-R172 IonicContact OD1-NH2 2.61Å; D34-R172 PolarHBondContact OD1-NH2 2.99Å; D34-R172 IonicContact OD2-CZ 2.79Å; D34-R172 IonicContact OD2-NH1 3.22Å; D34-R172 PolarHBondContact OD2-NH1 2.86Å; D34-R172 IonicContact OD2-NH2 3.05Å; D34-R172 PolarHBondContact OD2-NH2 3.16Å; D34-R172 VanDerWaalsContact OD2-NH2 3.08Å
35S89.5Confident91.2Very high12 Ų1222.7 Ų22.78%0.08412%0.124CC..SBendtrans-100.6159173.383.10000110.7P32 P33 Y37 E38P32-S35 WeakPolarHBondContact O-CB 3.39Å; P32-S35 PolarHBondContact O-OG 3.13Å; P33-S35 PolarHBondContact O-N 3.42Å; S35-Y37 PolarHBondContact O-N 2.82Å; S35-Y37 WeakPolarHBondContact OG-CB 3.49Å; S35-Y37 PolarHBondContact OG-N 2.93Å; S35-Y37 VanDerWaalsContact OG-N 3.16Å; S35-E38 WeakPolarHBondContact O-CB 3.41Å; S35-E38 PolarHBondContact O-N 2.78Å; S35-E38 PolarHBondContact OG-N 2.98Å
36P92.4Very high91.3Very high14 Ų1422 Ų229%0.09112%0.121CC..THydrogen-bonded Turntrans-63.9-10.4171.928.1-34.2000113.2A131 R132P36-A131 HydrophobicContact CB-CB 3.64Å; P36-A131 HydrophobicContact CG-CB 3.8Å; P36-R132 HydrophobicContact CB-CG 3.84Å
37Y93.5Very high91.4Very high2 Ų225.1 Ų25.11%0.00814%0.136CC..THydrogen-bonded Turntrans-95.3-7.2-177.4-50.4-63000113.6G31 S35 G40 Y42 I65 W66 H67 L103 A131G31-Y37 WeakPolarHBondContact CA-O 3.13Å; S35-Y37 PolarHBondContact O-N 2.82Å; S35-Y37 WeakPolarHBondContact OG-CB 3.49Å; S35-Y37 PolarHBondContact OG-N 2.93Å; S35-Y37 VanDerWaalsContact OG-N 3.16Å; Y37-G40 PolarHBondContact O-N 2.8Å; Y37-G40 VanDerWaalsContact O-N 3.13Å; Y37-Y42 WeakPolarHBondContact CA-OH 3.48Å; Y37-Y42 VanDerWaalsContact CB-OH 3.23Å; Y37-Y42 WeakPolarHBondContact CB-OH 3.23Å; Y37-Y42 HydrophobicContact CD1-CE1 4.49Å; Y37-Y42 PolarHBondContact O-OH 2.86Å; Y37-I65 HydrophobicContact CD1-CD1 3.65Å; Y37-I65 HydrophobicContact CD1-CG1 3.79Å; Y37-I65 HydrophobicContact CE1-CD1 3.66Å; Y37-I65 HydrophobicContact CE1-CG1 3.48Å; Y37-I65 VanDerWaalsContact CE1-CG1 3.48Å; Y37-I65 HydrophobicContact CG-CD1 4.24Å; Y37-W66 PolarHBondContact OH-O 3.36Å; Y37-H67 AromaticContact CE2-CD2 3.65Å; Y37-H67 AromaticContact CZ-CD2 3.66Å; Y37-H67 WeakPolarHBondContact OH-CA 3.34Å; Y37-H67 WeakPolarHBondContact OH-CB 3.3Å; Y37-H67 PolarHBondContact OH-CD2 2.86Å; Y37-H67 VanDerWaalsContact OH-CD2 3.23Å; Y37-L103 HydrophobicContact CD2-CB 3.87Å; Y37-L103 WeakPolarHBondContact CD2-O 3.35Å; Y37-L103 HydrophobicContact CE2-CB 4.33Å; Y37-L103 WeakPolarHBondContact CE2-O 3.35Å; Y37-A131 HydrophobicContact CE1-CB 4.07Å
38E88Confident91.5Very high87 Ų8726.3 Ų26.341%0.40714%0.142SC..THydrogen-bonded Turntrans-49.7139-177.8-175178.7154.900112.2D34 S35 G40D34-E38 PolarHBondContact N-OE2 3.11Å; S35-E38 WeakPolarHBondContact O-CB 3.41Å; S35-E38 PolarHBondContact O-N 2.78Å; S35-E38 PolarHBondContact OG-N 2.98Å; E38-G40 PolarHBondContact O-N 2.84Å
39G85.5Confident91.6Very high32 Ų3226.6 Ų26.633%0.3315%0.146SC..THydrogen-bonded Turntrans78.9-11.8-179.300000115
40G89.7Confident91.6Very high6 Ų635.1 Ų35.16%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-83144.6173.900000113.3R30 G31 Y37 E38 Y42R30-G40 WeakPolarHBondContact CA-O 3.34Å; G31-G40 PolarHBondContact N-O 3.15Å; Y37-G40 PolarHBondContact O-N 2.8Å; Y37-G40 VanDerWaalsContact O-N 3.13Å; E38-G40 PolarHBondContact O-N 2.84Å; G40-Y42 WeakPolarHBondContact O-CE2 3.41Å
41I92Very high91.7Very high20 Ų2036.9 Ų36.910%0.10320%0.199CC..EExtended strand (participates in β ladder)trans-104.3126.1162.7-63.9171000108.8E28 I29 R30 K140 L142E28-I41 HydrophobicContact CB-CG2 4.06Å; E28-I41 HydrophobicContact CG-CG2 4.42Å; I29-I41 WeakPolarHBondContact O-CA 3.37Å; R30-I41 HydrophobicContact CG-CG1 4.27Å; I41-K140 HydrophobicContact CB-CB 4.09Å; I41-K140 PolarHBondContact N-O 3.18Å; I41-K140 PolarHBondContact O-N 3Å; I41-L142 HydrophobicContact CD1-CD1 4.25Å; I41-L142 HydrophobicContact CD1-CD2 3.38Å; I41-L142 HydrophobicContact CD1-CG 3.47Å; I41-L142 VanDerWaalsContact CD1-CG 3.47Å; I41-L142 HydrophobicContact CG1-CG 4.31Å
42Y95.5Very high91.9Very high0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-110.9123.7-177-57.7-90.2000110E28 I29 Y37 G40 F61 T63 I65 L103 A135 A139E28-Y42 WeakPolarHBondContact CA-O 3.43Å; I29-Y42 PolarHBondContact N-O 2.92Å; I29-Y42 PolarHBondContact O-N 3.02Å; Y37-Y42 WeakPolarHBondContact CA-OH 3.48Å; Y37-Y42 VanDerWaalsContact CB-OH 3.23Å; Y37-Y42 WeakPolarHBondContact CB-OH 3.23Å; Y37-Y42 HydrophobicContact CD1-CE1 4.49Å; Y37-Y42 PolarHBondContact O-OH 2.86Å; G40-Y42 WeakPolarHBondContact O-CE2 3.41Å; Y42-F61 HydrophobicContact CD1-CE1 4.3Å; Y42-F61 HydrophobicContact CG-CE1 4.24Å; Y42-T63 HydrophobicContact CD1-CG2 3.67Å; Y42-T63 HydrophobicContact CE1-CG2 4.29Å; Y42-T63 HydrophobicContact CG-CG2 4.48Å; Y42-I65 HydrophobicContact CD1-CB 4.45Å; Y42-I65 HydrophobicContact CD1-CD1 3.85Å; Y42-I65 HydrophobicContact CD1-CG1 4.37Å; Y42-I65 HydrophobicContact CE1-CB 4.42Å; Y42-I65 HydrophobicContact CE1-CD1 3.7Å; Y42-I65 HydrophobicContact CE1-CG1 4.01Å; Y42-L103 HydrophobicContact CD2-CD1 4.24Å; Y42-L103 HydrophobicContact CE2-CD1 4.49Å; Y42-A135 VanDerWaalsContact OH-CB 3.26Å; Y42-A135 WeakPolarHBondContact OH-CB 3.37Å; Y42-A139 HydrophobicContact CD1-CB 4.19Å; Y42-A139 HydrophobicContact CE1-CB 3.71Å; Y42-A139 HydrophobicContact CE2-CB 4.38Å
43E95.9Very high92.2Very high17 Ų1742.3 Ų42.38%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-94.2140.3179.1-54.1-167.1138.100110.6K26 G27 E28 I62 T63 K140K26-E43 WeakPolarHBondContact CE-OE1 3.47Å; K26-E43 WeakPolarHBondContact CE-OE2 3.38Å; K26-E43 IonicContact NZ-OE1 2.82Å; K26-E43 PolarHBondContact NZ-OE1 3.25Å; K26-E43 IonicContact NZ-OE2 2.76Å; K26-E43 PolarHBondContact NZ-OE2 3.02Å; G27-E43 CarbonylContact O-C 3.59Å; G27-E43 WeakPolarHBondContact O-CA 3.42Å; E28-E43 HydrophobicContact CG-CG 4.35Å; E43-I62 HydrophobicContact CB-CB 4.2Å; E43-I62 HydrophobicContact CB-CD1 4.5Å; E43-I62 PolarHBondContact O-N 3.05Å; E43-T63 PolarHBondContact N-OG1 3.45Å; E43-T63 PolarHBondContact O-N 3.28Å; E43-T63 VanDerWaalsContact O-N 3.1Å; E43-K140 WeakPolarHBondContact OE1-CE 3.45Å; E43-K140 IonicContact OE1-NZ 3.92Å; E43-K140 PolarHBondContact OE1-NZ 3.4Å; E43-K140 IonicContact OE2-NZ 3.26Å
44M97Very high92.7Very high0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-131.4141.9177.1-69163.7-75.700110.4K26 G27 I29 V59 R60 F61 L96 I99K26-M44 CarbonylContact C-O 3.44Å; K26-M44 WeakPolarHBondContact CA-O 3.39Å; G27-M44 PolarHBondContact N-O 3.3Å; G27-M44 PolarHBondContact O-N 2.91Å; I29-M44 HydrophobicContact CB-CE 4.15Å; I29-M44 HydrophobicContact CD1-CE 3.81Å; I29-M44 HydrophobicContact CG1-CE 3.66Å; I29-M44 HydrophobicContact CG2-CE 3.6Å; M44-V59 HydrophobicContact CB-CG1 4Å; M44-V59 HydrophobicContact CG-CG1 4.22Å; M44-V59 HydrophobicContact SD-CG1 3.86Å; M44-R60 CarbonylContact C-O 3.6Å; M44-R60 WeakPolarHBondContact CA-O 3.09Å; M44-R60 WeakPolarHBondContact CB-O 3.49Å; M44-F61 HydrophobicContact CG-CD1 4.23Å; M44-F61 HydrophobicContact CG-CD2 3.86Å; M44-F61 HydrophobicContact CG-CE1 4.37Å; M44-F61 HydrophobicContact CG-CE2 4Å; M44-F61 HydrophobicContact CG-CG 3.97Å; M44-F61 HydrophobicContact CG-CZ 4.26Å; M44-F61 HydrophobicContact SD-CD2 4.16Å; M44-F61 HydrophobicContact SD-CE1 4.49Å; M44-F61 HydrophobicContact SD-CE2 3.7Å; M44-F61 HydrophobicContact SD-CZ 3.89Å; M44-L96 HydrophobicContact CE-CD2 3.4Å; M44-L96 VanDerWaalsContact CE-CD2 3.4Å; M44-L96 HydrophobicContact SD-CD2 4.03Å; M44-I99 HydrophobicContact SD-CD1 3.78Å; M44-I99 HydrophobicContact SD-CG2 4.09Å
45A96.4Very high93.3Very high16 Ų1649 Ų4913%0.13225%0.249CC..EExtended strand (participates in β ladder)trans-86131.3165.200000108.1V59 R60 I62A45-V59 WeakPolarHBondContact O-CA 3.42Å; A45-R60 HydrophobicContact CB-CG 3.92Å; A45-R60 PolarHBondContact N-O 3.41Å; A45-R60 PolarHBondContact O-N 2.8Å; A45-I62 HydrophobicContact CB-CD1 3.95Å; A45-I62 HydrophobicContact CB-CG1 3.97Å
46I96.6Very high93.5Very high4 Ų450 Ų502%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-120.8117178.9-57.1171.5000106.9L25 I48 P57 K58 V59 L92 L96L25-I46 HydrophobicContact CB-CB 4.1Å; L25-I46 HydrophobicContact CB-CG2 4.5Å; L25-I46 PolarHBondContact N-O 3.27Å; L25-I46 PolarHBondContact O-N 3.4Å; I46-I48 HydrophobicContact CG2-CD1 4.04Å; I46-P57 HydrophobicContact CG2-CB 4.07Å; I46-K58 CarbonylContact C-O 3.4Å; I46-K58 WeakPolarHBondContact CA-O 3.38Å; I46-V59 HydrophobicContact CG1-CG1 4.35Å; I46-V59 HydrophobicContact CG1-CG2 4.28Å; I46-V59 HydrophobicContact CG2-CG2 4.46Å; I46-L92 HydrophobicContact CG2-CD2 3.91Å; I46-L96 HydrophobicContact CD1-CD1 4.25Å; I46-L96 HydrophobicContact CD1-CD2 4.21Å
47Q95.8Very high93.7Very high98 Ų9849.5 Ų49.546%0.45825%0.251SS..EExtended strand (participates in β ladder)trans-106.2121.9176.3-170.9-178.518.100109.8Q23 P57 K58Q23-Q47 CarbonylContact O-C 3.51Å; Q23-Q47 WeakPolarHBondContact O-CA 3.37Å; Q47-P57 CarbonylContact O-C 3.54Å; Q47-P57 WeakPolarHBondContact O-CA 3.4Å; Q47-K58 HydrophobicContact CB-CB 4.25Å; Q47-K58 PolarHBondContact N-O 3.45Å; Q47-K58 PolarHBondContact O-N 3.41Å
48I95.1Very high93.8Very high25 Ų2556.5 Ų56.513%0.12828%0.282CS..  trans-86.9120.8176.2-51.5-57.2000108.8Q23 L25 I46 Y52 P57 L92Q23-I48 PolarHBondContact O-N 3.28Å; L25-I48 HydrophobicContact CD1-CD1 3.95Å; L25-I48 HydrophobicContact CD1-CG1 3.94Å; L25-I48 HydrophobicContact CG-CG1 4.34Å; I46-I48 HydrophobicContact CG2-CD1 4.04Å; I48-Y52 VanDerWaalsContact CG2-CB 3.45Å; I48-Y52 HydrophobicContact CG2-CD1 4.05Å; I48-Y52 HydrophobicContact CG2-CD2 4.05Å; I48-Y52 HydrophobicContact CG2-CG 3.58Å; I48-P57 HydrophobicContact CD1-CB 4.06Å; I48-L92 HydrophobicContact CD1-CD1 4.29Å; I48-L92 HydrophobicContact CD1-CD2 4.12Å
49P94.5Very high94.3Very high34 Ų3453 Ų5322%0.22127%0.266CS..  trans-73.3160.5176.732.5-37.5000111.4M51 Y52 H55 P56P49-M51 PolarHBondContact O-N 3.14Å; P49-Y52 VanDerWaalsContact O-CB 3.31Å; P49-Y52 WeakPolarHBondContact O-CB 3.36Å; P49-Y52 PolarHBondContact O-N 3.36Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; P49-H55 HydrophobicContact CB-CB 4.3Å; P49-H55 HydrophobicContact CG-CB 3.8Å; P49-H55 WeakPolarHBondContact CG-O 3.43Å; P49-P56 WeakPolarHBondContact CG-O 3.42Å
50E93.5Very high94.8Very high180 Ų18057.9 Ų57.984%0.84128%0.275SS*.THydrogen-bonded Turntrans-57.5-34.5177.8-65.7-179.917400113.2Y52E50-Y52 VanDerWaalsContact C-N 3.32Å; E50-Y52 PolarHBondContact O-N 3.07Å
51M93.6Very high95.2Very high107 Ų10757.8 Ų57.853%0.52727%0.273SS..THydrogen-bonded Turntrans-90.815.6-179-62.4-63.3-61.800113.3P49 F54 H55P49-M51 PolarHBondContact O-N 3.14Å; M51-F54 WeakPolarHBondContact O-CA 3.18Å; M51-F54 VanDerWaalsContact O-CB 3.3Å; M51-F54 WeakPolarHBondContact O-CB 3.16Å; M51-F54 PolarHBondContact O-N 2.92Å; M51-H55 HydrophobicContact CB-CB 4.3Å; M51-H55 PolarHBondContact O-N 3.16Å; M51-H55 VanDerWaalsContact O-N 3.15Å
52Y93Very high95.5Very high75 Ų7560.2 Ų60.229%0.29429%0.285SS..THydrogen-bonded Turntrans-62.8137.4174.2-172.3-89.5000110.6I48 P49 E50 P57 W86I48-Y52 VanDerWaalsContact CG2-CB 3.45Å; I48-Y52 HydrophobicContact CG2-CD1 4.05Å; I48-Y52 HydrophobicContact CG2-CD2 4.05Å; I48-Y52 HydrophobicContact CG2-CG 3.58Å; P49-Y52 VanDerWaalsContact O-CB 3.31Å; P49-Y52 WeakPolarHBondContact O-CB 3.36Å; P49-Y52 PolarHBondContact O-N 3.36Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; E50-Y52 VanDerWaalsContact C-N 3.32Å; E50-Y52 PolarHBondContact O-N 3.07Å; Y52-P57 HydrophobicContact CE2-CG 4.45Å; Y52-W86 HydrophobicContact CD2-CZ2 4.23Å; Y52-W86 AromaticContact CE2-CH2 3.69Å; Y52-W86 HydrophobicContact CE2-CH2 3.69Å; Y52-W86 AromaticContact CE2-CZ2 3.66Å; Y52-W86 HydrophobicContact CE2-CZ2 3.66Å
53P92.9Very high95.5Very high45 Ų4560.7 Ų60.729%0.29229%0.288SS..THydrogen-bonded Turncis-9210.68.337.2-36.8000115.1W86 A88P53-W86 PolarHBondContact O-NE1 2.74Å; P53-A88 HydrophobicContact CB-CB 4.1Å; P53-A88 HydrophobicContact CG-CB 4.11Å; P53-A88 WeakPolarHBondContact O-CA 3.41Å; P53-A88 WeakPolarHBondContact O-CB 3.31Å
54F94Very high95.6Very high150 Ų15066.9 Ų66.966%0.65831%0.311SS*.THydrogen-bonded Turntrans-74.8-27.8179.1-55.4-73.9000113M51M51-F54 WeakPolarHBondContact O-CA 3.18Å; M51-F54 VanDerWaalsContact O-CB 3.3Å; M51-F54 WeakPolarHBondContact O-CB 3.16Å; M51-F54 PolarHBondContact O-N 2.92Å
55H94.5Very high95.6Very high105 Ų10567.1 Ų67.149%0.48631%0.312SS..SBendtrans-107.7143.2168.2-69.2170.7000111.2P49 M51P49-H55 HydrophobicContact CB-CB 4.3Å; P49-H55 HydrophobicContact CG-CB 3.8Å; P49-H55 WeakPolarHBondContact CG-O 3.43Å; M51-H55 HydrophobicContact CB-CB 4.3Å; M51-H55 PolarHBondContact O-N 3.16Å; M51-H55 VanDerWaalsContact O-N 3.15Å
56P95.4Very high95.7Very high34 Ų3467.8 Ų67.822%0.22131%0.311CS..PPolyproline II helixtrans-66.5152.2-179.624.9-32.2000112.4P49 L82 W86P49-P56 WeakPolarHBondContact CG-O 3.42Å; P56-L82 WeakPolarHBondContact CG-O 3.36Å; P56-W86 HydrophobicContact CB-CB 3.95Å; P56-W86 HydrophobicContact CB-CD2 3.59Å; P56-W86 HydrophobicContact CB-CE3 3.91Å; P56-W86 HydrophobicContact CB-CG 3.59Å; P56-W86 HydrophobicContact CG-CB 4.21Å; P56-W86 HydrophobicContact CG-CG 4.12Å
57P96Very high95.8Very high2 Ų267.6 Ų67.61%0.01331%0.31CS..PPolyproline II helixtrans-66.9147169.132.3-34000109.9I46 Q47 I48 Y52 L82 W86 L92I46-P57 HydrophobicContact CG2-CB 4.07Å; Q47-P57 CarbonylContact O-C 3.54Å; Q47-P57 WeakPolarHBondContact O-CA 3.4Å; I48-P57 HydrophobicContact CD1-CB 4.06Å; Y52-P57 HydrophobicContact CE2-CG 4.45Å; P57-L82 HydrophobicContact CG-CD2 4.28Å; P57-W86 HydrophobicContact CG-CH2 4.44Å; P57-W86 HydrophobicContact CG-CZ3 4.35Å; P57-L92 HydrophobicContact CB-CD2 4.05Å; P57-L92 HydrophobicContact CG-CD2 3.84Å
58K96.2Very high95.9Very high149 Ų14963 Ų6365%0.64829%0.288SS*.EExtended strand (participates in β ladder)trans-87.4123.1169.7-61.7-179.7-178.9175.80108.7I46 Q47I46-K58 CarbonylContact C-O 3.4Å; I46-K58 WeakPolarHBondContact CA-O 3.38Å; Q47-K58 HydrophobicContact CB-CB 4.25Å; Q47-K58 PolarHBondContact N-O 3.45Å; Q47-K58 PolarHBondContact O-N 3.41Å
59V97.4Very high96Very high13 Ų1362 Ų628%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-116.8129.7178.8-173.10000109.5M44 A45 I46 L82 V95 I99M44-V59 HydrophobicContact CB-CG1 4Å; M44-V59 HydrophobicContact CG-CG1 4.22Å; M44-V59 HydrophobicContact SD-CG1 3.86Å; A45-V59 WeakPolarHBondContact O-CA 3.42Å; I46-V59 HydrophobicContact CG1-CG1 4.35Å; I46-V59 HydrophobicContact CG1-CG2 4.28Å; I46-V59 HydrophobicContact CG2-CG2 4.46Å; V59-L82 HydrophobicContact CB-CD1 3.99Å; V59-L82 HydrophobicContact CG2-CD1 4.19Å; V59-L82 HydrophobicContact CG2-CD2 4.13Å; V59-V95 HydrophobicContact CG2-CG1 4.04Å; V59-I99 HydrophobicContact CB-CD1 4.48Å; V59-I99 HydrophobicContact CG1-CD1 3.82Å
60R97.1Very high96.2Very high135 Ų13560.4 Ų60.451%0.50927%0.273SS..EExtended strand (participates in β ladder)trans-135.8144.2171.167.6179.4-179.193.21.1110.6M44 A45 I62 G75M44-R60 CarbonylContact C-O 3.6Å; M44-R60 WeakPolarHBondContact CA-O 3.09Å; M44-R60 WeakPolarHBondContact CB-O 3.49Å; A45-R60 HydrophobicContact CB-CG 3.92Å; A45-R60 PolarHBondContact N-O 3.41Å; A45-R60 PolarHBondContact O-N 2.8Å; R60-I62 PolarHBondContact O-N 3.44Å; R60-G75 CarbonylContact C-O 3.56Å; R60-G75 WeakPolarHBondContact CA-O 3.46Å
61F98.2Very high96.4Very high5 Ų552.6 Ų52.62%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-67.2130170.7-83.7-109.5000110.5I29 Y42 M44 T63 I65 I70 G75 V77 I99 L103I29-F61 HydrophobicContact CD1-CZ 4.37Å; Y42-F61 HydrophobicContact CD1-CE1 4.3Å; Y42-F61 HydrophobicContact CG-CE1 4.24Å; M44-F61 HydrophobicContact CG-CD1 4.23Å; M44-F61 HydrophobicContact CG-CD2 3.86Å; M44-F61 HydrophobicContact CG-CE1 4.37Å; M44-F61 HydrophobicContact CG-CE2 4Å; M44-F61 HydrophobicContact CG-CG 3.97Å; M44-F61 HydrophobicContact CG-CZ 4.26Å; M44-F61 HydrophobicContact SD-CD2 4.16Å; M44-F61 HydrophobicContact SD-CE1 4.49Å; M44-F61 HydrophobicContact SD-CE2 3.7Å; M44-F61 HydrophobicContact SD-CZ 3.89Å; F61-T63 WeakPolarHBondContact CB-O 3.35Å; F61-I65 HydrophobicContact CD1-CB 4.47Å; F61-I65 HydrophobicContact CD1-CG2 3.87Å; F61-I65 HydrophobicContact CE1-CD1 4.14Å; F61-I65 HydrophobicContact CE1-CG2 4.19Å; F61-I65 HydrophobicContact CG-CG2 4.25Å; F61-I70 HydrophobicContact CB-CG2 4.25Å; F61-I70 HydrophobicContact CD2-CD1 3.96Å; F61-I70 HydrophobicContact CD2-CG1 4.34Å; F61-I70 HydrophobicContact CD2-CG2 3.77Å; F61-I70 HydrophobicContact CE1-CD1 4.08Å; F61-I70 HydrophobicContact CE2-CD1 3.41Å; F61-I70 VanDerWaalsContact CE2-CD1 3.41Å; F61-I70 HydrophobicContact CE2-CG1 4.07Å; F61-I70 HydrophobicContact CE2-CG2 4.34Å; F61-I70 HydrophobicContact CG-CG2 4.02Å; F61-I70 HydrophobicContact CZ-CD1 3.47Å; F61-I70 VanDerWaalsContact CZ-CD1 3.47Å; F61-G75 PolarHBondContact N-O 3.19Å; F61-V77 HydrophobicContact CD2-CG2 3.51Å; F61-V77 HydrophobicContact CE2-CG2 3.64Å; F61-I99 HydrophobicContact CE2-CG2 3.72Å; F61-I99 HydrophobicContact CZ-CG2 3.61Å; F61-L103 HydrophobicContact CZ-CD2 4.36Å
62I97.1Very high96.5Very high70 Ų7048.5 Ų48.536%0.35922%0.22SC..SBendtrans-87.2-44164.6-60.7167000108.1E43 A45 R60 R64E43-I62 HydrophobicContact CB-CB 4.2Å; E43-I62 HydrophobicContact CB-CD1 4.5Å; E43-I62 PolarHBondContact O-N 3.05Å; A45-I62 HydrophobicContact CB-CD1 3.95Å; A45-I62 HydrophobicContact CB-CG1 3.97Å; R60-I62 PolarHBondContact O-N 3.44Å; I62-R64 PolarHBondContact O-N 3Å
63T96.4Very high96.6Very high11 Ų1151 Ų517%0.06724%0.243CC..SBendtrans-70.5120.2173.1-61.90000109.9Y42 E43 F61 I65 Y138 A139Y42-T63 HydrophobicContact CD1-CG2 3.67Å; Y42-T63 HydrophobicContact CE1-CG2 4.29Å; Y42-T63 HydrophobicContact CG-CG2 4.48Å; E43-T63 PolarHBondContact N-OG1 3.45Å; E43-T63 PolarHBondContact O-N 3.28Å; E43-T63 VanDerWaalsContact O-N 3.1Å; F61-T63 WeakPolarHBondContact CB-O 3.35Å; T63-I65 PolarHBondContact O-N 2.89Å; T63-Y138 WeakPolarHBondContact CG2-O 3.37Å; T63-A139 HydrophobicContact CG2-CB 4.24Å
64R97.4Very high96.8Very high147 Ų14752.8 Ų52.856%0.55525%0.254SS*.  trans-61.7136.8174.5-65.2-174.3-174.1-1720.6110.6I62 W134 Y138I62-R64 PolarHBondContact O-N 3Å; R64-W134 HydrophobicContact CB-CE3 4.04Å; R64-W134 HydrophobicContact CB-CZ3 3.84Å; R64-Y138 HydrophobicContact CB-CD1 4.16Å; R64-Y138 HydrophobicContact CB-CD2 3.73Å; R64-Y138 HydrophobicContact CB-CE2 4.13Å; R64-Y138 HydrophobicContact CB-CG 3.75Å; R64-Y138 WeakPolarHBondContact O-CB 3.39Å
65I97.8Very high97Very high4 Ų446 Ų462%0.02123%0.226CC..  trans-143.5142.6-177.2-168.7172.3000109.8Y37 Y42 F61 T63 H67 I70 L103Y37-I65 HydrophobicContact CD1-CD1 3.65Å; Y37-I65 HydrophobicContact CD1-CG1 3.79Å; Y37-I65 HydrophobicContact CE1-CD1 3.66Å; Y37-I65 HydrophobicContact CE1-CG1 3.48Å; Y37-I65 VanDerWaalsContact CE1-CG1 3.48Å; Y37-I65 HydrophobicContact CG-CD1 4.24Å; Y42-I65 HydrophobicContact CD1-CB 4.45Å; Y42-I65 HydrophobicContact CD1-CD1 3.85Å; Y42-I65 HydrophobicContact CD1-CG1 4.37Å; Y42-I65 HydrophobicContact CE1-CB 4.42Å; Y42-I65 HydrophobicContact CE1-CD1 3.7Å; Y42-I65 HydrophobicContact CE1-CG1 4.01Å; F61-I65 HydrophobicContact CD1-CB 4.47Å; F61-I65 HydrophobicContact CD1-CG2 3.87Å; F61-I65 HydrophobicContact CE1-CD1 4.14Å; F61-I65 HydrophobicContact CE1-CG2 4.19Å; F61-I65 HydrophobicContact CG-CG2 4.25Å; T63-I65 PolarHBondContact O-N 2.89Å; I65-H67 HydrophobicContact CD1-CB 4.44Å; I65-H67 HydrophobicContact CG1-CB 4.27Å; I65-H67 HydrophobicContact CG2-CB 4.48Å; I65-I70 HydrophobicContact CD1-CD1 4.29Å; I65-I70 HydrophobicContact CG2-CB 3.95Å; I65-I70 HydrophobicContact CG2-CD1 3.82Å; I65-I70 HydrophobicContact CG2-CG2 3.62Å; I65-L103 HydrophobicContact CD1-CD1 4.2Å; I65-L103 HydrophobicContact CD1-CD2 3.5Å; I65-L103 HydrophobicContact CD1-CG 4.5Å
66W98.3Very high97.1Very high31 Ų3142.7 Ų42.712%0.11722%0.216CC..  trans-9790.8175.7-163.8-106.5000108.8Y37 V115 V116 F127 T130 A131 W134Y37-W66 PolarHBondContact OH-O 3.36Å; W66-V115 HydrophobicContact CH2-CG1 4.28Å; W66-V115 HydrophobicContact CZ2-CG1 4.48Å; W66-V116 HydrophobicContact CD2-CG1 4.33Å; W66-V116 HydrophobicContact CD2-CG2 3.7Å; W66-V116 HydrophobicContact CE3-CG2 3.84Å; W66-V116 HydrophobicContact CG-CG1 4.18Å; W66-V116 HydrophobicContact CG-CG2 4.32Å; W66-V116 HydrophobicContact CH2-CG2 3.92Å; W66-V116 HydrophobicContact CZ2-CB 4.5Å; W66-V116 HydrophobicContact CZ2-CG2 3.79Å; W66-V116 HydrophobicContact CZ3-CG2 3.94Å; W66-F127 AromaticContact CD1-CD2 3.86Å; W66-F127 AromaticContact CD1-CE2 3.97Å; W66-T130 HydrophobicContact CD2-CG2 3.97Å; W66-T130 HydrophobicContact CG-CG2 3.92Å; W66-T130 HydrophobicContact CZ2-CG2 4.43Å; W66-A131 HydrophobicContact CB-CB 4.37Å; W66-W134 HydrophobicContact CB-CB 4.05Å; W66-W134 HydrophobicContact CB-CD2 3.85Å; W66-W134 HydrophobicContact CB-CE3 4.16Å; W66-W134 HydrophobicContact CB-CG 3.79Å; W66-W134 HydrophobicContact CD2-CZ2 4.39Å; W66-W134 HydrophobicContact CE3-CD2 4.05Å; W66-W134 AromaticContact CE3-CE2 3.51Å; W66-W134 HydrophobicContact CE3-CE3 4.32Å; W66-W134 AromaticContact CE3-CH2 3.66Å; W66-W134 HydrophobicContact CE3-CH2 3.66Å; W66-W134 AromaticContact CE3-CZ2 3.33Å; W66-W134 HydrophobicContact CE3-CZ2 3.33Å; W66-W134 HydrophobicContact CE3-CZ3 4.13Å; W66-W134 AromaticContact CE3-NE1 3.98Å; W66-W134 AromaticContact CZ3-CH2 3.95Å; W66-W134 HydrophobicContact CZ3-CH2 3.95Å; W66-W134 AromaticContact CZ3-CZ2 3.57Å; W66-W134 HydrophobicContact CZ3-CZ2 3.57Å
67H98.3Very high97Very high0 Ų041.8 Ų41.80%021%0.21CC..BIsolated β-bridgetrans-144.5136.5-175-174.5-81.4000110.7Y37 I65 N69 I70 L102 V116Y37-H67 AromaticContact CE2-CD2 3.65Å; Y37-H67 AromaticContact CZ-CD2 3.66Å; Y37-H67 WeakPolarHBondContact OH-CA 3.34Å; Y37-H67 WeakPolarHBondContact OH-CB 3.3Å; Y37-H67 PolarHBondContact OH-CD2 2.86Å; Y37-H67 VanDerWaalsContact OH-CD2 3.23Å; I65-H67 HydrophobicContact CD1-CB 4.44Å; I65-H67 HydrophobicContact CG1-CB 4.27Å; I65-H67 HydrophobicContact CG2-CB 4.48Å; H67-N69 VanDerWaalsContact C-N 3.32Å; H67-N69 PolarHBondContact CE1-OD1 2.79Å; H67-N69 VanDerWaalsContact CE1-OD1 3.25Å; H67-N69 PolarHBondContact ND1-N 3.28Å; H67-N69 PolarHBondContact O-N 3.37Å; H67-I70 HydrophobicContact CB-CB 4.2Å; H67-I70 HydrophobicContact CB-CD1 4.03Å; H67-I70 HydrophobicContact CB-CG1 4.31Å; H67-I70 PolarHBondContact O-N 2.78Å; H67-I70 VanDerWaalsContact O-N 3.15Å; H67-L102 PolarHBondContact NE2-O 3Å; H67-V116 VanDerWaalsContact C-CG1 3.48Å
68P97.3Very high96.7Very high0 Ų042.3 Ų42.30%021%0.214CC..THydrogen-bonded Turntrans-61.9-33.9-174.424.3-35.5000114.1P106 P111 Q112 D113 A117 M120P68-P106 HydrophobicContact CG-CB 3.52Å; P68-P111 CarbonylContact O-C 3.54Å; P68-Q112 PolarHBondContact O-N 3.48Å; P68-D113 PolarHBondContact O-N 3.47Å; P68-A117 HydrophobicContact CB-CB 3.83Å; P68-M120 HydrophobicContact CG-SD 3.82Å
69N97Very high96.3Very high5 Ų535.6 Ų35.63%0.02719%0.185CC..THydrogen-bonded Turntrans-92.610179.2-4897.4000114.4H67 C78 L102 E107 D110 Q112H67-N69 VanDerWaalsContact C-N 3.32Å; H67-N69 PolarHBondContact CE1-OD1 2.79Å; H67-N69 VanDerWaalsContact CE1-OD1 3.25Å; H67-N69 PolarHBondContact ND1-N 3.28Å; H67-N69 PolarHBondContact O-N 3.37Å; N69-C78 PolarHBondContact O-N 3.1Å; N69-L102 HydrophobicContact CB-CD1 4.11Å; N69-L102 HydrophobicContact CB-CD2 3.89Å; N69-L102 HydrophobicContact CB-CG 4.26Å; N69-E107 PolarHBondContact ND2-O 2.87Å; N69-E107 PolarHBondContact OD1-N 3.37Å; N69-E107 PolarHBondContact OD1-O 3.02Å; N69-D110 PolarHBondContact ND2-O 3.03Å; N69-Q112 WeakPolarHBondContact O-CB 3.26Å
70I98.1Very high95.7Very high0 Ų038.8 Ų38.80%020%0.202CC..BIsolated β-bridgetrans-131.5128.5176.1-55.3164000108.9F61 I65 H67 S72 A76 V77 L103F61-I70 HydrophobicContact CB-CG2 4.25Å; F61-I70 HydrophobicContact CD2-CD1 3.96Å; F61-I70 HydrophobicContact CD2-CG1 4.34Å; F61-I70 HydrophobicContact CD2-CG2 3.77Å; F61-I70 HydrophobicContact CE1-CD1 4.08Å; F61-I70 HydrophobicContact CE2-CD1 3.41Å; F61-I70 VanDerWaalsContact CE2-CD1 3.41Å; F61-I70 HydrophobicContact CE2-CG1 4.07Å; F61-I70 HydrophobicContact CE2-CG2 4.34Å; F61-I70 HydrophobicContact CG-CG2 4.02Å; F61-I70 HydrophobicContact CZ-CD1 3.47Å; F61-I70 VanDerWaalsContact CZ-CD1 3.47Å; I65-I70 HydrophobicContact CD1-CD1 4.29Å; I65-I70 HydrophobicContact CG2-CB 3.95Å; I65-I70 HydrophobicContact CG2-CD1 3.82Å; I65-I70 HydrophobicContact CG2-CG2 3.62Å; H67-I70 HydrophobicContact CB-CB 4.2Å; H67-I70 HydrophobicContact CB-CD1 4.03Å; H67-I70 HydrophobicContact CB-CG1 4.31Å; H67-I70 PolarHBondContact O-N 2.78Å; H67-I70 VanDerWaalsContact O-N 3.15Å; I70-S72 PolarHBondContact O-N 2.93Å; I70-S72 VanDerWaalsContact O-N 3.16Å; I70-A76 CarbonylContact C-O 3.58Å; I70-A76 WeakPolarHBondContact CA-O 3.32Å; I70-V77 HydrophobicContact CG1-CG1 4.46Å; I70-V77 HydrophobicContact CG1-CG2 4.39Å; I70-L103 HydrophobicContact CD1-CD2 3.62Å
71S97.9Very high95.2Very high17 Ų1732.4 Ų32.412%0.11918%0.178CC..  trans-61.9120.1178.3176.80000111V73 T74 G75 A76S71-V73 PolarHBondContact O-N 3.4Å; S71-V73 PolarHBondContact OG-N 2.9Å; S71-T74 WeakPolarHBondContact CB-OG1 3.48Å; S71-T74 PolarHBondContact OG-N 3.09Å; S71-T74 VanDerWaalsContact OG-N 3.09Å; S71-T74 PolarHBondContact OG-OG1 3.46Å; S71-G75 VanDerWaalsContact O-CA 3.3Å; S71-G75 WeakPolarHBondContact O-CA 3.14Å; S71-G75 PolarHBondContact O-N 3.23Å; S71-A76 PolarHBondContact N-O 2.87Å
72S96.2Very high94.7Very high20 Ų2033.3 Ų33.314%0.1418%0.183CC..THydrogen-bonded Turntrans-64.2-20.1176.562.40000113.3I70 D113I70-S72 PolarHBondContact O-N 2.93Å; I70-S72 VanDerWaalsContact O-N 3.16Å; S72-D113 WeakPolarHBondContact CB-OD2 3.43Å; S72-D113 PolarHBondContact N-OD2 3.46Å; S72-D113 PolarHBondContact OG-OD2 3.19Å
73V96.1Very high94.3Very high127 Ų12735.2 Ų35.277%0.7719%0.188SC*.THydrogen-bonded Turntrans-94.4-48.7-178.9-1790000112S71S71-V73 PolarHBondContact O-N 3.4Å; S71-V73 PolarHBondContact OG-N 2.9Å
74T96.9Very high93.9Very high84 Ų8440.1 Ų40.152%0.51521%0.214SC..THydrogen-bonded Turntrans-105.7-16.7-169.465.60000114S71 A76S71-T74 WeakPolarHBondContact CB-OG1 3.48Å; S71-T74 PolarHBondContact OG-N 3.09Å; S71-T74 VanDerWaalsContact OG-N 3.09Å; S71-T74 PolarHBondContact OG-OG1 3.46Å; T74-A76 PolarHBondContact O-N 2.88Å; T74-A76 WeakPolarHBondContact OG1-CB 3.36Å; T74-A76 PolarHBondContact OG1-N 3.47Å
75G97.3Very high93.4Very high7 Ų737.9 Ų37.97%0.07221%0.21CC..  trans72.16.1-171.400000114.4R60 F61 S71 V77R60-G75 CarbonylContact C-O 3.56Å; R60-G75 WeakPolarHBondContact CA-O 3.46Å; F61-G75 PolarHBondContact N-O 3.19Å; S71-G75 VanDerWaalsContact O-CA 3.3Å; S71-G75 WeakPolarHBondContact O-CA 3.14Å; S71-G75 PolarHBondContact O-N 3.23Å; G75-V77 PolarHBondContact O-N 2.81Å
76A96.5Very high93.1Very high35 Ų3539.2 Ų39.229%0.28922%0.215SC..BIsolated β-bridgetrans-58.4136.217500000110.9I70 S71 T74 Q112I70-A76 CarbonylContact C-O 3.58Å; I70-A76 WeakPolarHBondContact CA-O 3.32Å; S71-A76 PolarHBondContact N-O 2.87Å; T74-A76 PolarHBondContact O-N 2.88Å; T74-A76 WeakPolarHBondContact OG1-CB 3.36Å; T74-A76 PolarHBondContact OG1-N 3.47Å; A76-Q112 WeakPolarHBondContact O-CG 3.21Å
77V93.6Very high92.8Very high16 Ų1639.1 Ų39.110%0.09722%0.22CC..BIsolated β-bridgetrans-105.2129-179.3-172.70000109.1F61 I70 G75 L79 L102F61-V77 HydrophobicContact CD2-CG2 3.51Å; F61-V77 HydrophobicContact CE2-CG2 3.64Å; I70-V77 HydrophobicContact CG1-CG1 4.46Å; I70-V77 HydrophobicContact CG1-CG2 4.39Å; G75-V77 PolarHBondContact O-N 2.81Å; V77-L79 HydrophobicContact CG1-CB 3.98Å; V77-L102 HydrophobicContact CG1-CD2 4.21Å
78C89.5Confident92.5Very high13 Ų1341.5 Ų41.59%0.08824%0.24CC..  trans-90.8107.1165-165.30000108.4N69 K83 Q112N69-C78 PolarHBondContact O-N 3.1Å; C78-K83 PolarHBondContact SG-NZ 3.39Å; C78-Q112 HydrophobicContact CB-CB 3.84Å; C78-Q112 HydrophobicContact CB-CG 4.22Å
79L87.4Confident92.1Very high8 Ų844.9 Ų44.94%0.04226%0.264CS..  trans-147.9126.9177.8-175.266.3000109.4V77 V81 L82 I99 L102 V179V77-L79 HydrophobicContact CG1-CB 3.98Å; L79-V81 VanDerWaalsContact C-N 3.28Å; L79-V81 HydrophobicContact CD1-CG2 4.45Å; L79-V81 HydrophobicContact CD2-CG2 3.42Å; L79-V81 VanDerWaalsContact CD2-CG2 3.42Å; L79-V81 HydrophobicContact CG-CG2 3.57Å; L79-V81 PolarHBondContact O-N 3.29Å; L79-L82 HydrophobicContact CB-CD1 4.22Å; L79-L82 HydrophobicContact CB-CG 4.34Å; L79-L82 HydrophobicContact CD2-CD1 4.47Å; L79-L82 HydrophobicContact CD2-CG 4.42Å; L79-L82 WeakPolarHBondContact O-CB 3.47Å; L79-L82 PolarHBondContact O-N 2.86Å; L79-I99 HydrophobicContact CD2-CG1 3.79Å; L79-L102 HydrophobicContact CD1-CD2 4.39Å; L79-V179 HydrophobicContact CD1-CG1 3.66Å
80D86.4Confident91.8Very high79 Ų7944.9 Ų44.942%0.42226%0.264SS..G310 helixtrans-64-31.1-170.4-57.8-26.7000113.2L82 K83 D84 Q85D80-L82 PolarHBondContact O-N 2.81Å; D80-L82 VanDerWaalsContact O-N 3.16Å; D80-K83 CarbonylContact O-C 3.56Å; D80-K83 WeakPolarHBondContact O-CA 3.36Å; D80-K83 PolarHBondContact O-N 2.82Å; D80-D84 PolarHBondContact O-N 2.79Å; D80-Q85 HydrophobicContact CB-CB 4.13Å; D80-Q85 HydrophobicContact CB-CG 3.73Å; D80-Q85 WeakPolarHBondContact O-CB 3.06Å; D80-Q85 PolarHBondContact O-N 2.89Å
81V85.1Confident91.4Very high1 Ų148 Ų481%0.00628%0.283CS..G310 helixtrans-65.9-14.5173.6-710000114.1L79 K83 Q85 W86 L90 I183L79-V81 VanDerWaalsContact C-N 3.28Å; L79-V81 HydrophobicContact CD1-CG2 4.45Å; L79-V81 HydrophobicContact CD2-CG2 3.42Å; L79-V81 VanDerWaalsContact CD2-CG2 3.42Å; L79-V81 HydrophobicContact CG-CG2 3.57Å; L79-V81 PolarHBondContact O-N 3.29Å; V81-K83 VanDerWaalsContact C-N 3.31Å; V81-Q85 HydrophobicContact CG1-CB 4.35Å; V81-W86 WeakPolarHBondContact O-CA 3.03Å; V81-W86 WeakPolarHBondContact O-CB 3.29Å; V81-L90 HydrophobicContact CB-CD1 4.04Å; V81-L90 HydrophobicContact CG1-CD1 3.91Å; V81-I183 HydrophobicContact CG1-CB 4.2Å; V81-I183 HydrophobicContact CG1-CD1 3.34Å; V81-I183 HydrophobicContact CG1-CG1 3.45Å; V81-I183 VanDerWaalsContact CG1-CG1 3.45Å; V81-I183 HydrophobicContact CG1-CG2 3.66Å
82L88.5Confident91Very high25 Ų2548.6 Ų48.613%0.13129%0.285CS..G310 helixtrans-93.44.9172.4-59.2178.4000112P56 P57 V59 L79 D80 V95P56-L82 WeakPolarHBondContact CG-O 3.36Å; P57-L82 HydrophobicContact CG-CD2 4.28Å; V59-L82 HydrophobicContact CB-CD1 3.99Å; V59-L82 HydrophobicContact CG2-CD1 4.19Å; V59-L82 HydrophobicContact CG2-CD2 4.13Å; L79-L82 HydrophobicContact CB-CD1 4.22Å; L79-L82 HydrophobicContact CB-CG 4.34Å; L79-L82 HydrophobicContact CD2-CD1 4.47Å; L79-L82 HydrophobicContact CD2-CG 4.42Å; L79-L82 WeakPolarHBondContact O-CB 3.47Å; L79-L82 PolarHBondContact O-N 2.86Å; D80-L82 PolarHBondContact O-N 2.81Å; D80-L82 VanDerWaalsContact O-N 3.16Å; L82-V95 HydrophobicContact CD2-CG1 3.72Å; L82-V95 HydrophobicContact CD2-CG2 4.18Å
83K89.1Confident90.6Very high110 Ų11051.1 Ų51.148%0.47829%0.291SS..THydrogen-bonded Turntrans-130.7-116-176.9-62.7179.4-179171.80110.3C78 D80 V81 W86C78-K83 PolarHBondContact SG-NZ 3.39Å; D80-K83 CarbonylContact O-C 3.56Å; D80-K83 WeakPolarHBondContact O-CA 3.36Å; D80-K83 PolarHBondContact O-N 2.82Å; V81-K83 VanDerWaalsContact C-N 3.31Å; K83-W86 WeakPolarHBondContact O-CB 3.19Å; K83-W86 PolarHBondContact O-N 3.48Å
84D87Confident90.1Very high114 Ų11445.3 Ų45.361%0.6126%0.256SS*.THydrogen-bonded Turntrans-78.6-21.5-172.960.6-64.8000113.7D80 W86D80-D84 PolarHBondContact O-N 2.79Å; D84-W86 VanDerWaalsContact C-N 3.3Å
85Q87.2Confident89.9Confident100 Ų10041.4 Ų41.447%0.46723%0.232SC..THydrogen-bonded Turntrans-91.611.2175-56.7-60.4-43.700112.7D80 V81 A87D80-Q85 HydrophobicContact CB-CB 4.13Å; D80-Q85 HydrophobicContact CB-CG 3.73Å; D80-Q85 WeakPolarHBondContact O-CB 3.06Å; D80-Q85 PolarHBondContact O-N 2.89Å; V81-Q85 HydrophobicContact CG1-CB 4.35Å; Q85-A87 PolarHBondContact O-N 3.38Å
86W92.5Very high89.7Confident31 Ų3141 Ų4112%0.11723%0.229CC..  trans-69.1128.9172.8175.8-105.7000110.7Y52 P53 P56 P57 V81 K83 D84 L90 V95Y52-W86 HydrophobicContact CD2-CZ2 4.23Å; Y52-W86 AromaticContact CE2-CH2 3.69Å; Y52-W86 HydrophobicContact CE2-CH2 3.69Å; Y52-W86 AromaticContact CE2-CZ2 3.66Å; Y52-W86 HydrophobicContact CE2-CZ2 3.66Å; P53-W86 PolarHBondContact O-NE1 2.74Å; P56-W86 HydrophobicContact CB-CB 3.95Å; P56-W86 HydrophobicContact CB-CD2 3.59Å; P56-W86 HydrophobicContact CB-CE3 3.91Å; P56-W86 HydrophobicContact CB-CG 3.59Å; P56-W86 HydrophobicContact CG-CB 4.21Å; P56-W86 HydrophobicContact CG-CG 4.12Å; P57-W86 HydrophobicContact CG-CH2 4.44Å; P57-W86 HydrophobicContact CG-CZ3 4.35Å; V81-W86 WeakPolarHBondContact O-CA 3.03Å; V81-W86 WeakPolarHBondContact O-CB 3.29Å; K83-W86 WeakPolarHBondContact O-CB 3.19Å; K83-W86 PolarHBondContact O-N 3.48Å; D84-W86 VanDerWaalsContact C-N 3.3Å; W86-L90 HydrophobicContact CE3-CB 4.07Å; W86-L90 HydrophobicContact CE3-CD1 3.97Å; W86-L90 HydrophobicContact CH2-CB 4.1Å; W86-L90 HydrophobicContact CZ3-CB 3.67Å; W86-L90 HydrophobicContact CZ3-CD1 4.35Å; W86-V95 HydrophobicContact CZ3-CG2 3.96Å
87A91.3Very high89.3Confident29 Ų2939.4 Ų39.424%0.2422%0.215CC..  trans-123.1143168.800000109.7Q85 S89 L90Q85-A87 PolarHBondContact O-N 3.38Å; A87-S89 PolarHBondContact O-N 3.45Å; A87-L90 HydrophobicContact CB-CG 4.22Å; A87-L90 VanDerWaalsContact O-CB 3.28Å; A87-L90 WeakPolarHBondContact O-CB 3.32Å; A87-L90 PolarHBondContact O-N 3.45Å
88A91.6Very high89.1Confident50 Ų5038.6 Ų38.641%0.41321%0.21SC..THydrogen-bonded Turntrans-62.6-13179.200000114P53P53-A88 HydrophobicContact CB-CB 4.1Å; P53-A88 HydrophobicContact CG-CB 4.11Å; P53-A88 WeakPolarHBondContact O-CA 3.41Å; P53-A88 WeakPolarHBondContact O-CB 3.31Å
89S89.9Confident89.3Confident72 Ų7238 Ų3850%0.50321%0.206SC..THydrogen-bonded Turntrans-79.1-17.9171.253.50000113.5A87A87-S89 PolarHBondContact O-N 3.45Å
90L89.4Confident89.4Confident4 Ų437.7 Ų37.72%0.02120%0.204CC..  trans-70.3140.9178.8-65.1179.4000110.8V81 W86 A87 T94 I187V81-L90 HydrophobicContact CB-CD1 4.04Å; V81-L90 HydrophobicContact CG1-CD1 3.91Å; W86-L90 HydrophobicContact CE3-CB 4.07Å; W86-L90 HydrophobicContact CE3-CD1 3.97Å; W86-L90 HydrophobicContact CH2-CB 4.1Å; W86-L90 HydrophobicContact CZ3-CB 3.67Å; W86-L90 HydrophobicContact CZ3-CD1 4.35Å; A87-L90 HydrophobicContact CB-CG 4.22Å; A87-L90 VanDerWaalsContact O-CB 3.28Å; A87-L90 WeakPolarHBondContact O-CB 3.32Å; A87-L90 PolarHBondContact O-N 3.45Å; L90-T94 HydrophobicContact CD2-CG2 3.9Å; L90-I187 HydrophobicContact CD2-CD1 4.11Å; L90-I187 HydrophobicContact CD2-CG1 3.57Å; L90-I187 HydrophobicContact CG-CG1 4.34Å
91T89.5Confident89.5Confident66 Ų6634 Ų3441%0.40518%0.184SC..  trans-105.2159178.968.20000110.8R93 T94 V95T91-R93 PolarHBondContact O-N 3.16Å; T91-R93 VanDerWaalsContact O-N 3.15Å; T91-R93 WeakPolarHBondContact OG1-CB 3.42Å; T91-R93 PolarHBondContact OG1-N 3.01Å; T91-T94 WeakPolarHBondContact O-CB 3.48Å; T91-T94 PolarHBondContact O-N 3.15Å; T91-T94 PolarHBondContact OG1-N 3.49Å; T91-T94 VanDerWaalsContact OG1-N 3.16Å; T91-T94 PolarHBondContact OG1-OG1 3.17Å; T91-T94 VanDerWaalsContact OG1-OG1 3.11Å; T91-V95 PolarHBondContact O-N 3.35Å
92L90.8Very high89.8Confident30 Ų3034.3 Ų34.316%0.15719%0.186CC..Hα-helixtrans-53.9-33.2169.2-65.1-178.8000111.9L25 I46 I48 P57 V95 L96L25-L92 HydrophobicContact CD1-CD1 3.5Å; I46-L92 HydrophobicContact CG2-CD2 3.91Å; I48-L92 HydrophobicContact CD1-CD1 4.29Å; I48-L92 HydrophobicContact CD1-CD2 4.12Å; P57-L92 HydrophobicContact CB-CD2 4.05Å; P57-L92 HydrophobicContact CG-CD2 3.84Å; L92-V95 PolarHBondContact O-N 3.42Å; L92-L96 WeakPolarHBondContact O-CB 3.32Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.78Å
93R87.5Confident90Very high73 Ų7333.1 Ų33.128%0.27518%0.18SC..Hα-helixtrans-61.2-47.1174.5179.9-179.7-174.1-80.7-11.3111.3L8 T91 V95 L96 L97L8-R93 HydrophobicContact CD1-CB 4.23Å; L8-R93 VanDerWaalsContact CD1-CD 3.49Å; L8-R93 HydrophobicContact CD1-CG 3.66Å; T91-R93 PolarHBondContact O-N 3.16Å; T91-R93 VanDerWaalsContact O-N 3.15Å; T91-R93 WeakPolarHBondContact OG1-CB 3.42Å; T91-R93 PolarHBondContact OG1-N 3.01Å; R93-V95 VanDerWaalsContact C-N 3.34Å; R93-L96 PolarHBondContact O-N 3.34Å; R93-L97 HydrophobicContact CG-CD1 4.11Å; R93-L97 VanDerWaalsContact NH1-CD1 3.35Å; R93-L97 WeakPolarHBondContact O-CB 3.38Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 2.94Å
94T86.3Confident90Very high4 Ų429.5 Ų29.53%0.02517%0.174CC..Hα-helixtrans-64.5-40.1178.6-52.40000111.7L90 T91 L97 S98 F186L90-T94 HydrophobicContact CD2-CG2 3.9Å; T91-T94 WeakPolarHBondContact O-CB 3.48Å; T91-T94 PolarHBondContact O-N 3.15Å; T91-T94 PolarHBondContact OG1-N 3.49Å; T91-T94 VanDerWaalsContact OG1-N 3.16Å; T91-T94 PolarHBondContact OG1-OG1 3.17Å; T91-T94 VanDerWaalsContact OG1-OG1 3.11Å; T94-L97 PolarHBondContact O-N 2.93Å; T94-S98 WeakPolarHBondContact O-CB 3.29Å; T94-S98 PolarHBondContact O-N 3.27Å; T94-S98 PolarHBondContact O-OG 2.88Å; T94-F186 HydrophobicContact CG2-CB 3.57Å; T94-F186 HydrophobicContact CG2-CD2 3.58Å; T94-F186 HydrophobicContact CG2-CG 3.74Å
95V91.6Very high90Very high2 Ų226.6 Ų26.61%0.01216%0.162CC..Hα-helixtrans-59.1-51173.8170.20000110.8V59 L82 W86 T91 L92 R93 L97 S98 I99V59-V95 HydrophobicContact CG2-CG1 4.04Å; L82-V95 HydrophobicContact CD2-CG1 3.72Å; L82-V95 HydrophobicContact CD2-CG2 4.18Å; W86-V95 HydrophobicContact CZ3-CG2 3.96Å; T91-V95 PolarHBondContact O-N 3.35Å; L92-V95 PolarHBondContact O-N 3.42Å; R93-V95 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 3.15Å; V95-S98 WeakPolarHBondContact O-CB 3.45Å; V95-S98 PolarHBondContact O-N 3.05Å; V95-S98 VanDerWaalsContact O-N 3.16Å; V95-I99 HydrophobicContact CG1-CD1 4.17Å; V95-I99 WeakPolarHBondContact O-CG1 3.21Å; V95-I99 PolarHBondContact O-N 3.06Å
96L92.6Very high90.2Very high0 Ų023.4 Ų23.40%015%0.15CC..Hα-helixtrans-67.4-34.6-178.4-67.4175.6000112.8I13 V15 I29 M44 I46 L92 R93 I99 Q100I13-L96 HydrophobicContact CD1-CB 4.02Å; I13-L96 HydrophobicContact CG2-CB 3.83Å; I13-L96 HydrophobicContact CG2-CD1 3.52Å; I13-L96 HydrophobicContact CG2-CG 4.32Å; V15-L96 HydrophobicContact CG2-CD1 3.51Å; I29-L96 HydrophobicContact CG2-CB 3.98Å; I29-L96 HydrophobicContact CG2-CD2 4.14Å; M44-L96 HydrophobicContact CE-CD2 3.4Å; M44-L96 VanDerWaalsContact CE-CD2 3.4Å; M44-L96 HydrophobicContact SD-CD2 4.03Å; I46-L96 HydrophobicContact CD1-CD1 4.25Å; I46-L96 HydrophobicContact CD1-CD2 4.21Å; L92-L96 WeakPolarHBondContact O-CB 3.32Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.78Å; R93-L96 PolarHBondContact O-N 3.34Å; L96-I99 HydrophobicContact CD2-CD1 4.48Å; L96-I99 PolarHBondContact O-N 3.48Å; L96-Q100 WeakPolarHBondContact O-CB 3.4Å; L96-Q100 PolarHBondContact O-N 3.47Å
97L88.1Confident90.1Very high0 Ų026.2 Ų26.20%016%0.164CC..Hα-helixtrans-63-43.4170.5-78.2171.1000111.7T11 I13 R93 T94 V95 I99 Q100 V101 I174 V182 F186T11-L97 HydrophobicContact CG2-CD2 4.09Å; I13-L97 HydrophobicContact CD1-CB 4.28Å; I13-L97 HydrophobicContact CD1-CD2 3.45Å; I13-L97 VanDerWaalsContact CD1-CD2 3.45Å; I13-L97 HydrophobicContact CD1-CG 3.45Å; I13-L97 VanDerWaalsContact CD1-CG 3.45Å; R93-L97 HydrophobicContact CG-CD1 4.11Å; R93-L97 VanDerWaalsContact NH1-CD1 3.35Å; R93-L97 WeakPolarHBondContact O-CB 3.38Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 2.94Å; T94-L97 PolarHBondContact O-N 2.93Å; V95-L97 PolarHBondContact O-N 3.15Å; L97-I99 VanDerWaalsContact C-N 3.3Å; L97-I99 PolarHBondContact O-N 3.42Å; L97-Q100 WeakPolarHBondContact O-CB 3.49Å; L97-Q100 PolarHBondContact O-N 3.25Å; L97-Q100 VanDerWaalsContact O-N 3.15Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.17Å; L97-V101 PolarHBondContact O-N 3Å; L97-I174 HydrophobicContact CD2-CD1 4.17Å; L97-V182 HydrophobicContact CB-CG1 4.49Å; L97-F186 HydrophobicContact CD1-CE2 3.79Å; L97-F186 HydrophobicContact CD1-CZ 3.75Å
98S89.6Confident90.1Very high0 Ų026 Ų260%016%0.161CC..Hα-helixtrans-62.6-39.3178.5-56.70000111.2T94 V95 V101 L102T94-S98 WeakPolarHBondContact O-CB 3.29Å; T94-S98 PolarHBondContact O-N 3.27Å; T94-S98 PolarHBondContact O-OG 2.88Å; V95-S98 WeakPolarHBondContact O-CB 3.45Å; V95-S98 PolarHBondContact O-N 3.05Å; V95-S98 VanDerWaalsContact O-N 3.16Å; S98-V101 PolarHBondContact O-N 3.24Å; S98-L102 WeakPolarHBondContact O-CB 3.37Å; S98-L102 PolarHBondContact O-N 3.3Å
99I93.8Very high90.1Very high0 Ų030.1 Ų30.10%018%0.176CC..Hα-helixtrans-66-43.2173-63.5171.1000111I29 M44 V59 F61 L79 V95 L96 L97 V101 L102 L103I29-I99 HydrophobicContact CD1-CB 4.29Å; I29-I99 HydrophobicContact CD1-CG2 3.61Å; M44-I99 HydrophobicContact SD-CD1 3.78Å; M44-I99 HydrophobicContact SD-CG2 4.09Å; V59-I99 HydrophobicContact CB-CD1 4.48Å; V59-I99 HydrophobicContact CG1-CD1 3.82Å; F61-I99 HydrophobicContact CE2-CG2 3.72Å; F61-I99 HydrophobicContact CZ-CG2 3.61Å; L79-I99 HydrophobicContact CD2-CG1 3.79Å; V95-I99 HydrophobicContact CG1-CD1 4.17Å; V95-I99 WeakPolarHBondContact O-CG1 3.21Å; V95-I99 PolarHBondContact O-N 3.06Å; L96-I99 HydrophobicContact CD2-CD1 4.48Å; L96-I99 PolarHBondContact O-N 3.48Å; L97-I99 VanDerWaalsContact C-N 3.3Å; L97-I99 PolarHBondContact O-N 3.42Å; I99-V101 VanDerWaalsContact C-N 3.26Å; I99-V101 PolarHBondContact O-N 3.06Å; I99-L102 WeakPolarHBondContact O-CB 3.38Å; I99-L102 PolarHBondContact O-N 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 2.94Å
100Q90.1Very high90.1Very high1 Ų131.1 Ų31.11%0.00518%0.175CC..Hα-helixtrans-59.7-38177.2-176.2174.453.100111.9T11 I29 R30 P32 L96 L97 Y167T11-Q100 PolarHBondContact O-NE2 3.47Å; T11-Q100 PolarHBondContact O-OE1 3.22Å; I29-Q100 HydrophobicContact CD1-CB 4.39Å; R30-Q100 PolarHBondContact O-NE2 3.15Å; P32-Q100 WeakPolarHBondContact CG-O 3.47Å; L96-Q100 WeakPolarHBondContact O-CB 3.4Å; L96-Q100 PolarHBondContact O-N 3.47Å; L97-Q100 WeakPolarHBondContact O-CB 3.49Å; L97-Q100 PolarHBondContact O-N 3.25Å; L97-Q100 VanDerWaalsContact O-N 3.15Å; Q100-Y167 PolarHBondContact NE2-OH 3.26Å
101V88.2Confident90.3Very high1 Ų133.2 Ų33.21%0.00619%0.189CC..Hα-helixtrans-69.2-43.1174.8174.60000111.3L97 S98 I99 L103 G104 C105 I174 V179 V182L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.17Å; L97-V101 PolarHBondContact O-N 3Å; S98-V101 PolarHBondContact O-N 3.24Å; I99-V101 VanDerWaalsContact C-N 3.26Å; I99-V101 PolarHBondContact O-N 3.06Å; V101-L103 PolarHBondContact O-N 3.13Å; V101-G104 WeakPolarHBondContact O-CA 3.37Å; V101-G104 PolarHBondContact O-N 3.16Å; V101-C105 PolarHBondContact O-N 3.16Å; V101-I174 HydrophobicContact CG2-CB 4.49Å; V101-I174 HydrophobicContact CG2-CG2 3.28Å; V101-V179 HydrophobicContact CB-CG2 4.27Å; V101-V179 HydrophobicContact CG1-CG2 3.8Å; V101-V182 HydrophobicContact CG2-CG2 4.09Å
102L91Very high90.7Very high8 Ų833.7 Ų33.74%0.04219%0.187CC..Hα-helixtrans-55.1-38.5176.3-174.967.8000111.6H67 N69 V77 L79 S98 I99 G104 C105 V179H67-L102 PolarHBondContact NE2-O 3Å; N69-L102 HydrophobicContact CB-CD1 4.11Å; N69-L102 HydrophobicContact CB-CD2 3.89Å; N69-L102 HydrophobicContact CB-CG 4.26Å; V77-L102 HydrophobicContact CG1-CD2 4.21Å; L79-L102 HydrophobicContact CD1-CD2 4.39Å; S98-L102 WeakPolarHBondContact O-CB 3.37Å; S98-L102 PolarHBondContact O-N 3.3Å; I99-L102 WeakPolarHBondContact O-CB 3.38Å; I99-L102 PolarHBondContact O-N 3.3Å; L102-G104 VanDerWaalsContact C-N 3.27Å; L102-G104 PolarHBondContact O-N 3.32Å; L102-C105 CarbonylContact O-C 3.1Å; L102-C105 PolarHBondContact O-N 3.15Å; L102-V179 HydrophobicContact CB-CG2 4.17Å; L102-V179 HydrophobicContact CD1-CG2 4.28Å
103L92.9Very high91Very high1 Ų133.1 Ų33.11%0.00518%0.184CC..Hα-helixtrans-62.8-30.3175.6-63.8-169.6000113.7I29 P32 Y37 Y42 F61 I65 I70 I99 V101I29-L103 HydrophobicContact CD1-CD1 3.91Å; P32-L103 HydrophobicContact CG-CB 3.97Å; Y37-L103 HydrophobicContact CD2-CB 3.87Å; Y37-L103 WeakPolarHBondContact CD2-O 3.35Å; Y37-L103 HydrophobicContact CE2-CB 4.33Å; Y37-L103 WeakPolarHBondContact CE2-O 3.35Å; Y42-L103 HydrophobicContact CD2-CD1 4.24Å; Y42-L103 HydrophobicContact CE2-CD1 4.49Å; F61-L103 HydrophobicContact CZ-CD2 4.36Å; I65-L103 HydrophobicContact CD1-CD1 4.2Å; I65-L103 HydrophobicContact CD1-CD2 3.5Å; I65-L103 HydrophobicContact CD1-CG 4.5Å; I70-L103 HydrophobicContact CD1-CD2 3.62Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 2.94Å; V101-L103 PolarHBondContact O-N 3.13Å
104G88.2Confident91.4Very high33 Ų3333 Ų3334%0.3420%0.198SC..Hα-helixtrans-86.7-28.4176.300000112.9V101 L102 P106V101-G104 WeakPolarHBondContact O-CA 3.37Å; V101-G104 PolarHBondContact O-N 3.16Å; L102-G104 VanDerWaalsContact C-N 3.27Å; L102-G104 PolarHBondContact O-N 3.32Å; G104-P106 VanDerWaalsContact C-CD 3.48Å; G104-P106 WeakPolarHBondContact O-CD 3.49Å
105C87.8Confident92Very high54 Ų5436.5 Ų36.537%0.36522%0.22SC..SBendtrans-128.170.2-174.6-580000110.3V101 L102 T175V101-C105 PolarHBondContact O-N 3.16Å; L102-C105 CarbonylContact O-C 3.1Å; L102-C105 PolarHBondContact O-N 3.15Å; C105-T175 PolarHBondContact SG-O 3.16Å
106P90.9Very high92.3Very high33 Ų3336.4 Ų36.421%0.21422%0.219CC..  trans-61.1148.517624-34.7000112P68 G104 P108 M120P68-P106 HydrophobicContact CG-CB 3.52Å; G104-P106 VanDerWaalsContact C-CD 3.48Å; G104-P106 WeakPolarHBondContact O-CD 3.49Å; P106-P108 WeakPolarHBondContact O-CD 3.38Å; P106-M120 HydrophobicContact CB-CE 4.05Å; P106-M120 HydrophobicContact CB-SD 3.99Å; P106-M120 HydrophobicContact CG-CE 3.37Å; P106-M120 HydrophobicContact CG-SD 3.84Å
107E90.5Very high92.6Very high90 Ų9036.6 Ų36.642%0.42122%0.221SC..  trans-112.888.8173.8-179.351.8-99.600109.9N69 N109 D110N69-E107 PolarHBondContact ND2-O 2.87Å; N69-E107 PolarHBondContact OD1-N 3.37Å; N69-E107 PolarHBondContact OD1-O 3.02Å; E107-N109 VanDerWaalsContact C-N 3.25Å; E107-N109 PolarHBondContact O-N 3.22Å; E107-N109 VanDerWaalsContact OE1-CB 3.32Å; E107-N109 WeakPolarHBondContact OE1-CB 3.23Å; E107-N109 PolarHBondContact OE1-N 2.91Å; E107-N109 VanDerWaalsContact OE1-N 3.15Å; E107-N109 PolarHBondContact OE1-ND2 2.59Å; E107-D110 HydrophobicContact CG-CB 4.5Å
108P91.4Very high93Very high25 Ų2543.2 Ų43.216%0.16225%0.246CC..THydrogen-bonded Turntrans-74.4-12.4-17531.6-36.5000113.7P106 A117 M120 I121P106-P108 WeakPolarHBondContact O-CD 3.38Å; P108-A117 HydrophobicContact CB-CB 4.48Å; P108-M120 HydrophobicContact CB-SD 4.16Å; P108-M120 HydrophobicContact CG-CE 4.23Å; P108-M120 HydrophobicContact CG-SD 4.39Å; P108-I121 HydrophobicContact CB-CD1 4.12Å; P108-I121 HydrophobicContact CB-CG1 4.06Å; P108-I121 HydrophobicContact CG-CG1 4.45Å
109N91.5Very high93.5Very high136 Ų13644.8 Ų44.873%0.72725%0.253SS*.THydrogen-bonded Turntrans-80.2-18.6179.4-56.4-64000113.2E107E107-N109 VanDerWaalsContact C-N 3.25Å; E107-N109 PolarHBondContact O-N 3.22Å; E107-N109 VanDerWaalsContact OE1-CB 3.32Å; E107-N109 WeakPolarHBondContact OE1-CB 3.23Å; E107-N109 PolarHBondContact OE1-N 2.91Å; E107-N109 VanDerWaalsContact OE1-N 3.15Å; E107-N109 PolarHBondContact OE1-ND2 2.59Å
110D90.3Very high93.6Very high93 Ų9346.9 Ų46.950%0.49726%0.263SS..SBendtrans-126.571.5171-173.435.2000111.1N69 E107N69-D110 PolarHBondContact ND2-O 3.03Å; E107-D110 HydrophobicContact CG-CB 4.5Å
111P94.3Very high93.9Very high48 Ų4851.7 Ų51.731%0.31229%0.288SS..  trans-83.7144-169.234.4-36.2000113P68 A117P68-P111 CarbonylContact O-C 3.54Å; P111-A117 HydrophobicContact CB-CB 3.36Å; P111-A117 HydrophobicContact CG-CB 3.87Å
112Q96.2Very high94.4Very high76 Ų7657.7 Ų57.736%0.35532%0.316SS..SBendtrans-81.1-26.2165-170.750.776.900111.9P68 N69 A76 C78P68-Q112 PolarHBondContact O-N 3.48Å; N69-Q112 WeakPolarHBondContact O-CB 3.26Å; A76-Q112 WeakPolarHBondContact O-CG 3.21Å; C78-Q112 HydrophobicContact CB-CB 3.84Å; C78-Q112 HydrophobicContact CB-CG 4.22Å
113D97.6Very high94.7Very high18 Ų1862.2 Ų62.210%0.09634%0.337CS..  trans-128.899.7177.2-164.8-42.5000110.2P68 S72 V115 V116 A117P68-D113 PolarHBondContact O-N 3.47Å; S72-D113 WeakPolarHBondContact CB-OD2 3.43Å; S72-D113 PolarHBondContact N-OD2 3.46Å; S72-D113 PolarHBondContact OG-OD2 3.19Å; D113-V115 VanDerWaalsContact C-N 3.25Å; D113-V115 PolarHBondContact O-N 3.43Å; D113-V115 PolarHBondContact OD1-N 3.4Å; D113-V115 VanDerWaalsContact OD1-N 3.16Å; D113-V116 HydrophobicContact CB-CB 4.16Å; D113-V116 HydrophobicContact CB-CG2 3.89Å; D113-V116 VanDerWaalsContact CG-CG2 3.45Å; D113-V116 PolarHBondContact O-N 2.92Å; D113-V116 PolarHBondContact OD1-N 2.85Å; D113-A117 WeakPolarHBondContact O-CB 3.46Å; D113-A117 PolarHBondContact O-N 2.6Å
114A97.3Very high94.9Very high70 Ų7065.7 Ų65.758%0.57936%0.359SS*.Hα-helixtrans-64.2-27.5-176.100000113.4R118A114-R118 VanDerWaalsContact O-CB 3.29Å; A114-R118 WeakPolarHBondContact O-CB 3.5Å; A114-R118 PolarHBondContact O-N 3.28Å
115V97.7Very high95.2Very high78 Ų7871.6 Ų71.647%0.47338%0.378SS..Hα-helixtrans-70.6-46.5178.51730000109.8W66 D113 R118 Q119W66-V115 HydrophobicContact CH2-CG1 4.28Å; W66-V115 HydrophobicContact CZ2-CG1 4.48Å; D113-V115 VanDerWaalsContact C-N 3.25Å; D113-V115 PolarHBondContact O-N 3.43Å; D113-V115 PolarHBondContact OD1-N 3.4Å; D113-V115 VanDerWaalsContact OD1-N 3.16Å; V115-R118 PolarHBondContact O-N 3.08Å; V115-Q119 PolarHBondContact O-N 2.88Å; V115-Q119 VanDerWaalsContact O-N 3.07Å
116V98.3Very high95.7Very high0 Ų072 Ų720%038%0.376CS..Hα-helixtrans-64.2-43.9177.7-176.80000110.7W66 H67 D113 Q119 M120 F127W66-V116 HydrophobicContact CD2-CG1 4.33Å; W66-V116 HydrophobicContact CD2-CG2 3.7Å; W66-V116 HydrophobicContact CE3-CG2 3.84Å; W66-V116 HydrophobicContact CG-CG1 4.18Å; W66-V116 HydrophobicContact CG-CG2 4.32Å; W66-V116 HydrophobicContact CH2-CG2 3.92Å; W66-V116 HydrophobicContact CZ2-CB 4.5Å; W66-V116 HydrophobicContact CZ2-CG2 3.79Å; W66-V116 HydrophobicContact CZ3-CG2 3.94Å; H67-V116 VanDerWaalsContact C-CG1 3.48Å; D113-V116 HydrophobicContact CB-CB 4.16Å; D113-V116 HydrophobicContact CB-CG2 3.89Å; D113-V116 VanDerWaalsContact CG-CG2 3.45Å; D113-V116 PolarHBondContact O-N 2.92Å; D113-V116 PolarHBondContact OD1-N 2.85Å; V116-Q119 PolarHBondContact O-N 3.26Å; V116-M120 WeakPolarHBondContact O-CB 3.14Å; V116-M120 PolarHBondContact O-N 2.93Å; V116-F127 HydrophobicContact CG1-CD2 4.12Å; V116-F127 HydrophobicContact CG1-CE2 3.74Å
117A98Very high96Very high4 Ų471 Ų713%0.03337%0.368CS..Hα-helixtrans-62.5-43.5178.400000112.5P68 P108 P111 D113 Q119 M120 I121P68-A117 HydrophobicContact CB-CB 3.83Å; P108-A117 HydrophobicContact CB-CB 4.48Å; P111-A117 HydrophobicContact CB-CB 3.36Å; P111-A117 HydrophobicContact CG-CB 3.87Å; D113-A117 WeakPolarHBondContact O-CB 3.46Å; D113-A117 PolarHBondContact O-N 2.6Å; A117-Q119 PolarHBondContact O-N 3.37Å; A117-M120 WeakPolarHBondContact O-CB 3.22Å; A117-M120 PolarHBondContact O-N 3.5Å; A117-I121 WeakPolarHBondContact O-CG1 3.49Å; A117-I121 PolarHBondContact O-N 2.94Å
118R98.2Very high96.2Very high139 Ų13972.3 Ų72.353%0.52537%0.37SS..Hα-helixtrans-59.6-47.2174.7-173.2177.867.6-145.6-1.7111.5A114 V115 M120 I121 E122A114-R118 VanDerWaalsContact O-CB 3.29Å; A114-R118 WeakPolarHBondContact O-CB 3.5Å; A114-R118 PolarHBondContact O-N 3.28Å; V115-R118 PolarHBondContact O-N 3.08Å; R118-M120 VanDerWaalsContact C-N 3.29Å; R118-M120 PolarHBondContact O-N 3.02Å; R118-I121 PolarHBondContact O-N 2.86Å; R118-E122 WeakPolarHBondContact CD-OE1 3.23Å; R118-E122 HydrophobicContact CG-CG 4.06Å; R118-E122 WeakPolarHBondContact CG-OE1 3.17Å; R118-E122 WeakPolarHBondContact CG-OE2 3.5Å; R118-E122 WeakPolarHBondContact O-CB 3.43Å; R118-E122 WeakPolarHBondContact O-CG 3.45Å; R118-E122 PolarHBondContact O-N 2.84Å
119Q98.1Very high96.4Very high32 Ų3277 Ų7715%0.1539%0.389CS..Hα-helixtrans-61.2-38.8176.6-170.7-172.859.300111.8V115 V116 A117 I121 E123 L126 F127V115-Q119 PolarHBondContact O-N 2.88Å; V115-Q119 VanDerWaalsContact O-N 3.07Å; V116-Q119 PolarHBondContact O-N 3.26Å; A117-Q119 PolarHBondContact O-N 3.37Å; Q119-I121 VanDerWaalsContact C-N 3.33Å; Q119-I121 PolarHBondContact O-N 3.24Å; Q119-E123 HydrophobicContact CG-CB 4.48Å; Q119-E123 CarbonylContact O-C 3.58Å; Q119-E123 WeakPolarHBondContact O-CA 3.44Å; Q119-E123 PolarHBondContact O-N 3.13Å; Q119-E123 VanDerWaalsContact O-O 3.13Å; Q119-L126 HydrophobicContact CG-CD2 4.38Å; Q119-L126 HydrophobicContact CG-CG 4.48Å; Q119-F127 HydrophobicContact CG-CB 4.23Å
120M97.1Very high96.6Very high44 Ų4471.9 Ų71.922%0.21736%0.363CS..Hα-helixtrans-64.3-37.7177.7-176.1-178.7162.900112.5P68 P106 P108 V116 A117 R118 P124 F127P68-M120 HydrophobicContact CG-SD 3.82Å; P106-M120 HydrophobicContact CB-CE 4.05Å; P106-M120 HydrophobicContact CB-SD 3.99Å; P106-M120 HydrophobicContact CG-CE 3.37Å; P106-M120 HydrophobicContact CG-SD 3.84Å; P108-M120 HydrophobicContact CB-SD 4.16Å; P108-M120 HydrophobicContact CG-CE 4.23Å; P108-M120 HydrophobicContact CG-SD 4.39Å; V116-M120 WeakPolarHBondContact O-CB 3.14Å; V116-M120 PolarHBondContact O-N 2.93Å; A117-M120 WeakPolarHBondContact O-CB 3.22Å; A117-M120 PolarHBondContact O-N 3.5Å; R118-M120 VanDerWaalsContact C-N 3.29Å; R118-M120 PolarHBondContact O-N 3.02Å; M120-P124 WeakPolarHBondContact O-CG 3.43Å; M120-F127 HydrophobicContact CB-CB 4.32Å; M120-F127 HydrophobicContact CB-CD1 4.2Å; M120-F127 HydrophobicContact CB-CD2 3.87Å; M120-F127 HydrophobicContact CB-CE2 4.26Å; M120-F127 HydrophobicContact CB-CG 3.84Å; M120-F127 HydrophobicContact CG-CD1 3.86Å; M120-F127 HydrophobicContact CG-CD2 4.36Å; M120-F127 HydrophobicContact CG-CE1 4.02Å; M120-F127 HydrophobicContact CG-CG 4.04Å; M120-F127 HydrophobicContact CG-CZ 4.34Å; M120-F127 HydrophobicContact SD-CE1 4.13Å; M120-F127 HydrophobicContact SD-CZ 4.15Å
121I97.3Very high96.9Very high102 Ų10267.4 Ų67.452%0.52334%0.339SS..Hα-helixtrans-77-48.4179.4-66.3165.4000111.1P108 A117 R118 Q119P108-I121 HydrophobicContact CB-CD1 4.12Å; P108-I121 HydrophobicContact CB-CG1 4.06Å; P108-I121 HydrophobicContact CG-CG1 4.45Å; A117-I121 WeakPolarHBondContact O-CG1 3.49Å; A117-I121 PolarHBondContact O-N 2.94Å; R118-I121 PolarHBondContact O-N 2.86Å; Q119-I121 VanDerWaalsContact C-N 3.33Å; Q119-I121 PolarHBondContact O-N 3.24Å
122E97.9Very high96.9Very high127 Ų12771.3 Ų71.359%0.59335%0.348SS*.Hα-helixtrans-81.8-40.4-172.5-66.3177.4-179.500112.7R118R118-E122 WeakPolarHBondContact CD-OE1 3.23Å; R118-E122 HydrophobicContact CG-CG 4.06Å; R118-E122 WeakPolarHBondContact CG-OE1 3.17Å; R118-E122 WeakPolarHBondContact CG-OE2 3.5Å; R118-E122 WeakPolarHBondContact O-CB 3.43Å; R118-E122 WeakPolarHBondContact O-CG 3.45Å; R118-E122 PolarHBondContact O-N 2.84Å
123E97.5Very high96.8Very high104 Ų10473.9 Ų73.949%0.48636%0.358SS..  trans-131.767.9-174.9-60-178.1-94.500112Q119 Q125 L126 F127Q119-E123 HydrophobicContact CG-CB 4.48Å; Q119-E123 CarbonylContact O-C 3.58Å; Q119-E123 WeakPolarHBondContact O-CA 3.44Å; Q119-E123 PolarHBondContact O-N 3.13Å; Q119-E123 VanDerWaalsContact O-O 3.13Å; E123-Q125 VanDerWaalsContact C-N 3.26Å; E123-Q125 PolarHBondContact O-N 3.42Å; E123-Q125 VanDerWaalsContact O-N 3.12Å; E123-L126 HydrophobicContact CB-CB 3.83Å; E123-L126 HydrophobicContact CB-CD2 4.31Å; E123-L126 PolarHBondContact O-N 3.46Å; E123-L126 WeakPolarHBondContact OE2-CD2 3.48Å; E123-F127 PolarHBondContact O-N 3.19Å
124P95.8Very high96.7Very high73 Ų7374.9 Ų74.947%0.47436%0.36SS..Hα-helixtrans-58.8-33.2-171.6-23.230.9000114.5M120 R128M120-P124 WeakPolarHBondContact O-CG 3.43Å; P124-R128 WeakPolarHBondContact O-CG 3.44Å; P124-R128 PolarHBondContact O-N 2.87Å; P124-R128 VanDerWaalsContact O-N 3.07Å
125Q95.8Very high96.4Very high158 Ų15872 Ų7274%0.73834%0.337SS*.Hα-helixtrans-68.3-47.4176.9-68.3-178.7-2.100111E123 F127 R128 E129E123-Q125 VanDerWaalsContact C-N 3.26Å; E123-Q125 PolarHBondContact O-N 3.42Å; E123-Q125 VanDerWaalsContact O-N 3.12Å; Q125-F127 VanDerWaalsContact C-N 3.3Å; Q125-F127 PolarHBondContact O-N 3.48Å; Q125-R128 PolarHBondContact O-N 2.93Å; Q125-R128 VanDerWaalsContact O-N 3.14Å; Q125-E129 WeakPolarHBondContact O-CG 3.09Å; Q125-E129 PolarHBondContact O-N 3.32Å
126L97.2Very high96Very high63 Ų6376.3 Ų76.333%0.3335%0.349SS..Hα-helixtrans-62-39.1176.3-177.863.3000111.4Q119 E123 E129 T130Q119-L126 HydrophobicContact CG-CD2 4.38Å; Q119-L126 HydrophobicContact CG-CG 4.48Å; E123-L126 HydrophobicContact CB-CB 3.83Å; E123-L126 HydrophobicContact CB-CD2 4.31Å; E123-L126 PolarHBondContact O-N 3.46Å; E123-L126 WeakPolarHBondContact OE2-CD2 3.48Å; L126-E129 PolarHBondContact O-N 3.07Å; L126-T130 VanDerWaalsContact O-CB 3.32Å; L126-T130 WeakPolarHBondContact O-CB 3.26Å; L126-T130 PolarHBondContact O-N 2.97Å; L126-T130 PolarHBondContact O-OG1 2.99Å
127F97.4Very high95.6Very high10 Ų1079.8 Ų79.84%0.04437%0.371CS..Hα-helixtrans-57.4-50172.2165.4-100.2000111.5W66 V116 Q119 M120 E123 Q125 E129 T130 A131W66-F127 AromaticContact CD1-CD2 3.86Å; W66-F127 AromaticContact CD1-CE2 3.97Å; V116-F127 HydrophobicContact CG1-CD2 4.12Å; V116-F127 HydrophobicContact CG1-CE2 3.74Å; Q119-F127 HydrophobicContact CG-CB 4.23Å; M120-F127 HydrophobicContact CB-CB 4.32Å; M120-F127 HydrophobicContact CB-CD1 4.2Å; M120-F127 HydrophobicContact CB-CD2 3.87Å; M120-F127 HydrophobicContact CB-CE2 4.26Å; M120-F127 HydrophobicContact CB-CG 3.84Å; M120-F127 HydrophobicContact CG-CD1 3.86Å; M120-F127 HydrophobicContact CG-CD2 4.36Å; M120-F127 HydrophobicContact CG-CE1 4.02Å; M120-F127 HydrophobicContact CG-CG 4.04Å; M120-F127 HydrophobicContact CG-CZ 4.34Å; M120-F127 HydrophobicContact SD-CE1 4.13Å; M120-F127 HydrophobicContact SD-CZ 4.15Å; E123-F127 PolarHBondContact O-N 3.19Å; Q125-F127 VanDerWaalsContact C-N 3.3Å; Q125-F127 PolarHBondContact O-N 3.48Å; F127-E129 VanDerWaalsContact C-N 3.31Å; F127-E129 PolarHBondContact O-N 3.01Å; F127-T130 PolarHBondContact O-N 3.33Å; F127-A131 HydrophobicContact CE2-CB 4.39Å; F127-A131 HydrophobicContact CZ-CB 4.34Å; F127-A131 VanDerWaalsContact O-CB 3.26Å; F127-A131 WeakPolarHBondContact O-CB 3.37Å; F127-A131 PolarHBondContact O-N 3.23Å
128R95.6Very high95.4Very high119 Ų11983.8 Ų83.845%0.44939%0.385SS..Hα-helixtrans-61-40179.5-74.2-174.8113.594.41.1112P124 Q125 R132P124-R128 WeakPolarHBondContact O-CG 3.44Å; P124-R128 PolarHBondContact O-N 2.87Å; P124-R128 VanDerWaalsContact O-N 3.07Å; Q125-R128 PolarHBondContact O-N 2.93Å; Q125-R128 VanDerWaalsContact O-N 3.14Å; R128-R132 WeakPolarHBondContact O-CB 3.47Å; R128-R132 WeakPolarHBondContact O-CG 3.47Å; R128-R132 PolarHBondContact O-N 3.46Å
129E95.1Very high95.1Very high122 Ų12277.8 Ų77.857%0.5737%0.365SS*.Hα-helixtrans-66.8-45.9176.8-71178.7-178.200112Q125 L126 F127 R132 F133Q125-E129 WeakPolarHBondContact O-CG 3.09Å; Q125-E129 PolarHBondContact O-N 3.32Å; L126-E129 PolarHBondContact O-N 3.07Å; F127-E129 VanDerWaalsContact C-N 3.31Å; F127-E129 PolarHBondContact O-N 3.01Å; E129-R132 PolarHBondContact O-N 2.6Å; E129-F133 WeakPolarHBondContact O-CB 3.32Å; E129-F133 PolarHBondContact O-N 3.06Å
130T95.7Very high94.4Very high29 Ų2981.3 Ų81.318%0.17838%0.38CS..Hα-helixtrans-62.6-45.7177.8-55.40000110.8W66 L126 F127 R132 F133 W134W66-T130 HydrophobicContact CD2-CG2 3.97Å; W66-T130 HydrophobicContact CG-CG2 3.92Å; W66-T130 HydrophobicContact CZ2-CG2 4.43Å; L126-T130 VanDerWaalsContact O-CB 3.32Å; L126-T130 WeakPolarHBondContact O-CB 3.26Å; L126-T130 PolarHBondContact O-N 2.97Å; L126-T130 PolarHBondContact O-OG1 2.99Å; F127-T130 PolarHBondContact O-N 3.33Å; T130-R132 PolarHBondContact O-N 2.87Å; T130-F133 WeakPolarHBondContact O-CB 3.34Å; T130-F133 PolarHBondContact O-N 3.25Å; T130-W134 PolarHBondContact O-N 2.99Å
131A96.3Very high93Very high0 Ų081.9 Ų81.90%039%0.388CS..Hα-helixtrans-63.3-41.7177.600000112.4P36 Y37 W66 F127 W134 A135P36-A131 HydrophobicContact CB-CB 3.64Å; P36-A131 HydrophobicContact CG-CB 3.8Å; Y37-A131 HydrophobicContact CE1-CB 4.07Å; W66-A131 HydrophobicContact CB-CB 4.37Å; F127-A131 HydrophobicContact CE2-CB 4.39Å; F127-A131 HydrophobicContact CZ-CB 4.34Å; F127-A131 VanDerWaalsContact O-CB 3.26Å; F127-A131 WeakPolarHBondContact O-CB 3.37Å; F127-A131 PolarHBondContact O-N 3.23Å; A131-W134 PolarHBondContact O-N 3.36Å; A131-A135 WeakPolarHBondContact O-CB 3.19Å; A131-A135 PolarHBondContact O-N 3.2Å
132R94Very high91.3Very high129 Ų12980.6 Ų80.649%0.48738%0.382SS..Hα-helixtrans-64.3-39.7173.1-76172.4-176.4169.30.6112.3P36 R128 E129 T130 A135 K136P36-R132 HydrophobicContact CB-CG 3.84Å; R128-R132 WeakPolarHBondContact O-CB 3.47Å; R128-R132 WeakPolarHBondContact O-CG 3.47Å; R128-R132 PolarHBondContact O-N 3.46Å; E129-R132 PolarHBondContact O-N 2.6Å; T130-R132 PolarHBondContact O-N 2.87Å; R132-A135 PolarHBondContact O-N 2.99Å; R132-K136 WeakPolarHBondContact O-CG 3.34Å; R132-K136 PolarHBondContact O-N 2.8Å
133F93.7Very high88.9Confident131 Ų13177.3 Ų77.358%0.57537%0.368SS*.Hα-helixtrans-60.7-50.5175.6175.9-100.7000110.3E129 T130 A135 K136 T137E129-F133 WeakPolarHBondContact O-CB 3.32Å; E129-F133 PolarHBondContact O-N 3.06Å; T130-F133 WeakPolarHBondContact O-CB 3.34Å; T130-F133 PolarHBondContact O-N 3.25Å; F133-A135 PolarHBondContact O-N 3.43Å; F133-K136 PolarHBondContact O-N 3.47Å; F133-T137 WeakPolarHBondContact O-CB 3.23Å; F133-T137 PolarHBondContact O-N 2.87Å; F133-T137 PolarHBondContact O-OG1 2.94Å
134W96.2Very high86.3Confident39 Ų3978 Ų7815%0.14838%0.375CS..Hα-helixtrans-59.5-42.9176.3-82.858.4000112.8R64 W66 T130 A131 K136 T137 Y138R64-W134 HydrophobicContact CB-CE3 4.04Å; R64-W134 HydrophobicContact CB-CZ3 3.84Å; W66-W134 HydrophobicContact CB-CB 4.05Å; W66-W134 HydrophobicContact CB-CD2 3.85Å; W66-W134 HydrophobicContact CB-CE3 4.16Å; W66-W134 HydrophobicContact CB-CG 3.79Å; W66-W134 HydrophobicContact CD2-CZ2 4.39Å; W66-W134 HydrophobicContact CE3-CD2 4.05Å; W66-W134 AromaticContact CE3-CE2 3.51Å; W66-W134 HydrophobicContact CE3-CE3 4.32Å; W66-W134 AromaticContact CE3-CH2 3.66Å; W66-W134 HydrophobicContact CE3-CH2 3.66Å; W66-W134 AromaticContact CE3-CZ2 3.33Å; W66-W134 HydrophobicContact CE3-CZ2 3.33Å; W66-W134 HydrophobicContact CE3-CZ3 4.13Å; W66-W134 AromaticContact CE3-NE1 3.98Å; W66-W134 AromaticContact CZ3-CH2 3.95Å; W66-W134 HydrophobicContact CZ3-CH2 3.95Å; W66-W134 AromaticContact CZ3-CZ2 3.57Å; W66-W134 HydrophobicContact CZ3-CZ2 3.57Å; T130-W134 PolarHBondContact O-N 2.99Å; A131-W134 PolarHBondContact O-N 3.36Å; W134-K136 PolarHBondContact O-N 2.99Å; W134-T137 PolarHBondContact O-N 3.35Å; W134-Y138 HydrophobicContact CB-CD2 4.11Å; W134-Y138 HydrophobicContact CB-CE2 4.44Å; W134-Y138 AromaticContact CD2-CD2 4Å; W134-Y138 HydrophobicContact CD2-CD2 4Å; W134-Y138 AromaticContact CD2-CE2 3.65Å; W134-Y138 HydrophobicContact CD2-CE2 3.65Å; W134-Y138 AromaticContact CE3-CD2 3.79Å; W134-Y138 HydrophobicContact CE3-CD2 3.79Å; W134-Y138 AromaticContact CE3-CE2 3.66Å; W134-Y138 HydrophobicContact CE3-CE2 3.66Å; W134-Y138 HydrophobicContact CG-CD2 4.17Å; W134-Y138 HydrophobicContact CG-CE2 4.02Å; W134-Y138 HydrophobicContact CZ3-CE2 4.2Å; W134-Y138 WeakPolarHBondContact O-CB 3.36Å; W134-Y138 WeakPolarHBondContact O-CD2 3.42Å; W134-Y138 PolarHBondContact O-N 2.8Å
135A92.1Very high83.7Confident10 Ų1083.3 Ų83.38%0.08339%0.393CS..Hα-helixtrans-57.6-47.8175.600000111.2Y42 A131 R132 F133 T137 A139Y42-A135 VanDerWaalsContact OH-CB 3.26Å; Y42-A135 WeakPolarHBondContact OH-CB 3.37Å; A131-A135 WeakPolarHBondContact O-CB 3.19Å; A131-A135 PolarHBondContact O-N 3.2Å; R132-A135 PolarHBondContact O-N 2.99Å; F133-A135 PolarHBondContact O-N 3.43Å; A135-T137 VanDerWaalsContact C-N 3.34Å; A135-T137 PolarHBondContact O-N 3.47Å; A135-A139 WeakPolarHBondContact O-CA 3.47Å; A135-A139 WeakPolarHBondContact O-CB 3.37Å; A135-A139 PolarHBondContact O-N 3.36Å
136K89Confident80.9Confident167 Ų16784.7 Ų84.773%0.72640%0.397SS*.Hα-helixtrans-65.7-33.7177.6-71.9177.7179.8-176.40113.3R132 F133 W134R132-K136 WeakPolarHBondContact O-CG 3.34Å; R132-K136 PolarHBondContact O-N 2.8Å; F133-K136 PolarHBondContact O-N 3.47Å; W134-K136 PolarHBondContact O-N 2.99Å
137T90Very high78Confident74 Ų7485.4 Ų85.445%0.45440%0.4SS..Hα-helixtrans-80.2-40.6-177-58.70000112.9F133 W134 A135F133-T137 WeakPolarHBondContact O-CB 3.23Å; F133-T137 PolarHBondContact O-N 2.87Å; F133-T137 PolarHBondContact O-OG1 2.94Å; W134-T137 PolarHBondContact O-N 3.35Å; A135-T137 VanDerWaalsContact C-N 3.34Å; A135-T137 PolarHBondContact O-N 3.47Å
138Y92.9Very high75.3Confident88 Ų8890.7 Ų90.735%0.34543%0.433SS..Hα-helixtrans-112.5-30.6-168.3-59.7-62000114.3T63 R64 W134T63-Y138 WeakPolarHBondContact CG2-O 3.37Å; R64-Y138 HydrophobicContact CB-CD1 4.16Å; R64-Y138 HydrophobicContact CB-CD2 3.73Å; R64-Y138 HydrophobicContact CB-CE2 4.13Å; R64-Y138 HydrophobicContact CB-CG 3.75Å; R64-Y138 WeakPolarHBondContact O-CB 3.39Å; W134-Y138 HydrophobicContact CB-CD2 4.11Å; W134-Y138 HydrophobicContact CB-CE2 4.44Å; W134-Y138 AromaticContact CD2-CD2 4Å; W134-Y138 HydrophobicContact CD2-CD2 4Å; W134-Y138 AromaticContact CD2-CE2 3.65Å; W134-Y138 HydrophobicContact CD2-CE2 3.65Å; W134-Y138 AromaticContact CE3-CD2 3.79Å; W134-Y138 HydrophobicContact CE3-CD2 3.79Å; W134-Y138 AromaticContact CE3-CE2 3.66Å; W134-Y138 HydrophobicContact CE3-CE2 3.66Å; W134-Y138 HydrophobicContact CG-CD2 4.17Å; W134-Y138 HydrophobicContact CG-CE2 4.02Å; W134-Y138 HydrophobicContact CZ3-CE2 4.2Å; W134-Y138 WeakPolarHBondContact O-CB 3.36Å; W134-Y138 WeakPolarHBondContact O-CD2 3.42Å; W134-Y138 PolarHBondContact O-N 2.8Å
139A91.9Very high72.5Confident12 Ų1294.2 Ų94.210%0.09945%0.452CS..SBendtrans-75.9144-179.800000110.3Y42 T63 A135 C141Y42-A139 HydrophobicContact CD1-CB 4.19Å; Y42-A139 HydrophobicContact CE1-CB 3.71Å; Y42-A139 HydrophobicContact CE2-CB 4.38Å; T63-A139 HydrophobicContact CG2-CB 4.24Å; A135-A139 WeakPolarHBondContact O-CA 3.47Å; A135-A139 WeakPolarHBondContact O-CB 3.37Å; A135-A139 PolarHBondContact O-N 3.36Å; A139-C141 PolarHBondContact O-N 2.99Å
140K83Confident69.6Low106 Ų10692.4 Ų92.446%0.46145%0.453SS..EExtended strand (participates in β ladder)trans-69.6128.6171.9-70.1178.8175.5-176.80108.1I41 E43I41-K140 HydrophobicContact CB-CB 4.09Å; I41-K140 PolarHBondContact N-O 3.18Å; I41-K140 PolarHBondContact O-N 3Å; E43-K140 WeakPolarHBondContact OE1-CE 3.45Å; E43-K140 IonicContact OE1-NZ 3.92Å; E43-K140 PolarHBondContact OE1-NZ 3.4Å; E43-K140 IonicContact OE2-NZ 3.26Å
141C69.6Low67Low57 Ų5798.8 Ų98.839%0.38548%0.484SS..EExtended strand (participates in β ladder)trans-89.6134.9166.1-176.60000108.4A139 N143 L144A139-C141 PolarHBondContact O-N 2.99Å; C141-N143 PolarHBondContact O-N 3.49Å; C141-L144 PolarHBondContact O-N 3Å
142L59.7Low64.5Low74 Ų74103.4 Ų103.439%0.38751%0.507SS..THydrogen-bonded Turntrans-58.4-17.3178.7-75.6157.2000113I41 C161I41-L142 HydrophobicContact CD1-CD1 4.25Å; I41-L142 HydrophobicContact CD1-CD2 3.38Å; I41-L142 HydrophobicContact CD1-CG 3.47Å; I41-L142 VanDerWaalsContact CD1-CG 3.47Å; I41-L142 HydrophobicContact CG1-CG 4.31Å; L142-C161 HydrophobicContact CB-CB 4.42Å; L142-C161 HydrophobicContact CD1-CB 4.18Å
143N48.9Very low62Low58 Ų58102.8 Ų102.831%0.3152%0.52SS..THydrogen-bonded Turntrans-90.33-174.7-69.6-16000115.6C141 H145 F146 I147C141-N143 PolarHBondContact O-N 3.49Å; N143-H145 PolarHBondContact O-N 3.21Å; N143-H145 VanDerWaalsContact O-N 3.16Å; N143-F146 PolarHBondContact O-N 3.1Å; N143-I147 HydrophobicContact CB-CD1 4.3Å
144L42Very low59.9Low120 Ų120101.7 Ų101.763%0.62852%0.521SS*.Hα-helixtrans-68.4-14.2-178.7-117.6100.4000114.6C141 F146C141-L144 PolarHBondContact O-N 3Å; L144-F146 PolarHBondContact O-N 2.85Å
145H42.5Very low57.7Low183 Ų183107.7 Ų107.785%0.84756%0.555SS**Hα-helixtrans-75.6-7.5176.3-115.8104.9000114.4N143N143-H145 PolarHBondContact O-N 3.21Å; N143-H145 VanDerWaalsContact O-N 3.16Å
146F36.6Very low55.3Low188 Ų188112.6 Ų112.683%0.82558%0.58SS**Hα-helixtrans-115.6-18.7179.4-101.4-89.7000115.4N143 L144N143-F146 PolarHBondContact O-N 3.1Å; L144-F146 PolarHBondContact O-N 2.85Å
147I36.6Very low53Low78 Ų78111.4 Ų111.440%0.458%0.58SS.*Hα-helixtrans-84.8-18.7-167.2-60.1172.5000113.3N143 F149 P158N143-I147 HydrophobicContact CB-CD1 4.3Å; I147-F149 VanDerWaalsContact C-N 3.29Å; I147-F149 PolarHBondContact O-N 3.38Å; I147-P158 HydrophobicContact CD1-CG 3.93Å
148V40.4Very low50.6Low120 Ų120111.1 Ų111.173%0.72758%0.58SS**THydrogen-bonded Turntrans-77.8-12.4-177.3-150.50000113.3
149F35.9Very low48.1Very low193 Ų193110.2 Ų110.285%0.84659%0.59SS**THydrogen-bonded Turntrans-100.10.1-176.2-82.5-70000116.3I147I147-F149 VanDerWaalsContact C-N 3.29Å; I147-F149 PolarHBondContact O-N 3.38Å
150S34.7Very low45.8Very low85 Ų85113.8 Ų113.859%0.59461%0.613SS**SBendtrans-152.4107.1173.8-60.70000111.2I152S150-I152 PolarHBondContact O-N 3.48Å
151I40.6Very low44.3Very low163 Ų163109.8 Ų109.884%0.83660%0.598SS**  trans-23.7106.8154.3-56.3164.9000109.7P153I151-P153 HydrophobicContact CG2-CG 4.48Å; I151-P153 WeakPolarHBondContact O-CD 3.47Å
152I43.6Very low43.5Very low96 Ų96116.1 Ų116.149%0.49262%0.622SS.*  trans-91.9109.6167.8-52.6-169.7000106.1S150 N154S150-I152 PolarHBondContact O-N 3.48Å; I152-N154 VanDerWaalsContact CG2-O 3.23Å; I152-N154 WeakPolarHBondContact CG2-O 3.49Å; I152-N154 PolarHBondContact O-N 2.91Å
153P41.8Very low43.5Very low116 Ų116115 Ų11575%0.75362%0.618SS**  trans-76.8-7.9-178.6-12.129.1000113.5I151I151-P153 HydrophobicContact CG2-CG 4.48Å; I151-P153 WeakPolarHBondContact O-CD 3.47Å
154N49.9Very low44.1Very low109 Ų109115.3 Ų115.358%0.58362%0.624SS**SBendtrans-114.3142.7-178.9-68.3-27000109.6I152 D156I152-N154 VanDerWaalsContact CG2-O 3.23Å; I152-N154 WeakPolarHBondContact CG2-O 3.49Å; I152-N154 PolarHBondContact O-N 2.91Å; N154-D156 WeakPolarHBondContact CB-OD2 3.37Å; N154-D156 PolarHBondContact O-N 3.34Å
155N50.3Low45.2Very low164 Ų164114.1 Ų114.188%0.87762%0.624SS**  trans-67.527.8-178.9-136.228.2000113.2I157N155-I157 PolarHBondContact O-N 3.16Å
156D41.4Very low46.5Very low114 Ų114112.2 Ų112.261%0.6162%0.615SS**  trans-72.391.2178.3-65.6-38.5000107.8N154 P158N154-D156 WeakPolarHBondContact CB-OD2 3.37Å; N154-D156 PolarHBondContact O-N 3.34Å; D156-P158 VanDerWaalsContact O-CD 3.3Å; D156-P158 WeakPolarHBondContact O-CD 3.37Å; D156-P158 VanDerWaalsContact O-N 3.11Å
157I41.3Very low47.8Very low142 Ų142103.6 Ų103.673%0.72858%0.578SS**PPolyproline II helixtrans-56.6116.9169.5-60165.7000106.1N155 A159N155-I157 PolarHBondContact O-N 3.16Å; I157-A159 PolarHBondContact O-N 2.63Å
158P39.9Very low49.2Very low67 Ų67101.7 Ų101.744%0.43557%0.568SS.*PPolyproline II helixtrans-58.1136.6-178.219.3-28.6000109.4I147 D156I147-P158 HydrophobicContact CD1-CG 3.93Å; D156-P158 VanDerWaalsContact O-CD 3.3Å; D156-P158 WeakPolarHBondContact O-CD 3.37Å; D156-P158 VanDerWaalsContact O-N 3.11Å
159A39.4Very low50.8Low69 Ų69103.1 Ų103.157%0.5757%0.565SS**PPolyproline II helixtrans-50.3141.817700000110.2I157I157-A159 PolarHBondContact O-N 2.63Å
160P44.5Very low52.5Low88 Ų8897.8 Ų97.857%0.57154%0.541SS*.PPolyproline II helixtrans-52.8145.7173.421.6-30.9000109.9Q162P160-Q162 PolarHBondContact O-N 3.05Å
161C51.2Low54Low22 Ų2293.8 Ų93.815%0.14951%0.513CS..PPolyproline II helixtrans-48.7124.1-176-53.90000110.7L142 V163L142-C161 HydrophobicContact CB-CB 4.42Å; L142-C161 HydrophobicContact CD1-CB 4.18Å; C161-V163 PolarHBondContact O-N 3.01Å
162Q52.6Low55.6Low189 Ų18989.8 Ų89.888%0.88349%0.487SS*.  trans-65.8100.6177.6-60.6-101.7-8200108.3P160P160-Q162 PolarHBondContact O-N 3.05Å
163V60.2Low57Low50 Ų5088.2 Ų88.230%0.30349%0.485SS..  trans-74.9146.5169.5-94.30000109.5C161 Y167C161-V163 PolarHBondContact O-N 3.01Å; V163-Y167 HydrophobicContact CB-CD1 3.67Å; V163-Y167 HydrophobicContact CB-CE1 4.19Å; V163-Y167 HydrophobicContact CB-CG 4.49Å; V163-Y167 HydrophobicContact CG1-CD1 3.42Å; V163-Y167 VanDerWaalsContact CG1-CD1 3.42Å; V163-Y167 HydrophobicContact CG1-CE1 3.54Å; V163-Y167 HydrophobicContact CG1-CG 4.22Å; V163-Y167 HydrophobicContact CG2-CD1 4.4Å
164S61.2Low58.2Low65 Ų6583.5 Ų83.546%0.45545%0.453SS..  trans-63.2142175.167.70000109.5E166 Y167 D168S164-E166 PolarHBondContact O-N 3.21Å; S164-E166 VanDerWaalsContact O-N 3.1Å; S164-Y167 WeakPolarHBondContact O-CB 3.33Å; S164-Y167 PolarHBondContact O-N 3.04Å; S164-Y167 WeakPolarHBondContact OG-CB 3.45Å; S164-Y167 PolarHBondContact OG-N 3.38Å; S164-D168 PolarHBondContact O-N 2.81Å
165P65.4Low58.8Low96 Ų9679.5 Ų79.562%0.62343%0.433SS*.Hα-helixtrans-56.8-27.6176.7-27.134.8000113.3K169P165-K169 WeakPolarHBondContact O-CB 3.2Å; P165-K169 VanDerWaalsContact O-CG 3.23Å; P165-K169 WeakPolarHBondContact O-CG 3.27Å; P165-K169 PolarHBondContact O-N 3.29Å
166E68.4Low59.7Low142 Ų14279.3 Ų79.366%0.66443%0.427SS*.Hα-helixtrans-68.9-44.9175.1-172.6-178.5171.300112.2S164 D168 K170S164-E166 PolarHBondContact O-N 3.21Å; S164-E166 VanDerWaalsContact O-N 3.1Å; E166-D168 VanDerWaalsContact C-N 3.35Å; E166-K170 VanDerWaalsContact O-CB 3.26Å; E166-K170 WeakPolarHBondContact O-CB 3.45Å; E166-K170 PolarHBondContact O-N 2.91Å
167Y65Low61Low8 Ų877 Ų773%0.03141%0.413CS..Hα-helixtrans-59.5-48.4173167.9-83.4000110.4A10 T11 R30 Q100 V163 S164 K169 K170 V171A10-Y167 WeakPolarHBondContact O-CD2 3.32Å; T11-Y167 WeakPolarHBondContact O-CE2 3.3Å; R30-Y167 WeakPolarHBondContact CB-OH 3.26Å; Q100-Y167 PolarHBondContact NE2-OH 3.26Å; V163-Y167 HydrophobicContact CB-CD1 3.67Å; V163-Y167 HydrophobicContact CB-CE1 4.19Å; V163-Y167 HydrophobicContact CB-CG 4.49Å; V163-Y167 HydrophobicContact CG1-CD1 3.42Å; V163-Y167 VanDerWaalsContact CG1-CD1 3.42Å; V163-Y167 HydrophobicContact CG1-CE1 3.54Å; V163-Y167 HydrophobicContact CG1-CG 4.22Å; V163-Y167 HydrophobicContact CG2-CD1 4.4Å; S164-Y167 WeakPolarHBondContact O-CB 3.33Å; S164-Y167 PolarHBondContact O-N 3.04Å; S164-Y167 WeakPolarHBondContact OG-CB 3.45Å; S164-Y167 PolarHBondContact OG-N 3.38Å; Y167-K169 PolarHBondContact O-N 3.41Å; Y167-K170 PolarHBondContact O-N 3.27Å; Y167-V171 HydrophobicContact CD1-CG2 4.28Å; Y167-V171 HydrophobicContact CD2-CG2 4.16Å; Y167-V171 HydrophobicContact CE1-CB 4.47Å; Y167-V171 HydrophobicContact CE1-CG2 3.84Å; Y167-V171 HydrophobicContact CE2-CG2 3.72Å; Y167-V171 HydrophobicContact CG-CG2 4.41Å; Y167-V171 WeakPolarHBondContact O-CG2 3.35Å; Y167-V171 PolarHBondContact O-N 3.13Å
168D66.4Low62.3Low38 Ų3871.2 Ų71.220%0.20339%0.388CS..Hα-helixtrans-60.6-49-177.2-175.667.8000111.2P33 S164 E166 K170 V171 R172P33-D168 VanDerWaalsContact CB-OD1 3.27Å; P33-D168 WeakPolarHBondContact CB-OD1 3.22Å; P33-D168 WeakPolarHBondContact CG-OD1 3.49Å; S164-D168 PolarHBondContact O-N 2.81Å; E166-D168 VanDerWaalsContact C-N 3.35Å; D168-K170 VanDerWaalsContact C-N 3.32Å; D168-K170 PolarHBondContact O-N 3.01Å; D168-V171 PolarHBondContact O-N 3.07Å; D168-R172 VanDerWaalsContact CG-NE 3.3Å; D168-R172 WeakPolarHBondContact O-CB 3.38Å; D168-R172 WeakPolarHBondContact O-CG 3.44Å; D168-R172 PolarHBondContact O-N 2.89Å; D168-R172 IonicContact OD1-CZ 2.89Å; D168-R172 IonicContact OD1-NE 3.72Å; D168-R172 PolarHBondContact OD1-NE 2.91Å; D168-R172 IonicContact OD1-NH2 4Å; D168-R172 WeakPolarHBondContact OD2-CD 3.47Å; D168-R172 IonicContact OD2-CZ 2.6Å; D168-R172 IonicContact OD2-NE 3.95Å; D168-R172 PolarHBondContact OD2-NE 3.22Å; D168-R172 IonicContact OD2-NH2 3.78Å
169K73.5Confident63.7Low150 Ų15069.4 Ų69.465%0.65238%0.376SS*.Hα-helixtrans-57.3-43.4173.9-76.2176.3-178-176.60112.7P165 Y167 S173P165-K169 WeakPolarHBondContact O-CB 3.2Å; P165-K169 VanDerWaalsContact O-CG 3.23Å; P165-K169 WeakPolarHBondContact O-CG 3.27Å; P165-K169 PolarHBondContact O-N 3.29Å; Y167-K169 PolarHBondContact O-N 3.41Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 3.49Å
170K70.9Confident65.3Low81 Ų8169.9 Ų69.935%0.35238%0.38SS..Hα-helixtrans-68.3-45-177.5-172.5171.5-173.2168.90111.9A10 T11 E166 Y167 D168 S173 I174A10-K170 HydrophobicContact CB-CD 4.32Å; T11-K170 HydrophobicContact CG2-CD 4.14Å; E166-K170 VanDerWaalsContact O-CB 3.26Å; E166-K170 WeakPolarHBondContact O-CB 3.45Å; E166-K170 PolarHBondContact O-N 2.91Å; Y167-K170 PolarHBondContact O-N 3.27Å; D168-K170 VanDerWaalsContact C-N 3.32Å; D168-K170 PolarHBondContact O-N 3.01Å; K170-S173 PolarHBondContact O-N 3.36Å; K170-I174 HydrophobicContact CG-CD1 3.95Å; K170-I174 WeakPolarHBondContact O-CD1 3.41Å; K170-I174 VanDerWaalsContact O-CG1 3.23Å; K170-I174 WeakPolarHBondContact O-CG1 3.42Å; K170-I174 PolarHBondContact O-N 2.98Å
171V67.1Low66.5Low0 Ų070.7 Ų70.70%038%0.376CS..Hα-helixtrans-67.3-40.8178.2178.20000110.7P32 P33 Y167 D168 S173 I174 T175P32-V171 HydrophobicContact CB-CG1 3.99Å; P33-V171 HydrophobicContact CG-CG1 4.44Å; Y167-V171 HydrophobicContact CD1-CG2 4.28Å; Y167-V171 HydrophobicContact CD2-CG2 4.16Å; Y167-V171 HydrophobicContact CE1-CB 4.47Å; Y167-V171 HydrophobicContact CE1-CG2 3.84Å; Y167-V171 HydrophobicContact CE2-CG2 3.72Å; Y167-V171 HydrophobicContact CG-CG2 4.41Å; Y167-V171 WeakPolarHBondContact O-CG2 3.35Å; Y167-V171 PolarHBondContact O-N 3.13Å; D168-V171 PolarHBondContact O-N 3.07Å; V171-S173 PolarHBondContact O-N 3.22Å; V171-I174 CarbonylContact O-C 3.16Å; V171-I174 PolarHBondContact O-N 2.92Å; V171-I174 VanDerWaalsContact O-N 3.08Å; V171-T175 HydrophobicContact CG1-CG2 4.36Å; V171-T175 PolarHBondContact O-N 3.44Å; V171-T175 PolarHBondContact O-OG1 3.44Å; V171-T175 VanDerWaalsContact O-OG1 3.13Å
172R73.3Confident67.4Low79 Ų7969.7 Ų69.730%0.29837%0.369SS..Hα-helixtrans-56.3-49.3173.2-74.2170.4-179.1-80-10.4112P33 D34 D168 I174 T175 E176P33-R172 HydrophobicContact CG-CG 3.86Å; D34-R172 VanDerWaalsContact CG-NH2 3.32Å; D34-R172 IonicContact OD1-CZ 3.83Å; D34-R172 IonicContact OD1-NH1 3.95Å; D34-R172 IonicContact OD1-NH2 2.61Å; D34-R172 PolarHBondContact OD1-NH2 2.99Å; D34-R172 IonicContact OD2-CZ 2.79Å; D34-R172 IonicContact OD2-NH1 3.22Å; D34-R172 PolarHBondContact OD2-NH1 2.86Å; D34-R172 IonicContact OD2-NH2 3.05Å; D34-R172 PolarHBondContact OD2-NH2 3.16Å; D34-R172 VanDerWaalsContact OD2-NH2 3.08Å; D168-R172 VanDerWaalsContact CG-NE 3.3Å; D168-R172 WeakPolarHBondContact O-CB 3.38Å; D168-R172 WeakPolarHBondContact O-CG 3.44Å; D168-R172 PolarHBondContact O-N 2.89Å; D168-R172 IonicContact OD1-CZ 2.89Å; D168-R172 IonicContact OD1-NE 3.72Å; D168-R172 PolarHBondContact OD1-NE 2.91Å; D168-R172 IonicContact OD1-NH2 4Å; D168-R172 WeakPolarHBondContact OD2-CD 3.47Å; D168-R172 IonicContact OD2-CZ 2.6Å; D168-R172 IonicContact OD2-NE 3.95Å; D168-R172 PolarHBondContact OD2-NE 3.22Å; D168-R172 IonicContact OD2-NH2 3.78Å; R172-I174 PolarHBondContact O-N 3.19Å; R172-T175 WeakPolarHBondContact CA-OG1 3.32Å; R172-T175 PolarHBondContact O-N 3.4Å; R172-T175 PolarHBondContact O-OG1 3.4Å; R172-E176 VanDerWaalsContact O-CG 3.32Å; R172-E176 WeakPolarHBondContact O-CG 3.5Å; R172-E176 PolarHBondContact O-N 3.26Å
173S73.8Confident67.9Low63 Ų6361.6 Ų61.644%0.44133%0.332SS..Hα-helixtrans-59.8-34.5175.8175.60000112.5K169 K170 V171 M177K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 3.49Å; K170-S173 PolarHBondContact O-N 3.36Å; V171-S173 PolarHBondContact O-N 3.22Å; S173-M177 PolarHBondContact O-N 3.34Å
174I67.6Low68.4Low18 Ų1861.3 Ų61.39%0.09233%0.334CS..Hα-helixtrans-74.5-39177.3-67.8161.5000112T11 L97 V101 K170 V171 R172 E176 M177 V182T11-I174 HydrophobicContact CG2-CD1 4.39Å; L97-I174 HydrophobicContact CD2-CD1 4.17Å; V101-I174 HydrophobicContact CG2-CB 4.49Å; V101-I174 HydrophobicContact CG2-CG2 3.28Å; K170-I174 HydrophobicContact CG-CD1 3.95Å; K170-I174 WeakPolarHBondContact O-CD1 3.41Å; K170-I174 VanDerWaalsContact O-CG1 3.23Å; K170-I174 WeakPolarHBondContact O-CG1 3.42Å; K170-I174 PolarHBondContact O-N 2.98Å; V171-I174 CarbonylContact O-C 3.16Å; V171-I174 PolarHBondContact O-N 2.92Å; V171-I174 VanDerWaalsContact O-N 3.08Å; R172-I174 PolarHBondContact O-N 3.19Å; I174-E176 VanDerWaalsContact C-N 3.34Å; I174-M177 HydrophobicContact CB-CE 4.13Å; I174-M177 HydrophobicContact CG1-CE 3.84Å; I174-M177 HydrophobicContact CG2-CE 4.4Å; I174-M177 PolarHBondContact O-N 2.61Å; I174-V182 HydrophobicContact CG2-CG2 4.01Å
175T62.2Low68.7Low25 Ų2564.6 Ų64.615%0.15334%0.341CS..Hα-helixtrans-67.9-33.2175.248.10000112.6P32 C105 V171 R172 M177 G178P32-T175 HydrophobicContact CB-CG2 3.94Å; C105-T175 PolarHBondContact SG-O 3.16Å; V171-T175 HydrophobicContact CG1-CG2 4.36Å; V171-T175 PolarHBondContact O-N 3.44Å; V171-T175 PolarHBondContact O-OG1 3.44Å; V171-T175 VanDerWaalsContact O-OG1 3.13Å; R172-T175 WeakPolarHBondContact CA-OG1 3.32Å; R172-T175 PolarHBondContact O-N 3.4Å; R172-T175 PolarHBondContact O-OG1 3.4Å; T175-M177 VanDerWaalsContact C-N 3.28Å; T175-M177 PolarHBondContact O-N 3.36Å; T175-G178 PolarHBondContact O-N 3.08Å
176E69.6Low68.4Low160 Ų16063.2 Ų63.275%0.74833%0.325SS*.Hα-helixtrans-66.5-27.7176.3-75.6169.6-171.700113.3R172 I174 G178R172-E176 VanDerWaalsContact O-CG 3.32Å; R172-E176 WeakPolarHBondContact O-CG 3.5Å; R172-E176 PolarHBondContact O-N 3.26Å; I174-E176 VanDerWaalsContact C-N 3.34Å; E176-G178 VanDerWaalsContact C-N 3.27Å; E176-G178 PolarHBondContact O-N 2.76Å
177M68.4Low67.8Low66 Ų6660.1 Ų60.133%0.32531%0.312SS..Hα-helixtrans-67.5-29.9175-73.9-169.6-73.800111.8S173 I174 T175 Q181 V182S173-M177 PolarHBondContact O-N 3.34Å; I174-M177 HydrophobicContact CB-CE 4.13Å; I174-M177 HydrophobicContact CG1-CE 3.84Å; I174-M177 HydrophobicContact CG2-CE 4.4Å; I174-M177 PolarHBondContact O-N 2.61Å; T175-M177 VanDerWaalsContact C-N 3.28Å; T175-M177 PolarHBondContact O-N 3.36Å; M177-Q181 HydrophobicContact CB-CB 3.98Å; M177-Q181 HydrophobicContact CB-CG 4.02Å; M177-Q181 HydrophobicContact CG-CG 4.24Å; M177-Q181 WeakPolarHBondContact O-CB 3.36Å; M177-Q181 HydrophobicContact SD-CG 4.44Å; M177-V182 HydrophobicContact CB-CG2 3.89Å; M177-V182 HydrophobicContact CE-CG2 3.93Å
178G66.9Low67.3Low20 Ų2067.3 Ų67.321%0.20636%0.364CS..Hα-helixtrans71.5166-169.300000112.7T175 E176 A180 Q181 V182T175-G178 PolarHBondContact O-N 3.08Å; E176-G178 VanDerWaalsContact C-N 3.27Å; E176-G178 PolarHBondContact O-N 2.76Å; G178-A180 PolarHBondContact O-N 3.05Å; G178-Q181 PolarHBondContact O-N 3.12Å; G178-V182 VanDerWaalsContact O-CG2 3.29Å; G178-V182 WeakPolarHBondContact O-CG2 3.2Å; G178-V182 PolarHBondContact O-N 3.26Å; G178-V182 VanDerWaalsContact O-N 3.16Å
179V70.8Confident67.4Low29 Ų2968.8 Ų68.818%0.17637%0.372CS..Hα-helixtrans-61.2-47.7-172.2-178.30000111.2L79 V101 L102 Q181 V182 I183L79-V179 HydrophobicContact CD1-CG1 3.66Å; V101-V179 HydrophobicContact CB-CG2 4.27Å; V101-V179 HydrophobicContact CG1-CG2 3.8Å; L102-V179 HydrophobicContact CB-CG2 4.17Å; L102-V179 HydrophobicContact CD1-CG2 4.28Å; V179-Q181 PolarHBondContact O-N 3.36Å; V179-V182 PolarHBondContact O-N 2.85Å; V179-I183 HydrophobicContact CG1-CD1 3.76Å; V179-I183 HydrophobicContact CG1-CG1 4.47Å; V179-I183 WeakPolarHBondContact O-CD1 3.23Å; V179-I183 WeakPolarHBondContact O-CG1 3.3Å; V179-I183 PolarHBondContact O-N 3.07Å; V179-I183 VanDerWaalsContact O-N 3.07Å
180A72.6Confident67Low79 Ų7964.5 Ų64.565%0.65336%0.357SS*.Hα-helixtrans-59.9-42.7-177.400000113.4G178 I183 A184G178-A180 PolarHBondContact O-N 3.05Å; A180-I183 PolarHBondContact O-N 2.84Å; A180-A184 PolarHBondContact O-N 3.07Å
181Q70.2Confident66.8Low105 Ų10563.6 Ų63.649%0.49136%0.357SS..Hα-helixtrans-72.8-35.9-179.9-172.265.530.800112M177 G178 V179 I183 A184 F185M177-Q181 HydrophobicContact CB-CB 3.98Å; M177-Q181 HydrophobicContact CB-CG 4.02Å; M177-Q181 HydrophobicContact CG-CG 4.24Å; M177-Q181 WeakPolarHBondContact O-CB 3.36Å; M177-Q181 HydrophobicContact SD-CG 4.44Å; G178-Q181 PolarHBondContact O-N 3.12Å; V179-Q181 PolarHBondContact O-N 3.36Å; Q181-I183 VanDerWaalsContact C-N 3.27Å; Q181-I183 PolarHBondContact O-N 3Å; Q181-A184 PolarHBondContact O-N 3.14Å; Q181-F185 WeakPolarHBondContact O-CB 3.32Å; Q181-F185 PolarHBondContact O-N 2.86Å
182V68.6Low66.8Low0 Ų067.3 Ų67.30%038%0.378CS..Hα-helixtrans-59.4-44.1173.7167.60000109.9L97 V101 I174 M177 G178 V179 F185 F186L97-V182 HydrophobicContact CB-CG1 4.49Å; V101-V182 HydrophobicContact CG2-CG2 4.09Å; I174-V182 HydrophobicContact CG2-CG2 4.01Å; M177-V182 HydrophobicContact CB-CG2 3.89Å; M177-V182 HydrophobicContact CE-CG2 3.93Å; G178-V182 VanDerWaalsContact O-CG2 3.29Å; G178-V182 WeakPolarHBondContact O-CG2 3.2Å; G178-V182 PolarHBondContact O-N 3.26Å; G178-V182 VanDerWaalsContact O-N 3.16Å; V179-V182 PolarHBondContact O-N 2.85Å; V182-F185 PolarHBondContact O-N 3.01Å; V182-F186 HydrophobicContact CG1-CD2 4.1Å; V182-F186 HydrophobicContact CG1-CE2 4.07Å; V182-F186 WeakPolarHBondContact O-CD2 3.39Å; V182-F186 PolarHBondContact O-N 3.19Å
183I64.4Low66.4Low19 Ų1966.6 Ų66.610%0.09738%0.383CS..Hα-helixtrans-61.3-50176-61.2161.5000110.4V81 V179 A180 Q181 F185 F186 I187V81-I183 HydrophobicContact CG1-CB 4.2Å; V81-I183 HydrophobicContact CG1-CD1 3.34Å; V81-I183 HydrophobicContact CG1-CG1 3.45Å; V81-I183 VanDerWaalsContact CG1-CG1 3.45Å; V81-I183 HydrophobicContact CG1-CG2 3.66Å; V179-I183 HydrophobicContact CG1-CD1 3.76Å; V179-I183 HydrophobicContact CG1-CG1 4.47Å; V179-I183 WeakPolarHBondContact O-CD1 3.23Å; V179-I183 WeakPolarHBondContact O-CG1 3.3Å; V179-I183 PolarHBondContact O-N 3.07Å; V179-I183 VanDerWaalsContact O-N 3.07Å; A180-I183 PolarHBondContact O-N 2.84Å; Q181-I183 VanDerWaalsContact C-N 3.27Å; Q181-I183 PolarHBondContact O-N 3Å; I183-F185 VanDerWaalsContact C-N 3.29Å; I183-F185 PolarHBondContact O-N 2.93Å; I183-F186 PolarHBondContact O-N 3.05Å; I183-F186 VanDerWaalsContact O-N 3.14Å; I183-I187 HydrophobicContact CG2-CD1 3.51Å; I183-I187 HydrophobicContact CG2-CG1 4.3Å; I183-I187 WeakPolarHBondContact O-CG1 3.35Å; I183-I187 PolarHBondContact O-N 3.33Å; I183-I187 VanDerWaalsContact O-N 3.14Å
184A69.9Low65.9Low44 Ų4466.8 Ų66.836%0.36438%0.38SS..Hα-helixtrans-58.4-39-18000000113A180 Q181 F186 I187 S188A180-A184 PolarHBondContact O-N 3.07Å; Q181-A184 PolarHBondContact O-N 3.14Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 2.78Å; A184-I187 PolarHBondContact O-N 2.96Å; A184-S188 PolarHBondContact O-N 3.38Å; A184-S188 PolarHBondContact O-OG 2.74Å
185F66.9Low65.8Low135 Ų13570.3 Ų70.359%0.59240%0.4SS*.Hα-helixtrans-67.1-27.7179.7-170.1-93.4000113.5Q181 V182 I183Q181-F185 WeakPolarHBondContact O-CB 3.32Å; Q181-F185 PolarHBondContact O-N 2.86Å; V182-F185 PolarHBondContact O-N 3.01Å; I183-F185 VanDerWaalsContact C-N 3.29Å; I183-F185 PolarHBondContact O-N 2.93Å
186F60.8Low66.1Low66 Ų6673.8 Ų73.829%0.28942%0.419SS..Hα-helixtrans-97.4-10.7179.8-74.5-68.3000114.2T94 L97 V182 I183 A184T94-F186 HydrophobicContact CG2-CB 3.57Å; T94-F186 HydrophobicContact CG2-CD2 3.58Å; T94-F186 HydrophobicContact CG2-CG 3.74Å; L97-F186 HydrophobicContact CD1-CE2 3.79Å; L97-F186 HydrophobicContact CD1-CZ 3.75Å; V182-F186 HydrophobicContact CG1-CD2 4.1Å; V182-F186 HydrophobicContact CG1-CE2 4.07Å; V182-F186 WeakPolarHBondContact O-CD2 3.39Å; V182-F186 PolarHBondContact O-N 3.19Å; I183-F186 PolarHBondContact O-N 3.05Å; I183-F186 VanDerWaalsContact O-N 3.14Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 2.78Å
187I55.6Low65.8Low77 Ų7766.6 Ų66.640%0.39539%0.392SS..Hα-helixtrans-89.5-27.6174.6-66.3176.5000111.9L90 I183 A184L90-I187 HydrophobicContact CD2-CD1 4.11Å; L90-I187 HydrophobicContact CD2-CG1 3.57Å; L90-I187 HydrophobicContact CG-CG1 4.34Å; I183-I187 HydrophobicContact CG2-CD1 3.51Å; I183-I187 HydrophobicContact CG2-CG1 4.3Å; I183-I187 WeakPolarHBondContact O-CG1 3.35Å; I183-I187 PolarHBondContact O-N 3.33Å; I183-I187 VanDerWaalsContact O-N 3.14Å; A184-I187 PolarHBondContact O-N 2.96Å
188S54.2Low65.5Low159 Ų15966.6 Ų66.6100%1.11240%0.398SS*.  trans-79.40179.7-52.60000112.5A184A184-S188 PolarHBondContact O-N 3.38Å; A184-S188 PolarHBondContact O-OG 2.74Å

Retrieved 188 of 188 residues in 1146.8 ms (Link to these results)

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