G4VLA9_SCHMA Loading...

Putative dna-directed RNA polymerase II

AlphaFold DB , UniProt , Accession G4VLA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M40.7Very low58.4Low237 Ų237130.3 Ų130.3100%1.16772%0.724SS**  0102.10-71-159.9-77.100107Q3M1-Q3 PolarHBondContact O-N 3.22Å; M1-Q3 VanDerWaalsContact O-N 3.14Å
2S49.1Very low61.1Low119 Ų119125 Ų12583%0.83269%0.694SS**  trans-68.8109.4172.2-164.30000105.8M4S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 3.36Å
3Q46.8Very low63.4Low174 Ų174118.4 Ų118.481%0.81367%0.665SS**  trans-58.8107.1168.9-83176.90.100105.2M1 H5M1-Q3 PolarHBondContact O-N 3.22Å; M1-Q3 VanDerWaalsContact O-N 3.14Å; Q3-H5 PolarHBondContact O-N 2.98Å
4M52.8Low65.4Low178 Ų178113.1 Ų113.188%0.87764%0.64SS**  trans-56.596.7157.1-68.8173.775.600103.6S2 A6S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 3.36Å; M4-A6 PolarHBondContact O-N 3.42Å
5H50.2Low67.2Low155 Ų155113.1 Ų113.172%0.71863%0.632SS**  trans-61.290.4155.6-146.369.4000101.6Q3 V7Q3-H5 PolarHBondContact O-N 2.98Å; H5-V7 HydrophobicContact CB-CG2 4.39Å; H5-V7 PolarHBondContact O-N 3.42Å
6A55.7Low68.8Low87 Ų87108.5 Ų108.572%0.71961%0.606SS**  trans-59.586.8153.600000101.4M4 A8M4-A6 PolarHBondContact O-N 3.42Å; A6-A8 PolarHBondContact O-N 2.75Å
7V56.5Low70.2Confident80 Ų80106.6 Ų106.649%0.48559%0.59SS.*  trans-57.3110.1168-167.40000100H5 D9H5-V7 HydrophobicContact CB-CG2 4.39Å; H5-V7 PolarHBondContact O-N 3.42Å; V7-D9 HydrophobicContact CB-CB 4.32Å; V7-D9 HydrophobicContact CG1-CB 4.02Å; V7-D9 VanDerWaalsContact CG1-OD1 3.27Å; V7-D9 WeakPolarHBondContact CG1-OD1 3.28Å; V7-D9 VanDerWaalsContact CG1-OD2 3.29Å; V7-D9 WeakPolarHBondContact CG1-OD2 3.49Å; V7-D9 PolarHBondContact O-N 2.95Å
8A55.5Low71.4Confident102 Ų102103.4 Ų103.484%0.84357%0.569SS**  trans-69.353.6168.600000106.6A6 D10A6-A8 PolarHBondContact O-N 2.75Å; A8-D10 PolarHBondContact O-N 3.01Å
9D64.9Low72.4Confident88 Ų8899.2 Ų99.247%0.47155%0.548SS..  trans-66.1114.1168.9-93.5-20.2000103.2V7 F11V7-D9 HydrophobicContact CB-CB 4.32Å; V7-D9 HydrophobicContact CG1-CB 4.02Å; V7-D9 VanDerWaalsContact CG1-OD1 3.27Å; V7-D9 WeakPolarHBondContact CG1-OD1 3.28Å; V7-D9 VanDerWaalsContact CG1-OD2 3.29Å; V7-D9 WeakPolarHBondContact CG1-OD2 3.49Å; V7-D9 PolarHBondContact O-N 2.95Å; D9-F11 HydrophobicContact CB-CD2 3.42Å; D9-F11 VanDerWaalsContact CB-CD2 3.42Å; D9-F11 HydrophobicContact CB-CE2 3.39Å; D9-F11 HydrophobicContact CB-CG 4.08Å; D9-F11 HydrophobicContact CB-CZ 4.05Å; D9-F11 PolarHBondContact O-N 3.48Å; D9-F11 VanDerWaalsContact OD2-CE2 3.26Å; D9-F11 WeakPolarHBondContact OD2-CE2 3.49Å
10D82Confident73.2Confident114 Ų114103.4 Ų103.461%0.6156%0.56SS**  trans-64.930178.4-168.748.8000111.8A8 K17A8-D10 PolarHBondContact O-N 3.01Å; D10-K17 VanDerWaalsContact O-CD 3.27Å; D10-K17 WeakPolarHBondContact O-CD 3.41Å; D10-K17 IonicContact OD1-NZ 3.79Å; D10-K17 IonicContact OD2-NZ 3.02Å; D10-K17 PolarHBondContact OD2-NZ 3.3Å
11F87.9Confident73.9Confident99 Ų99105.1 Ų105.143%0.43457%0.569SS.*  trans-84.4116.5178.3-54.1-36.2000108.6D9 K17 F18 S19D9-F11 HydrophobicContact CB-CD2 3.42Å; D9-F11 VanDerWaalsContact CB-CD2 3.42Å; D9-F11 HydrophobicContact CB-CE2 3.39Å; D9-F11 HydrophobicContact CB-CG 4.08Å; D9-F11 HydrophobicContact CB-CZ 4.05Å; D9-F11 PolarHBondContact O-N 3.48Å; D9-F11 VanDerWaalsContact OD2-CE2 3.26Å; D9-F11 WeakPolarHBondContact OD2-CE2 3.49Å; F11-K17 CarbonylContact C-O 3.31Å; F11-K17 VanDerWaalsContact CA-O 3.22Å; F11-K17 WeakPolarHBondContact CA-O 3.48Å; F11-K17 WeakPolarHBondContact CB-O 3.4Å; F11-F18 VanDerWaalsContact CD1-C 3.44Å; F11-F18 WeakPolarHBondContact CD1-O 3.48Å; F11-S19 VanDerWaalsContact CE1-CA 3.46Å; F11-S19 VanDerWaalsContact CE2-CB 3.47Å; F11-S19 VanDerWaalsContact CZ-CA 3.46Å
12D91.2Very high76.2Confident67 Ų67100 Ų10036%0.35854%0.54SS..BIsolated β-bridgetrans-135.7112.8177.6-168-21.7000108.2S14 E15 L16 K17D12-S14 PolarHBondContact O-N 2.91Å; D12-S14 WeakPolarHBondContact OD1-CA 3.09Å; D12-S14 VanDerWaalsContact OD1-CB 3.26Å; D12-S14 WeakPolarHBondContact OD1-CB 3.29Å; D12-S14 PolarHBondContact OD1-N 2.9Å; D12-S14 PolarHBondContact OD1-OG 3.15Å; D12-S14 PolarHBondContact OD2-OG 2.9Å; D12-S14 VanDerWaalsContact OD2-OG 3.06Å; D12-E15 HydrophobicContact CB-CB 4.25Å; D12-E15 HydrophobicContact CB-CG 4.24Å; D12-E15 CarbonylContact O-C 3.47Å; D12-E15 PolarHBondContact O-N 3.09Å; D12-L16 PolarHBondContact O-N 3.44Å; D12-L16 VanDerWaalsContact O-N 3.11Å; D12-K17 PolarHBondContact N-O 3.4Å; D12-K17 PolarHBondContact O-N 3.29Å
13A90.9Very high78Confident39 Ų3999.7 Ų99.732%0.32253%0.526SS..G310 helixtrans-65-24.817800000112E15 L16 F18 F92A13-E15 PolarHBondContact O-N 3.25Å; A13-L16 PolarHBondContact O-N 3.08Å; A13-F18 HydrophobicContact CB-CE1 3.99Å; A13-F18 HydrophobicContact CB-CZ 4.18Å; A13-F92 HydrophobicContact CB-CE1 4.12Å; A13-F92 HydrophobicContact CB-CZ 4.04Å
14S91.5Very high79.9Confident44 Ų4498.1 Ų98.131%0.30852%0.523SS..G310 helixtrans-67.1-27.4172.371.80000112.4D12 S114D12-S14 PolarHBondContact O-N 2.91Å; D12-S14 WeakPolarHBondContact OD1-CA 3.09Å; D12-S14 VanDerWaalsContact OD1-CB 3.26Å; D12-S14 WeakPolarHBondContact OD1-CB 3.29Å; D12-S14 PolarHBondContact OD1-N 2.9Å; D12-S14 PolarHBondContact OD1-OG 3.15Å; D12-S14 PolarHBondContact OD2-OG 2.9Å; D12-S14 VanDerWaalsContact OD2-OG 3.06Å; S14-S114 WeakPolarHBondContact O-CA 3.04Å; S14-S114 VanDerWaalsContact O-CB 3.26Å; S14-S114 WeakPolarHBondContact O-CB 3.31Å; S14-S114 PolarHBondContact O-N 2.89Å
15E92.2Very high81.7Confident113 Ų11391.2 Ų91.253%0.52849%0.494SS..G310 helixtrans-100.37.4175.5-57.7-168161.500112.6D12 A13 K17D12-E15 HydrophobicContact CB-CB 4.25Å; D12-E15 HydrophobicContact CB-CG 4.24Å; D12-E15 CarbonylContact O-C 3.47Å; D12-E15 PolarHBondContact O-N 3.09Å; A13-E15 PolarHBondContact O-N 3.25Å; E15-K17 HydrophobicContact CB-CD 4.17Å; E15-K17 HydrophobicContact CB-CG 4.07Å; E15-K17 PolarHBondContact O-N 2.98Å; E15-K17 WeakPolarHBondContact OE2-CD 3.42Å; E15-K17 WeakPolarHBondContact OE2-CE 3.31Å; E15-K17 IonicContact OE2-NZ 2.7Å; E15-K17 PolarHBondContact OE2-NZ 3.33Å
16L93.1Very high83.8Confident40 Ų4090.6 Ų90.621%0.20950%0.496CS..THydrogen-bonded Turntrans54.828.9-172.5-56.1174.6000113.7D12 A13 F18 H90 F92 E93D12-L16 PolarHBondContact O-N 3.44Å; D12-L16 VanDerWaalsContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 3.08Å; L16-F18 HydrophobicContact CB-CE2 4.18Å; L16-F18 HydrophobicContact CD2-CE2 4.17Å; L16-F18 HydrophobicContact CD2-CZ 4.46Å; L16-F18 WeakPolarHBondContact O-CD2 3.48Å; L16-H90 HydrophobicContact CD1-CB 3.84Å; L16-H90 HydrophobicContact CD2-CB 4.1Å; L16-F92 HydrophobicContact CD2-CD1 4.03Å; L16-E93 HydrophobicContact CD2-CG 3.83Å
17K92.8Very high85.7Confident76 Ų7688.1 Ų88.133%0.3347%0.472SS..BIsolated β-bridgetrans-92.1107.7175.3-68.6178.4-179.9170.30109.4D10 F11 D12 E15D10-K17 VanDerWaalsContact O-CD 3.27Å; D10-K17 WeakPolarHBondContact O-CD 3.41Å; D10-K17 IonicContact OD1-NZ 3.79Å; D10-K17 IonicContact OD2-NZ 3.02Å; D10-K17 PolarHBondContact OD2-NZ 3.3Å; F11-K17 CarbonylContact C-O 3.31Å; F11-K17 VanDerWaalsContact CA-O 3.22Å; F11-K17 WeakPolarHBondContact CA-O 3.48Å; F11-K17 WeakPolarHBondContact CB-O 3.4Å; D12-K17 PolarHBondContact N-O 3.4Å; D12-K17 PolarHBondContact O-N 3.29Å; E15-K17 HydrophobicContact CB-CD 4.17Å; E15-K17 HydrophobicContact CB-CG 4.07Å; E15-K17 PolarHBondContact O-N 2.98Å; E15-K17 WeakPolarHBondContact OE2-CD 3.42Å; E15-K17 WeakPolarHBondContact OE2-CE 3.31Å; E15-K17 IonicContact OE2-NZ 2.7Å; E15-K17 PolarHBondContact OE2-NZ 3.33Å
18F91.7Very high87.6Confident49 Ų4988.3 Ų88.322%0.21547%0.47CS..  trans-113.3163.2178.1-59.3-82000111.1F11 A13 L16 F22 H90 F92F11-F18 VanDerWaalsContact CD1-C 3.44Å; F11-F18 WeakPolarHBondContact CD1-O 3.48Å; A13-F18 HydrophobicContact CB-CE1 3.99Å; A13-F18 HydrophobicContact CB-CZ 4.18Å; L16-F18 HydrophobicContact CB-CE2 4.18Å; L16-F18 HydrophobicContact CD2-CE2 4.17Å; L16-F18 HydrophobicContact CD2-CZ 4.46Å; L16-F18 WeakPolarHBondContact O-CD2 3.48Å; F18-F22 HydrophobicContact CB-CB 3.98Å; F18-H90 AromaticContact CD2-CE1 4Å; F18-H90 AromaticContact CE2-CE1 3.56Å; F18-F92 HydrophobicContact CE1-CD2 4.29Å; F18-F92 HydrophobicContact CE1-CG 4.25Å; F18-F92 HydrophobicContact CE2-CB 4.18Å; F18-F92 HydrophobicContact CE2-CG 4.49Å; F18-F92 HydrophobicContact CZ-CB 3.7Å; F18-F92 AromaticContact CZ-CD1 3.84Å; F18-F92 HydrophobicContact CZ-CD1 3.84Å; F18-F92 HydrophobicContact CZ-CD2 4.09Å; F18-F92 AromaticContact CZ-CG 3.59Å; F18-F92 HydrophobicContact CZ-CG 3.59Å
19S90.5Very high89.6Confident24 Ų2483.5 Ų83.517%0.16843%0.43CS..  trans-63.4160.9171.375.10000111F11 D21 F22 E23F11-S19 VanDerWaalsContact CE1-CA 3.46Å; F11-S19 VanDerWaalsContact CE2-CB 3.47Å; F11-S19 VanDerWaalsContact CZ-CA 3.46Å; S19-D21 PolarHBondContact O-N 3Å; S19-F22 CarbonylContact O-C 3.38Å; S19-F22 PolarHBondContact O-N 3.25Å; S19-F22 WeakPolarHBondContact OG-CD2 3.2Å; S19-E23 PolarHBondContact O-N 3.11Å
20K87.9Confident91.1Very high183 Ų18380.8 Ų80.880%0.79642%0.415SS*.THydrogen-bonded Turntrans-56.5-26.6179.2-64.8-177.1179.4179.40113.5F22K20-F22 VanDerWaalsContact C-N 3.26Å; K20-F22 PolarHBondContact O-N 3.42Å
21D87.8Confident91.8Very high139 Ų13975.4 Ų75.474%0.74339%0.387SS*.THydrogen-bonded Turntrans-70.6-25177.2-60.3-30.9000112.2S19S19-D21 PolarHBondContact O-N 3Å
22F89.8Confident92.3Very high130 Ų13071.6 Ų71.657%0.5737%0.37SS*.THydrogen-bonded Turntrans-116.8-10.5-176.4-64.5-66.6000114.6F18 S19 K20 N24 A25F18-F22 HydrophobicContact CB-CB 3.98Å; S19-F22 CarbonylContact O-C 3.38Å; S19-F22 PolarHBondContact O-N 3.25Å; S19-F22 WeakPolarHBondContact OG-CD2 3.2Å; K20-F22 VanDerWaalsContact C-N 3.26Å; K20-F22 PolarHBondContact O-N 3.42Å; F22-N24 PolarHBondContact O-N 2.84Å; F22-N24 VanDerWaalsContact O-N 3.15Å; F22-A25 HydrophobicContact CB-CB 4.42Å; F22-A25 HydrophobicContact CD1-CB 4.05Å; F22-A25 PolarHBondContact O-N 3.06Å
23E86.9Confident92.6Very high113 Ų11370 Ų7053%0.52836%0.364SS..THydrogen-bonded Turntrans-52.6-38-178.2-176.1177.7-164.900112.8S19S19-E23 PolarHBondContact O-N 3.11Å
24N86.8Confident92.9Very high141 Ų14169.4 Ų69.475%0.75435%0.353SS*.THydrogen-bonded Turntrans-119.319.1177.6-59.9-72.7000112.3F22F22-N24 PolarHBondContact O-N 2.84Å; F22-N24 VanDerWaalsContact O-N 3.15Å
25A91.2Very high93.1Very high33 Ų3369.9 Ų69.927%0.27335%0.352SS..  trans-74.9138.4-179.800000110.8F22 N91F22-A25 HydrophobicContact CB-CB 4.42Å; F22-A25 HydrophobicContact CD1-CB 4.05Å; F22-A25 PolarHBondContact O-N 3.06Å; A25-N91 PolarHBondContact O-ND2 2.84Å
26D93Very high93.3Very high141 Ų14169.4 Ų69.475%0.75435%0.352SS*.  trans-73.4151.7165.8-69.9-41.4000110.5N91D26-N91 PolarHBondContact OD1-ND2 2.81Å
27T95.5Very high93.4Very high36 Ų3668.8 Ų68.822%0.22135%0.349CS..  trans-115.5149177.858.20000110.6R81 N91T27-R81 PolarHBondContact O-NH2 3.21Å; T27-N91 HydrophobicContact CG2-CB 3.89Å; T27-N91 WeakPolarHBondContact OG1-CB 3.27Å; T27-N91 PolarHBondContact OG1-O 3.48Å
28L96.7Very high93.5Very high84 Ų8468.7 Ų68.744%0.4435%0.35SS..  trans-112.5132.1172.4-61.5178000109E32 V33 L36L28-E32 HydrophobicContact CB-CG 4.07Å; L28-E32 HydrophobicContact CD2-CG 4.09Å; L28-V33 HydrophobicContact CB-CG2 3.61Å; L28-V33 HydrophobicContact CD1-CG2 4.05Å; L28-L36 HydrophobicContact CD1-CD1 3.73Å
29M96.8Very high93.7Very high0 Ų071.1 Ų71.10%036%0.362CS..  trans-64.4156.5163.1-56.8176.7-126.300109.7A31 E32 V33 R81 L94 A98M29-A31 PolarHBondContact O-N 2.94Å; M29-A31 VanDerWaalsContact O-N 3.15Å; M29-E32 HydrophobicContact CB-CG 4.03Å; M29-E32 WeakPolarHBondContact CB-OE2 3.29Å; M29-E32 VanDerWaalsContact CG-OE2 3.26Å; M29-E32 WeakPolarHBondContact CG-OE2 3.38Å; M29-E32 PolarHBondContact N-OE2 3.32Å; M29-E32 WeakPolarHBondContact O-CG 3.4Å; M29-E32 PolarHBondContact O-N 3.33Å; M29-E32 VanDerWaalsContact O-N 3.17Å; M29-V33 WeakPolarHBondContact O-CG2 3.21Å; M29-V33 PolarHBondContact O-N 2.87Å; M29-R81 HydrophobicContact CE-CB 3.52Å; M29-R81 HydrophobicContact CE-CG 4.22Å; M29-L94 HydrophobicContact CE-CD2 3.87Å; M29-L94 HydrophobicContact CG-CD2 4.34Å; M29-A98 HydrophobicContact CG-CB 3.81Å; M29-A98 HydrophobicContact SD-CB 3.43Å; M29-A98 WeakPolarHBondContact SD-CB 3.34Å
30L97.7Very high93.8Very high31 Ų3174.4 Ų74.416%0.16237%0.37CS..Hα-helixtrans-56.1-34.8174.4-64.1176.8000111.7E32 V33 K34 Y64 V65 F68 N99L30-E32 PolarHBondContact O-N 3.29Å; L30-V33 PolarHBondContact O-N 2.67Å; L30-K34 WeakPolarHBondContact O-CB 3.36Å; L30-K34 PolarHBondContact O-N 3.27Å; L30-Y64 HydrophobicContact CD1-CE1 4.1Å; L30-Y64 HydrophobicContact CD2-CD1 4.28Å; L30-Y64 HydrophobicContact CD2-CE1 3.85Å; L30-V65 HydrophobicContact CB-CG1 4.45Å; L30-V65 HydrophobicContact CD2-CG1 4.02Å; L30-F68 HydrophobicContact CD1-CB 3.93Å; L30-N99 HydrophobicContact CD1-CB 4.35Å; L30-N99 HydrophobicContact CG-CB 4.46Å; L30-N99 WeakPolarHBondContact CG-OD1 3.3Å; L30-N99 PolarHBondContact N-OD1 3.04Å
31A96.3Very high93.9Very high2 Ų269.6 Ų69.62%0.01735%0.35CS..Hα-helixtrans-62.9-37.6-179.600000113.8M29 K34 I35 S69 F71 I77M29-A31 PolarHBondContact O-N 2.94Å; M29-A31 VanDerWaalsContact O-N 3.15Å; A31-K34 WeakPolarHBondContact O-CB 3.31Å; A31-I35 WeakPolarHBondContact O-CG1 3.48Å; A31-I35 PolarHBondContact O-N 2.98Å; A31-S69 WeakPolarHBondContact CA-OG 3.32Å; A31-S69 WeakPolarHBondContact CB-OG 3.29Å; A31-S69 PolarHBondContact N-OG 2.77Å; A31-F71 HydrophobicContact CB-CB 3.91Å; A31-F71 HydrophobicContact CB-CD2 4.31Å; A31-I77 HydrophobicContact CB-CD1 3.61Å; A31-I77 HydrophobicContact CB-CG1 3.74Å; A31-I77 HydrophobicContact CB-CG2 4.49Å
32E97.2Very high94.1Very high18 Ų1868.1 Ų68.18%0.08434%0.338CS..Hα-helixtrans-90-26.4179.652.3-154.6-13.100112.4L28 M29 L30 K34 I35 L36 I77 R81L28-E32 HydrophobicContact CB-CG 4.07Å; L28-E32 HydrophobicContact CD2-CG 4.09Å; M29-E32 HydrophobicContact CB-CG 4.03Å; M29-E32 WeakPolarHBondContact CB-OE2 3.29Å; M29-E32 VanDerWaalsContact CG-OE2 3.26Å; M29-E32 WeakPolarHBondContact CG-OE2 3.38Å; M29-E32 PolarHBondContact N-OE2 3.32Å; M29-E32 WeakPolarHBondContact O-CG 3.4Å; M29-E32 PolarHBondContact O-N 3.33Å; M29-E32 VanDerWaalsContact O-N 3.17Å; L30-E32 PolarHBondContact O-N 3.29Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 PolarHBondContact O-N 3.47Å; E32-I35 PolarHBondContact O-N 3.14Å; E32-L36 VanDerWaalsContact O-CG 3.31Å; E32-L36 WeakPolarHBondContact O-CG 3.39Å; E32-L36 PolarHBondContact O-N 3.01Å; E32-I77 HydrophobicContact CB-CG2 4.31Å; E32-R81 IonicContact OE1-CZ 3.71Å; E32-R81 IonicContact OE1-NE 2.67Å; E32-R81 IonicContact OE1-NH1 3.13Å; E32-R81 PolarHBondContact OE1-NH1 3.11Å; E32-R81 IonicContact OE1-NH2 2.92Å; E32-R81 PolarHBondContact OE1-NH2 2.89Å; E32-R81 VanDerWaalsContact OE1-NH2 3.08Å; E32-R81 IonicContact OE2-CZ 3.6Å; E32-R81 IonicContact OE2-NE 2.59Å; E32-R81 IonicContact OE2-NH1 3.08Å; E32-R81 IonicContact OE2-NH2 2.83Å; E32-R81 PolarHBondContact OE2-NH2 2.84Å
33V97.5Very high94.1Very high35 Ų3566.4 Ų66.421%0.21233%0.332CS..Hα-helixtrans-58.1-43.5161179.50000110.1L28 M29 L30 I35 L36 L37 V65L28-V33 HydrophobicContact CB-CG2 3.61Å; L28-V33 HydrophobicContact CD1-CG2 4.05Å; M29-V33 WeakPolarHBondContact O-CG2 3.21Å; M29-V33 PolarHBondContact O-N 2.87Å; L30-V33 PolarHBondContact O-N 2.67Å; V33-I35 PolarHBondContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 3.4Å; V33-L37 HydrophobicContact CG1-CD1 3.83Å; V33-L37 HydrophobicContact CG1-CG 4.13Å; V33-L37 VanDerWaalsContact O-CG 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 3.48Å; V33-V65 HydrophobicContact CB-CG1 4.15Å; V33-V65 HydrophobicContact CG1-CG1 3.87Å
34K97.1Very high94.2Very high25 Ų2561.8 Ų61.811%0.10931%0.311CS..Hα-helixtrans-56.6-50.8175.6-179-174.8168.6-178.10111.6L30 A31 E32 L36 L37 E38 V65 N72L30-K34 WeakPolarHBondContact O-CB 3.36Å; L30-K34 PolarHBondContact O-N 3.27Å; A31-K34 WeakPolarHBondContact O-CB 3.31Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 PolarHBondContact O-N 3.47Å; K34-L36 VanDerWaalsContact C-N 3.29Å; K34-L36 PolarHBondContact O-N 2.94Å; K34-L37 PolarHBondContact O-N 2.99Å; K34-E38 VanDerWaalsContact CE-CD 3.46Å; K34-E38 WeakPolarHBondContact CE-OE1 3.27Å; K34-E38 HydrophobicContact CG-CG 4.23Å; K34-E38 IonicContact NZ-OE1 3.73Å; K34-E38 WeakPolarHBondContact O-CB 3.49Å; K34-E38 WeakPolarHBondContact O-CG 3.29Å; K34-E38 PolarHBondContact O-N 3.1Å; K34-V65 HydrophobicContact CB-CB 4Å; K34-V65 HydrophobicContact CB-CG2 3.63Å; K34-V65 HydrophobicContact CG-CG2 4.09Å; K34-N72 PolarHBondContact NZ-OD1 3.23Å
35I95.9Very high94.2Very high55 Ų5560.3 Ų60.328%0.28230%0.3SS..Hα-helixtrans-54.8-46177.1-69.6168.7000111.3A31 E32 V33 H39 R74 I77A31-I35 WeakPolarHBondContact O-CG1 3.48Å; A31-I35 PolarHBondContact O-N 2.98Å; E32-I35 PolarHBondContact O-N 3.14Å; V33-I35 PolarHBondContact O-N 3.13Å; I35-H39 WeakPolarHBondContact O-CB 3.38Å; I35-H39 PolarHBondContact O-N 3.33Å; I35-R74 HydrophobicContact CD1-CB 4.48Å; I35-R74 HydrophobicContact CD1-CG 4.4Å; I35-I77 HydrophobicContact CD1-CD1 3.58Å; I35-I77 HydrophobicContact CG1-CD1 4.47Å
36L96.4Very high94Very high102 Ų10265.2 Ų65.253%0.53432%0.321SS..Hα-helixtrans-64.5-42-179.7-68.4171.8000112.2L28 E32 V33 K34 R40L28-L36 HydrophobicContact CD1-CD1 3.73Å; E32-L36 VanDerWaalsContact O-CG 3.31Å; E32-L36 WeakPolarHBondContact O-CG 3.39Å; E32-L36 PolarHBondContact O-N 3.01Å; V33-L36 PolarHBondContact O-N 3.4Å; K34-L36 VanDerWaalsContact C-N 3.29Å; K34-L36 PolarHBondContact O-N 2.94Å; L36-R40 WeakPolarHBondContact O-CB 3.2Å; L36-R40 PolarHBondContact O-N 2.9Å
37L96.7Very high93.5Very high28 Ų2859.6 Ų59.615%0.14730%0.295CS..Hα-helixtrans-71.8-39.9179.6-65.1179.8000112V33 K34 R40 K41 F58 T61 L62 V65V33-L37 HydrophobicContact CG1-CD1 3.83Å; V33-L37 HydrophobicContact CG1-CG 4.13Å; V33-L37 VanDerWaalsContact O-CG 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 3.48Å; K34-L37 PolarHBondContact O-N 2.99Å; L37-R40 PolarHBondContact O-N 3.06Å; L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 PolarHBondContact O-N 3.36Å; L37-F58 HydrophobicContact CB-CE2 4.38Å; L37-F58 HydrophobicContact CB-CZ 4.15Å; L37-F58 HydrophobicContact CD2-CD2 3.8Å; L37-F58 HydrophobicContact CD2-CE2 3.42Å; L37-F58 VanDerWaalsContact CD2-CE2 3.42Å; L37-F58 HydrophobicContact CD2-CZ 4.05Å; L37-F58 HydrophobicContact CG-CE2 4.47Å; L37-F58 WeakPolarHBondContact O-CZ 3.37Å; L37-T61 HydrophobicContact CD1-CG2 3.68Å; L37-L62 HydrophobicContact CB-CB 4.49Å; L37-L62 HydrophobicContact CB-CD1 3.86Å; L37-L62 HydrophobicContact CD1-CB 4.25Å; L37-V65 HydrophobicContact CD1-CG2 4.09Å
38E95Very high92.3Very high73 Ų7365.2 Ų65.234%0.34133%0.329SS..Hα-helixtrans-61.2-46.2173.9-73.8177153.300110.5K34 R40 K41 E42 L62K34-E38 VanDerWaalsContact CE-CD 3.46Å; K34-E38 WeakPolarHBondContact CE-OE1 3.27Å; K34-E38 HydrophobicContact CG-CG 4.23Å; K34-E38 IonicContact NZ-OE1 3.73Å; K34-E38 WeakPolarHBondContact O-CB 3.49Å; K34-E38 WeakPolarHBondContact O-CG 3.29Å; K34-E38 PolarHBondContact O-N 3.1Å; E38-R40 PolarHBondContact O-N 3.21Å; E38-K41 WeakPolarHBondContact O-CB 2.94Å; E38-K41 PolarHBondContact O-N 3.08Å; E38-K41 VanDerWaalsContact O-N 3.15Å; E38-E42 WeakPolarHBondContact O-CG 3.39Å; E38-E42 PolarHBondContact O-N 3.35Å; E38-L62 HydrophobicContact CG-CD1 3.98Å
39H94.2Very high91.2Very high100 Ų10067.9 Ų67.946%0.46334%0.342SS..Hα-helixtrans-60.6-43176.3-17260.1000112.5I35 K41 E42 Q43I35-H39 WeakPolarHBondContact O-CB 3.38Å; I35-H39 PolarHBondContact O-N 3.33Å; H39-K41 VanDerWaalsContact C-N 3.33Å; H39-K41 PolarHBondContact O-N 2.83Å; H39-E42 PolarHBondContact O-N 3.31Å; H39-Q43 PolarHBondContact CD2-NE2 3.36Å; H39-Q43 PolarHBondContact NE2-NE2 3.49Å; H39-Q43 WeakPolarHBondContact O-CG 3.48Å; H39-Q43 PolarHBondContact O-N 2.94Å
40R92.7Very high89.6Confident93 Ų9375.4 Ų75.435%0.35138%0.377SS..Hα-helixtrans-64.6-38.3176.3177.856.8-179.9129.4-4.3111.9L36 L37 E38 Q43 N44 E51 F58L36-R40 WeakPolarHBondContact O-CB 3.2Å; L36-R40 PolarHBondContact O-N 2.9Å; L37-R40 PolarHBondContact O-N 3.06Å; E38-R40 PolarHBondContact O-N 3.21Å; R40-Q43 PolarHBondContact O-N 3.02Å; R40-N44 PolarHBondContact O-N 2.98Å; R40-E51 IonicContact CZ-OE2 3.36Å; R40-E51 IonicContact NH1-OE2 2.89Å; R40-E51 PolarHBondContact NH1-OE2 3.46Å; R40-E51 IonicContact NH2-OE2 2.84Å; R40-E51 PolarHBondContact NH2-OE2 2.89Å; R40-F58 HydrophobicContact CB-CE2 4.03Å; R40-F58 HydrophobicContact CB-CZ 4.12Å; R40-F58 HydrophobicContact CG-CE2 3.75Å; R40-F58 HydrophobicContact CG-CZ 4.09Å
41K91.8Very high87.9Confident82 Ų8278.2 Ų78.236%0.35739%0.389SS..Hα-helixtrans-63.3-47.7176.2178.9-177.4166-170.70110.8L37 E38 H39 Q43 N44 E45 L54 F58 L62L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 PolarHBondContact O-N 3.36Å; E38-K41 WeakPolarHBondContact O-CB 2.94Å; E38-K41 PolarHBondContact O-N 3.08Å; E38-K41 VanDerWaalsContact O-N 3.15Å; H39-K41 VanDerWaalsContact C-N 3.33Å; H39-K41 PolarHBondContact O-N 2.83Å; K41-Q43 VanDerWaalsContact C-N 3.33Å; K41-Q43 PolarHBondContact O-N 2.88Å; K41-N44 WeakPolarHBondContact O-CB 3.41Å; K41-N44 PolarHBondContact O-N 2.96Å; K41-N44 VanDerWaalsContact O-N 3.09Å; K41-E45 WeakPolarHBondContact CE-OE1 3.33Å; K41-E45 IonicContact NZ-OE1 3.86Å; K41-E45 WeakPolarHBondContact O-CG 3.31Å; K41-E45 PolarHBondContact O-N 3.17Å; K41-L54 HydrophobicContact CB-CD1 4.39Å; K41-L54 HydrophobicContact CG-CD1 4.09Å; K41-F58 HydrophobicContact CB-CE1 4.28Å; K41-F58 HydrophobicContact CB-CZ 4.3Å; K41-L62 HydrophobicContact CD-CD2 3.77Å
42E91.7Very high86.5Confident108 Ų10885.7 Ų85.751%0.50543%0.428SS..Hα-helixtrans-59.2-42.2176.6-72174.4179.100112.1E38 H39 N44 E45 N46E38-E42 WeakPolarHBondContact O-CG 3.39Å; E38-E42 PolarHBondContact O-N 3.35Å; H39-E42 PolarHBondContact O-N 3.31Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.23Å; E42-E45 PolarHBondContact O-N 3.23Å; E42-N46 WeakPolarHBondContact O-CB 3.25Å; E42-N46 PolarHBondContact O-N 3.19Å; E42-N46 PolarHBondContact O-ND2 3.46Å
43Q89.9Confident85.5Confident94 Ų9494 Ų9444%0.43947%0.467SS..Hα-helixtrans-60.8-40.7174.6-73.7179.4-10.800112.1H39 R40 K41 N46 A47H39-Q43 PolarHBondContact CD2-NE2 3.36Å; H39-Q43 PolarHBondContact NE2-NE2 3.49Å; H39-Q43 WeakPolarHBondContact O-CG 3.48Å; H39-Q43 PolarHBondContact O-N 2.94Å; R40-Q43 PolarHBondContact O-N 3.02Å; K41-Q43 VanDerWaalsContact C-N 3.33Å; K41-Q43 PolarHBondContact O-N 2.88Å; Q43-N46 PolarHBondContact O-N 2.64Å; Q43-A47 PolarHBondContact O-N 2.84Å; Q43-A47 VanDerWaalsContact O-N 3.15Å
44N88Confident85Confident17 Ų1794.5 Ų94.59%0.09147%0.468CS..Hα-helixtrans-66.7-39.5179.1-160.690.6000112R40 K41 E42 E51 L54R40-N44 PolarHBondContact O-N 2.98Å; K41-N44 WeakPolarHBondContact O-CB 3.41Å; K41-N44 PolarHBondContact O-N 2.96Å; K41-N44 VanDerWaalsContact O-N 3.09Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.23Å; N44-E51 PolarHBondContact ND2-O 3.22Å; N44-E51 WeakPolarHBondContact OD1-CB 3.46Å; N44-E51 PolarHBondContact OD1-O 2.9Å; N44-L54 HydrophobicContact CB-CD2 4.29Å
45E87.7Confident84.7Confident109 Ų10996.2 Ų96.251%0.50948%0.484SS..Hα-helixtrans-69.6-34.4178.5-71.3174.7172.600112.4K41 E42K41-E45 WeakPolarHBondContact CE-OE1 3.33Å; K41-E45 IonicContact NZ-OE1 3.86Å; K41-E45 WeakPolarHBondContact O-CG 3.31Å; K41-E45 PolarHBondContact O-N 3.17Å; E42-E45 PolarHBondContact O-N 3.23Å
46N86.3Confident84.6Confident136 Ų13698.3 Ų98.373%0.72750%0.5SS*.Hα-helixtrans-86.1-6.7179.2-69.8-54.3000114.2E42 Q43E42-N46 WeakPolarHBondContact O-CB 3.25Å; E42-N46 PolarHBondContact O-N 3.19Å; E42-N46 PolarHBondContact O-ND2 3.46Å; Q43-N46 PolarHBondContact O-N 2.64Å
47A81.5Confident84.6Confident24 Ų2498.3 Ų98.320%0.19851%0.505CS..  trans-69.2131.8179.900000111.5Q43 I49 E51Q43-A47 PolarHBondContact O-N 2.84Å; Q43-A47 VanDerWaalsContact O-N 3.15Å; A47-I49 CarbonylContact C-O 3.51Å; A47-I49 WeakPolarHBondContact CB-O 3.34Å; A47-I49 CarbonylContact O-C 3.47Å; A47-I49 PolarHBondContact O-N 3.25Å; A47-E51 HydrophobicContact CB-CG 4.22Å
48T72.1Confident84.5Confident153 Ų15398.4 Ų98.494%0.93950%0.504SS*.SBendtrans-59-34.4-176.1-47.20000113.4
49I72.8Confident84.4Confident140 Ų14097.8 Ų97.872%0.71851%0.505SS*.SBendtrans-99.8118163.9-59.8166.9000102.5A47 E51A47-I49 CarbonylContact C-O 3.51Å; A47-I49 WeakPolarHBondContact CB-O 3.34Å; A47-I49 CarbonylContact O-C 3.47Å; A47-I49 PolarHBondContact O-N 3.25Å; I49-E51 VanDerWaalsContact C-N 3.27Å; I49-E51 PolarHBondContact O-N 3.11Å
50H62.6Low84.6Confident159 Ų159100.3 Ų100.374%0.73652%0.515SS*.  trans-51.8102.1170.8-81.7-6.4000107.2L52H50-L52 PolarHBondContact O-N 3.02Å
51E62.1Low84.9Confident89 Ų8998.5 Ų98.542%0.41651%0.514SS..  trans-60.2137.1176.4-84.8-169.2172.500106.3R40 N44 A47 I49R40-E51 IonicContact CZ-OE2 3.36Å; R40-E51 IonicContact NH1-OE2 2.89Å; R40-E51 PolarHBondContact NH1-OE2 3.46Å; R40-E51 IonicContact NH2-OE2 2.84Å; R40-E51 PolarHBondContact NH2-OE2 2.89Å; N44-E51 PolarHBondContact ND2-O 3.22Å; N44-E51 WeakPolarHBondContact OD1-CB 3.46Å; N44-E51 PolarHBondContact OD1-O 2.9Å; A47-E51 HydrophobicContact CB-CG 4.22Å; I49-E51 VanDerWaalsContact C-N 3.27Å; I49-E51 PolarHBondContact O-N 3.11Å
52L67.1Low85.1Confident159 Ų15995.4 Ų95.483%0.83250%0.502SS*.SBendtrans-6.9127.3169.9-65.2158.8000113.8H50 L54H50-L52 PolarHBondContact O-N 3.02Å; L52-L54 PolarHBondContact O-N 3.31Å; L52-L54 VanDerWaalsContact O-N 3.08Å
53E77.1Confident85.4Confident193 Ų19395 Ų9590%0.90250%0.503SS*.  trans-40.7121.8172.2-68.3-173.2158.800110.5S55E53-S55 PolarHBondContact O-N 2.61Å
54L85.8Confident85.8Confident46 Ų4696.4 Ų96.424%0.24151%0.505CS..  trans-53.9131.3-179.7-69.8168.2000108.9K41 N44 L52 F58K41-L54 HydrophobicContact CB-CD1 4.39Å; K41-L54 HydrophobicContact CG-CD1 4.09Å; N44-L54 HydrophobicContact CB-CD2 4.29Å; L52-L54 PolarHBondContact O-N 3.31Å; L52-L54 VanDerWaalsContact O-N 3.08Å; L54-F58 HydrophobicContact CB-CD1 3.91Å; L54-F58 HydrophobicContact CB-CE1 4.49Å; L54-F58 HydrophobicContact CB-CG 4.39Å; L54-F58 HydrophobicContact CD1-CD1 3.91Å; L54-F58 HydrophobicContact CD1-CE1 3.66Å; L54-F58 HydrophobicContact CD1-CZ 4.45Å; L54-F58 HydrophobicContact CD2-CD1 3.98Å; L54-F58 HydrophobicContact CD2-CD2 4.48Å; L54-F58 HydrophobicContact CD2-CE1 3.97Å; L54-F58 HydrophobicContact CD2-CE2 4.44Å; L54-F58 HydrophobicContact CD2-CG 4.24Å; L54-F58 HydrophobicContact CD2-CZ 4.18Å; L54-F58 HydrophobicContact CG-CD1 4.16Å; L54-F58 HydrophobicContact CG-CE1 4.26Å
55S91.1Very high86.2Confident61 Ų6195.7 Ų95.743%0.42750%0.501SS..  trans-58.7150.8-171.977.10000111.2E53 V57 F58 T59E53-S55 PolarHBondContact O-N 2.61Å; S55-V57 PolarHBondContact O-N 3.06Å; S55-V57 VanDerWaalsContact O-N 3.07Å; S55-F58 WeakPolarHBondContact O-CB 3.44Å; S55-F58 PolarHBondContact O-N 2.83Å; S55-F58 PolarHBondContact OG-N 3.02Å; S55-F58 VanDerWaalsContact OG-N 3.13Å; S55-T59 PolarHBondContact O-N 2.9Å; S55-T59 VanDerWaalsContact O-N 3.07Å; S55-T59 PolarHBondContact O-OG1 3.36Å
56P93.8Very high86.6Confident98 Ų9893.6 Ų93.664%0.63650%0.496SS*.Hα-helixtrans-55.7-29.9175.8-27.635.1000113.4K60P56-K60 WeakPolarHBondContact O-CB 3.48Å; P56-K60 WeakPolarHBondContact O-CG 3.2Å; P56-K60 PolarHBondContact O-N 2.88Å; P56-K60 VanDerWaalsContact O-N 3.07Å
57V95.8Very high87Confident103 Ų10394.1 Ų94.162%0.62449%0.494SS*.Hα-helixtrans-68.1-47.1174.7177.60000110.4S55 T59 K60 T61S55-V57 PolarHBondContact O-N 3.06Å; S55-V57 VanDerWaalsContact O-N 3.07Å; V57-T59 VanDerWaalsContact C-N 3.35Å; V57-T59 PolarHBondContact O-N 3.27Å; V57-K60 PolarHBondContact O-N 3.29Å; V57-T61 WeakPolarHBondContact O-CB 3.26Å; V57-T61 PolarHBondContact O-N 3.03Å; V57-T61 PolarHBondContact O-OG1 2.92Å
58F95.1Very high87.7Confident30 Ų3096.8 Ų96.813%0.13250%0.501CS..Hα-helixtrans-55.1-51176.5-177.9-81.6000111.3L37 R40 K41 L54 S55 K60 T61 L62L37-F58 HydrophobicContact CB-CE2 4.38Å; L37-F58 HydrophobicContact CB-CZ 4.15Å; L37-F58 HydrophobicContact CD2-CD2 3.8Å; L37-F58 HydrophobicContact CD2-CE2 3.42Å; L37-F58 VanDerWaalsContact CD2-CE2 3.42Å; L37-F58 HydrophobicContact CD2-CZ 4.05Å; L37-F58 HydrophobicContact CG-CE2 4.47Å; L37-F58 WeakPolarHBondContact O-CZ 3.37Å; R40-F58 HydrophobicContact CB-CE2 4.03Å; R40-F58 HydrophobicContact CB-CZ 4.12Å; R40-F58 HydrophobicContact CG-CE2 3.75Å; R40-F58 HydrophobicContact CG-CZ 4.09Å; K41-F58 HydrophobicContact CB-CE1 4.28Å; K41-F58 HydrophobicContact CB-CZ 4.3Å; L54-F58 HydrophobicContact CB-CD1 3.91Å; L54-F58 HydrophobicContact CB-CE1 4.49Å; L54-F58 HydrophobicContact CB-CG 4.39Å; L54-F58 HydrophobicContact CD1-CD1 3.91Å; L54-F58 HydrophobicContact CD1-CE1 3.66Å; L54-F58 HydrophobicContact CD1-CZ 4.45Å; L54-F58 HydrophobicContact CD2-CD1 3.98Å; L54-F58 HydrophobicContact CD2-CD2 4.48Å; L54-F58 HydrophobicContact CD2-CE1 3.97Å; L54-F58 HydrophobicContact CD2-CE2 4.44Å; L54-F58 HydrophobicContact CD2-CG 4.24Å; L54-F58 HydrophobicContact CD2-CZ 4.18Å; L54-F58 HydrophobicContact CG-CD1 4.16Å; L54-F58 HydrophobicContact CG-CE1 4.26Å; S55-F58 WeakPolarHBondContact O-CB 3.44Å; S55-F58 PolarHBondContact O-N 2.83Å; S55-F58 PolarHBondContact OG-N 3.02Å; S55-F58 VanDerWaalsContact OG-N 3.13Å; F58-K60 VanDerWaalsContact C-N 3.35Å; F58-K60 PolarHBondContact O-N 2.7Å; F58-T61 PolarHBondContact O-N 3.47Å; F58-L62 HydrophobicContact CE1-CD2 4.18Å; F58-L62 WeakPolarHBondContact O-CB 3.09Å; F58-L62 PolarHBondContact O-N 2.82Å
59T93.9Very high88.8Confident60 Ų6090.1 Ų90.137%0.36846%0.461SS..Hα-helixtrans-62.1-41.5-179.1-57.70000111.9S55 V57 N63S55-T59 PolarHBondContact O-N 2.9Å; S55-T59 VanDerWaalsContact O-N 3.07Å; S55-T59 PolarHBondContact O-OG1 3.36Å; V57-T59 VanDerWaalsContact C-N 3.35Å; V57-T59 PolarHBondContact O-N 3.27Å; T59-N63 WeakPolarHBondContact O-CB 3.37Å; T59-N63 PolarHBondContact O-N 2.88Å; T59-N63 PolarHBondContact O-ND2 2.88Å
60K98Very high89.7Confident152 Ų15286.8 Ų86.866%0.66144%0.441SS*.Hα-helixtrans-65.1-43.7175.9-75.7174.7-179-176.90112.1P56 V57 F58 N63 Y64P56-K60 WeakPolarHBondContact O-CB 3.48Å; P56-K60 WeakPolarHBondContact O-CG 3.2Å; P56-K60 PolarHBondContact O-N 2.88Å; P56-K60 VanDerWaalsContact O-N 3.07Å; V57-K60 PolarHBondContact O-N 3.29Å; F58-K60 VanDerWaalsContact C-N 3.35Å; F58-K60 PolarHBondContact O-N 2.7Å; K60-N63 PolarHBondContact O-N 3.39Å; K60-Y64 WeakPolarHBondContact O-CB 3.26Å; K60-Y64 PolarHBondContact O-N 3.45Å
61T97.9Very high91.1Very high56 Ų5679.3 Ų79.334%0.34441%0.407SS..Hα-helixtrans-64.3-44.9177.7-54.40000110.8L37 V57 F58 N63 Y64 V65L37-T61 HydrophobicContact CD1-CG2 3.68Å; V57-T61 WeakPolarHBondContact O-CB 3.26Å; V57-T61 PolarHBondContact O-N 3.03Å; V57-T61 PolarHBondContact O-OG1 2.92Å; F58-T61 PolarHBondContact O-N 3.47Å; T61-N63 VanDerWaalsContact C-N 3.35Å; T61-N63 PolarHBondContact O-N 2.95Å; T61-Y64 WeakPolarHBondContact O-CB 3.5Å; T61-Y64 PolarHBondContact O-N 3.31Å; T61-V65 HydrophobicContact CG2-CG1 4.45Å; T61-V65 WeakPolarHBondContact O-CG2 3.01Å; T61-V65 PolarHBondContact O-N 3.38Å
62L97.2Very high92.3Very high17 Ų1780.2 Ų80.29%0.08941%0.414CS..Hα-helixtrans-58.8-45.9176.3178.159.1000111.2L37 E38 K41 F58 Y64 V65 T66L37-L62 HydrophobicContact CB-CB 4.49Å; L37-L62 HydrophobicContact CB-CD1 3.86Å; L37-L62 HydrophobicContact CD1-CB 4.25Å; E38-L62 HydrophobicContact CG-CD1 3.98Å; K41-L62 HydrophobicContact CD-CD2 3.77Å; F58-L62 HydrophobicContact CE1-CD2 4.18Å; F58-L62 WeakPolarHBondContact O-CB 3.09Å; F58-L62 PolarHBondContact O-N 2.82Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 2.9Å; L62-V65 HydrophobicContact CD1-CG2 4.39Å; L62-V65 WeakPolarHBondContact O-CG2 3.27Å; L62-V65 PolarHBondContact O-N 2.84Å; L62-T66 VanDerWaalsContact O-CB 3.23Å; L62-T66 WeakPolarHBondContact O-CB 3.48Å; L62-T66 PolarHBondContact O-N 3.13Å; L62-T66 PolarHBondContact O-OG1 2.87Å
63N97.5Very high93.5Very high99 Ų9974.5 Ų74.553%0.52938%0.384SS..Hα-helixtrans-60.9-43.5176.7-71.8-15.9000111.7T59 K60 T61 T66 Q67T59-N63 WeakPolarHBondContact O-CB 3.37Å; T59-N63 PolarHBondContact O-N 2.88Å; T59-N63 PolarHBondContact O-ND2 2.88Å; K60-N63 PolarHBondContact O-N 3.39Å; T61-N63 VanDerWaalsContact C-N 3.35Å; T61-N63 PolarHBondContact O-N 2.95Å; N63-T66 PolarHBondContact O-N 2.97Å; N63-Q67 WeakPolarHBondContact O-CB 3.07Å; N63-Q67 PolarHBondContact O-N 3Å
64Y98Very high94.2Very high123 Ų12373.1 Ų73.148%0.48237%0.371SS..Hα-helixtrans-61.2-53.4177.7-177.7-90.1000111.5L30 K60 T61 L62 T66 Q67 F68L30-Y64 HydrophobicContact CD1-CE1 4.1Å; L30-Y64 HydrophobicContact CD2-CD1 4.28Å; L30-Y64 HydrophobicContact CD2-CE1 3.85Å; K60-Y64 WeakPolarHBondContact O-CB 3.26Å; K60-Y64 PolarHBondContact O-N 3.45Å; T61-Y64 WeakPolarHBondContact O-CB 3.5Å; T61-Y64 PolarHBondContact O-N 3.31Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 2.9Å; Y64-T66 VanDerWaalsContact C-N 3.26Å; Y64-T66 PolarHBondContact O-N 3.49Å; Y64-Q67 PolarHBondContact O-N 2.98Å; Y64-Q67 VanDerWaalsContact O-N 3.12Å; Y64-F68 HydrophobicContact CD1-CD2 4.25Å; Y64-F68 AromaticContact CD2-CD2 3.45Å; Y64-F68 HydrophobicContact CD2-CD2 3.45Å; Y64-F68 VanDerWaalsContact CD2-CD2 3.45Å; Y64-F68 AromaticContact CD2-CE2 3.63Å; Y64-F68 HydrophobicContact CD2-CE2 3.63Å; Y64-F68 HydrophobicContact CE1-CB 4.33Å; Y64-F68 HydrophobicContact CE1-CD2 4.21Å; Y64-F68 AromaticContact CE2-CD2 3.4Å; Y64-F68 HydrophobicContact CE2-CD2 3.4Å; Y64-F68 AromaticContact CE2-CE2 3.59Å; Y64-F68 HydrophobicContact CE2-CE2 3.59Å; Y64-F68 HydrophobicContact CE2-CG 4.19Å; Y64-F68 HydrophobicContact CE2-CZ 4.49Å; Y64-F68 AromaticContact CG-CD2 3.89Å; Y64-F68 HydrophobicContact CG-CD2 3.89Å; Y64-F68 HydrophobicContact CG-CE2 4.45Å; Y64-F68 AromaticContact CZ-CD2 3.8Å; Y64-F68 WeakPolarHBondContact O-CB 3.46Å; Y64-F68 VanDerWaalsContact O-CD2 3.27Å; Y64-F68 WeakPolarHBondContact O-CD2 3.49Å; Y64-F68 PolarHBondContact O-N 3.03Å
65V97.4Very high94.5Very high2 Ų278.1 Ų78.11%0.01239%0.393CS..Hα-helixtrans-66.8-30.4-178.8-58.80000112.3L30 V33 K34 L37 T61 L62 Q67 S69L30-V65 HydrophobicContact CB-CG1 4.45Å; L30-V65 HydrophobicContact CD2-CG1 4.02Å; V33-V65 HydrophobicContact CB-CG1 4.15Å; V33-V65 HydrophobicContact CG1-CG1 3.87Å; K34-V65 HydrophobicContact CB-CB 4Å; K34-V65 HydrophobicContact CB-CG2 3.63Å; K34-V65 HydrophobicContact CG-CG2 4.09Å; L37-V65 HydrophobicContact CD1-CG2 4.09Å; T61-V65 HydrophobicContact CG2-CG1 4.45Å; T61-V65 WeakPolarHBondContact O-CG2 3.01Å; T61-V65 PolarHBondContact O-N 3.38Å; L62-V65 HydrophobicContact CD1-CG2 4.39Å; L62-V65 WeakPolarHBondContact O-CG2 3.27Å; L62-V65 PolarHBondContact O-N 2.84Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-S69 WeakPolarHBondContact O-CB 3.44Å; V65-S69 PolarHBondContact O-N 2.83Å
66T95.4Very high94.7Very high66 Ų6676 Ų7641%0.40538%0.377SS..Hα-helixtrans-64.6-39.4173.4-60.10000111.7L62 N63 Y64L62-T66 VanDerWaalsContact O-CB 3.23Å; L62-T66 WeakPolarHBondContact O-CB 3.48Å; L62-T66 PolarHBondContact O-N 3.13Å; L62-T66 PolarHBondContact O-OG1 2.87Å; N63-T66 PolarHBondContact O-N 2.97Å; Y64-T66 VanDerWaalsContact C-N 3.26Å; Y64-T66 PolarHBondContact O-N 3.49Å
67Q95.7Very high94.7Very high146 Ų14671.5 Ų71.568%0.68235%0.348SS*.Hα-helixtrans-78.7-38.2-179.5-176.6175.610.600113.1N63 Y64 V65N63-Q67 WeakPolarHBondContact O-CB 3.07Å; N63-Q67 PolarHBondContact O-N 3Å; Y64-Q67 PolarHBondContact O-N 2.98Å; Y64-Q67 VanDerWaalsContact O-N 3.12Å; V65-Q67 VanDerWaalsContact C-N 3.34Å
68F96Very high94.7Very high80 Ų8071 Ų7135%0.35134%0.339SS..Hα-helixtrans-105.9-11.8-167.9-68.1-73.9000114.6L30 Y64 K70L30-F68 HydrophobicContact CD1-CB 3.93Å; Y64-F68 HydrophobicContact CD1-CD2 4.25Å; Y64-F68 AromaticContact CD2-CD2 3.45Å; Y64-F68 HydrophobicContact CD2-CD2 3.45Å; Y64-F68 VanDerWaalsContact CD2-CD2 3.45Å; Y64-F68 AromaticContact CD2-CE2 3.63Å; Y64-F68 HydrophobicContact CD2-CE2 3.63Å; Y64-F68 HydrophobicContact CE1-CB 4.33Å; Y64-F68 HydrophobicContact CE1-CD2 4.21Å; Y64-F68 AromaticContact CE2-CD2 3.4Å; Y64-F68 HydrophobicContact CE2-CD2 3.4Å; Y64-F68 AromaticContact CE2-CE2 3.59Å; Y64-F68 HydrophobicContact CE2-CE2 3.59Å; Y64-F68 HydrophobicContact CE2-CG 4.19Å; Y64-F68 HydrophobicContact CE2-CZ 4.49Å; Y64-F68 AromaticContact CG-CD2 3.89Å; Y64-F68 HydrophobicContact CG-CD2 3.89Å; Y64-F68 HydrophobicContact CG-CE2 4.45Å; Y64-F68 AromaticContact CZ-CD2 3.8Å; Y64-F68 WeakPolarHBondContact O-CB 3.46Å; Y64-F68 VanDerWaalsContact O-CD2 3.27Å; Y64-F68 WeakPolarHBondContact O-CD2 3.49Å; Y64-F68 PolarHBondContact O-N 3.03Å; F68-K70 PolarHBondContact O-N 3.44Å
69S93.9Very high94.7Very high13 Ų1371.8 Ų71.89%0.09135%0.348CS..  trans-59.2133.1171.4-179.30000110.9A31 V65 F71A31-S69 WeakPolarHBondContact CA-OG 3.32Å; A31-S69 WeakPolarHBondContact CB-OG 3.29Å; A31-S69 PolarHBondContact N-OG 2.77Å; V65-S69 WeakPolarHBondContact O-CB 3.44Å; V65-S69 PolarHBondContact O-N 2.83Å; S69-F71 PolarHBondContact OG-N 2.89Å; S69-F71 PolarHBondContact OG-O 3.43Å
70K91.9Very high94.8Very high70 Ų7068.9 Ų68.930%0.30433%0.331SS..SBendtrans-87.4-12.8176.5-52.6-57.5-178.3175.20113F68 N99 L101 Q139F68-K70 PolarHBondContact O-N 3.44Å; K70-N99 WeakPolarHBondContact CE-O 3.32Å; K70-L101 HydrophobicContact CG-CB 4.19Å; K70-Q139 PolarHBondContact O-NE2 3.02Å
71F93Very high94.7Very high3 Ų365.1 Ų65.11%0.01331%0.312CS..  trans-128.3134.1-175.8-49-77.4000111A31 S69 T76 I77 V80 A98 L101 I132 R136A31-F71 HydrophobicContact CB-CB 3.91Å; A31-F71 HydrophobicContact CB-CD2 4.31Å; S69-F71 PolarHBondContact OG-N 2.89Å; S69-F71 PolarHBondContact OG-O 3.43Å; F71-T76 HydrophobicContact CD1-CG2 3.71Å; F71-T76 HydrophobicContact CE1-CG2 4.25Å; F71-I77 HydrophobicContact CB-CD1 4.18Å; F71-I77 HydrophobicContact CB-CG1 3.5Å; F71-I77 VanDerWaalsContact CB-CG1 3.5Å; F71-I77 HydrophobicContact CG-CG1 4.36Å; F71-V80 HydrophobicContact CE1-CG2 3.94Å; F71-V80 HydrophobicContact CE2-CG1 4.42Å; F71-V80 HydrophobicContact CZ-CG1 4.18Å; F71-V80 HydrophobicContact CZ-CG2 4.06Å; F71-A98 HydrophobicContact CE2-CB 4.14Å; F71-A98 WeakPolarHBondContact CE2-O 3.47Å; F71-L101 HydrophobicContact CE1-CD1 4.49Å; F71-L101 HydrophobicContact CE2-CD1 4.44Å; F71-L101 HydrophobicContact CZ-CD1 3.72Å; F71-I132 HydrophobicContact CE1-CG2 4.34Å; F71-I132 HydrophobicContact CZ-CG2 3.89Å; F71-R136 HydrophobicContact CD1-CB 4.38Å; F71-R136 HydrophobicContact CD1-CG 4.32Å; F71-R136 HydrophobicContact CE1-CB 3.88Å; F71-R136 HydrophobicContact CE1-CG 4.11Å
72N87.3Confident94.6Very high107 Ų10766.8 Ų66.857%0.57232%0.319SS*.  trans-120.1-14.8178.7-67-47000112.6K34K34-N72 PolarHBondContact NZ-OD1 3.23Å
73N91.3Very high94.5Very high39 Ų3966.7 Ų66.721%0.20932%0.319CS..  trans-96.9127.8178.3-174.4-67.1000110.8E75 T76 I77 Q139 S140N73-E75 PolarHBondContact O-N 3.19Å; N73-E75 WeakPolarHBondContact OD1-CB 3.4Å; N73-E75 PolarHBondContact OD1-N 2.94Å; N73-T76 WeakPolarHBondContact O-CB 3.44Å; N73-T76 PolarHBondContact O-N 2.72Å; N73-T76 PolarHBondContact OD1-N 3.07Å; N73-I77 WeakPolarHBondContact O-CD1 3.25Å; N73-I77 VanDerWaalsContact O-CG1 3.26Å; N73-I77 WeakPolarHBondContact O-CG1 3.35Å; N73-I77 PolarHBondContact O-N 3.35Å; N73-Q139 HydrophobicContact CB-CB 3.89Å; N73-S140 PolarHBondContact ND2-O 3.39Å
74R91.7Very high94.4Very high164 Ų16462 Ų6262%0.61929%0.293SS*.Hα-helixtrans-61.9-41.4-177.8-176.7174.6175.1169.12.1113.2I35 T76 I77 E78I35-R74 HydrophobicContact CD1-CB 4.48Å; I35-R74 HydrophobicContact CD1-CG 4.4Å; R74-T76 VanDerWaalsContact C-N 3.33Å; R74-T76 PolarHBondContact O-N 3.22Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-E78 IonicContact CZ-OE1 3.6Å; R74-E78 IonicContact NE-OE1 3.86Å; R74-E78 PolarHBondContact NE-OE1 3.05Å; R74-E78 IonicContact NH2-OE1 3.69Å; R74-E78 WeakPolarHBondContact O-CG 3.32Å; R74-E78 PolarHBondContact O-N 2.79Å
75E93.4Very high94.3Very high152 Ų15259.9 Ų59.971%0.7129%0.293SS*.Hα-helixtrans-65.6-39.7178.8-59.1-178.9172.700110.8N73 E78 S79N73-E75 PolarHBondContact O-N 3.19Å; N73-E75 WeakPolarHBondContact OD1-CB 3.4Å; N73-E75 PolarHBondContact OD1-N 2.94Å; E75-E78 PolarHBondContact O-N 3.28Å; E75-S79 VanDerWaalsContact O-CB 3.25Å; E75-S79 WeakPolarHBondContact O-CB 3.39Å; E75-S79 PolarHBondContact O-N 3.15Å
76T93.7Very high94.2Very high15 Ų1567 Ų679%0.09233%0.327CS..Hα-helixtrans-61.4-44.8173.7-57.80000111.4F71 N73 R74 S79 V80 K135 Q139F71-T76 HydrophobicContact CD1-CG2 3.71Å; F71-T76 HydrophobicContact CE1-CG2 4.25Å; N73-T76 WeakPolarHBondContact O-CB 3.44Å; N73-T76 PolarHBondContact O-N 2.72Å; N73-T76 PolarHBondContact OD1-N 3.07Å; R74-T76 VanDerWaalsContact C-N 3.33Å; R74-T76 PolarHBondContact O-N 3.22Å; T76-S79 PolarHBondContact O-N 2.82Å; T76-V80 HydrophobicContact CG2-CG2 4.39Å; T76-V80 VanDerWaalsContact O-CG2 3.32Å; T76-V80 WeakPolarHBondContact O-CG2 3.16Å; T76-V80 PolarHBondContact O-N 2.75Å; T76-K135 HydrophobicContact CG2-CB 4.21Å; T76-Q139 HydrophobicContact CG2-CB 4.14Å; T76-Q139 VanDerWaalsContact OG1-CB 3.32Å; T76-Q139 WeakPolarHBondContact OG1-CB 3.36Å
77I95Very high94.1Very high5 Ų569 Ų693%0.02633%0.33CS..Hα-helixtrans-61.1-49.1179.1-66.2159.5000110.6A31 E32 I35 F71 N73 R74 S79 V80 R81A31-I77 HydrophobicContact CB-CD1 3.61Å; A31-I77 HydrophobicContact CB-CG1 3.74Å; A31-I77 HydrophobicContact CB-CG2 4.49Å; E32-I77 HydrophobicContact CB-CG2 4.31Å; I35-I77 HydrophobicContact CD1-CD1 3.58Å; I35-I77 HydrophobicContact CG1-CD1 4.47Å; F71-I77 HydrophobicContact CB-CD1 4.18Å; F71-I77 HydrophobicContact CB-CG1 3.5Å; F71-I77 VanDerWaalsContact CB-CG1 3.5Å; F71-I77 HydrophobicContact CG-CG1 4.36Å; N73-I77 WeakPolarHBondContact O-CD1 3.25Å; N73-I77 VanDerWaalsContact O-CG1 3.26Å; N73-I77 WeakPolarHBondContact O-CG1 3.35Å; N73-I77 PolarHBondContact O-N 3.35Å; R74-I77 PolarHBondContact O-N 2.87Å; I77-S79 VanDerWaalsContact C-N 3.33Å; I77-S79 PolarHBondContact O-N 2.86Å; I77-V80 PolarHBondContact O-N 3.2Å; I77-R81 PolarHBondContact O-N 2.72Å
78E95.6Very high93.9Very high92 Ų9272.1 Ų72.143%0.4334%0.335SS..Hα-helixtrans-62.6-40.2178.1-70.4176.7-170.400111.4R74 E75 R81 N82R74-E78 IonicContact CZ-OE1 3.6Å; R74-E78 IonicContact NE-OE1 3.86Å; R74-E78 PolarHBondContact NE-OE1 3.05Å; R74-E78 IonicContact NH2-OE1 3.69Å; R74-E78 WeakPolarHBondContact O-CG 3.32Å; R74-E78 PolarHBondContact O-N 2.79Å; E75-E78 PolarHBondContact O-N 3.28Å; E78-R81 PolarHBondContact O-N 2.63Å; E78-N82 WeakPolarHBondContact O-CB 3.46Å; E78-N82 PolarHBondContact O-N 3.23Å; E78-N82 PolarHBondContact O-ND2 3.48Å; E78-N82 VanDerWaalsContact O-ND2 3.13Å
79S94.8Very high93.9Very high46 Ų4668.8 Ų68.832%0.32232%0.321SS..Hα-helixtrans-64.3-45.2177-170.50000112.6E75 T76 I77 N82 L83 K135E75-S79 VanDerWaalsContact O-CB 3.25Å; E75-S79 WeakPolarHBondContact O-CB 3.39Å; E75-S79 PolarHBondContact O-N 3.15Å; T76-S79 PolarHBondContact O-N 2.82Å; I77-S79 VanDerWaalsContact C-N 3.33Å; I77-S79 PolarHBondContact O-N 2.86Å; S79-N82 PolarHBondContact O-N 3.05Å; S79-L83 WeakPolarHBondContact O-CB 3.45Å; S79-L83 PolarHBondContact O-N 3Å; S79-K135 WeakPolarHBondContact OG-CD 3.3Å; S79-K135 WeakPolarHBondContact OG-CE 3.38Å
80V95.6Very high93.9Very high0 Ų070.9 Ų70.90%033%0.329CS..Hα-helixtrans-64.4-43.3177.7170.70000110.9F71 T76 I77 L83 L84 A98 I132 K135F71-V80 HydrophobicContact CE1-CG2 3.94Å; F71-V80 HydrophobicContact CE2-CG1 4.42Å; F71-V80 HydrophobicContact CZ-CG1 4.18Å; F71-V80 HydrophobicContact CZ-CG2 4.06Å; T76-V80 HydrophobicContact CG2-CG2 4.39Å; T76-V80 VanDerWaalsContact O-CG2 3.32Å; T76-V80 WeakPolarHBondContact O-CG2 3.16Å; T76-V80 PolarHBondContact O-N 2.75Å; I77-V80 PolarHBondContact O-N 3.2Å; V80-L83 PolarHBondContact O-N 3.45Å; V80-L84 HydrophobicContact CG1-CD1 3.94Å; V80-L84 WeakPolarHBondContact O-CG 3.25Å; V80-L84 PolarHBondContact O-N 3.01Å; V80-L84 VanDerWaalsContact O-N 3.08Å; V80-A98 HydrophobicContact CG1-CB 4.44Å; V80-I132 HydrophobicContact CG1-CG1 4.47Å; V80-I132 HydrophobicContact CG1-CG2 4.18Å; V80-I132 HydrophobicContact CG2-CG2 4.16Å; V80-K135 HydrophobicContact CG2-CB 4.44Å; V80-K135 HydrophobicContact CG2-CD 4.15Å
81R95.7Very high94Very high73 Ų7370 Ų7028%0.27533%0.327SS..Hα-helixtrans-57-53.3174.1179.9170.5-92.3164.6-15.1111T27 M29 E32 I77 E78 L83 L84 T85 L94T27-R81 PolarHBondContact O-NH2 3.21Å; M29-R81 HydrophobicContact CE-CB 3.52Å; M29-R81 HydrophobicContact CE-CG 4.22Å; E32-R81 IonicContact OE1-CZ 3.71Å; E32-R81 IonicContact OE1-NE 2.67Å; E32-R81 IonicContact OE1-NH1 3.13Å; E32-R81 PolarHBondContact OE1-NH1 3.11Å; E32-R81 IonicContact OE1-NH2 2.92Å; E32-R81 PolarHBondContact OE1-NH2 2.89Å; E32-R81 VanDerWaalsContact OE1-NH2 3.08Å; E32-R81 IonicContact OE2-CZ 3.6Å; E32-R81 IonicContact OE2-NE 2.59Å; E32-R81 IonicContact OE2-NH1 3.08Å; E32-R81 IonicContact OE2-NH2 2.83Å; E32-R81 PolarHBondContact OE2-NH2 2.84Å; I77-R81 PolarHBondContact O-N 2.72Å; E78-R81 PolarHBondContact O-N 2.63Å; R81-L83 VanDerWaalsContact C-N 3.28Å; R81-L83 PolarHBondContact O-N 2.98Å; R81-L84 PolarHBondContact O-N 2.92Å; R81-T85 WeakPolarHBondContact O-CB 3.36Å; R81-T85 PolarHBondContact O-N 3.32Å; R81-T85 PolarHBondContact O-OG1 3.33Å; R81-L94 HydrophobicContact CG-CD1 4.41Å
82N96.5Very high94.1Very high91 Ų9172.7 Ų72.749%0.48734%0.339SS..Hα-helixtrans-59.8-41.2-177-73-27000111.8E78 S79 T85 Q86E78-N82 WeakPolarHBondContact O-CB 3.46Å; E78-N82 PolarHBondContact O-N 3.23Å; E78-N82 PolarHBondContact O-ND2 3.48Å; E78-N82 VanDerWaalsContact O-ND2 3.13Å; S79-N82 PolarHBondContact O-N 3.05Å; N82-T85 PolarHBondContact O-N 3.49Å; N82-Q86 WeakPolarHBondContact O-CB 3.49Å; N82-Q86 WeakPolarHBondContact O-CG 3.44Å; N82-Q86 PolarHBondContact O-N 3.28Å
83L95.7Very high94.6Very high15 Ų1567.6 Ų67.68%0.07931%0.312CS..Hα-helixtrans-58.5-50.6176.2176.761.8000111.5S79 V80 R81 Q86 K87 L128 E131 I132S79-L83 WeakPolarHBondContact O-CB 3.45Å; S79-L83 PolarHBondContact O-N 3Å; V80-L83 PolarHBondContact O-N 3.45Å; R81-L83 VanDerWaalsContact C-N 3.28Å; R81-L83 PolarHBondContact O-N 2.98Å; L83-Q86 PolarHBondContact O-N 3.26Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 2.99Å; L83-K87 VanDerWaalsContact O-N 3.08Å; L83-L128 HydrophobicContact CD1-CD1 3.92Å; L83-L128 HydrophobicContact CD2-CD1 3.79Å; L83-L128 HydrophobicContact CG-CD1 3.63Å; L83-E131 HydrophobicContact CD2-CB 4.25Å; L83-E131 HydrophobicContact CD2-CG 4.03Å; L83-I132 HydrophobicContact CD2-CG1 3.91Å
84L95.6Very high94.8Very high0 Ų065.9 Ų65.90%030%0.303CS..Hα-helixtrans-68.5-38.2-179.1-70170.6000112.6V80 R81 K87 R88 F89 L94 L97 A98 L128 I132V80-L84 HydrophobicContact CG1-CD1 3.94Å; V80-L84 WeakPolarHBondContact O-CG 3.25Å; V80-L84 PolarHBondContact O-N 3.01Å; V80-L84 VanDerWaalsContact O-N 3.08Å; R81-L84 PolarHBondContact O-N 2.92Å; L84-K87 CarbonylContact O-C 3.52Å; L84-K87 PolarHBondContact O-N 3.29Å; L84-R88 PolarHBondContact O-N 3.06Å; L84-F89 HydrophobicContact CD2-CD1 4.32Å; L84-F89 HydrophobicContact CD2-CD2 3.89Å; L84-F89 HydrophobicContact CD2-CE1 4.42Å; L84-F89 HydrophobicContact CD2-CE2 4.02Å; L84-F89 HydrophobicContact CD2-CG 4.07Å; L84-F89 HydrophobicContact CD2-CZ 4.29Å; L84-F89 PolarHBondContact O-N 2.76Å; L84-L94 HydrophobicContact CB-CB 4.21Å; L84-L94 HydrophobicContact CB-CD1 3.53Å; L84-L94 HydrophobicContact CB-CG 3.56Å; L84-L94 HydrophobicContact CD1-CB 4.42Å; L84-L94 HydrophobicContact CD1-CG 3.78Å; L84-L94 HydrophobicContact CG-CG 4.29Å; L84-L97 HydrophobicContact CD2-CD2 3.8Å; L84-A98 HydrophobicContact CD1-CB 4.46Å; L84-L128 HydrophobicContact CD2-CD1 4.5Å; L84-L128 HydrophobicContact CD2-CD2 3.84Å; L84-L128 HydrophobicContact CD2-CG 4.36Å; L84-I132 HydrophobicContact CD1-CD1 4.27Å; L84-I132 HydrophobicContact CD2-CD1 3.93Å; L84-I132 HydrophobicContact CG-CD1 4.23Å
85T95Very high95Very high78 Ų7858.4 Ų58.448%0.47928%0.276SS..Hα-helixtrans-63-42.8173.5-58.50000111.4R81 N82 K87 R88R81-T85 WeakPolarHBondContact O-CB 3.36Å; R81-T85 PolarHBondContact O-N 3.32Å; R81-T85 PolarHBondContact O-OG1 3.33Å; N82-T85 PolarHBondContact O-N 3.49Å; T85-K87 VanDerWaalsContact C-N 3.28Å; T85-K87 PolarHBondContact O-N 2.88Å; T85-R88 PolarHBondContact O-N 2.67Å
86Q94.8Very high95.1Very high153 Ų15352.2 Ų52.272%0.71525%0.249SC*.Hα-helixtrans-63.5-35.2176.8-77.1175.86.300112.4N82 L83 R88N82-Q86 WeakPolarHBondContact O-CB 3.49Å; N82-Q86 WeakPolarHBondContact O-CG 3.44Å; N82-Q86 PolarHBondContact O-N 3.28Å; L83-Q86 PolarHBondContact O-N 3.26Å; Q86-R88 PolarHBondContact O-N 2.59Å
87K93.4Very high95.3Very high107 Ų10751.6 Ų51.647%0.46525%0.245SC..THydrogen-bonded Turntrans-77.93.6174.1-64.8-68.3-175.2171.50113.7L83 L84 T85 F89 F120 L128L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 2.99Å; L83-K87 VanDerWaalsContact O-N 3.08Å; L84-K87 CarbonylContact O-C 3.52Å; L84-K87 PolarHBondContact O-N 3.29Å; T85-K87 VanDerWaalsContact C-N 3.28Å; T85-K87 PolarHBondContact O-N 2.88Å; K87-F89 VanDerWaalsContact C-N 3.31Å; K87-F89 HydrophobicContact CB-CD2 3.74Å; K87-F89 HydrophobicContact CB-CE2 3.75Å; K87-F89 PolarHBondContact O-N 3.08Å; K87-F120 HydrophobicContact CB-CE1 4.45Å; K87-F120 VanDerWaalsContact O-CE1 3.29Å; K87-F120 WeakPolarHBondContact O-CE1 3.43Å; K87-F120 VanDerWaalsContact O-CZ 3.32Å; K87-F120 WeakPolarHBondContact O-CZ 3.49Å; K87-L128 HydrophobicContact CG-CD1 3.98Å
88R92.5Very high95.3Very high211 Ų21151.3 Ų51.380%0.79624%0.244SC*.THydrogen-bonded Turntrans60.935.4175.5-54.5-179.8174.3169.8-2.1113.9L84 T85 Q86L84-R88 PolarHBondContact O-N 3.06Å; T85-R88 PolarHBondContact O-N 2.67Å; Q86-R88 PolarHBondContact O-N 2.59Å
89F95Very high95.3Very high11 Ų1148.9 Ų48.95%0.04823%0.234CC..  trans-64141.9166-79.8-106.6000109.5L84 K87 E93 L94 L97 L115 F120 L125 L128L84-F89 HydrophobicContact CD2-CD1 4.32Å; L84-F89 HydrophobicContact CD2-CD2 3.89Å; L84-F89 HydrophobicContact CD2-CE1 4.42Å; L84-F89 HydrophobicContact CD2-CE2 4.02Å; L84-F89 HydrophobicContact CD2-CG 4.07Å; L84-F89 HydrophobicContact CD2-CZ 4.29Å; L84-F89 PolarHBondContact O-N 2.76Å; K87-F89 VanDerWaalsContact C-N 3.31Å; K87-F89 HydrophobicContact CB-CD2 3.74Å; K87-F89 HydrophobicContact CB-CE2 3.75Å; K87-F89 PolarHBondContact O-N 3.08Å; F89-E93 HydrophobicContact CB-CB 4.41Å; F89-E93 HydrophobicContact CD1-CB 3.9Å; F89-L94 HydrophobicContact CB-CB 4.11Å; F89-L97 HydrophobicContact CD1-CD2 4.47Å; F89-L97 HydrophobicContact CE1-CD2 3.87Å; F89-L97 HydrophobicContact CZ-CD2 4.31Å; F89-L115 HydrophobicContact CD1-CD2 3.91Å; F89-L115 HydrophobicContact CE1-CD1 4.19Å; F89-L115 HydrophobicContact CE1-CD2 3.52Å; F89-L115 HydrophobicContact CZ-CD2 4.47Å; F89-F120 HydrophobicContact CD2-CE1 4.24Å; F89-F120 HydrophobicContact CD2-CE2 4.35Å; F89-F120 AromaticContact CD2-CZ 3.71Å; F89-F120 HydrophobicContact CD2-CZ 3.71Å; F89-F120 HydrophobicContact CE1-CE2 4.18Å; F89-F120 HydrophobicContact CE1-CZ 4.42Å; F89-F120 HydrophobicContact CE2-CD1 4.33Å; F89-F120 AromaticContact CE2-CE1 3.63Å; F89-F120 HydrophobicContact CE2-CE1 3.63Å; F89-F120 AromaticContact CE2-CE2 3.98Å; F89-F120 HydrophobicContact CE2-CE2 3.98Å; F89-F120 AromaticContact CE2-CZ 3.42Å; F89-F120 HydrophobicContact CE2-CZ 3.42Å; F89-F120 VanDerWaalsContact CE2-CZ 3.42Å; F89-F120 HydrophobicContact CG-CZ 4.3Å; F89-F120 HydrophobicContact CZ-CD1 4.49Å; F89-F120 HydrophobicContact CZ-CD2 4.26Å; F89-F120 HydrophobicContact CZ-CE1 4.13Å; F89-F120 AromaticContact CZ-CE2 3.88Å; F89-F120 HydrophobicContact CZ-CE2 3.88Å; F89-F120 AromaticContact CZ-CZ 3.82Å; F89-F120 HydrophobicContact CZ-CZ 3.82Å; F89-L125 HydrophobicContact CZ-CD1 4.07Å; F89-L128 HydrophobicContact CD2-CD2 4.36Å; F89-L128 HydrophobicContact CE1-CD2 4.46Å; F89-L128 HydrophobicContact CE2-CD2 3.28Å; F89-L128 HydrophobicContact CZ-CD2 3.35Å
90H94.6Very high95.3Very high56 Ų5650.7 Ų50.726%0.25924%0.24SC..  trans-64.3150168.3-173.8-93.7000109.6L16 F18 F92 E93 L94L16-H90 HydrophobicContact CD1-CB 3.84Å; L16-H90 HydrophobicContact CD2-CB 4.1Å; F18-H90 AromaticContact CD2-CE1 4Å; F18-H90 AromaticContact CE2-CE1 3.56Å; H90-F92 WeakPolarHBondContact ND1-CB 3.36Å; H90-F92 PolarHBondContact ND1-N 2.74Å; H90-F92 PolarHBondContact O-N 2.88Å; H90-E93 HydrophobicContact CB-CB 4.4Å; H90-E93 HydrophobicContact CB-CG 3.95Å; H90-E93 VanDerWaalsContact CB-OE2 3.25Å; H90-E93 WeakPolarHBondContact CB-OE2 3.42Å; H90-E93 PolarHBondContact N-OE2 2.73Å; H90-E93 WeakPolarHBondContact O-CA 3.22Å; H90-E93 WeakPolarHBondContact O-CB 3.2Å; H90-E93 PolarHBondContact O-N 3.03Å; H90-L94 PolarHBondContact O-N 3.25Å
91N94.2Very high95.2Very high51 Ų5151.4 Ų51.427%0.27324%0.244SC..Hα-helixtrans-52.6-42.7-178.5-78.1-17.6000112.2A25 D26 T27 A95A25-N91 PolarHBondContact O-ND2 2.84Å; D26-N91 PolarHBondContact OD1-ND2 2.81Å; T27-N91 HydrophobicContact CG2-CB 3.89Å; T27-N91 WeakPolarHBondContact OG1-CB 3.27Å; T27-N91 PolarHBondContact OG1-O 3.48Å; N91-A95 PolarHBondContact O-N 3.38Å
92F95.4Very high95.2Very high60 Ų6048.2 Ų48.226%0.26323%0.232SC..Hα-helixtrans-58.7-46.4173.4170.2-105.2000112.9A13 L16 F18 H90 S96A13-F92 HydrophobicContact CB-CE1 4.12Å; A13-F92 HydrophobicContact CB-CZ 4.04Å; L16-F92 HydrophobicContact CD2-CD1 4.03Å; F18-F92 HydrophobicContact CE1-CD2 4.29Å; F18-F92 HydrophobicContact CE1-CG 4.25Å; F18-F92 HydrophobicContact CE2-CB 4.18Å; F18-F92 HydrophobicContact CE2-CG 4.49Å; F18-F92 HydrophobicContact CZ-CB 3.7Å; F18-F92 AromaticContact CZ-CD1 3.84Å; F18-F92 HydrophobicContact CZ-CD1 3.84Å; F18-F92 HydrophobicContact CZ-CD2 4.09Å; F18-F92 AromaticContact CZ-CG 3.59Å; F18-F92 HydrophobicContact CZ-CG 3.59Å; H90-F92 WeakPolarHBondContact ND1-CB 3.36Å; H90-F92 PolarHBondContact ND1-N 2.74Å; H90-F92 PolarHBondContact O-N 2.88Å; F92-S96 WeakPolarHBondContact CE2-OG 3.48Å; F92-S96 VanDerWaalsContact O-CB 3.25Å; F92-S96 WeakPolarHBondContact O-CB 3.26Å; F92-S96 PolarHBondContact O-N 3.44Å; F92-S96 PolarHBondContact O-OG 2.76Å
93E96.2Very high95.1Very high0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-67-44.2-177.9-60.8176.8131.100110.8L16 F89 H90 S96 L97 S114 L115 R119L16-E93 HydrophobicContact CD2-CG 3.83Å; F89-E93 HydrophobicContact CB-CB 4.41Å; F89-E93 HydrophobicContact CD1-CB 3.9Å; H90-E93 HydrophobicContact CB-CB 4.4Å; H90-E93 HydrophobicContact CB-CG 3.95Å; H90-E93 VanDerWaalsContact CB-OE2 3.25Å; H90-E93 WeakPolarHBondContact CB-OE2 3.42Å; H90-E93 PolarHBondContact N-OE2 2.73Å; H90-E93 WeakPolarHBondContact O-CA 3.22Å; H90-E93 WeakPolarHBondContact O-CB 3.2Å; H90-E93 PolarHBondContact O-N 3.03Å; E93-S96 PolarHBondContact O-N 3.17Å; E93-L97 WeakPolarHBondContact O-CB 3.47Å; E93-L97 PolarHBondContact O-N 2.81Å; E93-S114 WeakPolarHBondContact CG-OG 3.32Å; E93-S114 WeakPolarHBondContact OE1-CB 3.46Å; E93-S114 PolarHBondContact OE1-OG 2.91Å; E93-L115 HydrophobicContact CB-CD2 4.21Å; E93-L115 HydrophobicContact CG-CD2 4.23Å; E93-L115 WeakPolarHBondContact OE1-CD2 2.89Å; E93-R119 IonicContact OE1-CZ 3.72Å; E93-R119 IonicContact OE1-NH1 3.91Å; E93-R119 IonicContact OE1-NH2 2.67Å; E93-R119 PolarHBondContact OE1-NH2 3.4Å; E93-R119 IonicContact OE2-CZ 3.62Å; E93-R119 IonicContact OE2-NH1 3.11Å; E93-R119 PolarHBondContact OE2-NH1 3.01Å; E93-R119 VanDerWaalsContact OE2-NH1 3.11Å; E93-R119 IonicContact OE2-NH2 3.27Å; E93-R119 PolarHBondContact OE2-NH2 3.47Å
94L95.7Very high95.2Very high3 Ų350.9 Ų50.92%0.01625%0.249CC..Hα-helixtrans-56.5-53.1176.9176.8160.2000111.1M29 R81 L84 F89 H90 A98M29-L94 HydrophobicContact CE-CD2 3.87Å; M29-L94 HydrophobicContact CG-CD2 4.34Å; R81-L94 HydrophobicContact CG-CD1 4.41Å; L84-L94 HydrophobicContact CB-CB 4.21Å; L84-L94 HydrophobicContact CB-CD1 3.53Å; L84-L94 HydrophobicContact CB-CG 3.56Å; L84-L94 HydrophobicContact CD1-CB 4.42Å; L84-L94 HydrophobicContact CD1-CG 3.78Å; L84-L94 HydrophobicContact CG-CG 4.29Å; F89-L94 HydrophobicContact CB-CB 4.11Å; H90-L94 PolarHBondContact O-N 3.25Å; L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.43Å; L94-A98 PolarHBondContact O-N 3.47Å
95A96.2Very high95.2Very high7 Ų750.9 Ų50.96%0.05825%0.249CC..Hα-helixtrans-65.2-42.3-17900000111.2N91 N99N91-A95 PolarHBondContact O-N 3.38Å; A95-N99 VanDerWaalsContact O-CB 3.28Å; A95-N99 WeakPolarHBondContact O-CB 3.43Å; A95-N99 PolarHBondContact O-N 2.86Å; A95-N99 PolarHBondContact O-ND2 2.96Å
96S96.3Very high95.2Very high22 Ų2254.1 Ų54.115%0.15426%0.258CS..Hα-helixtrans-67.5-43-179-55.20000112F92 E93 N99 L100 L112F92-S96 WeakPolarHBondContact CE2-OG 3.48Å; F92-S96 VanDerWaalsContact O-CB 3.25Å; F92-S96 WeakPolarHBondContact O-CB 3.26Å; F92-S96 PolarHBondContact O-N 3.44Å; F92-S96 PolarHBondContact O-OG 2.76Å; E93-S96 PolarHBondContact O-N 3.17Å; S96-N99 PolarHBondContact O-N 3.46Å; S96-L100 WeakPolarHBondContact O-CB 3.32Å; S96-L100 VanDerWaalsContact O-CG 3.28Å; S96-L100 WeakPolarHBondContact O-CG 3.26Å; S96-L100 PolarHBondContact O-N 3.05Å; S96-L112 VanDerWaalsContact CB-CD2 3.42Å
97L96.5Very high95.3Very high2 Ų250.5 Ų50.51%0.0124%0.242CC..Hα-helixtrans-63.8-43.9177.7-166.574.8000111.2L84 F89 E93 N99 L101 P102 L112 L115 L129 I132L84-L97 HydrophobicContact CD2-CD2 3.8Å; F89-L97 HydrophobicContact CD1-CD2 4.47Å; F89-L97 HydrophobicContact CE1-CD2 3.87Å; F89-L97 HydrophobicContact CZ-CD2 4.31Å; E93-L97 WeakPolarHBondContact O-CB 3.47Å; E93-L97 PolarHBondContact O-N 2.81Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.17Å; L97-L101 VanDerWaalsContact O-CA 3.3Å; L97-L101 WeakPolarHBondContact O-CA 3.36Å; L97-L101 PolarHBondContact O-N 3.15Å; L97-P102 HydrophobicContact CD1-CG 3.74Å; L97-L112 HydrophobicContact CB-CD1 4.02Å; L97-L112 HydrophobicContact CD1-CD1 3.95Å; L97-L115 HydrophobicContact CD1-CD1 4.1Å; L97-L129 HydrophobicContact CD1-CD2 4.04Å; L97-L129 HydrophobicContact CD2-CD2 4.28Å; L97-L129 HydrophobicContact CG-CD2 4.28Å; L97-I132 HydrophobicContact CD2-CD1 4.37Å
98A95.6Very high95.4Very high0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-66.4-32.3177.500000113.1M29 F71 V80 L84 L94M29-A98 HydrophobicContact CG-CB 3.81Å; M29-A98 HydrophobicContact SD-CB 3.43Å; M29-A98 WeakPolarHBondContact SD-CB 3.34Å; F71-A98 HydrophobicContact CE2-CB 4.14Å; F71-A98 WeakPolarHBondContact CE2-O 3.47Å; V80-A98 HydrophobicContact CG1-CB 4.44Å; L84-A98 HydrophobicContact CD1-CB 4.46Å; L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.43Å; L94-A98 PolarHBondContact O-N 3.47Å
99N96.2Very high95.6Very high40 Ų4037.3 Ų37.321%0.21419%0.19CC..Hα-helixtrans-78.6-43.4179.2-69.7-22.9000112.6L30 K70 A95 S96 L97L30-N99 HydrophobicContact CD1-CB 4.35Å; L30-N99 HydrophobicContact CG-CB 4.46Å; L30-N99 WeakPolarHBondContact CG-OD1 3.3Å; L30-N99 PolarHBondContact N-OD1 3.04Å; K70-N99 WeakPolarHBondContact CE-O 3.32Å; A95-N99 VanDerWaalsContact O-CB 3.28Å; A95-N99 WeakPolarHBondContact O-CB 3.43Å; A95-N99 PolarHBondContact O-N 2.86Å; A95-N99 PolarHBondContact O-ND2 2.96Å; S96-N99 PolarHBondContact O-N 3.46Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.17Å
100L95.4Very high95.6Very high84 Ų8440.4 Ų40.444%0.4422%0.218SC..Hα-helixtrans-75.2-43.4-179.7-67.8170.6000111S96 L111 L112S96-L100 WeakPolarHBondContact O-CB 3.32Å; S96-L100 VanDerWaalsContact O-CG 3.28Å; S96-L100 WeakPolarHBondContact O-CG 3.26Å; S96-L100 PolarHBondContact O-N 3.05Å; L100-L111 HydrophobicContact CD1-CB 4.09Å; L100-L111 HydrophobicContact CD1-CD1 4.33Å; L100-L112 HydrophobicContact CD1-CD1 4.46Å; L100-L112 HydrophobicContact CD1-CD2 3.91Å; L100-L112 HydrophobicContact CD1-CG 4.15Å
101L93.7Very high95.7Very high16 Ų1641.8 Ų41.88%0.08423%0.227CC..  trans51.660.1-178.8-158.894.6000113.1K70 F71 L97 I132K70-L101 HydrophobicContact CG-CB 4.19Å; F71-L101 HydrophobicContact CE1-CD1 4.49Å; F71-L101 HydrophobicContact CE2-CD1 4.44Å; F71-L101 HydrophobicContact CZ-CD1 3.72Å; L97-L101 VanDerWaalsContact O-CA 3.3Å; L97-L101 WeakPolarHBondContact O-CA 3.36Å; L97-L101 PolarHBondContact O-N 3.15Å; L101-I132 HydrophobicContact CD1-CG2 3.57Å
102P95.3Very high95.7Very high5 Ų539.8 Ų39.83%0.03222%0.216CC..  trans-61.8154.4179.727.8-35.6000112.1L97 E107 S108 L129L97-P102 HydrophobicContact CD1-CG 3.74Å; P102-E107 WeakPolarHBondContact CA-OE2 3.29Å; P102-E107 HydrophobicContact CB-CB 4.17Å; P102-E107 HydrophobicContact CB-CG 3.87Å; P102-E107 WeakPolarHBondContact CB-OE2 3.15Å; P102-S108 WeakPolarHBondContact CG-OG 3.11Å; P102-L129 HydrophobicContact CG-CD2 3.96Å
103D94Very high95.7Very high101 Ų10140.3 Ų40.354%0.5423%0.225SC..SBendtrans-85.7-27.8-179-72.3-42.6000112.4E107 Q126 Q133D103-E107 PolarHBondContact N-OE2 3.46Å; D103-Q126 PolarHBondContact O-NE2 3.41Å; D103-Q126 VanDerWaalsContact O-NE2 3.14Å; D103-Q133 PolarHBondContact OD1-NE2 3.48Å
104T96.8Very high95.6Very high61 Ų6140.6 Ų40.637%0.37423%0.227SC..SBendtrans-128.7154-175.464.90000112.8E106 E107 S108 L129T104-E106 VanDerWaalsContact C-N 3.3Å; T104-E106 PolarHBondContact O-N 2.97Å; T104-E107 PolarHBondContact O-N 2.78Å; T104-E107 WeakPolarHBondContact OG1-CB 3.43Å; T104-E107 PolarHBondContact OG1-N 2.91Å; T104-E107 VanDerWaalsContact OG1-N 3.13Å; T104-S108 PolarHBondContact O-N 3.03Å; T104-S108 PolarHBondContact O-OG 3.33Å; T104-L129 VanDerWaalsContact C-CD1 3.43Å; T104-L129 WeakPolarHBondContact O-CD1 3.35Å
105A95.6Very high95.5Very high1 Ų140.4 Ų40.41%0.00823%0.226CC..Hα-helixtrans-61.9-38173.300000112.2S108 K109 E122 L125 Q126A105-S108 WeakPolarHBondContact O-CB 3.45Å; A105-S108 PolarHBondContact O-N 3.12Å; A105-K109 WeakPolarHBondContact O-CG 3.28Å; A105-K109 PolarHBondContact O-N 2.79Å; A105-E122 HydrophobicContact CB-CG 3.62Å; A105-E122 WeakPolarHBondContact CB-O 3.33Å; A105-L125 HydrophobicContact CB-CB 4Å; A105-L125 HydrophobicContact CB-CD2 4Å; A105-L125 HydrophobicContact CB-CG 3.97Å; A105-Q126 HydrophobicContact CB-CB 4.28Å
106E95.4Very high95.3Very high145 Ų14545.8 Ų45.868%0.67825%0.254SS*.Hα-helixtrans-59.5-50.7173.5-174.2-175.8176.900111.3T104 S108 K109 A110T104-E106 VanDerWaalsContact C-N 3.3Å; T104-E106 PolarHBondContact O-N 2.97Å; E106-S108 VanDerWaalsContact C-N 3.28Å; E106-S108 PolarHBondContact O-N 3.44Å; E106-K109 PolarHBondContact O-N 3.49Å; E106-A110 WeakPolarHBondContact O-CB 3.28Å; E106-A110 PolarHBondContact O-N 3.35Å
107E97.2Very high94.9Very high77 Ų7746.1 Ų46.136%0.3626%0.256SS..Hα-helixtrans-59.8-40.4176.5-178.1-176.6-153.500111.5P102 D103 T104 K109 A110 L111P102-E107 WeakPolarHBondContact CA-OE2 3.29Å; P102-E107 HydrophobicContact CB-CB 4.17Å; P102-E107 HydrophobicContact CB-CG 3.87Å; P102-E107 WeakPolarHBondContact CB-OE2 3.15Å; D103-E107 PolarHBondContact N-OE2 3.46Å; T104-E107 PolarHBondContact O-N 2.78Å; T104-E107 WeakPolarHBondContact OG1-CB 3.43Å; T104-E107 PolarHBondContact OG1-N 2.91Å; T104-E107 VanDerWaalsContact OG1-N 3.13Å; E107-K109 VanDerWaalsContact C-N 3.35Å; E107-K109 PolarHBondContact O-N 2.83Å; E107-A110 PolarHBondContact O-N 3.17Å; E107-L111 HydrophobicContact CG-CD1 3.81Å; E107-L111 HydrophobicContact CG-CG 4.22Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 WeakPolarHBondContact O-CG 3.26Å; E107-L111 PolarHBondContact O-N 3.32Å
108S96.4Very high94.5Very high0 Ų052.7 Ų52.70%030%0.299CS..Hα-helixtrans-58.5-45.8177.4-58.20000112P102 T104 A105 E106 L112 L129P102-S108 WeakPolarHBondContact CG-OG 3.11Å; T104-S108 PolarHBondContact O-N 3.03Å; T104-S108 PolarHBondContact O-OG 3.33Å; A105-S108 WeakPolarHBondContact O-CB 3.45Å; A105-S108 PolarHBondContact O-N 3.12Å; E106-S108 VanDerWaalsContact C-N 3.28Å; E106-S108 PolarHBondContact O-N 3.44Å; S108-L112 WeakPolarHBondContact O-CA 3.38Å; S108-L112 WeakPolarHBondContact O-CB 3.14Å; S108-L112 PolarHBondContact O-N 2.9Å; S108-L129 VanDerWaalsContact OG-CD1 3.27Å; S108-L129 WeakPolarHBondContact OG-CD1 3.45Å
109K95.2Very high94.3Very high41 Ų4157.8 Ų57.818%0.17832%0.318CS..Hα-helixtrans-68.9-36.8177.7-69.2177.3179.7178.90111.9A105 E106 E107 L112 P113 L115 D116 L125A105-K109 WeakPolarHBondContact O-CG 3.28Å; A105-K109 PolarHBondContact O-N 2.79Å; E106-K109 PolarHBondContact O-N 3.49Å; E107-K109 VanDerWaalsContact C-N 3.35Å; E107-K109 PolarHBondContact O-N 2.83Å; K109-L112 CarbonylContact O-C 3.57Å; K109-L112 VanDerWaalsContact O-C 3.31Å; K109-P113 WeakPolarHBondContact O-CA 3.38Å; K109-L115 HydrophobicContact CG-CB 4.38Å; K109-D116 HydrophobicContact CB-CB 4.43Å; K109-L125 HydrophobicContact CG-CD2 4.28Å
110A95.6Very high93.9Very high76 Ų7657 Ų5763%0.62831%0.313SS*.Hα-helixtrans-65.4-40.6176.700000112.4E106 E107E106-A110 WeakPolarHBondContact O-CB 3.28Å; E106-A110 PolarHBondContact O-N 3.35Å; E107-A110 PolarHBondContact O-N 3.17Å
111L96.3Very high93.8Very high86 Ų8656.1 Ų56.145%0.4531%0.311SS..Hα-helixtrans-81.6-31.2179-65.8177.5000113.1L100 E107L100-L111 HydrophobicContact CD1-CB 4.09Å; L100-L111 HydrophobicContact CD1-CD1 4.33Å; E107-L111 HydrophobicContact CG-CD1 3.81Å; E107-L111 HydrophobicContact CG-CG 4.22Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 WeakPolarHBondContact O-CG 3.26Å; E107-L111 PolarHBondContact O-N 3.32Å
112L95.4Very high93.8Very high8 Ų859.8 Ų59.84%0.04233%0.328CS..  trans-125.681.8-179.4-56.9174.9000109.8S96 L97 L100 S108 K109 S114 L115S96-L112 VanDerWaalsContact CB-CD2 3.42Å; L97-L112 HydrophobicContact CB-CD1 4.02Å; L97-L112 HydrophobicContact CD1-CD1 3.95Å; L100-L112 HydrophobicContact CD1-CD1 4.46Å; L100-L112 HydrophobicContact CD1-CD2 3.91Å; L100-L112 HydrophobicContact CD1-CG 4.15Å; S108-L112 WeakPolarHBondContact O-CA 3.38Å; S108-L112 WeakPolarHBondContact O-CB 3.14Å; S108-L112 PolarHBondContact O-N 2.9Å; K109-L112 CarbonylContact O-C 3.57Å; K109-L112 VanDerWaalsContact O-C 3.31Å; L112-S114 PolarHBondContact O-N 3.46Å; L112-L115 HydrophobicContact CB-CD1 3.89Å; L112-L115 HydrophobicContact CB-CG 4Å; L112-L115 HydrophobicContact CD1-CD1 3.89Å; L112-L115 VanDerWaalsContact O-CB 3.31Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.91Å
113P94.8Very high93.8Very high71 Ų7165.7 Ų65.746%0.46136%0.355SS..G310 helixtrans-61.1-19.7-174.2-25.935.7000114.7K109 L115 D116K109-P113 WeakPolarHBondContact O-CA 3.38Å; P113-L115 PolarHBondContact O-N 3.46Å; P113-D116 VanDerWaalsContact O-CB 3.31Å; P113-D116 WeakPolarHBondContact O-CB 3.33Å; P113-D116 PolarHBondContact O-N 2.99Å
114S94.5Very high93.8Very high6 Ų665.5 Ų65.54%0.04235%0.351CS..G310 helixtrans-63.8-20.9171.966.80000113.9S14 E93 L112 D116 R119S14-S114 WeakPolarHBondContact O-CA 3.04Å; S14-S114 VanDerWaalsContact O-CB 3.26Å; S14-S114 WeakPolarHBondContact O-CB 3.31Å; S14-S114 PolarHBondContact O-N 2.89Å; E93-S114 WeakPolarHBondContact CG-OG 3.32Å; E93-S114 WeakPolarHBondContact OE1-CB 3.46Å; E93-S114 PolarHBondContact OE1-OG 2.91Å; L112-S114 PolarHBondContact O-N 3.46Å; S114-D116 VanDerWaalsContact C-N 3.31Å; S114-R119 PolarHBondContact O-NH2 2.91Å
115L93.9Very high93.7Very high0 Ų062.6 Ų62.60%033%0.333CS..G310 helixtrans-79.8-13172-60.7-177.7000112.7F89 E93 L97 K109 L112 P113 S117 F120F89-L115 HydrophobicContact CD1-CD2 3.91Å; F89-L115 HydrophobicContact CE1-CD1 4.19Å; F89-L115 HydrophobicContact CE1-CD2 3.52Å; F89-L115 HydrophobicContact CZ-CD2 4.47Å; E93-L115 HydrophobicContact CB-CD2 4.21Å; E93-L115 HydrophobicContact CG-CD2 4.23Å; E93-L115 WeakPolarHBondContact OE1-CD2 2.89Å; L97-L115 HydrophobicContact CD1-CD1 4.1Å; K109-L115 HydrophobicContact CG-CB 4.38Å; L112-L115 HydrophobicContact CB-CD1 3.89Å; L112-L115 HydrophobicContact CB-CG 4Å; L112-L115 HydrophobicContact CD1-CD1 3.89Å; L112-L115 VanDerWaalsContact O-CB 3.31Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.91Å; P113-L115 PolarHBondContact O-N 3.46Å; L115-S117 PolarHBondContact O-N 2.94Å; L115-F120 HydrophobicContact CD2-CD2 4.4Å; L115-F120 HydrophobicContact CD2-CE2 4.33Å
116D91.1Very high93.8Very high120 Ų12065.1 Ų65.164%0.64235%0.345SS*.  trans-77.559.8172.6-165.125.5000110.9K109 P113 S114K109-D116 HydrophobicContact CB-CB 4.43Å; P113-D116 VanDerWaalsContact O-CB 3.31Å; P113-D116 WeakPolarHBondContact O-CB 3.33Å; P113-D116 PolarHBondContact O-N 2.99Å; S114-D116 VanDerWaalsContact C-N 3.31Å
117S87.2Confident93.8Very high29 Ų2964.6 Ų64.620%0.20334%0.342CS..SBendtrans-135.1157.6-179.3710000109.1L115 R119L115-S117 PolarHBondContact O-N 2.94Å; S117-R119 PolarHBondContact O-N 3.24Å; S117-R119 WeakPolarHBondContact OG-CB 3.41Å; S117-R119 PolarHBondContact OG-NE 3.14Å
118P88.8Confident93.7Very high139 Ų13961.3 Ų61.390%0.90333%0.327SS*.THydrogen-bonded Turntrans-69.26.9177.730-36.5000113.7F120P118-F120 VanDerWaalsContact C-N 3.29Å; P118-F120 PolarHBondContact O-N 3.15Å
119R90.8Very high93.8Very high107 Ų10761.5 Ų61.540%0.40433%0.328SS..THydrogen-bonded Turntrans-65.4-31.4177.5-70.3-173.9-67.9164.32.2112.7E93 S114 S117E93-R119 IonicContact OE1-CZ 3.72Å; E93-R119 IonicContact OE1-NH1 3.91Å; E93-R119 IonicContact OE1-NH2 2.67Å; E93-R119 PolarHBondContact OE1-NH2 3.4Å; E93-R119 IonicContact OE2-CZ 3.62Å; E93-R119 IonicContact OE2-NH1 3.11Å; E93-R119 PolarHBondContact OE2-NH1 3.01Å; E93-R119 VanDerWaalsContact OE2-NH1 3.11Å; E93-R119 IonicContact OE2-NH2 3.27Å; E93-R119 PolarHBondContact OE2-NH2 3.47Å; S114-R119 PolarHBondContact O-NH2 2.91Å; S117-R119 PolarHBondContact O-N 3.24Å; S117-R119 WeakPolarHBondContact OG-CB 3.41Å; S117-R119 PolarHBondContact OG-NE 3.14Å
120F89.5Confident93.8Very high23 Ų2363.3 Ų63.310%0.10134%0.34CS..SBendtrans-133.6125.5-179.2-56-72000109.5K87 F89 L115 P118K87-F120 HydrophobicContact CB-CE1 4.45Å; K87-F120 VanDerWaalsContact O-CE1 3.29Å; K87-F120 WeakPolarHBondContact O-CE1 3.43Å; K87-F120 VanDerWaalsContact O-CZ 3.32Å; K87-F120 WeakPolarHBondContact O-CZ 3.49Å; F89-F120 HydrophobicContact CD2-CE1 4.24Å; F89-F120 HydrophobicContact CD2-CE2 4.35Å; F89-F120 AromaticContact CD2-CZ 3.71Å; F89-F120 HydrophobicContact CD2-CZ 3.71Å; F89-F120 HydrophobicContact CE1-CE2 4.18Å; F89-F120 HydrophobicContact CE1-CZ 4.42Å; F89-F120 HydrophobicContact CE2-CD1 4.33Å; F89-F120 AromaticContact CE2-CE1 3.63Å; F89-F120 HydrophobicContact CE2-CE1 3.63Å; F89-F120 AromaticContact CE2-CE2 3.98Å; F89-F120 HydrophobicContact CE2-CE2 3.98Å; F89-F120 AromaticContact CE2-CZ 3.42Å; F89-F120 HydrophobicContact CE2-CZ 3.42Å; F89-F120 VanDerWaalsContact CE2-CZ 3.42Å; F89-F120 HydrophobicContact CG-CZ 4.3Å; F89-F120 HydrophobicContact CZ-CD1 4.49Å; F89-F120 HydrophobicContact CZ-CD2 4.26Å; F89-F120 HydrophobicContact CZ-CE1 4.13Å; F89-F120 AromaticContact CZ-CE2 3.88Å; F89-F120 HydrophobicContact CZ-CE2 3.88Å; F89-F120 AromaticContact CZ-CZ 3.82Å; F89-F120 HydrophobicContact CZ-CZ 3.82Å; L115-F120 HydrophobicContact CD2-CD2 4.4Å; L115-F120 HydrophobicContact CD2-CE2 4.33Å; P118-F120 VanDerWaalsContact C-N 3.29Å; P118-F120 PolarHBondContact O-N 3.15Å
121T92.4Very high93.8Very high66 Ų6663.5 Ų63.541%0.40533%0.328SS..  trans-67159166.460.10000110E123 E124 L125T121-E123 VanDerWaalsContact C-N 3.25Å; T121-E123 PolarHBondContact O-N 3.45Å; T121-E124 WeakPolarHBondContact CB-OE2 3.49Å; T121-E124 PolarHBondContact N-OE2 3.39Å; T121-E124 PolarHBondContact O-N 2.98Å; T121-E124 VanDerWaalsContact OG1-CB 3.29Å; T121-E124 WeakPolarHBondContact OG1-CB 3.5Å; T121-E124 WeakPolarHBondContact OG1-CG 3.44Å; T121-E124 PolarHBondContact OG1-N 3.44Å; T121-E124 PolarHBondContact OG1-OE2 2.9Å; T121-L125 WeakPolarHBondContact O-CB 3.45Å; T121-L125 PolarHBondContact O-N 3.4Å
122E92.9Very high93.7Very high93 Ų9359.5 Ų59.544%0.43531%0.307SS..Hα-helixtrans-64.3-36.5179.7-166.9159.9178.500111.3A105 L125 Q126A105-E122 HydrophobicContact CB-CG 3.62Å; A105-E122 WeakPolarHBondContact CB-O 3.33Å; E122-L125 PolarHBondContact O-N 2.68Å; E122-Q126 WeakPolarHBondContact O-CB 3.48Å; E122-Q126 PolarHBondContact O-N 2.85Å
123E95.2Very high93.6Very high129 Ų12961.6 Ų61.660%0.60332%0.316SS*.Hα-helixtrans-66.6-43.5176.1-61.279.4-176.300112.3T121 L125 Q126 Q127T121-E123 VanDerWaalsContact C-N 3.25Å; T121-E123 PolarHBondContact O-N 3.45Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-Q126 PolarHBondContact O-N 3.2Å; E123-Q127 WeakPolarHBondContact O-CB 3.4Å; E123-Q127 VanDerWaalsContact O-CG 3.28Å; E123-Q127 WeakPolarHBondContact O-CG 3.27Å; E123-Q127 PolarHBondContact O-N 2.96Å
124E94.3Very high93.4Very high97 Ų9760.9 Ų60.945%0.45331%0.313SS..Hα-helixtrans-64-40.9176.1-76.3167.714100111.7T121 L128T121-E124 WeakPolarHBondContact CB-OE2 3.49Å; T121-E124 PolarHBondContact N-OE2 3.39Å; T121-E124 PolarHBondContact O-N 2.98Å; T121-E124 VanDerWaalsContact OG1-CB 3.29Å; T121-E124 WeakPolarHBondContact OG1-CB 3.5Å; T121-E124 WeakPolarHBondContact OG1-CG 3.44Å; T121-E124 PolarHBondContact OG1-N 3.44Å; T121-E124 PolarHBondContact OG1-OE2 2.9Å; E124-L128 WeakPolarHBondContact O-CB 3.46Å; E124-L128 PolarHBondContact O-N 2.96Å; E124-L128 VanDerWaalsContact O-N 3.09Å
125L95.3Very high93.3Very high1 Ų162.9 Ų62.91%0.00532%0.321CS..Hα-helixtrans-66.9-42.9177.8-175.556.7000110.7F89 A105 K109 T121 E122 E123 L128 L129F89-L125 HydrophobicContact CZ-CD1 4.07Å; A105-L125 HydrophobicContact CB-CB 4Å; A105-L125 HydrophobicContact CB-CD2 4Å; A105-L125 HydrophobicContact CB-CG 3.97Å; K109-L125 HydrophobicContact CG-CD2 4.28Å; T121-L125 WeakPolarHBondContact O-CB 3.45Å; T121-L125 PolarHBondContact O-N 3.4Å; E122-L125 PolarHBondContact O-N 2.68Å; E123-L125 VanDerWaalsContact C-N 3.34Å; L125-L128 HydrophobicContact CD1-CD2 4.4Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 PolarHBondContact O-N 2.84Å; L125-L129 HydrophobicContact CG-CD1 4.46Å; L125-L129 VanDerWaalsContact O-CG 3.31Å; L125-L129 WeakPolarHBondContact O-CG 3.31Å; L125-L129 PolarHBondContact O-N 3.34Å
126Q97.1Very high93Very high54 Ų5467.9 Ų67.925%0.25234%0.34SS..Hα-helixtrans-62.4-45.8177-170.562.352.600111.7D103 A105 E122 E123 L128 L129 D130D103-Q126 PolarHBondContact O-NE2 3.41Å; D103-Q126 VanDerWaalsContact O-NE2 3.14Å; A105-Q126 HydrophobicContact CB-CB 4.28Å; E122-Q126 WeakPolarHBondContact O-CB 3.48Å; E122-Q126 PolarHBondContact O-N 2.85Å; E123-Q126 PolarHBondContact O-N 3.2Å; Q126-L128 PolarHBondContact O-N 3.37Å; Q126-L129 PolarHBondContact O-N 3.25Å; Q126-L129 VanDerWaalsContact O-N 3.15Å; Q126-D130 PolarHBondContact NE2-OD1 3.41Å; Q126-D130 PolarHBondContact O-N 2.87Å
127Q96.1Very high92.9Very high133 Ų13366.8 Ų66.862%0.62134%0.342SS*.Hα-helixtrans-58.9-38.4176.8-74.3174.414.100112.3E123 E131E123-Q127 WeakPolarHBondContact O-CB 3.4Å; E123-Q127 VanDerWaalsContact O-CG 3.28Å; E123-Q127 WeakPolarHBondContact O-CG 3.27Å; E123-Q127 PolarHBondContact O-N 2.96Å; Q127-E131 PolarHBondContact O-N 3.04Å
128L95.8Very high92.7Very high8 Ų873.4 Ų73.44%0.04237%0.367CS..Hα-helixtrans-66-44.2176.7-178.269.1000111.8L83 L84 K87 F89 E124 L125 Q126 E131 I132L83-L128 HydrophobicContact CD1-CD1 3.92Å; L83-L128 HydrophobicContact CD2-CD1 3.79Å; L83-L128 HydrophobicContact CG-CD1 3.63Å; L84-L128 HydrophobicContact CD2-CD1 4.5Å; L84-L128 HydrophobicContact CD2-CD2 3.84Å; L84-L128 HydrophobicContact CD2-CG 4.36Å; K87-L128 HydrophobicContact CG-CD1 3.98Å; F89-L128 HydrophobicContact CD2-CD2 4.36Å; F89-L128 HydrophobicContact CE1-CD2 4.46Å; F89-L128 HydrophobicContact CE2-CD2 3.28Å; F89-L128 HydrophobicContact CZ-CD2 3.35Å; E124-L128 WeakPolarHBondContact O-CB 3.46Å; E124-L128 PolarHBondContact O-N 2.96Å; E124-L128 VanDerWaalsContact O-N 3.09Å; L125-L128 HydrophobicContact CD1-CD2 4.4Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 PolarHBondContact O-N 2.84Å; Q126-L128 PolarHBondContact O-N 3.37Å; L128-E131 PolarHBondContact O-N 3.44Å; L128-I132 HydrophobicContact CG-CD1 4.17Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.32Å; L128-I132 PolarHBondContact O-N 3.15Å
129L96.6Very high92.5Very high5 Ų568.6 Ų68.63%0.02633%0.333CS..Hα-helixtrans-60.5-46.9175.6-67.1171.3000110.7L97 P102 T104 S108 L125 Q126 E131 I132 Q133L97-L129 HydrophobicContact CD1-CD2 4.04Å; L97-L129 HydrophobicContact CD2-CD2 4.28Å; L97-L129 HydrophobicContact CG-CD2 4.28Å; P102-L129 HydrophobicContact CG-CD2 3.96Å; T104-L129 VanDerWaalsContact C-CD1 3.43Å; T104-L129 WeakPolarHBondContact O-CD1 3.35Å; S108-L129 VanDerWaalsContact OG-CD1 3.27Å; S108-L129 WeakPolarHBondContact OG-CD1 3.45Å; L125-L129 HydrophobicContact CG-CD1 4.46Å; L125-L129 VanDerWaalsContact O-CG 3.31Å; L125-L129 WeakPolarHBondContact O-CG 3.31Å; L125-L129 PolarHBondContact O-N 3.34Å; Q126-L129 PolarHBondContact O-N 3.25Å; Q126-L129 VanDerWaalsContact O-N 3.15Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 3.09Å; L129-I132 PolarHBondContact O-N 3.45Å; L129-I132 VanDerWaalsContact O-N 3.1Å; L129-Q133 WeakPolarHBondContact O-CB 3.42Å; L129-Q133 VanDerWaalsContact O-CG 3.32Å; L129-Q133 WeakPolarHBondContact O-CG 3.43Å; L129-Q133 PolarHBondContact O-N 3.07Å
130D95.8Very high91.2Very high79 Ų7971 Ų7142%0.42237%0.366SS..Hα-helixtrans-58.5-40.5177.7-63.3-12.7000111.1Q126 Q133 S134Q126-D130 PolarHBondContact NE2-OD1 3.41Å; Q126-D130 PolarHBondContact O-N 2.87Å; D130-Q133 PolarHBondContact O-N 2.98Å; D130-S134 VanDerWaalsContact O-CB 3.29Å; D130-S134 WeakPolarHBondContact O-CB 2.89Å; D130-S134 PolarHBondContact O-N 3.46Å
131E95.1Very high91.3Very high79 Ų7973.4 Ų73.437%0.36938%0.379SS..Hα-helixtrans-64.3-44.7175.5-166.4-175158.400111.7L83 Q127 L128 L129 S134 K135L83-E131 HydrophobicContact CD2-CB 4.25Å; L83-E131 HydrophobicContact CD2-CG 4.03Å; Q127-E131 PolarHBondContact O-N 3.04Å; L128-E131 PolarHBondContact O-N 3.44Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 3.09Å; E131-S134 WeakPolarHBondContact O-CB 3.45Å; E131-S134 PolarHBondContact O-N 3.35Å; E131-K135 WeakPolarHBondContact O-CG 3.23Å; E131-K135 PolarHBondContact O-N 3.07Å; E131-K135 WeakPolarHBondContact OE1-CE 3.19Å; E131-K135 IonicContact OE1-NZ 2.77Å; E131-K135 PolarHBondContact OE1-NZ 2.89Å
132I95Very high91.3Very high2 Ų273.8 Ų73.81%0.0138%0.378CS..Hα-helixtrans-64.2-43.4177.9-64.4166.5000110.4F71 V80 L83 L84 L97 L101 L128 L129 S134 K135 R136F71-I132 HydrophobicContact CE1-CG2 4.34Å; F71-I132 HydrophobicContact CZ-CG2 3.89Å; V80-I132 HydrophobicContact CG1-CG1 4.47Å; V80-I132 HydrophobicContact CG1-CG2 4.18Å; V80-I132 HydrophobicContact CG2-CG2 4.16Å; L83-I132 HydrophobicContact CD2-CG1 3.91Å; L84-I132 HydrophobicContact CD1-CD1 4.27Å; L84-I132 HydrophobicContact CD2-CD1 3.93Å; L84-I132 HydrophobicContact CG-CD1 4.23Å; L97-I132 HydrophobicContact CD2-CD1 4.37Å; L101-I132 HydrophobicContact CD1-CG2 3.57Å; L128-I132 HydrophobicContact CG-CD1 4.17Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.32Å; L128-I132 PolarHBondContact O-N 3.15Å; L129-I132 PolarHBondContact O-N 3.45Å; L129-I132 VanDerWaalsContact O-N 3.1Å; I132-S134 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 3.41Å; I132-K135 PolarHBondContact O-N 2.84Å; I132-R136 WeakPolarHBondContact O-CB 3.42Å; I132-R136 PolarHBondContact O-N 3.13Å
133Q92.4Very high91.2Very high52 Ų5272.7 Ų72.724%0.24338%0.375CS..Hα-helixtrans-63.8-37.8176.9-70.9-165.90.200112.3D103 L129 D130 R136 S137D103-Q133 PolarHBondContact OD1-NE2 3.48Å; L129-Q133 WeakPolarHBondContact O-CB 3.42Å; L129-Q133 VanDerWaalsContact O-CG 3.32Å; L129-Q133 WeakPolarHBondContact O-CG 3.43Å; L129-Q133 PolarHBondContact O-N 3.07Å; D130-Q133 PolarHBondContact O-N 2.98Å; Q133-R136 WeakPolarHBondContact O-CB 3.5Å; Q133-R136 PolarHBondContact O-N 2.97Å; Q133-S137 WeakPolarHBondContact O-CB 3.2Å; Q133-S137 PolarHBondContact O-N 3.27Å; Q133-S137 PolarHBondContact O-OG 3.25Å
134S92.5Very high90.9Very high56 Ų5669.4 Ų69.439%0.39236%0.361SS..Hα-helixtrans-59.7-53.1172.2-172.20000110.6D130 E131 I132 R136 S137 F138D130-S134 VanDerWaalsContact O-CB 3.29Å; D130-S134 WeakPolarHBondContact O-CB 2.89Å; D130-S134 PolarHBondContact O-N 3.46Å; E131-S134 WeakPolarHBondContact O-CB 3.45Å; E131-S134 PolarHBondContact O-N 3.35Å; I132-S134 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 3.41Å; S134-R136 VanDerWaalsContact C-N 3.26Å; S134-R136 PolarHBondContact O-N 3.07Å; S134-S137 PolarHBondContact O-N 3.07Å; S134-F138 WeakPolarHBondContact O-CD2 3.37Å; S134-F138 PolarHBondContact O-N 3.48Å; S134-F138 VanDerWaalsContact O-N 3.11Å; S134-F138 WeakPolarHBondContact OG-CE2 3.39Å
135K91.1Very high90.7Very high48 Ų4867.7 Ų67.721%0.20936%0.356CS..Hα-helixtrans-58.8-37.7177.2-65.9-175.6-156-56.40112.5T76 S79 V80 E131 I132 Q139T76-K135 HydrophobicContact CG2-CB 4.21Å; S79-K135 WeakPolarHBondContact OG-CD 3.3Å; S79-K135 WeakPolarHBondContact OG-CE 3.38Å; V80-K135 HydrophobicContact CG2-CB 4.44Å; V80-K135 HydrophobicContact CG2-CD 4.15Å; E131-K135 WeakPolarHBondContact O-CG 3.23Å; E131-K135 PolarHBondContact O-N 3.07Å; E131-K135 WeakPolarHBondContact OE1-CE 3.19Å; E131-K135 IonicContact OE1-NZ 2.77Å; E131-K135 PolarHBondContact OE1-NZ 2.89Å; I132-K135 PolarHBondContact O-N 2.84Å; K135-Q139 PolarHBondContact O-N 2.71Å
136R88.8Confident90.4Very high105 Ų10572.1 Ų72.140%0.39638%0.379SS..Hα-helixtrans-63.9-41.1174.9-173.3-173.9164.2-147.7-8111.9F71 I132 Q133 S134 Q139F71-R136 HydrophobicContact CD1-CB 4.38Å; F71-R136 HydrophobicContact CD1-CG 4.32Å; F71-R136 HydrophobicContact CE1-CB 3.88Å; F71-R136 HydrophobicContact CE1-CG 4.11Å; I132-R136 WeakPolarHBondContact O-CB 3.42Å; I132-R136 PolarHBondContact O-N 3.13Å; Q133-R136 WeakPolarHBondContact O-CB 3.5Å; Q133-R136 PolarHBondContact O-N 2.97Å; S134-R136 VanDerWaalsContact C-N 3.26Å; S134-R136 PolarHBondContact O-N 3.07Å; R136-Q139 WeakPolarHBondContact O-CG 3.33Å; R136-Q139 PolarHBondContact O-NE2 3.08Å
137S87.5Confident89.9Confident98 Ų9873.4 Ų73.469%0.68539%0.388SS*.Hα-helixtrans-70.8-31.7-177.9-61.80000112.8Q133 S134Q133-S137 WeakPolarHBondContact O-CB 3.2Å; Q133-S137 PolarHBondContact O-N 3.27Å; Q133-S137 PolarHBondContact O-OG 3.25Å; S134-S137 PolarHBondContact O-N 3.07Å
138F84Confident89.4Confident167 Ų16768.8 Ų68.873%0.73237%0.37SS*.THydrogen-bonded Turntrans-89.8-0.2179.5-66.7-65.8000114.4S134 S140S134-F138 WeakPolarHBondContact O-CD2 3.37Å; S134-F138 PolarHBondContact O-N 3.48Å; S134-F138 VanDerWaalsContact O-N 3.11Å; S134-F138 WeakPolarHBondContact OG-CE2 3.39Å; F138-S140 PolarHBondContact O-N 3.25Å
139Q84.4Confident88.9Confident38 Ų3873.9 Ų73.918%0.17840%0.397CS..  trans-69.6125.1177.885-171.4-7000109.9K70 N73 T76 K135 R136K70-Q139 PolarHBondContact O-NE2 3.02Å; N73-Q139 HydrophobicContact CB-CB 3.89Å; T76-Q139 HydrophobicContact CG2-CB 4.14Å; T76-Q139 VanDerWaalsContact OG1-CB 3.32Å; T76-Q139 WeakPolarHBondContact OG1-CB 3.36Å; K135-Q139 PolarHBondContact O-N 2.71Å; R136-Q139 WeakPolarHBondContact O-CG 3.33Å; R136-Q139 PolarHBondContact O-NE2 3.08Å
140S63.8Low88.2Confident158 Ų15880.2 Ų80.2100%1.10543%0.431SS*.  trans-100.20171.4-59.70000110.7N73 F138N73-S140 PolarHBondContact ND2-O 3.39Å; F138-S140 PolarHBondContact O-N 3.25Å

Retrieved 140 of 140 residues in 88.4 ms (Link to these results)

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