A0A077ZR44_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZR44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M51.3Low60.7Low169 Ų16996.4 Ų96.483%0.83352%0.516SS*.  0-44.30-74.5-177.4-173.400113.8T3 N4 L5 L54M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.09Å; M1-N4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-L54 HydrophobicContact CE-CD1 4.48Å; M1-L54 HydrophobicContact CE-CD2 3.64Å; M1-L54 HydrophobicContact SD-CD1 4.19Å; M1-L54 HydrophobicContact SD-CD2 3.95Å
2I54.1Low60.9Low126 Ų12692 Ų9265%0.64650%0.495SS*.Hα-helixtrans-56.1-37.7-177.2-63.8164.3000113.3N4 L5 K6I2-N4 PolarHBondContact O-N 2.83Å; I2-L5 PolarHBondContact O-N 2.68Å; I2-K6 PolarHBondContact O-N 3.33Å
3T61.6Low60.9Low108 Ų10894.2 Ų94.266%0.66350%0.501SS*.Hα-helixtrans-64.6-40.5-178.3-18.70000112.8M1 K6 L7M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.09Å; T3-K6 PolarHBondContact O-N 3.41Å; T3-L7 PolarHBondContact O-N 3.09Å
4N55.1Low60.8Low95 Ų95102.1 Ų102.151%0.50852%0.52SS..Hα-helixtrans-69.2-37178.6-75.8-38.3000112M1 I2 L7 L8M1-N4 PolarHBondContact O-N 2.99Å; I2-N4 PolarHBondContact O-N 2.83Å; N4-L7 PolarHBondContact O-N 2.99Å; N4-L8 PolarHBondContact O-N 2.73Å
5L61.8Low60.6Low102 Ų102100.4 Ų100.453%0.53452%0.517SS..Hα-helixtrans-66.2-40.1177.3-173.161.9000111.9M1 I2 L7 L8 N9M1-L5 PolarHBondContact O-N 3.21Å; I2-L5 PolarHBondContact O-N 2.68Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L8 PolarHBondContact O-N 2.92Å; L5-N9 WeakPolarHBondContact O-CB 3.45Å; L5-N9 VanDerWaalsContact O-CG 3.3Å; L5-N9 PolarHBondContact O-N 3.01Å; L5-N9 PolarHBondContact O-ND2 2.91Å
6K69Low60.2Low150 Ų150102.7 Ų102.765%0.65252%0.522SS*.Hα-helixtrans-61.5-43173.6-71.8-178.5179.3-1790111.4I2 T3 N9 A10I2-K6 PolarHBondContact O-N 3.33Å; T3-K6 PolarHBondContact O-N 3.41Å; K6-N9 PolarHBondContact O-N 3.12Å; K6-A10 WeakPolarHBondContact O-CB 3.36Å; K6-A10 PolarHBondContact O-N 2.82Å
7L62.6Low59.9Low116 Ų116107.3 Ų107.361%0.60754%0.537SS*.Hα-helixtrans-64.8-43.5178.4-133.183.7000112.2T3 N4 L5 A10 C11T3-L7 PolarHBondContact O-N 3.09Å; N4-L7 PolarHBondContact O-N 2.99Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L7-A10 PolarHBondContact O-N 2.89Å; L7-C11 PolarHBondContact O-N 3.45Å
8L62.4Low59.5Low26 Ų26104.6 Ų104.614%0.13653%0.534CS..Hα-helixtrans-64.1-43175.9178.161.4000112N4 L5 A10 C11 T12 L44 H47N4-L8 PolarHBondContact O-N 2.73Å; L5-L8 PolarHBondContact O-N 2.92Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.41Å; L8-C11 WeakPolarHBondContact O-CB 3.06Å; L8-C11 PolarHBondContact O-N 2.9Å; L8-T12 WeakPolarHBondContact O-CB 3.47Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.93Å; L8-L44 HydrophobicContact CD1-CD1 4.19Å; L8-H47 VanDerWaalsContact CB-CD2 3.49Å; L8-H47 WeakPolarHBondContact CB-CD2 3.31Å; L8-H47 HydrophobicContact CD1-CB 4.08Å; L8-H47 VanDerWaalsContact CD1-CD2 3.5Å; L8-H47 WeakPolarHBondContact CD1-CD2 3.36Å; L8-H47 HydrophobicContact CD2-CB 3.81Å; L8-H47 HydrophobicContact CG-CB 4.47Å
9N64.9Low59.4Low85 Ų85108.9 Ų108.946%0.45555%0.549SS..Hα-helixtrans-61.7-44.1176.1-76.9-17.2000110.2L5 K6 C11 T12 Q13L5-N9 WeakPolarHBondContact O-CB 3.45Å; L5-N9 VanDerWaalsContact O-CG 3.3Å; L5-N9 PolarHBondContact O-N 3.01Å; L5-N9 PolarHBondContact O-ND2 2.91Å; K6-N9 PolarHBondContact O-N 3.12Å; N9-C11 VanDerWaalsContact C-N 3.34Å; N9-C11 PolarHBondContact O-N 3.45Å; N9-T12 PolarHBondContact O-N 3.37Å; N9-Q13 WeakPolarHBondContact O-CB 3.31Å; N9-Q13 VanDerWaalsContact O-CG 3.23Å; N9-Q13 WeakPolarHBondContact O-CG 3.27Å; N9-Q13 PolarHBondContact O-N 3.35Å
10A62.8Low59.1Low52 Ų52112.7 Ų112.743%0.4356%0.564SS.*Hα-helixtrans-60-41.5174.500000112.5K6 L7 L8 R14K6-A10 WeakPolarHBondContact O-CB 3.36Å; K6-A10 PolarHBondContact O-N 2.82Å; L7-A10 PolarHBondContact O-N 2.89Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.41Å; A10-R14 PolarHBondContact O-N 3.26Å
11C61.6Low58.6Low31 Ų31110.3 Ų110.321%0.20956%0.562CS.*Hα-helixtrans-63.4-43.5174.9-173.50000112L7 L8 N9 R14 T15L7-C11 PolarHBondContact O-N 3.45Å; L8-C11 WeakPolarHBondContact O-CB 3.06Å; L8-C11 PolarHBondContact O-N 2.9Å; N9-C11 VanDerWaalsContact C-N 3.34Å; N9-C11 PolarHBondContact O-N 3.45Å; C11-R14 WeakPolarHBondContact O-CB 3.38Å; C11-R14 PolarHBondContact O-N 2.92Å; C11-T15 PolarHBondContact O-N 2.82Å
12T63.4Low58.6Low44 Ų44106 Ų10627%0.2755%0.553SS.*Hα-helixtrans-69.1-36.1179.2-54.30000112.4L8 N9 R14 T15 K16L8-T12 WeakPolarHBondContact O-CB 3.47Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.93Å; N9-T12 PolarHBondContact O-N 3.37Å; T12-R14 VanDerWaalsContact C-N 3.28Å; T12-R14 PolarHBondContact O-N 3.42Å; T12-T15 PolarHBondContact O-N 2.84Å; T12-T15 PolarHBondContact O-OG1 2.76Å; T12-K16 PolarHBondContact O-N 2.64Å
13Q61.4Low58.4Low121 Ų121105.7 Ų105.757%0.56556%0.559SS**Hα-helixtrans-64.1-35.3174.5-69.1-61.5-24.900111.4N9 T15 K16 K17N9-Q13 WeakPolarHBondContact O-CB 3.31Å; N9-Q13 VanDerWaalsContact O-CG 3.23Å; N9-Q13 WeakPolarHBondContact O-CG 3.27Å; N9-Q13 PolarHBondContact O-N 3.35Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.84Å; Q13-K16 PolarHBondContact O-N 2.79Å; Q13-K17 PolarHBondContact O-N 2.83Å
14R59.2Low57.7Low204 Ų204108.4 Ų108.477%0.7757%0.569SS**Hα-helixtrans-62.5-35.3173.3-71.7-178.1-169.3-174.83112.5A10 C11 T12A10-R14 PolarHBondContact O-N 3.26Å; C11-R14 WeakPolarHBondContact O-CB 3.38Å; C11-R14 PolarHBondContact O-N 2.92Å; T12-R14 VanDerWaalsContact C-N 3.28Å; T12-R14 PolarHBondContact O-N 3.42Å
15T57.4Low57.6Low77 Ų77110.5 Ų110.547%0.47259%0.585SS.*Hα-helixtrans-80.2-34.4179.863.40000113.1C11 T12 Q13 K17 A18C11-T15 PolarHBondContact O-N 2.82Å; T12-T15 PolarHBondContact O-N 2.84Å; T12-T15 PolarHBondContact O-OG1 2.76Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.84Å; T15-K17 PolarHBondContact O-N 3.45Å; T15-A18 WeakPolarHBondContact O-CB 3.29Å; T15-A18 PolarHBondContact O-N 3.5Å
16K54.9Low57.1Low137 Ų137110 Ų11060%0.59659%0.59SS**Hα-helixtrans-64.5-38.2175.1-72.4-172.9179.1-175.40112.5T12 Q13 A18 K19T12-K16 PolarHBondContact O-N 2.64Å; Q13-K16 PolarHBondContact O-N 2.79Å; K16-A18 PolarHBondContact O-N 3.48Å; K16-K19 PolarHBondContact O-N 3.5Å
17K55.4Low56.5Low181 Ų181109.9 Ų109.979%0.78760%0.602SS**Hα-helixtrans-63.7-23.5176.3-162.1179-178.4-168.60112.8Q13 T15Q13-K17 PolarHBondContact O-N 2.83Å; T15-K17 PolarHBondContact O-N 3.45Å
18A52.3Low56.2Low58 Ų58106.6 Ų106.648%0.47960%0.597SS.*Hα-helixtrans-80.2-17.6-179.500000114T15 K16 H20 A21T15-A18 WeakPolarHBondContact O-CB 3.29Å; T15-A18 PolarHBondContact O-N 3.5Å; K16-A18 PolarHBondContact O-N 3.48Å; A18-H20 VanDerWaalsContact C-N 3.25Å; A18-H20 PolarHBondContact O-N 2.83Å; A18-A21 PolarHBondContact O-N 2.96Å
19K58.1Low55.9Low188 Ų188109.6 Ų109.682%0.81761%0.613SS**THydrogen-bonded Turntrans-72.6-17.4-174.8-139.7-172.7-175-155.30114.1K16K16-K19 PolarHBondContact O-N 3.5Å
20H53.1Low55.7Low183 Ų183113.4 Ų113.485%0.84763%0.626SS**THydrogen-bonded Turntrans-107.91.7172.8-66-73.8000113.1A18A18-H20 VanDerWaalsContact C-N 3.25Å; A18-H20 PolarHBondContact O-N 2.83Å
21A48.8Very low55.9Low63 Ų63117.2 Ų117.252%0.52164%0.639SS.*SBendtrans-88.1119170.100000107.8A18A18-A21 PolarHBondContact O-N 2.96Å
22A50.6Low56.2Low79 Ų79119.9 Ų119.965%0.65365%0.654SS**  trans-47.5140.3171.400000109.9L24A22-L24 PolarHBondContact O-N 3.39Å
23P50.6Low56.1Low119 Ų119123.7 Ų123.777%0.77367%0.672SS**  trans-56.3111.5178.221.6-30.4000108.3T25P23-T25 PolarHBondContact O-N 3.33Å
24L46.9Very low56.5Low166 Ų166122.5 Ų122.587%0.86967%0.673SS**  trans-63104.4174.5-76.8165.8000107.1A22 S26A22-L24 PolarHBondContact O-N 3.39Å; L24-S26 PolarHBondContact O-N 2.81Å
25T52.4Low57.1Low138 Ų138116 Ų11685%0.84766%0.663SS**  trans-67.769.1166.953.90000108.2P23P23-T25 PolarHBondContact O-N 3.33Å
26S50.2Low57.7Low92 Ų92115.7 Ų115.764%0.64366%0.664SS**  trans-107.7108173.6-1700000109L24 G28L24-S26 PolarHBondContact O-N 2.81Å; S26-G28 PolarHBondContact O-N 3.47Å
27T57.5Low58.4Low147 Ų147113.5 Ų113.590%0.90266%0.658SS**  trans-63.42.8178.5-48.10000113.3
28G55.9Low59.4Low48 Ų48106.7 Ų106.750%0.49564%0.639SS.*SBendtrans-103.8115.9176.900000111.8S26S26-G28 PolarHBondContact O-N 3.47Å
29N55.6Low60.3Low88 Ų88112.1 Ų112.147%0.47165%0.649SS.*  trans80.462.7160.7-151.3-13.4000117.9N31 V32N29-N31 PolarHBondContact O-N 3.3Å; N29-N31 PolarHBondContact OD1-N 2.83Å; N29-V32 VanDerWaalsContact CG-CG2 3.5Å; N29-V32 WeakPolarHBondContact ND2-CG2 3.27Å; N29-V32 WeakPolarHBondContact OD1-CB 3.33Å; N29-V32 WeakPolarHBondContact OD1-CG2 3.25Å; N29-V32 PolarHBondContact OD1-N 3.32Å
30K61.7Low60.9Low166 Ų166104.9 Ų104.972%0.72262%0.621SS**Hα-helixtrans-54.7-28.8165-56177-174.8175.90112.4T34K30-T34 WeakPolarHBondContact O-CB 3.49Å; K30-T34 PolarHBondContact O-N 3.29Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 3.49Å
31N66.2Low61.9Low132 Ų132104.4 Ų104.471%0.70661%0.612SS**Hα-helixtrans-73.8-45.1-172.7-60.15.6000112N29 T34 A35N29-N31 PolarHBondContact O-N 3.3Å; N29-N31 PolarHBondContact OD1-N 2.83Å; N31-T34 PolarHBondContact O-N 3.04Å; N31-A35 WeakPolarHBondContact O-CB 3.38Å; N31-A35 PolarHBondContact O-N 3.37Å
32V68Low63Low87 Ų87104.2 Ų104.253%0.52761%0.611SS.*Hα-helixtrans-68.2-39.7179.3167.80000111.9N29 T34 A35 S36N29-V32 VanDerWaalsContact CG-CG2 3.5Å; N29-V32 WeakPolarHBondContact ND2-CG2 3.27Å; N29-V32 WeakPolarHBondContact OD1-CB 3.33Å; N29-V32 WeakPolarHBondContact OD1-CG2 3.25Å; N29-V32 PolarHBondContact OD1-N 3.32Å; V32-T34 VanDerWaalsContact C-N 3.34Å; V32-A35 PolarHBondContact O-N 3.09Å; V32-S36 WeakPolarHBondContact O-CB 3.29Å; V32-S36 PolarHBondContact O-N 3.28Å
33L62.4Low63.9Low124 Ų124101.9 Ų101.965%0.64959%0.589SS**Hα-helixtrans-62.6-42174-88.8148.2000111.5S36 L37L33-S36 PolarHBondContact O-N 3.18Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 3.5Å
34T69.9Low64.8Low95 Ų95100.6 Ų100.658%0.58358%0.576SS**Hα-helixtrans-66.1-40.9177.2-55.70000111.6K30 N31 V32 L37 G38K30-T34 WeakPolarHBondContact O-CB 3.49Å; K30-T34 PolarHBondContact O-N 3.29Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 3.49Å; N31-T34 PolarHBondContact O-N 3.04Å; V32-T34 VanDerWaalsContact C-N 3.34Å; T34-L37 PolarHBondContact O-N 3.21Å; T34-G38 PolarHBondContact O-N 2.91Å
35A70.4Confident65.8Low68 Ų68101.3 Ų101.356%0.56257%0.567SS**Hα-helixtrans-63.8-44.6175.900000112.1N31 V32 G38 Y39N31-A35 WeakPolarHBondContact O-CB 3.38Å; N31-A35 PolarHBondContact O-N 3.37Å; V32-A35 PolarHBondContact O-N 3.09Å; A35-G38 PolarHBondContact O-N 3.37Å; A35-Y39 PolarHBondContact O-N 3.37Å
36S70.3Confident66.5Low71 Ų7197.5 Ų97.550%0.49755%0.549SS..Hα-helixtrans-64.7-41.8176.6-176.20000112.1V32 L33 G38 Y39 C40V32-S36 WeakPolarHBondContact O-CB 3.29Å; V32-S36 PolarHBondContact O-N 3.28Å; L33-S36 PolarHBondContact O-N 3.18Å; S36-G38 VanDerWaalsContact C-N 3.34Å; S36-Y39 PolarHBondContact O-N 2.85Å; S36-C40 WeakPolarHBondContact O-CB 3.25Å; S36-C40 PolarHBondContact O-N 2.71Å; S36-C40 PolarHBondContact O-SG 2.71Å; S36-C40 VanDerWaalsContact O-SG 3.33Å
37L70.1Confident67.1Low90 Ų9094.4 Ų94.447%0.47152%0.524SS..Hα-helixtrans-64.3-39.1173.8-171.474.3000111.5L33 T34 C40 R41L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 3.5Å; T34-L37 PolarHBondContact O-N 3.21Å; L37-C40 PolarHBondContact O-N 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.25Å; L37-R41 WeakPolarHBondContact O-CG 3.48Å; L37-R41 PolarHBondContact O-N 2.7Å
38G75.8Confident67.4Low38 Ų3890.2 Ų90.239%0.39250%0.499SS..Hα-helixtrans-60.5-49174.900000112T34 A35 S36 R41 A42T34-G38 PolarHBondContact O-N 2.91Å; A35-G38 PolarHBondContact O-N 3.37Å; S36-G38 VanDerWaalsContact C-N 3.34Å; G38-R41 PolarHBondContact O-N 3.18Å; G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.28Å; G38-A42 PolarHBondContact O-N 3.27Å
39Y72.7Confident67.5Low173 Ų17392.9 Ų92.968%0.67850%0.501SS*.Hα-helixtrans-61.8-44.9175.7-174.7-93.9000112A35 S36 R41 A42 S43A35-Y39 PolarHBondContact O-N 3.37Å; S36-Y39 PolarHBondContact O-N 2.85Å; Y39-R41 PolarHBondContact O-N 3.28Å; Y39-A42 PolarHBondContact O-N 3.36Å; Y39-S43 VanDerWaalsContact O-CB 3.25Å; Y39-S43 WeakPolarHBondContact O-CB 3.44Å; Y39-S43 PolarHBondContact O-N 3.34Å
40C69.4Low67.9Low36 Ų3691 Ų9124%0.24350%0.495CS..Hα-helixtrans-63.6-42.2177-71.30000112.1S36 L37 L44S36-C40 WeakPolarHBondContact O-CB 3.25Å; S36-C40 PolarHBondContact O-N 2.71Å; S36-C40 PolarHBondContact O-SG 2.71Å; S36-C40 VanDerWaalsContact O-SG 3.33Å; L37-C40 PolarHBondContact O-N 3.23Å; C40-L44 VanDerWaalsContact O-CB 3.25Å; C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 PolarHBondContact O-N 3.18Å
41R75.4Confident67.9Low172 Ų17284.9 Ų84.965%0.64947%0.473SS*.Hα-helixtrans-66.1-42.1176.1-80.5-177.8175.5175.8-0111.8L37 G38 Y39 L44 R45L37-R41 WeakPolarHBondContact O-CB 3.25Å; L37-R41 WeakPolarHBondContact O-CG 3.48Å; L37-R41 PolarHBondContact O-N 2.7Å; G38-R41 PolarHBondContact O-N 3.18Å; Y39-R41 PolarHBondContact O-N 3.28Å; R41-L44 PolarHBondContact O-N 3.15Å; R41-R45 VanDerWaalsContact O-CB 3.27Å; R41-R45 WeakPolarHBondContact O-CB 3.35Å; R41-R45 PolarHBondContact O-N 2.74Å
42A71.4Confident67.8Low60 Ų6083.3 Ų83.350%0.49646%0.464SS..Hα-helixtrans-64.8-43.1176.800000111.4G38 Y39 R45 A46G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.28Å; G38-A42 PolarHBondContact O-N 3.27Å; Y39-A42 PolarHBondContact O-N 3.36Å; A42-R45 PolarHBondContact O-N 2.85Å; A42-A46 WeakPolarHBondContact O-CB 3.09Å; A42-A46 PolarHBondContact O-N 3.37Å
43S69.6Low67.5Low29 Ų2984.9 Ų84.920%0.20347%0.465CS..Hα-helixtrans-65.5-43.5175.9-177.50000111.9Y39 R45 A46 H47Y39-S43 VanDerWaalsContact O-CB 3.25Å; Y39-S43 WeakPolarHBondContact O-CB 3.44Å; Y39-S43 PolarHBondContact O-N 3.34Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 2.89Å; S43-A46 PolarHBondContact O-N 2.91Å; S43-H47 WeakPolarHBondContact O-CB 3.41Å; S43-H47 PolarHBondContact O-N 3.23Å
44L68.5Low67.4Low92 Ų9282.8 Ų82.848%0.48245%0.454SS..Hα-helixtrans-61.9-42.7173.6-175.363.3000110.5L8 C40 R41 H47 T48L8-L44 HydrophobicContact CD1-CD1 4.19Å; C40-L44 VanDerWaalsContact O-CB 3.25Å; C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 PolarHBondContact O-N 3.18Å; R41-L44 PolarHBondContact O-N 3.15Å; L44-H47 CarbonylContact O-C 3.56Å; L44-H47 PolarHBondContact O-N 3.41Å; L44-T48 HydrophobicContact CD1-CG2 4.39Å; L44-T48 HydrophobicContact CG-CG2 4.38Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 VanDerWaalsContact O-CG2 3.25Å; L44-T48 WeakPolarHBondContact O-CG2 3.44Å; L44-T48 PolarHBondContact O-N 2.85Å; L44-T48 PolarHBondContact O-OG1 3.44Å
45R69.3Low67Low182 Ų18286 Ų8669%0.68746%0.456SS*.Hα-helixtrans-63-48.7177-163.1177.3-170.1121.1-0.3111R41 A42 S43 H47 T48 L49R41-R45 VanDerWaalsContact O-CB 3.27Å; R41-R45 WeakPolarHBondContact O-CB 3.35Å; R41-R45 PolarHBondContact O-N 2.74Å; A42-R45 PolarHBondContact O-N 2.85Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 2.89Å; R45-H47 VanDerWaalsContact C-N 3.3Å; R45-H47 PolarHBondContact O-N 2.72Å; R45-T48 VanDerWaalsContact CA-OG1 3.29Å; R45-T48 WeakPolarHBondContact CA-OG1 3.29Å; R45-T48 PolarHBondContact O-N 2.91Å; R45-T48 VanDerWaalsContact O-N 3.15Å; R45-T48 PolarHBondContact O-OG1 2.83Å; R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 3.23Å
46A65.8Low66.4Low57 Ų5785.2 Ų85.247%0.47145%0.449SS..Hα-helixtrans-57.5-43.117600000111.6A42 S43 L49 S50A42-A46 WeakPolarHBondContact O-CB 3.09Å; A42-A46 PolarHBondContact O-N 3.37Å; S43-A46 PolarHBondContact O-N 2.91Å; A46-L49 PolarHBondContact O-N 3.49Å; A46-S50 PolarHBondContact O-N 2.93Å
47H63.6Low66Low28 Ų2886.9 Ų86.913%0.1345%0.451CS..Hα-helixtrans-71.3-33.8175.7-83.4-31.8000114L8 S43 L44 R45 L49 S50 S51L8-H47 VanDerWaalsContact CB-CD2 3.49Å; L8-H47 WeakPolarHBondContact CB-CD2 3.31Å; L8-H47 HydrophobicContact CD1-CB 4.08Å; L8-H47 VanDerWaalsContact CD1-CD2 3.5Å; L8-H47 WeakPolarHBondContact CD1-CD2 3.36Å; L8-H47 HydrophobicContact CD2-CB 3.81Å; L8-H47 HydrophobicContact CG-CB 4.47Å; S43-H47 WeakPolarHBondContact O-CB 3.41Å; S43-H47 PolarHBondContact O-N 3.23Å; L44-H47 CarbonylContact O-C 3.56Å; L44-H47 PolarHBondContact O-N 3.41Å; R45-H47 VanDerWaalsContact C-N 3.3Å; R45-H47 PolarHBondContact O-N 2.72Å; H47-L49 VanDerWaalsContact C-N 3.34Å; H47-S50 WeakPolarHBondContact CA-OG 3.39Å; H47-S50 PolarHBondContact O-OG 3.43Å; H47-S51 WeakPolarHBondContact O-CA 3.13Å; H47-S51 WeakPolarHBondContact O-CB 3.1Å; H47-S51 PolarHBondContact O-N 3.23Å; H47-S51 PolarHBondContact O-OG 2.95Å
48T62.4Low65.8Low59 Ų5985.3 Ų85.336%0.36245%0.448SS..Hα-helixtrans-66.4-39.4172550000110.4L44 R45 S51 I52L44-T48 HydrophobicContact CD1-CG2 4.39Å; L44-T48 HydrophobicContact CG-CG2 4.38Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 VanDerWaalsContact O-CG2 3.25Å; L44-T48 WeakPolarHBondContact O-CG2 3.44Å; L44-T48 PolarHBondContact O-N 2.85Å; L44-T48 PolarHBondContact O-OG1 3.44Å; R45-T48 VanDerWaalsContact CA-OG1 3.29Å; R45-T48 WeakPolarHBondContact CA-OG1 3.29Å; R45-T48 PolarHBondContact O-N 2.91Å; R45-T48 VanDerWaalsContact O-N 3.15Å; R45-T48 PolarHBondContact O-OG1 2.83Å; T48-S51 CarbonylContact O-C 3.56Å; T48-S51 PolarHBondContact O-N 2.88Å; T48-I52 VanDerWaalsContact O-CB 3.29Å; T48-I52 WeakPolarHBondContact O-CB 3.48Å; T48-I52 WeakPolarHBondContact O-CD1 3.36Å; T48-I52 WeakPolarHBondContact O-CG1 3.49Å; T48-I52 PolarHBondContact O-N 2.93Å
49L58.6Low65.2Low103 Ų10387.7 Ų87.754%0.53945%0.452SS..Hα-helixtrans-65.4-45.8175.6-65.9178.3000110.9R45 A46 H47 S51 I52 E53R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 3.49Å; H47-L49 VanDerWaalsContact C-N 3.34Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 3.23Å; L49-I52 PolarHBondContact O-N 3.26Å; L49-E53 WeakPolarHBondContact O-CB 3.5Å; L49-E53 WeakPolarHBondContact O-CG 3.5Å; L49-E53 PolarHBondContact O-N 3.42Å
50S65.1Low65Low49 Ų4980.6 Ų80.634%0.34343%0.431SS..Hα-helixtrans-65-33.8174.972.50000112.5A46 H47 L54A46-S50 PolarHBondContact O-N 2.93Å; H47-S50 WeakPolarHBondContact CA-OG 3.39Å; H47-S50 PolarHBondContact O-OG 3.43Å; S50-L54 VanDerWaalsContact O-CB 3.29Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 VanDerWaalsContact O-CG 3.25Å; S50-L54 WeakPolarHBondContact O-CG 3.08Å; S50-L54 PolarHBondContact O-N 3.3Å
51S60.4Low65.2Low37 Ų3783 Ų8326%0.25944%0.438SS..Hα-helixtrans-74.3-34.2176.9-61.90000111.8H47 T48 L49 R55H47-S51 WeakPolarHBondContact O-CA 3.13Å; H47-S51 WeakPolarHBondContact O-CB 3.1Å; H47-S51 PolarHBondContact O-N 3.23Å; H47-S51 PolarHBondContact O-OG 2.95Å; T48-S51 CarbonylContact O-C 3.56Å; T48-S51 PolarHBondContact O-N 2.88Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 3.23Å; S51-R55 WeakPolarHBondContact O-CB 3.47Å; S51-R55 WeakPolarHBondContact O-CG 3.26Å; S51-R55 PolarHBondContact O-N 3.32Å
52I64.2Low65.1Low100 Ų10079.1 Ų79.151%0.51343%0.43SS..Hα-helixtrans-69.2-42174.5-71.8160.7000109T48 L49 R55 A56T48-I52 VanDerWaalsContact O-CB 3.29Å; T48-I52 WeakPolarHBondContact O-CB 3.48Å; T48-I52 WeakPolarHBondContact O-CD1 3.36Å; T48-I52 WeakPolarHBondContact O-CG1 3.49Å; T48-I52 PolarHBondContact O-N 2.93Å; L49-I52 PolarHBondContact O-N 3.26Å; I52-R55 CarbonylContact O-C 3.59Å; I52-R55 PolarHBondContact O-N 2.82Å; I52-A56 VanDerWaalsContact O-CB 3.26Å; I52-A56 WeakPolarHBondContact O-CB 3.36Å; I52-A56 PolarHBondContact O-N 2.64Å
53E63.1Low65.3Low119 Ų11983.4 Ų83.456%0.55643%0.434SS*.Hα-helixtrans-63.6-50173.6-79.4-61.6136.800112.1L49 R55 A56 I57L49-E53 WeakPolarHBondContact O-CB 3.5Å; L49-E53 WeakPolarHBondContact O-CG 3.5Å; L49-E53 PolarHBondContact O-N 3.42Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 2.77Å; E53-A56 PolarHBondContact O-N 3.02Å; E53-I57 WeakPolarHBondContact O-CG1 3.29Å; E53-I57 PolarHBondContact O-N 2.93Å
54L58.9Low65.7Low81 Ų8188.2 Ų88.242%0.42445%0.448SS..Hα-helixtrans-60.7-39.2175.2-76.9170.7000111.6M1 S50 S58M1-L54 HydrophobicContact CE-CD1 4.48Å; M1-L54 HydrophobicContact CE-CD2 3.64Å; M1-L54 HydrophobicContact SD-CD1 4.19Å; M1-L54 HydrophobicContact SD-CD2 3.95Å; S50-L54 VanDerWaalsContact O-CB 3.29Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 VanDerWaalsContact O-CG 3.25Å; S50-L54 WeakPolarHBondContact O-CG 3.08Å; S50-L54 PolarHBondContact O-N 3.3Å; L54-S58 WeakPolarHBondContact O-CA 3.25Å; L54-S58 WeakPolarHBondContact O-CB 3.23Å; L54-S58 PolarHBondContact O-N 3.19Å
55R61.6Low66.2Low163 Ų16389.6 Ų89.662%0.61545%0.45SS*.Hα-helixtrans-67.5-38.3171.5-76.1175.1-148.6-1356.2111.2S51 I52 E53 S58 N59S51-R55 WeakPolarHBondContact O-CB 3.47Å; S51-R55 WeakPolarHBondContact O-CG 3.26Å; S51-R55 PolarHBondContact O-N 3.32Å; I52-R55 CarbonylContact O-C 3.59Å; I52-R55 PolarHBondContact O-N 2.82Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 2.77Å; R55-S58 CarbonylContact O-C 3.48Å; R55-S58 PolarHBondContact O-N 3.47Å; R55-N59 VanDerWaalsContact O-CA 3.3Å; R55-N59 WeakPolarHBondContact O-CA 2.94Å; R55-N59 WeakPolarHBondContact O-CB 3.3Å; R55-N59 PolarHBondContact O-N 3.38Å; R55-N59 PolarHBondContact O-ND2 2.88Å; R55-N59 VanDerWaalsContact O-ND2 3.09Å; R55-N59 PolarHBondContact O-OD1 3.49Å
56A59.2Low66.8Low51 Ų5184.9 Ų84.942%0.42144%0.436SS..Hα-helixtrans-66.2-46.4-179.700000110.8I52 E53 N59 G60I52-A56 VanDerWaalsContact O-CB 3.26Å; I52-A56 WeakPolarHBondContact O-CB 3.36Å; I52-A56 PolarHBondContact O-N 2.64Å; E53-A56 PolarHBondContact O-N 3.02Å; A56-N59 PolarHBondContact O-N 2.89Å; A56-G60 PolarHBondContact O-N 3.25Å
57I61.9Low67.7Low106 Ų10685.7 Ų85.754%0.54444%0.435SS..Hα-helixtrans-62.4-49.7174.3-61.5166.8000109.8E53 N59 G60 E61E53-I57 WeakPolarHBondContact O-CG1 3.29Å; E53-I57 PolarHBondContact O-N 2.93Å; I57-N59 PolarHBondContact O-N 3.35Å; I57-G60 PolarHBondContact O-N 3.05Å; I57-E61 PolarHBondContact O-N 3.45Å; I57-E61 VanDerWaalsContact O-N 3.15Å
58S64.6Low68.7Low56 Ų5690 Ų9039%0.39246%0.458SS..Hα-helixtrans-65.9-36.5179.3-175.60000112.3L54 R55 G60 E61 I62L54-S58 WeakPolarHBondContact O-CA 3.25Å; L54-S58 WeakPolarHBondContact O-CB 3.23Å; L54-S58 PolarHBondContact O-N 3.19Å; R55-S58 CarbonylContact O-C 3.48Å; R55-S58 PolarHBondContact O-N 3.47Å; S58-G60 VanDerWaalsContact C-N 3.33Å; S58-E61 PolarHBondContact O-N 2.67Å; S58-I62 VanDerWaalsContact O-CB 3.29Å; S58-I62 WeakPolarHBondContact O-CB 3.48Å; S58-I62 VanDerWaalsContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CG1 3.19Å; S58-I62 PolarHBondContact O-N 3.48Å; S58-I62 VanDerWaalsContact OG-CD1 3.28Å; S58-I62 WeakPolarHBondContact OG-CD1 3.28Å
59N64.5Low69.7Low89 Ų8991.1 Ų91.148%0.47646%0.462SS..Hα-helixtrans-69.3-37.3179.2-71.5-14.8000109.3R55 A56 I57 E61 I62 Y63R55-N59 VanDerWaalsContact O-CA 3.3Å; R55-N59 WeakPolarHBondContact O-CA 2.94Å; R55-N59 WeakPolarHBondContact O-CB 3.3Å; R55-N59 PolarHBondContact O-N 3.38Å; R55-N59 PolarHBondContact O-ND2 2.88Å; R55-N59 VanDerWaalsContact O-ND2 3.09Å; R55-N59 PolarHBondContact O-OD1 3.49Å; A56-N59 PolarHBondContact O-N 2.89Å; I57-N59 PolarHBondContact O-N 3.35Å; N59-E61 VanDerWaalsContact C-N 3.35Å; N59-I62 PolarHBondContact O-N 3.02Å; N59-Y63 WeakPolarHBondContact O-CB 3.05Å; N59-Y63 PolarHBondContact O-N 3.09Å
60G68.1Low70.8Confident24 Ų2490.4 Ų90.425%0.24746%0.458CS..Hα-helixtrans-57.9-47.8171.600000111.6A56 I57 S58 R64A56-G60 PolarHBondContact O-N 3.25Å; I57-G60 PolarHBondContact O-N 3.05Å; S58-G60 VanDerWaalsContact C-N 3.33Å; G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 3.37Å; G60-R64 PolarHBondContact O-NH1 3.31Å
61E73Confident71.8Confident85 Ų8592 Ų9240%0.39747%0.469SS..Hα-helixtrans-66-46.8174.2-64.4-57.8157.300112.4I57 S58 N59 Y63 R64 F65I57-E61 PolarHBondContact O-N 3.45Å; I57-E61 VanDerWaalsContact O-N 3.15Å; S58-E61 PolarHBondContact O-N 2.67Å; N59-E61 VanDerWaalsContact C-N 3.35Å; E61-Y63 VanDerWaalsContact C-N 3.27Å; E61-Y63 PolarHBondContact O-N 3.39Å; E61-R64 WeakPolarHBondContact O-CB 3.29Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 IonicContact OE1-CZ 3.58Å; E61-R64 IonicContact OE1-NE 3.74Å; E61-R64 IonicContact OE1-NH2 2.65Å; E61-R64 PolarHBondContact OE1-NH2 3.44Å; E61-R64 IonicContact OE2-CZ 3.54Å; E61-R64 IonicContact OE2-NE 2.98Å; E61-R64 PolarHBondContact OE2-NE 2.94Å; E61-R64 IonicContact OE2-NH2 3.31Å; E61-R64 PolarHBondContact OE2-NH2 2.62Å; E61-F65 HydrophobicContact CB-CD2 4.4Å; E61-F65 HydrophobicContact CB-CE2 4.2Å; E61-F65 WeakPolarHBondContact O-CD2 2.97Å; E61-F65 PolarHBondContact O-N 3.46Å
62I73.6Confident72.9Confident92 Ų9294.6 Ų94.647%0.47248%0.48SS..Hα-helixtrans-59-40.3179.2-70.1160.1000110.5S58 N59 F65 H66S58-I62 VanDerWaalsContact O-CB 3.29Å; S58-I62 WeakPolarHBondContact O-CB 3.48Å; S58-I62 VanDerWaalsContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CG1 3.19Å; S58-I62 PolarHBondContact O-N 3.48Å; S58-I62 VanDerWaalsContact OG-CD1 3.28Å; S58-I62 WeakPolarHBondContact OG-CD1 3.28Å; N59-I62 PolarHBondContact O-N 3.02Å; I62-F65 PolarHBondContact O-N 3.14Å; I62-H66 WeakPolarHBondContact O-CB 3.4Å; I62-H66 PolarHBondContact O-N 2.84Å
63Y76.4Confident73.7Confident149 Ų14990.5 Ų90.558%0.58446%0.458SS*.Hα-helixtrans-67.1-40.9178.5-170.5-97.2000111.5N59 E61 H66 V67N59-Y63 WeakPolarHBondContact O-CB 3.05Å; N59-Y63 PolarHBondContact O-N 3.09Å; E61-Y63 VanDerWaalsContact C-N 3.27Å; E61-Y63 PolarHBondContact O-N 3.39Å; Y63-H66 WeakPolarHBondContact O-CB 3.26Å; Y63-H66 PolarHBondContact O-N 3.23Å; Y63-V67 HydrophobicContact CD1-CG2 4.23Å; Y63-V67 HydrophobicContact CE1-CG2 3.88Å; Y63-V67 WeakPolarHBondContact O-CG2 3.19Å; Y63-V67 PolarHBondContact O-N 2.7Å
64R77.9Confident74.7Confident130 Ų13092.4 Ų92.449%0.49147%0.465SS..Hα-helixtrans-58.9-51172.5-74.9-175.2-82.6-83.614.7111.3G60 E61 H66 V67 L68G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 3.37Å; G60-R64 PolarHBondContact O-NH1 3.31Å; E61-R64 WeakPolarHBondContact O-CB 3.29Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 IonicContact OE1-CZ 3.58Å; E61-R64 IonicContact OE1-NE 3.74Å; E61-R64 IonicContact OE1-NH2 2.65Å; E61-R64 PolarHBondContact OE1-NH2 3.44Å; E61-R64 IonicContact OE2-CZ 3.54Å; E61-R64 IonicContact OE2-NE 2.98Å; E61-R64 PolarHBondContact OE2-NE 2.94Å; E61-R64 IonicContact OE2-NH2 3.31Å; E61-R64 PolarHBondContact OE2-NH2 2.62Å; R64-H66 VanDerWaalsContact C-N 3.3Å; R64-H66 PolarHBondContact O-N 3.15Å; R64-V67 PolarHBondContact O-N 2.77Å; R64-L68 WeakPolarHBondContact O-CG 3.43Å; R64-L68 PolarHBondContact O-N 3.39Å
65F79.1Confident75.9Confident121 Ų12193 Ų9353%0.53147%0.472SS..Hα-helixtrans-61.5-38.9176.2-70.7-65.3000111.8E61 I62 V67 L68 L69E61-F65 HydrophobicContact CB-CD2 4.4Å; E61-F65 HydrophobicContact CB-CE2 4.2Å; E61-F65 WeakPolarHBondContact O-CD2 2.97Å; E61-F65 PolarHBondContact O-N 3.46Å; I62-F65 PolarHBondContact O-N 3.14Å; F65-V67 PolarHBondContact O-N 3.31Å; F65-L68 PolarHBondContact O-N 2.74Å; F65-L69 VanDerWaalsContact O-CB 3.25Å; F65-L69 WeakPolarHBondContact O-CB 3.06Å; F65-L69 WeakPolarHBondContact O-CG 3.3Å; F65-L69 PolarHBondContact O-N 3.44Å
66H81Confident76.9Confident84 Ų8487.5 Ų87.539%0.38945%0.454SS..Hα-helixtrans-61.3-44.4178.8-178.3-90.2000112.3I62 Y63 R64 N70I62-H66 WeakPolarHBondContact O-CB 3.4Å; I62-H66 PolarHBondContact O-N 2.84Å; Y63-H66 WeakPolarHBondContact O-CB 3.26Å; Y63-H66 PolarHBondContact O-N 3.23Å; R64-H66 VanDerWaalsContact C-N 3.3Å; R64-H66 PolarHBondContact O-N 3.15Å; H66-N70 VanDerWaalsContact O-CB 3.26Å; H66-N70 WeakPolarHBondContact O-CB 3.5Å; H66-N70 PolarHBondContact O-N 3.45Å
67V84.1Confident77.5Confident74 Ų7489.6 Ų89.645%0.44845%0.454SS..Hα-helixtrans-63.8-45.2176.8174.50000111.1Y63 R64 F65 N70 S71Y63-V67 HydrophobicContact CD1-CG2 4.23Å; Y63-V67 HydrophobicContact CE1-CG2 3.88Å; Y63-V67 WeakPolarHBondContact O-CG2 3.19Å; Y63-V67 PolarHBondContact O-N 2.7Å; R64-V67 PolarHBondContact O-N 2.77Å; F65-V67 PolarHBondContact O-N 3.31Å; V67-N70 PolarHBondContact O-N 3.18Å; V67-S71 PolarHBondContact O-N 3.14Å; V67-S71 VanDerWaalsContact O-N 3.12Å
68L85.1Confident78.4Confident118 Ų11891.5 Ų91.562%0.61847%0.465SS*.Hα-helixtrans-62.8-46.6178.1-67.9174.4000111.9R64 F65 S71 L72R64-L68 WeakPolarHBondContact O-CG 3.43Å; R64-L68 PolarHBondContact O-N 3.39Å; F65-L68 PolarHBondContact O-N 2.74Å; L68-S71 PolarHBondContact O-N 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.15Å; L68-L72 PolarHBondContact O-N 3.32Å
69L83.2Confident79.1Confident83 Ų8395 Ų9544%0.43547%0.474SS..Hα-helixtrans-60.2-47.9175.8-72.1175000110F65 S71 L72 F73F65-L69 VanDerWaalsContact O-CB 3.25Å; F65-L69 WeakPolarHBondContact O-CB 3.06Å; F65-L69 WeakPolarHBondContact O-CG 3.3Å; F65-L69 PolarHBondContact O-N 3.44Å; L69-S71 VanDerWaalsContact C-N 3.28Å; L69-S71 PolarHBondContact O-N 2.65Å; L69-L72 PolarHBondContact O-N 3.35Å; L69-F73 HydrophobicContact CB-CD2 4.03Å; L69-F73 HydrophobicContact CB-CE2 3.87Å; L69-F73 HydrophobicContact CD2-CE2 3.94Å; L69-F73 HydrophobicContact CG-CE2 4.39Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 WeakPolarHBondContact O-CG 3.03Å; L69-F73 PolarHBondContact O-N 2.98Å
70N82.9Confident79.7Confident87 Ų8793.7 Ų93.747%0.46547%0.47SS..Hα-helixtrans-54.4-44.5179.5-171.1-84.2000112.4H66 V67 K74H66-N70 VanDerWaalsContact O-CB 3.26Å; H66-N70 WeakPolarHBondContact O-CB 3.5Å; H66-N70 PolarHBondContact O-N 3.45Å; V67-N70 PolarHBondContact O-N 3.18Å; N70-K74 WeakPolarHBondContact O-CB 3.25Å; N70-K74 PolarHBondContact O-N 2.85Å
71S86.1Confident80.1Confident82 Ų8294.5 Ų94.557%0.57347%0.471SS*.Hα-helixtrans-66.2-48177-170.90000112.6V67 L68 L69 F73 K74 V75V67-S71 PolarHBondContact O-N 3.14Å; V67-S71 VanDerWaalsContact O-N 3.12Å; L68-S71 PolarHBondContact O-N 3.31Å; L69-S71 VanDerWaalsContact C-N 3.28Å; L69-S71 PolarHBondContact O-N 2.65Å; S71-F73 VanDerWaalsContact C-N 3.29Å; S71-F73 PolarHBondContact O-N 3.17Å; S71-K74 WeakPolarHBondContact O-CB 3.49Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-K74 VanDerWaalsContact O-N 3.09Å; S71-V75 PolarHBondContact O-N 2.82Å
72L83.3Confident80.3Confident92 Ų9299.8 Ų99.848%0.48249%0.488SS..Hα-helixtrans-58.8-42.2177178.763.4000111.6L68 L69 K74 V75 L76L68-L72 WeakPolarHBondContact O-CB 3.15Å; L68-L72 PolarHBondContact O-N 3.32Å; L69-L72 PolarHBondContact O-N 3.35Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 2.77Å; L72-V75 HydrophobicContact CD1-CG1 4.37Å; L72-V75 WeakPolarHBondContact O-CG1 3.46Å; L72-V75 PolarHBondContact O-N 3.41Å; L72-L76 HydrophobicContact CD1-CD1 3.99Å; L72-L76 HydrophobicContact CG-CD1 4.44Å; L72-L76 WeakPolarHBondContact O-CB 3.11Å; L72-L76 WeakPolarHBondContact O-CD1 3.4Å; L72-L76 PolarHBondContact O-N 3.32Å; L72-L76 VanDerWaalsContact O-N 3.09Å
73F81Confident80.8Confident14 Ų14102.7 Ų102.76%0.06149%0.494CS..Hα-helixtrans-67.6-36.3177.3-75.3-64.2000112L69 S71 V75 L76 F77 V92 R96L69-F73 HydrophobicContact CB-CD2 4.03Å; L69-F73 HydrophobicContact CB-CE2 3.87Å; L69-F73 HydrophobicContact CD2-CE2 3.94Å; L69-F73 HydrophobicContact CG-CE2 4.39Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 WeakPolarHBondContact O-CG 3.03Å; L69-F73 PolarHBondContact O-N 2.98Å; S71-F73 VanDerWaalsContact C-N 3.29Å; S71-F73 PolarHBondContact O-N 3.17Å; F73-V75 VanDerWaalsContact C-N 3.28Å; F73-V75 PolarHBondContact O-N 3.36Å; F73-L76 CarbonylContact O-C 3.58Å; F73-L76 PolarHBondContact O-N 3.47Å; F73-F77 HydrophobicContact CB-CD2 4.05Å; F73-F77 HydrophobicContact CB-CE2 3.96Å; F73-F77 HydrophobicContact CD1-CE2 4.06Å; F73-F77 HydrophobicContact CG-CE2 4.36Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 3Å; F73-V92 HydrophobicContact CE1-CG1 3.59Å; F73-V92 HydrophobicContact CZ-CG1 3.32Å; F73-R96 VanDerWaalsContact CD1-CD 3.44Å; F73-R96 HydrophobicContact CE2-CG 4.27Å; F73-R96 VanDerWaalsContact CZ-CD 3.43Å; F73-R96 HydrophobicContact CZ-CG 4.26Å
74K83.1Confident81Confident160 Ų16097.7 Ų97.770%0.69648%0.477SS*.Hα-helixtrans-59.9-37.6178.2-169.4163.9177.91650112.6N70 S71 L72 N78N70-K74 WeakPolarHBondContact O-CB 3.25Å; N70-K74 PolarHBondContact O-N 2.85Å; S71-K74 WeakPolarHBondContact O-CB 3.49Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-K74 VanDerWaalsContact O-N 3.09Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 2.77Å; K74-N78 PolarHBondContact O-N 3.4Å
75V84.7Confident81Confident94 Ų9497.6 Ų97.657%0.5748%0.48SS*.Hα-helixtrans-73-38.2172.3620000111.9S71 L72 F73 F77 N78 F79S71-V75 PolarHBondContact O-N 2.82Å; L72-V75 HydrophobicContact CD1-CG1 4.37Å; L72-V75 WeakPolarHBondContact O-CG1 3.46Å; L72-V75 PolarHBondContact O-N 3.41Å; F73-V75 VanDerWaalsContact C-N 3.28Å; F73-V75 PolarHBondContact O-N 3.36Å; V75-F77 PolarHBondContact O-N 2.93Å; V75-N78 WeakPolarHBondContact O-CB 3.41Å; V75-N78 PolarHBondContact O-N 3.45Å; V75-F79 PolarHBondContact O-N 3.01Å
76L81.7Confident81.2Confident46 Ų4695.8 Ų95.824%0.24149%0.488CS..Hα-helixtrans-67.9-32.3178.7-100.460.1000114.5L72 F73 F79 L84L72-L76 HydrophobicContact CD1-CD1 3.99Å; L72-L76 HydrophobicContact CG-CD1 4.44Å; L72-L76 WeakPolarHBondContact O-CB 3.11Å; L72-L76 WeakPolarHBondContact O-CD1 3.4Å; L72-L76 PolarHBondContact O-N 3.32Å; L72-L76 VanDerWaalsContact O-N 3.09Å; F73-L76 CarbonylContact O-C 3.58Å; F73-L76 PolarHBondContact O-N 3.47Å; L76-F79 WeakPolarHBondContact O-CB 2.91Å; L76-F79 PolarHBondContact O-N 3Å; L76-L84 HydrophobicContact CB-CD1 4.12Å; L76-L84 HydrophobicContact CD2-CD1 3.25Å; L76-L84 HydrophobicContact CG-CD1 3.44Å; L76-L84 VanDerWaalsContact CG-CD1 3.44Å
77F73.4Confident81.4Confident96 Ų9698.2 Ų98.242%0.42150%0.502SS..Hα-helixtrans-79.7-20.8175.5-80.4-72.9000113.2F73 V75 F79 F93 R96F73-F77 HydrophobicContact CB-CD2 4.05Å; F73-F77 HydrophobicContact CB-CE2 3.96Å; F73-F77 HydrophobicContact CD1-CE2 4.06Å; F73-F77 HydrophobicContact CG-CE2 4.36Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 3Å; V75-F77 PolarHBondContact O-N 2.93Å; F77-F79 VanDerWaalsContact C-N 3.28Å; F77-F79 CarbonylContact C-O 3.58Å; F77-F93 HydrophobicContact CE1-CD1 4.32Å; F77-F93 HydrophobicContact CE1-CE1 4.04Å; F77-F93 HydrophobicContact CE2-CE1 4.49Å; F77-F93 AromaticContact CZ-CD1 3.94Å; F77-F93 HydrophobicContact CZ-CD1 3.94Å; F77-F93 AromaticContact CZ-CE1 3.79Å; F77-F93 HydrophobicContact CZ-CE1 3.79Å; F77-R96 VanDerWaalsContact CE2-CZ 3.44Å; F77-R96 VanDerWaalsContact CE2-NE 3.31Å
78N79.4Confident81.2Confident146 Ų14697.2 Ų97.278%0.78151%0.507SS*.Hα-helixtrans-68.3-36169.2-170.7-81.5000110.3K74 V75K74-N78 PolarHBondContact O-N 3.4Å; V75-N78 WeakPolarHBondContact O-CB 3.41Å; V75-N78 PolarHBondContact O-N 3.45Å
79F80.2Confident80.9Confident130 Ų13095.2 Ų95.257%0.5750%0.496SS*.SBendtrans-70.1143.7165.3-140.9-100.3000109.7V75 L76 F77 S81 Y83V75-F79 PolarHBondContact O-N 3.01Å; L76-F79 WeakPolarHBondContact O-CB 2.91Å; L76-F79 PolarHBondContact O-N 3Å; F77-F79 VanDerWaalsContact C-N 3.28Å; F77-F79 CarbonylContact C-O 3.58Å; F79-S81 PolarHBondContact O-N 3.09Å; F79-Y83 AromaticContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CE2 4.45Å; F79-Y83 AromaticContact CE1-CD2 3.48Å; F79-Y83 HydrophobicContact CE1-CD2 3.48Å; F79-Y83 VanDerWaalsContact CE1-CD2 3.48Å; F79-Y83 AromaticContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CG 4.19Å
80P76Confident80.6Confident61 Ų6193.7 Ų93.740%0.39649%0.491SS..  trans-58.8101.6172-19.630.9000108.3R82 Y83P80-R82 PolarHBondContact O-N 3.4Å; P80-Y83 HydrophobicContact CB-CD2 4.26Å; P80-Y83 HydrophobicContact CB-CE2 4.2Å; P80-Y83 HydrophobicContact CG-CE2 4.25Å; P80-Y83 WeakPolarHBondContact O-CD2 3Å; P80-Y83 PolarHBondContact O-N 3.26Å; P80-Y83 VanDerWaalsContact O-N 3.09Å
81S77.1Confident80.2Confident40 Ų4093.1 Ų93.128%0.2850%0.498SS..THydrogen-bonded Turntrans-54.3-13.4-177.455.70000113.4F79 Y83 L84 F85F79-S81 PolarHBondContact O-N 3.09Å; S81-Y83 PolarHBondContact O-N 3.36Å; S81-L84 PolarHBondContact O-N 3.13Å; S81-F85 PolarHBondContact O-N 3.18Å
82R76.4Confident79.7Confident197 Ų19792.1 Ų92.174%0.74349%0.488SS*.Hα-helixtrans-46.4-36.5168.2-62.5-163-70.8-159.6-1.1113.8P80 A86P80-R82 PolarHBondContact O-N 3.4Å; R82-A86 PolarHBondContact O-N 3.2Å; R82-A86 VanDerWaalsContact O-N 3.08Å
83Y84.2Confident79.1Confident153 Ų15389.5 Ų89.560%0.647%0.473SS*.Hα-helixtrans-70.6-38.4178.7-67.3-74.8000112.8F79 P80 S81 F85 A86 I87F79-Y83 AromaticContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CE2 4.45Å; F79-Y83 AromaticContact CE1-CD2 3.48Å; F79-Y83 HydrophobicContact CE1-CD2 3.48Å; F79-Y83 VanDerWaalsContact CE1-CD2 3.48Å; F79-Y83 AromaticContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CG 4.19Å; P80-Y83 HydrophobicContact CB-CD2 4.26Å; P80-Y83 HydrophobicContact CB-CE2 4.2Å; P80-Y83 HydrophobicContact CG-CE2 4.25Å; P80-Y83 WeakPolarHBondContact O-CD2 3Å; P80-Y83 PolarHBondContact O-N 3.26Å; P80-Y83 VanDerWaalsContact O-N 3.09Å; S81-Y83 PolarHBondContact O-N 3.36Å; Y83-F85 VanDerWaalsContact C-N 3.35Å; Y83-A86 WeakPolarHBondContact O-CB 3.42Å; Y83-A86 PolarHBondContact O-N 2.99Å; Y83-I87 PolarHBondContact O-N 3.23Å; Y83-I87 VanDerWaalsContact O-N 3.16Å
84L80.5Confident78.4Confident43 Ų4391.6 Ų91.623%0.22549%0.489CS..Hα-helixtrans-75-29.7177.8-61.8-178.7000112.2L76 S81 A86 I87 L89 F93L76-L84 HydrophobicContact CB-CD1 4.12Å; L76-L84 HydrophobicContact CD2-CD1 3.25Å; L76-L84 HydrophobicContact CG-CD1 3.44Å; L76-L84 VanDerWaalsContact CG-CD1 3.44Å; S81-L84 PolarHBondContact O-N 3.13Å; L84-A86 VanDerWaalsContact C-N 3.32Å; L84-I87 PolarHBondContact O-N 3.09Å; L84-L89 HydrophobicContact CB-CB 4.49Å; L84-L89 HydrophobicContact CB-CD1 4.34Å; L84-L89 HydrophobicContact CD2-CD1 4.03Å; L84-L89 WeakPolarHBondContact O-CB 3.46Å; L84-L89 PolarHBondContact O-N 3.12Å; L84-L89 VanDerWaalsContact O-N 3.09Å; L84-F93 HydrophobicContact CB-CE2 3.6Å; L84-F93 HydrophobicContact CB-CZ 3.76Å; L84-F93 HydrophobicContact CD1-CE2 4.44Å; L84-F93 HydrophobicContact CD1-CZ 3.93Å
85F79.6Confident77.6Confident128 Ų12890.2 Ų90.256%0.56149%0.489SS*.Hα-helixtrans-61.9-43.3168.7-173.5-93.5000110.8S81 Y83 I87 G88 V90S81-F85 PolarHBondContact O-N 3.18Å; Y83-F85 VanDerWaalsContact C-N 3.35Å; F85-I87 VanDerWaalsContact C-N 3.35Å; F85-I87 PolarHBondContact O-N 3.35Å; F85-G88 PolarHBondContact O-N 2.83Å; F85-V90 HydrophobicContact CD2-CB 4.29Å; F85-V90 HydrophobicContact CD2-CG1 4.16Å; F85-V90 HydrophobicContact CD2-CG2 3.53Å; F85-V90 HydrophobicContact CE2-CB 4.15Å; F85-V90 HydrophobicContact CE2-CG1 3.65Å; F85-V90 HydrophobicContact CE2-CG2 3.5Å; F85-V90 VanDerWaalsContact CE2-CG2 3.5Å; F85-V90 HydrophobicContact CG-CG2 4.13Å; F85-V90 HydrophobicContact CZ-CG2 4.07Å
86A83.1Confident76.5Confident84 Ų8489.9 Ų89.969%0.69448%0.478SS*.Hα-helixtrans-64-35.1178.400000113.5R82 Y83 L84 G88R82-A86 PolarHBondContact O-N 3.2Å; R82-A86 VanDerWaalsContact O-N 3.08Å; Y83-A86 WeakPolarHBondContact O-CB 3.42Å; Y83-A86 PolarHBondContact O-N 2.99Å; L84-A86 VanDerWaalsContact C-N 3.32Å; A86-G88 PolarHBondContact O-N 3.16Å
87I83.6Confident75.4Confident134 Ų13498.7 Ų98.769%0.68751%0.508SS*.THydrogen-bonded Turntrans-77.9-2.1178.7-141.8165.4000113.6Y83 L84 F85 L89Y83-I87 PolarHBondContact O-N 3.23Å; Y83-I87 VanDerWaalsContact O-N 3.16Å; L84-I87 PolarHBondContact O-N 3.09Å; F85-I87 VanDerWaalsContact C-N 3.35Å; F85-I87 PolarHBondContact O-N 3.35Å; I87-L89 HydrophobicContact CG2-CD1 4.06Å; I87-L89 HydrophobicContact CG2-CG 3.78Å
88G80.7Confident74.7Confident53 Ų5399.7 Ų99.755%0.54652%0.518SS..THydrogen-bonded Turntrans92.113.417700000115F85 A86 V90F85-G88 PolarHBondContact O-N 2.83Å; A86-G88 PolarHBondContact O-N 3.16Å; G88-V90 PolarHBondContact O-N 3.26Å
89L78.5Confident73.6Confident76 Ų7695.8 Ų95.840%0.39850%0.501SS..THydrogen-bonded Turntrans-77.119.3173-64.9178.6000113.3L84 I87 A91 V92 F93L84-L89 HydrophobicContact CB-CB 4.49Å; L84-L89 HydrophobicContact CB-CD1 4.34Å; L84-L89 HydrophobicContact CD2-CD1 4.03Å; L84-L89 WeakPolarHBondContact O-CB 3.46Å; L84-L89 PolarHBondContact O-N 3.12Å; L84-L89 VanDerWaalsContact O-N 3.09Å; I87-L89 HydrophobicContact CG2-CD1 4.06Å; I87-L89 HydrophobicContact CG2-CG 3.78Å; L89-A91 PolarHBondContact O-N 3.13Å; L89-V92 HydrophobicContact CD2-CG2 4.42Å; L89-V92 WeakPolarHBondContact O-CB 3.24Å; L89-V92 PolarHBondContact O-N 3.49Å; L89-F93 HydrophobicContact CB-CE2 4.34Å; L89-F93 VanDerWaalsContact O-CD2 3.24Å; L89-F93 WeakPolarHBondContact O-CD2 3.49Å; L89-F93 PolarHBondContact O-N 3.44Å
90V77.2Confident72.1Confident52 Ų5294.1 Ų94.132%0.31550%0.504SS..Hα-helixtrans-52.2-41.1-179.9-174.90000111.7F85 G88 V92 F93 S94F85-V90 HydrophobicContact CD2-CB 4.29Å; F85-V90 HydrophobicContact CD2-CG1 4.16Å; F85-V90 HydrophobicContact CD2-CG2 3.53Å; F85-V90 HydrophobicContact CE2-CB 4.15Å; F85-V90 HydrophobicContact CE2-CG1 3.65Å; F85-V90 HydrophobicContact CE2-CG2 3.5Å; F85-V90 VanDerWaalsContact CE2-CG2 3.5Å; F85-V90 HydrophobicContact CG-CG2 4.13Å; F85-V90 HydrophobicContact CZ-CG2 4.07Å; G88-V90 PolarHBondContact O-N 3.26Å; V90-V92 PolarHBondContact O-N 2.98Å; V90-F93 CarbonylContact O-C 3.35Å; V90-F93 WeakPolarHBondContact O-CA 3.45Å; V90-F93 WeakPolarHBondContact O-CB 3.41Å; V90-F93 PolarHBondContact O-N 3.13Å; V90-S94 PolarHBondContact O-N 3.23Å; V90-S94 PolarHBondContact O-OG 3.46Å
91A74Confident71Confident75 Ų7597.5 Ų97.562%0.6253%0.526SS*.Hα-helixtrans-58.1-35.9179.700000113.2L89 F93 L95L89-A91 PolarHBondContact O-N 3.13Å; A91-F93 VanDerWaalsContact C-N 3.33Å; A91-L95 PolarHBondContact O-N 3.09Å; A91-L95 VanDerWaalsContact O-N 3.13Å
92V76.1Confident69.7Low61 Ų6198.2 Ų98.237%0.3753%0.534SS..Hα-helixtrans-70.4-34.2177.8-175.80000110.8F73 L89 V90 R96F73-V92 HydrophobicContact CE1-CG1 3.59Å; F73-V92 HydrophobicContact CZ-CG1 3.32Å; L89-V92 HydrophobicContact CD2-CG2 4.42Å; L89-V92 WeakPolarHBondContact O-CB 3.24Å; L89-V92 PolarHBondContact O-N 3.49Å; V90-V92 PolarHBondContact O-N 2.98Å; V92-R96 PolarHBondContact O-N 3.49Å
93F70.9Confident68.6Low36 Ų3695.4 Ų95.416%0.15853%0.533CS..Hα-helixtrans-74.2-40.5174.8-68.9-75.9000112.5F77 L84 L89 V90 A91 L95 R96 W97F77-F93 HydrophobicContact CE1-CD1 4.32Å; F77-F93 HydrophobicContact CE1-CE1 4.04Å; F77-F93 HydrophobicContact CE2-CE1 4.49Å; F77-F93 AromaticContact CZ-CD1 3.94Å; F77-F93 HydrophobicContact CZ-CD1 3.94Å; F77-F93 AromaticContact CZ-CE1 3.79Å; F77-F93 HydrophobicContact CZ-CE1 3.79Å; L84-F93 HydrophobicContact CB-CE2 3.6Å; L84-F93 HydrophobicContact CB-CZ 3.76Å; L84-F93 HydrophobicContact CD1-CE2 4.44Å; L84-F93 HydrophobicContact CD1-CZ 3.93Å; L89-F93 HydrophobicContact CB-CE2 4.34Å; L89-F93 VanDerWaalsContact O-CD2 3.24Å; L89-F93 WeakPolarHBondContact O-CD2 3.49Å; L89-F93 PolarHBondContact O-N 3.44Å; V90-F93 CarbonylContact O-C 3.35Å; V90-F93 WeakPolarHBondContact O-CA 3.45Å; V90-F93 WeakPolarHBondContact O-CB 3.41Å; V90-F93 PolarHBondContact O-N 3.13Å; A91-F93 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 2.86Å; F93-R96 PolarHBondContact O-N 3.02Å; F93-W97 PolarHBondContact O-N 2.8Å; F93-W97 VanDerWaalsContact O-N 3.09Å
94S66.7Low66.9Low58 Ų5891.1 Ų91.141%0.40654%0.535SS..Hα-helixtrans-56.7-51.1174.7-61.10000110.7V90 R96 W97 D98V90-S94 PolarHBondContact O-N 3.23Å; V90-S94 PolarHBondContact O-OG 3.46Å; S94-R96 PolarHBondContact O-N 3.02Å; S94-R96 VanDerWaalsContact O-N 3.13Å; S94-W97 PolarHBondContact O-N 3.06Å; S94-W97 VanDerWaalsContact O-N 3.13Å; S94-D98 PolarHBondContact O-N 3.32Å; S94-D98 VanDerWaalsContact O-OD2 3.05Å
95L65Low65.2Low132 Ų13293.6 Ų93.669%0.69156%0.555SS**Hα-helixtrans-59.7-30.9179.7-171.266000113.1A91 F93 S99A91-L95 PolarHBondContact O-N 3.09Å; A91-L95 VanDerWaalsContact O-N 3.13Å; F93-L95 PolarHBondContact O-N 2.86Å; L95-S99 VanDerWaalsContact O-CB 3.3Å; L95-S99 WeakPolarHBondContact O-CB 3.49Å; L95-S99 PolarHBondContact O-N 3.29Å
96R62.8Low63.6Low87 Ų8792.6 Ų92.633%0.32856%0.56SS.*Hα-helixtrans-77-34.3178-84.9179.263.190.1-6.2114.2F73 F77 V92 F93 S94F73-R96 VanDerWaalsContact CD1-CD 3.44Å; F73-R96 HydrophobicContact CE2-CG 4.27Å; F73-R96 VanDerWaalsContact CZ-CD 3.43Å; F73-R96 HydrophobicContact CZ-CG 4.26Å; F77-R96 VanDerWaalsContact CE2-CZ 3.44Å; F77-R96 VanDerWaalsContact CE2-NE 3.31Å; V92-R96 PolarHBondContact O-N 3.49Å; F93-R96 PolarHBondContact O-N 3.02Å; S94-R96 PolarHBondContact O-N 3.02Å; S94-R96 VanDerWaalsContact O-N 3.13Å
97W59Low61.9Low231 Ų23196.2 Ų96.288%0.87557%0.567SS**Hα-helixtrans-74.6-38.8176-173.1-101.5000111F93 S94 S99F93-W97 PolarHBondContact O-N 2.8Å; F93-W97 VanDerWaalsContact O-N 3.09Å; S94-W97 PolarHBondContact O-N 3.06Å; S94-W97 VanDerWaalsContact O-N 3.13Å; W97-S99 VanDerWaalsContact C-N 3.25Å; W97-S99 PolarHBondContact O-N 3.44Å
98D57.2Low60Low117 Ų11797.8 Ų97.863%0.62657%0.571SS**SBendtrans-77-12.3176.2-63.6-46.6000113S94 P100S94-D98 PolarHBondContact O-N 3.32Å; S94-D98 VanDerWaalsContact O-OD2 3.05Å; D98-P100 WeakPolarHBondContact O-CD 3.47Å; D98-P100 VanDerWaalsContact O-N 3.15Å
99S57.7Low58.3Low63 Ų63101.8 Ų101.844%0.44158%0.575SS.*SBendtrans-69.9107.4170.9-178.10000107.5L95 W97 P101L95-S99 VanDerWaalsContact O-CB 3.3Å; L95-S99 WeakPolarHBondContact O-CB 3.49Å; L95-S99 PolarHBondContact O-N 3.29Å; W97-S99 VanDerWaalsContact C-N 3.25Å; W97-S99 PolarHBondContact O-N 3.44Å; S99-P101 WeakPolarHBondContact O-CD 3.46Å
100P48.4Very low56.6Low95 Ų95103.5 Ų103.562%0.61759%0.591SS**  trans-61.4130.9173.7-11.728.5000105.8D98 A102D98-P100 WeakPolarHBondContact O-CD 3.47Å; D98-P100 VanDerWaalsContact O-N 3.15Å; P100-A102 HydrophobicContact CB-CB 3.95Å; P100-A102 PolarHBondContact O-N 3.09Å
101P52.7Low55Low132 Ų132106.1 Ų106.186%0.85760%0.603SS**  trans-70.357.1165.821.2-16.8000109.1S99 L103S99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-L103 VanDerWaalsContact C-N 3.31Å; P101-L103 PolarHBondContact O-N 3.35Å
102A49.8Very low53.3Low55 Ų55108 Ų10846%0.45561%0.612SS.*THydrogen-bonded Turntrans-100.550.4178.200000109.3P100 G104P100-A102 HydrophobicContact CB-CB 3.95Å; P100-A102 PolarHBondContact O-N 3.09Å; A102-G104 VanDerWaalsContact C-N 3.3Å
103L52.8Low51.8Low139 Ų139109.7 Ų109.773%0.72862%0.623SS**THydrogen-bonded Turntrans-96.58144-66.2179.8000111P101P101-L103 VanDerWaalsContact C-N 3.31Å; P101-L103 PolarHBondContact O-N 3.35Å
104G48.6Very low50.2Low62 Ų62112.9 Ų112.964%0.63966%0.655SS**SBendtrans-95.6-8.6170.600000114.7A102 T106A102-G104 VanDerWaalsContact C-N 3.3Å; G104-T106 VanDerWaalsContact C-N 3.27Å; G104-T106 PolarHBondContact O-N 3.2Å
105C44Very low49Very low95 Ų95120.1 Ų120.164%0.64267%0.674SS**  trans-80.492.2163.169.70000106.8L107C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.04Å
106T46.7Very low47.7Very low108 Ų108124.9 Ų124.966%0.66368%0.683SS**  trans-18.8107131.3-37.30000107.2G104 E108G104-T106 VanDerWaalsContact C-N 3.27Å; G104-T106 PolarHBondContact O-N 3.2Å; T106-E108 HydrophobicContact CG2-CG 4.08Å; T106-E108 PolarHBondContact O-N 3.38Å
107L47.9Very low46.5Very low160 Ų160124.9 Ų124.984%0.83870%0.701SS**  trans-54.688.4142.1-104.7163.9000101.8C105 Q109C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.04Å; L107-Q109 PolarHBondContact O-N 3.48Å
108E42.7Very low45.5Very low166 Ų166124.7 Ų124.778%0.77670%0.7SS**  trans-5595.9154.6-83.5-155.8122.200101.6T106 P110T106-E108 HydrophobicContact CG2-CG 4.08Å; T106-E108 PolarHBondContact O-N 3.38Å; E108-P110 VanDerWaalsContact O-CD 3.28Å; E108-P110 WeakPolarHBondContact O-CD 3.33Å
109Q46.4Very low44.2Very low138 Ų138125.7 Ų125.765%0.64572%0.715SS**  trans-38.1117.4159.3175.7177.2-25.900103.8L107 D111L107-Q109 PolarHBondContact O-N 3.48Å; Q109-D111 PolarHBondContact NE2-OD1 3.48Å; Q109-D111 PolarHBondContact O-N 3.32Å
110P41.2Very low43Very low111 Ų111125.6 Ų125.672%0.72172%0.724SS**  trans-63.489.9167.624.2-28.8000104E108 S112E108-P110 VanDerWaalsContact O-CD 3.28Å; E108-P110 WeakPolarHBondContact O-CD 3.33Å; P110-S112 PolarHBondContact O-N 3.18Å
111D44.8Very low42.6Very low107 Ų107130 Ų13057%0.57274%0.736SS**  trans-72.691.8-174.3-135.46.4000103.9Q109 T113Q109-D111 PolarHBondContact NE2-OD1 3.48Å; Q109-D111 PolarHBondContact O-N 3.32Å; D111-T113 PolarHBondContact O-N 3.09Å
112S38.2Very low41.8Very low115 Ų115129 Ų12980%0.80473%0.73SS**  trans-73.756.8176.146.50000108.2P110P110-S112 PolarHBondContact O-N 3.18Å
113T43.7Very low41.5Very low97 Ų97132.2 Ų132.260%0.59575%0.746SS**  trans-101.278.7156.343.30000107.7D111 R115D111-T113 PolarHBondContact O-N 3.09Å; T113-R115 PolarHBondContact O-N 2.79Å
114A38.6Very low41Very low102 Ų102131.1 Ų131.184%0.84375%0.75SS**  trans-59.567.515000000109.1R116A114-R116 PolarHBondContact O-N 3.05Å
115R40.1Very low40.7Very low210 Ų210133.2 Ų133.279%0.79276%0.755SS**  trans-79.781.1162.1-73.8-167.788.3-147.310107.2T113 A117T113-R115 PolarHBondContact O-N 2.79Å; R115-A117 PolarHBondContact O-N 3.02Å
116R38.2Very low40.6Very low233 Ų233139.8 Ų139.888%0.87977%0.766SS**  trans-10.7119.1144.2-161.9176.1-172-159.71.6112.9A114A114-R116 PolarHBondContact O-N 3.05Å
117A37.1Very low40.1Very low87 Ų87139 Ų13972%0.71977%0.771SS**  trans54103.5147.800000118.4R115R115-A117 PolarHBondContact O-N 3.02Å
118R39Very low39.8Very low226 Ų226139.8 Ų139.885%0.85378%0.775SS**  -142.3128.4122-75.3-160.3-66.7-84.31.7110
119C30.7Very low39.3Very low138 Ų138140 Ų14093%0.93278%0.776SS**  trans-63.3137.6179.4-125.10000111.3
120G32.2Very low39Very low62 Ų62138 Ų13864%0.63978%0.775SS**  trans80.979142.900000119.5
121Q39.3Very low38.7Very low187 Ų187139.8 Ų139.887%0.87478%0.777SS**  trans-144.7120.2140.2-80-67-95.200109
122P36.8Very low38.2Very low112 Ų112144.6 Ų144.673%0.72779%0.788SS**  trans-80.1156.3178.831.6-32.2000112.3S124P122-S124 PolarHBondContact O-N 2.76Å
123P42.1Very low38.2Very low122 Ų122151 Ų15179%0.79279%0.794SS**  trans-81.4121.3-165.929.8-32.7000112.9S125P123-S125 PolarHBondContact O-N 3.28Å; P123-S125 VanDerWaalsContact O-N 3.09Å
124S42.8Very low37.9Very low115 Ų115151.5 Ų151.580%0.80480%0.799SS**  trans-7890.5167.21760000110.1P122 R126P122-S124 PolarHBondContact O-N 2.76Å; S124-R126 PolarHBondContact O-N 3.08Å
125S42.1Very low38.1Very low107 Ų107153.8 Ų153.875%0.74880%0.797SS**  trans-51.7118158.9-65.90000111.3P123P123-S125 PolarHBondContact O-N 3.28Å; P123-S125 VanDerWaalsContact O-N 3.09Å
126R41Very low38Very low232 Ų232153.8 Ų153.888%0.87581%0.806SS**  trans-14395.5144.8-104.3-177.7-175.71351109.4S124S124-R126 PolarHBondContact O-N 3.08Å
127A38Very low37.8Very low93 Ų93145.5 Ų145.577%0.76979%0.793SS**  trans-58.7126.916000000109.8
128L40.6Very low37.9Very low175 Ų175146.6 Ų146.692%0.91680%0.796SS**  trans-121.5108.9154.1-75.2171.1000106.9
129H31.5Very low37.8Very low171 Ų171144.3 Ų144.379%0.79280%0.799SS**  trans-85151.6-174-173.1-82.8000110.7
130P41.3Very low38.1Very low97 Ų97147.3 Ų147.363%0.6379%0.791SS**  trans-75.8146.4-174.4-11.128.6000112
131L35Very low38.1Very low147 Ų147155.7 Ų155.777%0.7780%0.804SS**  trans179.4133.6141-98.2166.2000113
132R34.3Very low38Very low208 Ų208154.1 Ų154.179%0.78580%0.796SS**  trans77.4107.4154.2-65.5-114.815793.5-2.4119.5
133R37.3Very low37.7Very low249 Ų249154.3 Ų154.394%0.9480%0.795SS**  trans-118.9115.2134.3-71.2-127.9177.1144.7-0.1108.5
134P38.2Very low37.4Very low108 Ų108153.8 Ų153.870%0.70179%0.789SS**  trans-72.3133.5174.5-12.728.2000111.6
135D41.8Very low36.8Very low150 Ų150158.2 Ų158.280%0.80279%0.788SS**  trans27.7104.8140.9-15656.7000118.4G137D135-G137 PolarHBondContact O-N 3.19Å; D135-G137 VanDerWaalsContact O-N 3.09Å
136Q39.7Very low36.2Very low210 Ų210159 Ų15998%0.98179%0.789SS**  trans-7685.4167.7-84.1-179.4-47.600109.8
137G33.6Very low35.9Very low59 Ų59153.6 Ų153.661%0.60879%0.787SS**  trans-145.660.7179.600000113.1D135D135-G137 PolarHBondContact O-N 3.19Å; D135-G137 VanDerWaalsContact O-N 3.09Å
138S38.7Very low36Very low111 Ų111153.9 Ų153.978%0.77679%0.789SS**  trans-156.9106.5155.9-158.70000112.5R140S138-R140 PolarHBondContact O-N 3.42Å
139L37.3Very low35.3Very low177 Ų177148.9 Ų148.993%0.92778%0.78SS**  trans-54.8111.4157.2-68.4166.9000109.2
140R36.1Very low35.7Very low202 Ų202146.4 Ų146.476%0.76278%0.779SS**  trans-143.4101.1154.5-146.1-178.8173-141-2.1111.1S138 Q142S138-R140 PolarHBondContact O-N 3.42Å; R140-Q142 PolarHBondContact O-N 3.48Å; R140-Q142 VanDerWaalsContact O-N 3.16Å
141R32.5Very low35.2Very low238 Ų238146.8 Ų146.890%0.89878%0.78SS**  trans-41.2115.6149.5-83.7176.2172.8176.8-2.3108.5
142Q37.1Very low35.1Very low153 Ų153147.1 Ų147.172%0.71578%0.777SS**  trans-136.393.1147.4-145.3164.5-30.400108.4R140R140-Q142 PolarHBondContact O-N 3.48Å; R140-Q142 VanDerWaalsContact O-N 3.16Å
143V30.2Very low35.1Very low116 Ų116145.5 Ų145.570%0.70378%0.778SS**  trans-62.4158.2156.1167.20000108.4
144V35.8Very low34.8Very low111 Ų111140.6 Ų140.667%0.67378%0.776SS**  trans9888.8176.4-173.40000111.6
145R31.3Very low34.7Very low208 Ų208139.6 Ų139.679%0.78578%0.777SS**  95.3113.175.9-86.7-173.8-176.7113.80.5112.3
146T29.6Very low34.6Very low123 Ų123138.8 Ų138.876%0.75578%0.777SS**  trans55.2134.5134.159.60000122.3
147S33.6Very low34.4Very low119 Ų119137 Ų13783%0.83277%0.774SS**  trans97.1103.1145.479.40000117.1
148A40.1Very low34.4Very low99 Ų99137.5 Ų137.582%0.81878%0.78SS**  167.8118.8126.900000108.8
149G26.6Very low34.3Very low71 Ų71137.7 Ų137.773%0.73278%0.78SS**  trans-66.1-17715700000110.8
150P39.9Very low34.4Very low119 Ų119135 Ų13577%0.77377%0.773SS**  cis-127.1157.932.728.6-6.6000113
151T30.2Very low34.4Very low104 Ų104131 Ų13164%0.63878%0.775SS**  71.7125.864.2-27.20000116.6
152H33Very low34.8Very low155 Ų155124.8 Ų124.872%0.71877%0.769SS**  trans81.2141.5164.9-47.2-82000115.3
153H35.2Very low34.8Very low173 Ų173121.8 Ų121.880%0.80177%0.77SS**  cis-164.9140.420.711.2-92.2000109.7
154T31Very low35.2Very low147 Ų147121.9 Ų121.990%0.90278%0.776SS**  trans-73.5132.5166.8-48.50000110.6
155A36.3Very low35.3Very low86 Ų86121.9 Ų121.971%0.71179%0.787SS**  trans175.2136.5162.200000108
156V38Very low35.6Very low134 Ų134120.3 Ų120.381%0.81279%0.793SS**  cis-161.7133.5-1.1-940000104.1G158V156-G158 PolarHBondContact O-N 3.09Å
157D35.6Very low36.5Very low172 Ų172123.6 Ų123.692%0.9282%0.821SS**  trans-67.198.3167.5-72.8-58.3000108.9C159D157-C159 PolarHBondContact O-N 3.16Å; D157-C159 VanDerWaalsContact O-N 3.12Å
158G33.6Very low36.6Very low70 Ų70123.8 Ų123.872%0.72282%0.821SS**  trans-72.797.8172.100000110V156 P160V156-G158 PolarHBondContact O-N 3.09Å; G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.47Å
159C36.7Very low36.4Very low115 Ų115125.1 Ų125.178%0.77782%0.821SS**  trans-70.2115.7167.6-160.40000108.6D157 S161D157-C159 PolarHBondContact O-N 3.16Å; D157-C159 VanDerWaalsContact O-N 3.12Å; C159-S161 PolarHBondContact O-N 3.32Å; C159-S161 VanDerWaalsContact O-N 3.09Å
160P39.5Very low37Very low120 Ų120128.1 Ų128.178%0.77983%0.826SS**  trans-73.5107.8179.727.4-30.3000110G158G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.47Å
161S36.5Very low36.8Very low117 Ų117128.6 Ų128.682%0.81883%0.829SS**  trans-79.6118157.1-67.90000109.1C159C159-S161 PolarHBondContact O-N 3.32Å; C159-S161 VanDerWaalsContact O-N 3.09Å
162S42.3Very low37.2Very low109 Ų109130.2 Ų130.276%0.76284%0.841SS**  trans-176104.8147.727.50000107
163A36.5Very low37.5Very low90 Ų90128.5 Ų128.574%0.74485%0.849SS**  101.613669.100000110.1
164S38.6Very low37.7Very low118 Ų118125.4 Ų125.483%0.82585%0.853SS**  trans91.389.6160.7-40.40000117
165A38.5Very low38.2Very low110 Ų110123.7 Ų123.791%0.90985%0.849SS**  trans-132.279.2134.300000107.6
166L35.8Very low38.4Very low175 Ų175126.8 Ų126.892%0.91686%0.861SS**  trans-92.8110.9157.7-91162.3000106.4
167S48.8Very low38.4Very low192 Ų192126.2 Ų126.2100%1.34387%0.865SS**  -178.40127.8-168.50000109.6

Retrieved 167 of 167 residues in 114.2 ms (Link to these results)