A0A077YW41_TRITR Loading...

Actin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YW41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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
1M73.3Confident80.9Confident120 Ų120128.4 Ų128.459%0.59164%0.635SS**  0-69.30-72.6-62.9-109.100111.4Y5 L10M1-Y5 WeakPolarHBondContact O-CA 3.15Å; M1-Y5 VanDerWaalsContact O-CB 3.27Å; M1-Y5 WeakPolarHBondContact O-CB 3.33Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.13Å; M1-Y5 HydrophobicContact SD-CD2 3.86Å; M1-Y5 HydrophobicContact SD-CE2 4.09Å; M1-Y5 HydrophobicContact SD-CG 4.44Å; M1-L10 HydrophobicContact CB-CD2 3.77Å; M1-L10 HydrophobicContact CE-CD1 4.49Å; M1-L10 HydrophobicContact CG-CD2 4.36Å
2L74.3Confident81Confident96 Ų96129 Ų12950%0.50364%0.64SS.*Hα-helixtrans-65-46.6178.6-68.2172.5000112.1C6 V7 L10L2-C6 WeakPolarHBondContact O-CA 3.46Å; L2-C6 PolarHBondContact O-N 2.96Å; L2-V7 WeakPolarHBondContact CD2-O 2.84Å; L2-L10 HydrophobicContact CD2-CB 3.79Å; L2-L10 HydrophobicContact CG-CB 4.22Å
3E76.9Confident80.6Confident183 Ų183123.8 Ų123.886%0.85562%0.615SS**Hα-helixtrans-76.7-54.5-177.8-64.6173.8176.100112.8
4E85.9Confident80.3Confident160 Ų160118.5 Ų118.575%0.74859%0.59SS**Hα-helixtrans-70.8-33.4-176.5-68176.415600114.5
5Y86.4Confident79.9Confident159 Ų159117.1 Ų117.162%0.62459%0.59SS**Hα-helixtrans-107.54.9-174.3-63.2-94.8000112.8M1 V7M1-Y5 WeakPolarHBondContact O-CA 3.15Å; M1-Y5 VanDerWaalsContact O-CB 3.27Å; M1-Y5 WeakPolarHBondContact O-CB 3.33Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.13Å; M1-Y5 HydrophobicContact SD-CD2 3.86Å; M1-Y5 HydrophobicContact SD-CE2 4.09Å; M1-Y5 HydrophobicContact SD-CG 4.44Å; Y5-V7 PolarHBondContact O-N 2.99Å
6C82.3Confident79.3Confident110 Ų110110.2 Ų110.274%0.74356%0.557SS**  trans47.137.3178-61.40000114.1L2L2-C6 WeakPolarHBondContact O-CA 3.46Å; L2-C6 PolarHBondContact O-N 2.96Å
7V84.4Confident78.8Confident56 Ų56108.1 Ų108.134%0.33955%0.551SS.*  trans-78.6129.9-178.3-171.40000109L2 Y5 Y9L2-V7 WeakPolarHBondContact CD2-O 2.84Å; Y5-V7 PolarHBondContact O-N 2.99Å; V7-Y9 VanDerWaalsContact C-N 3.35Å; V7-Y9 WeakPolarHBondContact CG1-O 2.88Å; V7-Y9 PolarHBondContact O-N 3.41Å
8P78.8Confident78.5Confident106 Ų106106.6 Ų106.669%0.68854%0.544SS*.SBendtrans-66.6-34.1-173.324.5-34.3000113.2
9Y83.5Confident78.1Confident210 Ų210102.7 Ų102.782%0.82453%0.527SS*.  trans-145.5141175.8-56.4-78.4000110.5V7V7-Y9 VanDerWaalsContact C-N 3.35Å; V7-Y9 WeakPolarHBondContact CG1-O 2.88Å; V7-Y9 PolarHBondContact O-N 3.41Å
10L82.9Confident77.5Confident83 Ų83101.1 Ų101.144%0.43551%0.514SS..  trans-129125176.2178.369.5000109.5M1 L2M1-L10 HydrophobicContact CB-CD2 3.77Å; M1-L10 HydrophobicContact CE-CD1 4.49Å; M1-L10 HydrophobicContact CG-CD2 4.36Å; L2-L10 HydrophobicContact CD2-CB 3.79Å; L2-L10 HydrophobicContact CG-CB 4.22Å
11M80.8Confident77.2Confident129 Ų129102 Ų10264%0.63552%0.517SS*.  trans-115.6123.8173.4-174.3179.24900110.1I13M11-I13 HydrophobicContact CE-CD1 3.31Å; M11-I13 HydrophobicContact CE-CG1 3.96Å; M11-I13 HydrophobicContact CG-CD1 4.34Å; M11-I13 HydrophobicContact CG-CG1 3.9Å; M11-I13 HydrophobicContact SD-CD1 3.87Å; M11-I13 HydrophobicContact SD-CG1 3.96Å
12I82.2Confident76.9Confident136 Ų136103.5 Ų103.570%0.69753%0.526SS*.  trans-99116.4174.7-58.7175.7000108.1
13I75.8Confident76.2Confident62 Ų62107.4 Ų107.432%0.31853%0.534SS..  trans-113.6139176.7-53.8169.2000109.8M11 T15 V17 L18M11-I13 HydrophobicContact CE-CD1 3.31Å; M11-I13 HydrophobicContact CE-CG1 3.96Å; M11-I13 HydrophobicContact CG-CD1 4.34Å; M11-I13 HydrophobicContact CG-CG1 3.9Å; M11-I13 HydrophobicContact SD-CD1 3.87Å; M11-I13 HydrophobicContact SD-CG1 3.96Å; I13-T15 PolarHBondContact O-N 3.4Å; I13-V17 HydrophobicContact CG2-CB 3.95Å; I13-V17 HydrophobicContact CG2-CG1 4.13Å; I13-L18 HydrophobicContact CB-CD1 4.08Å; I13-L18 HydrophobicContact CB-CD2 4.25Å; I13-L18 HydrophobicContact CB-CG 3.93Å; I13-L18 HydrophobicContact CD1-CD2 3.76Å; I13-L18 HydrophobicContact CD1-CG 4.39Å; I13-L18 HydrophobicContact CG2-CD1 4.33Å; I13-L18 HydrophobicContact CG2-CD2 4.12Å; I13-L18 HydrophobicContact CG2-CG 3.69Å
14N76.1Confident75.1Confident49 Ų49107.2 Ų107.226%0.26253%0.531SS..  trans-61.8124.9169.9-174-13.9000110A16 V17 L18 Y40N14-A16 PolarHBondContact O-N 3.22Å; N14-A16 PolarHBondContact OD1-N 2.68Å; N14-A16 VanDerWaalsContact OD1-N 3.11Å; N14-V17 HydrophobicContact CB-CG2 4.15Å; N14-V17 WeakPolarHBondContact O-CB 3.5Å; N14-V17 PolarHBondContact O-N 3.4Å; N14-L18 PolarHBondContact O-N 3.37Å; N14-Y40 PolarHBondContact ND2-OH 3.42Å; N14-Y40 VanDerWaalsContact ND2-OH 3.09Å; N14-Y40 PolarHBondContact OD1-OH 2.99Å
15T74.7Confident73.4Confident97 Ų97104.4 Ų104.460%0.59553%0.528SS*.Hα-helixtrans-47.8-28.8175.955.50000114.3I13 S19I13-T15 PolarHBondContact O-N 3.4Å; T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.5Å; T15-S19 PolarHBondContact O-OG 3.17Å
16A70.3Confident71.5Confident7 Ų7100.1 Ų100.16%0.05852%0.52CS..Hα-helixtrans-68.6-40.5174.800000113.5N14 S19 W20 L29 Y40N14-A16 PolarHBondContact O-N 3.22Å; N14-A16 PolarHBondContact OD1-N 2.68Å; N14-A16 VanDerWaalsContact OD1-N 3.11Å; A16-S19 WeakPolarHBondContact CA-OG 3.41Å; A16-S19 PolarHBondContact O-N 3.11Å; A16-S19 PolarHBondContact O-OG 2.89Å; A16-S19 VanDerWaalsContact O-OG 3.14Å; A16-W20 WeakPolarHBondContact O-CB 3.44Å; A16-W20 PolarHBondContact O-N 3.29Å; A16-L29 VanDerWaalsContact CA-CD2 3.48Å; A16-L29 HydrophobicContact CB-CD2 3.71Å; A16-Y40 HydrophobicContact CB-CD1 3.83Å; A16-Y40 HydrophobicContact CB-CD2 3.47Å; A16-Y40 VanDerWaalsContact CB-CD2 3.47Å; A16-Y40 HydrophobicContact CB-CE1 3.68Å; A16-Y40 HydrophobicContact CB-CE2 3.32Å; A16-Y40 HydrophobicContact CB-CG 3.73Å; A16-Y40 VanDerWaalsContact CB-CZ 3.43Å
17V71.3Confident70.2Confident74 Ų7499.8 Ų99.845%0.44851%0.511SS..Hα-helixtrans-68.1-42.7177178.30000109.8I13 N14 S19 W20 Q21I13-V17 HydrophobicContact CG2-CB 3.95Å; I13-V17 HydrophobicContact CG2-CG1 4.13Å; N14-V17 HydrophobicContact CB-CG2 4.15Å; N14-V17 WeakPolarHBondContact O-CB 3.5Å; N14-V17 PolarHBondContact O-N 3.4Å; V17-S19 PolarHBondContact O-N 3.03Å; V17-W20 PolarHBondContact O-N 2.89Å; V17-Q21 PolarHBondContact O-N 3.34Å
18L73.7Confident68.8Low81 Ų81101.7 Ų101.742%0.42452%0.519SS..Hα-helixtrans-59.1-47.5174.7-74.7171.5000112.3I13 N14 Q21 L22I13-L18 HydrophobicContact CB-CD1 4.08Å; I13-L18 HydrophobicContact CB-CD2 4.25Å; I13-L18 HydrophobicContact CB-CG 3.93Å; I13-L18 HydrophobicContact CD1-CD2 3.76Å; I13-L18 HydrophobicContact CD1-CG 4.39Å; I13-L18 HydrophobicContact CG2-CD1 4.33Å; I13-L18 HydrophobicContact CG2-CD2 4.12Å; I13-L18 HydrophobicContact CG2-CG 3.69Å; N14-L18 PolarHBondContact O-N 3.37Å; L18-Q21 PolarHBondContact O-N 3.34Å; L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.07Å; L18-L22 VanDerWaalsContact O-N 3.11Å
19S70.1Confident67.6Low33 Ų3397.5 Ų97.523%0.23149%0.491CS..Hα-helixtrans-72.2-27.9-179.649.50000113.6T15 A16 V17 R23 L29T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.5Å; T15-S19 PolarHBondContact O-OG 3.17Å; A16-S19 WeakPolarHBondContact CA-OG 3.41Å; A16-S19 PolarHBondContact O-N 3.11Å; A16-S19 PolarHBondContact O-OG 2.89Å; A16-S19 VanDerWaalsContact O-OG 3.14Å; V17-S19 PolarHBondContact O-N 3.03Å; S19-R23 WeakPolarHBondContact O-CB 3.03Å; S19-R23 PolarHBondContact O-N 3.42Å; S19-L29 WeakPolarHBondContact OG-CD2 3.48Å
20W66.5Low66.3Low70 Ų7095 Ų9527%0.26548%0.48SS..Hα-helixtrans-64.5-45.9169.4179.482.3000111.5A16 V17 L22 R23 K24 C26A16-W20 WeakPolarHBondContact O-CB 3.44Å; A16-W20 PolarHBondContact O-N 3.29Å; V17-W20 PolarHBondContact O-N 2.89Å; W20-L22 VanDerWaalsContact C-N 3.35Å; W20-L22 PolarHBondContact O-N 3.3Å; W20-R23 PolarHBondContact O-N 3.01Å; W20-K24 PolarHBondContact O-N 3.24Å; W20-C26 VanDerWaalsContact CD1-O 3.22Å; W20-C26 PolarHBondContact NE1-O 3.11Å
21Q70.5Confident65.1Low122 Ų12293.2 Ų93.257%0.5748%0.475SS*.Hα-helixtrans-63.3-40.6-179.9-170.966.41.100112.2V17 L18 R23V17-Q21 PolarHBondContact O-N 3.34Å; L18-Q21 PolarHBondContact O-N 3.34Å; Q21-R23 VanDerWaalsContact C-N 3.28Å; Q21-R23 PolarHBondContact O-N 3.49Å
22L66.8Low64.4Low150 Ų15091.5 Ų91.579%0.78548%0.475SS*.Hα-helixtrans-66.1-29177.2-71.8171.3000113.2L18 W20L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.07Å; L18-L22 VanDerWaalsContact O-N 3.11Å; W20-L22 VanDerWaalsContact C-N 3.35Å; W20-L22 PolarHBondContact O-N 3.3Å
23R59.6Low63.7Low178 Ų17886.5 Ų86.567%0.67246%0.457SS*.THydrogen-bonded Turntrans-994.3-175.9-75.7-171.3166.3-166.3-4.4114.7S19 W20 Q21S19-R23 WeakPolarHBondContact O-CB 3.03Å; S19-R23 PolarHBondContact O-N 3.42Å; W20-R23 PolarHBondContact O-N 3.01Å; Q21-R23 VanDerWaalsContact C-N 3.28Å; Q21-R23 PolarHBondContact O-N 3.49Å
24K54.7Low62.8Low180 Ų18090.3 Ų90.378%0.78347%0.467SS*.SBendtrans35.990.7178.4-69.1-163.3177.5-174.20113.6W20W20-K24 PolarHBondContact O-N 3.24Å
25C49.3Very low61.5Low101 Ų10194.3 Ų94.368%0.68249%0.485SS*.SBendtrans93.312160.3-47.60000119.7N27C25-N27 PolarHBondContact O-N 2.86Å
26C46.9Very low60.1Low68 Ų6894.1 Ų94.146%0.45947%0.473SS..  trans-76121.2171.2-61.60000111.7W20 N28W20-C26 VanDerWaalsContact CD1-O 3.22Å; W20-C26 PolarHBondContact NE1-O 3.11Å; C26-N28 PolarHBondContact O-N 2.92Å
27N54.5Low58.8Low103 Ų10395 Ų9555%0.55148%0.475SS*.SBendtrans-65.3-22.3179.2-75.2-29.7000114C25C25-N27 PolarHBondContact O-N 2.86Å
28N56.7Low57.8Low96 Ų9693.5 Ų93.551%0.51346%0.462SS..EExtended strand (participates in β ladder)trans-125.9120.9-179.9-65.3-26.8000109.8C26 Y40 V41C26-N28 PolarHBondContact O-N 2.92Å; N28-Y40 CarbonylContact C-O 3.46Å; N28-Y40 WeakPolarHBondContact CA-O 3.49Å; N28-V41 WeakPolarHBondContact OD1-CG1 3.15Å; N28-V41 WeakPolarHBondContact OD1-CG2 3.45Å
29L53.2Low56.6Low19 Ų1993 Ų9310%0.09946%0.459CS..EExtended strand (participates in β ladder)trans-104.2118175-179.686.7000109.6A16 S19 L39 Y40A16-L29 VanDerWaalsContact CA-CD2 3.48Å; A16-L29 HydrophobicContact CB-CD2 3.71Å; S19-L29 WeakPolarHBondContact OG-CD2 3.48Å; L29-L39 WeakPolarHBondContact O-CA 3.43Å; L29-Y40 HydrophobicContact CD2-CD2 4.37Å; L29-Y40 PolarHBondContact N-O 3.13Å; L29-Y40 PolarHBondContact O-N 3.14Å
30R55.7Low55.5Low156 Ų15693.5 Ų93.559%0.58946%0.456SS*.EExtended strand (participates in β ladder)trans-104.4113.6170.2-167.9177-173.4-178.80.6109.1F38 L39R30-F38 WeakPolarHBondContact CA-O 3.48Å; R30-L39 HydrophobicContact CB-CD1 4.09Å; R30-L39 HydrophobicContact CG-CD1 4.45Å
31S58.4Low54.5Low47 Ų4792.5 Ų92.533%0.32946%0.458SS..EExtended strand (participates in β ladder)trans-110.2124.5173.6174.20000109.5R37 F38S31-R37 CarbonylContact O-C 3.58Å; S31-R37 WeakPolarHBondContact O-CA 3.42Å; S31-F38 PolarHBondContact N-O 3.27Å; S31-F38 PolarHBondContact O-N 3.03Å
32S64.6Low53.3Low93 Ų9393.2 Ų93.265%0.6546%0.456SS*.EExtended strand (participates in β ladder)trans-112.487.917556.30000111.3
33G67.6Low52.2Low30 Ų3095.3 Ų95.331%0.30946%0.459SS..  trans-84.2179.2179.300000113.9R36 A52 G53G33-R36 WeakPolarHBondContact CA-O 3.43Å; G33-R36 PolarHBondContact N-O 2.84Å; G33-A52 WeakPolarHBondContact O-CB 3.41Å; G33-G53 PolarHBondContact O-N 3.36Å
34R58.3Low51.3Low143 Ų14392.7 Ų92.754%0.5446%0.456SS..SBendtrans-59.7-48.4177.1-175.8172.3-1761600.1112.3G53 N54R34-G53 CarbonylContact O-C 3.49Å; R34-G53 WeakPolarHBondContact O-CA 3.26Å; R34-G53 PolarHBondContact O-N 3.47Å; R34-N54 WeakPolarHBondContact CG-OD1 3.48Å; R34-N54 PolarHBondContact O-N 2.92Å; R34-N54 PolarHBondContact O-OD1 3.38Å
35Q48.5Very low51.4Low133 Ų13387.7 Ų87.762%0.62144%0.442SS*.SBendtrans-96.5-34.6-176-64.5-170.3-13.900113.8
36R44Very low52Low93 Ų9384.1 Ų84.135%0.35142%0.417SS..  trans-138.2142.4-170.6-67.3-178.6178.6-179.2-2.8110.7G33 F38G33-R36 WeakPolarHBondContact CA-O 3.43Å; G33-R36 PolarHBondContact N-O 2.84Å; R36-F38 HydrophobicContact CB-CD2 4.38Å; R36-F38 HydrophobicContact CB-CE1 4.16Å; R36-F38 HydrophobicContact CB-CE2 3.61Å; R36-F38 HydrophobicContact CB-CZ 3.47Å; R36-F38 VanDerWaalsContact CB-CZ 3.47Å; R36-F38 HydrophobicContact CG-CZ 4.22Å
37R44.7Very low52.7Low26 Ų2689.6 Ų89.610%0.09843%0.428CS..EExtended strand (participates in β ladder)trans-99.3139.1160.9-61.4-170.1-78.9173.4-1.6108.9S31 T49 A51 A52 L162S31-R37 CarbonylContact O-C 3.58Å; S31-R37 WeakPolarHBondContact O-CA 3.42Å; R37-T49 PolarHBondContact N-O 2.98Å; R37-T49 PolarHBondContact O-N 3.29Å; R37-T49 VanDerWaalsContact O-N 3.13Å; R37-A51 WeakPolarHBondContact CG-O 3.27Å; R37-A51 PolarHBondContact NE-O 2.79Å; R37-A51 PolarHBondContact NH2-O 3.11Å; R37-A52 HydrophobicContact CG-CB 3.87Å; R37-L162 PolarHBondContact NH1-O 3.01Å; R37-L162 PolarHBondContact NH2-O 2.89Å
38F49.7Very low53.1Low42 Ų4288.9 Ų88.918%0.18442%0.417CS..EExtended strand (participates in β ladder)trans-124.4136.5178.6-55.1-86.8000109.2R30 S31 R36 Y40 V46 R48R30-F38 WeakPolarHBondContact CA-O 3.48Å; S31-F38 PolarHBondContact N-O 3.27Å; S31-F38 PolarHBondContact O-N 3.03Å; R36-F38 HydrophobicContact CB-CD2 4.38Å; R36-F38 HydrophobicContact CB-CE1 4.16Å; R36-F38 HydrophobicContact CB-CE2 3.61Å; R36-F38 HydrophobicContact CB-CZ 3.47Å; R36-F38 VanDerWaalsContact CB-CZ 3.47Å; R36-F38 HydrophobicContact CG-CZ 4.22Å; F38-Y40 HydrophobicContact CB-CD2 4.12Å; F38-Y40 HydrophobicContact CB-CE2 3.88Å; F38-Y40 HydrophobicContact CD1-CE2 4.45Å; F38-Y40 HydrophobicContact CG-CE2 4.36Å; F38-V46 HydrophobicContact CB-CG1 4.4Å; F38-V46 HydrophobicContact CD1-CG1 4.01Å; F38-R48 HydrophobicContact CD1-CG 3.65Å; F38-R48 HydrophobicContact CE1-CG 3.72Å
39L47.7Very low53.6Low69 Ų6986.4 Ų86.436%0.36141%0.406SS..EExtended strand (participates in β ladder)trans-117.3116.6163-17667.7000107.7L29 R30 V41 R47L29-L39 WeakPolarHBondContact O-CA 3.43Å; R30-L39 HydrophobicContact CB-CD1 4.09Å; R30-L39 HydrophobicContact CG-CD1 4.45Å; L39-V41 HydrophobicContact CD2-CG2 4.15Å; L39-V41 HydrophobicContact CG-CG2 4.01Å; L39-R47 PolarHBondContact N-O 2.88Å; L39-R47 PolarHBondContact O-N 3.35Å
40Y47.1Very low54.4Low44 Ų4487.4 Ų87.417%0.17342%0.417CS..EExtended strand (participates in β ladder)trans-101.2124.7169.5-76-100.7000107.9N14 A16 N28 L29 F38 V46N14-Y40 PolarHBondContact ND2-OH 3.42Å; N14-Y40 VanDerWaalsContact ND2-OH 3.09Å; N14-Y40 PolarHBondContact OD1-OH 2.99Å; A16-Y40 HydrophobicContact CB-CD1 3.83Å; A16-Y40 HydrophobicContact CB-CD2 3.47Å; A16-Y40 VanDerWaalsContact CB-CD2 3.47Å; A16-Y40 HydrophobicContact CB-CE1 3.68Å; A16-Y40 HydrophobicContact CB-CE2 3.32Å; A16-Y40 HydrophobicContact CB-CG 3.73Å; A16-Y40 VanDerWaalsContact CB-CZ 3.43Å; N28-Y40 CarbonylContact C-O 3.46Å; N28-Y40 WeakPolarHBondContact CA-O 3.49Å; L29-Y40 HydrophobicContact CD2-CD2 4.37Å; L29-Y40 PolarHBondContact N-O 3.13Å; L29-Y40 PolarHBondContact O-N 3.14Å; F38-Y40 HydrophobicContact CB-CD2 4.12Å; F38-Y40 HydrophobicContact CB-CE2 3.88Å; F38-Y40 HydrophobicContact CD1-CE2 4.45Å; F38-Y40 HydrophobicContact CG-CE2 4.36Å; Y40-V46 HydrophobicContact CD1-CG2 3.44Å; Y40-V46 VanDerWaalsContact CD1-CG2 3.44Å; Y40-V46 HydrophobicContact CD2-CG1 4.12Å; Y40-V46 HydrophobicContact CD2-CG2 4.47Å; Y40-V46 HydrophobicContact CE1-CB 4.27Å; Y40-V46 HydrophobicContact CE1-CG1 4.17Å; Y40-V46 HydrophobicContact CE1-CG2 3.11Å; Y40-V46 HydrophobicContact CE2-CG1 3.7Å; Y40-V46 HydrophobicContact CE2-CG2 4.21Å; Y40-V46 HydrophobicContact CG-CG2 4.12Å
41V47.1Very low55.2Low50 Ų5080.1 Ų80.130%0.30339%0.39SS..EExtended strand (participates in β ladder)trans-121.5132.3173.5173.40000105.5N28 L39 F43 M44N28-V41 WeakPolarHBondContact OD1-CG1 3.15Å; N28-V41 WeakPolarHBondContact OD1-CG2 3.45Å; L39-V41 HydrophobicContact CD2-CG2 4.15Å; L39-V41 HydrophobicContact CG-CG2 4.01Å; V41-F43 PolarHBondContact O-N 3.35Å; V41-M44 HydrophobicContact CB-CB 3.97Å; V41-M44 HydrophobicContact CG1-CB 4.11Å; V41-M44 PolarHBondContact O-N 2.91Å
42R44.2Very low56.2Low136 Ų13678 Ų7851%0.51338%0.375SS..THydrogen-bonded Turntrans-55.4-9.5-167.6-154.3170.9173.8178.4-5115.8
43F44.7Very low57Low194 Ų19474.2 Ų74.285%0.85135%0.351SS*.THydrogen-bonded Turntrans-136.98.7177.2-67.7-81.4000114.7V41V41-F43 PolarHBondContact O-N 3.35Å
44M40.8Very low57.8Low124 Ų12475.4 Ų75.461%0.61135%0.35SS*.EExtended strand (participates in β ladder)trans-126.8152.4-176.2-84.8-156.4158.200113.4V41V41-M44 HydrophobicContact CB-CB 3.97Å; V41-M44 HydrophobicContact CG1-CB 4.11Å; V41-M44 PolarHBondContact O-N 2.91Å
45P56.4Low59.1Low75 Ų7569.4 Ų69.449%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-59.4140.8179.725.2-35.6000111.4R47 A191P45-R47 PolarHBondContact O-N 3.35Å; P45-A191 HydrophobicContact CB-CB 3.68Å
46V61.8Low61.1Low26 Ų2664.2 Ų64.216%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-59.6110.3176.3-174.60000109.6F38 Y40 R48 I194F38-V46 HydrophobicContact CB-CG1 4.4Å; F38-V46 HydrophobicContact CD1-CG1 4.01Å; Y40-V46 HydrophobicContact CD1-CG2 3.44Å; Y40-V46 VanDerWaalsContact CD1-CG2 3.44Å; Y40-V46 HydrophobicContact CD2-CG1 4.12Å; Y40-V46 HydrophobicContact CD2-CG2 4.47Å; Y40-V46 HydrophobicContact CE1-CB 4.27Å; Y40-V46 HydrophobicContact CE1-CG1 4.17Å; Y40-V46 HydrophobicContact CE1-CG2 3.11Å; Y40-V46 HydrophobicContact CE2-CG1 3.7Å; Y40-V46 HydrophobicContact CE2-CG2 4.21Å; Y40-V46 HydrophobicContact CG-CG2 4.12Å; V46-R48 HydrophobicContact CG1-CG 4Å; V46-R48 PolarHBondContact O-N 3.46Å; V46-I194 HydrophobicContact CB-CD1 4.26Å; V46-I194 HydrophobicContact CG2-CD1 3.59Å
47R61Low63.3Low182 Ų18260.8 Ų60.869%0.68729%0.293SS*.EExtended strand (participates in β ladder)trans-79.6114.7171.6-67.9-168.1179.3-166.32.3108.7L39 P45L39-R47 PolarHBondContact N-O 2.88Å; L39-R47 PolarHBondContact O-N 3.35Å; P45-R47 PolarHBondContact O-N 3.35Å
48R63.8Low65.5Low88 Ų8866.8 Ų66.833%0.33232%0.316SS..EExtended strand (participates in β ladder)trans-103.6121.4175.7-61-174.4176.9170.7-2.2109.1F38 V46F38-R48 HydrophobicContact CD1-CG 3.65Å; F38-R48 HydrophobicContact CE1-CG 3.72Å; V46-R48 HydrophobicContact CG1-CG 4Å; V46-R48 PolarHBondContact O-N 3.46Å
49T67.1Low67.5Low44 Ų4466.6 Ų66.627%0.2732%0.317SS..EExtended strand (participates in β ladder)trans-114.5129168.162.50000109.2R37 A51R37-T49 PolarHBondContact N-O 2.98Å; R37-T49 PolarHBondContact O-N 3.29Å; R37-T49 VanDerWaalsContact O-N 3.13Å; T49-A51 PolarHBondContact O-N 2.87Å; T49-A51 PolarHBondContact OG1-O 3.05Å
50A69.8Low69.6Low40 Ų4063.3 Ų63.333%0.33130%0.3SS..SBendtrans-74.9-3.9169.900000112.6A52A50-A52 PolarHBondContact O-N 3.45Å; A50-A52 VanDerWaalsContact O-N 3.11Å
51A72Confident71.8Confident4 Ų465 Ų653%0.03331%0.308CS..  trans-70.196.6163.500000108R37 T49 M55 L162R37-A51 WeakPolarHBondContact CG-O 3.27Å; R37-A51 PolarHBondContact NE-O 2.79Å; R37-A51 PolarHBondContact NH2-O 3.11Å; T49-A51 PolarHBondContact O-N 2.87Å; T49-A51 PolarHBondContact OG1-O 3.05Å; A51-M55 HydrophobicContact CB-CE 4.03Å; A51-M55 HydrophobicContact CB-SD 3.48Å; A51-M55 WeakPolarHBondContact CB-SD 3.18Å; A51-L162 HydrophobicContact CB-CD2 4.48Å
52A78.9Confident74Confident2 Ų268.5 Ų68.52%0.01732%0.319CS..SBendtrans-148.6-156.1-17800000109.8G33 R37 A50 N54 M55 L56G33-A52 WeakPolarHBondContact O-CB 3.41Å; R37-A52 HydrophobicContact CG-CB 3.87Å; A50-A52 PolarHBondContact O-N 3.45Å; A50-A52 VanDerWaalsContact O-N 3.11Å; A52-N54 PolarHBondContact O-N 2.58Å; A52-N54 VanDerWaalsContact O-N 3.11Å; A52-M55 WeakPolarHBondContact O-CA 3.27Å; A52-M55 WeakPolarHBondContact O-CB 3.4Å; A52-M55 PolarHBondContact O-N 3.38Å; A52-L56 PolarHBondContact O-N 3.1Å
53G81.9Confident76.3Confident13 Ų1362.7 Ų62.713%0.13430%0.298CS..Hα-helixtrans-54.3-33.3-178.800000114.8G33 R34 M55 L56 N57G33-G53 PolarHBondContact O-N 3.36Å; R34-G53 CarbonylContact O-C 3.49Å; R34-G53 WeakPolarHBondContact O-CA 3.26Å; R34-G53 PolarHBondContact O-N 3.47Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.19Å; G53-L56 PolarHBondContact O-N 3.34Å; G53-N57 VanDerWaalsContact O-CG 3.22Å; G53-N57 PolarHBondContact O-N 3.06Å; G53-N57 PolarHBondContact O-OD1 2.93Å; G53-N57 VanDerWaalsContact O-OD1 3.14Å
54N85.4Confident78.6Confident56 Ų5653.6 Ų53.630%0.29926%0.258SS..Hα-helixtrans-66.5-33.8175.1-77.8-2.8000112.7R34 A52 R58R34-N54 WeakPolarHBondContact CG-OD1 3.48Å; R34-N54 PolarHBondContact O-N 2.92Å; R34-N54 PolarHBondContact O-OD1 3.38Å; A52-N54 PolarHBondContact O-N 2.58Å; A52-N54 VanDerWaalsContact O-N 3.11Å; N54-R58 WeakPolarHBondContact O-CG 3.33Å; N54-R58 PolarHBondContact O-N 3.05Å; N54-R58 VanDerWaalsContact O-N 3.16Å
55M85.4Confident81.1Confident16 Ų1657 Ų578%0.07926%0.264CS..Hα-helixtrans-67.8-47.1174.8-169.8177.897.700110.3A51 A52 G53 N57 R58 L59 A161 L162A51-M55 HydrophobicContact CB-CE 4.03Å; A51-M55 HydrophobicContact CB-SD 3.48Å; A51-M55 WeakPolarHBondContact CB-SD 3.18Å; A52-M55 WeakPolarHBondContact O-CA 3.27Å; A52-M55 WeakPolarHBondContact O-CB 3.4Å; A52-M55 PolarHBondContact O-N 3.38Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.19Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.05Å; M55-R58 WeakPolarHBondContact O-CA 3.49Å; M55-R58 WeakPolarHBondContact O-CB 3.49Å; M55-R58 PolarHBondContact O-N 3.38Å; M55-L59 HydrophobicContact CE-CD1 4.1Å; M55-L59 HydrophobicContact CG-CD1 4.29Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 2.87Å; M55-A161 HydrophobicContact CE-CB 4.38Å; M55-A161 WeakPolarHBondContact CE-O 3.05Å; M55-L162 HydrophobicContact CE-CD2 3.55Å; M55-L162 HydrophobicContact CE-CG 4.13Å
56L89.7Confident82.8Confident24 Ų2458.3 Ų58.313%0.12626%0.264CS..Hα-helixtrans-55.1-46.3173.9-68.9178.2000111.4A52 G53 R58 L59 C60 K117 V158 L162A52-L56 PolarHBondContact O-N 3.1Å; G53-L56 PolarHBondContact O-N 3.34Å; L56-R58 PolarHBondContact O-N 2.81Å; L56-L59 PolarHBondContact O-N 2.89Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L56-C60 PolarHBondContact O-N 3.35Å; L56-C60 PolarHBondContact O-SG 2.91Å; L56-K117 HydrophobicContact CB-CD 3.75Å; L56-K117 HydrophobicContact CD1-CD 3.92Å; L56-V158 HydrophobicContact CD2-CG1 3.99Å; L56-V158 VanDerWaalsContact CD2-O 3.29Å; L56-V158 WeakPolarHBondContact CD2-O 3.44Å; L56-L162 HydrophobicContact CD1-CD1 3.86Å; L56-L162 HydrophobicContact CD2-CD1 3.66Å; L56-L162 HydrophobicContact CD2-CD2 4.32Å; L56-L162 HydrophobicContact CD2-CG 3.8Å; L56-L162 HydrophobicContact CG-CD1 3.88Å; L56-L162 HydrophobicContact CG-CD2 4.28Å; L56-L162 HydrophobicContact CG-CG 4.22Å
57N91.3Very high84.1Confident21 Ų2161.9 Ų61.911%0.11228%0.277CS..Hα-helixtrans-59.1-36.3177.4-68.41.4000112.5G53 M55 K61 I113 K117G53-N57 VanDerWaalsContact O-CG 3.22Å; G53-N57 PolarHBondContact O-N 3.06Å; G53-N57 PolarHBondContact O-OD1 2.93Å; G53-N57 VanDerWaalsContact O-OD1 3.14Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.05Å; N57-K61 WeakPolarHBondContact O-CG 3.46Å; N57-K61 PolarHBondContact O-N 3.01Å; N57-K61 VanDerWaalsContact O-N 3.14Å; N57-I113 HydrophobicContact CB-CG2 4.3Å; N57-K117 PolarHBondContact OD1-NZ 2.9Å
58R89.8Confident85.6Confident153 Ų15360 Ų6058%0.57728%0.281SS*.Hα-helixtrans-70.2-40.2175.8-72.4-175.2-65.1176.34.4111.8N54 M55 L56 K61 K62N54-R58 WeakPolarHBondContact O-CG 3.33Å; N54-R58 PolarHBondContact O-N 3.05Å; N54-R58 VanDerWaalsContact O-N 3.16Å; M55-R58 WeakPolarHBondContact O-CA 3.49Å; M55-R58 WeakPolarHBondContact O-CB 3.49Å; M55-R58 PolarHBondContact O-N 3.38Å; L56-R58 PolarHBondContact O-N 2.81Å; R58-K61 WeakPolarHBondContact O-CB 3.18Å; R58-K61 PolarHBondContact O-N 3.37Å; R58-K62 PolarHBondContact O-N 2.81Å
59L91.1Very high86.9Confident38 Ų3856.3 Ų56.320%0.19927%0.267CS..Hα-helixtrans-67.4-43.5177.1-67.5173.4000111.8M55 L56 K61 K62 L63 V158 A161M55-L59 HydrophobicContact CE-CD1 4.1Å; M55-L59 HydrophobicContact CG-CD1 4.29Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 2.89Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-K62 WeakPolarHBondContact O-CB 3.09Å; L59-K62 PolarHBondContact O-N 3Å; L59-L63 PolarHBondContact O-N 3.03Å; L59-V158 HydrophobicContact CB-CG1 3.86Å; L59-A161 HydrophobicContact CD1-CB 3.48Å; L59-A161 VanDerWaalsContact CD1-CB 3.48Å
60C92.9Very high87.9Confident0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-56.1-45.7171-65.60000111.4L56 K62 L63 L64 I113 F116L56-C60 PolarHBondContact O-N 3.35Å; L56-C60 PolarHBondContact O-SG 2.91Å; C60-K62 VanDerWaalsContact C-N 3.28Å; C60-K62 PolarHBondContact O-N 3.14Å; C60-L63 PolarHBondContact O-N 3.27Å; C60-L64 VanDerWaalsContact O-CG 3.28Å; C60-L64 WeakPolarHBondContact O-CG 3.16Å; C60-L64 PolarHBondContact O-N 3.3Å; C60-I113 HydrophobicContact CB-CG2 3.82Å; C60-F116 HydrophobicContact CB-CD1 4.06Å; C60-F116 HydrophobicContact CB-CE1 4.15Å
61K93Very high89Confident79 Ų7956.8 Ų56.834%0.34327%0.267SS..Hα-helixtrans-60-38.3175.5-77.1-179.7179.3-172.20112.4N57 R58 L59 R65 I113N57-K61 WeakPolarHBondContact O-CG 3.46Å; N57-K61 PolarHBondContact O-N 3.01Å; N57-K61 VanDerWaalsContact O-N 3.14Å; R58-K61 WeakPolarHBondContact O-CB 3.18Å; R58-K61 PolarHBondContact O-N 3.37Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-R65 VanDerWaalsContact O-CG 3.26Å; K61-R65 WeakPolarHBondContact O-CG 3.45Å; K61-R65 PolarHBondContact O-N 3.15Å; K61-R65 VanDerWaalsContact O-N 3.13Å; K61-I113 HydrophobicContact CD-CD1 3.84Å; K61-I113 HydrophobicContact CG-CD1 3.36Å; K61-I113 HydrophobicContact CG-CG1 4.35Å
62K92.9Very high89.9Confident124 Ų12458 Ų5854%0.53927%0.273SS..Hα-helixtrans-66.7-47.9178.5-167.9-174178.5-163.50110.8R58 L59 C60 L64 R65 E66R58-K62 PolarHBondContact O-N 2.81Å; L59-K62 WeakPolarHBondContact O-CB 3.09Å; L59-K62 PolarHBondContact O-N 3Å; C60-K62 VanDerWaalsContact C-N 3.28Å; C60-K62 PolarHBondContact O-N 3.14Å; K62-L64 PolarHBondContact O-N 3.17Å; K62-R65 WeakPolarHBondContact O-CB 3.26Å; K62-R65 PolarHBondContact O-N 3.27Å; K62-R65 VanDerWaalsContact O-N 3.14Å; K62-E66 WeakPolarHBondContact CE-OE1 3.28Å; K62-E66 IonicContact NZ-OE1 2.67Å; K62-E66 WeakPolarHBondContact O-CG 3.41Å; K62-E66 PolarHBondContact O-N 2.96Å
63L92.4Very high90.4Very high14 Ų1458 Ų587%0.07327%0.273CS..Hα-helixtrans-57-47.3176.4-174.1162.2000111.6L59 C60 R65 E66 K67 F116 F151 E154 V158L59-L63 PolarHBondContact O-N 3.03Å; C60-L63 PolarHBondContact O-N 3.27Å; L63-R65 VanDerWaalsContact C-N 3.28Å; L63-R65 PolarHBondContact O-N 2.71Å; L63-E66 PolarHBondContact O-N 3.42Å; L63-K67 HydrophobicContact CD2-CG 4.43Å; L63-K67 PolarHBondContact O-N 2.86Å; L63-F116 HydrophobicContact CD2-CZ 4.49Å; L63-F151 HydrophobicContact CD2-CD1 4.11Å; L63-F151 HydrophobicContact CD2-CE1 3.65Å; L63-E154 HydrophobicContact CD1-CB 3.95Å; L63-V158 HydrophobicContact CD1-CG2 3.5Å
64L92.7Very high90.8Very high2 Ų260.2 Ų60.21%0.0129%0.286CS..Hα-helixtrans-64.8-32.9179.1-65.5172.6000112.5C60 K62 N68 I69 V71 F116 F143 F151C60-L64 VanDerWaalsContact O-CG 3.28Å; C60-L64 WeakPolarHBondContact O-CG 3.16Å; C60-L64 PolarHBondContact O-N 3.3Å; K62-L64 PolarHBondContact O-N 3.17Å; L64-N68 PolarHBondContact O-N 3.12Å; L64-I69 HydrophobicContact CD2-CB 4.34Å; L64-I69 HydrophobicContact CD2-CD1 4.1Å; L64-I69 PolarHBondContact O-N 2.91Å; L64-V71 HydrophobicContact CB-CG2 4.13Å; L64-V71 HydrophobicContact CD1-CG2 3.53Å; L64-V71 HydrophobicContact CG-CG2 4.42Å; L64-F116 HydrophobicContact CD1-CD1 4.46Å; L64-F116 HydrophobicContact CD2-CE2 4.2Å; L64-F116 HydrophobicContact CD2-CZ 4.13Å; L64-F143 HydrophobicContact CD1-CE1 4.32Å; L64-F143 HydrophobicContact CD2-CE1 4.08Å; L64-F143 HydrophobicContact CD2-CZ 3.58Å; L64-F151 HydrophobicContact CD2-CE1 4.41Å; L64-F151 HydrophobicContact CD2-CZ 4.11Å
65R93.2Very high91Very high197 Ų19759 Ų5974%0.74328%0.278SS*.Hα-helixtrans-69.7-41.9172.1-73.5174.6-174.3-155.2-0.9112.2K61 K62 L63 K67 N68K61-R65 VanDerWaalsContact O-CG 3.26Å; K61-R65 WeakPolarHBondContact O-CG 3.45Å; K61-R65 PolarHBondContact O-N 3.15Å; K61-R65 VanDerWaalsContact O-N 3.13Å; K62-R65 WeakPolarHBondContact O-CB 3.26Å; K62-R65 PolarHBondContact O-N 3.27Å; K62-R65 VanDerWaalsContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.28Å; L63-R65 PolarHBondContact O-N 2.71Å; R65-K67 PolarHBondContact O-N 3.11Å; R65-N68 PolarHBondContact O-N 2.8Å
66E92.8Very high91.2Very high101 Ų10164.3 Ų64.347%0.47230%0.297SS..Hα-helixtrans-60.2-36.2176.6-72.7171-171.500111.5K62 L63 N68K62-E66 WeakPolarHBondContact CE-OE1 3.28Å; K62-E66 IonicContact NZ-OE1 2.67Å; K62-E66 WeakPolarHBondContact O-CG 3.41Å; K62-E66 PolarHBondContact O-N 2.96Å; L63-E66 PolarHBondContact O-N 3.42Å; E66-N68 VanDerWaalsContact C-N 3.31Å; E66-N68 PolarHBondContact O-N 2.7Å
67K89.9Confident91.2Very high101 Ų10164.3 Ų64.344%0.43930%0.297SS..THydrogen-bonded Turntrans-82.71.2174.3-69.5-71.8-174.4-179.90114.8L63 R65 I69 E154L63-K67 HydrophobicContact CD2-CG 4.43Å; L63-K67 PolarHBondContact O-N 2.86Å; R65-K67 PolarHBondContact O-N 3.11Å; K67-I69 HydrophobicContact CB-CD1 3.72Å; K67-I69 HydrophobicContact CB-CG1 3.8Å; K67-I69 HydrophobicContact CG-CD1 4.49Å; K67-I69 PolarHBondContact O-N 2.95Å; K67-E154 WeakPolarHBondContact CE-OE1 3.32Å; K67-E154 WeakPolarHBondContact CE-OE2 3.36Å; K67-E154 IonicContact NZ-OE1 2.74Å; K67-E154 PolarHBondContact NZ-OE1 3.33Å; K67-E154 IonicContact NZ-OE2 2.68Å
68N90.7Very high91.1Very high144 Ų14465.3 Ų65.377%0.7731%0.312SS*.THydrogen-bonded Turntrans55.133.5-174.5-60.6-62000114.4L64 R65 E66 P70L64-N68 PolarHBondContact O-N 3.12Å; R65-N68 PolarHBondContact O-N 2.8Å; E66-N68 VanDerWaalsContact C-N 3.31Å; E66-N68 PolarHBondContact O-N 2.7Å; N68-P70 WeakPolarHBondContact O-CD 3.49Å
69I91.3Very high91Very high9 Ų965.2 Ų65.25%0.04632%0.316CS..  trans-92.1115.7179.1-57.1171.2000109.2L64 K67 V71 F143 H149 F151L64-I69 HydrophobicContact CD2-CB 4.34Å; L64-I69 HydrophobicContact CD2-CD1 4.1Å; L64-I69 PolarHBondContact O-N 2.91Å; K67-I69 HydrophobicContact CB-CD1 3.72Å; K67-I69 HydrophobicContact CB-CG1 3.8Å; K67-I69 HydrophobicContact CG-CD1 4.49Å; K67-I69 PolarHBondContact O-N 2.95Å; I69-V71 PolarHBondContact O-N 3.26Å; I69-F143 HydrophobicContact CD1-CE2 4.34Å; I69-F143 HydrophobicContact CG2-CD2 4.15Å; I69-F143 HydrophobicContact CG2-CE1 4.28Å; I69-F143 HydrophobicContact CG2-CE2 3.72Å; I69-F143 HydrophobicContact CG2-CZ 3.81Å; I69-H149 HydrophobicContact CD1-CB 3.96Å; I69-F151 HydrophobicContact CD1-CE1 4.37Å; I69-F151 HydrophobicContact CD1-CZ 3.91Å
70P89.9Confident90.9Very high57 Ų5766.6 Ų66.637%0.3733%0.329SS..  trans-72.5122.4178.729.2-33.7000110.7N68 I72 P89N68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-I72 HydrophobicContact CB-CD1 4.3Å; P70-I72 HydrophobicContact CG-CD1 4.43Å; P70-I72 PolarHBondContact O-N 3.35Å; P70-P89 HydrophobicContact CG-CG 3.74Å
71V91.6Very high90.6Very high37 Ų3771.6 Ų71.622%0.22435%0.352CS..  trans-89.5106.5173.8-169.90000109L64 I69 T109 V112 I113L64-V71 HydrophobicContact CB-CG2 4.13Å; L64-V71 HydrophobicContact CD1-CG2 3.53Å; L64-V71 HydrophobicContact CG-CG2 4.42Å; I69-V71 PolarHBondContact O-N 3.26Å; V71-T109 HydrophobicContact CB-CG2 4.09Å; V71-T109 HydrophobicContact CG1-CG2 3.63Å; V71-V112 HydrophobicContact CG1-CB 4.11Å; V71-V112 HydrophobicContact CG1-CG1 3.95Å; V71-I113 HydrophobicContact CG1-CG1 4.21Å
72I90.9Very high90.2Very high30 Ų3078.6 Ų78.615%0.15438%0.376CS..  trans-107.5129.4179.7-61.6145.1000108.5P70 R76 I77 P89 F91 A145P70-I72 HydrophobicContact CB-CD1 4.3Å; P70-I72 HydrophobicContact CG-CD1 4.43Å; P70-I72 PolarHBondContact O-N 3.35Å; I72-R76 HydrophobicContact CG2-CB 3.91Å; I72-I77 HydrophobicContact CB-CD1 4.41Å; I72-I77 HydrophobicContact CG2-CD1 4.01Å; I72-I77 HydrophobicContact CG2-CG1 3.93Å; I72-P89 HydrophobicContact CD1-CG 4.17Å; I72-F91 HydrophobicContact CD1-CD1 4.21Å; I72-F91 HydrophobicContact CD1-CE1 3.28Å; I72-F91 HydrophobicContact CD1-CZ 3.49Å; I72-F91 VanDerWaalsContact CD1-CZ 3.49Å; I72-F91 HydrophobicContact CG1-CE1 4.46Å; I72-F91 HydrophobicContact CG1-CZ 4.25Å; I72-F91 HydrophobicContact CG2-CE2 4.37Å; I72-F91 HydrophobicContact CG2-CZ 4.23Å; I72-A145 HydrophobicContact CD1-CB 4.09Å
73G90.3Very high90Very high2 Ų274.4 Ų74.42%0.02136%0.361CS..  trans-67.3139.8174.300000111.1Y75 R76G73-Y75 PolarHBondContact O-N 3.2Å; G73-R76 PolarHBondContact O-N 3.05Å
74S89.4Confident89.8Confident59 Ų5976.6 Ų76.641%0.41338%0.381SS..G310 helixtrans-52.3-31.4-174.4-48.40000114.4R76 I77S74-R76 VanDerWaalsContact C-N 3.26Å; S74-R76 PolarHBondContact O-N 3.34Å; S74-I77 PolarHBondContact O-N 3.27Å; S74-I77 VanDerWaalsContact O-N 3.15Å
75Y90.4Very high89.5Confident32 Ų3281 Ų8113%0.12541%0.409CS..G310 helixtrans-61.2-28.5179.673.7-76.6000114.3G73 I77 T94 L97 V100 Y104 C105 M108G73-Y75 PolarHBondContact O-N 3.2Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; Y75-T94 PolarHBondContact O-OG1 3.37Å; Y75-L97 HydrophobicContact CD2-CD2 3.66Å; Y75-L97 HydrophobicContact CE2-CD2 4.31Å; Y75-V100 HydrophobicContact CD2-CG2 4.29Å; Y75-V100 HydrophobicContact CE2-CB 4.31Å; Y75-V100 HydrophobicContact CE2-CG1 4.04Å; Y75-V100 HydrophobicContact CE2-CG2 3.89Å; Y75-Y104 HydrophobicContact CD1-CE1 4Å; Y75-Y104 AromaticContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CE1-CE1 4.36Å; Y75-Y104 HydrophobicContact CE2-CD1 4.42Å; Y75-Y104 HydrophobicContact CE2-CE1 4.24Å; Y75-Y104 AromaticContact CG-CE1 3.76Å; Y75-Y104 HydrophobicContact CG-CE1 3.76Å; Y75-C105 WeakPolarHBondContact OH-CB 3.34Å; Y75-C105 PolarHBondContact OH-SG 3.46Å; Y75-M108 HydrophobicContact CD1-CB 3.55Å; Y75-M108 HydrophobicContact CD1-CE 4.35Å; Y75-M108 HydrophobicContact CD1-CG 3.6Å; Y75-M108 HydrophobicContact CE1-CB 3.66Å; Y75-M108 HydrophobicContact CE1-CG 3.99Å; Y75-M108 HydrophobicContact CG-CG 4.37Å
76R89.3Confident89.2Confident127 Ų12774 Ų7448%0.47940%0.398SS..G310 helixtrans-79.5-15.9179.4-67.4-172.4177.7-171.2-4.7113.2I72 G73 S74 V93 T94I72-R76 HydrophobicContact CG2-CB 3.91Å; G73-R76 PolarHBondContact O-N 3.05Å; S74-R76 VanDerWaalsContact C-N 3.26Å; S74-R76 PolarHBondContact O-N 3.34Å; R76-V93 WeakPolarHBondContact O-CA 3.36Å; R76-T94 PolarHBondContact O-N 2.88Å
77I90.2Very high88.9Confident23 Ų2375.1 Ų75.112%0.11840%0.402CS..EExtended strand (participates in β ladder)trans-92.5116.3-173-64.2154000108.2I72 S74 Y75 F91 T94 P144 A145I72-I77 HydrophobicContact CB-CD1 4.41Å; I72-I77 HydrophobicContact CG2-CD1 4.01Å; I72-I77 HydrophobicContact CG2-CG1 3.93Å; S74-I77 PolarHBondContact O-N 3.27Å; S74-I77 VanDerWaalsContact O-N 3.15Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; I77-F91 HydrophobicContact CB-CD2 4.4Å; I77-F91 HydrophobicContact CG1-CD2 3.88Å; I77-F91 HydrophobicContact CG1-CE2 4.29Å; I77-F91 HydrophobicContact CG1-CG 4.23Å; I77-F91 HydrophobicContact CG2-CB 4.16Å; I77-T94 VanDerWaalsContact C-OG1 3.26Å; I77-T94 PolarHBondContact O-OG1 2.96Å; I77-P144 HydrophobicContact CD1-CB 3.76Å; I77-A145 HydrophobicContact CD1-CB 3.93Å; I77-A145 HydrophobicContact CG1-CB 4.43Å
78G87.7Confident88.8Confident42 Ų4274.7 Ų74.743%0.43341%0.41SS..EExtended strand (participates in β ladder)trans-85.7-73.3174.700000110.9S92 T94G78-S92 WeakPolarHBondContact CA-O 3.29Å; G78-S92 PolarHBondContact N-O 2.91Å; G78-T94 WeakPolarHBondContact CA-OG1 3.45Å; G78-T94 PolarHBondContact N-OG1 3.35Å
79K88.3Confident88.7Confident151 Ų15168.9 Ų68.966%0.65738%0.379SS*.EExtended strand (participates in β ladder)trans-117.2123.3172.7-62.9179.5179.6179.20108.8F91 S92K79-F91 CarbonylContact O-C 3.54Å; K79-F91 VanDerWaalsContact O-CA 3.27Å; K79-F91 WeakPolarHBondContact O-CA 3.39Å; K79-S92 WeakPolarHBondContact CB-OG 3.48Å; K79-S92 PolarHBondContact N-OG 2.91Å; K79-S92 PolarHBondContact O-N 3.44Å
80S88.4Confident88.6Confident67 Ų6772.3 Ų72.347%0.46940%0.401SS..EExtended strand (participates in β ladder)trans-90.9137172.853.60000110.1
81H88.2Confident88.5Confident105 Ų10572.4 Ų72.449%0.48640%0.396SS..EExtended strand (participates in β ladder)trans-103.3138.9170.5-65.9-78.9000109.2V83 V90H81-V83 WeakPolarHBondContact O-CG2 3.49Å; H81-V83 PolarHBondContact O-N 3.01Å; H81-V90 HydrophobicContact CB-CB 4.39Å; H81-V90 HydrophobicContact CB-CG1 4.4Å; H81-V90 WeakPolarHBondContact CB-O 3.48Å; H81-V90 PolarHBondContact N-O 3.32Å
82R84.8Confident88.4Confident226 Ų22673 Ų7385%0.85340%0.401SS*.PPolyproline II helixtrans-69.5126.7173.1-68.3-174.8178.9-169.9-0.8108.4
83V88.3Confident88.2Confident37 Ų3776.1 Ų76.122%0.22442%0.421CS..  trans-114.6153.4177-158.20000108.6H81 K87 V90H81-V83 WeakPolarHBondContact O-CG2 3.49Å; H81-V83 PolarHBondContact O-N 3.01Å; V83-K87 HydrophobicContact CB-CB 4.42Å; V83-K87 HydrophobicContact CG1-CB 3.43Å; V83-K87 VanDerWaalsContact CG1-CB 3.43Å; V83-K87 HydrophobicContact CG1-CG 4.23Å; V83-V90 HydrophobicContact CG2-CB 4.03Å; V83-V90 HydrophobicContact CG2-CG2 4Å
84A87.6Confident88.1Confident59 Ų5978.2 Ų78.249%0.48843%0.434SS..  trans-53.7148.1171.900000111.3G86 K87A84-G86 PolarHBondContact O-N 3.35Å; A84-K87 HydrophobicContact CB-CG 4.15Å; A84-K87 WeakPolarHBondContact O-CB 3.5Å; A84-K87 PolarHBondContact O-N 2.66Å
85P87Confident87.4Confident94 Ų9482.9 Ų82.961%0.6145%0.449SS*.THydrogen-bonded Turntrans-56.7136.7-178.924.2-33.8000111K87 T148P85-K87 VanDerWaalsContact C-N 3.32Å; P85-K87 PolarHBondContact O-N 3.5Å; P85-T148 WeakPolarHBondContact CA-O 3.35Å
86G85.9Confident87Confident50 Ų5092 Ų9252%0.51549%0.485SS..THydrogen-bonded Turntrans84.1-9.7179.600000116.3A84 T148A84-G86 PolarHBondContact O-N 3.35Å; G86-T148 PolarHBondContact N-O 3.3Å
87K87.6Confident86.7Confident126 Ų12688.9 Ų88.955%0.54848%0.478SS..SBendtrans-82.6154.4176.5-67.6-63.9-176.3-1780111.9V83 A84 P85V83-K87 HydrophobicContact CB-CB 4.42Å; V83-K87 HydrophobicContact CG1-CB 3.43Å; V83-K87 VanDerWaalsContact CG1-CB 3.43Å; V83-K87 HydrophobicContact CG1-CG 4.23Å; A84-K87 HydrophobicContact CB-CG 4.15Å; A84-K87 WeakPolarHBondContact O-CB 3.5Å; A84-K87 PolarHBondContact O-N 2.66Å; P85-K87 VanDerWaalsContact C-N 3.32Å; P85-K87 PolarHBondContact O-N 3.5Å
88P86.9Confident86.6Confident92 Ų9292.4 Ų92.460%0.59750%0.502SS*.PPolyproline II helixtrans-61.8150.9175.727.3-35.4000111
89P88.6Confident86.5Confident21 Ų2196.7 Ų96.714%0.13653%0.525CS..PPolyproline II helixtrans-68.1141.5-178.626.5-33000112.3P70 I72 F91 A145 N147P70-P89 HydrophobicContact CG-CG 3.74Å; I72-P89 HydrophobicContact CD1-CG 4.17Å; P89-F91 HydrophobicContact CB-CD1 4.14Å; P89-F91 HydrophobicContact CG-CE1 4.4Å; P89-A145 HydrophobicContact CB-CB 3.5Å; P89-A145 HydrophobicContact CG-CB 4.11Å; P89-N147 HydrophobicContact CB-CB 4.03Å
90V88.7Confident86.5Confident82 Ų8291.4 Ų91.450%0.49751%0.506SS..EExtended strand (participates in β ladder)trans-115109.3171.6-178.90000107.6H81 V83H81-V90 HydrophobicContact CB-CB 4.39Å; H81-V90 HydrophobicContact CB-CG1 4.4Å; H81-V90 WeakPolarHBondContact CB-O 3.48Å; H81-V90 PolarHBondContact N-O 3.32Å; V83-V90 HydrophobicContact CG2-CB 4.03Å; V83-V90 HydrophobicContact CG2-CG2 4Å
91F89.4Confident86.8Confident59 Ų5992.8 Ų92.826%0.25951%0.511SS..EExtended strand (participates in β ladder)trans-140.6147179.564.3-79.7000110.5I72 I77 K79 P89 V93 A145I72-F91 HydrophobicContact CD1-CD1 4.21Å; I72-F91 HydrophobicContact CD1-CE1 3.28Å; I72-F91 HydrophobicContact CD1-CZ 3.49Å; I72-F91 VanDerWaalsContact CD1-CZ 3.49Å; I72-F91 HydrophobicContact CG1-CE1 4.46Å; I72-F91 HydrophobicContact CG1-CZ 4.25Å; I72-F91 HydrophobicContact CG2-CE2 4.37Å; I72-F91 HydrophobicContact CG2-CZ 4.23Å; I77-F91 HydrophobicContact CB-CD2 4.4Å; I77-F91 HydrophobicContact CG1-CD2 3.88Å; I77-F91 HydrophobicContact CG1-CE2 4.29Å; I77-F91 HydrophobicContact CG1-CG 4.23Å; I77-F91 HydrophobicContact CG2-CB 4.16Å; K79-F91 CarbonylContact O-C 3.54Å; K79-F91 VanDerWaalsContact O-CA 3.27Å; K79-F91 WeakPolarHBondContact O-CA 3.39Å; P89-F91 HydrophobicContact CB-CD1 4.14Å; P89-F91 HydrophobicContact CG-CE1 4.4Å; F91-V93 HydrophobicContact CE2-CG2 4.32Å; F91-A145 HydrophobicContact CD1-CB 4.06Å
92S88.2Confident87Confident50 Ų5093.2 Ų93.235%0.3552%0.517SS..EExtended strand (participates in β ladder)trans-79.6142.3167.270.20000109.8G78 K79G78-S92 WeakPolarHBondContact CA-O 3.29Å; G78-S92 PolarHBondContact N-O 2.91Å; K79-S92 WeakPolarHBondContact CB-OG 3.48Å; K79-S92 PolarHBondContact N-OG 2.91Å; K79-S92 PolarHBondContact O-N 3.44Å
93V87.8Confident87.4Confident94 Ų9487.9 Ų87.957%0.5751%0.506SS*.EExtended strand (participates in β ladder)trans-76.3137.3173.5-178.30000108.7R76 F91 Q95 L97R76-V93 WeakPolarHBondContact O-CA 3.36Å; F91-V93 HydrophobicContact CE2-CG2 4.32Å; V93-Q95 PolarHBondContact O-N 3.01Å; V93-Q95 VanDerWaalsContact O-N 3.11Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å
94T86.8Confident87.6Confident47 Ų4791.1 Ų91.129%0.28851%0.514SS..PPolyproline II helixtrans-57.9116.3175.9-48.50000110Y75 R76 I77 G78 L97Y75-T94 PolarHBondContact O-OG1 3.37Å; R76-T94 PolarHBondContact O-N 2.88Å; I77-T94 VanDerWaalsContact C-OG1 3.26Å; I77-T94 PolarHBondContact O-OG1 2.96Å; G78-T94 WeakPolarHBondContact CA-OG1 3.45Å; G78-T94 PolarHBondContact N-OG1 3.35Å; T94-L97 HydrophobicContact CG2-CG 4.47Å; T94-L97 WeakPolarHBondContact O-CD1 3.48Å
95Q75.8Confident87.8Confident157 Ų15789.1 Ų89.173%0.73450%0.497SS*.THydrogen-bonded Turntrans-69133.4172.2-62.2173.4-6.400106.6V93V93-Q95 PolarHBondContact O-N 3.01Å; V93-Q95 VanDerWaalsContact O-N 3.11Å
96Y81.7Confident88.1Confident222 Ų22292.3 Ų92.387%0.87150%0.497SS*.THydrogen-bonded Turntrans80.737.1-176.7-37.1-71.4000117.8
97L83.5Confident88.4Confident63 Ų6396.2 Ų96.233%0.3350%0.497SS..  trans-73.4127.1168.1-83151.2000111.5Y75 V93 T94Y75-L97 HydrophobicContact CD2-CD2 3.66Å; Y75-L97 HydrophobicContact CE2-CD2 4.31Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; T94-L97 HydrophobicContact CG2-CG 4.47Å; T94-L97 WeakPolarHBondContact O-CD1 3.48Å
98P87.1Confident88.7Confident97 Ų9791.7 Ų91.763%0.6348%0.478SS*.  trans-64.9161.8169.428.5-34000110.5V100P98-V100 WeakPolarHBondContact O-CG2 3.14Å; P98-V100 PolarHBondContact O-N 3.24Å
99S86.9Confident89Confident131 Ų13188.9 Ų88.992%0.91646%0.459SS*.  trans-61113171.4-174.90000109.4
100V87.8Confident89.2Confident41 Ų4188.5 Ų88.525%0.24846%0.459CS..  trans-97.2132.1-173-179.50000109.9Y75 P98 Y104Y75-V100 HydrophobicContact CD2-CG2 4.29Å; Y75-V100 HydrophobicContact CE2-CB 4.31Å; Y75-V100 HydrophobicContact CE2-CG1 4.04Å; Y75-V100 HydrophobicContact CE2-CG2 3.89Å; P98-V100 WeakPolarHBondContact O-CG2 3.14Å; P98-V100 PolarHBondContact O-N 3.24Å; V100-Y104 HydrophobicContact CG1-CD1 3.2Å; V100-Y104 HydrophobicContact CG1-CE1 4.06Å; V100-Y104 HydrophobicContact CG1-CG 3.74Å
101T94Very high89.5Confident95 Ų9587.3 Ų87.358%0.58345%0.448SS*.  trans-69.8150.2174.462.80000112.1N103 Y104 C105T101-N103 PolarHBondContact O-N 3.1Å; T101-N103 VanDerWaalsContact O-N 3.13Å; T101-Y104 PolarHBondContact O-N 3.26Å; T101-C105 PolarHBondContact O-N 3.21Å; T101-C105 VanDerWaalsContact O-N 3.09Å; T101-C105 PolarHBondContact O-SG 3.35Å; T101-C105 VanDerWaalsContact O-SG 3.42Å
102D92.3Very high89.7Confident114 Ų11484.8 Ų84.861%0.6144%0.438SS*.Hα-helixtrans-55.2-33.6176.8-79.3-6.9000113.6C105 R106D102-C105 WeakPolarHBondContact O-CB 3.21Å; D102-C105 PolarHBondContact O-N 3.39Å; D102-R106 WeakPolarHBondContact O-CB 3.29Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.43Å; D102-R106 PolarHBondContact O-N 2.99Å
103N93.5Very high90Very high115 Ų11582.5 Ų82.562%0.61542%0.422SS*.Hα-helixtrans-65.5-41.4178-75.1-16000111.8T101 R106 Y107T101-N103 PolarHBondContact O-N 3.1Å; T101-N103 VanDerWaalsContact O-N 3.13Å; N103-R106 PolarHBondContact O-N 3.45Å; N103-Y107 WeakPolarHBondContact O-CB 3.44Å; N103-Y107 PolarHBondContact O-N 3.02Å
104Y93.3Very high90.3Very high104 Ų10481.7 Ų81.741%0.40841%0.408SS..Hα-helixtrans-66-43.7174.4-176.3-84.6000111Y75 V100 T101 R106 Y107 M108Y75-Y104 HydrophobicContact CD1-CE1 4Å; Y75-Y104 AromaticContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CE1-CE1 4.36Å; Y75-Y104 HydrophobicContact CE2-CD1 4.42Å; Y75-Y104 HydrophobicContact CE2-CE1 4.24Å; Y75-Y104 AromaticContact CG-CE1 3.76Å; Y75-Y104 HydrophobicContact CG-CE1 3.76Å; V100-Y104 HydrophobicContact CG1-CD1 3.2Å; V100-Y104 HydrophobicContact CG1-CE1 4.06Å; V100-Y104 HydrophobicContact CG1-CG 3.74Å; T101-Y104 PolarHBondContact O-N 3.26Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 2.94Å; Y104-Y107 PolarHBondContact O-N 3.47Å; Y104-Y107 VanDerWaalsContact O-N 3.15Å; Y104-M108 HydrophobicContact CD1-CG 3.74Å; Y104-M108 HydrophobicContact CE1-CG 3.39Å; Y104-M108 HydrophobicContact CE1-SD 4.26Å; Y104-M108 HydrophobicContact CE2-CG 4.3Å; Y104-M108 HydrophobicContact CE2-SD 4.38Å; Y104-M108 HydrophobicContact CG-CG 4.39Å; Y104-M108 WeakPolarHBondContact O-CG 3.48Å; Y104-M108 PolarHBondContact O-N 3.15Å
105C91.2Very high90.6Very high18 Ų1882 Ų8212%0.12241%0.408CS..Hα-helixtrans-54.4-46.4174-61.70000111.6Y75 T101 D102 T109Y75-C105 WeakPolarHBondContact OH-CB 3.34Å; Y75-C105 PolarHBondContact OH-SG 3.46Å; T101-C105 PolarHBondContact O-N 3.21Å; T101-C105 VanDerWaalsContact O-N 3.09Å; T101-C105 PolarHBondContact O-SG 3.35Å; T101-C105 VanDerWaalsContact O-SG 3.42Å; D102-C105 WeakPolarHBondContact O-CB 3.21Å; D102-C105 PolarHBondContact O-N 3.39Å; C105-T109 WeakPolarHBondContact O-CB 3.39Å; C105-T109 PolarHBondContact O-N 3.33Å; C105-T109 PolarHBondContact O-OG1 3.42Å
106R92.2Very high91.5Very high161 Ų16174.5 Ų74.561%0.60837%0.373SS*.Hα-helixtrans-66.2-39.5177.8-73.2171.1-176.2172.92.8112.5D102 N103 Y104 G110D102-R106 WeakPolarHBondContact O-CB 3.29Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.43Å; D102-R106 PolarHBondContact O-N 2.99Å; N103-R106 PolarHBondContact O-N 3.45Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 2.94Å; R106-G110 PolarHBondContact O-N 3.02Å
107Y93.6Very high92.1Very high131 Ų13166 Ų6651%0.51434%0.34SS..Hα-helixtrans-62.3-53.6176.8178.4-96.8000110.6N103 Y104 T109 G110 E111N103-Y107 WeakPolarHBondContact O-CB 3.44Å; N103-Y107 PolarHBondContact O-N 3.02Å; Y104-Y107 PolarHBondContact O-N 3.47Å; Y104-Y107 VanDerWaalsContact O-N 3.15Å; Y107-T109 VanDerWaalsContact C-N 3.35Å; Y107-T109 PolarHBondContact O-N 3.33Å; Y107-G110 CarbonylContact O-C 3.48Å; Y107-G110 VanDerWaalsContact O-CA 3.26Å; Y107-G110 WeakPolarHBondContact O-CA 3.44Å; Y107-G110 PolarHBondContact O-N 2.85Å; Y107-E111 HydrophobicContact CD1-CG 4.23Å; Y107-E111 HydrophobicContact CE1-CG 3.85Å; Y107-E111 PolarHBondContact O-N 3.16Å; Y107-E111 PolarHBondContact OH-OE1 3.01Å
108M93.5Very high92.5Very high31 Ų3171.7 Ų71.715%0.15336%0.362CS..Hα-helixtrans-62.8-39.7-179.4-66.5-55.1-69.100112.5Y75 Y104 G110 E111 V112Y75-M108 HydrophobicContact CD1-CB 3.55Å; Y75-M108 HydrophobicContact CD1-CE 4.35Å; Y75-M108 HydrophobicContact CD1-CG 3.6Å; Y75-M108 HydrophobicContact CE1-CB 3.66Å; Y75-M108 HydrophobicContact CE1-CG 3.99Å; Y75-M108 HydrophobicContact CG-CG 4.37Å; Y104-M108 HydrophobicContact CD1-CG 3.74Å; Y104-M108 HydrophobicContact CE1-CG 3.39Å; Y104-M108 HydrophobicContact CE1-SD 4.26Å; Y104-M108 HydrophobicContact CE2-CG 4.3Å; Y104-M108 HydrophobicContact CE2-SD 4.38Å; Y104-M108 HydrophobicContact CG-CG 4.39Å; Y104-M108 WeakPolarHBondContact O-CG 3.48Å; Y104-M108 PolarHBondContact O-N 3.15Å; M108-G110 VanDerWaalsContact C-N 3.26Å; M108-G110 PolarHBondContact O-N 3.11Å; M108-E111 WeakPolarHBondContact O-CB 3.45Å; M108-E111 PolarHBondContact O-N 3.28Å; M108-V112 PolarHBondContact O-N 3.16Å
109T92.8Very high92.7Very high33 Ų3374 Ų7420%0.20236%0.359CS..Hα-helixtrans-63.4-37.3172-52.80000111V71 C105 Y107 E111 V112 I113V71-T109 HydrophobicContact CB-CG2 4.09Å; V71-T109 HydrophobicContact CG1-CG2 3.63Å; C105-T109 WeakPolarHBondContact O-CB 3.39Å; C105-T109 PolarHBondContact O-N 3.33Å; C105-T109 PolarHBondContact O-OG1 3.42Å; Y107-T109 VanDerWaalsContact C-N 3.35Å; Y107-T109 PolarHBondContact O-N 3.33Å; T109-E111 VanDerWaalsContact C-N 3.34Å; T109-V112 PolarHBondContact O-N 2.9Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CD1 3.27Å; T109-I113 WeakPolarHBondContact O-CG1 3.11Å; T109-I113 PolarHBondContact O-N 3.25Å; T109-I113 VanDerWaalsContact O-N 3.15Å
110G93.6Very high93Very high13 Ų1367.9 Ų67.913%0.13432%0.316CS..Hα-helixtrans-65.4-32.6175.400000113.7R106 Y107 M108 I113 R114R106-G110 PolarHBondContact O-N 3.02Å; Y107-G110 CarbonylContact O-C 3.48Å; Y107-G110 VanDerWaalsContact O-CA 3.26Å; Y107-G110 WeakPolarHBondContact O-CA 3.44Å; Y107-G110 PolarHBondContact O-N 2.85Å; M108-G110 VanDerWaalsContact C-N 3.26Å; M108-G110 PolarHBondContact O-N 3.11Å; G110-I113 PolarHBondContact O-N 2.91Å; G110-R114 WeakPolarHBondContact O-CB 3.44Å; G110-R114 PolarHBondContact O-N 3.43Å
111E93.8Very high93.2Very high58 Ų5867.1 Ų67.127%0.27131%0.311SS..Hα-helixtrans-62.1-49.9172.7-65.9-57.8112.900111.1Y107 M108 T109 I113 R114 D115Y107-E111 HydrophobicContact CD1-CG 4.23Å; Y107-E111 HydrophobicContact CE1-CG 3.85Å; Y107-E111 PolarHBondContact O-N 3.16Å; Y107-E111 PolarHBondContact OH-OE1 3.01Å; M108-E111 WeakPolarHBondContact O-CB 3.45Å; M108-E111 PolarHBondContact O-N 3.28Å; T109-E111 VanDerWaalsContact C-N 3.34Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 2.92Å; E111-R114 WeakPolarHBondContact O-CB 3.5Å; E111-R114 PolarHBondContact O-N 3.39Å; E111-R114 IonicContact OE1-CZ 3.5Å; E111-R114 IonicContact OE1-NH1 2.72Å; E111-R114 PolarHBondContact OE1-NH1 3.25Å; E111-R114 IonicContact OE1-NH2 3.8Å; E111-R114 PolarHBondContact OE1-NH2 3.31Å; E111-R114 IonicContact OE2-CZ 3.72Å; E111-R114 IonicContact OE2-NH1 3.13Å; E111-R114 PolarHBondContact OE2-NH1 3.11Å; E111-D115 PolarHBondContact O-N 3Å
112V94.2Very high93Very high6 Ų666.4 Ų66.44%0.03630%0.301CS..Hα-helixtrans-58.1-42.4177.2-178.50000111.1V71 M108 T109 R114 D115 F116 F143 P144V71-V112 HydrophobicContact CG1-CB 4.11Å; V71-V112 HydrophobicContact CG1-CG1 3.95Å; M108-V112 PolarHBondContact O-N 3.16Å; T109-V112 PolarHBondContact O-N 2.9Å; V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 2.99Å; V112-D115 PolarHBondContact O-N 3.35Å; V112-F116 WeakPolarHBondContact O-CB 3.48Å; V112-F116 PolarHBondContact O-N 3.39Å; V112-F143 HydrophobicContact CG1-CD1 4.34Å; V112-P144 HydrophobicContact CG1-CG 4.11Å; V112-P144 HydrophobicContact CG2-CG 4.02Å
113I94.4Very high92.8Very high2 Ų264.9 Ų64.91%0.0130%0.296CS..Hα-helixtrans-68.2-32.7177.5-66.9157.2000112N57 C60 K61 V71 T109 G110 E111 K117N57-I113 HydrophobicContact CB-CG2 4.3Å; C60-I113 HydrophobicContact CB-CG2 3.82Å; K61-I113 HydrophobicContact CD-CD1 3.84Å; K61-I113 HydrophobicContact CG-CD1 3.36Å; K61-I113 HydrophobicContact CG-CG1 4.35Å; V71-I113 HydrophobicContact CG1-CG1 4.21Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CD1 3.27Å; T109-I113 WeakPolarHBondContact O-CG1 3.11Å; T109-I113 PolarHBondContact O-N 3.25Å; T109-I113 VanDerWaalsContact O-N 3.15Å; G110-I113 PolarHBondContact O-N 2.91Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 2.92Å; I113-K117 VanDerWaalsContact O-CB 3.27Å; I113-K117 WeakPolarHBondContact O-CB 3.42Å; I113-K117 PolarHBondContact O-N 2.9Å
114R93.6Very high92.4Very high77 Ų7760.1 Ų60.129%0.29127%0.272SS..Hα-helixtrans-68.6-40.7176.7-165.4-174.1-55.193-6.4110.8G110 E111 V112 K117 K118G110-R114 WeakPolarHBondContact O-CB 3.44Å; G110-R114 PolarHBondContact O-N 3.43Å; E111-R114 WeakPolarHBondContact O-CB 3.5Å; E111-R114 PolarHBondContact O-N 3.39Å; E111-R114 IonicContact OE1-CZ 3.5Å; E111-R114 IonicContact OE1-NH1 2.72Å; E111-R114 PolarHBondContact OE1-NH1 3.25Å; E111-R114 IonicContact OE1-NH2 3.8Å; E111-R114 PolarHBondContact OE1-NH2 3.31Å; E111-R114 IonicContact OE2-CZ 3.72Å; E111-R114 IonicContact OE2-NH1 3.13Å; E111-R114 PolarHBondContact OE2-NH1 3.11Å; V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 2.99Å; R114-K117 PolarHBondContact O-N 3.32Å; R114-K118 PolarHBondContact O-N 2.98Å
115D94.5Very high91.9Very high52 Ų5262.2 Ų62.228%0.27830%0.295SS..Hα-helixtrans-63.6-48.5173.9-177.467.1000111.3E111 V112 K117 K118 R119 Y141E111-D115 PolarHBondContact O-N 3Å; V112-D115 PolarHBondContact O-N 3.35Å; D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.37Å; D115-K118 WeakPolarHBondContact O-CB 3.34Å; D115-K118 PolarHBondContact O-N 3.4Å; D115-R119 PolarHBondContact O-N 3.46Å; D115-R119 IonicContact OD1-CZ 3.87Å; D115-R119 IonicContact OD1-NE 3.6Å; D115-R119 IonicContact OD2-CZ 3.58Å; D115-R119 IonicContact OD2-NE 3.77Å; D115-R119 IonicContact OD2-NH1 3.71Å; D115-R119 PolarHBondContact OD2-NH1 3.28Å; D115-Y141 WeakPolarHBondContact OD2-CE2 3.26Å; D115-Y141 PolarHBondContact OD2-OH 2.68Å
116F94.3Very high91.5Very high1 Ų167 Ų670%0.00432%0.316CS..Hα-helixtrans-51.8-51.1172.8176-101.4000111.6C60 L63 L64 V112 K118 R119 V120 Y141 F143 F151C60-F116 HydrophobicContact CB-CD1 4.06Å; C60-F116 HydrophobicContact CB-CE1 4.15Å; L63-F116 HydrophobicContact CD2-CZ 4.49Å; L64-F116 HydrophobicContact CD1-CD1 4.46Å; L64-F116 HydrophobicContact CD2-CE2 4.2Å; L64-F116 HydrophobicContact CD2-CZ 4.13Å; V112-F116 WeakPolarHBondContact O-CB 3.48Å; V112-F116 PolarHBondContact O-N 3.39Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.15Å; F116-R119 PolarHBondContact O-N 3.3Å; F116-V120 HydrophobicContact CD2-CB 4.04Å; F116-V120 HydrophobicContact CD2-CG1 4.4Å; F116-V120 HydrophobicContact CD2-CG2 3.7Å; F116-V120 HydrophobicContact CE1-CB 4.45Å; F116-V120 HydrophobicContact CE1-CG1 4.34Å; F116-V120 HydrophobicContact CE2-CB 3.76Å; F116-V120 HydrophobicContact CE2-CG1 3.62Å; F116-V120 HydrophobicContact CE2-CG2 3.64Å; F116-V120 HydrophobicContact CG-CG2 4.48Å; F116-V120 HydrophobicContact CZ-CB 3.98Å; F116-V120 HydrophobicContact CZ-CG1 3.58Å; F116-V120 HydrophobicContact CZ-CG2 4.37Å; F116-V120 VanDerWaalsContact O-CB 3.26Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 PolarHBondContact O-N 2.85Å; F116-Y141 HydrophobicContact CB-CE1 4.27Å; F116-Y141 HydrophobicContact CB-CE2 4.39Å; F116-Y141 AromaticContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD2 4.34Å; F116-Y141 AromaticContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE2 4.43Å; F116-Y141 HydrophobicContact CD2-CG 4.02Å; F116-Y141 HydrophobicContact CE2-CD1 4.41Å; F116-Y141 PolarHBondContact N-OH 2.88Å; F116-F143 HydrophobicContact CD2-CE1 4.44Å; F116-F143 HydrophobicContact CD2-CZ 4.25Å; F116-F143 HydrophobicContact CE2-CZ 4.4Å; F116-F151 HydrophobicContact CE2-CD1 4.47Å; F116-F151 HydrophobicContact CE2-CD2 4.09Å; F116-F151 HydrophobicContact CE2-CE1 4.03Å; F116-F151 AromaticContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CG 4.5Å; F116-F151 AromaticContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CZ-CD1 4.31Å; F116-F151 AromaticContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE2 4.37Å; F116-F151 HydrophobicContact CZ-CZ 4Å
117K93.2Very high90.9Very high43 Ų4363 Ų6319%0.18731%0.31CS..Hα-helixtrans-59.7-35.8177.9-176.7179.467.1-173.50112.8L56 N57 I113 R114 D115 V121L56-K117 HydrophobicContact CB-CD 3.75Å; L56-K117 HydrophobicContact CD1-CD 3.92Å; N57-K117 PolarHBondContact OD1-NZ 2.9Å; I113-K117 VanDerWaalsContact O-CB 3.27Å; I113-K117 WeakPolarHBondContact O-CB 3.42Å; I113-K117 PolarHBondContact O-N 2.9Å; R114-K117 PolarHBondContact O-N 3.32Å; D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.37Å; K117-V121 HydrophobicContact CB-CG2 4.39Å; K117-V121 HydrophobicContact CG-CB 4.1Å; K117-V121 HydrophobicContact CG-CG2 4.12Å; K117-V121 WeakPolarHBondContact O-CB 3.5Å; K117-V121 PolarHBondContact O-N 3.36Å
118K92.5Very high89.9Confident182 Ų18259.4 Ų59.479%0.79130%0.299SS*.Hα-helixtrans-70.3-35.2179.6-176.2-178.1174.7-173.40112.2R114 D115 F116R114-K118 PolarHBondContact O-N 2.98Å; D115-K118 WeakPolarHBondContact O-CB 3.34Å; D115-K118 PolarHBondContact O-N 3.4Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.15Å
119R92.6Very high89Confident147 Ų14762.4 Ų62.456%0.55533%0.329SS*.Hα-helixtrans-94.4-27-175-67.8-172.4-178.2163.1-5.6114.4D115 F116 Y141D115-R119 PolarHBondContact O-N 3.46Å; D115-R119 IonicContact OD1-CZ 3.87Å; D115-R119 IonicContact OD1-NE 3.6Å; D115-R119 IonicContact OD2-CZ 3.58Å; D115-R119 IonicContact OD2-NE 3.77Å; D115-R119 IonicContact OD2-NH1 3.71Å; D115-R119 PolarHBondContact OD2-NH1 3.28Å; F116-R119 PolarHBondContact O-N 3.3Å; R119-Y141 HydrophobicContact CB-CD2 4.05Å; R119-Y141 HydrophobicContact CB-CE2 4.15Å; R119-Y141 HydrophobicContact CG-CE2 4.45Å
120V92.7Very high88.1Confident2 Ų266.5 Ų66.51%0.01235%0.35CS..Hα-helixtrans-115.5-32.8-166.7179.60000112.5F116 Y141 F151 R155F116-V120 HydrophobicContact CD2-CB 4.04Å; F116-V120 HydrophobicContact CD2-CG1 4.4Å; F116-V120 HydrophobicContact CD2-CG2 3.7Å; F116-V120 HydrophobicContact CE1-CB 4.45Å; F116-V120 HydrophobicContact CE1-CG1 4.34Å; F116-V120 HydrophobicContact CE2-CB 3.76Å; F116-V120 HydrophobicContact CE2-CG1 3.62Å; F116-V120 HydrophobicContact CE2-CG2 3.64Å; F116-V120 HydrophobicContact CG-CG2 4.48Å; F116-V120 HydrophobicContact CZ-CB 3.98Å; F116-V120 HydrophobicContact CZ-CG1 3.58Å; F116-V120 HydrophobicContact CZ-CG2 4.37Å; F116-V120 VanDerWaalsContact O-CB 3.26Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 PolarHBondContact O-N 2.85Å; V120-Y141 HydrophobicContact CG2-CD2 3.62Å; V120-Y141 HydrophobicContact CG2-CE2 4.49Å; V120-Y141 HydrophobicContact CG2-CG 3.79Å; V120-F151 HydrophobicContact CG1-CB 3.85Å; V120-F151 HydrophobicContact CG1-CD1 4.46Å; V120-F151 HydrophobicContact CG1-CD2 4.03Å; V120-F151 HydrophobicContact CG1-CG 3.85Å; V120-F151 HydrophobicContact CG2-CD2 4.49Å; V120-R155 HydrophobicContact CG1-CG 3.53Å; V120-R155 WeakPolarHBondContact O-CB 3.49Å; V120-R155 WeakPolarHBondContact O-CD 3.38Å; V120-R155 WeakPolarHBondContact O-CG 3.39Å
121V92Very high87.2Confident25 Ų2567.3 Ų67.315%0.15235%0.351CS..  trans-88120.6-175178.10000110.3K117 V158 A159K117-V121 HydrophobicContact CB-CG2 4.39Å; K117-V121 HydrophobicContact CG-CB 4.1Å; K117-V121 HydrophobicContact CG-CG2 4.12Å; K117-V121 WeakPolarHBondContact O-CB 3.5Å; K117-V121 PolarHBondContact O-N 3.36Å; V121-V158 HydrophobicContact CG1-CB 4.24Å; V121-V158 HydrophobicContact CG1-CG1 4.11Å; V121-V158 HydrophobicContact CG2-CB 4.24Å; V121-V158 HydrophobicContact CG2-CG1 4Å; V121-A159 HydrophobicContact CG1-CB 3.87Å
122E89.8Confident86.5Confident79 Ų7967.6 Ų67.637%0.36936%0.357SS..  trans-131156.1-179.6-67177.2178.100109.8Y156 A159E122-Y156 HydrophobicContact CB-CD1 4.17Å; E122-Y156 HydrophobicContact CB-CE1 3.77Å; E122-Y156 WeakPolarHBondContact O-CA 3.38Å; E122-Y156 WeakPolarHBondContact O-CD1 3.43Å; E122-A159 WeakPolarHBondContact O-CB 3.35Å
123V87.3Confident85.7Confident82 Ų8274.8 Ų74.850%0.49739%0.388SS..  trans-101.7130.7174.8177.60000106.9A159 F163V123-A159 HydrophobicContact CB-CB 4.45Å; V123-A159 HydrophobicContact CG2-CB 3.67Å; V123-F163 HydrophobicContact CG1-CE2 3.8Å; V123-F163 HydrophobicContact CG1-CZ 4.32Å; V123-F163 HydrophobicContact CG2-CE2 4.11Å
124S84.6Confident85.1Confident16 Ų1682 Ų8211%0.11243%0.426CS..  trans-77.6146.1175.3570000110.1E126 M131S124-E126 VanDerWaalsContact C-N 3.31Å; S124-E126 VanDerWaalsContact CB-O 3.29Å; S124-E126 WeakPolarHBondContact CB-O 3.37Å; S124-E126 PolarHBondContact OG-O 3.09Å; S124-M131 VanDerWaalsContact CB-CE 3.42Å; S124-M131 WeakPolarHBondContact OG-CE 3.42Å
125T84.1Confident84.6Confident148 Ų14884.5 Ų84.591%0.90845%0.446SS*.SBendtrans-77.1-26169.745.60000111.5
126E82.1Confident84.2Confident119 Ų11982.9 Ų82.956%0.55644%0.438SS*.SBendtrans-104152-179.1-66.2179.7-175.500111.2S124 M128S124-E126 VanDerWaalsContact C-N 3.31Å; S124-E126 VanDerWaalsContact CB-O 3.29Å; S124-E126 WeakPolarHBondContact CB-O 3.37Å; S124-E126 PolarHBondContact OG-O 3.09Å; E126-M128 PolarHBondContact O-N 3.03Å
127P79.2Confident83.9Confident75 Ų7590.9 Ų90.949%0.48748%0.475SS..  trans-61.6133.6176.227.2-35.8000111A129 D130P127-A129 PolarHBondContact O-N 3.13Å; P127-D130 HydrophobicContact CG-CB 4.33Å; P127-D130 WeakPolarHBondContact CG-OD2 3.44Å; P127-D130 PolarHBondContact O-N 3.02Å
128M73.7Confident83.8Confident56 Ų5694.6 Ų94.628%0.27649%0.493SS..G310 helixtrans-59.9-22.6-176.7-168-172.4176.500114.2E126 D130 M131 I153 R157 E160E126-M128 PolarHBondContact O-N 3.03Å; M128-D130 VanDerWaalsContact C-N 3.25Å; M128-D130 PolarHBondContact O-N 3.07Å; M128-M131 HydrophobicContact CB-CE 4.1Å; M128-M131 HydrophobicContact CG-CE 4.12Å; M128-M131 PolarHBondContact O-N 2.9Å; M128-I153 HydrophobicContact CE-CD1 4.11Å; M128-I153 HydrophobicContact CE-CG1 3.79Å; M128-R157 HydrophobicContact CE-CB 3.75Å; M128-R157 HydrophobicContact CE-CG 4.15Å; M128-R157 HydrophobicContact SD-CB 4.13Å; M128-R157 HydrophobicContact SD-CG 4.35Å; M128-E160 HydrophobicContact CB-CG 4.49Å
129A74.3Confident83.8Confident95 Ų9588.7 Ų88.779%0.78547%0.47SS*.G310 helixtrans-65.4-29.5177.800000113P127P127-A129 PolarHBondContact O-N 3.13Å
130D73Confident83.8Confident119 Ų11985.6 Ų85.664%0.63647%0.469SS*.G310 helixtrans-94.8-6.1-174.6-60.4-25.7000112.3P127 M128 P132P127-D130 HydrophobicContact CG-CB 4.33Å; P127-D130 WeakPolarHBondContact CG-OD2 3.44Å; P127-D130 PolarHBondContact O-N 3.02Å; M128-D130 VanDerWaalsContact C-N 3.25Å; M128-D130 PolarHBondContact O-N 3.07Å; D130-P132 WeakPolarHBondContact O-CD 3.26Å
131M76.1Confident83.8Confident30 Ų3085.8 Ų85.815%0.14847%0.469CS..  trans-87107.5178.3-70.5-167.8-73.800110.9S124 M128 Y156S124-M131 VanDerWaalsContact CB-CE 3.42Å; S124-M131 WeakPolarHBondContact OG-CE 3.42Å; M128-M131 HydrophobicContact CB-CE 4.1Å; M128-M131 HydrophobicContact CG-CE 4.12Å; M128-M131 PolarHBondContact O-N 2.9Å; M131-Y156 HydrophobicContact CE-CD2 3.95Å; M131-Y156 HydrophobicContact CE-CG 4.14Å; M131-Y156 HydrophobicContact SD-CD2 4.41Å; M131-Y156 HydrophobicContact SD-CE2 4.46Å
132P77.4Confident83.8Confident64 Ų6489.1 Ų89.142%0.41648%0.483SS..  trans-65.1140.9171.729.1-34.8000109.7D130 D134 D135D130-P132 WeakPolarHBondContact O-CD 3.26Å; P132-D134 PolarHBondContact O-N 3.26Å; P132-D135 HydrophobicContact CG-CB 3.87Å; P132-D135 VanDerWaalsContact CG-CG 3.45Å; P132-D135 WeakPolarHBondContact CG-OD2 3.45Å; P132-D135 PolarHBondContact O-N 2.71Å
133K79.1Confident84Confident156 Ų15685.7 Ų85.768%0.67847%0.467SS*.THydrogen-bonded Turntrans-60.5-29.7-176.4-67.2-177.7-179.2170.50113.1I153K133-I153 HydrophobicContact CG-CD1 4.05Å; K133-I153 HydrophobicContact CG-CG2 4.23Å
134D80.7Confident84.1Confident153 Ų15384 Ų8482%0.81846%0.457SS*.THydrogen-bonded Turntrans-79.9-23.3-172.2-57.6-34.2000112.5P132 V136P132-D134 PolarHBondContact O-N 3.26Å; D134-V136 VanDerWaalsContact C-N 3.32Å
135D83.9Confident84.3Confident130 Ų13083.3 Ų83.370%0.69545%0.453SS*.THydrogen-bonded Turntrans-82.5-13.6177.9-65.8-5.6000112.2P132 E137P132-D135 HydrophobicContact CG-CB 3.87Å; P132-D135 VanDerWaalsContact CG-CG 3.45Å; P132-D135 WeakPolarHBondContact CG-OD2 3.45Å; P132-D135 PolarHBondContact O-N 2.71Å; D135-E137 PolarHBondContact O-N 3.01Å
136V85.4Confident84.5Confident19 Ų1976.4 Ų76.412%0.11541%0.412CS..SBendtrans-86105.5-177.3-178.70000110.8D134 E138 R155 Y156D134-V136 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 2.83Å; V136-R155 VanDerWaalsContact CG1-NH2 3.31Å; V136-Y156 HydrophobicContact CG1-CE2 3.77Å
137E88.3Confident84.8Confident169 Ų16970.8 Ų70.879%0.7939%0.385SS*.PPolyproline II helixtrans-53.7120176.2-66.7-175.6176.200112.5D135 I139 R155D135-E137 PolarHBondContact O-N 3.01Å; E137-I139 PolarHBondContact O-N 3.49Å; E137-R155 PolarHBondContact O-NH2 3.49Å
138E91Very high85.5Confident121 Ų12168.7 Ų68.757%0.56537%0.371SS*.PPolyproline II helixtrans-71130.3178.7-58.6-169.3150.900112.7V136 N150 F151V136-E138 PolarHBondContact O-N 2.83Å; E138-N150 HydrophobicContact CB-CB 4.06Å; E138-N150 WeakPolarHBondContact OE2-CB 3.25Å; E138-N150 PolarHBondContact OE2-ND2 3.48Å; E138-F151 WeakPolarHBondContact CA-O 3.4Å
139I91.7Very high86.4Confident58 Ų5867.5 Ų67.530%0.29737%0.365SS..EExtended strand (participates in β ladder)trans-96.2124.7171.7-71.7178.1000110.3E137 F151E137-I139 PolarHBondContact O-N 3.49Å; I139-F151 PolarHBondContact N-O 3.23Å; I139-F151 PolarHBondContact O-N 3.34Å
140P92.7Very high87.2Confident81 Ų8166.7 Ų66.753%0.52635%0.347SS..EExtended strand (participates in β ladder)trans-75.2129.1171.129.9-32.6000110.6T148 N150P140-T148 HydrophobicContact CB-CG2 3.88Å; P140-N150 WeakPolarHBondContact CB-OD1 3.21Å
141Y94.1Very high88.2Confident6 Ų661.1 Ų61.12%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-116124.4169.1179.7-92.7000110.3D115 F116 R119 V120 F143 T148 H149D115-Y141 WeakPolarHBondContact OD2-CE2 3.26Å; D115-Y141 PolarHBondContact OD2-OH 2.68Å; F116-Y141 HydrophobicContact CB-CE1 4.27Å; F116-Y141 HydrophobicContact CB-CE2 4.39Å; F116-Y141 AromaticContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD2 4.34Å; F116-Y141 AromaticContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE2 4.43Å; F116-Y141 HydrophobicContact CD2-CG 4.02Å; F116-Y141 HydrophobicContact CE2-CD1 4.41Å; F116-Y141 PolarHBondContact N-OH 2.88Å; R119-Y141 HydrophobicContact CB-CD2 4.05Å; R119-Y141 HydrophobicContact CB-CE2 4.15Å; R119-Y141 HydrophobicContact CG-CE2 4.45Å; V120-Y141 HydrophobicContact CG2-CD2 3.62Å; V120-Y141 HydrophobicContact CG2-CE2 4.49Å; V120-Y141 HydrophobicContact CG2-CG 3.79Å; Y141-F143 HydrophobicContact CD1-CD1 4.13Å; Y141-F143 AromaticContact CD1-CD2 3.89Å; Y141-F143 HydrophobicContact CD1-CD2 3.89Å; Y141-F143 AromaticContact CD1-CE1 3.96Å; Y141-F143 HydrophobicContact CD1-CE1 3.96Å; Y141-F143 AromaticContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CG 4.08Å; Y141-F143 AromaticContact CD1-CZ 3.72Å; Y141-F143 HydrophobicContact CD1-CZ 3.72Å; Y141-F143 AromaticContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD2 4.16Å; Y141-F143 AromaticContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE2 4.19Å; Y141-F143 AromaticContact CE1-CG 3.85Å; Y141-F143 HydrophobicContact CE1-CG 3.85Å; Y141-F143 AromaticContact CE1-CZ 3.91Å; Y141-F143 HydrophobicContact CE1-CZ 3.91Å; Y141-T148 WeakPolarHBondContact O-CA 3.43Å; Y141-H149 PolarHBondContact N-O 2.81Å; Y141-H149 PolarHBondContact O-N 3.11Å
142Q91.3Very high88.8Confident96 Ų9660.2 Ų60.245%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-92.4120.2174.6-170.6178.317.100110.1
143F92.9Very high89.4Confident6 Ų658.6 Ų58.63%0.02630%0.303CS..  trans-78156.8174-70.3-89.1000110.9L64 I69 V112 F116 Y141 A145 G146 N147 H149 F151L64-F143 HydrophobicContact CD1-CE1 4.32Å; L64-F143 HydrophobicContact CD2-CE1 4.08Å; L64-F143 HydrophobicContact CD2-CZ 3.58Å; I69-F143 HydrophobicContact CD1-CE2 4.34Å; I69-F143 HydrophobicContact CG2-CD2 4.15Å; I69-F143 HydrophobicContact CG2-CE1 4.28Å; I69-F143 HydrophobicContact CG2-CE2 3.72Å; I69-F143 HydrophobicContact CG2-CZ 3.81Å; V112-F143 HydrophobicContact CG1-CD1 4.34Å; F116-F143 HydrophobicContact CD2-CE1 4.44Å; F116-F143 HydrophobicContact CD2-CZ 4.25Å; F116-F143 HydrophobicContact CE2-CZ 4.4Å; Y141-F143 HydrophobicContact CD1-CD1 4.13Å; Y141-F143 AromaticContact CD1-CD2 3.89Å; Y141-F143 HydrophobicContact CD1-CD2 3.89Å; Y141-F143 AromaticContact CD1-CE1 3.96Å; Y141-F143 HydrophobicContact CD1-CE1 3.96Å; Y141-F143 AromaticContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CG 4.08Å; Y141-F143 AromaticContact CD1-CZ 3.72Å; Y141-F143 HydrophobicContact CD1-CZ 3.72Å; Y141-F143 AromaticContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD2 4.16Å; Y141-F143 AromaticContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE2 4.19Å; Y141-F143 AromaticContact CE1-CG 3.85Å; Y141-F143 HydrophobicContact CE1-CG 3.85Å; Y141-F143 AromaticContact CE1-CZ 3.91Å; Y141-F143 HydrophobicContact CE1-CZ 3.91Å; F143-A145 PolarHBondContact O-N 3.39Å; F143-G146 PolarHBondContact O-N 3.35Å; F143-N147 VanDerWaalsContact CB-OD1 3.27Å; F143-N147 WeakPolarHBondContact CB-OD1 3.16Å; F143-N147 WeakPolarHBondContact CD2-ND2 3.45Å; F143-N147 PolarHBondContact N-O 2.88Å; F143-H149 HydrophobicContact CE2-CB 4.38Å; F143-H149 AromaticContact CE2-CD2 3.83Å; F143-F151 HydrophobicContact CE2-CE2 4.4Å; F143-F151 HydrophobicContact CE2-CZ 4.36Å; F143-F151 HydrophobicContact CZ-CZ 4.26Å
144P90.7Very high89.8Confident46 Ų4653.7 Ų53.730%0.29928%0.283SS..THydrogen-bonded Turntrans-55.5-27.8177.4-26.935.2000114.2I77 V112 G146I77-P144 HydrophobicContact CD1-CB 3.76Å; V112-P144 HydrophobicContact CG1-CG 4.11Å; V112-P144 HydrophobicContact CG2-CG 4.02Å; P144-G146 PolarHBondContact O-N 3.2Å
145A88.8Confident90.2Very high3 Ų346.7 Ų46.73%0.02525%0.245CC..THydrogen-bonded Turntrans-74.5-4.6178.900000113.7I72 I77 P89 F91 F143I72-A145 HydrophobicContact CD1-CB 4.09Å; I77-A145 HydrophobicContact CD1-CB 3.93Å; I77-A145 HydrophobicContact CG1-CB 4.43Å; P89-A145 HydrophobicContact CB-CB 3.5Å; P89-A145 HydrophobicContact CG-CB 4.11Å; F91-A145 HydrophobicContact CD1-CB 4.06Å; F143-A145 PolarHBondContact O-N 3.39Å
146G87.7Confident90.5Very high3 Ų342.3 Ų42.33%0.03122%0.219CC..SBendtrans98.3-9.1175.200000115.1F143 P144F143-G146 PolarHBondContact O-N 3.35Å; P144-G146 PolarHBondContact O-N 3.2Å
147N89.7Confident90.5Very high0 Ų048.6 Ų48.60%024%0.241CC..  trans-78.1139.4175.160.8-53.4000111.6P89 F143 H149P89-N147 HydrophobicContact CB-CB 4.03Å; F143-N147 VanDerWaalsContact CB-OD1 3.27Å; F143-N147 WeakPolarHBondContact CB-OD1 3.16Å; F143-N147 WeakPolarHBondContact CD2-ND2 3.45Å; F143-N147 PolarHBondContact N-O 2.88Å; N147-H149 PolarHBondContact ND2-CD2 3.14Å; N147-H149 VanDerWaalsContact ND2-CD2 3.27Å; N147-H149 PolarHBondContact ND2-NE2 3.11Å; N147-H149 VanDerWaalsContact ND2-NE2 3.11Å
148T92.6Very high90.5Very high32 Ų3241 Ų4120%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-112.4132175.8-56.80000109.3P85 G86 P140 Y141P85-T148 WeakPolarHBondContact CA-O 3.35Å; G86-T148 PolarHBondContact N-O 3.3Å; P140-T148 HydrophobicContact CB-CG2 3.88Å; Y141-T148 WeakPolarHBondContact O-CA 3.43Å
149H92.3Very high90.2Very high31 Ų3135.3 Ų35.314%0.14418%0.179CC..EExtended strand (participates in β ladder)trans-128.7140.5173.2-69.4-89.9000110.1I69 Y141 F143 N147 F151I69-H149 HydrophobicContact CD1-CB 3.96Å; Y141-H149 PolarHBondContact N-O 2.81Å; Y141-H149 PolarHBondContact O-N 3.11Å; F143-H149 HydrophobicContact CE2-CB 4.38Å; F143-H149 AromaticContact CE2-CD2 3.83Å; N147-H149 PolarHBondContact ND2-CD2 3.14Å; N147-H149 VanDerWaalsContact ND2-CD2 3.27Å; N147-H149 PolarHBondContact ND2-NE2 3.11Å; N147-H149 VanDerWaalsContact ND2-NE2 3.11Å; H149-F151 HydrophobicContact CB-CE2 3.8Å; H149-F151 HydrophobicContact CB-CZ 3.97Å; H149-F151 WeakPolarHBondContact O-CD2 3.48Å; H149-F151 WeakPolarHBondContact O-CE2 3.45Å
150N92.5Very high89.9Confident77 Ų7734.3 Ų34.341%0.41217%0.174SC..EExtended strand (participates in β ladder)trans-87.9139175.1-68.21.5000110.1E138 P140E138-N150 HydrophobicContact CB-CB 4.06Å; E138-N150 WeakPolarHBondContact OE2-CB 3.25Å; E138-N150 PolarHBondContact OE2-ND2 3.48Å; P140-N150 WeakPolarHBondContact CB-OD1 3.21Å
151F92.6Very high89.4Confident3 Ų330.8 Ų30.81%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-125.5120.1176.8-63-85.6000109.2L63 L64 I69 F116 V120 E138 I139 F143 H149 R155L63-F151 HydrophobicContact CD2-CD1 4.11Å; L63-F151 HydrophobicContact CD2-CE1 3.65Å; L64-F151 HydrophobicContact CD2-CE1 4.41Å; L64-F151 HydrophobicContact CD2-CZ 4.11Å; I69-F151 HydrophobicContact CD1-CE1 4.37Å; I69-F151 HydrophobicContact CD1-CZ 3.91Å; F116-F151 HydrophobicContact CE2-CD1 4.47Å; F116-F151 HydrophobicContact CE2-CD2 4.09Å; F116-F151 HydrophobicContact CE2-CE1 4.03Å; F116-F151 AromaticContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CG 4.5Å; F116-F151 AromaticContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CZ-CD1 4.31Å; F116-F151 AromaticContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE2 4.37Å; F116-F151 HydrophobicContact CZ-CZ 4Å; V120-F151 HydrophobicContact CG1-CB 3.85Å; V120-F151 HydrophobicContact CG1-CD1 4.46Å; V120-F151 HydrophobicContact CG1-CD2 4.03Å; V120-F151 HydrophobicContact CG1-CG 3.85Å; V120-F151 HydrophobicContact CG2-CD2 4.49Å; E138-F151 WeakPolarHBondContact CA-O 3.4Å; I139-F151 PolarHBondContact N-O 3.23Å; I139-F151 PolarHBondContact O-N 3.34Å; F143-F151 HydrophobicContact CE2-CE2 4.4Å; F143-F151 HydrophobicContact CE2-CZ 4.36Å; F143-F151 HydrophobicContact CZ-CZ 4.26Å; H149-F151 HydrophobicContact CB-CE2 3.8Å; H149-F151 HydrophobicContact CB-CZ 3.97Å; H149-F151 WeakPolarHBondContact O-CD2 3.48Å; H149-F151 WeakPolarHBondContact O-CE2 3.45Å; F151-R155 HydrophobicContact CB-CG 3.71Å; F151-R155 WeakPolarHBondContact O-CD 3.45Å; F151-R155 PolarHBondContact O-NE 3.5Å; F151-R155 PolarHBondContact O-NH2 2.99Å
152G89.8Confident88.7Confident11 Ų1131.5 Ų31.511%0.11316%0.155CC..SBendtrans-99-119.417500000111.6E154 R155G152-E154 PolarHBondContact O-N 2.79Å; G152-E154 VanDerWaalsContact O-N 3.11Å; G152-R155 WeakPolarHBondContact O-CB 3.4Å; G152-R155 WeakPolarHBondContact O-CG 3.22Å; G152-R155 PolarHBondContact O-N 2.72Å; G152-R155 PolarHBondContact O-NE 2.67Å; G152-R155 PolarHBondContact O-NH2 3.46Å
153I89.1Confident88.1Confident29 Ų2931.1 Ų31.115%0.14915%0.152CC..THydrogen-bonded Turntrans-58.5-24.7-176.8-158.2171.1000115.1M128 K133 R155 Y156M128-I153 HydrophobicContact CE-CD1 4.11Å; M128-I153 HydrophobicContact CE-CG1 3.79Å; K133-I153 HydrophobicContact CG-CD1 4.05Å; K133-I153 HydrophobicContact CG-CG2 4.23Å; I153-R155 PolarHBondContact O-N 2.74Å; I153-R155 VanDerWaalsContact O-N 3.1Å; I153-Y156 PolarHBondContact O-N 2.92Å
154E88Confident87.2Confident53 Ų5334.5 Ų34.525%0.24817%0.171CC..Hα-helixtrans-62.7-21.8-176.6-60.1178.6-179.300113.3L63 K67 G152 Y156 R157L63-E154 HydrophobicContact CD1-CB 3.95Å; K67-E154 WeakPolarHBondContact CE-OE1 3.32Å; K67-E154 WeakPolarHBondContact CE-OE2 3.36Å; K67-E154 IonicContact NZ-OE1 2.74Å; K67-E154 PolarHBondContact NZ-OE1 3.33Å; K67-E154 IonicContact NZ-OE2 2.68Å; G152-E154 PolarHBondContact O-N 2.79Å; G152-E154 VanDerWaalsContact O-N 3.11Å; E154-Y156 VanDerWaalsContact C-N 3.35Å; E154-R157 WeakPolarHBondContact O-CB 3.4Å; E154-R157 PolarHBondContact O-N 3.37Å
155R89.2Confident85.8Confident7 Ų737.6 Ų37.63%0.02618%0.184CC..Hα-helixtrans-59-44.8176-68.9-176.1-73.2165.5-7.3112.4V120 V136 E137 F151 G152 I153V120-R155 HydrophobicContact CG1-CG 3.53Å; V120-R155 WeakPolarHBondContact O-CB 3.49Å; V120-R155 WeakPolarHBondContact O-CD 3.38Å; V120-R155 WeakPolarHBondContact O-CG 3.39Å; V136-R155 VanDerWaalsContact CG1-NH2 3.31Å; E137-R155 PolarHBondContact O-NH2 3.49Å; F151-R155 HydrophobicContact CB-CG 3.71Å; F151-R155 WeakPolarHBondContact O-CD 3.45Å; F151-R155 PolarHBondContact O-NE 3.5Å; F151-R155 PolarHBondContact O-NH2 2.99Å; G152-R155 WeakPolarHBondContact O-CB 3.4Å; G152-R155 WeakPolarHBondContact O-CG 3.22Å; G152-R155 PolarHBondContact O-N 2.72Å; G152-R155 PolarHBondContact O-NE 2.67Å; G152-R155 PolarHBondContact O-NH2 3.46Å; I153-R155 PolarHBondContact O-N 2.74Å; I153-R155 VanDerWaalsContact O-N 3.1Å
156Y89.7Confident84.2Confident37 Ų3743.7 Ų43.715%0.14521%0.212CC..Hα-helixtrans-71.3-39179.5-56.3-62.5000111.4E122 M131 V136 I153 E154 V158 A159 E160E122-Y156 HydrophobicContact CB-CD1 4.17Å; E122-Y156 HydrophobicContact CB-CE1 3.77Å; E122-Y156 WeakPolarHBondContact O-CA 3.38Å; E122-Y156 WeakPolarHBondContact O-CD1 3.43Å; M131-Y156 HydrophobicContact CE-CD2 3.95Å; M131-Y156 HydrophobicContact CE-CG 4.14Å; M131-Y156 HydrophobicContact SD-CD2 4.41Å; M131-Y156 HydrophobicContact SD-CE2 4.46Å; V136-Y156 HydrophobicContact CG1-CE2 3.77Å; I153-Y156 PolarHBondContact O-N 2.92Å; E154-Y156 VanDerWaalsContact C-N 3.35Å; Y156-V158 PolarHBondContact O-N 3.13Å; Y156-A159 PolarHBondContact O-N 3.34Å; Y156-E160 WeakPolarHBondContact O-CG 3.35Å; Y156-E160 PolarHBondContact O-N 3.02Å
157R86.1Confident82.6Confident152 Ų15248.9 Ų48.957%0.57424%0.235SC*.Hα-helixtrans-52.3-37.4-179.2-164.9-178.7-176.9-170.33113.5M128 E154M128-R157 HydrophobicContact CE-CB 3.75Å; M128-R157 HydrophobicContact CE-CG 4.15Å; M128-R157 HydrophobicContact SD-CB 4.13Å; M128-R157 HydrophobicContact SD-CG 4.35Å; E154-R157 WeakPolarHBondContact O-CB 3.4Å; E154-R157 PolarHBondContact O-N 3.37Å
158V87.9Confident80.9Confident8 Ų851.8 Ų51.85%0.04825%0.248CC..Hα-helixtrans-68.9-37.5179.9176.80000111.7L56 L59 L63 V121 Y156L56-V158 HydrophobicContact CD2-CG1 3.99Å; L56-V158 VanDerWaalsContact CD2-O 3.29Å; L56-V158 WeakPolarHBondContact CD2-O 3.44Å; L59-V158 HydrophobicContact CB-CG1 3.86Å; L63-V158 HydrophobicContact CD1-CG2 3.5Å; V121-V158 HydrophobicContact CG1-CB 4.24Å; V121-V158 HydrophobicContact CG1-CG1 4.11Å; V121-V158 HydrophobicContact CG2-CB 4.24Å; V121-V158 HydrophobicContact CG2-CG1 4Å; Y156-V158 PolarHBondContact O-N 3.13Å
159A86.1Confident78.7Confident3 Ų356.3 Ų56.33%0.02527%0.265CS..Hα-helixtrans-81.9-37.7-17800000112.1V121 E122 V123 Y156 A161 L162V121-A159 HydrophobicContact CG1-CB 3.87Å; E122-A159 WeakPolarHBondContact O-CB 3.35Å; V123-A159 HydrophobicContact CB-CB 4.45Å; V123-A159 HydrophobicContact CG2-CB 3.67Å; Y156-A159 PolarHBondContact O-N 3.34Å; A159-A161 PolarHBondContact O-N 2.88Å; A159-L162 WeakPolarHBondContact O-CB 3.43Å; A159-L162 PolarHBondContact O-N 2.81Å
160E84.2Confident76.6Confident37 Ų3758.7 Ų58.717%0.17328%0.281CS..Hα-helixtrans-58.6-34177-72.6-47.9115.100112.8M128 Y156 L162 F163 D164M128-E160 HydrophobicContact CB-CG 4.49Å; Y156-E160 WeakPolarHBondContact O-CG 3.35Å; Y156-E160 PolarHBondContact O-N 3.02Å; E160-L162 PolarHBondContact O-N 3.24Å; E160-F163 WeakPolarHBondContact O-CA 3.44Å; E160-F163 PolarHBondContact O-N 3.27Å; E160-D164 PolarHBondContact O-N 2.79Å; E160-D164 VanDerWaalsContact O-N 3.11Å
161A82.2Confident74.4Confident7 Ų760.8 Ų60.86%0.05828%0.283CS..THydrogen-bonded Turntrans-58.7-14.6174.100000114M55 L59 A159 F167M55-A161 HydrophobicContact CE-CB 4.38Å; M55-A161 WeakPolarHBondContact CE-O 3.05Å; L59-A161 HydrophobicContact CD1-CB 3.48Å; L59-A161 VanDerWaalsContact CD1-CB 3.48Å; A159-A161 PolarHBondContact O-N 2.88Å; A161-F167 HydrophobicContact CB-CE2 4.39Å
162L79.5Confident71.9Confident20 Ų2067.7 Ų67.711%0.10531%0.314CS..THydrogen-bonded Turntrans-77-21.7171.3-72.7174.5000113.9R37 A51 M55 L56 A159 E160 H168R37-L162 PolarHBondContact NH1-O 3.01Å; R37-L162 PolarHBondContact NH2-O 2.89Å; A51-L162 HydrophobicContact CB-CD2 4.48Å; M55-L162 HydrophobicContact CE-CD2 3.55Å; M55-L162 HydrophobicContact CE-CG 4.13Å; L56-L162 HydrophobicContact CD1-CD1 3.86Å; L56-L162 HydrophobicContact CD2-CD1 3.66Å; L56-L162 HydrophobicContact CD2-CD2 4.32Å; L56-L162 HydrophobicContact CD2-CG 3.8Å; L56-L162 HydrophobicContact CG-CD1 3.88Å; L56-L162 HydrophobicContact CG-CD2 4.28Å; L56-L162 HydrophobicContact CG-CG 4.22Å; A159-L162 WeakPolarHBondContact O-CB 3.43Å; A159-L162 PolarHBondContact O-N 2.81Å; E160-L162 PolarHBondContact O-N 3.24Å; L162-H168 PolarHBondContact O-NE2 3.09Å
163F79.3Confident69.5Low89 Ų8972.9 Ų72.939%0.3934%0.338SS..THydrogen-bonded Turntrans-105.4-22-175.7-59.5-77.4000112.7V123 E160 D165V123-F163 HydrophobicContact CG1-CE2 3.8Å; V123-F163 HydrophobicContact CG1-CZ 4.32Å; V123-F163 HydrophobicContact CG2-CE2 4.11Å; E160-F163 WeakPolarHBondContact O-CA 3.44Å; E160-F163 PolarHBondContact O-N 3.27Å; F163-D165 PolarHBondContact O-N 2.97Å; F163-D165 VanDerWaalsContact O-N 3.12Å
164D73.6Confident67.1Low77 Ų7778.5 Ų78.541%0.41236%0.362SS..  trans-57.6114.8173.8-78.6-24.1000112.8E160 E166 F167 H168E160-D164 PolarHBondContact O-N 2.79Å; E160-D164 VanDerWaalsContact O-N 3.11Å; D164-E166 PolarHBondContact O-N 3.09Å; D164-F167 HydrophobicContact CB-CD2 3.82Å; D164-F167 HydrophobicContact CB-CE2 4.49Å; D164-F167 PolarHBondContact O-N 3.36Å; D164-H168 PolarHBondContact O-CD2 2.87Å
165D60.5Low64.9Low110 Ų11082.7 Ų82.759%0.58838%0.375SS*.Hα-helixtrans-64.7-27.2178.5-84.5-23.8000113F163 F167 H168 K169F163-D165 PolarHBondContact O-N 2.97Å; F163-D165 VanDerWaalsContact O-N 3.12Å; D165-F167 VanDerWaalsContact C-N 3.29Å; D165-F167 PolarHBondContact O-N 3.11Å; D165-H168 WeakPolarHBondContact O-CA 3.42Å; D165-H168 PolarHBondContact O-N 3.14Å; D165-K169 WeakPolarHBondContact O-CG 3.34Å; D165-K169 PolarHBondContact O-N 2.73Å
166E56Low62.5Low131 Ų13190.3 Ų90.361%0.61241%0.409SS*.Hα-helixtrans-53-45.8174.7-72-77.3124.900111.2D164 H168 K169 V170D164-E166 PolarHBondContact O-N 3.09Å; E166-H168 PolarHBondContact O-N 2.94Å; E166-K169 PolarHBondContact O-N 2.85Å; E166-K169 VanDerWaalsContact O-N 3.16Å; E166-V170 WeakPolarHBondContact O-CG2 3.47Å; E166-V170 PolarHBondContact O-N 3.21Å
167F53.6Low60Low113 Ų11394.4 Ų94.450%0.49643%0.428SS..Hα-helixtrans-66.4-26.9178.6-80.9-81.3000113A161 D164 D165A161-F167 HydrophobicContact CB-CE2 4.39Å; D164-F167 HydrophobicContact CB-CD2 3.82Å; D164-F167 HydrophobicContact CB-CE2 4.49Å; D164-F167 PolarHBondContact O-N 3.36Å; D165-F167 VanDerWaalsContact C-N 3.29Å; D165-F167 PolarHBondContact O-N 3.11Å
168H54.2Low57.8Low60 Ų6089.9 Ų89.928%0.27842%0.42SS..Hα-helixtrans-82.2-30.4175.8-62.1-65.3000112.1L162 D164 D165 E166L162-H168 PolarHBondContact O-NE2 3.09Å; D164-H168 PolarHBondContact O-CD2 2.87Å; D165-H168 WeakPolarHBondContact O-CA 3.42Å; D165-H168 PolarHBondContact O-N 3.14Å; E166-H168 PolarHBondContact O-N 2.94Å
169K47.6Very low55.5Low127 Ų12798.8 Ų98.855%0.55246%0.458SS*.Hα-helixtrans-75.2-40.4177.5-72.3176.1-173171.10113D165 E166 R171 K172D165-K169 WeakPolarHBondContact O-CG 3.34Å; D165-K169 PolarHBondContact O-N 2.73Å; E166-K169 PolarHBondContact O-N 2.85Å; E166-K169 VanDerWaalsContact O-N 3.16Å; K169-R171 PolarHBondContact O-N 2.73Å; K169-R171 VanDerWaalsContact O-N 3.11Å; K169-K172 WeakPolarHBondContact O-CB 3.38Å; K169-K172 PolarHBondContact O-N 3.36Å
170V46.2Very low53.7Low81 Ų81104.1 Ų104.149%0.49149%0.489SS..Hα-helixtrans-60.7-26.5179.3175.30000112.2E166 K172 L173 F174E166-V170 WeakPolarHBondContact O-CG2 3.47Å; E166-V170 PolarHBondContact O-N 3.21Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 3.33Å; V170-L173 WeakPolarHBondContact O-CB 3.33Å; V170-L173 PolarHBondContact O-N 3.44Å; V170-L173 VanDerWaalsContact O-N 3.11Å; V170-F174 PolarHBondContact O-N 3.35Å
171R47Very low51.3Low121 Ų121107.7 Ų107.746%0.45751%0.509SS..Hα-helixtrans-70.6-15.4172.8-113.4-177.9165.7136.5-4.4114.8K169 R175K169-R171 PolarHBondContact O-N 2.73Å; K169-R171 VanDerWaalsContact O-N 3.11Å; R171-R175 PolarHBondContact O-N 3.35Å; R171-R175 PolarHBondContact O-NE 3.02Å
172K40.5Very low49Very low149 Ų149116.9 Ų116.965%0.64855%0.551SS**Hα-helixtrans-75.4-37.1166.6-73.9-175.3176.3-179.60110.9K169 V170 R175K169-K172 WeakPolarHBondContact O-CB 3.38Å; K169-K172 PolarHBondContact O-N 3.36Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 3.33Å; K172-R175 WeakPolarHBondContact O-CB 3.49Å; K172-R175 PolarHBondContact O-N 3.18Å
173L38.6Very low46.9Very low120 Ų120120.4 Ų120.463%0.62857%0.573SS**Hα-helixtrans-69.3-40.2175.2-12887.6000112V170 R175 F176 F177V170-L173 WeakPolarHBondContact O-CB 3.33Å; V170-L173 PolarHBondContact O-N 3.44Å; V170-L173 VanDerWaalsContact O-N 3.11Å; L173-R175 PolarHBondContact O-N 3.3Å; L173-F176 VanDerWaalsContact O-CB 3.25Å; L173-F176 WeakPolarHBondContact O-CB 3.49Å; L173-F176 PolarHBondContact O-N 3.39Å; L173-F177 PolarHBondContact O-N 3.11Å
174F39.9Very low44.4Very low146 Ų146125 Ų12564%0.6459%0.593SS**Hα-helixtrans-65.4-23.7174.3-112.3-90000113.4V170 F176 F177 S178V170-F174 PolarHBondContact O-N 3.35Å; F174-F176 VanDerWaalsContact C-N 3.28Å; F174-F177 PolarHBondContact O-N 3.18Å; F174-S178 WeakPolarHBondContact O-CB 3.41Å; F174-S178 PolarHBondContact O-N 2.93Å
175R41.4Very low42.4Very low142 Ų142129.4 Ų129.454%0.53661%0.611SS.*Hα-helixtrans-70.2-24.1170.6-96.6-176.9-84.5172.7-10.3113R171 K172 L173R171-R175 PolarHBondContact O-N 3.35Å; R171-R175 PolarHBondContact O-NE 3.02Å; K172-R175 WeakPolarHBondContact O-CB 3.49Å; K172-R175 PolarHBondContact O-N 3.18Å; L173-R175 PolarHBondContact O-N 3.3Å
176F37.8Very low41Very low167 Ų167131.2 Ų131.273%0.73262%0.615SS**Hα-helixtrans-75.4-43173.1-157.3-96.9000110.7L173 F174L173-F176 VanDerWaalsContact O-CB 3.25Å; L173-F176 WeakPolarHBondContact O-CB 3.49Å; L173-F176 PolarHBondContact O-N 3.39Å; F174-F176 VanDerWaalsContact C-N 3.28Å
177F37.8Very low39.8Very low122 Ų122133.6 Ų133.654%0.53562%0.62SS.*Hα-helixtrans-76.2-27.1176.9-81.8-84.1000114.5L173 F174 K179 V180 L181L173-F177 PolarHBondContact O-N 3.11Å; F174-F177 PolarHBondContact O-N 3.18Å; F177-K179 PolarHBondContact O-N 3.48Å; F177-V180 WeakPolarHBondContact O-CA 3.46Å; F177-V180 WeakPolarHBondContact O-CB 3.47Å; F177-V180 PolarHBondContact O-N 2.83Å; F177-L181 PolarHBondContact O-N 3.49Å; F177-L181 VanDerWaalsContact O-N 3.07Å
178S39.9Very low38.7Very low58 Ų58137.3 Ų137.341%0.40663%0.632SS.*THydrogen-bonded Turntrans-69.1-12.3174.4-1790000113.8F174 V180F174-S178 WeakPolarHBondContact O-CB 3.41Å; F174-S178 PolarHBondContact O-N 2.93Å; S178-V180 VanDerWaalsContact C-N 3.31Å
179K39.9Very low37.8Very low195 Ų195140.9 Ų140.985%0.84864%0.644SS**THydrogen-bonded Turntrans-77.7-20.3165.7-83.2-175.5172.6-176.10112.4F177F177-K179 PolarHBondContact O-N 3.48Å
180V47.3Very low37.1Very low114 Ų114143.4 Ų143.469%0.69165%0.65SS**THydrogen-bonded Turntrans-94.7-27.6-178.4-1780000111.6F177 S178F177-V180 WeakPolarHBondContact O-CA 3.46Å; F177-V180 WeakPolarHBondContact O-CB 3.47Å; F177-V180 PolarHBondContact O-N 2.83Å; S178-V180 VanDerWaalsContact C-N 3.31Å
181L35.2Very low36.8Very low113 Ų113142.3 Ų142.359%0.59265%0.65SS**SBendtrans-110.2116.9169.2-83.7113.9000110.2F177 V183F177-L181 PolarHBondContact O-N 3.49Å; F177-L181 VanDerWaalsContact O-N 3.07Å; L181-V183 HydrophobicContact CB-CG2 4.46Å; L181-V183 PolarHBondContact O-N 3Å
182Q32.6Very low36.6Very low200 Ų200143.3 Ų143.394%0.93566%0.66SS**  trans-63.661.3177.3-69.8-167.8-17.200113.7K184Q182-K184 PolarHBondContact O-N 3.27Å
183V35.8Very low37.1Very low93 Ų93139.2 Ų139.256%0.56465%0.645SS**  trans-92.798.8169.7-176.10000107.7L181 E185L181-V183 HydrophobicContact CB-CG2 4.46Å; L181-V183 PolarHBondContact O-N 3Å; V183-E185 PolarHBondContact O-N 3.42Å
184K26.8Very low37.5Very low187 Ų187135.1 Ų135.181%0.81362%0.623SS**  trans-66.890.6173.9-78.5179.7174.91760110.6Q182Q182-K184 PolarHBondContact O-N 3.27Å
185E32.2Very low38Very low168 Ų168132.4 Ų132.479%0.78562%0.62SS**  trans-108.478.5157.6-73.1-166.617000109.5V183V183-E185 PolarHBondContact O-N 3.42Å
186H30.1Very low38.6Very low148 Ų148128.7 Ų128.769%0.68561%0.613SS**  trans-77.7129.7168.8-77.3-96.7000109.5
187Y30.7Very low39.2Very low181 Ų181122.9 Ų122.971%0.7160%0.596SS**  trans171.571.3140.3-77.7-57.8000108.7
188Y32.3Very low39.9Very low192 Ų192120.3 Ų120.375%0.75359%0.587SS**  trans-102.3115.9163.8-87.3-87.5000107.9
189Y35.3Very low40.6Very low134 Ų134118.9 Ų118.953%0.52558%0.582SS.*  trans-79.8125.3156.9-72.2-90.3000105.9D193Y189-D193 WeakPolarHBondContact CA-OD2 3.33Å; Y189-D193 HydrophobicContact CD1-CB 3.94Å
190R31.5Very low41.3Very low180 Ų180117.6 Ų117.668%0.67957%0.572SS**  trans-59.1150.7166.5-66.9-173.7-172.2-171.44.6107.9E192 D193R190-E192 PolarHBondContact O-N 3.44Å; R190-E192 VanDerWaalsContact O-N 3.09Å; R190-D193 WeakPolarHBondContact CB-OD2 3.03Å; R190-D193 PolarHBondContact N-OD2 3.33Å; R190-D193 WeakPolarHBondContact O-CB 3.48Å; R190-D193 PolarHBondContact O-N 3.14Å
191A40.1Very low41.6Very low59 Ų59114.8 Ų114.849%0.48856%0.557SS.*THydrogen-bonded Turntrans-55.4-27.5177.100000112.7P45 D193 P195P45-A191 HydrophobicContact CB-CB 3.68Å; A191-D193 VanDerWaalsContact C-N 3.35Å; A191-P195 WeakPolarHBondContact O-CD 3.21Å
192E42.5Very low42.4Very low141 Ų141111.5 Ų111.566%0.65954%0.54SS*.THydrogen-bonded Turntrans-71.3-24.4174.3-64.8162.2-141.200113.2R190 I194 P195 T196R190-E192 PolarHBondContact O-N 3.44Å; R190-E192 VanDerWaalsContact O-N 3.09Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 2.8Å; E192-P195 WeakPolarHBondContact O-CD 3.25Å; E192-T196 PolarHBondContact O-OG1 2.76Å; E192-T196 VanDerWaalsContact O-OG1 3.14Å
193D51.8Low43.5Very low64 Ų64106.2 Ų106.234%0.34252%0.518SS..Hα-helixtrans-78.2-18-176.5-60.2-30.3000112.6Y189 R190 A191 A197Y189-D193 WeakPolarHBondContact CA-OD2 3.33Å; Y189-D193 HydrophobicContact CD1-CB 3.94Å; R190-D193 WeakPolarHBondContact CB-OD2 3.03Å; R190-D193 PolarHBondContact N-OD2 3.33Å; R190-D193 WeakPolarHBondContact O-CB 3.48Å; R190-D193 PolarHBondContact O-N 3.14Å; A191-D193 VanDerWaalsContact C-N 3.35Å; D193-A197 WeakPolarHBondContact O-CA 3.4Å; D193-A197 WeakPolarHBondContact O-CB 3.34Å; D193-A197 PolarHBondContact O-N 2.88Å
194I47.5Very low44.4Very low34 Ų34110.8 Ų110.817%0.17453%0.531CS..Hα-helixtrans-76.8-48-174.4-56.3174.6000111.3V46 E192 T196 A197 I198V46-I194 HydrophobicContact CB-CD1 4.26Å; V46-I194 HydrophobicContact CG2-CD1 3.59Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 2.8Å; I194-T196 VanDerWaalsContact C-N 3.28Å; I194-T196 PolarHBondContact O-N 2.7Å; I194-A197 PolarHBondContact O-N 3.45Å; I194-I198 HydrophobicContact CG2-CD1 3.81Å; I194-I198 HydrophobicContact CG2-CG1 4.41Å; I194-I198 WeakPolarHBondContact O-CB 3.37Å; I194-I198 WeakPolarHBondContact O-CG1 3.27Å; I194-I198 PolarHBondContact O-N 2.96Å
195P48.7Very low45.5Very low88 Ų88104.2 Ų104.257%0.57150%0.504SS*.Hα-helixtrans-58.3-40.6170.4-22.132.5000112.1A191 E192 I198 G199A191-P195 WeakPolarHBondContact O-CD 3.21Å; E192-P195 WeakPolarHBondContact O-CD 3.25Å; P195-I198 PolarHBondContact O-N 3.18Å; P195-G199 PolarHBondContact O-N 3.47Å
196T55.1Low46.5Very low64 Ų64102 Ų10239%0.39350%0.498SS..Hα-helixtrans-69.4-37.6178.3-49.80000112.5E192 I194 R200E192-T196 PolarHBondContact O-OG1 2.76Å; E192-T196 VanDerWaalsContact O-OG1 3.14Å; I194-T196 VanDerWaalsContact C-N 3.28Å; I194-T196 PolarHBondContact O-N 2.7Å; T196-R200 WeakPolarHBondContact O-CB 3.33Å; T196-R200 VanDerWaalsContact O-CG 3.25Å; T196-R200 WeakPolarHBondContact O-CG 3.49Å; T196-R200 PolarHBondContact O-N 2.94Å
197A51.3Low47.8Very low45 Ų45103.1 Ų103.137%0.37250%0.501SS..Hα-helixtrans-70.3-37.9175.200000111.8D193 I194 S201D193-A197 WeakPolarHBondContact O-CA 3.4Å; D193-A197 WeakPolarHBondContact O-CB 3.34Å; D193-A197 PolarHBondContact O-N 2.88Å; I194-A197 PolarHBondContact O-N 3.45Å; A197-S201 WeakPolarHBondContact O-CB 3.46Å; A197-S201 PolarHBondContact O-N 3.14Å; A197-S201 PolarHBondContact O-OG 2.88Å; A197-S201 VanDerWaalsContact O-OG 3.14Å
198I52.5Low48.9Very low68 Ų68100.2 Ų100.235%0.34950%0.497SS..Hα-helixtrans-65.5-47.1173-68167.8000109.8I194 P195 R200 S201 L202I194-I198 HydrophobicContact CG2-CD1 3.81Å; I194-I198 HydrophobicContact CG2-CG1 4.41Å; I194-I198 WeakPolarHBondContact O-CB 3.37Å; I194-I198 WeakPolarHBondContact O-CG1 3.27Å; I194-I198 PolarHBondContact O-N 2.96Å; P195-I198 PolarHBondContact O-N 3.18Å; I198-R200 PolarHBondContact O-N 3.38Å; I198-S201 WeakPolarHBondContact CA-OG 3.48Å; I198-S201 PolarHBondContact O-N 3.31Å; I198-S201 PolarHBondContact O-OG 3.22Å; I198-L202 HydrophobicContact CG2-CD1 3.93Å; I198-L202 WeakPolarHBondContact O-CG 3.45Å; I198-L202 PolarHBondContact O-N 3.04Å
199G54.6Low49.9Very low29 Ų2996.3 Ų96.330%0.29949%0.486SS..Hα-helixtrans-56.7-49.2175.400000112.5P195 S201 L202 D203P195-G199 PolarHBondContact O-N 3.47Å; G199-S201 VanDerWaalsContact C-N 3.32Å; G199-S201 PolarHBondContact O-N 3.42Å; G199-L202 CarbonylContact O-C 3.53Å; G199-L202 WeakPolarHBondContact O-CB 3.34Å; G199-L202 PolarHBondContact O-N 3.18Å; G199-L202 VanDerWaalsContact O-N 3.09Å; G199-D203 PolarHBondContact O-N 3.12Å
200R54.1Low50.5Low168 Ų16893.7 Ų93.763%0.63448%0.475SS*.Hα-helixtrans-64.4-32.1176-73.5177.6-176.9156.62.2113.6T196 I198 L202 D203 F204T196-R200 WeakPolarHBondContact O-CB 3.33Å; T196-R200 VanDerWaalsContact O-CG 3.25Å; T196-R200 WeakPolarHBondContact O-CG 3.49Å; T196-R200 PolarHBondContact O-N 2.94Å; I198-R200 PolarHBondContact O-N 3.38Å; R200-L202 VanDerWaalsContact C-N 3.33Å; R200-D203 WeakPolarHBondContact CA-OD2 3.48Å; R200-D203 WeakPolarHBondContact O-CB 3.48Å; R200-D203 PolarHBondContact O-N 3.13Å; R200-F204 WeakPolarHBondContact O-CD2 3.35Å; R200-F204 WeakPolarHBondContact O-CE2 3.19Å
201S52.2Low51.3Low55 Ų5587.3 Ų87.339%0.38546%0.458SS..Hα-helixtrans-73.3-27.3174.262.80000112.9A197 I198 G199 D203A197-S201 WeakPolarHBondContact O-CB 3.46Å; A197-S201 PolarHBondContact O-N 3.14Å; A197-S201 PolarHBondContact O-OG 2.88Å; A197-S201 VanDerWaalsContact O-OG 3.14Å; I198-S201 WeakPolarHBondContact CA-OG 3.48Å; I198-S201 PolarHBondContact O-N 3.31Å; I198-S201 PolarHBondContact O-OG 3.22Å; G199-S201 VanDerWaalsContact C-N 3.32Å; G199-S201 PolarHBondContact O-N 3.42Å; S201-D203 VanDerWaalsContact C-N 3.29Å
202L52Low51.8Low43 Ų4389.3 Ų89.323%0.22546%0.464CS..Hα-helixtrans-81.2-12172.3-67.7167000112I198 G199 R200 F204 L205 R210I198-L202 HydrophobicContact CG2-CD1 3.93Å; I198-L202 WeakPolarHBondContact O-CG 3.45Å; I198-L202 PolarHBondContact O-N 3.04Å; G199-L202 CarbonylContact O-C 3.53Å; G199-L202 WeakPolarHBondContact O-CB 3.34Å; G199-L202 PolarHBondContact O-N 3.18Å; G199-L202 VanDerWaalsContact O-N 3.09Å; R200-L202 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 2.88Å; L202-L205 HydrophobicContact CD2-CD1 3.67Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-L205 VanDerWaalsContact O-N 3.13Å; L202-R210 PolarHBondContact O-NE 3.25Å; L202-R210 VanDerWaalsContact O-NE 3.12Å
203D56.2Low52Low89 Ų8986.1 Ų86.148%0.47645%0.451SS..THydrogen-bonded Turntrans-68.6-19.7-179.4-77.7-35.2000113.8G199 R200 S201 L205 R210G199-D203 PolarHBondContact O-N 3.12Å; R200-D203 WeakPolarHBondContact CA-OD2 3.48Å; R200-D203 WeakPolarHBondContact O-CB 3.48Å; R200-D203 PolarHBondContact O-N 3.13Å; S201-D203 VanDerWaalsContact C-N 3.29Å; D203-L205 VanDerWaalsContact C-N 3.35Å; D203-R210 VanDerWaalsContact C-NH2 3.27Å; D203-R210 PolarHBondContact O-NH2 3.48Å; D203-R210 IonicContact OD1-CZ 3.47Å; D203-R210 IonicContact OD1-NH1 2.8Å; D203-R210 PolarHBondContact OD1-NH1 3.13Å; D203-R210 IonicContact OD1-NH2 3.47Å; D203-R210 PolarHBondContact OD1-NH2 3.28Å
204F55.5Low51.7Low190 Ų19086.5 Ų86.583%0.83346%0.458SS*.THydrogen-bonded Turntrans-84.2-7.8175-61.7-82.1000113.9R200 L202R200-F204 WeakPolarHBondContact O-CD2 3.35Å; R200-F204 WeakPolarHBondContact O-CE2 3.19Å; L202-F204 PolarHBondContact O-N 2.88Å
205L50.1Low51.3Low49 Ų4994.3 Ų94.326%0.25749%0.485SS..SBendtrans-90.2135.6177.1-74.3160.2000110L202 D203 Q209 R210 I213L202-L205 HydrophobicContact CD2-CD1 3.67Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-L205 VanDerWaalsContact O-N 3.13Å; D203-L205 VanDerWaalsContact C-N 3.35Å; L205-Q209 HydrophobicContact CB-CB 4.35Å; L205-Q209 HydrophobicContact CD2-CB 4.24Å; L205-R210 HydrophobicContact CB-CG 4.17Å; L205-R210 PolarHBondContact O-NE 3.49Å; L205-I213 HydrophobicContact CD1-CD1 4.03Å
206D52.6Low50.8Low122 Ų12294.6 Ų94.665%0.65248%0.481SS*.  trans-56.6146.6175.6-142.8-13.2000110.7D208 Q209 R210D206-D208 PolarHBondContact O-N 3.09Å; D206-Q209 HydrophobicContact CB-CG 4.48Å; D206-Q209 WeakPolarHBondContact O-CB 3.18Å; D206-Q209 PolarHBondContact O-N 3.47Å; D206-R210 PolarHBondContact O-N 2.8Å; D206-R210 VanDerWaalsContact O-N 3.11Å
207K57.6Low49.7Very low170 Ų17094.7 Ų94.774%0.73948%0.483SS*.Hα-helixtrans-54.4-33.8-171.1-76.2-179.3179.5175.40112.5R210 S211K207-R210 PolarHBondContact O-N 3.03Å; K207-S211 PolarHBondContact O-N 3.2Å
208D53.3Low48.9Very low120 Ų120100 Ų10064%0.64250%0.504SS*.Hα-helixtrans-69-38179.6-65.2-23.7000112.3D206 S211D206-D208 PolarHBondContact O-N 3.09Å; D208-S211 PolarHBondContact O-N 2.89Å; D208-S211 PolarHBondContact O-OG 3.24Å
209Q53.1Low48.1Very low110 Ų110105.1 Ų105.151%0.51452%0.524SS..Hα-helixtrans-70.5-34.3175.3-63.3-69.2-39.700111.8L205 D206 S211 V212 I213L205-Q209 HydrophobicContact CB-CB 4.35Å; L205-Q209 HydrophobicContact CD2-CB 4.24Å; D206-Q209 HydrophobicContact CB-CG 4.48Å; D206-Q209 WeakPolarHBondContact O-CB 3.18Å; D206-Q209 PolarHBondContact O-N 3.47Å; Q209-S211 VanDerWaalsContact C-N 3.29Å; Q209-S211 PolarHBondContact O-N 3.36Å; Q209-V212 PolarHBondContact O-N 3.35Å; Q209-I213 PolarHBondContact O-N 3.42Å
210R48.2Very low47Very low79 Ų79116.5 Ų116.530%0.29857%0.565SS.*Hα-helixtrans-61.7-38.3173.8-61.6-173.2-163.7-164.29.4111.5L202 D203 L205 D206 K207 V212 I213 C214L202-R210 PolarHBondContact O-NE 3.25Å; L202-R210 VanDerWaalsContact O-NE 3.12Å; D203-R210 VanDerWaalsContact C-NH2 3.27Å; D203-R210 PolarHBondContact O-NH2 3.48Å; D203-R210 IonicContact OD1-CZ 3.47Å; D203-R210 IonicContact OD1-NH1 2.8Å; D203-R210 PolarHBondContact OD1-NH1 3.13Å; D203-R210 IonicContact OD1-NH2 3.47Å; D203-R210 PolarHBondContact OD1-NH2 3.28Å; L205-R210 HydrophobicContact CB-CG 4.17Å; L205-R210 PolarHBondContact O-NE 3.49Å; D206-R210 PolarHBondContact O-N 2.8Å; D206-R210 VanDerWaalsContact O-N 3.11Å; K207-R210 PolarHBondContact O-N 3.03Å; R210-V212 VanDerWaalsContact C-N 3.29Å; R210-V212 PolarHBondContact O-N 3.42Å; R210-I213 PolarHBondContact O-N 3.38Å; R210-C214 WeakPolarHBondContact O-CB 3.44Å; R210-C214 PolarHBondContact O-N 3.11Å; R210-C214 PolarHBondContact O-SG 2.89Å
211S47.9Very low46.6Very low46 Ų46114 Ų11432%0.32256%0.562SS.*Hα-helixtrans-68.8-24.5-177.783.70000114K207 D208 Q209 R215K207-S211 PolarHBondContact O-N 3.2Å; D208-S211 PolarHBondContact O-N 2.89Å; D208-S211 PolarHBondContact O-OG 3.24Å; Q209-S211 VanDerWaalsContact C-N 3.29Å; Q209-S211 PolarHBondContact O-N 3.36Å; S211-R215 WeakPolarHBondContact O-CB 3.18Å; S211-R215 WeakPolarHBondContact O-CG 3.45Å; S211-R215 PolarHBondContact O-N 2.93Å; S211-R215 PolarHBondContact O-NE 3.37Å
212V51.8Low46.3Very low101 Ų101117.1 Ų117.161%0.61257%0.571SS**Hα-helixtrans-82.4-38.4178.2179.30000110.6Q209 R210Q209-V212 PolarHBondContact O-N 3.35Å; R210-V212 VanDerWaalsContact C-N 3.29Å; R210-V212 PolarHBondContact O-N 3.42Å
213I46.7Very low46Very low74 Ų74121.2 Ų121.238%0.37959%0.59SS.*Hα-helixtrans-77-35.8179.2-61.7171000111.2L205 Q209 R210 R215L205-I213 HydrophobicContact CD1-CD1 4.03Å; Q209-I213 PolarHBondContact O-N 3.42Å; R210-I213 PolarHBondContact O-N 3.38Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.36Å
214C45.4Very low45.4Very low72 Ų72123.1 Ų123.149%0.48660%0.597SS.*THydrogen-bonded Turntrans-80.3-4.3177.3-66.40000114.1R210 L216R210-C214 WeakPolarHBondContact O-CB 3.44Å; R210-C214 PolarHBondContact O-N 3.11Å; R210-C214 PolarHBondContact O-SG 2.89Å; C214-L216 PolarHBondContact O-N 3.36Å
215R38.8Very low44.8Very low198 Ų198118.9 Ų118.975%0.74758%0.582SS**THydrogen-bonded Turntrans-82.85.6171.5-90.5-175-126.4-155.23.6113.9S211 I213S211-R215 WeakPolarHBondContact O-CB 3.18Å; S211-R215 WeakPolarHBondContact O-CG 3.45Å; S211-R215 PolarHBondContact O-N 2.93Å; S211-R215 PolarHBondContact O-NE 3.37Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.36Å
216L37.5Very low44.4Very low94 Ų94123.5 Ų123.549%0.49260%0.604SS.*SBendtrans-61.3136.1160.5-69.3172.5000108.3C214 I218C214-L216 PolarHBondContact O-N 3.36Å; L216-I218 PolarHBondContact O-N 3.03Å
217P32.6Very low43.8Very low67 Ų67123.6 Ų123.644%0.43560%0.6SS.*  trans-66.7107.4-164.828-35.3000110.4F219P217-F219 HydrophobicContact CB-CD2 3.5Å; P217-F219 VanDerWaalsContact CB-CD2 3.5Å; P217-F219 HydrophobicContact CB-CE2 3.31Å; P217-F219 HydrophobicContact CB-CG 4.36Å; P217-F219 HydrophobicContact CB-CZ 4.05Å; P217-F219 HydrophobicContact CG-CD2 4.02Å; P217-F219 HydrophobicContact CG-CE2 3.7Å; P217-F219 PolarHBondContact O-N 2.78Å
218I34.3Very low42.8Very low157 Ų157120.1 Ų120.181%0.80559%0.59SS**  trans-8180162.9-56.2172.7000104.7L216 K220L216-I218 PolarHBondContact O-N 3.03Å; I218-K220 PolarHBondContact O-N 2.81Å
219F36.3Very low41.9Very low175 Ų175120.1 Ų120.177%0.76859%0.585SS**  trans-70121.2176.1-82.7-74000109.8P217P217-F219 HydrophobicContact CB-CD2 3.5Å; P217-F219 VanDerWaalsContact CB-CD2 3.5Å; P217-F219 HydrophobicContact CB-CE2 3.31Å; P217-F219 HydrophobicContact CB-CG 4.36Å; P217-F219 HydrophobicContact CB-CZ 4.05Å; P217-F219 HydrophobicContact CG-CD2 4.02Å; P217-F219 HydrophobicContact CG-CE2 3.7Å; P217-F219 PolarHBondContact O-N 2.78Å
220K29.9Very low40.9Very low268 Ų268121 Ų121100%1.16559%0.592SS**  -690127.6-89.5-174.4175.6-179.30108.1I218I218-K220 PolarHBondContact O-N 2.81Å

Retrieved 220 of 220 residues in 139.9 ms (Link to these results)