A0A077YZK6_TRITR Loading...

40S ribosomal protein S14

AlphaFold DB , UniProt , Accession A0A077YZK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 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
1M53.8Low56.5Low239 Ų239169.5 Ų169.5100%1.17785%0.853SS**  0127.40-80.3178.6167.300108.8
2P69.6Low56.6Low119 Ų119164.7 Ų164.777%0.77384%0.842SS**  trans-67.6142.6169.429.1-31.7000109.4R4P2-R4 PolarHBondContact O-N 3.33Å
3P67.3Low56.9Low125 Ų125161 Ų16181%0.81283%0.832SS**  trans-63.6124176.425.1-31.6000109.7K5P3-K5 PolarHBondContact O-N 3.02Å; P3-K5 VanDerWaalsContact O-N 3.12Å
4R56.7Low57.3Low248 Ų248157.4 Ų157.494%0.93682%0.82SS**  trans-56.7114.6169.3-83.7179.3167.2175.5-4.1108P2 G6P2-R4 PolarHBondContact O-N 3.33Å; R4-G6 PolarHBondContact O-N 3.18Å
5K58.1Low57.6Low211 Ų211151.7 Ų151.792%0.91780%0.799SS**  trans-58.7109.7165.5-89179.9175175.90107.3P3P3-K5 PolarHBondContact O-N 3.02Å; P3-K5 VanDerWaalsContact O-N 3.12Å
6G51.1Low58.3Low67 Ų67152.6 Ų152.669%0.69180%0.803SS**  trans-54.9138.317200000110R4 K8R4-G6 PolarHBondContact O-N 3.18Å; G6-K8 PolarHBondContact O-N 3.17Å
7K48.1Very low59Low198 Ų198144.9 Ų144.986%0.86177%0.767SS**  trans-52.3121.2166.7-83.8179171.2-179.30107.2D9K7-D9 PolarHBondContact O-N 3.24Å
8K54.1Low59.8Low193 Ų193142.5 Ų142.584%0.83976%0.761SS**  trans-71.6115.4163.2-81.9-177.8174.2-176.50105.5G6 D10G6-K8 PolarHBondContact O-N 3.17Å; K8-D10 PolarHBondContact O-N 3.12Å
9D48.7Very low60.6Low140 Ų140142.6 Ų142.675%0.74977%0.767SS**  trans-62.2114.5169.8-60.5-48.3000107.6K7 Q11K7-D9 PolarHBondContact O-N 3.24Å; D9-Q11 PolarHBondContact O-N 2.8Å
10D54.4Low61.4Low160 Ų160139 Ų13986%0.85675%0.747SS**  trans-67.984.6175.1-72.4-40.3000108.3K8K8-D10 PolarHBondContact O-N 3.12Å
11Q60Low62.4Low165 Ų165135.7 Ų135.777%0.77173%0.733SS**  trans-61.9138.4168.5-66.9-170.90.600108.5D9 V13D9-Q11 PolarHBondContact O-N 2.8Å; Q11-V13 PolarHBondContact O-N 3.21Å
12P57.4Low63.6Low111 Ų111130.8 Ų130.872%0.72172%0.719SS**  trans-56.9129176.224.5-32.7000108.6V14P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.83Å
13V60.4Low64.2Low117 Ų117128.8 Ų128.871%0.70972%0.72SS**  trans-6790.7177.2-178.50000107.7Q11 S15Q11-V13 PolarHBondContact O-N 3.21Å; V13-S15 PolarHBondContact O-N 3.06Å
14V62.7Low65.1Low110 Ų110128.4 Ų128.467%0.66771%0.707SS**  trans-75.394.2174.1-177.60000107.3P12 L16P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.83Å; V14-L16 HydrophobicContact CG1-CD2 4.12Å; V14-L16 PolarHBondContact O-N 3.22Å
15S61.7Low66.6Low72 Ų72118.8 Ų118.850%0.50368%0.676SS.*  trans-74107.8169.858.40000108.9V13 A17V13-S15 PolarHBondContact O-N 3.06Å; S15-A17 PolarHBondContact O-N 3.16Å; S15-A17 VanDerWaalsContact O-N 3.16Å
16L68.4Low68.2Low166 Ų166113 Ų11387%0.86965%0.648SS**  trans-70.7-1.9176.5-63.2170.9000113.6V14V14-L16 HydrophobicContact CG1-CD2 4.12Å; V14-L16 PolarHBondContact O-N 3.22Å
17A69.8Low70.2Confident23 Ų23113.5 Ų113.519%0.1963%0.631CS.*SBendtrans-75.8140.6-178.600000111.7S15 V87S15-A17 PolarHBondContact O-N 3.16Å; S15-A17 VanDerWaalsContact O-N 3.16Å; A17-V87 WeakPolarHBondContact CB-O 3.5Å
18P74.1Confident72.4Confident101 Ų101104.1 Ų104.166%0.65659%0.591SS**PPolyproline II helixtrans-60141.3169.126.3-33000110.2L20P18-L20 PolarHBondContact O-N 3.49Å
19V74.9Confident74.4Confident145 Ų14595.2 Ų95.288%0.87955%0.553SS**PPolyproline II helixtrans-65.9123.7178.7-1780000109.1
20L76.5Confident76.7Confident69 Ų6988.6 Ų88.636%0.36152%0.517SS..PPolyproline II helixtrans-89.7143.3175-76.4161.3000110.5P18 Q24 R26P18-L20 PolarHBondContact O-N 3.49Å; L20-Q24 HydrophobicContact CB-CB 4.45Å; L20-Q24 HydrophobicContact CD2-CB 4.33Å; L20-R26 HydrophobicContact CD1-CB 3.66Å; L20-R26 HydrophobicContact CD1-CG 4.25Å
21P81.8Confident78.8Confident70 Ų7083.6 Ų83.646%0.45549%0.489SS..PPolyproline II helixtrans-57.4150.6171-23.433.2000112.3G23 Q24P21-G23 PolarHBondContact O-N 3.3Å; P21-Q24 HydrophobicContact CB-CG 4.48Å; P21-Q24 PolarHBondContact O-N 3.15Å
22P79.3Confident80.5Confident137 Ų13775.8 Ų75.889%0.8945%0.452SS*.THydrogen-bonded Turntrans-58.2131.5176.225.2-33.5000110.4
23G81.9Confident82.4Confident76 Ų7672.8 Ų72.878%0.78443%0.428SS*.THydrogen-bonded Turntrans97.5-17.7-178.900000115P21P21-G23 PolarHBondContact O-N 3.3Å
24Q86Confident84.1Confident118 Ų11867.2 Ų67.255%0.55139%0.394SS*.  trans-79.6147.3174-68.2-170.212.700111.9L20 P21L20-Q24 HydrophobicContact CB-CB 4.45Å; L20-Q24 HydrophobicContact CD2-CB 4.33Å; P21-Q24 HydrophobicContact CB-CG 4.48Å; P21-Q24 PolarHBondContact O-N 3.15Å
25V88.9Confident85.7Confident45 Ų4562.6 Ų62.627%0.27337%0.367SS..  trans-114.7137.5177.5-68.70000110F27 T90 A91 K124V25-F27 HydrophobicContact CB-CE2 4.45Å; V25-F27 HydrophobicContact CG2-CD2 3.88Å; V25-F27 HydrophobicContact CG2-CE2 3.28Å; V25-F27 HydrophobicContact CG2-CZ 3.78Å; V25-T90 VanDerWaalsContact CA-OG1 3.31Å; V25-T90 WeakPolarHBondContact CA-OG1 3.46Å; V25-A91 HydrophobicContact CB-CB 3.99Å; V25-A91 HydrophobicContact CG2-CB 4.33Å; V25-K124 HydrophobicContact CG1-CD 3.66Å
26R91.2Very high87.3Confident91 Ų9164.5 Ų64.534%0.34337%0.366SS..  trans-93.6112.9172.5-162.8173.3-176.1-175.41.5108.2L20 G88 I89 T90 A91L20-R26 HydrophobicContact CD1-CB 3.66Å; L20-R26 HydrophobicContact CD1-CG 4.25Å; R26-G88 WeakPolarHBondContact CB-O 3.45Å; R26-I89 WeakPolarHBondContact O-CG2 3.28Å; R26-T90 PolarHBondContact N-OG1 3.33Å; R26-T90 PolarHBondContact O-N 2.84Å; R26-T90 VanDerWaalsContact O-N 3.16Å; R26-A91 PolarHBondContact O-N 3.32Å
27F93.1Very high88.6Confident76 Ų7662.5 Ų62.533%0.33336%0.357SS..EExtended strand (participates in β ladder)trans-84.5131.8178.4-78.2-82000111.4V25 L46 A91 H93V25-F27 HydrophobicContact CB-CE2 4.45Å; V25-F27 HydrophobicContact CG2-CD2 3.88Å; V25-F27 HydrophobicContact CG2-CE2 3.28Å; V25-F27 HydrophobicContact CG2-CZ 3.78Å; F27-L46 HydrophobicContact CB-CD2 3.94Å; F27-A91 CarbonylContact C-O 3.44Å; F27-A91 WeakPolarHBondContact CA-O 3.32Å; F27-A91 HydrophobicContact CD1-CB 3.52Å; F27-A91 HydrophobicContact CE1-CB 3.48Å; F27-A91 VanDerWaalsContact CE1-CB 3.48Å; F27-A91 HydrophobicContact CE2-CB 4.49Å; F27-A91 HydrophobicContact CG-CB 4.05Å; F27-A91 HydrophobicContact CZ-CB 4Å; F27-H93 AromaticContact CD1-CD2 3.63Å; F27-H93 AromaticContact CD1-CE1 3.82Å; F27-H93 AromaticContact CD1-NE2 3.31Å; F27-H93 VanDerWaalsContact CD1-NE2 3.31Å; F27-H93 WeakPolarHBondContact CD1-NE2 3.3Å; F27-H93 AromaticContact CE1-CE1 3.81Å; F27-H93 AromaticContact CE1-NE2 3.74Å; F27-H93 AromaticContact CG-NE2 3.69Å
28G94.8Very high89.8Confident1 Ų162.3 Ų62.31%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-113.5179.5157.700000110.8T44 A91 L92 H93G28-T44 WeakPolarHBondContact CA-O 3.37Å; G28-A91 PolarHBondContact N-O 2.72Å; G28-L92 CarbonylContact O-C 3.46Å; G28-L92 WeakPolarHBondContact O-CA 3.45Å; G28-H93 PolarHBondContact O-N 3.44Å
29V96.7Very high90.9Very high7 Ų757.6 Ų57.64%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-118.8117.7174.8-174.20000109.2V43 T44 L46 H93 K95V29-V43 CarbonylContact O-C 3.52Å; V29-V43 WeakPolarHBondContact O-CA 3.39Å; V29-T44 PolarHBondContact N-O 3.18Å; V29-T44 PolarHBondContact O-N 3.36Å; V29-T44 PolarHBondContact O-OG1 3.46Å; V29-L46 HydrophobicContact CG2-CD2 4.18Å; V29-H93 CarbonylContact C-O 3.58Å; V29-H93 WeakPolarHBondContact CA-O 3.38Å; V29-H93 HydrophobicContact CG1-CB 4.5Å; V29-H93 HydrophobicContact CG2-CB 4.3Å; V29-K95 HydrophobicContact CG1-CB 4.48Å; V29-K95 HydrophobicContact CG1-CD 3.8Å; V29-K95 HydrophobicContact CG1-CG 3.97Å
30A96.8Very high92Very high0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-90104.8172.100000110.1I32 H42 V43 L92 H93 K95 L118A30-I32 PolarHBondContact O-N 3.25Å; A30-H42 CarbonylContact C-O 3.56Å; A30-H42 WeakPolarHBondContact CA-O 3.17Å; A30-V43 HydrophobicContact CB-CG2 4.18Å; A30-L92 HydrophobicContact CB-CB 4.28Å; A30-L92 HydrophobicContact CB-CD1 4.21Å; A30-H93 PolarHBondContact N-O 3.19Å; A30-K95 PolarHBondContact O-N 3.04Å; A30-L118 HydrophobicContact CB-CD1 4.28Å
31H97.4Very high92.9Very high55 Ų5550.8 Ų50.826%0.25528%0.277SS..EExtended strand (participates in β ladder)trans-81.2104.9167.9-62.8-88.8000109.3H42 T44H31-H42 HydrophobicContact CB-CB 4.22Å; H31-H42 PolarHBondContact N-O 3.43Å; H31-H42 PolarHBondContact O-N 3.39Å; H31-T44 PolarHBondContact NE2-OG1 3.03Å
32I96.8Very high93.7Very high2 Ų249.3 Ų49.31%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-99.5104177.3-57.4178.6000107.8A30 F40 I94 K95 L96 R97 A114 L115 L118A30-I32 PolarHBondContact O-N 3.25Å; I32-F40 WeakPolarHBondContact CA-O 2.95Å; I32-I94 HydrophobicContact CD1-CG2 3.85Å; I32-I94 HydrophobicContact CG1-CG2 4.38Å; I32-K95 PolarHBondContact N-O 3.09Å; I32-L96 HydrophobicContact CB-CD1 3.99Å; I32-L96 HydrophobicContact CG2-CD1 3.81Å; I32-R97 PolarHBondContact O-N 3.02Å; I32-A114 HydrophobicContact CD1-CB 4.45Å; I32-A114 HydrophobicContact CG2-CB 4.23Å; I32-L115 HydrophobicContact CD1-CB 4.32Å; I32-L118 HydrophobicContact CD1-CD1 4.08Å
33F97.2Very high94.5Very high47 Ų4742.8 Ų42.821%0.20622%0.222CC..EExtended strand (participates in β ladder)trans-95.7111.8172.6175.3-102.1000109.4T39 F40 R97F33-T39 CarbonylContact O-C 3.53Å; F33-T39 WeakPolarHBondContact O-CA 3.44Å; F33-F40 HydrophobicContact CB-CB 4.1Å; F33-F40 AromaticContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CE2 4.17Å; F33-F40 HydrophobicContact CD1-CG 4.31Å; F33-F40 HydrophobicContact CE1-CD2 4.43Å; F33-F40 PolarHBondContact N-O 2.89Å; F33-F40 PolarHBondContact O-N 3.09Å; F33-R97 CarbonylContact C-O 3.59Å; F33-R97 WeakPolarHBondContact CA-O 3.35Å; F33-R97 HydrophobicContact CD2-CB 4.17Å; F33-R97 HydrophobicContact CD2-CG 3.89Å; F33-R97 HydrophobicContact CE2-CG 4.49Å
34A96.5Very high95.2Very high0 Ų039.2 Ų39.20%019%0.185CC..EExtended strand (participates in β ladder)trans-114.6103.9-178.500000109.6T39 R97 P107 G108 A111A34-T39 HydrophobicContact CB-CG2 4.49Å; A34-R97 PolarHBondContact N-O 3.32Å; A34-P107 HydrophobicContact CB-CB 4.41Å; A34-G108 PolarHBondContact O-N 3.45Å; A34-A111 HydrophobicContact CB-CB 3.6Å
35S95.8Very high95.6Very high14 Ų1435.6 Ų35.610%0.09817%0.17CC..  trans-102.6174171.876.10000110.5N37 D38 G108S35-N37 PolarHBondContact O-N 2.8Å; S35-N37 PolarHBondContact OG-N 2.82Å; S35-D38 PolarHBondContact N-O 3.37Å; S35-D38 PolarHBondContact OG-N 2.67Å; S35-D38 PolarHBondContact OG-O 3.18Å; S35-G108 WeakPolarHBondContact O-CA 3.43Å
36F95.1Very high95.8Very high111 Ų11138.9 Ų38.949%0.48719%0.185SC..SBendtrans-74.7-11.1174.1-73.9-81.3000113.6A68 T104F36-A68 VanDerWaalsContact O-CB 3.26Å; F36-A68 WeakPolarHBondContact O-CB 3.36Å; F36-T104 HydrophobicContact CD2-CG2 4.44Å; F36-T104 HydrophobicContact CE2-CG2 4.02Å; F36-T104 WeakPolarHBondContact CE2-OG1 3.48Å
37N95.3Very high96Very high125 Ų12538.1 Ų38.167%0.66819%0.193SC*.SBendtrans-112.6-28-176.1-65.14000112.8S35 E67 A68S35-N37 PolarHBondContact O-N 2.8Å; S35-N37 PolarHBondContact OG-N 2.82Å; N37-E67 VanDerWaalsContact O-CB 3.28Å; N37-E67 WeakPolarHBondContact O-CB 3.31Å; N37-A68 PolarHBondContact O-N 3.11Å
38D96.4Very high95.9Very high19 Ų1936.2 Ų36.210%0.10220%0.196CC..  trans-156.1162.6176.8-167.112.4000111.2S35 F40 G57 G58 E67S35-D38 PolarHBondContact N-O 3.37Å; S35-D38 PolarHBondContact OG-N 2.67Å; S35-D38 PolarHBondContact OG-O 3.18Å; D38-F40 HydrophobicContact CB-CE2 3.99Å; D38-F40 WeakPolarHBondContact OD2-CE2 3.36Å; D38-G57 PolarHBondContact OD1-N 3.44Å; D38-G58 PolarHBondContact OD1-N 2.85Å; D38-E67 HydrophobicContact CB-CB 4.23Å
39T96.7Very high95.9Very high1 Ų146.6 Ų46.61%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-125.9131.9178560000110.6F33 A34 T56 G57 A73F33-T39 CarbonylContact O-C 3.53Å; F33-T39 WeakPolarHBondContact O-CA 3.44Å; A34-T39 HydrophobicContact CB-CG2 4.49Å; T39-T56 CarbonylContact O-C 3.59Å; T39-T56 VanDerWaalsContact O-CA 3.25Å; T39-T56 WeakPolarHBondContact O-CA 3.33Å; T39-G57 PolarHBondContact O-N 3.32Å; T39-A73 HydrophobicContact CG2-CB 4.22Å
40F97.3Very high95.7Very high71 Ų7153.1 Ų53.131%0.31127%0.265SS..EExtended strand (participates in β ladder)trans-118.1132.4179.6-66.2-121.6000108.6I32 F33 D38 T56I32-F40 WeakPolarHBondContact CA-O 2.95Å; F33-F40 HydrophobicContact CB-CB 4.1Å; F33-F40 AromaticContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CE2 4.17Å; F33-F40 HydrophobicContact CD1-CG 4.31Å; F33-F40 HydrophobicContact CE1-CD2 4.43Å; F33-F40 PolarHBondContact N-O 2.89Å; F33-F40 PolarHBondContact O-N 3.09Å; D38-F40 HydrophobicContact CB-CE2 3.99Å; D38-F40 WeakPolarHBondContact OD2-CE2 3.36Å; F40-T56 HydrophobicContact CD1-CG2 3.33Å; F40-T56 HydrophobicContact CD2-CG2 4.33Å; F40-T56 HydrophobicContact CE1-CG2 3.37Å; F40-T56 HydrophobicContact CE2-CG2 4.36Å; F40-T56 HydrophobicContact CG-CG2 3.83Å; F40-T56 HydrophobicContact CZ-CG2 3.89Å
41V96.8Very high95.7Very high0 Ų057.7 Ų57.70%029%0.292CS..EExtended strand (participates in β ladder)trans-115.1108.1168.8-1710000106.8V55 A76 A77 V80 A114 L118V41-V55 PolarHBondContact N-O 3.38Å; V41-V55 PolarHBondContact O-N 2.85Å; V41-V55 VanDerWaalsContact O-O 3.14Å; V41-A76 HydrophobicContact CG2-CB 4.31Å; V41-A77 HydrophobicContact CG2-CB 4.42Å; V41-V80 HydrophobicContact CB-CG2 4.01Å; V41-V80 HydrophobicContact CG1-CB 4.05Å; V41-V80 HydrophobicContact CG1-CG1 3.85Å; V41-V80 HydrophobicContact CG1-CG2 3.86Å; V41-A114 HydrophobicContact CG2-CB 3.99Å; V41-L118 HydrophobicContact CG1-CD1 4.21Å; V41-L118 HydrophobicContact CG1-CD2 4.49Å
42H97.5Very high95.4Very high39 Ų3957.9 Ų57.918%0.18130%0.295CS..EExtended strand (participates in β ladder)trans-123.8118.9-175.6178.2-134.2000109.8A30 H31 T44 T51 C53 R54A30-H42 CarbonylContact C-O 3.56Å; A30-H42 WeakPolarHBondContact CA-O 3.17Å; H31-H42 HydrophobicContact CB-CB 4.22Å; H31-H42 PolarHBondContact N-O 3.43Å; H31-H42 PolarHBondContact O-N 3.39Å; H42-T44 WeakPolarHBondContact CE1-CG2 3.37Å; H42-T51 WeakPolarHBondContact NE2-CB 3.3Å; H42-T51 WeakPolarHBondContact NE2-CG2 3.48Å; H42-C53 PolarHBondContact CD2-O 2.68Å; H42-R54 HydrophobicContact CB-CG 4.32Å
43V96.5Very high95.3Very high0 Ų058.3 Ų58.30%030%0.298CS..EExtended strand (participates in β ladder)trans-107.2129179.3-179.30000110V29 A30 I52 C53 V80 I89 L92V29-V43 CarbonylContact O-C 3.52Å; V29-V43 WeakPolarHBondContact O-CA 3.39Å; A30-V43 HydrophobicContact CB-CG2 4.18Å; V43-I52 PolarHBondContact O-N 3.24Å; V43-C53 PolarHBondContact N-O 3.03Å; V43-C53 PolarHBondContact O-N 2.96Å; V43-V80 HydrophobicContact CG2-CG1 3.4Å; V43-V80 VanDerWaalsContact CG2-CG1 3.4Å; V43-I89 HydrophobicContact CG1-CD1 4.1Å; V43-L92 HydrophobicContact CG1-CD2 3.6Å; V43-L92 HydrophobicContact CG2-CD1 4.42Å; V43-L92 HydrophobicContact CG2-CD2 4.26Å
44T96.7Very high95.3Very high1 Ų164 Ų641%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-122.6173.5176.662.40000111.2G28 V29 H31 H42 E50 T51G28-T44 WeakPolarHBondContact CA-O 3.37Å; V29-T44 PolarHBondContact N-O 3.18Å; V29-T44 PolarHBondContact O-N 3.36Å; V29-T44 PolarHBondContact O-OG1 3.46Å; H31-T44 PolarHBondContact NE2-OG1 3.03Å; H42-T44 WeakPolarHBondContact CE1-CG2 3.37Å; T44-E50 CarbonylContact C-O 3.58Å; T44-E50 WeakPolarHBondContact CA-O 3.25Å; T44-E50 VanDerWaalsContact CB-O 3.3Å; T44-E50 WeakPolarHBondContact CB-O 3.43Å; T44-T51 HydrophobicContact CG2-CG2 4.31Å
45D94Very high95.2Very high43 Ų4364 Ų6423%0.2332%0.318CS..  trans-65.5177.5161.778.8-52.2000112S47 G48 R49 E50D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.18Å; D45-S47 PolarHBondContact OD2-N 2.92Å; D45-S47 PolarHBondContact OD2-OG 3.31Å; D45-G48 PolarHBondContact O-N 3.06Å; D45-G48 PolarHBondContact OD1-N 3.47Å; D45-G48 VanDerWaalsContact OD1-N 3.14Å; D45-R49 PolarHBondContact OD1-N 3.5Å; D45-E50 HydrophobicContact CB-CB 4.42Å; D45-E50 PolarHBondContact N-O 3.05Å; D45-E50 PolarHBondContact OD1-N 3.43Å
46L93.5Very high95.3Very high113 Ų11364.2 Ų64.259%0.59232%0.319SS*.THydrogen-bonded Turntrans-64.9-30.9-179.7-69.8175.6000113.3F27 V29 G48F27-L46 HydrophobicContact CB-CD2 3.94Å; V29-L46 HydrophobicContact CG2-CD2 4.18Å; L46-G48 VanDerWaalsContact C-N 3.27Å
47S94.5Very high95.2Very high75 Ų7559 Ų5952%0.52430%0.295SS..THydrogen-bonded Turntrans-74.4-21.3177.177.90000112.5D45 R49D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.18Å; D45-S47 PolarHBondContact OD2-N 2.92Å; D45-S47 PolarHBondContact OD2-OG 3.31Å; S47-R49 VanDerWaalsContact C-N 3.26Å; S47-R49 WeakPolarHBondContact OG-CB 3.3Å; S47-R49 WeakPolarHBondContact OG-CG 3.42Å; S47-R49 PolarHBondContact OG-N 3.22Å
48G92.6Very high95.2Very high37 Ų3754 Ų5438%0.38127%0.273SS..SBendtrans77.78.9-174.900000113.9D45 L46D45-G48 PolarHBondContact O-N 3.06Å; D45-G48 PolarHBondContact OD1-N 3.47Å; D45-G48 VanDerWaalsContact OD1-N 3.14Å; L46-G48 VanDerWaalsContact C-N 3.27Å
49R93.8Very high95.1Very high218 Ų21858.8 Ų58.882%0.82330%0.297SS*.  trans-89.9-40.6-178-65.7-179175.8-178.8-0.7112.1D45 S47D45-R49 PolarHBondContact OD1-N 3.5Å; S47-R49 VanDerWaalsContact C-N 3.26Å; S47-R49 WeakPolarHBondContact OG-CB 3.3Å; S47-R49 WeakPolarHBondContact OG-CG 3.42Å; S47-R49 PolarHBondContact OG-N 3.22Å
50E93.2Very high95Very high145 Ų14562.4 Ų62.468%0.67831%0.313SS*.SBendtrans-98.7122.2-178.2-72-170.9176.200110.7T44 D45T44-E50 CarbonylContact C-O 3.58Å; T44-E50 WeakPolarHBondContact CA-O 3.25Å; T44-E50 VanDerWaalsContact CB-O 3.3Å; T44-E50 WeakPolarHBondContact CB-O 3.43Å; D45-E50 HydrophobicContact CB-CB 4.42Å; D45-E50 PolarHBondContact N-O 3.05Å; D45-E50 PolarHBondContact OD1-N 3.43Å
51T95.4Very high94.9Very high95 Ų9560.4 Ų60.458%0.58331%0.306SS*.EExtended strand (participates in β ladder)trans-90.5126.3-179.565.20000109.9H42 T44H42-T51 WeakPolarHBondContact NE2-CB 3.3Å; H42-T51 WeakPolarHBondContact NE2-CG2 3.48Å; T44-T51 HydrophobicContact CG2-CG2 4.31Å
52I92.6Very high94.8Very high60 Ų6070.7 Ų70.731%0.30835%0.351SS..EExtended strand (participates in β ladder)trans-95.3-47.6-177.4-57172.6000109.4V43 V87 I89V43-I52 PolarHBondContact O-N 3.24Å; I52-V87 HydrophobicContact CG2-CB 4.23Å; I52-V87 HydrophobicContact CG2-CG1 4.08Å; I52-V87 HydrophobicContact CG2-CG2 3.96Å; I52-I89 HydrophobicContact CB-CD1 4.35Å; I52-I89 HydrophobicContact CD1-CD1 3.27Å; I52-I89 HydrophobicContact CD1-CG1 4.3Å; I52-I89 HydrophobicContact CG1-CD1 4.33Å; I52-I89 HydrophobicContact CG2-CD1 3.97Å
53C94.4Very high94.7Very high10 Ų1070.5 Ų70.57%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-152149172.262.60000111.5H42 V43 R83 C84H42-C53 PolarHBondContact CD2-O 2.68Å; V43-C53 PolarHBondContact N-O 3.03Å; V43-C53 PolarHBondContact O-N 2.96Å; C53-R83 HydrophobicContact CB-CB 4.24Å; C53-C84 VanDerWaalsContact SG-SG 3.64Å
54R96Very high94.6Very high168 Ų16876.9 Ų76.963%0.63439%0.39SS*.EExtended strand (participates in β ladder)trans-137.4121.9176.8-170.9175.967.1-169.50.6108.7H42H42-R54 HydrophobicContact CB-CG 4.32Å
55V96.4Very high94.5Very high0 Ų087.2 Ų87.20%043%0.429CS..EExtended strand (participates in β ladder)trans-136.1138.2175.9-173.20000108.3V41 M59 K60 A76 D79 V80V41-V55 PolarHBondContact N-O 3.38Å; V41-V55 PolarHBondContact O-N 2.85Å; V41-V55 VanDerWaalsContact O-O 3.14Å; V55-M59 HydrophobicContact CG1-SD 4.4Å; V55-K60 HydrophobicContact CG1-CG 4.42Å; V55-A76 HydrophobicContact CB-CB 4.35Å; V55-A76 HydrophobicContact CG1-CB 3.81Å; V55-D79 HydrophobicContact CG2-CB 4.48Å; V55-V80 HydrophobicContact CB-CG2 3.77Å; V55-V80 HydrophobicContact CG2-CG2 3.58Å
56T96.6Very high94.5Very high18 Ų1888 Ų8811%0.1143%0.433CS..EExtended strand (participates in β ladder)trans-111162.2175.974.60000110.9T39 F40 G58 M59T39-T56 CarbonylContact O-C 3.59Å; T39-T56 VanDerWaalsContact O-CA 3.25Å; T39-T56 WeakPolarHBondContact O-CA 3.33Å; F40-T56 HydrophobicContact CD1-CG2 3.33Å; F40-T56 HydrophobicContact CD2-CG2 4.33Å; F40-T56 HydrophobicContact CE1-CG2 3.37Å; F40-T56 HydrophobicContact CE2-CG2 4.36Å; F40-T56 HydrophobicContact CG-CG2 3.83Å; F40-T56 HydrophobicContact CZ-CG2 3.89Å; T56-G58 VanDerWaalsContact C-N 3.29Å; T56-M59 PolarHBondContact O-N 3.22Å; T56-M59 WeakPolarHBondContact OG1-CG 3.31Å; T56-M59 PolarHBondContact OG1-N 3.24Å
57G93.9Very high94.6Very high0 Ų085.1 Ų85.10%042%0.417CS..SBendtrans-60.1-42.8172.100000111.1D38 T39 M59 K60 V61D38-G57 PolarHBondContact OD1-N 3.44Å; T39-G57 PolarHBondContact O-N 3.32Å; G57-M59 PolarHBondContact O-N 3.46Å; G57-K60 PolarHBondContact O-N 3.21Å; G57-V61 PolarHBondContact O-N 2.87Å
58G93.7Very high94.6Very high20 Ų2082 Ų8221%0.20640%0.395CS..THydrogen-bonded Turntrans-62.2-21.2175.300000115.7D38 T56 K60D38-G58 PolarHBondContact OD1-N 2.85Å; T56-G58 VanDerWaalsContact C-N 3.29Å; G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 3.22Å
59M94.7Very high94.7Very high121 Ų12181.4 Ų81.460%0.59639%0.385SS*.THydrogen-bonded Turntrans-72.9-22.2171.3-69.6176.376.100113.1V55 T56 G57V55-M59 HydrophobicContact CG1-SD 4.4Å; T56-M59 PolarHBondContact O-N 3.22Å; T56-M59 WeakPolarHBondContact OG1-CG 3.31Å; T56-M59 PolarHBondContact OG1-N 3.24Å; G57-M59 PolarHBondContact O-N 3.46Å
60K95Very high94.9Very high77 Ų7774.1 Ų74.134%0.33537%0.366SS..THydrogen-bonded Turntrans-98.2-18.6-175-63-60.2-179.6-176.60113.4V55 G57 G58 L75 A76 D79V55-K60 HydrophobicContact CG1-CG 4.42Å; G57-K60 PolarHBondContact O-N 3.21Å; G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 3.22Å; K60-L75 HydrophobicContact CB-CB 3.99Å; K60-L75 HydrophobicContact CB-CD1 4.27Å; K60-L75 HydrophobicContact CD-CB 4.29Å; K60-L75 HydrophobicContact CG-CB 3.89Å; K60-A76 HydrophobicContact CG-CB 4.32Å; K60-D79 VanDerWaalsContact CE-OD2 3.3Å; K60-D79 WeakPolarHBondContact CE-OD2 3.32Å; K60-D79 VanDerWaalsContact NZ-CG 3.34Å; K60-D79 IonicContact NZ-OD2 2.67Å; K60-D79 PolarHBondContact NZ-OD2 2.96Å
61V95.6Very high95Very high29 Ų2974 Ų7418%0.17636%0.361CS..  trans-126.9139.9-177.7-175.80000109.1G57 A63 D66 A72G57-V61 PolarHBondContact O-N 2.87Å; V61-A63 HydrophobicContact CG1-CB 4.22Å; V61-D66 HydrophobicContact CG1-CB 3.64Å; V61-A72 HydrophobicContact CG2-CB 3.61Å
62K94.4Very high95Very high216 Ų21669.5 Ų69.594%0.93933%0.333SS*.SBendtrans-89.1-5.4-178.7-64.5-175.2177.9-177.20113.9
63A95.1Very high95.2Very high35 Ų3566.6 Ų66.629%0.28932%0.318SS..  trans-105.1120.5-176.600000109.8V61 R65 D66V61-A63 HydrophobicContact CG1-CB 4.22Å; A63-R65 HydrophobicContact CB-CG 4.45Å; A63-R65 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact O-N 3.11Å; A63-D66 HydrophobicContact CB-CB 4.36Å; A63-D66 PolarHBondContact O-N 2.9Å
64D94.2Very high95.3Very high133 Ų13369 Ų6971%0.71133%0.329SS*.G310 helixtrans-56.5-31.7-175.9-54-18.5000113.3D66 E67D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.16Å; D64-E67 WeakPolarHBondContact O-CG 3.47Å
65R94.5Very high95.3Very high219 Ų21963 Ų6383%0.82631%0.309SS*.G310 helixtrans-71.1-21.5179.568.8-176.6-178.3-172.3-2.8113.7A63A63-R65 HydrophobicContact CB-CG 4.45Å; A63-R65 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact O-N 3.11Å
66D94.1Very high95.3Very high58 Ų5863 Ų6331%0.3131%0.309SS..G310 helixtrans-104.33.6-170.1-66.3-45.9000112.3V61 A63 D64 A68 S69 A72V61-D66 HydrophobicContact CG1-CB 3.64Å; A63-D66 HydrophobicContact CB-CB 4.36Å; A63-D66 PolarHBondContact O-N 2.9Å; D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.16Å; D66-A68 PolarHBondContact O-N 3.29Å; D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 2.98Å; D66-S69 PolarHBondContact O-OG 2.94Å; D66-A72 WeakPolarHBondContact O-CB 3.48Å
67E95.5Very high95.3Very high54 Ų5462.2 Ų62.225%0.25230%0.304SS..THydrogen-bonded Turntrans-62-39.1179.3-62.8-170.6157.600112.8N37 D38 D64 S69N37-E67 VanDerWaalsContact O-CB 3.28Å; N37-E67 WeakPolarHBondContact O-CB 3.31Å; D38-E67 HydrophobicContact CB-CB 4.23Å; D64-E67 WeakPolarHBondContact O-CG 3.47Å; E67-S69 VanDerWaalsContact C-N 3.26Å; E67-S69 PolarHBondContact O-N 2.96Å
68A94.6Very high95.4Very high8 Ų866.4 Ų66.47%0.06632%0.324CS..THydrogen-bonded Turntrans-78.7-7.5174.500000113.8F36 N37 D66 P109F36-A68 VanDerWaalsContact O-CB 3.26Å; F36-A68 WeakPolarHBondContact O-CB 3.36Å; N37-A68 PolarHBondContact O-N 3.11Å; D66-A68 PolarHBondContact O-N 3.29Å; A68-P109 HydrophobicContact CB-CG 4.28Å; A68-P109 WeakPolarHBondContact O-CG 3.43Å
69S95.8Very high95.4Very high26 Ų2666.6 Ų66.618%0.18232%0.32CS..SBendtrans-61.6146.1-168.371.60000111.6D66 E67 Y71 A72 A73D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 2.98Å; D66-S69 PolarHBondContact O-OG 2.94Å; E67-S69 VanDerWaalsContact C-N 3.26Å; E67-S69 PolarHBondContact O-N 2.96Å; S69-Y71 PolarHBondContact O-N 2.95Å; S69-Y71 VanDerWaalsContact O-N 3.11Å; S69-A72 PolarHBondContact O-N 2.97Å; S69-A72 VanDerWaalsContact O-N 3.14Å; S69-A72 VanDerWaalsContact OG-CB 3.31Å; S69-A72 WeakPolarHBondContact OG-CB 3.16Å; S69-A72 PolarHBondContact OG-N 3.47Å; S69-A72 VanDerWaalsContact OG-N 3.12Å; S69-A73 PolarHBondContact O-N 3.41Å; S69-A73 VanDerWaalsContact O-N 3.09Å
70P96.4Very high95.5Very high65 Ų6560.9 Ų60.942%0.42229%0.292SS..Hα-helixtrans-51.2-33.8172.7-32.138.8000113.7M74 P109 S113P70-M74 PolarHBondContact O-N 3.03Å; P70-M74 VanDerWaalsContact O-N 3.13Å; P70-P109 HydrophobicContact CG-CB 4.35Å; P70-S113 WeakPolarHBondContact CB-OG 3.31Å; P70-S113 WeakPolarHBondContact O-CB 3.48Å
71Y96.2Very high95.5Very high142 Ų14257.2 Ų57.256%0.55728%0.276SS*.Hα-helixtrans-71.5-46179.4-179.4-106.8000112.1S69 A73 M74 L75S69-Y71 PolarHBondContact O-N 2.95Å; S69-Y71 VanDerWaalsContact O-N 3.11Å; Y71-A73 VanDerWaalsContact C-N 3.31Å; Y71-A73 PolarHBondContact O-N 3.49Å; Y71-M74 HydrophobicContact CD2-CE 3.77Å; Y71-M74 HydrophobicContact CE2-CE 3.77Å; Y71-M74 WeakPolarHBondContact O-CB 3.21Å; Y71-M74 PolarHBondContact O-N 3.01Å; Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.5Å; Y71-L75 VanDerWaalsContact CE1-CD1 3.5Å; Y71-L75 HydrophobicContact CE1-CG 4.27Å; Y71-L75 HydrophobicContact CE2-CD1 4.46Å; Y71-L75 HydrophobicContact CE2-CG 4.46Å; Y71-L75 PolarHBondContact O-N 3.34Å; Y71-L75 VanDerWaalsContact O-N 3.11Å
72A96.1Very high95.4Very high0 Ų062.7 Ų62.70%030%0.3CS..Hα-helixtrans-58.2-44.8175.200000111.6V61 D66 S69 M74 L75 A76V61-A72 HydrophobicContact CG2-CB 3.61Å; D66-A72 WeakPolarHBondContact O-CB 3.48Å; S69-A72 PolarHBondContact O-N 2.97Å; S69-A72 VanDerWaalsContact O-N 3.14Å; S69-A72 VanDerWaalsContact OG-CB 3.31Å; S69-A72 WeakPolarHBondContact OG-CB 3.16Å; S69-A72 PolarHBondContact OG-N 3.47Å; S69-A72 VanDerWaalsContact OG-N 3.12Å; A72-M74 VanDerWaalsContact C-N 3.33Å; A72-M74 PolarHBondContact O-N 3.48Å; A72-L75 PolarHBondContact O-N 3.29Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 2.98Å
73A96.4Very high95.3Very high0 Ų057.6 Ų57.60%028%0.275CS..Hα-helixtrans-62-38.617800000112.8T39 S69 Y71 A76 A77 G110 A114T39-A73 HydrophobicContact CG2-CB 4.22Å; S69-A73 PolarHBondContact O-N 3.41Å; S69-A73 VanDerWaalsContact O-N 3.09Å; Y71-A73 VanDerWaalsContact C-N 3.31Å; Y71-A73 PolarHBondContact O-N 3.49Å; A73-A76 PolarHBondContact O-N 3.12Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 3.11Å; A73-G110 WeakPolarHBondContact CB-O 3.46Å; A73-A114 HydrophobicContact CB-CB 4.27Å
74M96.5Very high95.1Very high61 Ų6155.9 Ų55.930%0.326%0.261SS..Hα-helixtrans-63-48175.7179.5-173.876.500111.5P70 Y71 A72 A76 A77 Q78 A117P70-M74 PolarHBondContact O-N 3.03Å; P70-M74 VanDerWaalsContact O-N 3.13Å; Y71-M74 HydrophobicContact CD2-CE 3.77Å; Y71-M74 HydrophobicContact CE2-CE 3.77Å; Y71-M74 WeakPolarHBondContact O-CB 3.21Å; Y71-M74 PolarHBondContact O-N 3.01Å; A72-M74 VanDerWaalsContact C-N 3.33Å; A72-M74 PolarHBondContact O-N 3.48Å; M74-A76 VanDerWaalsContact C-N 3.32Å; M74-A76 PolarHBondContact O-N 3.14Å; M74-A77 PolarHBondContact O-N 3.21Å; M74-Q78 WeakPolarHBondContact O-CG 3.21Å; M74-Q78 PolarHBondContact O-N 3.13Å; M74-A117 HydrophobicContact CB-CB 4.34Å; M74-A117 HydrophobicContact CG-CB 3.93Å
75L95.9Very high94.9Very high42 Ų4255.1 Ų55.122%0.2225%0.251CS..Hα-helixtrans-64.3-37.6178.7-67.7179.9000112.1K60 Y71 A72 D79K60-L75 HydrophobicContact CB-CB 3.99Å; K60-L75 HydrophobicContact CB-CD1 4.27Å; K60-L75 HydrophobicContact CD-CB 4.29Å; K60-L75 HydrophobicContact CG-CB 3.89Å; Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.5Å; Y71-L75 VanDerWaalsContact CE1-CD1 3.5Å; Y71-L75 HydrophobicContact CE1-CG 4.27Å; Y71-L75 HydrophobicContact CE2-CD1 4.46Å; Y71-L75 HydrophobicContact CE2-CG 4.46Å; Y71-L75 PolarHBondContact O-N 3.34Å; Y71-L75 VanDerWaalsContact O-N 3.11Å; A72-L75 PolarHBondContact O-N 3.29Å; L75-D79 PolarHBondContact O-N 2.63Å
76A96.2Very high94.6Very high0 Ų047.2 Ų47.20%023%0.233CC..Hα-helixtrans-64.2-45.4176.300000111.4V41 V55 K60 A72 A73 M74 Q78 D79 V80V41-A76 HydrophobicContact CG2-CB 4.31Å; V55-A76 HydrophobicContact CB-CB 4.35Å; V55-A76 HydrophobicContact CG1-CB 3.81Å; K60-A76 HydrophobicContact CG-CB 4.32Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 2.98Å; A73-A76 PolarHBondContact O-N 3.12Å; M74-A76 VanDerWaalsContact C-N 3.32Å; M74-A76 PolarHBondContact O-N 3.14Å; A76-Q78 PolarHBondContact O-N 3.4Å; A76-D79 PolarHBondContact O-N 2.91Å; A76-V80 WeakPolarHBondContact O-CG2 3.42Å; A76-V80 PolarHBondContact O-N 3.4Å
77A96.2Very high94.3Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-63.2-38.6177.300000113.2V41 A73 M74 V80 A81 A114 A117 L118V41-A77 HydrophobicContact CG2-CB 4.42Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 3.11Å; M74-A77 PolarHBondContact O-N 3.21Å; A77-V80 PolarHBondContact O-N 2.95Å; A77-A81 WeakPolarHBondContact O-CB 3.11Å; A77-A81 PolarHBondContact O-N 3.15Å; A77-A114 HydrophobicContact CB-CB 4.4Å; A77-A114 WeakPolarHBondContact CB-O 3.09Å; A77-A117 HydrophobicContact CB-CB 3.57Å; A77-L118 HydrophobicContact CB-CD2 4.16Å; A77-L118 HydrophobicContact CB-CG 3.98Å; A77-L118 WeakPolarHBondContact O-CD2 3.5Å
78Q95.7Very high93.9Very high89 Ų8946.1 Ų46.142%0.41624%0.237SC..Hα-helixtrans-63.9-45.8176.8-75174.1-20.600112.2M74 A76 V80 A81 E82M74-Q78 WeakPolarHBondContact O-CG 3.21Å; M74-Q78 PolarHBondContact O-N 3.13Å; A76-Q78 PolarHBondContact O-N 3.4Å; Q78-V80 PolarHBondContact O-N 3.49Å; Q78-A81 PolarHBondContact O-N 3.26Å; Q78-E82 PolarHBondContact O-N 2.89Å
79D95.3Very high93.8Very high24 Ų2446 Ų4613%0.12824%0.235CC..Hα-helixtrans-62.8-42.6176.8-176.212.6000111.5V55 K60 L75 A76 A81 E82 R83V55-D79 HydrophobicContact CG2-CB 4.48Å; K60-D79 VanDerWaalsContact CE-OD2 3.3Å; K60-D79 WeakPolarHBondContact CE-OD2 3.32Å; K60-D79 VanDerWaalsContact NZ-CG 3.34Å; K60-D79 IonicContact NZ-OD2 2.67Å; K60-D79 PolarHBondContact NZ-OD2 2.96Å; L75-D79 PolarHBondContact O-N 2.63Å; A76-D79 PolarHBondContact O-N 2.91Å; D79-A81 VanDerWaalsContact C-N 3.34Å; D79-A81 PolarHBondContact O-N 3.34Å; D79-E82 PolarHBondContact O-N 3.32Å; D79-R83 WeakPolarHBondContact O-CG 3.27Å; D79-R83 PolarHBondContact O-N 3.32Å; D79-R83 VanDerWaalsContact O-N 3.09Å; D79-R83 IonicContact OD1-CZ 3.4Å; D79-R83 IonicContact OD1-NE 2.8Å; D79-R83 PolarHBondContact OD1-NE 3.25Å; D79-R83 IonicContact OD1-NH2 3.18Å; D79-R83 PolarHBondContact OD1-NH2 3Å; D79-R83 IonicContact OD2-CZ 3.6Å; D79-R83 IonicContact OD2-NE 3.74Å; D79-R83 IonicContact OD2-NH2 2.82Å; D79-R83 PolarHBondContact OD2-NH2 3.4Å
80V95.5Very high93.5Very high0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-58.2-46.3173.6159.90000111.7V41 V43 V55 A76 A77 Q78 E82 R83 C84 L118V41-V80 HydrophobicContact CB-CG2 4.01Å; V41-V80 HydrophobicContact CG1-CB 4.05Å; V41-V80 HydrophobicContact CG1-CG1 3.85Å; V41-V80 HydrophobicContact CG1-CG2 3.86Å; V43-V80 HydrophobicContact CG2-CG1 3.4Å; V43-V80 VanDerWaalsContact CG2-CG1 3.4Å; V55-V80 HydrophobicContact CB-CG2 3.77Å; V55-V80 HydrophobicContact CG2-CG2 3.58Å; A76-V80 WeakPolarHBondContact O-CG2 3.42Å; A76-V80 PolarHBondContact O-N 3.4Å; A77-V80 PolarHBondContact O-N 2.95Å; Q78-V80 PolarHBondContact O-N 3.49Å; V80-E82 PolarHBondContact O-N 3.43Å; V80-R83 PolarHBondContact O-N 3.18Å; V80-C84 WeakPolarHBondContact O-CB 3.37Å; V80-C84 PolarHBondContact O-N 2.89Å; V80-C84 PolarHBondContact O-SG 3.47Å; V80-L118 HydrophobicContact CG1-CD2 4.07Å
81A95Very high93.4Very high1 Ų144.5 Ų44.51%0.00822%0.224CC..Hα-helixtrans-63.8-40.2-179.100000112.7A77 Q78 D79 C84 K85 L118 S121 M123A77-A81 WeakPolarHBondContact O-CB 3.11Å; A77-A81 PolarHBondContact O-N 3.15Å; Q78-A81 PolarHBondContact O-N 3.26Å; D79-A81 VanDerWaalsContact C-N 3.34Å; D79-A81 PolarHBondContact O-N 3.34Å; A81-C84 PolarHBondContact O-N 3.43Å; A81-K85 WeakPolarHBondContact O-CG 3.35Å; A81-K85 PolarHBondContact O-N 3.36Å; A81-L118 HydrophobicContact CB-CD2 4.32Å; A81-S121 VanDerWaalsContact CB-CB 3.48Å; A81-S121 WeakPolarHBondContact CB-OG 3.37Å; A81-M123 HydrophobicContact CB-CG 3.97Å; A81-M123 HydrophobicContact CB-SD 4.48Å
82E93.5Very high93.4Very high143 Ų14337.8 Ų37.867%0.66820%0.197SC*.Hα-helixtrans-61.7-46.4176.3-170.6174.7-177.300111.5Q78 D79 V80 C84 K85 A86Q78-E82 PolarHBondContact O-N 2.89Å; D79-E82 PolarHBondContact O-N 3.32Å; V80-E82 PolarHBondContact O-N 3.43Å; E82-C84 PolarHBondContact O-N 3.25Å; E82-K85 PolarHBondContact O-N 3.04Å; E82-A86 PolarHBondContact O-N 3.14Å; E82-A86 VanDerWaalsContact O-N 3.15Å
83R92.2Very high93.4Very high109 Ų10939.7 Ų39.741%0.41121%0.206SC..Hα-helixtrans-64.5-40.5176.2-65.5179.9-161.6-162.16.5112.6C53 D79 V80 K85 A86 V87C53-R83 HydrophobicContact CB-CB 4.24Å; D79-R83 WeakPolarHBondContact O-CG 3.27Å; D79-R83 PolarHBondContact O-N 3.32Å; D79-R83 VanDerWaalsContact O-N 3.09Å; D79-R83 IonicContact OD1-CZ 3.4Å; D79-R83 IonicContact OD1-NE 2.8Å; D79-R83 PolarHBondContact OD1-NE 3.25Å; D79-R83 IonicContact OD1-NH2 3.18Å; D79-R83 PolarHBondContact OD1-NH2 3Å; D79-R83 IonicContact OD2-CZ 3.6Å; D79-R83 IonicContact OD2-NE 3.74Å; D79-R83 IonicContact OD2-NH2 2.82Å; D79-R83 PolarHBondContact OD2-NH2 3.4Å; V80-R83 PolarHBondContact O-N 3.18Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 2.54Å; R83-A86 PolarHBondContact O-N 2.79Å; R83-V87 WeakPolarHBondContact O-CG2 3.38Å; R83-V87 PolarHBondContact O-N 3.01Å
84C92.2Very high93.4Very high0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-61.1-39.9176.5-75.90000112.1C53 V80 A81 E82 V87 G88 I89 M123C53-C84 VanDerWaalsContact SG-SG 3.64Å; V80-C84 WeakPolarHBondContact O-CB 3.37Å; V80-C84 PolarHBondContact O-N 2.89Å; V80-C84 PolarHBondContact O-SG 3.47Å; A81-C84 PolarHBondContact O-N 3.43Å; E82-C84 PolarHBondContact O-N 3.25Å; C84-V87 PolarHBondContact O-N 2.99Å; C84-G88 PolarHBondContact O-N 3.35Å; C84-G88 VanDerWaalsContact O-N 3.12Å; C84-I89 HydrophobicContact CB-CB 4.17Å; C84-I89 HydrophobicContact CB-CD1 4.33Å; C84-I89 PolarHBondContact O-N 2.9Å; C84-M123 HydrophobicContact CB-CE 3.53Å; C84-M123 HydrophobicContact CB-SD 4.3Å
85K88.9Confident93.4Very high117 Ų11740 Ų4051%0.50921%0.206SC..Hα-helixtrans-64.9-40.6175.4-73.3177.1-176.1-176.90112.2A81 E82 R83 V87 G88 S121 M123A81-K85 WeakPolarHBondContact O-CG 3.35Å; A81-K85 PolarHBondContact O-N 3.36Å; E82-K85 PolarHBondContact O-N 3.04Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 2.54Å; K85-V87 PolarHBondContact O-N 2.72Å; K85-G88 PolarHBondContact O-N 2.77Å; K85-S121 WeakPolarHBondContact CE-O 3.43Å; K85-S121 PolarHBondContact NZ-O 3.47Å; K85-M123 HydrophobicContact CG-SD 4.17Å
86A88.1Confident93.5Very high53 Ų5339.6 Ų39.644%0.43820%0.204SC..Hα-helixtrans-61.3-33.3176.600000112.6E82 R83 G88E82-A86 PolarHBondContact O-N 3.14Å; E82-A86 VanDerWaalsContact O-N 3.15Å; R83-A86 PolarHBondContact O-N 2.79Å; A86-G88 VanDerWaalsContact C-N 3.34Å
87V87.6Confident93.5Very high63 Ų6345 Ų4538%0.38222%0.224SC..Hα-helixtrans-81.9-13175.7-1800000112.6A17 I52 R83 C84 K85A17-V87 WeakPolarHBondContact CB-O 3.5Å; I52-V87 HydrophobicContact CG2-CB 4.23Å; I52-V87 HydrophobicContact CG2-CG1 4.08Å; I52-V87 HydrophobicContact CG2-CG2 3.96Å; R83-V87 WeakPolarHBondContact O-CG2 3.38Å; R83-V87 PolarHBondContact O-N 3.01Å; C84-V87 PolarHBondContact O-N 2.99Å; K85-V87 PolarHBondContact O-N 2.72Å
88G88.3Confident93.5Very high26 Ų2645 Ų4527%0.26822%0.224SC..THydrogen-bonded Turntrans88.321.8-179.900000114.8R26 C84 K85 A86R26-G88 WeakPolarHBondContact CB-O 3.45Å; C84-G88 PolarHBondContact O-N 3.35Å; C84-G88 VanDerWaalsContact O-N 3.12Å; K85-G88 PolarHBondContact O-N 2.77Å; A86-G88 VanDerWaalsContact C-N 3.34Å
89I91.1Very high93.6Very high5 Ų542.2 Ų42.23%0.02621%0.214CC..  trans-81.7127.4169.7-56.8170.7000108.5R26 V43 I52 C84 A91 L92 M123R26-I89 WeakPolarHBondContact O-CG2 3.28Å; V43-I89 HydrophobicContact CG1-CD1 4.1Å; I52-I89 HydrophobicContact CB-CD1 4.35Å; I52-I89 HydrophobicContact CD1-CD1 3.27Å; I52-I89 HydrophobicContact CD1-CG1 4.3Å; I52-I89 HydrophobicContact CG1-CD1 4.33Å; I52-I89 HydrophobicContact CG2-CD1 3.97Å; C84-I89 HydrophobicContact CB-CB 4.17Å; C84-I89 HydrophobicContact CB-CD1 4.33Å; C84-I89 PolarHBondContact O-N 2.9Å; I89-A91 VanDerWaalsContact CG2-O 3.3Å; I89-A91 WeakPolarHBondContact CG2-O 3.14Å; I89-L92 HydrophobicContact CG2-CD2 3.85Å; I89-M123 HydrophobicContact CB-CE 4.28Å; I89-M123 HydrophobicContact CG2-CE 3.91Å; I89-M123 WeakPolarHBondContact O-CE 3.31Å
90T90.2Very high93.5Very high59 Ų5941.3 Ų41.336%0.36221%0.21SC..  trans-113.6-19.7-177.754.60000113V25 R26 K124V25-T90 VanDerWaalsContact CA-OG1 3.31Å; V25-T90 WeakPolarHBondContact CA-OG1 3.46Å; R26-T90 PolarHBondContact N-OG1 3.33Å; R26-T90 PolarHBondContact O-N 2.84Å; R26-T90 VanDerWaalsContact O-N 3.16Å; T90-K124 PolarHBondContact O-N 3.4Å
91A94Very high93.4Very high1 Ų142.5 Ų42.51%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-134.4150.1178.700000112.4V25 R26 F27 G28 I89 K124V25-A91 HydrophobicContact CB-CB 3.99Å; V25-A91 HydrophobicContact CG2-CB 4.33Å; R26-A91 PolarHBondContact O-N 3.32Å; F27-A91 CarbonylContact C-O 3.44Å; F27-A91 WeakPolarHBondContact CA-O 3.32Å; F27-A91 HydrophobicContact CD1-CB 3.52Å; F27-A91 HydrophobicContact CE1-CB 3.48Å; F27-A91 VanDerWaalsContact CE1-CB 3.48Å; F27-A91 HydrophobicContact CE2-CB 4.49Å; F27-A91 HydrophobicContact CG-CB 4.05Å; F27-A91 HydrophobicContact CZ-CB 4Å; G28-A91 PolarHBondContact N-O 2.72Å; I89-A91 VanDerWaalsContact CG2-O 3.3Å; I89-A91 WeakPolarHBondContact CG2-O 3.14Å; A91-K124 CarbonylContact C-O 3.54Å; A91-K124 WeakPolarHBondContact CA-O 3.47Å; A91-K124 HydrophobicContact CB-CB 3.86Å
92L96Very high93.3Very high0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-131.7127.6-180-65.4172.5000110.9G28 A30 V43 I89 L118 M123 K124 G126G28-L92 CarbonylContact O-C 3.46Å; G28-L92 WeakPolarHBondContact O-CA 3.45Å; A30-L92 HydrophobicContact CB-CB 4.28Å; A30-L92 HydrophobicContact CB-CD1 4.21Å; V43-L92 HydrophobicContact CG1-CD2 3.6Å; V43-L92 HydrophobicContact CG2-CD1 4.42Å; V43-L92 HydrophobicContact CG2-CD2 4.26Å; I89-L92 HydrophobicContact CG2-CD2 3.85Å; L92-L118 HydrophobicContact CD1-CD1 4.45Å; L92-L118 HydrophobicContact CD1-CD2 4.25Å; L92-M123 HydrophobicContact CD1-CB 4.16Å; L92-M123 HydrophobicContact CD1-CE 3.7Å; L92-M123 HydrophobicContact CD1-CG 4.13Å; L92-M123 HydrophobicContact CD2-CE 4.23Å; L92-M123 HydrophobicContact CG-CE 3.74Å; L92-K124 PolarHBondContact N-O 3.08Å; L92-G126 PolarHBondContact O-N 3.39Å
93H96.6Very high93.4Very high41 Ų4143.8 Ų43.819%0.1923%0.229CC..EExtended strand (participates in β ladder)trans-75.7140.2158-69.2-64.3000109.3F27 G28 V29 A30 R127F27-H93 AromaticContact CD1-CD2 3.63Å; F27-H93 AromaticContact CD1-CE1 3.82Å; F27-H93 AromaticContact CD1-NE2 3.31Å; F27-H93 VanDerWaalsContact CD1-NE2 3.31Å; F27-H93 WeakPolarHBondContact CD1-NE2 3.3Å; F27-H93 AromaticContact CE1-CE1 3.81Å; F27-H93 AromaticContact CE1-NE2 3.74Å; F27-H93 AromaticContact CG-NE2 3.69Å; G28-H93 PolarHBondContact O-N 3.44Å; V29-H93 CarbonylContact C-O 3.58Å; V29-H93 WeakPolarHBondContact CA-O 3.38Å; V29-H93 HydrophobicContact CG1-CB 4.5Å; V29-H93 HydrophobicContact CG2-CB 4.3Å; A30-H93 PolarHBondContact N-O 3.19Å; H93-R127 PolarHBondContact ND1-N 3.3Å; H93-R127 VanDerWaalsContact ND1-N 3.14Å
94I96.8Very high93.5Very high1 Ų141.6 Ų41.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.7125.2-178.6-58.7-177.1000109.3I32 L115 I125 R127 I128 E129I32-I94 HydrophobicContact CD1-CG2 3.85Å; I32-I94 HydrophobicContact CG1-CG2 4.38Å; I94-L115 HydrophobicContact CD1-CD1 3.52Å; I94-L115 HydrophobicContact CD1-CG 3.62Å; I94-L115 HydrophobicContact CG2-CD1 4.18Å; I94-I125 HydrophobicContact CD1-CD1 4.07Å; I94-I125 HydrophobicContact CD1-CG1 4.48Å; I94-I125 HydrophobicContact CD1-CG2 3.57Å; I94-I125 HydrophobicContact CG1-CG2 4.09Å; I94-R127 PolarHBondContact N-O 3.44Å; I94-I128 HydrophobicContact CB-CG1 4.24Å; I94-I128 HydrophobicContact CB-CG2 4.34Å; I94-I128 HydrophobicContact CD1-CG1 4.34Å; I94-I128 HydrophobicContact CG2-CG2 4.38Å; I94-I128 WeakPolarHBondContact O-CA 3.4Å; I94-E129 PolarHBondContact O-N 2.69Å
95K97.1Very high93.6Very high66 Ų6646.5 Ų46.529%0.28725%0.249SC..EExtended strand (participates in β ladder)trans-112.498.7167.8-73.2-174.4175.8179.50108.4V29 A30 I32 E129 V131V29-K95 HydrophobicContact CG1-CB 4.48Å; V29-K95 HydrophobicContact CG1-CD 3.8Å; V29-K95 HydrophobicContact CG1-CG 3.97Å; A30-K95 PolarHBondContact O-N 3.04Å; I32-K95 PolarHBondContact N-O 3.09Å; K95-E129 CarbonylContact C-O 3.57Å; K95-E129 WeakPolarHBondContact CA-O 3.34Å; K95-V131 HydrophobicContact CB-CG1 4.18Å; K95-V131 HydrophobicContact CB-CG2 3.85Å; K95-V131 HydrophobicContact CD-CG1 4.08Å; K95-V131 HydrophobicContact CG-CG1 4.05Å
96L96.3Very high93.9Very high34 Ų3445.4 Ų45.418%0.17825%0.252CS..EExtended strand (participates in β ladder)trans-80136.1177-171.865.5000109.4I32 P107 A111 E129 D130 V131I32-L96 HydrophobicContact CB-CD1 3.99Å; I32-L96 HydrophobicContact CG2-CD1 3.81Å; L96-P107 HydrophobicContact CD2-CB 4.3Å; L96-P107 HydrophobicContact CD2-CG 3.9Å; L96-P107 HydrophobicContact CG-CG 4.41Å; L96-A111 HydrophobicContact CD1-CB 3.85Å; L96-E129 PolarHBondContact N-O 3.49Å; L96-D130 WeakPolarHBondContact O-CA 3.45Å; L96-V131 WeakPolarHBondContact O-CG2 3.19Å; L96-V131 PolarHBondContact O-N 2.9Å
97R97.3Very high94.2Very high112 Ų11245 Ų4542%0.42325%0.245SC..EExtended strand (participates in β ladder)trans-138.8119.9-178.2-171.9-177.3170.4-151.91.5110.5I32 F33 A34 V131I32-R97 PolarHBondContact O-N 3.02Å; F33-R97 CarbonylContact C-O 3.59Å; F33-R97 WeakPolarHBondContact CA-O 3.35Å; F33-R97 HydrophobicContact CD2-CB 4.17Å; F33-R97 HydrophobicContact CD2-CG 3.89Å; F33-R97 HydrophobicContact CE2-CG 4.49Å; A34-R97 PolarHBondContact N-O 3.32Å; R97-V131 HydrophobicContact CB-CG2 3.99Å; R97-V131 HydrophobicContact CG-CG2 4.41Å
98A96.9Very high94.6Very high0 Ų042.2 Ų42.20%023%0.229CC..  trans-82.4175.9163.300000111.1G100 K105 P107 T132A98-G100 VanDerWaalsContact C-N 3.3Å; A98-G100 PolarHBondContact O-N 2.85Å; A98-K105 WeakPolarHBondContact CB-O 3.36Å; A98-P107 HydrophobicContact CB-CB 4.48Å; A98-P107 HydrophobicContact CB-CG 4.28Å; A98-T132 HydrophobicContact CB-CG2 3.8Å; A98-T132 WeakPolarHBondContact CB-OG1 3.45Å; A98-T132 PolarHBondContact N-OG1 3.41Å
99T96Very high94.9Very high32 Ų3244 Ų4420%0.19624%0.236CC..SBendtrans-55.6-46.1178.5-47.90000112.2K103T99-K103 HydrophobicContact CG2-CB 3.91Å; T99-K103 HydrophobicContact CG2-CD 3.48Å; T99-K103 VanDerWaalsContact CG2-CD 3.48Å; T99-K103 HydrophobicContact CG2-CG 4.33Å
100G94.1Very high95.1Very high4 Ų443.8 Ų43.84%0.04124%0.235CC..  trans61.1-162.4174.100000115A98 T102 K103 T104A98-G100 VanDerWaalsContact C-N 3.3Å; A98-G100 PolarHBondContact O-N 2.85Å; G100-T102 PolarHBondContact O-N 2.82Å; G100-K103 WeakPolarHBondContact O-CB 3.36Å; G100-K103 PolarHBondContact O-N 3.11Å; G100-K103 VanDerWaalsContact O-N 3.08Å; G100-T104 PolarHBondContact N-O 2.88Å
101G93.7Very high95.3Very high26 Ų2641.5 Ų41.527%0.26822%0.222SC..THydrogen-bonded Turntrans63.9-125.1-173.200000111.4K103 P133G101-K103 VanDerWaalsContact C-N 3.29Å; G101-P133 PolarHBondContact N-O 2.93Å
102T93.1Very high95.4Very high39 Ų3946.3 Ų46.324%0.23924%0.244CC..THydrogen-bonded Turntrans-82.2-5.6175.354.60000113.8G100 T139 R141G100-T102 PolarHBondContact O-N 2.82Å; T102-T139 WeakPolarHBondContact CG2-O 3.41Å; T102-T139 WeakPolarHBondContact CG2-OG1 3.43Å; T102-R141 WeakPolarHBondContact O-CG 3.49Å
103K94.2Very high95.4Very high131 Ų13147.7 Ų47.757%0.5725%0.254SS*.SBendtrans-98.5-162.6-177.4-62.4178.8178.6175.70110.9T99 G100 G101 K105T99-K103 HydrophobicContact CG2-CB 3.91Å; T99-K103 HydrophobicContact CG2-CD 3.48Å; T99-K103 VanDerWaalsContact CG2-CD 3.48Å; T99-K103 HydrophobicContact CG2-CG 4.33Å; G100-K103 WeakPolarHBondContact O-CB 3.36Å; G100-K103 PolarHBondContact O-N 3.11Å; G100-K103 VanDerWaalsContact O-N 3.08Å; G101-K103 VanDerWaalsContact C-N 3.29Å; K103-K105 PolarHBondContact O-N 3.46Å
104T94Very high95.4Very high64 Ų6445.7 Ų45.739%0.39325%0.245SC..  trans-67.4130.2-178.957.10000111.1F36 G100F36-T104 HydrophobicContact CD2-CG2 4.44Å; F36-T104 HydrophobicContact CE2-CG2 4.02Å; F36-T104 WeakPolarHBondContact CE2-OG1 3.48Å; G100-T104 PolarHBondContact N-O 2.88Å
105K95Very high95.3Very high102 Ų10247.8 Ų47.844%0.44326%0.256SS..  trans-89.4-13.6174.8-59.4177.9-177.9-1790112.4A98 K103 T132A98-K105 WeakPolarHBondContact CB-O 3.36Å; K103-K105 PolarHBondContact O-N 3.46Å; K105-T132 HydrophobicContact CB-CG2 4.25Å
106T95.6Very high95.3Very high95 Ų9550.5 Ų50.558%0.58326%0.264SS*.SBendtrans-74.8128.6175.3-44.30000109.9
107P94.9Very high95.2Very high43 Ų4349.1 Ų49.128%0.27926%0.258SS..PPolyproline II helixtrans-58.6145.3173-23.433.3000111.9A34 L96 A98 A111A34-P107 HydrophobicContact CB-CB 4.41Å; L96-P107 HydrophobicContact CD2-CB 4.3Å; L96-P107 HydrophobicContact CD2-CG 3.9Å; L96-P107 HydrophobicContact CG-CG 4.41Å; A98-P107 HydrophobicContact CB-CB 4.48Å; A98-P107 HydrophobicContact CB-CG 4.28Å; P107-A111 HydrophobicContact CB-CB 3.77Å
108G94.8Very high95.1Very high5 Ų543.8 Ų43.85%0.05224%0.238CC..PPolyproline II helixtrans-70.5171.717600000114.1A34 S35 G110 A111A34-G108 PolarHBondContact O-N 3.45Å; S35-G108 WeakPolarHBondContact O-CA 3.43Å; G108-G110 VanDerWaalsContact C-N 3.29Å; G108-G110 PolarHBondContact O-N 3.1Å; G108-A111 VanDerWaalsContact O-CB 3.31Å; G108-A111 WeakPolarHBondContact O-CB 3.26Å; G108-A111 PolarHBondContact O-N 3.47Å; G108-A111 VanDerWaalsContact O-N 3.12Å
109P95.5Very high95Very high64 Ų6446 Ų4642%0.41626%0.256SS..THydrogen-bonded Turntrans-61-30.4-171.120.4-30.5000114.6A68 P70 A111A68-P109 HydrophobicContact CB-CG 4.28Å; A68-P109 WeakPolarHBondContact O-CG 3.43Å; P70-P109 HydrophobicContact CG-CB 4.35Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.25Å
110G94.8Very high95Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-76.7-6.3178.900000115.7A73 G108 S113 A114A73-G110 WeakPolarHBondContact CB-O 3.46Å; G108-G110 VanDerWaalsContact C-N 3.29Å; G108-G110 PolarHBondContact O-N 3.1Å; G110-S113 PolarHBondContact O-N 3.46Å; G110-A114 WeakPolarHBondContact O-CB 3.5Å; G110-A114 PolarHBondContact O-N 2.95Å
111A95.4Very high95Very high11 Ų1154.6 Ų54.69%0.09129%0.288CS..Hα-helixtrans-56-55.1-179.600000112.8A34 L96 P107 G108 P109 L115A34-A111 HydrophobicContact CB-CB 3.6Å; L96-A111 HydrophobicContact CD1-CB 3.85Å; P107-A111 HydrophobicContact CB-CB 3.77Å; G108-A111 VanDerWaalsContact O-CB 3.31Å; G108-A111 WeakPolarHBondContact O-CB 3.26Å; G108-A111 PolarHBondContact O-N 3.47Å; G108-A111 VanDerWaalsContact O-N 3.12Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.25Å; A111-L115 PolarHBondContact O-N 3.29Å
112Q95.6Very high94.8Very high103 Ų10356 Ų5648%0.48130%0.302SS..Hα-helixtrans-67.6-40.5-175.9-159-77.9-68.600110.6R116Q112-R116 VanDerWaalsContact O-CB 3.29Å; Q112-R116 WeakPolarHBondContact O-CB 3.49Å; Q112-R116 PolarHBondContact O-N 2.75Å
113S95.6Very high94.8Very high28 Ų2854.5 Ų54.520%0.19629%0.292CS..Hα-helixtrans-66.9-43.5-179.6-63.20000112.9P70 G110 R116 A117P70-S113 WeakPolarHBondContact CB-OG 3.31Å; P70-S113 WeakPolarHBondContact O-CB 3.48Å; G110-S113 PolarHBondContact O-N 3.46Å; S113-R116 PolarHBondContact O-N 2.97Å; S113-A117 WeakPolarHBondContact O-CB 3.15Å; S113-A117 PolarHBondContact O-N 3.24Å
114A96Very high94.8Very high0 Ų054.3 Ų54.30%029%0.292CS..Hα-helixtrans-61.2-48.117600000111.6I32 V41 A73 A77 G110 R116 A117 L118I32-A114 HydrophobicContact CD1-CB 4.45Å; I32-A114 HydrophobicContact CG2-CB 4.23Å; V41-A114 HydrophobicContact CG2-CB 3.99Å; A73-A114 HydrophobicContact CB-CB 4.27Å; A77-A114 HydrophobicContact CB-CB 4.4Å; A77-A114 WeakPolarHBondContact CB-O 3.09Å; G110-A114 WeakPolarHBondContact O-CB 3.5Å; G110-A114 PolarHBondContact O-N 2.95Å; A114-R116 PolarHBondContact O-N 2.96Å; A114-A117 PolarHBondContact O-N 2.9Å; A114-L118 WeakPolarHBondContact O-CG 3.42Å; A114-L118 PolarHBondContact O-N 2.86Å
115L95.6Very high94.9Very high44 Ų4454.1 Ų54.123%0.2329%0.287CS..Hα-helixtrans-60.4-46.3178.7-176.7148.2000111.8I32 I94 A111 A117 L118 A119 I128I32-L115 HydrophobicContact CD1-CB 4.32Å; I94-L115 HydrophobicContact CD1-CD1 3.52Å; I94-L115 HydrophobicContact CD1-CG 3.62Å; I94-L115 HydrophobicContact CG2-CD1 4.18Å; A111-L115 PolarHBondContact O-N 3.29Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.8Å; L115-L118 PolarHBondContact O-N 3.42Å; L115-A119 PolarHBondContact O-N 2.88Å; L115-A119 VanDerWaalsContact O-N 3.1Å; L115-I128 HydrophobicContact CD1-CD1 4.36Å
116R96.1Very high94.8Very high123 Ų12350.5 Ų50.546%0.46428%0.279SS..Hα-helixtrans-64.1-38.8177.7178.6177.6-89.7-175.9-6.4111.8Q112 S113 A114 A119 R120Q112-R116 VanDerWaalsContact O-CB 3.29Å; Q112-R116 WeakPolarHBondContact O-CB 3.49Å; Q112-R116 PolarHBondContact O-N 2.75Å; S113-R116 PolarHBondContact O-N 2.97Å; A114-R116 PolarHBondContact O-N 2.96Å; R116-A119 PolarHBondContact O-N 2.82Å; R116-R120 WeakPolarHBondContact O-CB 3.29Å; R116-R120 WeakPolarHBondContact O-CG 3.49Å; R116-R120 PolarHBondContact O-N 3.14Å
117A95.7Very high94.8Very high6 Ų654.7 Ų54.75%0.0528%0.284CS..Hα-helixtrans-66.9-41.817800000112M74 A77 S113 A114 L115 A119 R120 S121M74-A117 HydrophobicContact CB-CB 4.34Å; M74-A117 HydrophobicContact CG-CB 3.93Å; A77-A117 HydrophobicContact CB-CB 3.57Å; S113-A117 WeakPolarHBondContact O-CB 3.15Å; S113-A117 PolarHBondContact O-N 3.24Å; A114-A117 PolarHBondContact O-N 2.9Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.8Å; A117-A119 PolarHBondContact O-N 2.9Å; A117-R120 PolarHBondContact O-N 3.42Å; A117-S121 WeakPolarHBondContact O-CB 3.48Å; A117-S121 PolarHBondContact O-N 3.37Å; A117-S121 PolarHBondContact O-OG 3.32Å
118L94.8Very high94.9Very high0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-59.2-46.3173.2-72.6173.9000111.4A30 I32 V41 A77 V80 A81 L92 A114 L115 S121 M123 I125A30-L118 HydrophobicContact CB-CD1 4.28Å; I32-L118 HydrophobicContact CD1-CD1 4.08Å; V41-L118 HydrophobicContact CG1-CD1 4.21Å; V41-L118 HydrophobicContact CG1-CD2 4.49Å; A77-L118 HydrophobicContact CB-CD2 4.16Å; A77-L118 HydrophobicContact CB-CG 3.98Å; A77-L118 WeakPolarHBondContact O-CD2 3.5Å; V80-L118 HydrophobicContact CG1-CD2 4.07Å; A81-L118 HydrophobicContact CB-CD2 4.32Å; L92-L118 HydrophobicContact CD1-CD1 4.45Å; L92-L118 HydrophobicContact CD1-CD2 4.25Å; A114-L118 WeakPolarHBondContact O-CG 3.42Å; A114-L118 PolarHBondContact O-N 2.86Å; L115-L118 PolarHBondContact O-N 3.42Å; L118-S121 PolarHBondContact O-N 3.12Å; L118-S121 PolarHBondContact O-OG 2.93Å; L118-M123 PolarHBondContact O-N 2.92Å; L118-I125 HydrophobicContact CB-CD1 4.5Å
119A95.2Very high95Very high47 Ų4761.5 Ų61.539%0.38831%0.314SS..Hα-helixtrans-62.2-45.6176.600000112.3L115 R116 A117 S121 G122 I125L115-A119 PolarHBondContact O-N 2.88Å; L115-A119 VanDerWaalsContact O-N 3.1Å; R116-A119 PolarHBondContact O-N 2.82Å; A117-A119 PolarHBondContact O-N 2.9Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 3.19Å; A119-G122 PolarHBondContact O-N 2.82Å; A119-G122 VanDerWaalsContact O-N 3.15Å; A119-I125 HydrophobicContact CB-CD1 4.44Å; A119-I125 HydrophobicContact CB-CG1 4.02Å
120R95.3Very high95Very high190 Ų19063.4 Ų63.472%0.71732%0.32SS*.Hα-helixtrans-65.4-28.1178.5-75.9-179.8176.8177.2-3.2113.6R116 A117 G122R116-R120 WeakPolarHBondContact O-CB 3.29Å; R116-R120 WeakPolarHBondContact O-CG 3.49Å; R116-R120 PolarHBondContact O-N 3.14Å; A117-R120 PolarHBondContact O-N 3.42Å; R120-G122 PolarHBondContact O-N 2.84Å
121S93.2Very high95.1Very high26 Ų2666 Ų6618%0.18234%0.336CS..THydrogen-bonded Turntrans-73.2-3.2176.771.80000113.5A81 K85 A117 L118 A119A81-S121 VanDerWaalsContact CB-CB 3.48Å; A81-S121 WeakPolarHBondContact CB-OG 3.37Å; K85-S121 WeakPolarHBondContact CE-O 3.43Å; K85-S121 PolarHBondContact NZ-O 3.47Å; A117-S121 WeakPolarHBondContact O-CB 3.48Å; A117-S121 PolarHBondContact O-N 3.37Å; A117-S121 PolarHBondContact O-OG 3.32Å; L118-S121 PolarHBondContact O-N 3.12Å; L118-S121 PolarHBondContact O-OG 2.93Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 3.19Å
122G90.9Very high95.2Very high55 Ų5566 Ų6657%0.56734%0.335SS*.THydrogen-bonded Turntrans92.710.8176.200000114.8A119 R120A119-G122 PolarHBondContact O-N 2.82Å; A119-G122 VanDerWaalsContact O-N 3.15Å; R120-G122 PolarHBondContact O-N 2.84Å
123M93.2Very high95.2Very high7 Ų763.4 Ų63.43%0.03433%0.327CS..PPolyproline II helixtrans-76.3130.3170.4-57.7-60-75.600109.4A81 C84 K85 I89 L92 L118 I125A81-M123 HydrophobicContact CB-CG 3.97Å; A81-M123 HydrophobicContact CB-SD 4.48Å; C84-M123 HydrophobicContact CB-CE 3.53Å; C84-M123 HydrophobicContact CB-SD 4.3Å; K85-M123 HydrophobicContact CG-SD 4.17Å; I89-M123 HydrophobicContact CB-CE 4.28Å; I89-M123 HydrophobicContact CG2-CE 3.91Å; I89-M123 WeakPolarHBondContact O-CE 3.31Å; L92-M123 HydrophobicContact CD1-CB 4.16Å; L92-M123 HydrophobicContact CD1-CE 3.7Å; L92-M123 HydrophobicContact CD1-CG 4.13Å; L92-M123 HydrophobicContact CD2-CE 4.23Å; L92-M123 HydrophobicContact CG-CE 3.74Å; L118-M123 PolarHBondContact O-N 2.92Å; M123-I125 PolarHBondContact O-N 2.82Å
124K94.1Very high95.2Very high128 Ų12867.9 Ų67.956%0.55735%0.347SS*.EExtended strand (participates in β ladder)trans-71.9126.2173.9-70.4179.9176.1-1780109.7V25 T90 A91 L92V25-K124 HydrophobicContact CG1-CD 3.66Å; T90-K124 PolarHBondContact O-N 3.4Å; A91-K124 CarbonylContact C-O 3.54Å; A91-K124 WeakPolarHBondContact CA-O 3.47Å; A91-K124 HydrophobicContact CB-CB 3.86Å; L92-K124 PolarHBondContact N-O 3.08Å
125I95.2Very high95.1Very high59 Ų5969.9 Ų69.930%0.30336%0.36SS..EExtended strand (participates in β ladder)trans-89.2124.3179.5-54.3-49000109.2I94 L118 A119 M123 I128I94-I125 HydrophobicContact CD1-CD1 4.07Å; I94-I125 HydrophobicContact CD1-CG1 4.48Å; I94-I125 HydrophobicContact CD1-CG2 3.57Å; I94-I125 HydrophobicContact CG1-CG2 4.09Å; L118-I125 HydrophobicContact CB-CD1 4.5Å; A119-I125 HydrophobicContact CB-CD1 4.44Å; A119-I125 HydrophobicContact CB-CG1 4.02Å; M123-I125 PolarHBondContact O-N 2.82Å; I125-I128 HydrophobicContact CG2-CD1 4.1Å; I125-I128 HydrophobicContact CG2-CG1 4.03Å
126G94Very high95Very high27 Ų2774.5 Ų74.528%0.27840%0.396SS..EExtended strand (participates in β ladder)trans-90.6-138.4173.600000111.9L92L92-G126 PolarHBondContact O-N 3.39Å
127R95.9Very high94.9Very high182 Ų18275.8 Ų75.869%0.68741%0.413SS*.EExtended strand (participates in β ladder)trans-62.4140.6174.7-59.2-177.6-178.4179.90.8111.8H93 I94H93-R127 PolarHBondContact ND1-N 3.3Å; H93-R127 VanDerWaalsContact ND1-N 3.14Å; I94-R127 PolarHBondContact N-O 3.44Å
128I96.5Very high94.7Very high103 Ų10378 Ų7853%0.52843%0.427SS..EExtended strand (participates in β ladder)trans-116122.4175.4-55.1173.4000107.1I94 L115 I125I94-I128 HydrophobicContact CB-CG1 4.24Å; I94-I128 HydrophobicContact CB-CG2 4.34Å; I94-I128 HydrophobicContact CD1-CG1 4.34Å; I94-I128 HydrophobicContact CG2-CG2 4.38Å; I94-I128 WeakPolarHBondContact O-CA 3.4Å; L115-I128 HydrophobicContact CD1-CD1 4.36Å; I125-I128 HydrophobicContact CG2-CD1 4.1Å; I125-I128 HydrophobicContact CG2-CG1 4.03Å
129E96.7Very high94.6Very high89 Ų8983.2 Ų83.242%0.41646%0.46SS..EExtended strand (participates in β ladder)trans-129.6140.8-179.2-68172.5-174.600109.8I94 K95 L96I94-E129 PolarHBondContact O-N 2.69Å; K95-E129 CarbonylContact C-O 3.57Å; K95-E129 WeakPolarHBondContact CA-O 3.34Å; L96-E129 PolarHBondContact N-O 3.49Å
130D95.8Very high94.6Very high103 Ų10390.8 Ų90.855%0.55148%0.478SS*.EExtended strand (participates in β ladder)trans-90.1119.2167.4-175.37.8000108.9L96 T132L96-D130 WeakPolarHBondContact O-CA 3.45Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 PolarHBondContact OD1-N 2.59Å; D130-T132 PolarHBondContact OD1-OG1 2.91Å
131V96.4Very high94.5Very high56 Ų5690.1 Ų90.134%0.33948%0.476SS..  trans-113.625178.4-59.50000111.2K95 L96 R97K95-V131 HydrophobicContact CB-CG1 4.18Å; K95-V131 HydrophobicContact CB-CG2 3.85Å; K95-V131 HydrophobicContact CD-CG1 4.08Å; K95-V131 HydrophobicContact CG-CG1 4.05Å; L96-V131 WeakPolarHBondContact O-CG2 3.19Å; L96-V131 PolarHBondContact O-N 2.9Å; R97-V131 HydrophobicContact CB-CG2 3.99Å; R97-V131 HydrophobicContact CG-CG2 4.41Å
132T96.6Very high94.3Very high10 Ų1098.6 Ų98.66%0.06151%0.509CS..  trans-55.9125.1172.4-63.50000109.5A98 K105 D130 I134A98-T132 HydrophobicContact CB-CG2 3.8Å; A98-T132 WeakPolarHBondContact CB-OG1 3.45Å; A98-T132 PolarHBondContact N-OG1 3.41Å; K105-T132 HydrophobicContact CB-CG2 4.25Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 PolarHBondContact OD1-N 2.59Å; D130-T132 PolarHBondContact OD1-OG1 2.91Å; T132-I134 PolarHBondContact O-N 3.09Å
133P96.2Very high94.2Very high49 Ų4998 Ų9832%0.31850%0.503SS..  trans-67.3113.8-177.422.7-29.4000110G101G101-P133 PolarHBondContact N-O 2.93Å
134I95Very high94.1Very high122 Ų122100 Ų10063%0.62653%0.526SS*.  trans-105.2113.8176.7-64168.4000107.9T132T132-I134 PolarHBondContact O-N 3.09Å
135P94.2Very high93.9Very high42 Ų42105.6 Ų105.627%0.27354%0.544SS..  trans-76.8141.1177.532.1-34.2000110.9D137P135-D137 WeakPolarHBondContact CB-O 3.16Å
136S95Very high93.8Very high141 Ų141112.5 Ų112.599%0.98657%0.566SS**SBendtrans-61.9-47.4173.6-500000111.3
137D93.4Very high93.5Very high150 Ų150113.2 Ų113.280%0.80257%0.573SS**SBendtrans-135.7153.7160.1-1689.4000107.9P135P135-D137 WeakPolarHBondContact CB-O 3.16Å
138S91.5Very high93.2Very high52 Ų52114.8 Ų114.836%0.36458%0.579SS.*  trans-112.2146.8-167.375.50000112.3
139T93.3Very high92.7Very high110 Ų110119.3 Ų119.368%0.67559%0.589SS**PPolyproline II helixtrans-68.4164.9167.456.70000110.7T102 R141T102-T139 WeakPolarHBondContact CG2-O 3.41Å; T102-T139 WeakPolarHBondContact CG2-OG1 3.43Å; T139-R141 PolarHBondContact O-N 3.06Å; T139-R141 VanDerWaalsContact O-N 3.16Å
140R94.1Very high92Very high206 Ų206124.6 Ų124.678%0.77762%0.619SS**PPolyproline II helixtrans-53.5124.6178.1-173.5177179.5-1790.5110.9
141R92.8Very high91.9Very high176 Ų176125.7 Ų125.766%0.66462%0.623SS**PPolyproline II helixtrans-61.6150.6178.9-62-169.3179.9176.10.8111.6T102 T139 G143T102-R141 WeakPolarHBondContact O-CG 3.49Å; T139-R141 PolarHBondContact O-N 3.06Å; T139-R141 VanDerWaalsContact O-N 3.16Å; R141-G143 PolarHBondContact O-N 3.16Å; R141-G143 VanDerWaalsContact O-N 3.09Å
142K88.7Confident91.6Very high203 Ų203129.4 Ų129.488%0.88364%0.638SS**SBendtrans-67.6107171.7-173.8178179.7178.90109.2
143G90.8Very high91.3Very high42 Ų42136 Ų13643%0.43367%0.67SS.*SBendtrans162.2156.9179.700000111R141R141-G143 PolarHBondContact O-N 3.16Å; R141-G143 VanDerWaalsContact O-N 3.09Å
144G90.1Very high91Very high51 Ų51141.1 Ų141.153%0.52669%0.69SS.*BIsolated β-bridgetrans-66.7168.7169.300000110.9R146 G147G144-R146 PolarHBondContact O-N 2.88Å; G144-R146 VanDerWaalsContact O-N 3.11Å; G144-G147 PolarHBondContact O-N 3.11Å
145R90.3Very high90.8Very high245 Ų245142.3 Ų142.393%0.92569%0.694SS**THydrogen-bonded Turntrans-55-30172-177.5176.2177.7179.5-0.2112.3
146R91.6Very high90.6Very high204 Ų204149 Ų14977%0.7772%0.722SS**THydrogen-bonded Turntrans-91.58177.3-58.8-178.6-178.2172.80.1113.8G144G144-R146 PolarHBondContact O-N 2.88Å; G144-R146 VanDerWaalsContact O-N 3.11Å
147G89.5Confident90.3Very high41 Ų41149.6 Ų149.642%0.42370%0.704SS.*BIsolated β-bridgetrans74.7-164.3-176.900000114.4G144G144-G147 PolarHBondContact O-N 3.11Å
148R88.9Confident90Very high215 Ų215149.5 Ų149.581%0.81170%0.696SS**  trans-89.7118.5172.5-176-177.6-177.8-154.3-4.5107.7L150R148-L150 HydrophobicContact CG-CB 4.49Å; R148-L150 HydrophobicContact CG-CD1 4.48Å
149R86.5Confident89.9Confident199 Ų199157.7 Ų157.775%0.75172%0.724SS**  trans-102.437.8-173-54.9-17983.4-166.15.6112.9
150L82.3Confident89.6Confident200 Ų200162 Ų162100%1.04773%0.728SS**  trans-98.80173.1-71.4169.8000109R148R148-L150 HydrophobicContact CG-CB 4.49Å; R148-L150 HydrophobicContact CG-CD1 4.48Å

Retrieved 150 of 150 residues in 101.6 ms (Link to these results)