A0A087XEE1_POEFO Loading...

Sorting nexin 12

AlphaFold DB , UniProt , Accession A0A087XEE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1M46.4Very low66.4Low242 Ų242150.9 Ų150.9100%1.19281%0.806SS**  0111.90-83.5158.616300106.5
2T53.6Low68Low141 Ų141151.9 Ų151.987%0.86581%0.81SS**PPolyproline II helixtrans-85.8119.9177.642.30000108.2
3D57.5Low69.2Low148 Ų148153.2 Ų153.279%0.79182%0.817SS**PPolyproline II helixtrans-60.6136.1176.2-71.6-51.2000110.7V5D3-V5 PolarHBondContact O-N 3.28Å
4P58Low70.3Confident107 Ų107150.1 Ų150.170%0.69581%0.813SS**PPolyproline II helixtrans-68126.3177.327.4-31.7000109.3V6P4-V6 VanDerWaalsContact C-N 3.28Å; P4-V6 PolarHBondContact O-N 3.34Å
5V63.1Low71.3Confident150 Ų150153.1 Ų153.191%0.90982%0.815SS**  trans-70.786.9174.9-148.10000108D3 A7D3-V5 PolarHBondContact O-N 3.28Å; V5-A7 PolarHBondContact O-N 3.1Å
6V65.8Low72.1Confident124 Ų124151.1 Ų151.175%0.75281%0.814SS**  trans-68.7111.8172.9-179.50000106.9P4 D8P4-V6 VanDerWaalsContact C-N 3.28Å; P4-V6 PolarHBondContact O-N 3.34Å; V6-D8 PolarHBondContact O-N 2.8Å; V6-D8 VanDerWaalsContact O-N 3.15Å
7A67.4Low72.8Confident78 Ų78149.9 Ų149.965%0.64580%0.802SS**  trans-59.5119.317300000108.7V5 T9V5-A7 PolarHBondContact O-N 3.1Å; A7-T9 PolarHBondContact O-N 2.93Å
8D74.6Confident73.6Confident102 Ų102146.8 Ų146.855%0.54579%0.785SS.*  trans-68.799.5179.3-163.3-11.7000108.8V6 R10V6-D8 PolarHBondContact O-N 2.8Å; V6-D8 VanDerWaalsContact O-N 3.15Å; D8-R10 PolarHBondContact O-N 3.16Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.39Å; D8-R10 WeakPolarHBondContact OD1-CD 3.42Å; D8-R10 WeakPolarHBondContact OD1-CG 3.41Å; D8-R10 IonicContact OD1-CZ 3Å; D8-R10 PolarHBondContact OD1-N 2.84Å; D8-R10 IonicContact OD1-NE 3.47Å; D8-R10 PolarHBondContact OD1-NE 2.92Å; D8-R10 IonicContact OD1-NH1 3.76Å; D8-R10 PolarHBondContact OD1-NH1 2.69Å; D8-R10 IonicContact OD2-CZ 2.72Å; D8-R10 IonicContact OD2-NH1 2.81Å; D8-R10 PolarHBondContact OD2-NH1 2.75Å
9T79Confident74.1Confident137 Ų137145.7 Ų145.784%0.8478%0.779SS**  trans-81.48-179.752.80000112.9A7 R11A7-T9 PolarHBondContact O-N 2.93Å; T9-R11 PolarHBondContact O-N 3.49Å
10R83.8Confident74.5Confident190 Ų190143.6 Ų143.672%0.71777%0.771SS**PPolyproline II helixtrans-66.6133.2176.6-67.3-178.5-145117.97.4110.1D8 L12D8-R10 PolarHBondContact O-N 3.16Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.39Å; D8-R10 WeakPolarHBondContact OD1-CD 3.42Å; D8-R10 WeakPolarHBondContact OD1-CG 3.41Å; D8-R10 IonicContact OD1-CZ 3Å; D8-R10 PolarHBondContact OD1-N 2.84Å; D8-R10 IonicContact OD1-NE 3.47Å; D8-R10 PolarHBondContact OD1-NE 2.92Å; D8-R10 IonicContact OD1-NH1 3.76Å; D8-R10 PolarHBondContact OD1-NH1 2.69Å; D8-R10 IonicContact OD2-CZ 2.72Å; D8-R10 IonicContact OD2-NH1 2.81Å; D8-R10 PolarHBondContact OD2-NH1 2.75Å; R10-L12 PolarHBondContact O-N 3.35Å
11R80.8Confident74.9Confident241 Ų241141.2 Ų141.291%0.90976%0.758SS**PPolyproline II helixtrans-59.7130.7171.8-71.4-176.1176.8-167.5-1.3109.1T9T9-R11 PolarHBondContact O-N 3.49Å
12L85.7Confident76.5Confident163 Ų163132.1 Ų132.185%0.85372%0.722SS**PPolyproline II helixtrans-64.1139.8171-61.9175.2000109.1R10 S14R10-L12 PolarHBondContact O-N 3.35Å; L12-S14 PolarHBondContact O-N 3.28Å
13N84.4Confident77.9Confident169 Ų169135 Ų13590%0.90472%0.718SS**  trans-65.5106.9170.9-81.3-8.8000108.8
14S84.5Confident78.8Confident109 Ų109129.6 Ų129.676%0.76270%0.697SS**PPolyproline II helixtrans-81.8148.3170.5550000110.3L12L12-S14 PolarHBondContact O-N 3.28Å
15K85.2Confident79.5Confident195 Ų195130 Ų13085%0.84870%0.7SS**PPolyproline II helixtrans-67.3136.4167.7-70.1-179.1179.2178.30108.5
16P84.5Confident80Confident122 Ų122127.4 Ų127.479%0.79269%0.686SS**PPolyproline II helixtrans-61.5140.817424.8-31.4000109.8
17Q83Confident80.4Confident131 Ų131125.7 Ų125.761%0.61268%0.68SS**PPolyproline II helixtrans-67.2135.7175.8-167.9174.21200109.5D21Q17-D21 HydrophobicContact CG-CB 4.14Å; Q17-D21 VanDerWaalsContact CG-OD2 3.3Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.43Å; Q17-D21 PolarHBondContact NE2-OD2 2.92Å
18D87.8Confident81.3Confident94 Ų94127.2 Ų127.250%0.50368%0.677SS.*PPolyproline II helixtrans-74.7149.1176.1-173.925.3000110.7T20 D21 A22D18-T20 PolarHBondContact O-N 2.81Å; D18-T20 PolarHBondContact OD2-OG1 2.87Å; D18-D21 PolarHBondContact O-N 3.5Å; D18-D21 VanDerWaalsContact O-N 3.1Å; D18-A22 PolarHBondContact O-N 3.04Å
19L82.3Confident82.2Confident126 Ų126126.6 Ų126.666%0.6667%0.67SS**Hα-helixtrans-61.8-31178.7-65.3176.9000111.6D21 A22 Y23L19-D21 VanDerWaalsContact C-N 3.34Å; L19-A22 PolarHBondContact O-N 3.18Å; L19-Y23 HydrophobicContact CD2-CE2 4.22Å; L19-Y23 WeakPolarHBondContact O-CD2 3.26Å; L19-Y23 PolarHBondContact O-N 2.99Å; L19-Y23 VanDerWaalsContact O-N 3.15Å
20T82.6Confident82.9Confident103 Ų103121.9 Ų121.963%0.63264%0.639SS**Hα-helixtrans-68.1-33.7176.3670000112.6D18 G24D18-T20 PolarHBondContact O-N 2.81Å; D18-T20 PolarHBondContact OD2-OG1 2.87Å; T20-G24 VanDerWaalsContact O-CA 3.23Å; T20-G24 WeakPolarHBondContact O-CA 3.07Å; T20-G24 PolarHBondContact O-N 3.48Å
21D82.6Confident83.5Confident93 Ų93116.6 Ų116.650%0.49762%0.622SS.*Hα-helixtrans-79.1-34.9176.3-173.755.4000111.4Q17 D18 L19Q17-D21 HydrophobicContact CG-CB 4.14Å; Q17-D21 VanDerWaalsContact CG-OD2 3.3Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.43Å; Q17-D21 PolarHBondContact NE2-OD2 2.92Å; D18-D21 PolarHBondContact O-N 3.5Å; D18-D21 VanDerWaalsContact O-N 3.1Å; L19-D21 VanDerWaalsContact C-N 3.34Å
22A80.3Confident84.3Confident51 Ų51105.1 Ų105.142%0.42158%0.579SS.*Hα-helixtrans-68.6-33.6178.500000113.6D18 L19D18-A22 PolarHBondContact O-N 3.04Å; L19-A22 PolarHBondContact O-N 3.18Å
23Y82.7Confident84.9Confident202 Ų202100.3 Ų100.379%0.79255%0.554SS**Hα-helixtrans-1171.6-176-61.9-73.3000114L19L19-Y23 HydrophobicContact CD2-CE2 4.22Å; L19-Y23 WeakPolarHBondContact O-CD2 3.26Å; L19-Y23 PolarHBondContact O-N 2.99Å; L19-Y23 VanDerWaalsContact O-N 3.15Å
24G76.6Confident85.5Confident34 Ų3492.2 Ų92.235%0.35151%0.511SS..SBendtrans-70.7159.5177.300000112.7T20T20-G24 VanDerWaalsContact O-CA 3.23Å; T20-G24 WeakPolarHBondContact O-CA 3.07Å; T20-G24 PolarHBondContact O-N 3.48Å
25P72.6Confident86.1Confident116 Ų11690.7 Ų90.775%0.75349%0.489SS*.PPolyproline II helixtrans-58.7147.7168.626.8-33000109.8S27P25-S27 PolarHBondContact O-N 3.35Å
26P73.9Confident86.7Confident96 Ų9684.4 Ų84.462%0.62347%0.465SS*.PPolyproline II helixtrans-54.5137.8179.821.2-31.5000110.3N28 N57P26-N28 PolarHBondContact O-N 3.04Å; P26-N57 PolarHBondContact O-ND2 2.81Å
27S75.2Confident87.3Confident88 Ų8881.3 Ų81.362%0.61545%0.445SS*.SBendtrans-60-27.3-166-43.20000113.1P25 N57P25-S27 PolarHBondContact O-N 3.35Å; S27-N57 PolarHBondContact O-ND2 3.01Å; S27-N57 VanDerWaalsContact O-ND2 3.08Å
28N86.3Confident87.9Confident110 Ų11079 Ų7959%0.58843%0.434SS*.  trans-142.3122.3-176.5-67-36.9000111.2P26 N57 L58P26-N28 PolarHBondContact O-N 3.04Å; N28-N57 VanDerWaalsContact CA-OD1 3.27Å; N28-N57 WeakPolarHBondContact CA-OD1 3.29Å; N28-L58 HydrophobicContact CB-CD2 3.7Å; N28-L58 WeakPolarHBondContact OD1-CD2 3.43Å
29F91.9Very high88.2Confident88 Ų8878.4 Ų78.439%0.38643%0.43SS..  trans-134.9150.5168.178.1-92.5000110.7E31 R55 T56 N57F29-E31 HydrophobicContact CD2-CG 4.47Å; F29-R55 HydrophobicContact CE2-CB 4.2Å; F29-T56 WeakPolarHBondContact O-CA 3.41Å; F29-T56 WeakPolarHBondContact O-CB 3.21Å; F29-T56 PolarHBondContact O-OG1 2.73Å; F29-N57 HydrophobicContact CD1-CB 3.95Å; F29-N57 WeakPolarHBondContact CD1-ND2 3.41Å; F29-N57 HydrophobicContact CE1-CB 3.61Å; F29-N57 HydrophobicContact CZ-CB 4.35Å; F29-N57 PolarHBondContact N-OD1 2.94Å; F29-N57 PolarHBondContact O-N 3Å; F29-N57 PolarHBondContact O-OD1 3.27Å
30L94.6Very high88.8Confident39 Ų3974.9 Ų74.920%0.20441%0.414CS..EExtended strand (participates in β ladder)trans-148113173.8173.463.4000106.9I32 M54 T56 L58 F61 A131L30-I32 HydrophobicContact CD1-CD1 4.31Å; L30-I32 HydrophobicContact CD1-CG1 4.18Å; L30-I32 HydrophobicContact CG-CG1 4.47Å; L30-M54 HydrophobicContact CD1-CG 3.81Å; L30-M54 HydrophobicContact CD1-SD 4.3Å; L30-T56 HydrophobicContact CD1-CG2 4.38Å; L30-L58 HydrophobicContact CB-CD1 4.03Å; L30-L58 HydrophobicContact CD2-CD1 4.21Å; L30-F61 HydrophobicContact CD1-CD2 4.46Å; L30-F61 HydrophobicContact CD1-CE2 3.98Å; L30-F61 HydrophobicContact CD1-CZ 4.48Å; L30-F61 HydrophobicContact CD2-CE2 4.01Å; L30-F61 HydrophobicContact CD2-CZ 4.36Å; L30-A131 HydrophobicContact CD2-CB 3.74Å; L30-A131 WeakPolarHBondContact CD2-O 3.16Å
31E95.4Very high89.3Confident78 Ų7871.9 Ų71.936%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-118.3132.4175.560.8-175.2-163.300108.9F29 M54 R55F29-E31 HydrophobicContact CD2-CG 4.47Å; E31-M54 WeakPolarHBondContact O-CA 3.11Å; E31-R55 HydrophobicContact CG-CB 3.7Å; E31-R55 PolarHBondContact N-O 3.46Å; E31-R55 PolarHBondContact O-N 3.47Å; E31-R55 WeakPolarHBondContact OE1-CD 3.34Å; E31-R55 IonicContact OE1-CZ 3.49Å; E31-R55 IonicContact OE1-NE 3.23Å; E31-R55 IonicContact OE1-NH1 3.39Å; E31-R55 PolarHBondContact OE1-NH1 3.15Å
32I97.9Very high89.7Confident1 Ų173.7 Ų73.71%0.00542%0.417CS..EExtended strand (participates in β ladder)trans-130.3117.2176.9-54.1177.2000108.8L30 V52 R53 M54 I127 N128 A131 L146L30-I32 HydrophobicContact CD1-CD1 4.31Å; L30-I32 HydrophobicContact CD1-CG1 4.18Å; L30-I32 HydrophobicContact CG-CG1 4.47Å; I32-V52 HydrophobicContact CG2-CG1 3.75Å; I32-R53 CarbonylContact C-O 3.58Å; I32-R53 VanDerWaalsContact CA-O 3.23Å; I32-R53 WeakPolarHBondContact CA-O 3.36Å; I32-M54 HydrophobicContact CD1-CG 4.36Å; I32-M54 HydrophobicContact CG1-CB 4.11Å; I32-M54 HydrophobicContact CG1-CG 3.95Å; I32-I127 HydrophobicContact CB-CG2 4.22Å; I32-I127 HydrophobicContact CD1-CG1 4.05Å; I32-I127 HydrophobicContact CG2-CG1 4.2Å; I32-I127 HydrophobicContact CG2-CG2 3.65Å; I32-N128 PolarHBondContact N-OD1 3.23Å; I32-N128 PolarHBondContact O-ND2 2.81Å; I32-A131 HydrophobicContact CD1-CB 3.34Å; I32-L146 HydrophobicContact CD1-CD1 3.85Å; I32-L146 HydrophobicContact CD1-CD2 3.97Å; I32-L146 HydrophobicContact CG2-CD2 4.34Å
33D98.2Very high90Very high61 Ų6173.4 Ų73.433%0.32642%0.42SS..EExtended strand (participates in β ladder)trans-103.4139.8177.4-59.4-43.4000109.7Y35 V52 R53D33-Y35 HydrophobicContact CB-CD1 3.86Å; D33-Y35 HydrophobicContact CB-CE1 4.23Å; D33-V52 WeakPolarHBondContact O-CA 3.16Å; D33-R53 PolarHBondContact N-O 2.96Å; D33-R53 PolarHBondContact O-N 2.95Å
34V98.1Very high90Very high0 Ų075.8 Ų75.80%043%0.427CS..EExtended strand (participates in β ladder)trans-116.6112.9171.4-1770000108.1Y50 E51 V52 F75 R120 L123 E124 I127V34-Y50 HydrophobicContact CG1-CD1 4.23Å; V34-Y50 HydrophobicContact CG1-CG 3.97Å; V34-E51 CarbonylContact C-O 3.58Å; V34-E51 VanDerWaalsContact CA-O 3.27Å; V34-E51 WeakPolarHBondContact CA-O 3.29Å; V34-V52 HydrophobicContact CG2-CG2 4.33Å; V34-F75 HydrophobicContact CG2-CZ 4.44Å; V34-R120 HydrophobicContact CB-CG 4.42Å; V34-R120 HydrophobicContact CG1-CG 4.09Å; V34-R120 WeakPolarHBondContact O-CD 3.45Å; V34-R120 WeakPolarHBondContact O-CG 3.44Å; V34-R120 PolarHBondContact O-NH1 2.77Å; V34-L123 HydrophobicContact CG1-CB 4.49Å; V34-E124 HydrophobicContact CB-CB 4.04Å; V34-E124 HydrophobicContact CB-CG 4.45Å; V34-E124 HydrophobicContact CG2-CB 3.98Å; V34-E124 HydrophobicContact CG2-CG 4.32Å; V34-I127 HydrophobicContact CG2-CG2 4.07Å
35Y96.9Very high90.5Very high76 Ų7680.5 Ų80.530%0.29844%0.444SS..EExtended strand (participates in β ladder)trans-146.6-174-173.264.8-89.1000112.4D33 E51 R53D33-Y35 HydrophobicContact CB-CD1 3.86Å; D33-Y35 HydrophobicContact CB-CE1 4.23Å; Y35-E51 HydrophobicContact CD2-CB 4.29Å; Y35-E51 HydrophobicContact CE1-CB 4.34Å; Y35-E51 HydrophobicContact CE2-CB 3.9Å; Y35-E51 HydrophobicContact CE2-CG 4.43Å; Y35-E51 WeakPolarHBondContact CE2-OE2 3.4Å; Y35-E51 VanDerWaalsContact CZ-OE2 3.3Å; Y35-E51 PolarHBondContact N-O 2.86Å; Y35-E51 PolarHBondContact O-N 2.75Å; Y35-E51 PolarHBondContact OH-OE2 3.15Å; Y35-R53 HydrophobicContact CE1-CB 3.61Å
36D96.9Very high91.4Very high63 Ų6379.9 Ų79.934%0.33743%0.427SS..EExtended strand (participates in β ladder)trans48.566.8178.6-174.549.7000114.1Q38 E51 R69D36-Q38 PolarHBondContact O-N 2.96Å; D36-Q38 PolarHBondContact OD2-NE2 2.79Å; D36-E51 HydrophobicContact CB-CG 4.17Å; D36-R69 PolarHBondContact O-NH1 3.05Å; D36-R69 IonicContact OD2-CZ 3.59Å; D36-R69 IonicContact OD2-NH1 2.75Å; D36-R69 PolarHBondContact OD2-NH1 3.11Å; D36-R69 IonicContact OD2-NH2 2.69Å; D36-R69 PolarHBondContact OD2-NH2 3.09Å
37P96.8Very high92.3Very high58 Ų5879.9 Ų79.938%0.37742%0.416SS..EExtended strand (participates in β ladder)trans-65.8123.7177.128.1-33.4000111.1T48 T49 Y50 I116P37-T48 HydrophobicContact CB-CG2 3.99Å; P37-T49 CarbonylContact C-O 3.52Å; P37-T49 VanDerWaalsContact CA-O 3.29Å; P37-T49 WeakPolarHBondContact CA-O 3.19Å; P37-Y50 HydrophobicContact CB-CD1 3.99Å; P37-Y50 HydrophobicContact CB-CE1 3.89Å; P37-I116 HydrophobicContact CB-CG2 3.3Å; P37-I116 HydrophobicContact CG-CG2 3.66Å
38Q95.9Very high93.3Very high82 Ų8276.3 Ų76.338%0.38339%0.39SS..EExtended strand (participates in β ladder)trans-124.5132.3176.6-66.8-174.55.700111.6D36 T48 T49 R69D36-Q38 PolarHBondContact O-N 2.96Å; D36-Q38 PolarHBondContact OD2-NE2 2.79Å; Q38-T48 CarbonylContact O-C 3.59Å; Q38-T48 WeakPolarHBondContact O-CA 3.47Å; Q38-T49 PolarHBondContact N-O 2.86Å; Q38-T49 PolarHBondContact O-N 2.94Å; Q38-T49 PolarHBondContact O-OG1 2.92Å; Q38-R69 VanDerWaalsContact CG-NH1 3.27Å; Q38-R69 VanDerWaalsContact NE2-NH2 3.2Å
39I95Very high93.8Very high82 Ų8271.6 Ų71.642%0.42137%0.365SS..EExtended strand (participates in β ladder)trans-84.8115.7174.4-57.3172.3000108.5R46 F111I39-R46 HydrophobicContact CG2-CB 4.1Å; I39-R46 HydrophobicContact CG2-CG 4.38Å; I39-F111 HydrophobicContact CD1-CB 4.09Å; I39-F111 HydrophobicContact CD1-CD1 3.79Å; I39-F111 HydrophobicContact CD1-CG 4.29Å; I39-F111 HydrophobicContact CG1-CD1 4.05Å; I39-F111 HydrophobicContact CG2-CD1 4.08Å; I39-F111 HydrophobicContact CG2-CE1 4Å
40V95Very high94.1Very high51 Ų5167.5 Ų67.531%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-107.8143.3179.2-178.80000109.4R46 Y47 T49V40-R46 CarbonylContact O-C 3.55Å; V40-R46 VanDerWaalsContact O-CA 3.26Å; V40-R46 WeakPolarHBondContact O-CA 3.37Å; V40-Y47 HydrophobicContact CB-CD2 4.4Å; V40-Y47 HydrophobicContact CB-CE2 3.9Å; V40-Y47 HydrophobicContact CG1-CE2 4.22Å; V40-Y47 PolarHBondContact N-O 3.11Å; V40-Y47 PolarHBondContact O-N 2.83Å; V40-T49 HydrophobicContact CB-CG2 4.45Å; V40-T49 HydrophobicContact CG2-CG2 3.9Å
41G92.9Very high94.3Very high41 Ų4167.8 Ų67.842%0.42335%0.348SS..SBendtrans97.9-176.6178.100000113.5R46G41-R46 VanDerWaalsContact C-CG 3.49Å; G41-R46 WeakPolarHBondContact O-CG 3.14Å
42V89.9Confident94.4Very high130 Ų13064.1 Ų64.179%0.78833%0.33SS*.SBendtrans-136.5144.1-176.8-175.70000110.4R44 N45V42-R44 PolarHBondContact O-N 2.84Å; V42-N45 PolarHBondContact O-N 3.45Å
43G86.2Confident94.4Very high46 Ų4667.5 Ų67.547%0.47434%0.343SS..G310 helixtrans62.4-123.6176.700000113.2N45 R46G43-N45 VanDerWaalsContact C-N 3.34Å; G43-R46 WeakPolarHBondContact O-CG 3.49Å; G43-R46 PolarHBondContact O-NE 2.89Å; G43-R46 VanDerWaalsContact O-NE 3.1Å
44R82.9Confident94.4Very high251 Ų25164.6 Ų64.695%0.94733%0.327SS*.G310 helixtrans-77.6-16-177.7-67.9-176.8179.6169.4-1114.1V42 R46V42-R44 PolarHBondContact O-N 2.84Å; R44-R46 VanDerWaalsContact C-N 3.33Å
45N87.4Confident94.4Very high133 Ų13368.4 Ų68.471%0.71134%0.342SS*.G310 helixtrans-96.817.8-178.5-67.5-6.4000112.4V42 G43 Y47V42-N45 PolarHBondContact O-N 3.45Å; G43-N45 VanDerWaalsContact C-N 3.34Å; N45-Y47 WeakPolarHBondContact O-CD1 3.39Å
46R92Very high94.3Very high104 Ų10465 Ų6539%0.39233%0.329SS..  trans-75140.3177.8-70-173.9-62.11628.6111.2I39 V40 G41 G43 R44 F111I39-R46 HydrophobicContact CG2-CB 4.1Å; I39-R46 HydrophobicContact CG2-CG 4.38Å; V40-R46 CarbonylContact O-C 3.55Å; V40-R46 VanDerWaalsContact O-CA 3.26Å; V40-R46 WeakPolarHBondContact O-CA 3.37Å; G41-R46 VanDerWaalsContact C-CG 3.49Å; G41-R46 WeakPolarHBondContact O-CG 3.14Å; G43-R46 WeakPolarHBondContact O-CG 3.49Å; G43-R46 PolarHBondContact O-NE 2.89Å; G43-R46 VanDerWaalsContact O-NE 3.1Å; R44-R46 VanDerWaalsContact C-N 3.33Å; R46-F111 HydrophobicContact CB-CE1 3.9Å; R46-F111 HydrophobicContact CB-CZ 3.63Å
47Y93.6Very high94.1Very high96 Ų9664.6 Ų64.638%0.37633%0.327SS..EExtended strand (participates in β ladder)trans-147.8152.3173.555.3-90.1000111V40 N45 T49 R71V40-Y47 HydrophobicContact CB-CD2 4.4Å; V40-Y47 HydrophobicContact CB-CE2 3.9Å; V40-Y47 HydrophobicContact CG1-CE2 4.22Å; V40-Y47 PolarHBondContact N-O 3.11Å; V40-Y47 PolarHBondContact O-N 2.83Å; N45-Y47 WeakPolarHBondContact O-CD1 3.39Å; Y47-T49 HydrophobicContact CD2-CG2 3.72Å; Y47-T49 HydrophobicContact CE2-CG2 3.5Å; Y47-R71 HydrophobicContact CD2-CB 4.18Å
48T95.6Very high93.9Very high13 Ų1362.8 Ų62.88%0.0831%0.314CS..EExtended strand (participates in β ladder)trans-88.3131.9176.1-460000110.2P37 Q38 Y50 I116P37-T48 HydrophobicContact CB-CG2 3.99Å; Q38-T48 CarbonylContact O-C 3.59Å; Q38-T48 WeakPolarHBondContact O-CA 3.47Å; T48-Y50 HydrophobicContact CG2-CE1 4.18Å; T48-Y50 HydrophobicContact CG2-CE2 4.31Å; T48-I116 HydrophobicContact CG2-CD1 4.34Å; T48-I116 HydrophobicContact CG2-CG1 4.38Å; T48-I116 HydrophobicContact CG2-CG2 4.23Å
49T97.3Very high93.8Very high11 Ų1164.3 Ų64.37%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-112.4156.817162.80000109.9P37 Q38 V40 Y47 R70 R71P37-T49 CarbonylContact C-O 3.52Å; P37-T49 VanDerWaalsContact CA-O 3.29Å; P37-T49 WeakPolarHBondContact CA-O 3.19Å; Q38-T49 PolarHBondContact N-O 2.86Å; Q38-T49 PolarHBondContact O-N 2.94Å; Q38-T49 PolarHBondContact O-OG1 2.92Å; V40-T49 HydrophobicContact CB-CG2 4.45Å; V40-T49 HydrophobicContact CG2-CG2 3.9Å; Y47-T49 HydrophobicContact CD2-CG2 3.72Å; Y47-T49 HydrophobicContact CE2-CG2 3.5Å; T49-R70 CarbonylContact C-O 3.55Å; T49-R70 WeakPolarHBondContact CA-O 3.4Å; T49-R71 HydrophobicContact CG2-CB 4.3Å
50Y97.9Very high93.7Very high1 Ų162.6 Ų62.60%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-131.2145.1179.6-53.3-88.4000108.8V34 P37 T48 R69 R70 I116 R119 R120 L123V34-Y50 HydrophobicContact CG1-CD1 4.23Å; V34-Y50 HydrophobicContact CG1-CG 3.97Å; P37-Y50 HydrophobicContact CB-CD1 3.99Å; P37-Y50 HydrophobicContact CB-CE1 3.89Å; T48-Y50 HydrophobicContact CG2-CE1 4.18Å; T48-Y50 HydrophobicContact CG2-CE2 4.31Å; Y50-R69 CarbonylContact O-C 3.57Å; Y50-R69 WeakPolarHBondContact O-CA 3.33Å; Y50-R70 PolarHBondContact N-O 2.87Å; Y50-R70 PolarHBondContact O-N 2.91Å; Y50-I116 HydrophobicContact CE1-CG2 4.09Å; Y50-R119 WeakPolarHBondContact OH-CD 3.27Å; Y50-R119 WeakPolarHBondContact OH-CG 3.47Å; Y50-R120 HydrophobicContact CD1-CB 4.26Å; Y50-R120 HydrophobicContact CD1-CG 4.1Å; Y50-R120 HydrophobicContact CE1-CB 3.92Å; Y50-R120 HydrophobicContact CE1-CG 4.27Å; Y50-L123 HydrophobicContact CD2-CD1 3.87Å; Y50-L123 HydrophobicContact CE2-CD1 3.65Å
51E98.1Very high93.7Very high46 Ų4660.2 Ų60.222%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-75.9129.2163.3-67.2-16116300109.4V34 Y35 D36 R69V34-E51 CarbonylContact C-O 3.58Å; V34-E51 VanDerWaalsContact CA-O 3.27Å; V34-E51 WeakPolarHBondContact CA-O 3.29Å; Y35-E51 HydrophobicContact CD2-CB 4.29Å; Y35-E51 HydrophobicContact CE1-CB 4.34Å; Y35-E51 HydrophobicContact CE2-CB 3.9Å; Y35-E51 HydrophobicContact CE2-CG 4.43Å; Y35-E51 WeakPolarHBondContact CE2-OE2 3.4Å; Y35-E51 VanDerWaalsContact CZ-OE2 3.3Å; Y35-E51 PolarHBondContact N-O 2.86Å; Y35-E51 PolarHBondContact O-N 2.75Å; Y35-E51 PolarHBondContact OH-OE2 3.15Å; D36-E51 HydrophobicContact CB-CG 4.17Å; E51-R69 VanDerWaalsContact CD-NH2 3.28Å; E51-R69 IonicContact OE1-CZ 3.64Å; E51-R69 IonicContact OE1-NE 3.98Å; E51-R69 IonicContact OE1-NH2 3.96Å; E51-R69 PolarHBondContact OE1-NH2 3.48Å
52V98.4Very high93.8Very high1 Ų167 Ų671%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-111.1107.9173.3-176.40000106.3I32 D33 V34 C67 V68 R70 F75 F145 L146I32-V52 HydrophobicContact CG2-CG1 3.75Å; D33-V52 WeakPolarHBondContact O-CA 3.16Å; V34-V52 HydrophobicContact CG2-CG2 4.33Å; V52-C67 WeakPolarHBondContact O-CA 3.32Å; V52-V68 HydrophobicContact CB-CG2 4.15Å; V52-V68 PolarHBondContact N-O 2.88Å; V52-V68 PolarHBondContact O-N 3.3Å; V52-R70 HydrophobicContact CB-CG 4.5Å; V52-R70 HydrophobicContact CG2-CB 3.89Å; V52-R70 HydrophobicContact CG2-CG 3.83Å; V52-F75 HydrophobicContact CG2-CE2 4.38Å; V52-F75 HydrophobicContact CG2-CZ 3.84Å; V52-F145 HydrophobicContact CG1-CE1 4.48Å; V52-L146 HydrophobicContact CG1-CD2 3.94Å
53R98.3Very high94Very high71 Ų7164.1 Ų64.127%0.26831%0.305SS..EExtended strand (participates in β ladder)trans-105128.7177.6-174178.7-174.6173.51.9109.9I32 D33 Y35 R55 D65 S66I32-R53 CarbonylContact C-O 3.58Å; I32-R53 VanDerWaalsContact CA-O 3.23Å; I32-R53 WeakPolarHBondContact CA-O 3.36Å; D33-R53 PolarHBondContact N-O 2.96Å; D33-R53 PolarHBondContact O-N 2.95Å; Y35-R53 HydrophobicContact CE1-CB 3.61Å; R53-R55 VanDerWaalsContact CZ-NE 3.33Å; R53-R55 VanDerWaalsContact NH2-NE 3.18Å; R53-R55 VanDerWaalsContact NH2-NH2 3.13Å; R53-D65 IonicContact CZ-OD2 2.65Å; R53-D65 IonicContact NE-OD1 3.36Å; R53-D65 PolarHBondContact NE-OD1 2.94Å; R53-D65 IonicContact NE-OD2 2.86Å; R53-D65 IonicContact NH2-OD1 2.81Å; R53-D65 IonicContact NH2-OD2 2.7Å; R53-D65 PolarHBondContact NH2-OD2 2.73Å; R53-S66 CarbonylContact C-O 3.54Å; R53-S66 VanDerWaalsContact CA-O 3.26Å; R53-S66 WeakPolarHBondContact CA-O 3.39Å
54M97.8Very high94.4Very high0 Ų066.5 Ų66.50%030%0.303CS..EExtended strand (participates in β ladder)trans-116.2135175.9175.7-89.1-72.800109.4L30 E31 I32 T56 F61 D65 S66 Q147L30-M54 HydrophobicContact CD1-CG 3.81Å; L30-M54 HydrophobicContact CD1-SD 4.3Å; E31-M54 WeakPolarHBondContact O-CA 3.11Å; I32-M54 HydrophobicContact CD1-CG 4.36Å; I32-M54 HydrophobicContact CG1-CB 4.11Å; I32-M54 HydrophobicContact CG1-CG 3.95Å; M54-T56 HydrophobicContact CE-CG2 4.4Å; M54-T56 HydrophobicContact SD-CG2 3.41Å; M54-T56 WeakPolarHBondContact SD-CG2 3.48Å; M54-F61 HydrophobicContact CE-CB 4.36Å; M54-F61 HydrophobicContact CE-CD1 4.15Å; M54-F61 HydrophobicContact CE-CG 4.28Å; M54-D65 CarbonylContact O-C 3.5Å; M54-D65 VanDerWaalsContact O-CA 3.28Å; M54-D65 WeakPolarHBondContact O-CA 3.49Å; M54-S66 WeakPolarHBondContact CE-OG 3.49Å; M54-S66 PolarHBondContact N-O 2.95Å; M54-S66 PolarHBondContact O-N 2.84Å; M54-Q147 HydrophobicContact CE-CG 3.81Å
55R96.7Very high95.1Very high81 Ų8158.2 Ų58.231%0.30628%0.277SS..EExtended strand (participates in β ladder)trans-129.9135.2166.5-64160.4175.3169.98110.1F29 E31 R53 K64 D65F29-R55 HydrophobicContact CE2-CB 4.2Å; E31-R55 HydrophobicContact CG-CB 3.7Å; E31-R55 PolarHBondContact N-O 3.46Å; E31-R55 PolarHBondContact O-N 3.47Å; E31-R55 WeakPolarHBondContact OE1-CD 3.34Å; E31-R55 IonicContact OE1-CZ 3.49Å; E31-R55 IonicContact OE1-NE 3.23Å; E31-R55 IonicContact OE1-NH1 3.39Å; E31-R55 PolarHBondContact OE1-NH1 3.15Å; R53-R55 VanDerWaalsContact CZ-NE 3.33Å; R53-R55 VanDerWaalsContact NH2-NE 3.18Å; R53-R55 VanDerWaalsContact NH2-NH2 3.13Å; R55-K64 CarbonylContact C-O 3.52Å; R55-K64 VanDerWaalsContact CA-O 3.26Å; R55-K64 WeakPolarHBondContact CA-O 3.33Å; R55-D65 HydrophobicContact CG-CB 4.3Å; R55-D65 WeakPolarHBondContact CG-OD2 3.37Å; R55-D65 IonicContact NE-OD2 3.56Å
56T95.9Very high95.6Very high3 Ų352.3 Ų52.32%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-158.3152.3-176.7-1700000112F29 L30 M54 L58 F61 K64F29-T56 WeakPolarHBondContact O-CA 3.41Å; F29-T56 WeakPolarHBondContact O-CB 3.21Å; F29-T56 PolarHBondContact O-OG1 2.73Å; L30-T56 HydrophobicContact CD1-CG2 4.38Å; M54-T56 HydrophobicContact CE-CG2 4.4Å; M54-T56 HydrophobicContact SD-CG2 3.41Å; M54-T56 WeakPolarHBondContact SD-CG2 3.48Å; T56-L58 WeakPolarHBondContact OG1-CB 3.47Å; T56-L58 VanDerWaalsContact OG1-CG 3.32Å; T56-L58 WeakPolarHBondContact OG1-CG 3.48Å; T56-L58 PolarHBondContact OG1-N 2.72Å; T56-F61 HydrophobicContact CG2-CB 3.72Å; T56-F61 HydrophobicContact CG2-CD2 3.69Å; T56-F61 HydrophobicContact CG2-CG 3.97Å; T56-K64 PolarHBondContact N-O 3.4Å; T56-K64 WeakPolarHBondContact O-CA 3.45Å; T56-K64 WeakPolarHBondContact O-CB 3.4Å; T56-K64 VanDerWaalsContact O-CD 3.31Å; T56-K64 WeakPolarHBondContact O-CD 3.35Å
57N93.1Very high95.8Very high55 Ų5550.3 Ų50.329%0.29425%0.247SC..  trans-1020.2164.965.4-5.1000112.8P26 S27 N28 F29P26-N57 PolarHBondContact O-ND2 2.81Å; S27-N57 PolarHBondContact O-ND2 3.01Å; S27-N57 VanDerWaalsContact O-ND2 3.08Å; N28-N57 VanDerWaalsContact CA-OD1 3.27Å; N28-N57 WeakPolarHBondContact CA-OD1 3.29Å; F29-N57 HydrophobicContact CD1-CB 3.95Å; F29-N57 WeakPolarHBondContact CD1-ND2 3.41Å; F29-N57 HydrophobicContact CE1-CB 3.61Å; F29-N57 HydrophobicContact CZ-CB 4.35Å; F29-N57 PolarHBondContact N-OD1 2.94Å; F29-N57 PolarHBondContact O-N 3Å; F29-N57 PolarHBondContact O-OD1 3.27Å
58L92.9Very high96Very high21 Ų2146.2 Ų46.211%0.1123%0.232CC..  trans-63.9135-177.5-66.6174.6000110.7N28 L30 T56 I60 F61 K64N28-L58 HydrophobicContact CB-CD2 3.7Å; N28-L58 WeakPolarHBondContact OD1-CD2 3.43Å; L30-L58 HydrophobicContact CB-CD1 4.03Å; L30-L58 HydrophobicContact CD2-CD1 4.21Å; T56-L58 WeakPolarHBondContact OG1-CB 3.47Å; T56-L58 VanDerWaalsContact OG1-CG 3.32Å; T56-L58 WeakPolarHBondContact OG1-CG 3.48Å; T56-L58 PolarHBondContact OG1-N 2.72Å; L58-I60 VanDerWaalsContact C-N 3.29Å; L58-I60 HydrophobicContact CB-CG2 4.19Å; L58-I60 PolarHBondContact O-N 2.71Å; L58-F61 HydrophobicContact CB-CD2 4.02Å; L58-F61 HydrophobicContact CD1-CD2 4.25Å; L58-F61 HydrophobicContact CD1-CE2 3.97Å; L58-F61 PolarHBondContact O-N 3.34Å; L58-K64 PolarHBondContact O-NZ 3.25Å
59P91.9Very high96.1Very high113 Ų11349.2 Ų49.273%0.73424%0.242SC*.THydrogen-bonded Turntrans-70.7-23.5-176.227.3-34.5000113.4F61P59-F61 PolarHBondContact O-N 3.33Å
60I93.9Very high96.2Very high46 Ų4648.9 Ų48.924%0.23624%0.24CC..THydrogen-bonded Turntrans-63.7-29.5-179.7-166.1152.2000112.8L58 Q137 N138 H143L58-I60 VanDerWaalsContact C-N 3.29Å; L58-I60 HydrophobicContact CB-CG2 4.19Å; L58-I60 PolarHBondContact O-N 2.71Å; I60-Q137 HydrophobicContact CD1-CB 3.89Å; I60-Q137 VanDerWaalsContact CD1-O 3.23Å; I60-Q137 WeakPolarHBondContact CD1-O 3.44Å; I60-Q137 HydrophobicContact CG2-CB 4.34Å; I60-N138 VanDerWaalsContact CD1-OD1 3.3Å; I60-N138 WeakPolarHBondContact CD1-OD1 3.26Å; I60-H143 PolarHBondContact O-CE1 2.7Å
61F94.8Very high96.1Very high1 Ų152.5 Ų52.50%0.00425%0.253CS..SBendtrans-86.8123.3177-69.4-68.4000110.3L30 M54 T56 L58 P59 L63 K64 Q137 L142 H143 L146L30-F61 HydrophobicContact CD1-CD2 4.46Å; L30-F61 HydrophobicContact CD1-CE2 3.98Å; L30-F61 HydrophobicContact CD1-CZ 4.48Å; L30-F61 HydrophobicContact CD2-CE2 4.01Å; L30-F61 HydrophobicContact CD2-CZ 4.36Å; M54-F61 HydrophobicContact CE-CB 4.36Å; M54-F61 HydrophobicContact CE-CD1 4.15Å; M54-F61 HydrophobicContact CE-CG 4.28Å; T56-F61 HydrophobicContact CG2-CB 3.72Å; T56-F61 HydrophobicContact CG2-CD2 3.69Å; T56-F61 HydrophobicContact CG2-CG 3.97Å; L58-F61 HydrophobicContact CB-CD2 4.02Å; L58-F61 HydrophobicContact CD1-CD2 4.25Å; L58-F61 HydrophobicContact CD1-CE2 3.97Å; L58-F61 PolarHBondContact O-N 3.34Å; P59-F61 PolarHBondContact O-N 3.33Å; F61-L63 PolarHBondContact O-N 3.45Å; F61-K64 PolarHBondContact O-NZ 2.86Å; F61-Q137 HydrophobicContact CZ-CG 4.37Å; F61-L142 HydrophobicContact CE1-CD2 4.44Å; F61-L142 HydrophobicContact CZ-CD2 4.3Å; F61-H143 AromaticContact CD1-CE1 3.51Å; F61-H143 AromaticContact CD1-ND1 3.48Å; F61-H143 WeakPolarHBondContact CD1-ND1 3.26Å; F61-H143 AromaticContact CE1-CE1 3.76Å; F61-H143 AromaticContact CE1-ND1 3.9Å; F61-L146 HydrophobicContact CE1-CD1 4.06Å; F61-L146 HydrophobicContact CZ-CD1 4.45Å
62K94.2Very high96Very high183 Ų18351.6 Ų51.680%0.79625%0.248SC*.SBendtrans-59.3-44.3176.9-175-177.1178.6-176.50112.4
63L95.4Very high95.8Very high70 Ų7053.3 Ų53.337%0.36626%0.26SS..  trans-98.1140.9176.4-56.1-178000110.6F61 Q147F61-L63 PolarHBondContact O-N 3.45Å; L63-Q147 HydrophobicContact CB-CG 4.31Å; L63-Q147 HydrophobicContact CD1-CB 4.03Å; L63-Q147 HydrophobicContact CD1-CG 4.35Å; L63-Q147 HydrophobicContact CG-CB 4.48Å; L63-Q147 HydrophobicContact CG-CG 4.43Å; L63-Q147 VanDerWaalsContact N-NE2 3.2Å; L63-Q147 PolarHBondContact O-NE2 2.62Å
64K94.7Very high95.8Very high97 Ų9751 Ų5142%0.42225%0.253SS..SBendtrans-92.9-23.6177.2-55.7-52.8176.2-1540113.5R55 T56 L58 F61R55-K64 CarbonylContact C-O 3.52Å; R55-K64 VanDerWaalsContact CA-O 3.26Å; R55-K64 WeakPolarHBondContact CA-O 3.33Å; T56-K64 PolarHBondContact N-O 3.4Å; T56-K64 WeakPolarHBondContact O-CA 3.45Å; T56-K64 WeakPolarHBondContact O-CB 3.4Å; T56-K64 VanDerWaalsContact O-CD 3.31Å; T56-K64 WeakPolarHBondContact O-CD 3.35Å; L58-K64 PolarHBondContact O-NZ 3.25Å; F61-K64 PolarHBondContact O-NZ 2.86Å
65D96.7Very high95.8Very high77 Ų7751 Ų5141%0.41225%0.253SS..EExtended strand (participates in β ladder)trans-135131.4166.8-166.9-39.1000106.7R53 M54 R55R53-D65 IonicContact CZ-OD2 2.65Å; R53-D65 IonicContact NE-OD1 3.36Å; R53-D65 PolarHBondContact NE-OD1 2.94Å; R53-D65 IonicContact NE-OD2 2.86Å; R53-D65 IonicContact NH2-OD1 2.81Å; R53-D65 IonicContact NH2-OD2 2.7Å; R53-D65 PolarHBondContact NH2-OD2 2.73Å; M54-D65 CarbonylContact O-C 3.5Å; M54-D65 VanDerWaalsContact O-CA 3.28Å; M54-D65 WeakPolarHBondContact O-CA 3.49Å; R55-D65 HydrophobicContact CG-CB 4.3Å; R55-D65 WeakPolarHBondContact CG-OD2 3.37Å; R55-D65 IonicContact NE-OD2 3.56Å
66S97.6Very high95.7Very high8 Ų849 Ų496%0.05625%0.248CC..EExtended strand (participates in β ladder)trans-142.1146.6170.963.30000110.1R53 M54 L146R53-S66 CarbonylContact C-O 3.54Å; R53-S66 VanDerWaalsContact CA-O 3.26Å; R53-S66 WeakPolarHBondContact CA-O 3.39Å; M54-S66 WeakPolarHBondContact CE-OG 3.49Å; M54-S66 PolarHBondContact N-O 2.95Å; M54-S66 PolarHBondContact O-N 2.84Å; S66-L146 PolarHBondContact OG-O 2.91Å
67C97.8Very high95.7Very high63 Ų6350.3 Ų50.343%0.42625%0.252SS..EExtended strand (participates in β ladder)trans-131.6118.9172.4-173.20000108.5V52V52-C67 WeakPolarHBondContact O-CA 3.32Å
68V98Very high95.8Very high10 Ų1047.7 Ų47.76%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-132.5148.1-177.5-61.40000110V52 R70 F145 E148V52-V68 HydrophobicContact CB-CG2 4.15Å; V52-V68 PolarHBondContact N-O 2.88Å; V52-V68 PolarHBondContact O-N 3.3Å; V68-R70 HydrophobicContact CG2-CG 4.29Å; V68-F145 WeakPolarHBondContact CG2-O 3.48Å; V68-E148 WeakPolarHBondContact CG1-O 3.23Å
69R97.6Very high95.9Very high75 Ų7548.6 Ų48.628%0.28324%0.241SC..EExtended strand (participates in β ladder)trans-97.1129.4-179.3-162.3164-78.7-97.57.9110.4D36 Q38 Y50 E51D36-R69 PolarHBondContact O-NH1 3.05Å; D36-R69 IonicContact OD2-CZ 3.59Å; D36-R69 IonicContact OD2-NH1 2.75Å; D36-R69 PolarHBondContact OD2-NH1 3.11Å; D36-R69 IonicContact OD2-NH2 2.69Å; D36-R69 PolarHBondContact OD2-NH2 3.09Å; Q38-R69 VanDerWaalsContact CG-NH1 3.27Å; Q38-R69 VanDerWaalsContact NE2-NH2 3.2Å; Y50-R69 CarbonylContact O-C 3.57Å; Y50-R69 WeakPolarHBondContact O-CA 3.33Å; E51-R69 VanDerWaalsContact CD-NH2 3.28Å; E51-R69 IonicContact OE1-CZ 3.64Å; E51-R69 IonicContact OE1-NE 3.98Å; E51-R69 IonicContact OE1-NH2 3.96Å; E51-R69 PolarHBondContact OE1-NH2 3.48Å
70R97.9Very high96Very high5 Ų547.4 Ų47.42%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-134.3145.4-175.3-62.8-65.9176-110.59.5111.5T49 Y50 V52 V68 F75 M144 F145 E148 E149T49-R70 CarbonylContact C-O 3.55Å; T49-R70 WeakPolarHBondContact CA-O 3.4Å; Y50-R70 PolarHBondContact N-O 2.87Å; Y50-R70 PolarHBondContact O-N 2.91Å; V52-R70 HydrophobicContact CB-CG 4.5Å; V52-R70 HydrophobicContact CG2-CB 3.89Å; V52-R70 HydrophobicContact CG2-CG 3.83Å; V68-R70 HydrophobicContact CG2-CG 4.29Å; R70-F75 HydrophobicContact CB-CD2 4.41Å; R70-F75 HydrophobicContact CB-CE2 3.77Å; R70-F75 HydrophobicContact CB-CZ 4.48Å; R70-M144 PolarHBondContact NH2-O 2.84Å; R70-F145 HydrophobicContact CB-CE2 4.37Å; R70-F145 HydrophobicContact CB-CZ 4.16Å; R70-F145 HydrophobicContact CG-CE1 4.32Å; R70-F145 HydrophobicContact CG-CE2 3.92Å; R70-F145 HydrophobicContact CG-CZ 3.76Å; R70-F145 VanDerWaalsContact CZ-O 3.29Å; R70-F145 PolarHBondContact NE-O 2.96Å; R70-F145 PolarHBondContact NH2-O 2.87Å; R70-E148 PolarHBondContact NH2-O 3.47Å; R70-E149 PolarHBondContact NH1-O 2.74Å
71R96.2Very high96Very high77 Ų7746.2 Ų46.229%0.29122%0.222SC..EExtended strand (participates in β ladder)trans-103.9163.4168.554.7173.6-175177.33.5110.5Y47 T49 S73 D74 F75Y47-R71 HydrophobicContact CD2-CB 4.18Å; T49-R71 HydrophobicContact CG2-CB 4.3Å; R71-S73 WeakPolarHBondContact CD-OG 3.26Å; R71-S73 WeakPolarHBondContact CG-OG 3.49Å; R71-S73 PolarHBondContact NE-OG 3.38Å; R71-S73 PolarHBondContact O-N 3.35Å; R71-S73 VanDerWaalsContact O-N 3.09Å; R71-D74 WeakPolarHBondContact CG-OD2 3.46Å; R71-D74 PolarHBondContact N-OD2 3.47Å; R71-D74 IonicContact NE-OD1 2.71Å; R71-D74 WeakPolarHBondContact O-CB 3.41Å; R71-D74 PolarHBondContact O-N 3.37Å; R71-F75 WeakPolarHBondContact O-CD2 3.28Å
72Y95.8Very high95.8Very high26 Ų2646.2 Ų46.210%0.10222%0.222CC..Hα-helixtrans-49.1-40178.9176-93.4000113.8D74 F75 E76 L93 P94 K96 R119 L123Y72-D74 PolarHBondContact O-N 3.21Å; Y72-F75 WeakPolarHBondContact O-CB 3.47Å; Y72-F75 PolarHBondContact O-N 3.3Å; Y72-F75 VanDerWaalsContact O-N 3.11Å; Y72-E76 HydrophobicContact CD1-CG 4.04Å; Y72-E76 HydrophobicContact CE1-CG 3.46Å; Y72-E76 VanDerWaalsContact CE1-CG 3.46Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.26Å; Y72-E76 PolarHBondContact O-N 2.78Å; Y72-L93 HydrophobicContact CE2-CB 4.37Å; Y72-P94 HydrophobicContact CE2-CG 4.25Å; Y72-P94 WeakPolarHBondContact CE2-O 3.33Å; Y72-P94 PolarHBondContact OH-O 2.94Å; Y72-P94 VanDerWaalsContact OH-O 3.08Å; Y72-K96 HydrophobicContact CE1-CB 4.22Å; Y72-K96 HydrophobicContact CE1-CG 3.99Å; Y72-R119 HydrophobicContact CD2-CG 4.42Å; Y72-L123 HydrophobicContact CD2-CD2 4Å; Y72-L123 HydrophobicContact CE2-CD2 4.39Å
73S95.4Very high95.7Very high38 Ų3841.8 Ų41.827%0.26620%0.204SC..Hα-helixtrans-70-17.9179.845.90000114.3R71 W77R71-S73 WeakPolarHBondContact CD-OG 3.26Å; R71-S73 WeakPolarHBondContact CG-OG 3.49Å; R71-S73 PolarHBondContact NE-OG 3.38Å; R71-S73 PolarHBondContact O-N 3.35Å; R71-S73 VanDerWaalsContact O-N 3.09Å; S73-W77 PolarHBondContact O-N 3.5Å
74D97.3Very high95.3Very high22 Ų2244.7 Ų44.712%0.11821%0.21CC..Hα-helixtrans-76.1-33.6171.4-54.9-30.1000110.6R71 Y72 W77 L78 F145 I151R71-D74 WeakPolarHBondContact CG-OD2 3.46Å; R71-D74 PolarHBondContact N-OD2 3.47Å; R71-D74 IonicContact NE-OD1 2.71Å; R71-D74 WeakPolarHBondContact O-CB 3.41Å; R71-D74 PolarHBondContact O-N 3.37Å; Y72-D74 PolarHBondContact O-N 3.21Å; D74-W77 WeakPolarHBondContact O-CB 3.23Å; D74-W77 PolarHBondContact O-N 2.99Å; D74-L78 PolarHBondContact O-N 3.11Å; D74-F145 HydrophobicContact CB-CE2 4.03Å; D74-I151 HydrophobicContact CB-CD1 3.72Å
75F97.3Very high94.5Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-68.7-38.4170.8-69.1-101.7000111.6V34 V52 R70 R71 Y72 W77 L78 K79 L93 L123 F126 I127 F145V34-F75 HydrophobicContact CG2-CZ 4.44Å; V52-F75 HydrophobicContact CG2-CE2 4.38Å; V52-F75 HydrophobicContact CG2-CZ 3.84Å; R70-F75 HydrophobicContact CB-CD2 4.41Å; R70-F75 HydrophobicContact CB-CE2 3.77Å; R70-F75 HydrophobicContact CB-CZ 4.48Å; R71-F75 WeakPolarHBondContact O-CD2 3.28Å; Y72-F75 WeakPolarHBondContact O-CB 3.47Å; Y72-F75 PolarHBondContact O-N 3.3Å; Y72-F75 VanDerWaalsContact O-N 3.11Å; F75-W77 VanDerWaalsContact C-N 3.28Å; F75-W77 PolarHBondContact O-N 2.84Å; F75-L78 PolarHBondContact O-N 2.97Å; F75-K79 WeakPolarHBondContact O-CB 3.41Å; F75-K79 PolarHBondContact O-N 3.41Å; F75-L93 HydrophobicContact CB-CD2 3.85Å; F75-L123 HydrophobicContact CB-CD2 3.95Å; F75-L123 HydrophobicContact CD1-CB 4.43Å; F75-L123 HydrophobicContact CD1-CD2 3.8Å; F75-L123 HydrophobicContact CD2-CD1 4.22Å; F75-L123 HydrophobicContact CD2-CD2 3.94Å; F75-L123 HydrophobicContact CE1-CB 3.98Å; F75-L123 HydrophobicContact CE1-CD2 4.18Å; F75-L123 HydrophobicContact CE2-CD1 4.01Å; F75-L123 HydrophobicContact CE2-CD2 4.33Å; F75-L123 HydrophobicContact CG-CD2 3.66Å; F75-L123 HydrophobicContact CZ-CB 4.05Å; F75-L123 HydrophobicContact CZ-CD1 4.31Å; F75-L123 HydrophobicContact CZ-CD2 4.44Å; F75-L123 HydrophobicContact CZ-CG 4.5Å; F75-F126 AromaticContact CD1-CD1 3.89Å; F75-F126 HydrophobicContact CD1-CD1 3.89Å; F75-F126 HydrophobicContact CD1-CE1 4.12Å; F75-I127 HydrophobicContact CE1-CB 4.19Å; F75-F145 HydrophobicContact CD1-CE1 4.32Å; F75-F145 HydrophobicContact CD1-CE2 4.43Å; F75-F145 AromaticContact CD1-CZ 3.65Å; F75-F145 HydrophobicContact CD1-CZ 3.65Å; F75-F145 HydrophobicContact CD2-CE2 4.29Å; F75-F145 AromaticContact CD2-CZ 3.88Å; F75-F145 HydrophobicContact CD2-CZ 3.88Å; F75-F145 HydrophobicContact CE1-CE1 4.03Å; F75-F145 AromaticContact CE1-CZ 3.61Å; F75-F145 HydrophobicContact CE1-CZ 3.61Å; F75-F145 AromaticContact CE2-CZ 3.82Å; F75-F145 HydrophobicContact CE2-CZ 3.82Å; F75-F145 HydrophobicContact CG-CE2 4.22Å; F75-F145 AromaticContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CZ-CE1 4.28Å; F75-F145 AromaticContact CZ-CZ 3.69Å; F75-F145 HydrophobicContact CZ-CZ 3.69Å
76E95.7Very high93.5Very high40 Ų4040.2 Ų40.219%0.18719%0.192CC..Hα-helixtrans-58.7-42.9170.6-70-172.9119.900111.3Y72 K79 N80 L93 K96Y72-E76 HydrophobicContact CD1-CG 4.04Å; Y72-E76 HydrophobicContact CE1-CG 3.46Å; Y72-E76 VanDerWaalsContact CE1-CG 3.46Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.26Å; Y72-E76 PolarHBondContact O-N 2.78Å; E76-K79 PolarHBondContact O-N 3.32Å; E76-N80 PolarHBondContact O-N 2.9Å; E76-N80 PolarHBondContact O-ND2 3.1Å; E76-L93 HydrophobicContact CB-CD1 4.32Å; E76-L93 HydrophobicContact CG-CD1 3.88Å; E76-K96 VanDerWaalsContact CD-NZ 3.26Å; E76-K96 WeakPolarHBondContact OE1-CD 3.42Å; E76-K96 IonicContact OE1-NZ 3.4Å; E76-K96 PolarHBondContact OE1-NZ 2.88Å; E76-K96 IonicContact OE2-NZ 3.48Å; E76-K96 PolarHBondContact OE2-NZ 3.22Å
77W95.6Very high92.8Very high29 Ų2949.8 Ų49.811%0.1123%0.233CC..Hα-helixtrans-60-52.1175.2169.682.7000111.1S73 D74 F75 K79 N80 E81 C141 M144 F145 I151 Y155S73-W77 PolarHBondContact O-N 3.5Å; D74-W77 WeakPolarHBondContact O-CB 3.23Å; D74-W77 PolarHBondContact O-N 2.99Å; F75-W77 VanDerWaalsContact C-N 3.28Å; F75-W77 PolarHBondContact O-N 2.84Å; W77-K79 VanDerWaalsContact C-N 3.29Å; W77-K79 PolarHBondContact O-N 3.08Å; W77-N80 PolarHBondContact O-N 2.65Å; W77-E81 HydrophobicContact CD2-CG 4.01Å; W77-E81 VanDerWaalsContact CE2-CG 3.48Å; W77-E81 HydrophobicContact CG-CG 4.39Å; W77-E81 HydrophobicContact CH2-CG 4.19Å; W77-E81 HydrophobicContact CZ2-CG 3.63Å; W77-E81 WeakPolarHBondContact O-CG 2.88Å; W77-E81 PolarHBondContact O-N 3.39Å; W77-C141 HydrophobicContact CH2-CB 3.78Å; W77-C141 HydrophobicContact CZ2-CB 4.48Å; W77-C141 HydrophobicContact CZ3-CB 4.43Å; W77-M144 HydrophobicContact CH2-CE 3.24Å; W77-M144 HydrophobicContact CZ2-CE 3.48Å; W77-M144 VanDerWaalsContact CZ2-CE 3.48Å; W77-M144 HydrophobicContact CZ3-CE 4.32Å; W77-F145 HydrophobicContact CZ3-CB 4.43Å; W77-I151 HydrophobicContact CD2-CG2 3.95Å; W77-I151 HydrophobicContact CE3-CD1 3.97Å; W77-I151 HydrophobicContact CE3-CG2 3.83Å; W77-I151 HydrophobicContact CH2-CG2 3.71Å; W77-I151 HydrophobicContact CZ2-CG2 3.73Å; W77-I151 HydrophobicContact CZ3-CD1 4.14Å; W77-I151 HydrophobicContact CZ3-CG2 3.72Å; W77-Y155 HydrophobicContact CH2-CE1 4.38Å; W77-Y155 HydrophobicContact CZ2-CD1 4.07Å; W77-Y155 AromaticContact CZ2-CE1 3.57Å; W77-Y155 HydrophobicContact CZ2-CE1 3.57Å
78L95.8Very high92.3Very high0 Ų047.4 Ų47.40%022%0.216CC..Hα-helixtrans-56.4-44.3179.4178.365.7000111.9D74 F75 N80 E81 L82 F126 I127 C141 L142 F145D74-L78 PolarHBondContact O-N 3.11Å; F75-L78 PolarHBondContact O-N 2.97Å; L78-N80 PolarHBondContact O-N 3.36Å; L78-E81 PolarHBondContact O-N 3.29Å; L78-L82 HydrophobicContact CD1-CD1 4.04Å; L78-L82 HydrophobicContact CD1-CG 4.29Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.3Å; L78-F126 HydrophobicContact CD2-CE1 4.33Å; L78-I127 HydrophobicContact CD2-CD1 3.67Å; L78-C141 HydrophobicContact CD1-CB 4.21Å; L78-L142 HydrophobicContact CD2-CD1 4.23Å; L78-F145 HydrophobicContact CB-CD2 4.06Å; L78-F145 HydrophobicContact CB-CE2 4.46Å; L78-F145 HydrophobicContact CB-CG 4.46Å; L78-F145 HydrophobicContact CD1-CB 4.15Å; L78-F145 HydrophobicContact CD2-CB 4.21Å; L78-F145 HydrophobicContact CD2-CD1 3.86Å; L78-F145 HydrophobicContact CD2-CD2 4.13Å; L78-F145 HydrophobicContact CD2-CE1 4.26Å; L78-F145 HydrophobicContact CD2-CG 3.79Å; L78-F145 HydrophobicContact CG-CG 4.48Å
79K94.9Very high91.7Very high41 Ų4153.7 Ų53.718%0.17825%0.253CS..Hα-helixtrans-56.2-49.7175.6167.4166.1-171-60.30111.4F75 E76 W77 E81 L82 E83 V90 L93 F126F75-K79 WeakPolarHBondContact O-CB 3.41Å; F75-K79 PolarHBondContact O-N 3.41Å; E76-K79 PolarHBondContact O-N 3.32Å; W77-K79 VanDerWaalsContact C-N 3.29Å; W77-K79 PolarHBondContact O-N 3.08Å; K79-E81 VanDerWaalsContact C-N 3.35Å; K79-E81 PolarHBondContact O-N 2.93Å; K79-L82 PolarHBondContact O-N 3.02Å; K79-E83 VanDerWaalsContact CE-OE1 3.23Å; K79-E83 WeakPolarHBondContact CE-OE1 3.25Å; K79-E83 HydrophobicContact CG-CG 4.47Å; K79-E83 IonicContact NZ-OE1 3.4Å; K79-E83 PolarHBondContact NZ-OE1 2.85Å; K79-E83 IonicContact NZ-OE2 2.74Å; K79-E83 PolarHBondContact NZ-OE2 2.74Å; K79-E83 WeakPolarHBondContact O-CB 3.4Å; K79-E83 WeakPolarHBondContact O-CG 3.42Å; K79-E83 PolarHBondContact O-N 3.27Å; K79-V90 HydrophobicContact CB-CG1 4.11Å; K79-V90 HydrophobicContact CD-CG1 4.06Å; K79-V90 HydrophobicContact CG-CG1 3.64Å; K79-L93 HydrophobicContact CB-CD1 4.04Å; K79-L93 HydrophobicContact CD-CD1 3.76Å; K79-L93 HydrophobicContact CD-CG 3.95Å; K79-F126 HydrophobicContact CB-CE2 4.32Å; K79-F126 HydrophobicContact CB-CZ 3.96Å
80N93.5Very high91.3Very high88 Ų8850.8 Ų50.847%0.47124%0.244SC..Hα-helixtrans-66.3-36.9-177.3-65.5-21.2000112.3E76 W77 L78 E83 R84E76-N80 PolarHBondContact O-N 2.9Å; E76-N80 PolarHBondContact O-ND2 3.1Å; W77-N80 PolarHBondContact O-N 2.65Å; L78-N80 PolarHBondContact O-N 3.36Å; N80-E83 PolarHBondContact O-N 3.49Å; N80-R84 WeakPolarHBondContact O-CB 3.29Å; N80-R84 PolarHBondContact O-N 2.88Å; N80-R84 VanDerWaalsContact O-N 3.08Å
81E92.9Very high91Very high21 Ų2151.5 Ų51.510%0.09825%0.25CC..Hα-helixtrans-63.7-46.2175.9-65.4-62.4118.300111.3W77 L78 K79 R84 D85 C141 Y155W77-E81 HydrophobicContact CD2-CG 4.01Å; W77-E81 VanDerWaalsContact CE2-CG 3.48Å; W77-E81 HydrophobicContact CG-CG 4.39Å; W77-E81 HydrophobicContact CH2-CG 4.19Å; W77-E81 HydrophobicContact CZ2-CG 3.63Å; W77-E81 WeakPolarHBondContact O-CG 2.88Å; W77-E81 PolarHBondContact O-N 3.39Å; L78-E81 PolarHBondContact O-N 3.29Å; K79-E81 VanDerWaalsContact C-N 3.35Å; K79-E81 PolarHBondContact O-N 2.93Å; E81-R84 PolarHBondContact O-N 3.49Å; E81-R84 IonicContact OE1-CZ 3.75Å; E81-R84 IonicContact OE1-NH1 3.84Å; E81-R84 PolarHBondContact OE1-NH1 3.34Å; E81-R84 IonicContact OE1-NH2 3.28Å; E81-R84 IonicContact OE2-CZ 3.81Å; E81-R84 IonicContact OE2-NH1 3.75Å; E81-R84 PolarHBondContact OE2-NH1 2.97Å; E81-R84 IonicContact OE2-NH2 2.73Å; E81-R84 PolarHBondContact OE2-NH2 3.46Å; E81-D85 PolarHBondContact O-N 3.33Å; E81-D85 VanDerWaalsContact O-N 3.12Å; E81-C141 HydrophobicContact CB-CB 4.1Å; E81-Y155 WeakPolarHBondContact OE2-CE1 3.5Å; E81-Y155 VanDerWaalsContact OE2-CZ 3.27Å; E81-Y155 PolarHBondContact OE2-OH 3.17Å
82L92.1Very high90.8Very high0 Ų052.9 Ų52.90%027%0.269CS..Hα-helixtrans-66-39.3177.7-70170.4000111.9L78 K79 R84 S86 V90 I130 A136 E139L78-L82 HydrophobicContact CD1-CD1 4.04Å; L78-L82 HydrophobicContact CD1-CG 4.29Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.3Å; K79-L82 PolarHBondContact O-N 3.02Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 2.98Å; L82-S86 VanDerWaalsContact O-CA 3.29Å; L82-S86 WeakPolarHBondContact O-CA 3.5Å; L82-S86 WeakPolarHBondContact O-CB 3.43Å; L82-S86 PolarHBondContact O-N 3.06Å; L82-S86 VanDerWaalsContact O-O 3.13Å; L82-S86 PolarHBondContact O-OG 2.96Å; L82-V90 HydrophobicContact CB-CG2 3.78Å; L82-I130 HydrophobicContact CD1-CD1 4.05Å; L82-I130 HydrophobicContact CD1-CG1 4.35Å; L82-I130 HydrophobicContact CD1-CG2 3.5Å; L82-A136 HydrophobicContact CD2-CB 4.24Å; L82-E139 HydrophobicContact CD2-CB 4.01Å; L82-E139 HydrophobicContact CD2-CG 3.96Å
83E91.1Very high90.6Very high91 Ų9153 Ų5343%0.42527%0.27SS..Hα-helixtrans-66.9-27.9176.4-75.2179.7152.300113.3K79 N80 V90K79-E83 VanDerWaalsContact CE-OE1 3.23Å; K79-E83 WeakPolarHBondContact CE-OE1 3.25Å; K79-E83 HydrophobicContact CG-CG 4.47Å; K79-E83 IonicContact NZ-OE1 3.4Å; K79-E83 PolarHBondContact NZ-OE1 2.85Å; K79-E83 IonicContact NZ-OE2 2.74Å; K79-E83 PolarHBondContact NZ-OE2 2.74Å; K79-E83 WeakPolarHBondContact O-CB 3.4Å; K79-E83 WeakPolarHBondContact O-CG 3.42Å; K79-E83 PolarHBondContact O-N 3.27Å; N80-E83 PolarHBondContact O-N 3.49Å; E83-V90 HydrophobicContact CG-CB 3.86Å; E83-V90 HydrophobicContact CG-CG2 3.68Å
84R87.3Confident90.4Very high130 Ų13052.3 Ų52.349%0.49127%0.266SS..Hα-helixtrans-77.7-50.4179.5-172.4-174.163.5-123.2-1.1111.9N80 E81 L82N80-R84 WeakPolarHBondContact O-CB 3.29Å; N80-R84 PolarHBondContact O-N 2.88Å; N80-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 PolarHBondContact O-N 3.49Å; E81-R84 IonicContact OE1-CZ 3.75Å; E81-R84 IonicContact OE1-NH1 3.84Å; E81-R84 PolarHBondContact OE1-NH1 3.34Å; E81-R84 IonicContact OE1-NH2 3.28Å; E81-R84 IonicContact OE2-CZ 3.81Å; E81-R84 IonicContact OE2-NH1 3.75Å; E81-R84 PolarHBondContact OE2-NH1 2.97Å; E81-R84 IonicContact OE2-NH2 2.73Å; E81-R84 PolarHBondContact OE2-NH2 3.46Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 2.98Å
85D77Confident89.7Confident68 Ų6853.9 Ų53.936%0.36429%0.286SS..Hα-helixtrans-103.6-21.8-166.9-61.9-22.7000112.6E81 P157E81-D85 PolarHBondContact O-N 3.33Å; E81-D85 VanDerWaalsContact O-N 3.12Å; D85-P157 VanDerWaalsContact OD2-CB 3.31Å; D85-P157 WeakPolarHBondContact OD2-CB 3.3Å
86S76.3Confident88.9Confident13 Ų1358.1 Ų58.19%0.09131%0.305CS..  trans-103.5139.8-179.4-47.50000112.2L82 I88 E139L82-S86 VanDerWaalsContact O-CA 3.29Å; L82-S86 WeakPolarHBondContact O-CA 3.5Å; L82-S86 WeakPolarHBondContact O-CB 3.43Å; L82-S86 PolarHBondContact O-N 3.06Å; L82-S86 VanDerWaalsContact O-O 3.13Å; L82-S86 PolarHBondContact O-OG 2.96Å; S86-I88 PolarHBondContact O-N 2.86Å; S86-E139 VanDerWaalsContact OG-CG 3.26Å; S86-E139 WeakPolarHBondContact OG-CG 3.34Å
87K83.2Confident88.3Confident208 Ų20857.5 Ų57.590%0.90431%0.307SS*.  trans-7832.3171.5-60.5-175.6-179.5-178.50112.6
88I87.2Confident87.6Confident14 Ų1461.4 Ų61.47%0.07233%0.329CS..  trans-98.4138.1-173-58.7169.1000108.5S86 V90 L135 A136S86-I88 PolarHBondContact O-N 2.86Å; I88-V90 PolarHBondContact O-N 2.81Å; I88-V90 VanDerWaalsContact O-N 3.12Å; I88-L135 HydrophobicContact CD1-CB 3.51Å; I88-L135 HydrophobicContact CG1-CB 3.72Å; I88-L135 HydrophobicContact CG1-CD1 4.14Å; I88-A136 HydrophobicContact CD1-CB 3.66Å; I88-A136 VanDerWaalsContact CD1-N 3.25Å
89V86.1Confident87Confident141 Ų14169.3 Ų69.386%0.85536%0.364SS*.  trans-77.498.1168-178.10000107.8
90V89.6Confident86.4Confident14 Ų1470.5 Ų70.59%0.08537%0.367CS..PPolyproline II helixtrans-71127-178.3175.60000109.9K79 L82 E83 I88 F126 I130K79-V90 HydrophobicContact CB-CG1 4.11Å; K79-V90 HydrophobicContact CD-CG1 4.06Å; K79-V90 HydrophobicContact CG-CG1 3.64Å; L82-V90 HydrophobicContact CB-CG2 3.78Å; E83-V90 HydrophobicContact CG-CB 3.86Å; E83-V90 HydrophobicContact CG-CG2 3.68Å; I88-V90 PolarHBondContact O-N 2.81Å; I88-V90 VanDerWaalsContact O-N 3.12Å; V90-F126 HydrophobicContact CG1-CE2 3.67Å; V90-F126 HydrophobicContact CG1-CZ 4.16Å; V90-I130 HydrophobicContact CB-CD1 4.44Å; V90-I130 HydrophobicContact CG1-CD1 4.06Å; V90-I130 HydrophobicContact CG2-CD1 4.29Å
91P91.3Very high85.9Confident21 Ų2171.7 Ų71.714%0.13637%0.369CS..PPolyproline II helixtrans-57.9151.1175.5-23.133.4000111.9F126 R129 I130P91-F126 HydrophobicContact CB-CD2 4.21Å; P91-F126 WeakPolarHBondContact O-CD2 3.34Å; P91-F126 WeakPolarHBondContact O-CE2 3.48Å; P91-R129 HydrophobicContact CG-CB 3.82Å; P91-I130 HydrophobicContact CG-CD1 4.34Å
92P90.8Very high85.6Confident106 Ų10675.9 Ų75.969%0.68839%0.392SS*.PPolyproline II helixtrans-66.1142.3175.728.6-34.3000110.8
93L92.5Very high85Confident27 Ų2780.3 Ų80.314%0.14142%0.421CS..PPolyproline II helixtrans-76.7154.2168.7-74.2168.5000110.5Y72 F75 E76 K79 G95 L123 F126Y72-L93 HydrophobicContact CE2-CB 4.37Å; F75-L93 HydrophobicContact CB-CD2 3.85Å; E76-L93 HydrophobicContact CB-CD1 4.32Å; E76-L93 HydrophobicContact CG-CD1 3.88Å; K79-L93 HydrophobicContact CB-CD1 4.04Å; K79-L93 HydrophobicContact CD-CD1 3.76Å; K79-L93 HydrophobicContact CD-CG 3.95Å; L93-G95 PolarHBondContact O-N 3.35Å; L93-L123 HydrophobicContact CD2-CD2 4.02Å; L93-F126 HydrophobicContact CD2-CB 4.22Å; L93-F126 HydrophobicContact CD2-CD1 3.63Å; L93-F126 HydrophobicContact CD2-CD2 3.59Å; L93-F126 HydrophobicContact CD2-CE1 3.8Å; L93-F126 HydrophobicContact CD2-CE2 3.76Å; L93-F126 HydrophobicContact CD2-CG 3.52Å; L93-F126 HydrophobicContact CD2-CZ 3.87Å; L93-F126 HydrophobicContact CG-CD2 4.08Å; L93-F126 HydrophobicContact CG-CE2 4.02Å; L93-F126 HydrophobicContact CG-CG 4.49Å; L93-F126 HydrophobicContact CG-CZ 4.38Å
94P90.7Very high84.5Confident25 Ų2586 Ų8616%0.16245%0.445CS..SBendtrans-57.1141.2167.924.5-31.8000109.5Y72 K96 R119 L123Y72-P94 HydrophobicContact CE2-CG 4.25Å; Y72-P94 WeakPolarHBondContact CE2-O 3.33Å; Y72-P94 PolarHBondContact OH-O 2.94Å; Y72-P94 VanDerWaalsContact OH-O 3.08Å; P94-K96 PolarHBondContact O-N 3.04Å; P94-R119 HydrophobicContact CG-CG 4.23Å; P94-L123 HydrophobicContact CG-CD2 3.79Å; P94-L123 HydrophobicContact CG-CG 3.88Å
95G82.7Confident84.5Confident54 Ų5484.3 Ų84.356%0.55744%0.438SS*.PPolyproline II helixtrans-53.3138.8-168.600000114L93 A97 R119L93-G95 PolarHBondContact O-N 3.35Å; G95-A97 PolarHBondContact O-N 2.91Å; G95-R119 PolarHBondContact O-NH2 3.06Å
96K79.9Confident84.7Confident90 Ų9085.7 Ų85.739%0.39147%0.469SS..  trans-57.8-18.9175.3-165.1167.8-165.6139.60113.3Y72 E76 P94 L98 R119Y72-K96 HydrophobicContact CE1-CB 4.22Å; Y72-K96 HydrophobicContact CE1-CG 3.99Å; E76-K96 VanDerWaalsContact CD-NZ 3.26Å; E76-K96 WeakPolarHBondContact OE1-CD 3.42Å; E76-K96 IonicContact OE1-NZ 3.4Å; E76-K96 PolarHBondContact OE1-NZ 2.88Å; E76-K96 IonicContact OE2-NZ 3.48Å; E76-K96 PolarHBondContact OE2-NZ 3.22Å; P94-K96 PolarHBondContact O-N 3.04Å; K96-L98 HydrophobicContact CD-CD2 4.15Å; K96-L98 HydrophobicContact CG-CD2 4.19Å; K96-L98 HydrophobicContact CG-CG 4.47Å; K96-L98 PolarHBondContact O-N 2.71Å; K96-R119 PolarHBondContact O-NH2 3.47Å
97A84.8Confident85.1Confident27 Ų2787.7 Ų87.722%0.22348%0.478CS..  trans53.447174.500000113.6G95 K99 R100 L110 F115G95-A97 PolarHBondContact O-N 2.91Å; A97-K99 PolarHBondContact O-N 3.45Å; A97-K99 VanDerWaalsContact O-N 3.08Å; A97-R100 HydrophobicContact CB-CB 4.21Å; A97-R100 HydrophobicContact CB-CG 4.1Å; A97-R100 WeakPolarHBondContact O-CA 3.29Å; A97-R100 WeakPolarHBondContact O-CB 3.45Å; A97-R100 PolarHBondContact O-N 3.28Å; A97-L110 HydrophobicContact CB-CD2 4.3Å; A97-F115 HydrophobicContact CB-CE2 3.61Å; A97-F115 HydrophobicContact CB-CZ 3.47Å; A97-F115 VanDerWaalsContact CB-CZ 3.47Å
98L80.3Confident85.1Confident110 Ų11084 Ų8458%0.57646%0.464SS*.G310 helixtrans-52.3-34-179.3-66.8171.6000113.2K96 R100 Q101K96-L98 HydrophobicContact CD-CD2 4.15Å; K96-L98 HydrophobicContact CG-CD2 4.19Å; K96-L98 HydrophobicContact CG-CG 4.47Å; K96-L98 PolarHBondContact O-N 2.71Å; L98-R100 PolarHBondContact O-N 3.08Å; L98-Q101 WeakPolarHBondContact O-CB 3.31Å; L98-Q101 PolarHBondContact O-N 2.85Å; L98-Q101 VanDerWaalsContact O-N 3.11Å
99K82.7Confident85Confident167 Ų16783.6 Ų83.673%0.72646%0.463SS*.G310 helixtrans-64-26.2176-65.8-178.4179.8-179.40113.7A97 Q101 R105A97-K99 PolarHBondContact O-N 3.45Å; A97-K99 VanDerWaalsContact O-N 3.08Å; K99-Q101 VanDerWaalsContact C-N 3.28Å; K99-R105 PolarHBondContact O-NH1 2.96Å; K99-R105 VanDerWaalsContact O-NH1 3.15Å
100R83.3Confident85Confident65 Ų6578.2 Ų78.225%0.24543%0.43CS..G310 helixtrans-79.5-9.3176.7-66.2-176.2174.6-96.36.2112.8A97 L98 G109 L110 E112 F115A97-R100 HydrophobicContact CB-CB 4.21Å; A97-R100 HydrophobicContact CB-CG 4.1Å; A97-R100 WeakPolarHBondContact O-CA 3.29Å; A97-R100 WeakPolarHBondContact O-CB 3.45Å; A97-R100 PolarHBondContact O-N 3.28Å; L98-R100 PolarHBondContact O-N 3.08Å; R100-G109 PolarHBondContact NH1-O 3.49Å; R100-G109 WeakPolarHBondContact O-CA 3.43Å; R100-L110 HydrophobicContact CB-CD2 3.9Å; R100-L110 HydrophobicContact CB-CG 4.29Å; R100-E112 IonicContact CZ-OE2 3.61Å; R100-E112 IonicContact NH1-OE2 3.65Å; R100-E112 PolarHBondContact NH1-OE2 2.77Å; R100-E112 IonicContact NH2-OE2 2.64Å; R100-F115 VanDerWaalsContact CD-CD2 3.48Å; R100-F115 VanDerWaalsContact NE-CD2 3.31Å
101Q83.1Confident85Confident113 Ų11379.9 Ų79.953%0.52844%0.435SS..G310 helixtrans-85.9-11.5172.6-68.9179-9.300113.4L98 K99 L110L98-Q101 WeakPolarHBondContact O-CB 3.31Å; L98-Q101 PolarHBondContact O-N 2.85Å; L98-Q101 VanDerWaalsContact O-N 3.11Å; K99-Q101 VanDerWaalsContact C-N 3.28Å; Q101-L110 HydrophobicContact CG-CD1 3.41Å; Q101-L110 VanDerWaalsContact CG-CD1 3.41Å; Q101-L110 HydrophobicContact CG-CD2 4.43Å; Q101-L110 HydrophobicContact CG-CG 3.98Å
102L85.1Confident85Confident109 Ų10981.8 Ų81.857%0.57144%0.443SS*.SBendtrans-66.5140.1-178.3-69.1171.6000110.8R105L102-R105 WeakPolarHBondContact O-CD 3.5Å; L102-R105 WeakPolarHBondContact O-CG 3.45Å
103P79.2Confident85.1Confident94 Ų9484.7 Ų84.761%0.6145%0.447SS*.SBendtrans-70.7166.2176.331.1-35.2000111.6R105P103-R105 PolarHBondContact O-N 3.05Å
104F82.5Confident85Confident211 Ų21186.7 Ų86.793%0.92547%0.467SS*.SBendtrans63.534.6175.1-45.6-73.4000114.9
105R85.6Confident85.1Confident94 Ų9486 Ų8636%0.35546%0.462SS..  trans-80.7155.5169.9-64174.861.880.710.1110.4K99 L102 P103 D107K99-R105 PolarHBondContact O-NH1 2.96Å; K99-R105 VanDerWaalsContact O-NH1 3.15Å; L102-R105 WeakPolarHBondContact O-CD 3.5Å; L102-R105 WeakPolarHBondContact O-CG 3.45Å; P103-R105 PolarHBondContact O-N 3.05Å; R105-D107 WeakPolarHBondContact CB-OD1 3.45Å; R105-D107 IonicContact CZ-OD1 2.71Å; R105-D107 IonicContact CZ-OD2 3.28Å; R105-D107 IonicContact NE-OD1 3.57Å; R105-D107 PolarHBondContact NE-OD1 3.4Å; R105-D107 IonicContact NE-OD2 2.84Å; R105-D107 IonicContact NH2-OD1 3.62Å; R105-D107 PolarHBondContact NH2-OD1 3.41Å; R105-D107 IonicContact NH2-OD2 2.72Å; R105-D107 PolarHBondContact NH2-OD2 3.33Å
106G81.2Confident85.6Confident97 Ų9784 Ų84100%144%0.438SS*.SBendtrans-81.9-0.3171.800000114.1
107D84.9Confident86.4Confident54 Ų5483.7 Ų83.729%0.28944%0.438SS..SBendtrans-124.1172.6176.963.221.5000110.6R105 G109R105-D107 WeakPolarHBondContact CB-OD1 3.45Å; R105-D107 IonicContact CZ-OD1 2.71Å; R105-D107 IonicContact CZ-OD2 3.28Å; R105-D107 IonicContact NE-OD1 3.57Å; R105-D107 PolarHBondContact NE-OD1 3.4Å; R105-D107 IonicContact NE-OD2 2.84Å; R105-D107 IonicContact NH2-OD1 3.62Å; R105-D107 PolarHBondContact NH2-OD1 3.41Å; R105-D107 IonicContact NH2-OD2 2.72Å; R105-D107 PolarHBondContact NH2-OD2 3.33Å; D107-G109 PolarHBondContact O-N 2.99Å; D107-G109 WeakPolarHBondContact OD1-CA 3.32Å; D107-G109 PolarHBondContact OD1-N 3.46Å
108E82.8Confident86.8Confident132 Ų13288.5 Ų88.562%0.61746%0.456SS*.  trans-77.410.6176.8-65.8-62.8143.400113.3L110 F111 E112E108-L110 PolarHBondContact O-N 3.01Å; E108-F111 HydrophobicContact CB-CB 4.31Å; E108-F111 PolarHBondContact O-N 3.17Å; E108-E112 HydrophobicContact CB-CB 4.49Å
109G86.8Confident87.5Confident4 Ų484.1 Ų84.14%0.04143%0.432CS..G310 helixtrans58.4-107.7173.400000114.2R100 D107 F111R100-G109 PolarHBondContact NH1-O 3.49Å; R100-G109 WeakPolarHBondContact O-CA 3.43Å; D107-G109 PolarHBondContact O-N 2.99Å; D107-G109 WeakPolarHBondContact OD1-CA 3.32Å; D107-G109 PolarHBondContact OD1-N 3.46Å; G109-F111 VanDerWaalsContact C-N 3.29Å
110L85.8Confident88.2Confident29 Ų2978 Ų7815%0.15240%0.404CS..G310 helixtrans-77.4-13.7177.9-70.9-176.7000113.8A97 R100 Q101 E108 F115A97-L110 HydrophobicContact CB-CD2 4.3Å; R100-L110 HydrophobicContact CB-CD2 3.9Å; R100-L110 HydrophobicContact CB-CG 4.29Å; Q101-L110 HydrophobicContact CG-CD1 3.41Å; Q101-L110 VanDerWaalsContact CG-CD1 3.41Å; Q101-L110 HydrophobicContact CG-CD2 4.43Å; Q101-L110 HydrophobicContact CG-CG 3.98Å; E108-L110 PolarHBondContact O-N 3.01Å; L110-F115 HydrophobicContact CB-CE1 4.39Å; L110-F115 HydrophobicContact CD2-CD1 4.39Å; L110-F115 HydrophobicContact CD2-CE1 3.47Å; L110-F115 VanDerWaalsContact CD2-CE1 3.47Å; L110-F115 HydrophobicContact CD2-CZ 3.81Å; L110-F115 WeakPolarHBondContact O-CD1 3.33Å
111F89.3Confident88.8Confident48 Ų4877.2 Ų77.221%0.21141%0.407CS..G310 helixtrans-105.74.9-176.2-51.1-71.3000112.4I39 R46 E108 G109 E113I39-F111 HydrophobicContact CD1-CB 4.09Å; I39-F111 HydrophobicContact CD1-CD1 3.79Å; I39-F111 HydrophobicContact CD1-CG 4.29Å; I39-F111 HydrophobicContact CG1-CD1 4.05Å; I39-F111 HydrophobicContact CG2-CD1 4.08Å; I39-F111 HydrophobicContact CG2-CE1 4Å; R46-F111 HydrophobicContact CB-CE1 3.9Å; R46-F111 HydrophobicContact CB-CZ 3.63Å; E108-F111 HydrophobicContact CB-CB 4.31Å; E108-F111 PolarHBondContact O-N 3.17Å; G109-F111 VanDerWaalsContact C-N 3.29Å; F111-E113 PolarHBondContact O-N 2.55Å
112E92Very high89.5Confident62 Ų6272.7 Ų72.729%0.2939%0.39SS..  trans-65129.4171.2-176-179.5-158.200110.1R100 E108 A114 F115 I116R100-E112 IonicContact CZ-OE2 3.61Å; R100-E112 IonicContact NH1-OE2 3.65Å; R100-E112 PolarHBondContact NH1-OE2 2.77Å; R100-E112 IonicContact NH2-OE2 2.64Å; E108-E112 HydrophobicContact CB-CB 4.49Å; E112-A114 VanDerWaalsContact C-N 3.34Å; E112-A114 HydrophobicContact CG-CB 4.41Å; E112-A114 PolarHBondContact O-N 3.32Å; E112-F115 HydrophobicContact CB-CB 4.18Å; E112-F115 WeakPolarHBondContact O-CB 3.35Å; E112-F115 PolarHBondContact O-N 3.16Å; E112-I116 WeakPolarHBondContact O-CG1 3.39Å; E112-I116 PolarHBondContact O-N 3.17Å
113E91.5Very high90.1Very high167 Ų16767.5 Ų67.578%0.7836%0.363SS*.Hα-helixtrans-57.9-44-175.1-173.5176.2-173.300112.5F111 F115 I116 E117F111-E113 PolarHBondContact O-N 2.55Å; E113-F115 PolarHBondContact O-N 3.21Å; E113-I116 PolarHBondContact O-N 2.97Å; E113-I116 VanDerWaalsContact O-N 3.15Å; E113-E117 PolarHBondContact O-N 3.06Å
114A91.6Very high91Very high68 Ų6865.5 Ų65.556%0.56235%0.346SS*.Hα-helixtrans-57.8-38.7176.600000112.2E112 E118E112-A114 VanDerWaalsContact C-N 3.34Å; E112-A114 HydrophobicContact CG-CB 4.41Å; E112-A114 PolarHBondContact O-N 3.32Å; A114-E118 WeakPolarHBondContact O-CB 3.41Å; A114-E118 PolarHBondContact O-N 3.32Å
115F92.3Very high91.6Very high10 Ų1060.3 Ų60.34%0.04432%0.324CS..Hα-helixtrans-73.5-39.3177.7175.7-104.5000112.4A97 R100 L110 E112 E113 E117 R119A97-F115 HydrophobicContact CB-CE2 3.61Å; A97-F115 HydrophobicContact CB-CZ 3.47Å; A97-F115 VanDerWaalsContact CB-CZ 3.47Å; R100-F115 VanDerWaalsContact CD-CD2 3.48Å; R100-F115 VanDerWaalsContact NE-CD2 3.31Å; L110-F115 HydrophobicContact CB-CE1 4.39Å; L110-F115 HydrophobicContact CD2-CD1 4.39Å; L110-F115 HydrophobicContact CD2-CE1 3.47Å; L110-F115 VanDerWaalsContact CD2-CE1 3.47Å; L110-F115 HydrophobicContact CD2-CZ 3.81Å; L110-F115 WeakPolarHBondContact O-CD1 3.33Å; E112-F115 HydrophobicContact CB-CB 4.18Å; E112-F115 WeakPolarHBondContact O-CB 3.35Å; E112-F115 PolarHBondContact O-N 3.16Å; E113-F115 PolarHBondContact O-N 3.21Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.3Å; F115-R119 VanDerWaalsContact CE1-CZ 3.48Å; F115-R119 VanDerWaalsContact CZ-CZ 3.42Å; F115-R119 VanDerWaalsContact CZ-NH2 3.26Å; F115-R119 VanDerWaalsContact O-CB 3.29Å; F115-R119 WeakPolarHBondContact O-CB 3.45Å; F115-R119 PolarHBondContact O-N 3.13Å
116I94Very high92.2Very high14 Ų1455.9 Ų55.97%0.07231%0.308CS..Hα-helixtrans-59.8-44175.6-71.6172.9000110.1P37 T48 Y50 E112 E113 R119 R120P37-I116 HydrophobicContact CB-CG2 3.3Å; P37-I116 HydrophobicContact CG-CG2 3.66Å; T48-I116 HydrophobicContact CG2-CD1 4.34Å; T48-I116 HydrophobicContact CG2-CG1 4.38Å; T48-I116 HydrophobicContact CG2-CG2 4.23Å; Y50-I116 HydrophobicContact CE1-CG2 4.09Å; E112-I116 WeakPolarHBondContact O-CG1 3.39Å; E112-I116 PolarHBondContact O-N 3.17Å; E113-I116 PolarHBondContact O-N 2.97Å; E113-I116 VanDerWaalsContact O-N 3.15Å; I116-R119 PolarHBondContact O-N 3.48Å; I116-R120 WeakPolarHBondContact O-CB 3.42Å; I116-R120 PolarHBondContact O-N 3.38Å
117E94.9Very high92.9Very high82 Ų8251.3 Ų51.338%0.38326%0.26SS..Hα-helixtrans-69.3-45.7179.3-178.155.3-155.500112.3E113 F115 R119 R120 V121E113-E117 PolarHBondContact O-N 3.06Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.3Å; E117-R119 VanDerWaalsContact C-N 3.25Å; E117-R119 PolarHBondContact O-N 3.28Å; E117-R120 VanDerWaalsContact CD-NE 3.25Å; E117-R120 WeakPolarHBondContact O-CB 3.2Å; E117-R120 PolarHBondContact O-N 3.05Å; E117-R120 VanDerWaalsContact O-N 3.1Å; E117-R120 IonicContact OE1-CZ 3.65Å; E117-R120 VanDerWaalsContact OE1-CZ 3.28Å; E117-R120 IonicContact OE1-NE 3.78Å; E117-R120 PolarHBondContact OE1-NE 3.27Å; E117-R120 IonicContact OE1-NH2 3.45Å; E117-R120 PolarHBondContact OE1-NH2 3.47Å; E117-R120 WeakPolarHBondContact OE2-CD 3.37Å; E117-R120 IonicContact OE2-CZ 3.88Å; E117-R120 IonicContact OE2-NE 2.92Å; E117-R120 PolarHBondContact OE2-NE 2.82Å; E117-V121 WeakPolarHBondContact O-CG2 3.33Å; E117-V121 PolarHBondContact O-N 3.31Å
118E94.1Very high93.5Very high128 Ų12851.2 Ų51.260%0.59826%0.259SS*.Hα-helixtrans-54.4-45.6173.7-175.8-167163.300111A114 G122A114-E118 WeakPolarHBondContact O-CB 3.41Å; A114-E118 PolarHBondContact O-N 3.32Å; E118-G122 PolarHBondContact O-N 3Å; E118-G122 VanDerWaalsContact O-N 3.11Å
119R95.6Very high94Very high18 Ų1852.2 Ų52.27%0.06826%0.258CS..Hα-helixtrans-65.6-43.7176.7176.9175.6-78.7177.7-9111.6Y50 Y72 P94 G95 K96 F115 I116 E117 V121 G122 L123Y50-R119 WeakPolarHBondContact OH-CD 3.27Å; Y50-R119 WeakPolarHBondContact OH-CG 3.47Å; Y72-R119 HydrophobicContact CD2-CG 4.42Å; P94-R119 HydrophobicContact CG-CG 4.23Å; G95-R119 PolarHBondContact O-NH2 3.06Å; K96-R119 PolarHBondContact O-NH2 3.47Å; F115-R119 VanDerWaalsContact CE1-CZ 3.48Å; F115-R119 VanDerWaalsContact CZ-CZ 3.42Å; F115-R119 VanDerWaalsContact CZ-NH2 3.26Å; F115-R119 VanDerWaalsContact O-CB 3.29Å; F115-R119 WeakPolarHBondContact O-CB 3.45Å; F115-R119 PolarHBondContact O-N 3.13Å; I116-R119 PolarHBondContact O-N 3.48Å; E117-R119 VanDerWaalsContact C-N 3.25Å; E117-R119 PolarHBondContact O-N 3.28Å; R119-V121 PolarHBondContact O-N 3.49Å; R119-G122 PolarHBondContact O-N 3.37Å; R119-L123 HydrophobicContact CG-CD1 3.84Å; R119-L123 HydrophobicContact CG-CG 4.14Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 VanDerWaalsContact O-CG 3.25Å; R119-L123 WeakPolarHBondContact O-CG 3.14Å; R119-L123 PolarHBondContact O-N 3.47Å
120R96.7Very high94.4Very high39 Ų3952.1 Ų52.115%0.14726%0.256CS..Hα-helixtrans-56.4-51179.1-173.3-155.267.669.30.5110.9V34 Y50 I116 E117 G122 L123 E124V34-R120 HydrophobicContact CB-CG 4.42Å; V34-R120 HydrophobicContact CG1-CG 4.09Å; V34-R120 WeakPolarHBondContact O-CD 3.45Å; V34-R120 WeakPolarHBondContact O-CG 3.44Å; V34-R120 PolarHBondContact O-NH1 2.77Å; Y50-R120 HydrophobicContact CD1-CB 4.26Å; Y50-R120 HydrophobicContact CD1-CG 4.1Å; Y50-R120 HydrophobicContact CE1-CB 3.92Å; Y50-R120 HydrophobicContact CE1-CG 4.27Å; I116-R120 WeakPolarHBondContact O-CB 3.42Å; I116-R120 PolarHBondContact O-N 3.38Å; E117-R120 VanDerWaalsContact CD-NE 3.25Å; E117-R120 WeakPolarHBondContact O-CB 3.2Å; E117-R120 PolarHBondContact O-N 3.05Å; E117-R120 VanDerWaalsContact O-N 3.1Å; E117-R120 IonicContact OE1-CZ 3.65Å; E117-R120 VanDerWaalsContact OE1-CZ 3.28Å; E117-R120 IonicContact OE1-NE 3.78Å; E117-R120 PolarHBondContact OE1-NE 3.27Å; E117-R120 IonicContact OE1-NH2 3.45Å; E117-R120 PolarHBondContact OE1-NH2 3.47Å; E117-R120 WeakPolarHBondContact OE2-CD 3.37Å; E117-R120 IonicContact OE2-CZ 3.88Å; E117-R120 IonicContact OE2-NE 2.92Å; E117-R120 PolarHBondContact OE2-NE 2.82Å; R120-G122 VanDerWaalsContact C-N 3.33Å; R120-G122 PolarHBondContact O-N 3.2Å; R120-L123 PolarHBondContact O-N 2.76Å; R120-E124 IonicContact CZ-OE2 3.57Å; R120-E124 IonicContact NH1-OE2 2.64Å; R120-E124 PolarHBondContact NH1-OE2 3.34Å; R120-E124 PolarHBondContact O-N 3Å
121V96.5Very high94.9Very high49 Ų4950.7 Ų50.730%0.29725%0.249SC..Hα-helixtrans-57.7-45.6176.3174.70000111.1E117 R119 L123 E124 Q125E117-V121 WeakPolarHBondContact O-CG2 3.33Å; E117-V121 PolarHBondContact O-N 3.31Å; R119-V121 PolarHBondContact O-N 3.49Å; V121-L123 PolarHBondContact O-N 2.82Å; V121-E124 PolarHBondContact O-N 3.47Å; V121-Q125 WeakPolarHBondContact O-CG 3.43Å; V121-Q125 PolarHBondContact O-N 3.05Å
122G96.8Very high95Very high18 Ų1850.7 Ų50.719%0.18626%0.262CS..Hα-helixtrans-64-38178.700000113.5E118 R119 R120 F126E118-G122 PolarHBondContact O-N 3Å; E118-G122 VanDerWaalsContact O-N 3.11Å; R119-G122 PolarHBondContact O-N 3.37Å; R120-G122 VanDerWaalsContact C-N 3.33Å; R120-G122 PolarHBondContact O-N 3.2Å; G122-F126 WeakPolarHBondContact O-CB 3.2Å; G122-F126 PolarHBondContact O-N 2.61Å
123L97.7Very high95.1Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-68.8-40.2176.5-69.2175.3000111.8V34 Y50 Y72 F75 L93 P94 R119 R120 V121 F126 I127V34-L123 HydrophobicContact CG1-CB 4.49Å; Y50-L123 HydrophobicContact CD2-CD1 3.87Å; Y50-L123 HydrophobicContact CE2-CD1 3.65Å; Y72-L123 HydrophobicContact CD2-CD2 4Å; Y72-L123 HydrophobicContact CE2-CD2 4.39Å; F75-L123 HydrophobicContact CB-CD2 3.95Å; F75-L123 HydrophobicContact CD1-CB 4.43Å; F75-L123 HydrophobicContact CD1-CD2 3.8Å; F75-L123 HydrophobicContact CD2-CD1 4.22Å; F75-L123 HydrophobicContact CD2-CD2 3.94Å; F75-L123 HydrophobicContact CE1-CB 3.98Å; F75-L123 HydrophobicContact CE1-CD2 4.18Å; F75-L123 HydrophobicContact CE2-CD1 4.01Å; F75-L123 HydrophobicContact CE2-CD2 4.33Å; F75-L123 HydrophobicContact CG-CD2 3.66Å; F75-L123 HydrophobicContact CZ-CB 4.05Å; F75-L123 HydrophobicContact CZ-CD1 4.31Å; F75-L123 HydrophobicContact CZ-CD2 4.44Å; F75-L123 HydrophobicContact CZ-CG 4.5Å; L93-L123 HydrophobicContact CD2-CD2 4.02Å; P94-L123 HydrophobicContact CG-CD2 3.79Å; P94-L123 HydrophobicContact CG-CG 3.88Å; R119-L123 HydrophobicContact CG-CD1 3.84Å; R119-L123 HydrophobicContact CG-CG 4.14Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 VanDerWaalsContact O-CG 3.25Å; R119-L123 WeakPolarHBondContact O-CG 3.14Å; R119-L123 PolarHBondContact O-N 3.47Å; R120-L123 PolarHBondContact O-N 2.76Å; V121-L123 PolarHBondContact O-N 2.82Å; L123-F126 PolarHBondContact O-N 3.37Å; L123-I127 WeakPolarHBondContact O-CG2 3.35Å; L123-I127 PolarHBondContact O-N 3.31Å
124E97.5Very high95.1Very high52 Ų5247 Ų4724%0.24325%0.252CS..Hα-helixtrans-61.5-47.2174.8-167.7-172.9131.400111.5V34 R120 V121 F126 I127 N128V34-E124 HydrophobicContact CB-CB 4.04Å; V34-E124 HydrophobicContact CB-CG 4.45Å; V34-E124 HydrophobicContact CG2-CB 3.98Å; V34-E124 HydrophobicContact CG2-CG 4.32Å; R120-E124 IonicContact CZ-OE2 3.57Å; R120-E124 IonicContact NH1-OE2 2.64Å; R120-E124 PolarHBondContact NH1-OE2 3.34Å; R120-E124 PolarHBondContact O-N 3Å; V121-E124 PolarHBondContact O-N 3.47Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 3.08Å; E124-I127 WeakPolarHBondContact O-CG2 3.36Å; E124-I127 PolarHBondContact O-N 3.02Å; E124-N128 WeakPolarHBondContact O-CB 3.37Å; E124-N128 PolarHBondContact O-N 3.27Å; E124-N128 PolarHBondContact O-ND2 2.95Å
125Q96.5Very high95.1Very high101 Ų10147.9 Ų47.947%0.47225%0.247SC..Hα-helixtrans-61.8-40.8176.1-71.1177.515.900112V121 R129V121-Q125 WeakPolarHBondContact O-CG 3.43Å; V121-Q125 PolarHBondContact O-N 3.05Å; Q125-R129 VanDerWaalsContact O-CG 3.26Å; Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 3.15Å
126F96.9Very high95.2Very high2 Ų247.4 Ų47.41%0.00924%0.244CC..Hα-helixtrans-61.1-51.8177.2167.6-91.7000111.5F75 L78 K79 V90 P91 L93 G122 L123 E124 R129 I130F75-F126 AromaticContact CD1-CD1 3.89Å; F75-F126 HydrophobicContact CD1-CD1 3.89Å; F75-F126 HydrophobicContact CD1-CE1 4.12Å; L78-F126 HydrophobicContact CD2-CE1 4.33Å; K79-F126 HydrophobicContact CB-CE2 4.32Å; K79-F126 HydrophobicContact CB-CZ 3.96Å; V90-F126 HydrophobicContact CG1-CE2 3.67Å; V90-F126 HydrophobicContact CG1-CZ 4.16Å; P91-F126 HydrophobicContact CB-CD2 4.21Å; P91-F126 WeakPolarHBondContact O-CD2 3.34Å; P91-F126 WeakPolarHBondContact O-CE2 3.48Å; L93-F126 HydrophobicContact CD2-CB 4.22Å; L93-F126 HydrophobicContact CD2-CD1 3.63Å; L93-F126 HydrophobicContact CD2-CD2 3.59Å; L93-F126 HydrophobicContact CD2-CE1 3.8Å; L93-F126 HydrophobicContact CD2-CE2 3.76Å; L93-F126 HydrophobicContact CD2-CG 3.52Å; L93-F126 HydrophobicContact CD2-CZ 3.87Å; L93-F126 HydrophobicContact CG-CD2 4.08Å; L93-F126 HydrophobicContact CG-CE2 4.02Å; L93-F126 HydrophobicContact CG-CG 4.49Å; L93-F126 HydrophobicContact CG-CZ 4.38Å; G122-F126 WeakPolarHBondContact O-CB 3.2Å; G122-F126 PolarHBondContact O-N 2.61Å; L123-F126 PolarHBondContact O-N 3.37Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 3.08Å; F126-R129 PolarHBondContact O-N 3.47Å; F126-I130 HydrophobicContact CD2-CG1 4.49Å; F126-I130 HydrophobicContact CE1-CG1 4.26Å; F126-I130 HydrophobicContact CE2-CG1 4.05Å; F126-I130 HydrophobicContact CZ-CG1 3.91Å; F126-I130 PolarHBondContact O-N 2.95Å
127I97.4Very high95.1Very high0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-70.5-36.7-173.7-16760.4000112.1I32 V34 F75 L78 L123 E124 R129 I130 A131 L142 F145 L146I32-I127 HydrophobicContact CB-CG2 4.22Å; I32-I127 HydrophobicContact CD1-CG1 4.05Å; I32-I127 HydrophobicContact CG2-CG1 4.2Å; I32-I127 HydrophobicContact CG2-CG2 3.65Å; V34-I127 HydrophobicContact CG2-CG2 4.07Å; F75-I127 HydrophobicContact CE1-CB 4.19Å; L78-I127 HydrophobicContact CD2-CD1 3.67Å; L123-I127 WeakPolarHBondContact O-CG2 3.35Å; L123-I127 PolarHBondContact O-N 3.31Å; E124-I127 WeakPolarHBondContact O-CG2 3.36Å; E124-I127 PolarHBondContact O-N 3.02Å; I127-R129 PolarHBondContact O-N 3.33Å; I127-I130 PolarHBondContact O-N 3.22Å; I127-A131 VanDerWaalsContact O-CB 3.25Å; I127-A131 WeakPolarHBondContact O-CB 3.19Å; I127-A131 PolarHBondContact O-N 2.95Å; I127-L142 HydrophobicContact CD1-CD1 4.08Å; I127-F145 HydrophobicContact CD1-CD1 3.89Å; I127-F145 HydrophobicContact CD1-CE1 3.74Å; I127-F145 HydrophobicContact CG1-CE1 4.19Å; I127-L146 HydrophobicContact CD1-CD2 4.11Å; I127-L146 HydrophobicContact CG1-CD2 3.91Å
128N96.3Very high95Very high52 Ų5247.1 Ų47.128%0.27825%0.245SC..Hα-helixtrans-62.8-41.7174.8-81.7-71.3000111.9I32 E124 G132I32-N128 PolarHBondContact N-OD1 3.23Å; I32-N128 PolarHBondContact O-ND2 2.81Å; E124-N128 WeakPolarHBondContact O-CB 3.37Å; E124-N128 PolarHBondContact O-N 3.27Å; E124-N128 PolarHBondContact O-ND2 2.95Å; N128-G132 PolarHBondContact O-N 3.28Å
129R94.7Very high95Very high154 Ų15441.9 Ų41.958%0.58122%0.22SC*.Hα-helixtrans-64.8-41.7176.4-73.2177.1-169.2-178.67.5112.4P91 Q125 F126 I127P91-R129 HydrophobicContact CG-CB 3.82Å; Q125-R129 VanDerWaalsContact O-CG 3.26Å; Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 3.15Å; F126-R129 PolarHBondContact O-N 3.47Å; I127-R129 PolarHBondContact O-N 3.33Å
130I95.2Very high95Very high1 Ų145.7 Ų45.71%0.00524%0.235CC..Hα-helixtrans-67.3-50.6177.7-75.5-57.6000111L82 V90 P91 F126 I127 G132 H133 A136 L142L82-I130 HydrophobicContact CD1-CD1 4.05Å; L82-I130 HydrophobicContact CD1-CG1 4.35Å; L82-I130 HydrophobicContact CD1-CG2 3.5Å; V90-I130 HydrophobicContact CB-CD1 4.44Å; V90-I130 HydrophobicContact CG1-CD1 4.06Å; V90-I130 HydrophobicContact CG2-CD1 4.29Å; P91-I130 HydrophobicContact CG-CD1 4.34Å; F126-I130 HydrophobicContact CD2-CG1 4.49Å; F126-I130 HydrophobicContact CE1-CG1 4.26Å; F126-I130 HydrophobicContact CE2-CG1 4.05Å; F126-I130 HydrophobicContact CZ-CG1 3.91Å; F126-I130 PolarHBondContact O-N 2.95Å; I127-I130 PolarHBondContact O-N 3.22Å; I130-G132 VanDerWaalsContact C-N 3.26Å; I130-G132 PolarHBondContact O-N 2.72Å; I130-H133 WeakPolarHBondContact O-CB 3.5Å; I130-H133 PolarHBondContact O-N 3.1Å; I130-A136 HydrophobicContact CG2-CB 4.12Å; I130-A136 VanDerWaalsContact O-CB 3.3Å; I130-A136 WeakPolarHBondContact O-CB 3.34Å; I130-L142 HydrophobicContact CG2-CD1 3.95Å
131A95.1Very high94.9Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-70.1-24-17500000112.9L30 I32 I127 H133 Q137 L142 L146L30-A131 HydrophobicContact CD2-CB 3.74Å; L30-A131 WeakPolarHBondContact CD2-O 3.16Å; I32-A131 HydrophobicContact CD1-CB 3.34Å; I127-A131 VanDerWaalsContact O-CB 3.25Å; I127-A131 WeakPolarHBondContact O-CB 3.19Å; I127-A131 PolarHBondContact O-N 2.95Å; A131-H133 VanDerWaalsContact C-N 3.27Å; A131-H133 PolarHBondContact O-N 2.64Å; A131-Q137 WeakPolarHBondContact O-CG 3.25Å; A131-Q137 PolarHBondContact O-NE2 3.5Å; A131-L142 HydrophobicContact CB-CD1 4.39Å; A131-L142 HydrophobicContact CB-CD2 4.29Å; A131-L146 HydrophobicContact CB-CD1 4.28Å
132G92.4Very high94.9Very high47 Ų4741.7 Ų41.749%0.48522%0.215SC..THydrogen-bonded Turntrans-73.6-11.9170.500000114.6N128 I130 P134N128-G132 PolarHBondContact O-N 3.28Å; I130-G132 VanDerWaalsContact C-N 3.26Å; I130-G132 PolarHBondContact O-N 2.72Å; G132-P134 WeakPolarHBondContact O-CD 3.35Å
133H93.6Very high94.8Very high69 Ų6941.4 Ų41.432%0.31921%0.209SC..  trans-86.1120.2-176.5-166-71.4000111.5I130 A131 L135 A136 Q137I130-H133 WeakPolarHBondContact O-CB 3.5Å; I130-H133 PolarHBondContact O-N 3.1Å; A131-H133 VanDerWaalsContact C-N 3.27Å; A131-H133 PolarHBondContact O-N 2.64Å; H133-L135 VanDerWaalsContact C-N 3.29Å; H133-L135 PolarHBondContact ND1-N 3.29Å; H133-L135 PolarHBondContact O-N 3.12Å; H133-L135 VanDerWaalsContact O-N 3.14Å; H133-A136 HydrophobicContact CB-CB 4.13Å; H133-A136 PolarHBondContact O-N 3.08Å; H133-Q137 WeakPolarHBondContact O-CG 3.23Å; H133-Q137 PolarHBondContact O-N 3.4Å
134P91.5Very high94.8Very high84 Ų8441.5 Ų41.555%0.54521%0.209SC..Hα-helixtrans-57.3-36.6-174.5-27.334.7000114.5G132 Q137 N138G132-P134 WeakPolarHBondContact O-CD 3.35Å; P134-Q137 PolarHBondContact O-N 2.89Å; P134-N138 PolarHBondContact O-N 3.47Å; P134-N138 PolarHBondContact O-ND2 3Å
135L91.6Very high94.8Very high85 Ų8539 Ų3945%0.44520%0.197SC..Hα-helixtrans-66.8-35.8175.7-62.1-179000112.5I88 H133 N138I88-L135 HydrophobicContact CD1-CB 3.51Å; I88-L135 HydrophobicContact CG1-CB 3.72Å; I88-L135 HydrophobicContact CG1-CD1 4.14Å; H133-L135 VanDerWaalsContact C-N 3.29Å; H133-L135 PolarHBondContact ND1-N 3.29Å; H133-L135 PolarHBondContact O-N 3.12Å; H133-L135 VanDerWaalsContact O-N 3.14Å; L135-N138 PolarHBondContact O-N 3.24Å
136A93.3Very high94.8Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-75.1-3217900000111L82 I88 I130 H133 N138 E139 L142L82-A136 HydrophobicContact CD2-CB 4.24Å; I88-A136 HydrophobicContact CD1-CB 3.66Å; I88-A136 VanDerWaalsContact CD1-N 3.25Å; I130-A136 HydrophobicContact CG2-CB 4.12Å; I130-A136 VanDerWaalsContact O-CB 3.3Å; I130-A136 WeakPolarHBondContact O-CB 3.34Å; H133-A136 HydrophobicContact CB-CB 4.13Å; H133-A136 PolarHBondContact O-N 3.08Å; A136-N138 PolarHBondContact O-N 3.41Å; A136-E139 WeakPolarHBondContact O-CB 3.23Å; A136-E139 PolarHBondContact O-N 3.32Å; A136-L142 HydrophobicContact CB-CD2 4.37Å; A136-L142 WeakPolarHBondContact O-CD2 3.4Å
137Q93.8Very high94.8Very high30 Ų3035.5 Ų35.514%0.1418%0.181CC..Hα-helixtrans-59.9-27.6174-67.2178.6-9.100112.7I60 F61 A131 H133 P134 E139 H143I60-Q137 HydrophobicContact CD1-CB 3.89Å; I60-Q137 VanDerWaalsContact CD1-O 3.23Å; I60-Q137 WeakPolarHBondContact CD1-O 3.44Å; I60-Q137 HydrophobicContact CG2-CB 4.34Å; F61-Q137 HydrophobicContact CZ-CG 4.37Å; A131-Q137 WeakPolarHBondContact O-CG 3.25Å; A131-Q137 PolarHBondContact O-NE2 3.5Å; H133-Q137 WeakPolarHBondContact O-CG 3.23Å; H133-Q137 PolarHBondContact O-N 3.4Å; P134-Q137 PolarHBondContact O-N 2.89Å; Q137-E139 VanDerWaalsContact C-N 3.32Å; Q137-H143 PolarHBondContact O-NE2 2.64Å
138N92.7Very high94.7Very high61 Ų6139.5 Ų39.533%0.32620%0.2SC..THydrogen-bonded Turntrans-78.8-14.6176-66.4-34.6000113.2I60 P134 L135 A136 K159 V160I60-N138 VanDerWaalsContact CD1-OD1 3.3Å; I60-N138 WeakPolarHBondContact CD1-OD1 3.26Å; P134-N138 PolarHBondContact O-N 3.47Å; P134-N138 PolarHBondContact O-ND2 3Å; L135-N138 PolarHBondContact O-N 3.24Å; A136-N138 PolarHBondContact O-N 3.41Å; N138-K159 CarbonylContact O-C 3.48Å; N138-K159 WeakPolarHBondContact O-CA 3.31Å; N138-K159 WeakPolarHBondContact O-CB 3.13Å; N138-V160 PolarHBondContact O-N 3.34Å
139E93.9Very high94.6Very high17 Ų1745.1 Ų45.18%0.07922%0.224CC..BIsolated β-bridgetrans-86.9128.7-172.9-63.4-62.8142.800111.8L82 S86 A136 Q137 C141 L142 H143L82-E139 HydrophobicContact CD2-CB 4.01Å; L82-E139 HydrophobicContact CD2-CG 3.96Å; S86-E139 VanDerWaalsContact OG-CG 3.26Å; S86-E139 WeakPolarHBondContact OG-CG 3.34Å; A136-E139 WeakPolarHBondContact O-CB 3.23Å; A136-E139 PolarHBondContact O-N 3.32Å; Q137-E139 VanDerWaalsContact C-N 3.32Å; E139-C141 PolarHBondContact O-N 3.02Å; E139-L142 PolarHBondContact O-N 2.9Å; E139-L142 VanDerWaalsContact O-N 3.13Å; E139-H143 PolarHBondContact O-CD2 3.12Å
140R94.4Very high94.6Very high99 Ų9942.7 Ų42.737%0.37423%0.227SC..Hα-helixtrans-58.4-32.6-178.6-177.5177.8177-162.71.9113.3L142 H143 M144 Y155 I156 G158 V160R140-L142 PolarHBondContact O-N 3.46Å; R140-H143 PolarHBondContact O-N 2.93Å; R140-M144 PolarHBondContact O-N 2.84Å; R140-Y155 HydrophobicContact CG-CD2 4.42Å; R140-I156 PolarHBondContact NH1-O 3.46Å; R140-I156 VanDerWaalsContact NH1-O 3.17Å; R140-G158 WeakPolarHBondContact CB-O 3.09Å; R140-G158 PolarHBondContact N-O 2.86Å; R140-V160 HydrophobicContact CB-CG2 4.18Å
141C95Very high94.6Very high3 Ų344 Ų442%0.0223%0.233CC..Hα-helixtrans-60.2-34.1179.861.30000112.8W77 L78 E81 E139 F145 Y155W77-C141 HydrophobicContact CH2-CB 3.78Å; W77-C141 HydrophobicContact CZ2-CB 4.48Å; W77-C141 HydrophobicContact CZ3-CB 4.43Å; L78-C141 HydrophobicContact CD1-CB 4.21Å; E81-C141 HydrophobicContact CB-CB 4.1Å; E139-C141 PolarHBondContact O-N 3.02Å; C141-F145 VanDerWaalsContact O-CB 3.29Å; C141-F145 WeakPolarHBondContact O-CB 3.31Å; C141-F145 PolarHBondContact O-N 2.9Å; C141-Y155 HydrophobicContact CB-CE2 4.23Å; C141-Y155 WeakPolarHBondContact CB-OH 3.48Å
142L96.1Very high94.5Very high0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-68.5-42.7177.4-178.964.1000111.5F61 L78 I127 I130 A131 A136 E139 R140 F145 L146F61-L142 HydrophobicContact CE1-CD2 4.44Å; F61-L142 HydrophobicContact CZ-CD2 4.3Å; L78-L142 HydrophobicContact CD2-CD1 4.23Å; I127-L142 HydrophobicContact CD1-CD1 4.08Å; I130-L142 HydrophobicContact CG2-CD1 3.95Å; A131-L142 HydrophobicContact CB-CD1 4.39Å; A131-L142 HydrophobicContact CB-CD2 4.29Å; A136-L142 HydrophobicContact CB-CD2 4.37Å; A136-L142 WeakPolarHBondContact O-CD2 3.4Å; E139-L142 PolarHBondContact O-N 2.9Å; E139-L142 VanDerWaalsContact O-N 3.13Å; R140-L142 PolarHBondContact O-N 3.46Å; L142-F145 PolarHBondContact O-N 3.21Å; L142-L146 HydrophobicContact CD1-CD1 3.74Å; L142-L146 HydrophobicContact CD1-CG 4.14Å; L142-L146 HydrophobicContact CG-CD1 3.96Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.03Å
143H96.3Very high94.4Very high13 Ų1352.3 Ų52.36%0.0626%0.256CS..Hα-helixtrans-65.3-45.2178-66.1-90.7000111.3I60 F61 Q137 E139 R140 F145 L146 Q147 V160I60-H143 PolarHBondContact O-CE1 2.7Å; F61-H143 AromaticContact CD1-CE1 3.51Å; F61-H143 AromaticContact CD1-ND1 3.48Å; F61-H143 WeakPolarHBondContact CD1-ND1 3.26Å; F61-H143 AromaticContact CE1-CE1 3.76Å; F61-H143 AromaticContact CE1-ND1 3.9Å; Q137-H143 PolarHBondContact O-NE2 2.64Å; E139-H143 PolarHBondContact O-CD2 3.12Å; R140-H143 PolarHBondContact O-N 2.93Å; H143-F145 VanDerWaalsContact C-N 3.28Å; H143-F145 PolarHBondContact O-N 3.14Å; H143-L146 PolarHBondContact O-N 3.37Å; H143-Q147 WeakPolarHBondContact O-CB 3.3Å; H143-Q147 PolarHBondContact O-N 2.71Å; H143-V160 WeakPolarHBondContact CD2-CG2 3.48Å
144M96.4Very high94.3Very high1 Ų156.1 Ų56.11%0.00528%0.279CS..Hα-helixtrans-60.1-40.4174.4-178168.159.200111.4R70 W77 R140 E148 I151 D152 Y155R70-M144 PolarHBondContact NH2-O 2.84Å; W77-M144 HydrophobicContact CH2-CE 3.24Å; W77-M144 HydrophobicContact CZ2-CE 3.48Å; W77-M144 VanDerWaalsContact CZ2-CE 3.48Å; W77-M144 HydrophobicContact CZ3-CE 4.32Å; R140-M144 PolarHBondContact O-N 2.84Å; M144-E148 HydrophobicContact CG-CB 4.35Å; M144-E148 HydrophobicContact CG-CG 4.41Å; M144-E148 WeakPolarHBondContact CG-OE2 3.3Å; M144-E148 PolarHBondContact O-N 3.34Å; M144-I151 HydrophobicContact CE-CG2 3.94Å; M144-I151 HydrophobicContact SD-CG2 4.37Å; M144-D152 WeakPolarHBondContact CE-O 3.36Å; M144-D152 HydrophobicContact SD-CB 3.94Å; M144-D152 PolarHBondContact SD-N 3.47Å; M144-Y155 HydrophobicContact CE-CD1 3.61Å; M144-Y155 HydrophobicContact CE-CD2 3.87Å; M144-Y155 HydrophobicContact CE-CE1 4.06Å; M144-Y155 HydrophobicContact CE-CE2 4.25Å; M144-Y155 HydrophobicContact CE-CG 3.53Å; M144-Y155 HydrophobicContact SD-CG 4.32Å
145F97.4Very high94.2Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-64-42.5177.2-176.8-90.9000112.9V52 V68 R70 D74 F75 W77 L78 I127 C141 L142 H143 I151V52-F145 HydrophobicContact CG1-CE1 4.48Å; V68-F145 WeakPolarHBondContact CG2-O 3.48Å; R70-F145 HydrophobicContact CB-CE2 4.37Å; R70-F145 HydrophobicContact CB-CZ 4.16Å; R70-F145 HydrophobicContact CG-CE1 4.32Å; R70-F145 HydrophobicContact CG-CE2 3.92Å; R70-F145 HydrophobicContact CG-CZ 3.76Å; R70-F145 VanDerWaalsContact CZ-O 3.29Å; R70-F145 PolarHBondContact NE-O 2.96Å; R70-F145 PolarHBondContact NH2-O 2.87Å; D74-F145 HydrophobicContact CB-CE2 4.03Å; F75-F145 HydrophobicContact CD1-CE1 4.32Å; F75-F145 HydrophobicContact CD1-CE2 4.43Å; F75-F145 AromaticContact CD1-CZ 3.65Å; F75-F145 HydrophobicContact CD1-CZ 3.65Å; F75-F145 HydrophobicContact CD2-CE2 4.29Å; F75-F145 AromaticContact CD2-CZ 3.88Å; F75-F145 HydrophobicContact CD2-CZ 3.88Å; F75-F145 HydrophobicContact CE1-CE1 4.03Å; F75-F145 AromaticContact CE1-CZ 3.61Å; F75-F145 HydrophobicContact CE1-CZ 3.61Å; F75-F145 AromaticContact CE2-CZ 3.82Å; F75-F145 HydrophobicContact CE2-CZ 3.82Å; F75-F145 HydrophobicContact CG-CE2 4.22Å; F75-F145 AromaticContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CZ-CE1 4.28Å; F75-F145 AromaticContact CZ-CZ 3.69Å; F75-F145 HydrophobicContact CZ-CZ 3.69Å; W77-F145 HydrophobicContact CZ3-CB 4.43Å; L78-F145 HydrophobicContact CB-CD2 4.06Å; L78-F145 HydrophobicContact CB-CE2 4.46Å; L78-F145 HydrophobicContact CB-CG 4.46Å; L78-F145 HydrophobicContact CD1-CB 4.15Å; L78-F145 HydrophobicContact CD2-CB 4.21Å; L78-F145 HydrophobicContact CD2-CD1 3.86Å; L78-F145 HydrophobicContact CD2-CD2 4.13Å; L78-F145 HydrophobicContact CD2-CE1 4.26Å; L78-F145 HydrophobicContact CD2-CG 3.79Å; L78-F145 HydrophobicContact CG-CG 4.48Å; I127-F145 HydrophobicContact CD1-CD1 3.89Å; I127-F145 HydrophobicContact CD1-CE1 3.74Å; I127-F145 HydrophobicContact CG1-CE1 4.19Å; C141-F145 VanDerWaalsContact O-CB 3.29Å; C141-F145 WeakPolarHBondContact O-CB 3.31Å; C141-F145 PolarHBondContact O-N 2.9Å; L142-F145 PolarHBondContact O-N 3.21Å; H143-F145 VanDerWaalsContact C-N 3.28Å; H143-F145 PolarHBondContact O-N 3.14Å; F145-I151 HydrophobicContact CD2-CD1 3.85Å; F145-I151 HydrophobicContact CE2-CD1 4.42Å
146L97.5Very high94.1Very high1 Ų155.2 Ų55.21%0.00527%0.267CS..Hα-helixtrans-91-26.7-172.6-68175.7000115I32 V52 F61 S66 I127 A131 L142 H143I32-L146 HydrophobicContact CD1-CD1 3.85Å; I32-L146 HydrophobicContact CD1-CD2 3.97Å; I32-L146 HydrophobicContact CG2-CD2 4.34Å; V52-L146 HydrophobicContact CG1-CD2 3.94Å; F61-L146 HydrophobicContact CE1-CD1 4.06Å; F61-L146 HydrophobicContact CZ-CD1 4.45Å; S66-L146 PolarHBondContact OG-O 2.91Å; I127-L146 HydrophobicContact CD1-CD2 4.11Å; I127-L146 HydrophobicContact CG1-CD2 3.91Å; A131-L146 HydrophobicContact CB-CD1 4.28Å; L142-L146 HydrophobicContact CD1-CD1 3.74Å; L142-L146 HydrophobicContact CD1-CG 4.14Å; L142-L146 HydrophobicContact CG-CD1 3.96Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.03Å; H143-L146 PolarHBondContact O-N 3.37Å
147Q96.2Very high93.9Very high28 Ų2858.1 Ų58.113%0.13129%0.286CS..Hα-helixtrans-117.1-27.9-168.3-63.2-176-10.600114.6M54 L63 H143M54-Q147 HydrophobicContact CE-CG 3.81Å; L63-Q147 HydrophobicContact CB-CG 4.31Å; L63-Q147 HydrophobicContact CD1-CB 4.03Å; L63-Q147 HydrophobicContact CD1-CG 4.35Å; L63-Q147 HydrophobicContact CG-CB 4.48Å; L63-Q147 HydrophobicContact CG-CG 4.43Å; L63-Q147 VanDerWaalsContact N-NE2 3.2Å; L63-Q147 PolarHBondContact O-NE2 2.62Å; H143-Q147 WeakPolarHBondContact O-CB 3.3Å; H143-Q147 PolarHBondContact O-N 2.71Å
148E96.1Very high93.4Very high84 Ų8458.2 Ų58.239%0.39330%0.295SS..  trans-88.7145.6-178.5-62.7-176.5-160.700110.5V68 R70 M144 T150V68-E148 WeakPolarHBondContact CG1-O 3.23Å; R70-E148 PolarHBondContact NH2-O 3.47Å; M144-E148 HydrophobicContact CG-CB 4.35Å; M144-E148 HydrophobicContact CG-CG 4.41Å; M144-E148 WeakPolarHBondContact CG-OE2 3.3Å; M144-E148 PolarHBondContact O-N 3.34Å; E148-T150 VanDerWaalsContact C-N 3.33Å; E148-T150 PolarHBondContact O-N 3.4Å
149E94.4Very high92.9Very high170 Ų17062.6 Ų62.679%0.79431%0.311SS*.SBendtrans-65.9-39.9179.8-172.6175.1-177.800111.4R70R70-E149 PolarHBondContact NH1-O 2.74Å
150T94.1Very high92.2Very high103 Ų10367.7 Ų67.763%0.63234%0.343SS*.SBendtrans-121141.6-178.357.40000111.5E148E148-T150 VanDerWaalsContact C-N 3.33Å; E148-T150 PolarHBondContact O-N 3.4Å
151I94.6Very high92.1Very high29 Ų2966.1 Ų66.115%0.14934%0.341CS..  trans-86.5117.4175.1-63.1171.7000109.4D74 W77 M144 F145 R153D74-I151 HydrophobicContact CB-CD1 3.72Å; W77-I151 HydrophobicContact CD2-CG2 3.95Å; W77-I151 HydrophobicContact CE3-CD1 3.97Å; W77-I151 HydrophobicContact CE3-CG2 3.83Å; W77-I151 HydrophobicContact CH2-CG2 3.71Å; W77-I151 HydrophobicContact CZ2-CG2 3.73Å; W77-I151 HydrophobicContact CZ3-CD1 4.14Å; W77-I151 HydrophobicContact CZ3-CG2 3.72Å; M144-I151 HydrophobicContact CE-CG2 3.94Å; M144-I151 HydrophobicContact SD-CG2 4.37Å; F145-I151 HydrophobicContact CD2-CD1 3.85Å; F145-I151 HydrophobicContact CE2-CD1 4.42Å; I151-R153 PolarHBondContact O-N 3.31Å
152D93.1Very high91.9Very high78 Ų7869.4 Ų69.442%0.41736%0.358SS..  trans-77108.6168.7-178.610.2000110.4M144 N154 Y155M144-D152 WeakPolarHBondContact CE-O 3.36Å; M144-D152 HydrophobicContact SD-CB 3.94Å; M144-D152 PolarHBondContact SD-N 3.47Å; D152-N154 PolarHBondContact O-N 3.15Å; D152-N154 PolarHBondContact OD1-N 3.35Å; D152-Y155 WeakPolarHBondContact O-CB 3.07Å; D152-Y155 VanDerWaalsContact O-CD1 3.29Å; D152-Y155 WeakPolarHBondContact O-CD1 3.49Å; D152-Y155 PolarHBondContact O-N 2.99Å
153R91.3Very high91.7Very high144 Ų14473.3 Ų73.354%0.54338%0.378SS..THydrogen-bonded Turntrans-74.2-13.4179.6-64-175.3177.2-165.1-8.1113.7I151I151-R153 PolarHBondContact O-N 3.31Å
154N90.5Very high91.4Very high148 Ų14876.8 Ų76.879%0.79140%0.397SS*.THydrogen-bonded Turntrans-103.614.3176.8-60.9-38.1000111.8D152D152-N154 PolarHBondContact O-N 3.15Å; D152-N154 PolarHBondContact OD1-N 3.35Å
155Y90.3Very high91.1Very high18 Ų1881.6 Ų81.67%0.07142%0.421CS..PPolyproline II helixtrans-58151.4176.785.8-63.9000110.9W77 E81 R140 C141 M144 D152 P157W77-Y155 HydrophobicContact CH2-CE1 4.38Å; W77-Y155 HydrophobicContact CZ2-CD1 4.07Å; W77-Y155 AromaticContact CZ2-CE1 3.57Å; W77-Y155 HydrophobicContact CZ2-CE1 3.57Å; E81-Y155 WeakPolarHBondContact OE2-CE1 3.5Å; E81-Y155 VanDerWaalsContact OE2-CZ 3.27Å; E81-Y155 PolarHBondContact OE2-OH 3.17Å; R140-Y155 HydrophobicContact CG-CD2 4.42Å; C141-Y155 HydrophobicContact CB-CE2 4.23Å; C141-Y155 WeakPolarHBondContact CB-OH 3.48Å; M144-Y155 HydrophobicContact CE-CD1 3.61Å; M144-Y155 HydrophobicContact CE-CD2 3.87Å; M144-Y155 HydrophobicContact CE-CE1 4.06Å; M144-Y155 HydrophobicContact CE-CE2 4.25Å; M144-Y155 HydrophobicContact CE-CG 3.53Å; M144-Y155 HydrophobicContact SD-CG 4.32Å; D152-Y155 WeakPolarHBondContact O-CB 3.07Å; D152-Y155 VanDerWaalsContact O-CD1 3.29Å; D152-Y155 WeakPolarHBondContact O-CD1 3.49Å; D152-Y155 PolarHBondContact O-N 2.99Å; Y155-P157 HydrophobicContact CE2-CB 4.41Å; Y155-P157 VanDerWaalsContact O-CD 3.31Å; Y155-P157 WeakPolarHBondContact O-CD 3.29Å
156I88.8Confident90.7Very high133 Ų13387 Ų8768%0.68245%0.449SS*.PPolyproline II helixtrans-82.8117.7173.5-59.4170.3000107.4R140R140-I156 PolarHBondContact NH1-O 3.46Å; R140-I156 VanDerWaalsContact NH1-O 3.17Å
157P88.2Confident90.2Very high61 Ų6193.1 Ų93.140%0.39648%0.481SS..PPolyproline II helixtrans-59.6145.8175.7-22.534.4000111.4D85 Y155D85-P157 VanDerWaalsContact OD2-CB 3.31Å; D85-P157 WeakPolarHBondContact OD2-CB 3.3Å; Y155-P157 HydrophobicContact CE2-CB 4.41Å; Y155-P157 VanDerWaalsContact O-CD 3.31Å; Y155-P157 WeakPolarHBondContact O-CD 3.29Å
158G84.2Confident89.7Confident31 Ų3198.2 Ų98.232%0.3251%0.508SS..  trans171.6173-176.700000112.4R140R140-G158 WeakPolarHBondContact CB-O 3.09Å; R140-G158 PolarHBondContact N-O 2.86Å
159K82.6Confident89.2Confident153 Ų15399.3 Ų99.367%0.66552%0.518SS*.BIsolated β-bridgetrans-94.3150.5176.5-63.1-179.8-1791790111N138N138-K159 CarbonylContact O-C 3.48Å; N138-K159 WeakPolarHBondContact O-CA 3.31Å; N138-K159 WeakPolarHBondContact O-CB 3.13Å
160V78.6Confident88.7Confident124 Ų12492.9 Ų92.975%0.75249%0.493SS*.  trans-80.70174.2-175.60000110.8N138 R140 H143N138-V160 PolarHBondContact O-N 3.34Å; R140-V160 HydrophobicContact CB-CG2 4.18Å; H143-V160 WeakPolarHBondContact CD2-CG2 3.48Å

Retrieved 160 of 160 residues in 94.5 ms (Link to these results)

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