A0A087XEQ8_POEFO Loading...

Protein Abitram

AlphaFold DB , UniProt , Accession A0A087XEQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 180 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
1M45.4Very low47.9Very low230 Ų230145.8 Ų145.8100%1.13384%0.84SS**  080.80-93.2162.6176.400105.2C3M1-C3 PolarHBondContact O-N 2.8Å
2D38.3Very low49.3Very low153 Ų153148.6 Ų148.682%0.81884%0.84SS**  trans-78115.1-167.8-57.3-94.3000107.4V4D2-V4 PolarHBondContact O-N 3.14Å
3C41.7Very low50.7Low127 Ų127143.7 Ų143.786%0.85883%0.829SS**  trans-64.7112.7173-69.10000107.7M1 E5M1-C3 PolarHBondContact O-N 2.8Å; C3-E5 PolarHBondContact O-N 3.13Å; C3-E5 VanDerWaalsContact O-N 3.11Å
4V48.9Very low52Low118 Ų118140 Ų14072%0.71581%0.812SS**  trans-69.7105.6172.8178.70000107.6D2 Q6D2-V4 PolarHBondContact O-N 3.14Å; V4-Q6 PolarHBondContact O-N 3.2Å
5E49.9Very low53.6Low189 Ų189134 Ų13488%0.88378%0.782SS**  trans-58.8114.1158.6-87.7176.577.400108.1C3C3-E5 PolarHBondContact O-N 3.13Å; C3-E5 VanDerWaalsContact O-N 3.11Å
6Q48.4Very low54.9Low182 Ų182132.4 Ų132.485%0.8577%0.774SS**  trans-95.8106.1171.1-131.8133.931.900107.9V4V4-Q6 PolarHBondContact O-N 3.2Å
7S46.8Very low56.3Low112 Ų112125.9 Ų125.978%0.78374%0.735SS**  trans-75.5143.9-179.5440000112.6
8N51.9Low57.4Low151 Ų151123.6 Ų123.681%0.80772%0.719SS**  trans-4.1133.1168.6-82.5-31.2000120
9A46.7Very low58.7Low94 Ų94126.2 Ų126.278%0.77772%0.716SS**  trans-136.1111.4133.500000108A11A9-A11 VanDerWaalsContact C-N 3.33Å; A9-A11 PolarHBondContact O-N 2.98Å
10D50.1Low60Low150 Ų150124.8 Ų124.880%0.80270%0.699SS**  trans-50.795.5166.2-81.9-79000109.4E12D10-E12 PolarHBondContact O-N 3.25Å
11A59.2Low61.4Low98 Ų98121.4 Ų121.481%0.8168%0.677SS**  trans-74.378.9166.300000106.8A9 A13A9-A11 VanDerWaalsContact C-N 3.33Å; A9-A11 PolarHBondContact O-N 2.98Å; A11-A13 PolarHBondContact O-N 2.79Å
12E64.4Low63.6Low179 Ų179114.1 Ų114.184%0.83665%0.645SS**PPolyproline II helixtrans-47.9124174.9-156.5175.4-178.600108.1D10D10-E12 PolarHBondContact O-N 3.25Å
13A67.4Low66.1Low85 Ų85109.9 Ų109.970%0.70262%0.618SS**PPolyproline II helixtrans-56.2130.3-174.600000108.9A11 S15A11-A13 PolarHBondContact O-N 2.79Å; A13-S15 PolarHBondContact O-N 2.95Å
14P69.3Low68.6Low92 Ų92106 Ų10660%0.59759%0.585SS**PPolyproline II helixtrans-57.6135.3-175.221.9-32.3000109.7D18P14-D18 HydrophobicContact CB-CB 4.34Å
15S75.1Confident70.7Confident50 Ų50100.9 Ų100.935%0.3555%0.553SS.*PPolyproline II helixtrans-58.9158.9-179.678.90000110.7A13 I17 D18 R19A13-S15 PolarHBondContact O-N 2.95Å; S15-I17 PolarHBondContact O-N 3.11Å; S15-I17 PolarHBondContact OG-N 2.88Å; S15-D18 WeakPolarHBondContact CB-OD2 3.41Å; S15-D18 PolarHBondContact O-N 2.86Å; S15-D18 VanDerWaalsContact OG-CG 3.23Å; S15-D18 PolarHBondContact OG-N 2.74Å; S15-D18 PolarHBondContact OG-OD2 2.7Å; S15-R19 PolarHBondContact O-N 2.83Å
16V75Confident72.6Confident108 Ų10894.3 Ų94.366%0.65552%0.52SS*.Hα-helixtrans-54.9-29.3176.3-660000112.4Y20V16-Y20 WeakPolarHBondContact O-CD2 3.44Å; V16-Y20 PolarHBondContact O-N 2.67Å
17I78.5Confident74.4Confident22 Ų2286.4 Ų86.411%0.11349%0.486CS..Hα-helixtrans-70.5-53.6175.9-59.9166.6000109.2S15 R19 Y20 F21 T140S15-I17 PolarHBondContact O-N 3.11Å; S15-I17 PolarHBondContact OG-N 2.88Å; I17-R19 PolarHBondContact O-N 2.9Å; I17-Y20 PolarHBondContact O-N 3Å; I17-F21 HydrophobicContact CG2-CB 4.06Å; I17-F21 HydrophobicContact CG2-CD2 4.44Å; I17-F21 WeakPolarHBondContact O-CA 3.48Å; I17-F21 VanDerWaalsContact O-CB 3.32Å; I17-F21 WeakPolarHBondContact O-CB 3.06Å; I17-F21 PolarHBondContact O-N 2.83Å; I17-T140 HydrophobicContact CD1-CG2 3.79Å
18D77.2Confident75.9Confident85 Ų8584 Ų8446%0.45546%0.464SS..Hα-helixtrans-65.8-26-175.2-54.7-48.6000112.4P14 S15 R23P14-D18 HydrophobicContact CB-CB 4.34Å; S15-D18 WeakPolarHBondContact CB-OD2 3.41Å; S15-D18 PolarHBondContact O-N 2.86Å; S15-D18 VanDerWaalsContact OG-CG 3.23Å; S15-D18 PolarHBondContact OG-N 2.74Å; S15-D18 PolarHBondContact OG-OD2 2.7Å; D18-R23 IonicContact OD1-CZ 3.31Å; D18-R23 IonicContact OD1-NH1 3.62Å; D18-R23 PolarHBondContact OD1-NH1 2.82Å; D18-R23 IonicContact OD1-NH2 3.6Å; D18-R23 PolarHBondContact OD1-NH2 2.79Å
19R81.8Confident77Confident173 Ų17376.8 Ų76.865%0.65343%0.426SS*.Hα-helixtrans-74-38.4175.9-174.9174.5-179.7-174.61.5113.5S15 I17S15-R19 PolarHBondContact O-N 2.83Å; I17-R19 PolarHBondContact O-N 2.9Å
20Y84.8Confident78Confident97 Ų9778.5 Ų78.538%0.3842%0.416SS..Hα-helixtrans-116.9-14.2-166.7-69.1-69.4000114.6V16 I17 H42 S43V16-Y20 WeakPolarHBondContact O-CD2 3.44Å; V16-Y20 PolarHBondContact O-N 2.67Å; I17-Y20 PolarHBondContact O-N 3Å; Y20-H42 CarbonylContact O-C 3.57Å; Y20-H42 VanDerWaalsContact O-CA 3.27Å; Y20-H42 WeakPolarHBondContact O-CA 3.47Å; Y20-H42 PolarHBondContact O-CD2 2.95Å; Y20-S43 PolarHBondContact O-N 3.26Å
21F88.5Confident78.8Confident55 Ų5574.8 Ų74.824%0.24141%0.413CS..EExtended strand (participates in β ladder)trans-122.4133.9-176.5-64.2-97.9000111.9I17 L40 Q41 H42 V48I17-F21 HydrophobicContact CG2-CB 4.06Å; I17-F21 HydrophobicContact CG2-CD2 4.44Å; I17-F21 WeakPolarHBondContact O-CA 3.48Å; I17-F21 VanDerWaalsContact O-CB 3.32Å; I17-F21 WeakPolarHBondContact O-CB 3.06Å; I17-F21 PolarHBondContact O-N 2.83Å; F21-L40 HydrophobicContact CB-CB 4.24Å; F21-L40 HydrophobicContact CD1-CB 3.7Å; F21-L40 HydrophobicContact CE1-CB 4.44Å; F21-L40 HydrophobicContact CG-CB 4.29Å; F21-Q41 CarbonylContact C-O 3.58Å; F21-Q41 VanDerWaalsContact CA-O 3.28Å; F21-Q41 WeakPolarHBondContact CA-O 3.48Å; F21-H42 HydrophobicContact CD1-CB 3.78Å; F21-H42 AromaticContact CD2-CD2 3.97Å; F21-H42 HydrophobicContact CE1-CB 3.59Å; F21-H42 AromaticContact CE1-CD2 3.84Å; F21-H42 AromaticContact CE2-CD2 3.59Å; F21-H42 HydrophobicContact CZ-CB 4.18Å; F21-H42 AromaticContact CZ-CD2 3.52Å; F21-V48 HydrophobicContact CE1-CG2 4.02Å
22T90.8Very high79.4Confident76 Ų7674 Ų7447%0.46639%0.391SS..EExtended strand (participates in β ladder)trans-94.5126.6167.2-52.20000108.9W24 Q41T22-W24 HydrophobicContact CG2-CZ2 4.1Å; T22-Q41 PolarHBondContact N-O 3.06Å; T22-Q41 PolarHBondContact O-N 3.39Å
23R92.3Very high79.6Confident64 Ų6469.7 Ų69.724%0.24238%0.381CS..EExtended strand (participates in β ladder)trans-83.5129.6176.8-59.9-160.9176.683.6-1.4110.6D18 Y25 L40D18-R23 IonicContact OD1-CZ 3.31Å; D18-R23 IonicContact OD1-NH1 3.62Å; D18-R23 PolarHBondContact OD1-NH1 2.82Å; D18-R23 IonicContact OD1-NH2 3.6Å; D18-R23 PolarHBondContact OD1-NH2 2.79Å; R23-Y25 HydrophobicContact CB-CE2 4.11Å; R23-L40 HydrophobicContact CB-CD2 4.31Å; R23-L40 HydrophobicContact CG-CD2 3.59Å
24W93.4Very high80Confident45 Ų4567.1 Ų67.117%0.1736%0.357CS..EExtended strand (participates in β ladder)trans-126.9151173.6-64.5100.5000109.4T22 C38 I39 T158 L161 L162 T163T22-W24 HydrophobicContact CG2-CZ2 4.1Å; W24-C38 CarbonylContact O-C 3.49Å; W24-C38 WeakPolarHBondContact O-CA 3.32Å; W24-I39 HydrophobicContact CB-CB 4.24Å; W24-I39 PolarHBondContact N-O 3.14Å; W24-I39 PolarHBondContact O-N 3.13Å; W24-T158 HydrophobicContact CD2-CG2 4.04Å; W24-T158 HydrophobicContact CG-CG2 4.48Å; W24-T158 HydrophobicContact CH2-CG2 4.34Å; W24-T158 HydrophobicContact CZ2-CG2 3.7Å; W24-L161 HydrophobicContact CB-CB 3.9Å; W24-L161 HydrophobicContact CB-CD1 3.63Å; W24-L161 HydrophobicContact CB-CG 4.35Å; W24-L161 HydrophobicContact CD2-CB 4.34Å; W24-L161 HydrophobicContact CE3-CB 3.96Å; W24-L161 HydrophobicContact CG-CB 4.36Å; W24-L161 HydrophobicContact CG-CD1 4.01Å; W24-L162 CarbonylContact C-O 3.57Å; W24-L162 WeakPolarHBondContact CA-O 3.38Å; W24-T163 HydrophobicContact CE3-CG2 4.41Å; W24-T163 HydrophobicContact CH2-CG2 4.31Å; W24-T163 HydrophobicContact CZ3-CG2 3.72Å
25Y92.8Very high80.6Confident12 Ų1263.3 Ų63.35%0.04733%0.332CS..EExtended strand (participates in β ladder)trans-125.1146.1-177.4-62.3-90.7000110.8R23 H37 C38 A52 L161 L162 R164 F167R23-Y25 HydrophobicContact CB-CE2 4.11Å; Y25-H37 CarbonylContact C-O 3.53Å; Y25-H37 WeakPolarHBondContact CA-O 3.44Å; Y25-C38 HydrophobicContact CD1-CB 4.24Å; Y25-C38 HydrophobicContact CE1-CB 4.16Å; Y25-A52 HydrophobicContact CD1-CB 3.97Å; Y25-A52 HydrophobicContact CE1-CB 4.24Å; Y25-L161 WeakPolarHBondContact O-CA 3.48Å; Y25-L162 PolarHBondContact N-O 2.85Å; Y25-L162 PolarHBondContact O-N 2.84Å; Y25-R164 HydrophobicContact CE2-CB 3.98Å; Y25-R164 HydrophobicContact CE2-CG 4.33Å; Y25-F167 AromaticContact CD1-CD1 3.66Å; Y25-F167 HydrophobicContact CD1-CD1 3.66Å; Y25-F167 HydrophobicContact CD1-CD2 4.34Å; Y25-F167 AromaticContact CD1-CE1 3.77Å; Y25-F167 HydrophobicContact CD1-CE1 3.77Å; Y25-F167 HydrophobicContact CD1-CE2 4.44Å; Y25-F167 AromaticContact CD1-CG 3.95Å; Y25-F167 HydrophobicContact CD1-CG 3.95Å; Y25-F167 HydrophobicContact CD1-CZ 4.14Å; Y25-F167 HydrophobicContact CD2-CB 3.94Å; Y25-F167 HydrophobicContact CD2-CD1 4.26Å; Y25-F167 HydrophobicContact CD2-CG 4.15Å; Y25-F167 HydrophobicContact CE1-CD1 4.04Å; Y25-F167 HydrophobicContact CE1-CE1 4.11Å; Y25-F167 HydrophobicContact CG-CB 3.87Å; Y25-F167 AromaticContact CG-CD1 3.78Å; Y25-F167 HydrophobicContact CG-CD1 3.78Å; Y25-F167 HydrophobicContact CG-CD2 4.08Å; Y25-F167 HydrophobicContact CG-CE1 4.31Å; Y25-F167 AromaticContact CG-CG 3.63Å; Y25-F167 HydrophobicContact CG-CG 3.63Å
26R90.2Very high81.3Confident50 Ų5061 Ų6119%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-124.7111.3169.8-176.567.3174.1-164.6-3.4108.2M29 D36 H37 I39 C115 N160 L161R26-M29 HydrophobicContact CG-SD 4.19Å; R26-D36 WeakPolarHBondContact O-CA 3.46Å; R26-H37 HydrophobicContact CB-CB 4.42Å; R26-H37 PolarHBondContact N-O 2.82Å; R26-H37 PolarHBondContact O-N 3.2Å; R26-I39 HydrophobicContact CB-CD1 4.12Å; R26-C115 HydrophobicContact CB-CB 3.96Å; R26-C115 HydrophobicContact CG-CB 4.08Å; R26-N160 PolarHBondContact NH1-O 2.85Å; R26-L161 HydrophobicContact CB-CD2 3.95Å
27A86.2Confident82.1Confident16 Ų1655.8 Ų55.813%0.13228%0.284CS..  trans-95.1152-177.600000111.3M29 D36 L162 F167 V170A27-M29 PolarHBondContact O-N 3.08Å; A27-D36 WeakPolarHBondContact CA-OD1 3.47Å; A27-D36 WeakPolarHBondContact CB-OD1 3.34Å; A27-L162 HydrophobicContact CB-CD1 3.8Å; A27-F167 HydrophobicContact CB-CD2 4.1Å; A27-F167 HydrophobicContact CB-CE2 3.98Å; A27-V170 HydrophobicContact CB-CG1 4.31Å
28D78.8Confident82.8Confident61 Ų6155 Ų5533%0.32628%0.28SS..SBendtrans52.949.3172.8-59.6-47.7000115K30 G31 K32 S33 D36 R174D28-K30 PolarHBondContact O-N 3.26Å; D28-K30 VanDerWaalsContact O-N 3.15Å; D28-G31 PolarHBondContact O-N 2.85Å; D28-K32 WeakPolarHBondContact CA-O 3.24Å; D28-S33 WeakPolarHBondContact OD1-CA 3.45Å; D28-D36 PolarHBondContact N-OD1 2.97Å; D28-R174 IonicContact OD1-CZ 3.76Å; D28-R174 VanDerWaalsContact OD1-CZ 3.31Å; D28-R174 IonicContact OD1-NE 3.67Å; D28-R174 IonicContact OD1-NH2 3.54Å; D28-R174 PolarHBondContact OD1-NH2 2.8Å; D28-R174 IonicContact OD2-CZ 3.35Å; D28-R174 IonicContact OD2-NE 2.7Å; D28-R174 IonicContact OD2-NH2 2.67Å; D28-R174 PolarHBondContact OD2-NH2 3.04Å
29M74.1Confident83.5Confident1 Ų150.9 Ų50.91%0.00526%0.258CS..G310 helixtrans-62123.2-177.1-165.155.9167.800111.1R26 A27 G31 K32 D95 F96 Y113R26-M29 HydrophobicContact CG-SD 4.19Å; A27-M29 PolarHBondContact O-N 3.08Å; M29-G31 PolarHBondContact O-N 3.12Å; M29-K32 PolarHBondContact O-N 2.91Å; M29-D95 WeakPolarHBondContact CE-O 3.37Å; M29-F96 HydrophobicContact CE-CB 4.25Å; M29-F96 HydrophobicContact CE-CD1 3.18Å; M29-F96 HydrophobicContact CE-CE1 3.63Å; M29-F96 HydrophobicContact CE-CG 3.89Å; M29-F96 HydrophobicContact SD-CD1 3.87Å; M29-F96 HydrophobicContact SD-CE1 3.76Å; M29-Y113 HydrophobicContact CB-CD2 4.24Å; M29-Y113 HydrophobicContact CE-CG 4.05Å; M29-Y113 HydrophobicContact CG-CD2 3.48Å; M29-Y113 VanDerWaalsContact CG-CD2 3.48Å; M29-Y113 HydrophobicContact CG-CE2 4.2Å; M29-Y113 HydrophobicContact CG-CG 3.85Å
30K68.8Low84Confident129 Ų12942.8 Ų42.856%0.56123%0.228SC*.G310 helixtrans55.830.6-172.4-73.6-167.7169.7-178.50114.9D28 K32 F96 Y113D28-K30 PolarHBondContact O-N 3.26Å; D28-K30 VanDerWaalsContact O-N 3.15Å; K30-K32 PolarHBondContact O-N 3.46Å; K30-F96 HydrophobicContact CG-CD1 3.99Å; K30-F96 HydrophobicContact CG-CE1 4.41Å; K30-Y113 HydrophobicContact CD-CE1 4.25Å
31G65.5Low84.4Confident72 Ų7238.9 Ų38.974%0.74221%0.213SC*.G310 helixtrans71.714.9176.800000113.6D28 M29D28-G31 PolarHBondContact O-N 2.85Å; M29-G31 PolarHBondContact O-N 3.12Å
32K72.4Confident84.5Confident82 Ų8238.2 Ų38.236%0.35721%0.211SC..  trans-88.5117.4169.7-70.1-172.1171.2-171.50109.3D28 M29 K30 C34 E35D28-K32 WeakPolarHBondContact CA-O 3.24Å; M29-K32 PolarHBondContact O-N 2.91Å; K30-K32 PolarHBondContact O-N 3.46Å; K32-C34 PolarHBondContact O-N 3.17Å; K32-E35 HydrophobicContact CB-CB 4.36Å; K32-E35 HydrophobicContact CB-CG 4.15Å; K32-E35 HydrophobicContact CD-CG 4.36Å; K32-E35 WeakPolarHBondContact CD-OE1 3.2Å; K32-E35 WeakPolarHBondContact CD-OE2 3.19Å; K32-E35 IonicContact NZ-OE1 2.74Å; K32-E35 PolarHBondContact NZ-OE1 3.43Å; K32-E35 IonicContact NZ-OE2 2.91Å; K32-E35 PolarHBondContact NZ-OE2 3.34Å
33S68.8Low84.2Confident88 Ų8838.6 Ų38.662%0.61522%0.216SC*.THydrogen-bonded Turntrans-60.8134.4-179.742.80000111.4D28 E35D28-S33 WeakPolarHBondContact OD1-CA 3.45Å; S33-E35 PolarHBondContact O-N 3.41Å; S33-E35 VanDerWaalsContact O-N 3.15Å
34C75.3Confident84Confident31 Ų3139.6 Ų39.621%0.20923%0.227CC..THydrogen-bonded Turntrans68.10.4174.4-50.80000116.7K32 D36 P56K32-C34 PolarHBondContact O-N 3.17Å; C34-D36 PolarHBondContact O-N 3.25Å; C34-P56 HydrophobicContact CB-CG 4.09Å; C34-P56 WeakPolarHBondContact O-CD 3.41Å
35E83.2Confident83.7Confident13 Ų1342.3 Ų42.36%0.06124%0.237CC..  trans-74.662.1168.5-68.9-170-170.600110.3K32 S33 H37 Y110K32-E35 HydrophobicContact CB-CB 4.36Å; K32-E35 HydrophobicContact CB-CG 4.15Å; K32-E35 HydrophobicContact CD-CG 4.36Å; K32-E35 WeakPolarHBondContact CD-OE1 3.2Å; K32-E35 WeakPolarHBondContact CD-OE2 3.19Å; K32-E35 IonicContact NZ-OE1 2.74Å; K32-E35 PolarHBondContact NZ-OE1 3.43Å; K32-E35 IonicContact NZ-OE2 2.91Å; K32-E35 PolarHBondContact NZ-OE2 3.34Å; S33-E35 PolarHBondContact O-N 3.41Å; S33-E35 VanDerWaalsContact O-N 3.15Å; E35-H37 PolarHBondContact O-CE1 3.39Å; E35-H37 VanDerWaalsContact O-CE1 3.28Å; E35-H37 PolarHBondContact O-ND1 3.21Å; E35-Y110 HydrophobicContact CG-CD1 4.14Å; E35-Y110 WeakPolarHBondContact OE1-CD1 3.41Å
36D88.8Confident83.6Confident0 Ų043.8 Ų43.80%025%0.245CC..  trans-85.7133.4-173.9-57.2-43.8000111.3R26 A27 D28 C34 A52 T54 H55 F167 R174R26-D36 WeakPolarHBondContact O-CA 3.46Å; A27-D36 WeakPolarHBondContact CA-OD1 3.47Å; A27-D36 WeakPolarHBondContact CB-OD1 3.34Å; D28-D36 PolarHBondContact N-OD1 2.97Å; C34-D36 PolarHBondContact O-N 3.25Å; D36-A52 HydrophobicContact CB-CB 3.74Å; D36-A52 WeakPolarHBondContact O-CB 3.29Å; D36-A52 PolarHBondContact O-N 3.33Å; D36-A52 VanDerWaalsContact O-N 3.11Å; D36-T54 WeakPolarHBondContact CB-OG1 3.46Å; D36-T54 PolarHBondContact OD2-OG1 2.78Å; D36-H55 PolarHBondContact O-CD2 3.15Å; D36-F167 HydrophobicContact CB-CE2 3.76Å; D36-F167 HydrophobicContact CB-CZ 3.7Å; D36-R174 VanDerWaalsContact CG-NH1 3.29Å; D36-R174 IonicContact OD1-CZ 3Å; D36-R174 IonicContact OD1-NH1 2.85Å; D36-R174 PolarHBondContact OD1-NH1 3.35Å; D36-R174 IonicContact OD1-NH2 3.8Å; D36-R174 PolarHBondContact OD1-NH2 3.24Å; D36-R174 IonicContact OD2-CZ 2.84Å; D36-R174 IonicContact OD2-NH1 3.48Å; D36-R174 PolarHBondContact OD2-NH1 3.19Å
37H91.4Very high83.7Confident0 Ų041.5 Ų41.50%024%0.237CC..EExtended strand (participates in β ladder)trans-112.4149.5-177.6-62.860.4000110.2Y25 R26 E35 I112 Y113 C115Y25-H37 CarbonylContact C-O 3.53Å; Y25-H37 WeakPolarHBondContact CA-O 3.44Å; R26-H37 HydrophobicContact CB-CB 4.42Å; R26-H37 PolarHBondContact N-O 2.82Å; R26-H37 PolarHBondContact O-N 3.2Å; E35-H37 PolarHBondContact O-CE1 3.39Å; E35-H37 VanDerWaalsContact O-CE1 3.28Å; E35-H37 PolarHBondContact O-ND1 3.21Å; H37-I112 WeakPolarHBondContact NE2-CG2 3.16Å; H37-Y113 PolarHBondContact CD2-O 2.91Å; H37-Y113 PolarHBondContact NE2-N 3.34Å; H37-C115 VanDerWaalsContact CB-SG 3.52Å; H37-C115 VanDerWaalsContact CG-SG 3.51Å
38C92.8Very high84Confident4 Ų441.7 Ų41.73%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-116134.4175.5179.80000109.6W24 Y25 T50 A52W24-C38 CarbonylContact O-C 3.49Å; W24-C38 WeakPolarHBondContact O-CA 3.32Å; Y25-C38 HydrophobicContact CD1-CB 4.24Å; Y25-C38 HydrophobicContact CE1-CB 4.16Å; C38-T50 HydrophobicContact CB-CG2 3.77Å; C38-T50 PolarHBondContact N-O 2.79Å; C38-T50 CarbonylContact O-C 3.57Å; C38-T50 PolarHBondContact O-N 2.89Å; C38-A52 HydrophobicContact CB-CB 4.33Å
39I93.3Very high84.7Confident0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-122.6114.4-179.4-56.484.6000107.6W24 R26 C47 V48 C115 I116 L161W24-I39 HydrophobicContact CB-CB 4.24Å; W24-I39 PolarHBondContact N-O 3.14Å; W24-I39 PolarHBondContact O-N 3.13Å; R26-I39 HydrophobicContact CB-CD1 4.12Å; I39-C47 HydrophobicContact CG2-CB 3.94Å; I39-V48 CarbonylContact C-O 3.58Å; I39-V48 WeakPolarHBondContact CA-O 3.45Å; I39-C115 HydrophobicContact CD1-CB 3.91Å; I39-C115 HydrophobicContact CG1-CB 4.28Å; I39-I116 HydrophobicContact CG1-CG2 4.41Å; I39-I116 HydrophobicContact CG2-CD1 4.25Å; I39-I116 HydrophobicContact CG2-CG2 4.33Å; I39-L161 HydrophobicContact CB-CD1 4.37Å; I39-L161 HydrophobicContact CD1-CD1 4.42Å; I39-L161 HydrophobicContact CD1-CD2 3.89Å; I39-L161 HydrophobicContact CG1-CD1 4.47Å
40L92.3Very high85.6Confident3 Ų338.8 Ų38.82%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-92.7108175-51.9177.8000108.6F21 R23 C47 V48F21-L40 HydrophobicContact CB-CB 4.24Å; F21-L40 HydrophobicContact CD1-CB 3.7Å; F21-L40 HydrophobicContact CE1-CB 4.44Å; F21-L40 HydrophobicContact CG-CB 4.29Å; R23-L40 HydrophobicContact CB-CD2 4.31Å; R23-L40 HydrophobicContact CG-CD2 3.59Å; L40-C47 CarbonylContact O-C 3.53Å; L40-C47 WeakPolarHBondContact O-CA 3.46Å; L40-V48 HydrophobicContact CB-CB 4.21Å; L40-V48 PolarHBondContact N-O 3.05Å; L40-V48 PolarHBondContact O-N 2.83Å
41Q91.9Very high86.7Confident14 Ų1432.9 Ų32.97%0.06520%0.195CC..EExtended strand (participates in β ladder)trans-91.5112.1177-176.3179.541.500110.3F21 T22 L46F21-Q41 CarbonylContact C-O 3.58Å; F21-Q41 VanDerWaalsContact CA-O 3.28Å; F21-Q41 WeakPolarHBondContact CA-O 3.48Å; T22-Q41 PolarHBondContact N-O 3.06Å; T22-Q41 PolarHBondContact O-N 3.39Å; Q41-L46 CarbonylContact C-O 3.55Å; Q41-L46 WeakPolarHBondContact CA-O 3.18Å
42H91.1Very high87.8Confident41 Ų4129.5 Ų29.519%0.1916%0.16CC..EExtended strand (participates in β ladder)trans-72.3155.2174.4-169.9-100.5000111.7Y20 F21 N44 R45 L46Y20-H42 CarbonylContact O-C 3.57Å; Y20-H42 VanDerWaalsContact O-CA 3.27Å; Y20-H42 WeakPolarHBondContact O-CA 3.47Å; Y20-H42 PolarHBondContact O-CD2 2.95Å; F21-H42 HydrophobicContact CD1-CB 3.78Å; F21-H42 AromaticContact CD2-CD2 3.97Å; F21-H42 HydrophobicContact CE1-CB 3.59Å; F21-H42 AromaticContact CE1-CD2 3.84Å; F21-H42 AromaticContact CE2-CD2 3.59Å; F21-H42 HydrophobicContact CZ-CB 4.18Å; F21-H42 AromaticContact CZ-CD2 3.52Å; H42-N44 WeakPolarHBondContact CB-OD1 3.36Å; H42-N44 PolarHBondContact ND1-N 3.38Å; H42-N44 VanDerWaalsContact ND1-N 3.17Å; H42-N44 PolarHBondContact ND1-ND2 3.18Å; H42-N44 PolarHBondContact ND1-OD1 2.91Å; H42-N44 PolarHBondContact O-N 3.41Å; H42-N44 VanDerWaalsContact O-N 3.08Å; H42-R45 WeakPolarHBondContact O-CA 3.42Å; H42-R45 PolarHBondContact O-N 3.26Å; H42-L46 HydrophobicContact CB-CB 4.27Å; H42-L46 PolarHBondContact N-O 3.33Å
43S85.3Confident88.5Confident84 Ų8431.6 Ų31.659%0.58717%0.171SC*.THydrogen-bonded Turntrans-52.4-29.217559.70000114.7Y20 R45Y20-S43 PolarHBondContact O-N 3.26Å; S43-R45 PolarHBondContact O-N 2.86Å
44N87.3Confident89.3Confident86 Ų8628.9 Ų28.946%0.4615%0.151SC..THydrogen-bonded Turntrans-84.312.6174.772.81.1000114.2H42 L46H42-N44 WeakPolarHBondContact CB-OD1 3.36Å; H42-N44 PolarHBondContact ND1-N 3.38Å; H42-N44 VanDerWaalsContact ND1-N 3.17Å; H42-N44 PolarHBondContact ND1-ND2 3.18Å; H42-N44 PolarHBondContact ND1-OD1 2.91Å; H42-N44 PolarHBondContact O-N 3.41Å; H42-N44 VanDerWaalsContact O-N 3.08Å; N44-L46 WeakPolarHBondContact ND2-CD1 3.22Å; N44-L46 PolarHBondContact O-N 2.8Å; N44-L46 VanDerWaalsContact OD1-CB 3.26Å; N44-L46 WeakPolarHBondContact OD1-CB 3.13Å; N44-L46 VanDerWaalsContact OD1-CG 3.25Å; N44-L46 WeakPolarHBondContact OD1-CG 3.39Å; N44-L46 PolarHBondContact OD1-N 2.93Å
45R87Confident89.9Confident102 Ų10227.4 Ų27.439%0.38514%0.141SC..SBendtrans69.55.9-178.2-48.9-63.6-177.6174.4-3.7115.8H42 S43 P149H42-R45 WeakPolarHBondContact O-CA 3.42Å; H42-R45 PolarHBondContact O-N 3.26Å; S43-R45 PolarHBondContact O-N 2.86Å; R45-P149 VanDerWaalsContact O-CD 3.24Å; R45-P149 WeakPolarHBondContact O-CD 3.4Å
46L90.9Very high89.9Confident43 Ų4327.8 Ų27.823%0.22515%0.145CC..  trans-65.9140.6166.9-70.1172.3000109.8Q41 H42 N44 L121 V146 L148Q41-L46 CarbonylContact C-O 3.55Å; Q41-L46 WeakPolarHBondContact CA-O 3.18Å; H42-L46 HydrophobicContact CB-CB 4.27Å; H42-L46 PolarHBondContact N-O 3.33Å; N44-L46 WeakPolarHBondContact ND2-CD1 3.22Å; N44-L46 PolarHBondContact O-N 2.8Å; N44-L46 VanDerWaalsContact OD1-CB 3.26Å; N44-L46 WeakPolarHBondContact OD1-CB 3.13Å; N44-L46 VanDerWaalsContact OD1-CG 3.25Å; N44-L46 WeakPolarHBondContact OD1-CG 3.39Å; N44-L46 PolarHBondContact OD1-N 2.93Å; L46-L121 HydrophobicContact CD2-CD1 3.36Å; L46-V146 HydrophobicContact CD2-CG1 4.33Å; L46-L148 HydrophobicContact CD2-CB 4.28Å; L46-L148 HydrophobicContact CD2-CD1 3.56Å; L46-L148 HydrophobicContact CG-CD1 4.36Å
47C92.3Very high89.7Confident1 Ų127.8 Ų27.81%0.00715%0.145CC..EExtended strand (participates in β ladder)trans-118124.7176.7-67.60000109.2I39 L40 I116 I147I39-C47 HydrophobicContact CG2-CB 3.94Å; L40-C47 CarbonylContact O-C 3.53Å; L40-C47 WeakPolarHBondContact O-CA 3.46Å; C47-I116 HydrophobicContact CB-CD1 3.14Å; C47-I147 PolarHBondContact N-O 2.77Å; C47-I147 PolarHBondContact O-N 3.35Å
48V93.3Very high89.4Confident21 Ų2129.6 Ų29.613%0.12715%0.154CC..EExtended strand (participates in β ladder)trans-100.4123.9173.7-177.10000107.5F21 I39 L40 Y143 V146F21-V48 HydrophobicContact CE1-CG2 4.02Å; I39-V48 CarbonylContact C-O 3.58Å; I39-V48 WeakPolarHBondContact CA-O 3.45Å; L40-V48 HydrophobicContact CB-CB 4.21Å; L40-V48 PolarHBondContact N-O 3.05Å; L40-V48 PolarHBondContact O-N 2.83Å; V48-Y143 HydrophobicContact CG1-CD2 4.09Å; V48-Y143 HydrophobicContact CG1-CG 3.9Å; V48-V146 HydrophobicContact CG2-CG2 4.34Å
49V93.4Very high88.8Confident0 Ų035.3 Ų35.30%018%0.181CC..EExtended strand (participates in β ladder)trans-96.4130.6179-1770000109.1L99 I116 I144 A145 I147V49-L99 HydrophobicContact CB-CD1 4.17Å; V49-L99 HydrophobicContact CG1-CD1 3.92Å; V49-L99 HydrophobicContact CG2-CD1 4.47Å; V49-I116 HydrophobicContact CG2-CD1 4.45Å; V49-I144 WeakPolarHBondContact O-CB 3.33Å; V49-I144 PolarHBondContact O-N 2.78Å; V49-A145 PolarHBondContact N-O 2.8Å; V49-A145 PolarHBondContact O-N 2.9Å; V49-I147 HydrophobicContact CG2-CD1 3.71Å; V49-I147 HydrophobicContact CG2-CG1 4.3Å
50T92.4Very high88Confident0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-147.2-178.2177-166.60000110.6C38 P138C38-T50 HydrophobicContact CB-CG2 3.77Å; C38-T50 PolarHBondContact N-O 2.79Å; C38-T50 CarbonylContact O-C 3.57Å; C38-T50 PolarHBondContact O-N 2.89Å; T50-P138 VanDerWaalsContact CB-O 3.25Å; T50-P138 WeakPolarHBondContact CB-O 3.3Å; T50-P138 WeakPolarHBondContact CG2-O 3.47Å; T50-P138 PolarHBondContact OG1-O 3.25Å
51L91.1Very high86.9Confident5 Ų542.9 Ų42.93%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-87146.2177.6-57.9-178.9000111H55 I57 L58 I102 I112 L134 I144L51-H55 HydrophobicContact CB-CB 4.23Å; L51-I57 HydrophobicContact CD1-CB 4.09Å; L51-I57 HydrophobicContact CD1-CD1 3.83Å; L51-I57 HydrophobicContact CD1-CG2 4.11Å; L51-L58 HydrophobicContact CB-CD1 4.1Å; L51-I102 HydrophobicContact CD1-CD1 4.46Å; L51-I112 HydrophobicContact CD2-CD1 3.52Å; L51-I112 HydrophobicContact CD2-CG1 4.14Å; L51-I112 HydrophobicContact CD2-CG2 4.35Å; L51-L134 HydrophobicContact CD1-CD1 4.22Å; L51-L134 HydrophobicContact CD1-CD2 3.86Å; L51-L134 HydrophobicContact CD1-CG 4.1Å; L51-L134 HydrophobicContact CG-CD1 4.25Å; L51-I144 HydrophobicContact CD2-CD1 3.92Å; L51-I144 HydrophobicContact CG-CD1 3.99Å
52A90.4Very high86.4Confident1 Ų143.1 Ų43.11%0.00824%0.237CC..  trans-78.4151.8168.500000110.1Y25 D36 C38 T54 H55 L58 F167Y25-A52 HydrophobicContact CD1-CB 3.97Å; Y25-A52 HydrophobicContact CE1-CB 4.24Å; D36-A52 HydrophobicContact CB-CB 3.74Å; D36-A52 WeakPolarHBondContact O-CB 3.29Å; D36-A52 PolarHBondContact O-N 3.33Å; D36-A52 VanDerWaalsContact O-N 3.11Å; C38-A52 HydrophobicContact CB-CB 4.33Å; A52-T54 PolarHBondContact O-N 3.31Å; A52-H55 WeakPolarHBondContact O-CB 3.48Å; A52-H55 PolarHBondContact O-N 3.15Å; A52-L58 WeakPolarHBondContact O-CD1 3.49Å; A52-F167 HydrophobicContact CB-CE1 4.29Å; A52-F167 HydrophobicContact CB-CZ 3.93Å
53E85.9Confident86.1Confident126 Ų12645 Ų4559%0.58925%0.252SS*.THydrogen-bonded Turntrans-57.1-26.7-177.8-63.8170170.900113.1H55 Q59E53-H55 VanDerWaalsContact C-N 3.3Å; E53-Q59 WeakPolarHBondContact O-CG 3.48Å; E53-Q59 PolarHBondContact O-NE2 2.91Å
54T86.3Confident86.2Confident32 Ų3241.4 Ų41.420%0.19623%0.226CC..THydrogen-bonded Turntrans-80.7-7177.958.20000114D36 A52 F167 V171D36-T54 WeakPolarHBondContact CB-OG1 3.46Å; D36-T54 PolarHBondContact OD2-OG1 2.78Å; A52-T54 PolarHBondContact O-N 3.31Å; T54-F167 HydrophobicContact CG2-CE1 4.09Å; T54-F167 HydrophobicContact CG2-CZ 4.18Å; T54-F167 VanDerWaalsContact OG1-CZ 3.28Å; T54-F167 WeakPolarHBondContact OG1-CZ 3.26Å; T54-V171 HydrophobicContact CG2-CG1 3.86Å; T54-V171 HydrophobicContact CG2-CG2 3.79Å
55H87.1Confident86.3Confident0 Ų043.2 Ų43.20%023%0.23CC..SBendtrans-62.4136.2-178.2-165.2-78.3000110D36 L51 A52 E53 I57 L58 Q59 Y110D36-H55 PolarHBondContact O-CD2 3.15Å; L51-H55 HydrophobicContact CB-CB 4.23Å; A52-H55 WeakPolarHBondContact O-CB 3.48Å; A52-H55 PolarHBondContact O-N 3.15Å; E53-H55 VanDerWaalsContact C-N 3.3Å; H55-I57 WeakPolarHBondContact CE1-CD1 3.47Å; H55-I57 WeakPolarHBondContact ND1-CB 3Å; H55-I57 WeakPolarHBondContact ND1-CG1 3.44Å; H55-I57 PolarHBondContact ND1-N 2.84Å; H55-I57 PolarHBondContact O-N 3.47Å; H55-L58 PolarHBondContact O-N 3.02Å; H55-Q59 PolarHBondContact O-N 3.3Å; H55-Y110 AromaticContact CE1-CD1 3.9Å
56P83.9Confident86.3Confident20 Ų2040.9 Ų40.913%0.1323%0.229CC..Hα-helixtrans-56.3-17.3-179-28.430.5000115.6C34 D60 R62 Y110C34-P56 HydrophobicContact CB-CG 4.09Å; C34-P56 WeakPolarHBondContact O-CD 3.41Å; P56-D60 WeakPolarHBondContact O-CB 3.12Å; P56-D60 PolarHBondContact O-N 2.98Å; P56-R62 PolarHBondContact O-NH1 3.01Å; P56-R62 VanDerWaalsContact O-NH1 3.11Å; P56-Y110 HydrophobicContact CB-CE1 4.14Å; P56-Y110 HydrophobicContact CG-CE1 4.34Å
57I85.3Confident86.1Confident0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-71.5-37.8174.5-66.5170.2000110.3L51 H55 I64 I102 Y110 I112 L135L51-I57 HydrophobicContact CD1-CB 4.09Å; L51-I57 HydrophobicContact CD1-CD1 3.83Å; L51-I57 HydrophobicContact CD1-CG2 4.11Å; H55-I57 WeakPolarHBondContact CE1-CD1 3.47Å; H55-I57 WeakPolarHBondContact ND1-CB 3Å; H55-I57 WeakPolarHBondContact ND1-CG1 3.44Å; H55-I57 PolarHBondContact ND1-N 2.84Å; H55-I57 PolarHBondContact O-N 3.47Å; I57-I64 HydrophobicContact CG2-CD1 4.06Å; I57-I64 HydrophobicContact CG2-CG1 4.08Å; I57-I102 HydrophobicContact CD1-CB 4.06Å; I57-I102 HydrophobicContact CD1-CD1 3.84Å; I57-I102 HydrophobicContact CD1-CG2 3.97Å; I57-Y110 HydrophobicContact CD1-CD2 3.94Å; I57-Y110 HydrophobicContact CD1-CG 3.97Å; I57-Y110 HydrophobicContact CG1-CD2 3.68Å; I57-Y110 HydrophobicContact CG1-CE2 4.12Å; I57-Y110 HydrophobicContact CG1-CG 4.05Å; I57-I112 HydrophobicContact CD1-CD1 4.46Å; I57-L135 HydrophobicContact CG2-CD2 3.73Å
58L83.4Confident85.9Confident39 Ų3943.2 Ų43.220%0.20424%0.242CC..Hα-helixtrans-88.2-38.9-179.6-65.9175.9000112.2L51 A52 H55 L135L51-L58 HydrophobicContact CB-CD1 4.1Å; A52-L58 WeakPolarHBondContact O-CD1 3.49Å; H55-L58 PolarHBondContact O-N 3.02Å; L58-L135 HydrophobicContact CD2-CB 4.33Å; L58-L135 HydrophobicContact CD2-CD2 3.7Å
59Q80.4Confident85.5Confident123 Ų12342.3 Ų42.358%0.57524%0.236SC*.Hα-helixtrans-72.8-42.7-175.5-73.2-67.2-42.200113.8E53 H55 G61E53-Q59 WeakPolarHBondContact O-CG 3.48Å; E53-Q59 PolarHBondContact O-NE2 2.91Å; H55-Q59 PolarHBondContact O-N 3.3Å; Q59-G61 PolarHBondContact O-N 3.13Å; Q59-G61 VanDerWaalsContact O-N 3.12Å
60D76.1Confident84.9Confident94 Ų9446.8 Ų46.850%0.50326%0.257SS..THydrogen-bonded Turntrans-82.811.4-171.1-65.3-17.8000112.8P56 R62P56-D60 WeakPolarHBondContact O-CB 3.12Å; P56-D60 PolarHBondContact O-N 2.98Å; D60-R62 HydrophobicContact CB-CG 3.91Å; D60-R62 PolarHBondContact O-N 3.49Å; D60-R62 VanDerWaalsContact O-N 3.08Å; D60-R62 IonicContact OD2-CZ 2.83Å; D60-R62 IonicContact OD2-NE 3.69Å; D60-R62 IonicContact OD2-NH1 3.63Å; D60-R62 PolarHBondContact OD2-NH1 3.42Å; D60-R62 IonicContact OD2-NH2 3.77Å; D60-R62 PolarHBondContact OD2-NH2 3.26Å
61G70.9Confident84.1Confident68 Ų6848.2 Ų48.270%0.70126%0.264SS*.  trans58.423.3-177.800000113.6Q59Q59-G61 PolarHBondContact O-N 3.13Å; Q59-G61 VanDerWaalsContact O-N 3.12Å
62R80.6Confident83.1Confident19 Ų1950.9 Ų50.97%0.07228%0.283CS..PPolyproline II helixtrans-70.8138.8-173.2-75.8179.6176.9117.815.6111.1P56 D60 C104 D106 K108 Y110 L135P56-R62 PolarHBondContact O-NH1 3.01Å; P56-R62 VanDerWaalsContact O-NH1 3.11Å; D60-R62 HydrophobicContact CB-CG 3.91Å; D60-R62 PolarHBondContact O-N 3.49Å; D60-R62 VanDerWaalsContact O-N 3.08Å; D60-R62 IonicContact OD2-CZ 2.83Å; D60-R62 IonicContact OD2-NE 3.69Å; D60-R62 IonicContact OD2-NH1 3.63Å; D60-R62 PolarHBondContact OD2-NH1 3.42Å; D60-R62 IonicContact OD2-NH2 3.77Å; D60-R62 PolarHBondContact OD2-NH2 3.26Å; R62-C104 HydrophobicContact CB-CB 4.28Å; R62-D106 IonicContact CZ-OD2 3.03Å; R62-D106 IonicContact NE-OD2 2.74Å; R62-D106 PolarHBondContact NE-OD2 3.12Å; R62-D106 IonicContact NH2-OD2 3.84Å; R62-K108 VanDerWaalsContact NH2-NZ 3.16Å; R62-Y110 PolarHBondContact NH1-OH 3.48Å; R62-L135 WeakPolarHBondContact O-CD1 3.4Å
63T85.1Confident81.5Confident80 Ų8058.7 Ų58.749%0.49133%0.325SS..PPolyproline II helixtrans-83.5137.6167.8-16.90000109.4C104 S105T63-C104 CarbonylContact O-C 3.58Å; T63-C104 WeakPolarHBondContact O-CA 3.3Å; T63-S105 PolarHBondContact O-N 3.45Å
64I87.5Confident80.2Confident9 Ų956.5 Ų56.55%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-83.8122.5175.5-64.4161.9000108.1I57 I67 I102 P131 L134 L135I57-I64 HydrophobicContact CG2-CD1 4.06Å; I57-I64 HydrophobicContact CG2-CG1 4.08Å; I64-I67 HydrophobicContact CG2-CD1 4.04Å; I64-I67 HydrophobicContact CG2-CG1 3.59Å; I64-I102 HydrophobicContact CB-CG2 4.4Å; I64-I102 HydrophobicContact CD1-CG2 4.34Å; I64-I102 HydrophobicContact CG1-CG2 3.93Å; I64-I102 HydrophobicContact CG2-CG2 3.71Å; I64-P131 HydrophobicContact CB-CB 3.84Å; I64-P131 HydrophobicContact CD1-CB 4.44Å; I64-P131 HydrophobicContact CG2-CB 3.71Å; I64-L134 HydrophobicContact CD1-CB 4.09Å; I64-L134 HydrophobicContact CD1-CD2 3.74Å; I64-L134 HydrophobicContact CD1-CG 4.3Å; I64-L135 HydrophobicContact CD1-CD2 3.98Å; I64-L135 HydrophobicContact CD1-CG 4.07Å; I64-L135 HydrophobicContact CG1-CD2 4.48Å
65K88.3Confident78.8Confident125 Ų12556.7 Ų56.754%0.54334%0.338SS..EExtended strand (participates in β ladder)trans-83.5-43.7-179.8-176.1177.7-179.9175.20111.3M103 D107K65-M103 WeakPolarHBondContact CB-O 3.45Å; K65-M103 HydrophobicContact CD-CG 4.36Å; K65-M103 HydrophobicContact CD-SD 4.09Å; K65-M103 PolarHBondContact N-O 3.33Å; K65-D107 IonicContact NZ-OD1 2.8Å; K65-D107 PolarHBondContact NZ-OD1 2.92Å
66S86.9Confident77.9Confident53 Ų5357.8 Ų57.837%0.37135%0.346SS..EExtended strand (participates in β ladder)trans-157.9152.8176.363.70000111.5M103S66-M103 PolarHBondContact N-O 3Å; S66-M103 PolarHBondContact O-N 2.91Å
67I88.7Confident77.2Confident17 Ų1757.8 Ų57.89%0.08734%0.343CS..EExtended strand (participates in β ladder)trans-121.7133.2172.9-55.9-179.3000107.3I64 Y69 C100 R101 I102 I127 L128 P131 L134I64-I67 HydrophobicContact CG2-CD1 4.04Å; I64-I67 HydrophobicContact CG2-CG1 3.59Å; I67-Y69 HydrophobicContact CG2-CD2 4.45Å; I67-Y69 HydrophobicContact CG2-CE2 4.08Å; I67-C100 HydrophobicContact CG2-CB 4.08Å; I67-R101 CarbonylContact C-O 3.52Å; I67-R101 WeakPolarHBondContact CA-O 3.42Å; I67-I102 HydrophobicContact CG1-CG1 4.23Å; I67-I102 HydrophobicContact CG1-CG2 4.33Å; I67-I102 HydrophobicContact CG2-CG1 4.25Å; I67-I127 HydrophobicContact CD1-CB 3.94Å; I67-I127 HydrophobicContact CD1-CD1 3.6Å; I67-I127 HydrophobicContact CD1-CG1 3.76Å; I67-I127 HydrophobicContact CG2-CD1 4.28Å; I67-L128 HydrophobicContact CB-CD2 3.98Å; I67-L128 HydrophobicContact CG2-CD2 4.26Å; I67-L128 WeakPolarHBondContact O-CD2 3.31Å; I67-P131 HydrophobicContact CD1-CB 4.25Å; I67-L134 HydrophobicContact CD1-CD2 4.38Å
68N87.1Confident76.3Confident76 Ų7660.8 Ų60.841%0.40636%0.359SS..EExtended strand (participates in β ladder)trans-125.8114.9-177.6-168.7-9.7000111.1Q70 C100 R101N68-Q70 WeakPolarHBondContact OD1-CA 3.46Å; N68-Q70 WeakPolarHBondContact OD1-CB 3.21Å; N68-Q70 PolarHBondContact OD1-N 3.23Å; N68-C100 CarbonylContact O-C 3.57Å; N68-C100 WeakPolarHBondContact O-CA 3.43Å; N68-C100 WeakPolarHBondContact O-CB 3.29Å; N68-R101 PolarHBondContact N-O 3.07Å; N68-R101 PolarHBondContact O-N 3.37Å
69Y84.8Confident75.4Confident1 Ų165.1 Ų65.10%0.00438%0.383CS..  trans-88.5-0.7175.4-75.4-76.7000113.8I67 I71 R77 L78 L99 C100 V123 N124 I127 L128 I144I67-Y69 HydrophobicContact CG2-CD2 4.45Å; I67-Y69 HydrophobicContact CG2-CE2 4.08Å; Y69-I71 PolarHBondContact O-N 3.46Å; Y69-R77 HydrophobicContact CD1-CB 4.44Å; Y69-R77 PolarHBondContact O-N 3.45Å; Y69-R77 VanDerWaalsContact O-N 3.13Å; Y69-L78 HydrophobicContact CD2-CD2 4.21Å; Y69-L78 HydrophobicContact CG-CD2 4.42Å; Y69-L78 HydrophobicContact CG-CG 4.45Å; Y69-L99 WeakPolarHBondContact CD1-O 3.29Å; Y69-C100 HydrophobicContact CD1-CB 3.59Å; Y69-C100 HydrophobicContact CE1-CB 3.69Å; Y69-C100 HydrophobicContact CG-CB 4.13Å; Y69-V123 HydrophobicContact CD1-CB 4.08Å; Y69-V123 HydrophobicContact CD1-CG1 4.04Å; Y69-V123 HydrophobicContact CE1-CB 3.78Å; Y69-V123 HydrophobicContact CE1-CG1 3.93Å; Y69-N124 WeakPolarHBondContact CE2-O 3.41Å; Y69-N124 PolarHBondContact OH-O 2.79Å; Y69-N124 VanDerWaalsContact OH-O 3.08Å; Y69-I127 HydrophobicContact CE2-CD1 4.39Å; Y69-I127 HydrophobicContact CE2-CG1 4.3Å; Y69-I127 WeakPolarHBondContact OH-CD1 3.5Å; Y69-L128 HydrophobicContact CD2-CD1 4.08Å; Y69-L128 HydrophobicContact CD2-CD2 3.84Å; Y69-L128 HydrophobicContact CD2-CG 4.15Å; Y69-L128 HydrophobicContact CE2-CD1 4.35Å; Y69-L128 HydrophobicContact CE2-CD2 3.99Å; Y69-L128 HydrophobicContact CE2-CG 4.06Å; Y69-I144 HydrophobicContact CE1-CG2 4.14Å; Y69-I144 PolarHBondContact OH-O 2.81Å
70Q79.9Confident74.8Confident95 Ų9560.2 Ų60.244%0.44436%0.36SS..EExtended strand (participates in β ladder)trans-83.8105.2172.6-172.5175.9-33.100109.6N68N68-Q70 WeakPolarHBondContact OD1-CA 3.46Å; N68-Q70 WeakPolarHBondContact OD1-CB 3.21Å; N68-Q70 PolarHBondContact OD1-N 3.23Å
71I77.4Confident74.6Confident29 Ų2964.4 Ų64.415%0.14937%0.374CS..EExtended strand (participates in β ladder)trans-81.9-38.5-177.9-61.3-48.7000111.6Y69 C75 R77 P98 L99Y69-I71 PolarHBondContact O-N 3.46Å; I71-C75 PolarHBondContact N-O 2.74Å; I71-R77 HydrophobicContact CG1-CG 4.24Å; I71-P98 HydrophobicContact CB-CG 4.42Å; I71-P98 HydrophobicContact CD1-CB 3.88Å; I71-P98 HydrophobicContact CD1-CG 4.17Å; I71-P98 HydrophobicContact CG1-CB 4.43Å; I71-P98 HydrophobicContact CG1-CG 4.22Å; I71-P98 HydrophobicContact CG2-CB 4.25Å; I71-P98 HydrophobicContact CG2-CG 3.36Å; I71-L99 WeakPolarHBondContact CD1-O 3.16Å
72S68.9Low74.7Confident61 Ų6163.5 Ų63.543%0.42736%0.355SS..EExtended strand (participates in β ladder)trans-149.9166.3178.170.60000111.1G74 C75S72-G74 PolarHBondContact O-N 3.08Å; S72-C75 PolarHBondContact N-O 2.82Å; S72-C75 PolarHBondContact O-N 3.06Å; S72-C75 VanDerWaalsContact OG-CB 3.29Å; S72-C75 WeakPolarHBondContact OG-CB 3.44Å; S72-C75 PolarHBondContact OG-N 3.06Å
73N57.6Low74.3Confident166 Ų16666.2 Ų66.289%0.88838%0.376SS*.THydrogen-bonded Turntrans-58.7-8.8-177.6-69.1-6000114.9
74G57.6Low73.5Confident79 Ų7965.6 Ų65.681%0.81439%0.386SS*.THydrogen-bonded Turntrans-1294.8173.500000114.9S72S72-G74 PolarHBondContact O-N 3.08Å
75C56.7Low72.7Confident36 Ų3675.5 Ų75.524%0.24343%0.429CS..EExtended strand (participates in β ladder)trans-133.988.7-177.7-169.10000110.2I71 S72I71-C75 PolarHBondContact N-O 2.74Å; S72-C75 PolarHBondContact N-O 2.82Å; S72-C75 PolarHBondContact O-N 3.06Å; S72-C75 VanDerWaalsContact OG-CB 3.29Å; S72-C75 WeakPolarHBondContact OG-CB 3.44Å; S72-C75 PolarHBondContact OG-N 3.06Å
76S68.1Low71.8Confident24 Ų2473.5 Ų73.517%0.16843%0.43CS..EExtended strand (participates in β ladder)trans-95.7130.7164.8-175.40000109.2L78 N79 Q91S76-L78 PolarHBondContact O-N 2.99Å; S76-L78 PolarHBondContact OG-N 2.91Å; S76-N79 PolarHBondContact O-N 2.85Å; S76-Q91 PolarHBondContact O-NE2 2.75Å; S76-Q91 VanDerWaalsContact O-NE2 3.14Å
77R69.4Low71.4Confident19 Ų1973.5 Ų73.57%0.07242%0.424CS..SBendtrans-70.6-19.8174.9-59-54.8-170.4-173.10.4112.2Y69 I71 N79 N80 P98 L99 L120 V123Y69-R77 HydrophobicContact CD1-CB 4.44Å; Y69-R77 PolarHBondContact O-N 3.45Å; Y69-R77 VanDerWaalsContact O-N 3.13Å; I71-R77 HydrophobicContact CG1-CG 4.24Å; R77-N79 VanDerWaalsContact C-N 3.33Å; R77-N80 WeakPolarHBondContact O-CB 3.43Å; R77-N80 PolarHBondContact O-N 3.11Å; R77-P98 PolarHBondContact NE-O 3.38Å; R77-P98 PolarHBondContact NH2-O 2.74Å; R77-L99 WeakPolarHBondContact CG-O 3Å; R77-L120 HydrophobicContact CB-CD2 3.96Å; R77-L120 HydrophobicContact CG-CD2 4.28Å; R77-V123 HydrophobicContact CB-CG1 3.98Å
78L67Low70.5Confident64 Ų6481.8 Ų81.834%0.33545%0.454SS..THydrogen-bonded Turntrans-69.5-29.3177.2-64.5166.1000112.5Y69 S76 N80 V123 E125 L128Y69-L78 HydrophobicContact CD2-CD2 4.21Å; Y69-L78 HydrophobicContact CG-CD2 4.42Å; Y69-L78 HydrophobicContact CG-CG 4.45Å; S76-L78 PolarHBondContact O-N 2.99Å; S76-L78 PolarHBondContact OG-N 2.91Å; L78-N80 PolarHBondContact O-N 2.95Å; L78-N80 VanDerWaalsContact O-N 3.07Å; L78-V123 HydrophobicContact CD2-CG2 3.8Å; L78-E125 HydrophobicContact CD2-CG 3.76Å; L78-L128 HydrophobicContact CD1-CD1 4.48Å; L78-L128 HydrophobicContact CD2-CD1 4.27Å
79N65.1Low69.9Low130 Ų13080.9 Ų80.970%0.69546%0.462SS*.THydrogen-bonded Turntrans-7812.1177.9-77-1.2000113.4S76 R77 K81S76-N79 PolarHBondContact O-N 2.85Å; R77-N79 VanDerWaalsContact C-N 3.33Å; N79-K81 VanDerWaalsContact C-N 3.31Å; N79-K81 PolarHBondContact O-N 3.11Å
80N67.2Low69.8Low19 Ų1981.7 Ų81.710%0.10247%0.469CS..  trans-76.377.7-178.1-170.643.7000111.5R77 L78 V82 G89 A90 Q91 L120R77-N80 WeakPolarHBondContact O-CB 3.43Å; R77-N80 PolarHBondContact O-N 3.11Å; L78-N80 PolarHBondContact O-N 2.95Å; L78-N80 VanDerWaalsContact O-N 3.07Å; N80-V82 WeakPolarHBondContact ND2-CG2 3.4Å; N80-V82 PolarHBondContact O-N 3.45Å; N80-V82 VanDerWaalsContact O-N 3.08Å; N80-G89 PolarHBondContact OD1-O 3.11Å; N80-A90 VanDerWaalsContact OD1-CA 3.31Å; N80-A90 WeakPolarHBondContact OD1-CA 3.44Å; N80-Q91 PolarHBondContact OD1-N 2.88Å; N80-L120 HydrophobicContact CB-CD2 4.38Å; N80-L120 WeakPolarHBondContact ND2-CG 3.43Å; N80-L120 PolarHBondContact ND2-O 2.82Å
81K71.3Confident69.9Low182 Ų18279.3 Ų79.379%0.79146%0.458SS*.  trans-78.389.2175.2-70.2-173.2179.1-178.30110.8N79N79-K81 VanDerWaalsContact C-N 3.31Å; N79-K81 PolarHBondContact O-N 3.11Å
82V74.8Confident70.4Confident50 Ų5082.8 Ų82.830%0.30347%0.472SS..  trans-80.3121.4176-173.60000110.3N80 K87 A90 L120N80-V82 WeakPolarHBondContact ND2-CG2 3.4Å; N80-V82 PolarHBondContact O-N 3.45Å; N80-V82 VanDerWaalsContact O-N 3.08Å; V82-K87 HydrophobicContact CG1-CB 3.82Å; V82-K87 HydrophobicContact CG1-CG 4.26Å; V82-A90 HydrophobicContact CB-CB 4.48Å; V82-A90 HydrophobicContact CG1-CB 4.08Å; V82-A90 HydrophobicContact CG2-CB 3.71Å; V82-L120 WeakPolarHBondContact CG2-O 3.4Å
83S71.4Confident71.4Confident75 Ų7579.9 Ų79.952%0.52445%0.452SS..BIsolated β-bridgetrans-134.7147.8-179.4630000113.9R88S83-R88 PolarHBondContact N-O 2.9Å; S83-R88 PolarHBondContact O-N 3.05Å; S83-R88 PolarHBondContact OG-O 2.99Å
84G68.9Low72.8Confident67 Ų6775 Ų7569%0.69143%0.429SS*.THydrogen-bonded Turntrans72.9169.3174.200000115.6S86 K87G84-S86 PolarHBondContact O-N 2.87Å; G84-K87 PolarHBondContact O-N 3.47Å
85K70.9Confident74.2Confident217 Ų21772.7 Ų72.794%0.94340%0.397SS*.THydrogen-bonded Turntrans-57-32-179.6-65.9-179.3178.4179.20113.2K87K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 3.45Å
86S68.4Low75.6Confident83 Ų8375 Ų7558%0.5840%0.404SS*.THydrogen-bonded Turntrans-85.57.3178.6-51.60000113.7G84 R88 R119G84-S86 PolarHBondContact O-N 2.87Å; S86-R88 VanDerWaalsContact C-N 3.25Å; S86-R88 PolarHBondContact O-N 3.28Å; S86-R119 PolarHBondContact O-NH1 2.65Å
87K77.8Confident76.6Confident53 Ų5374.3 Ų74.323%0.2340%0.399CS..THydrogen-bonded Turntrans49.647.8179.5-57.5178.5176.3-150.10111.4V82 G84 K85 A90 R119 L121 L148V82-K87 HydrophobicContact CG1-CB 3.82Å; V82-K87 HydrophobicContact CG1-CG 4.26Å; G84-K87 PolarHBondContact O-N 3.47Å; K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 3.45Å; K87-A90 HydrophobicContact CB-CB 4.39Å; K87-A90 VanDerWaalsContact O-CB 3.31Å; K87-A90 WeakPolarHBondContact O-CB 3.36Å; K87-A90 PolarHBondContact O-N 2.86Å; K87-R119 PolarHBondContact O-NH1 2.9Å; K87-L121 HydrophobicContact CD-CD2 3.72Å; K87-L148 HydrophobicContact CD-CD2 3.59Å; K87-L148 VanDerWaalsContact CE-CD2 3.46Å
88R70.8Confident77.5Confident191 Ų19175 Ų7572%0.72141%0.406SS*.BIsolated β-bridgetrans-68.1139.4179.5-80.7-173.7174.6170.7-1.4108.8S83 S86 A90S83-R88 PolarHBondContact N-O 2.9Å; S83-R88 PolarHBondContact O-N 3.05Å; S83-R88 PolarHBondContact OG-O 2.99Å; S86-R88 VanDerWaalsContact C-N 3.25Å; S86-R88 PolarHBondContact O-N 3.28Å; R88-A90 VanDerWaalsContact C-N 3.29Å
89G73.5Confident78.6Confident57 Ų5772 Ų7259%0.58839%0.39SS*.THydrogen-bonded Turntrans87-10.3-175.500000114.5N80 Q91N80-G89 PolarHBondContact OD1-O 3.11Å; G89-Q91 PolarHBondContact O-N 2.96Å
90A82.3Confident79.8Confident18 Ų1865.8 Ų65.815%0.14936%0.357CS..PPolyproline II helixtrans-67123.5175.800000111.6N80 V82 K87 R88 F92 R119N80-A90 VanDerWaalsContact OD1-CA 3.31Å; N80-A90 WeakPolarHBondContact OD1-CA 3.44Å; V82-A90 HydrophobicContact CB-CB 4.48Å; V82-A90 HydrophobicContact CG1-CB 4.08Å; V82-A90 HydrophobicContact CG2-CB 3.71Å; K87-A90 HydrophobicContact CB-CB 4.39Å; K87-A90 VanDerWaalsContact O-CB 3.31Å; K87-A90 WeakPolarHBondContact O-CB 3.36Å; K87-A90 PolarHBondContact O-N 2.86Å; R88-A90 VanDerWaalsContact C-N 3.29Å; A90-F92 PolarHBondContact O-N 3.06Å; A90-R119 HydrophobicContact CB-CB 3.95Å; A90-R119 HydrophobicContact CB-CG 4.37Å
91Q83.9Confident80.9Confident46 Ų4669.2 Ų69.222%0.21537%0.369CS..PPolyproline II helixtrans-66.4131.5173.7-64.7-179.620.900110S76 N80 G89 R119 L120S76-Q91 PolarHBondContact O-NE2 2.75Å; S76-Q91 VanDerWaalsContact O-NE2 3.14Å; N80-Q91 PolarHBondContact OD1-N 2.88Å; G89-Q91 PolarHBondContact O-N 2.96Å; Q91-R119 WeakPolarHBondContact O-CA 3.24Å; Q91-L120 PolarHBondContact O-N 2.75Å
92F86.9Confident81.9Confident101 Ų10160.6 Ų60.644%0.44333%0.331SS..EExtended strand (participates in β ladder)trans-83.8128172.3-168.6-99.6000109.6A90 R119A90-F92 PolarHBondContact O-N 3.06Å; F92-R119 HydrophobicContact CD2-CG 4.2Å
93L89.1Confident82.6Confident0 Ų061 Ų610%033%0.33CS..EExtended strand (participates in β ladder)trans-106.8138.5-180-61179.1000109.9A97 L99 R117 G118 L120 I147L93-A97 HydrophobicContact CB-CB 4.15Å; L93-A97 HydrophobicContact CD2-CB 3.97Å; L93-L99 HydrophobicContact CD1-CD2 3.53Å; L93-R117 WeakPolarHBondContact O-CA 3.13Å; L93-G118 PolarHBondContact N-O 3.31Å; L93-G118 PolarHBondContact O-N 3.32Å; L93-L120 HydrophobicContact CD1-CB 3.75Å; L93-L120 HydrophobicContact CD1-CD1 3.97Å; L93-L120 HydrophobicContact CD1-CD2 4.46Å; L93-L120 HydrophobicContact CD1-CG 4.27Å; L93-L120 HydrophobicContact CG-CB 4.1Å; L93-I147 HydrophobicContact CD1-CD1 3.66Å; L93-I147 HydrophobicContact CD1-CG1 4.1Å
94T88.1Confident83.5Confident65 Ų6557.4 Ų57.440%0.39931%0.305SS..  trans-89.4166.116458.60000109.9F96 A97 S114T94-F96 VanDerWaalsContact C-N 3.26Å; T94-F96 PolarHBondContact O-N 3.03Å; T94-A97 WeakPolarHBondContact O-CB 3.4Å; T94-A97 PolarHBondContact O-N 2.7Å; T94-A97 PolarHBondContact OG1-N 2.74Å; T94-S114 WeakPolarHBondContact O-CB 3.43Å
95D85.9Confident84.3Confident29 Ų2956.8 Ų56.816%0.15529%0.291CS..THydrogen-bonded Turntrans-52.3-41.1174.844.6-38.4000112.9M29 C115 R117M29-D95 WeakPolarHBondContact CE-O 3.37Å; D95-C115 VanDerWaalsContact O-CA 3.3Å; D95-C115 WeakPolarHBondContact O-CA 3.45Å; D95-C115 PolarHBondContact O-N 3.17Å; D95-R117 HydrophobicContact CB-CG 4.2Å; D95-R117 IonicContact OD1-CZ 3.97Å; D95-R117 IonicContact OD1-NE 2.84Å; D95-R117 PolarHBondContact OD1-NE 2.82Å; D95-R117 IonicContact OD1-NH2 3.34Å; D95-R117 PolarHBondContact OD1-NH2 2.83Å; D95-R117 IonicContact OD2-NH2 2.85Å
96F86.6Confident85Confident85 Ų8550.5 Ų50.537%0.37327%0.268SS..THydrogen-bonded Turntrans-94.613.2177-58.2-80.9000114.1M29 K30 T94 P98 Y113M29-F96 HydrophobicContact CE-CB 4.25Å; M29-F96 HydrophobicContact CE-CD1 3.18Å; M29-F96 HydrophobicContact CE-CE1 3.63Å; M29-F96 HydrophobicContact CE-CG 3.89Å; M29-F96 HydrophobicContact SD-CD1 3.87Å; M29-F96 HydrophobicContact SD-CE1 3.76Å; K30-F96 HydrophobicContact CG-CD1 3.99Å; K30-F96 HydrophobicContact CG-CE1 4.41Å; T94-F96 VanDerWaalsContact C-N 3.26Å; T94-F96 PolarHBondContact O-N 3.03Å; F96-P98 WeakPolarHBondContact O-CD 2.98Å; F96-Y113 VanDerWaalsContact O-CD1 3.29Å; F96-Y113 WeakPolarHBondContact O-CD1 3.33Å
97A88.7Confident85.8Confident9 Ų952 Ų527%0.07427%0.269CS..  trans-71.9124.9177.300000109.8L93 T94 Y113 S114L93-A97 HydrophobicContact CB-CB 4.15Å; L93-A97 HydrophobicContact CD2-CB 3.97Å; T94-A97 WeakPolarHBondContact O-CB 3.4Å; T94-A97 PolarHBondContact O-N 2.7Å; T94-A97 PolarHBondContact OG1-N 2.74Å; A97-Y113 WeakPolarHBondContact O-CA 3.5Å; A97-S114 WeakPolarHBondContact O-CB 3.07Å; A97-S114 PolarHBondContact O-N 3.4Å
98P89.9Confident86.2Confident34 Ų3454.2 Ų54.222%0.22128%0.279CS..EExtended strand (participates in β ladder)trans-69139.7173.830.9-37.4000110.3I71 R77 F96 T111 I112 Y113I71-P98 HydrophobicContact CB-CG 4.42Å; I71-P98 HydrophobicContact CD1-CB 3.88Å; I71-P98 HydrophobicContact CD1-CG 4.17Å; I71-P98 HydrophobicContact CG1-CB 4.43Å; I71-P98 HydrophobicContact CG1-CG 4.22Å; I71-P98 HydrophobicContact CG2-CB 4.25Å; I71-P98 HydrophobicContact CG2-CG 3.36Å; R77-P98 PolarHBondContact NE-O 3.38Å; R77-P98 PolarHBondContact NH2-O 2.74Å; F96-P98 WeakPolarHBondContact O-CD 2.98Å; P98-T111 HydrophobicContact CB-CG2 3.72Å; P98-I112 WeakPolarHBondContact CA-O 3.49Å; P98-Y113 HydrophobicContact CB-CD1 4.29Å; P98-Y113 HydrophobicContact CB-CE1 4.23Å
99L89.9Confident87.1Confident0 Ų049.4 Ų49.40%026%0.264CS..EExtended strand (participates in β ladder)trans-100.2-54.6178.8-71.7178.2000111.1V49 Y69 I71 R77 L93 I112 L120 I144 A145 I147V49-L99 HydrophobicContact CB-CD1 4.17Å; V49-L99 HydrophobicContact CG1-CD1 3.92Å; V49-L99 HydrophobicContact CG2-CD1 4.47Å; Y69-L99 WeakPolarHBondContact CD1-O 3.29Å; I71-L99 WeakPolarHBondContact CD1-O 3.16Å; R77-L99 WeakPolarHBondContact CG-O 3Å; L93-L99 HydrophobicContact CD1-CD2 3.53Å; L99-I112 PolarHBondContact N-O 2.88Å; L99-L120 HydrophobicContact CD2-CD1 4.39Å; L99-I144 HydrophobicContact CB-CG2 4.48Å; L99-I144 HydrophobicContact CD1-CG2 4.4Å; L99-A145 HydrophobicContact CD1-CB 3.85Å; L99-A145 HydrophobicContact CD2-CB 4.14Å; L99-I147 HydrophobicContact CD2-CD1 4.5Å
100C90.1Very high87.9Confident0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-149.3165.1177.562.80000111.2I67 N68 Y69 I112I67-C100 HydrophobicContact CG2-CB 4.08Å; N68-C100 CarbonylContact O-C 3.57Å; N68-C100 WeakPolarHBondContact O-CA 3.43Å; N68-C100 WeakPolarHBondContact O-CB 3.29Å; Y69-C100 HydrophobicContact CD1-CB 3.59Å; Y69-C100 HydrophobicContact CE1-CB 3.69Å; Y69-C100 HydrophobicContact CG-CB 4.13Å; C100-I112 PolarHBondContact O-N 3.42Å
101R91Very high88.2Confident92 Ų9247.8 Ų47.835%0.34724%0.239SC..EExtended strand (participates in β ladder)trans-113.6128.8169.6-62.6173.5-177.5-137.210.9108.2I67 N68 E109 Y110I67-R101 CarbonylContact C-O 3.52Å; I67-R101 WeakPolarHBondContact CA-O 3.42Å; N68-R101 PolarHBondContact N-O 3.07Å; N68-R101 PolarHBondContact O-N 3.37Å; R101-E109 HydrophobicContact CB-CG 4.17Å; R101-E109 WeakPolarHBondContact CD-OE1 3.46Å; R101-E109 IonicContact CZ-OE1 3.48Å; R101-E109 IonicContact NE-OE1 2.74Å; R101-E109 IonicContact NH1-OE1 2.96Å; R101-E109 PolarHBondContact NH1-OE1 2.94Å; R101-Y110 CarbonylContact C-O 3.59Å; R101-Y110 WeakPolarHBondContact CA-O 3.27Å
102I90.5Very high88.6Confident0 Ų045.6 Ų45.60%023%0.229CC..EExtended strand (participates in β ladder)trans-110.2121.1179.7-58.2176.5000107.5L51 I57 I64 I67 E109 Y110 I112 L134L51-I102 HydrophobicContact CD1-CD1 4.46Å; I57-I102 HydrophobicContact CD1-CB 4.06Å; I57-I102 HydrophobicContact CD1-CD1 3.84Å; I57-I102 HydrophobicContact CD1-CG2 3.97Å; I64-I102 HydrophobicContact CB-CG2 4.4Å; I64-I102 HydrophobicContact CD1-CG2 4.34Å; I64-I102 HydrophobicContact CG1-CG2 3.93Å; I64-I102 HydrophobicContact CG2-CG2 3.71Å; I67-I102 HydrophobicContact CG1-CG1 4.23Å; I67-I102 HydrophobicContact CG1-CG2 4.33Å; I67-I102 HydrophobicContact CG2-CG1 4.25Å; I102-E109 WeakPolarHBondContact O-CA 3.29Å; I102-Y110 PolarHBondContact N-O 2.76Å; I102-Y110 PolarHBondContact O-N 2.86Å; I102-I112 HydrophobicContact CD1-CD1 4.06Å; I102-I112 HydrophobicContact CD1-CG1 3.61Å; I102-I112 HydrophobicContact CG1-CG1 4.08Å; I102-L134 HydrophobicContact CD1-CD2 3.54Å
103M90.1Very high88.8Confident58 Ų5841.6 Ų41.629%0.28621%0.211SC..EExtended strand (participates in β ladder)trans-98.5122.3173.8-172.2177.4-67.500108.8K65 S66K65-M103 WeakPolarHBondContact CB-O 3.45Å; K65-M103 HydrophobicContact CD-CG 4.36Å; K65-M103 HydrophobicContact CD-SD 4.09Å; K65-M103 PolarHBondContact N-O 3.33Å; S66-M103 PolarHBondContact N-O 3Å; S66-M103 PolarHBondContact O-N 2.91Å
104C89.4Confident88.7Confident0 Ų041.6 Ų41.60%021%0.211CC..EExtended strand (participates in β ladder)trans-86.8168174.8-68.50000111.8R62 T63 D106 D107 K108R62-C104 HydrophobicContact CB-CB 4.28Å; T63-C104 CarbonylContact O-C 3.58Å; T63-C104 WeakPolarHBondContact O-CA 3.3Å; C104-D106 PolarHBondContact O-N 3.43Å; C104-D107 PolarHBondContact O-N 3.25Å; C104-D107 VanDerWaalsContact O-N 3.13Å; C104-K108 PolarHBondContact N-O 3.08Å
105S87.6Confident88.8Confident55 Ų5538.7 Ų38.739%0.38519%0.193SC..THydrogen-bonded Turntrans-52.5-32.2171.951.90000113.4T63 D107T63-S105 PolarHBondContact O-N 3.45Å; S105-D107 PolarHBondContact O-N 3.18Å; S105-D107 VanDerWaalsContact O-N 3.14Å
106D85.4Confident89Confident85 Ų8537.4 Ų37.446%0.45519%0.186SC..THydrogen-bonded Turntrans-80.815.2-178-52.2-12.4000112.8R62 C104 K108R62-D106 IonicContact CZ-OD2 3.03Å; R62-D106 IonicContact NE-OD2 2.74Å; R62-D106 PolarHBondContact NE-OD2 3.12Å; R62-D106 IonicContact NH2-OD2 3.84Å; C104-D106 PolarHBondContact O-N 3.43Å; D106-K108 HydrophobicContact CB-CG 4.38Å; D106-K108 PolarHBondContact O-N 3.06Å
107D84.4Confident89.2Confident113 Ų11339 Ų3960%0.60419%0.19SC*.SBendtrans54.417.3-173.3-64.5-49.4000114.6K65 C104 S105K65-D107 IonicContact NZ-OD1 2.8Å; K65-D107 PolarHBondContact NZ-OD1 2.92Å; C104-D107 PolarHBondContact O-N 3.25Å; C104-D107 VanDerWaalsContact O-N 3.13Å; S105-D107 PolarHBondContact O-N 3.18Å; S105-D107 VanDerWaalsContact O-N 3.14Å
108K87.2Confident89.3Confident101 Ų10138.6 Ų38.644%0.43919%0.186SC..  trans-80.1132.6170.9-68-175.6-176.1174.90110.6R62 C104 D106 Y110R62-K108 VanDerWaalsContact NH2-NZ 3.16Å; C104-K108 PolarHBondContact N-O 3.08Å; D106-K108 HydrophobicContact CB-CG 4.38Å; D106-K108 PolarHBondContact O-N 3.06Å; K108-Y110 HydrophobicContact CB-CE2 3.88Å; K108-Y110 WeakPolarHBondContact CD-OH 3.43Å
109E89.1Confident89.3Confident89 Ų8941.4 Ų41.442%0.41619%0.193SC..EExtended strand (participates in β ladder)trans-104.1124.5175-176.4176101.900111R101 I102R101-E109 HydrophobicContact CB-CG 4.17Å; R101-E109 WeakPolarHBondContact CD-OE1 3.46Å; R101-E109 IonicContact CZ-OE1 3.48Å; R101-E109 IonicContact NE-OE1 2.74Å; R101-E109 IonicContact NH1-OE1 2.96Å; R101-E109 PolarHBondContact NH1-OE1 2.94Å; I102-E109 WeakPolarHBondContact O-CA 3.29Å
110Y89.4Confident89.4Confident21 Ų2141.4 Ų41.48%0.08219%0.193CC..EExtended strand (participates in β ladder)trans-108.7130173.9-64.9-79.8000109.6E35 H55 P56 I57 R62 R101 I102 K108E35-Y110 HydrophobicContact CG-CD1 4.14Å; E35-Y110 WeakPolarHBondContact OE1-CD1 3.41Å; H55-Y110 AromaticContact CE1-CD1 3.9Å; P56-Y110 HydrophobicContact CB-CE1 4.14Å; P56-Y110 HydrophobicContact CG-CE1 4.34Å; I57-Y110 HydrophobicContact CD1-CD2 3.94Å; I57-Y110 HydrophobicContact CD1-CG 3.97Å; I57-Y110 HydrophobicContact CG1-CD2 3.68Å; I57-Y110 HydrophobicContact CG1-CE2 4.12Å; I57-Y110 HydrophobicContact CG1-CG 4.05Å; R62-Y110 PolarHBondContact NH1-OH 3.48Å; R101-Y110 CarbonylContact C-O 3.59Å; R101-Y110 WeakPolarHBondContact CA-O 3.27Å; I102-Y110 PolarHBondContact N-O 2.76Å; I102-Y110 PolarHBondContact O-N 2.86Å; K108-Y110 HydrophobicContact CB-CE2 3.88Å; K108-Y110 WeakPolarHBondContact CD-OH 3.43Å
111T90.1Very high89.3Confident20 Ų2043.3 Ų43.312%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-100.1118176.1-58.40000109P98 Y113P98-T111 HydrophobicContact CB-CG2 3.72Å; T111-Y113 HydrophobicContact CG2-CE1 4.02Å; T111-Y113 HydrophobicContact CG2-CE2 4.06Å; T111-Y113 VanDerWaalsContact O-CD2 3.29Å; T111-Y113 WeakPolarHBondContact O-CD2 3.48Å; T111-Y113 WeakPolarHBondContact O-CE2 3.49Å
112I90.6Very high89.2Confident0 Ų044 Ų440%021%0.209CC..EExtended strand (participates in β ladder)trans-89132.7178.5-52.1-45.8000109.1H37 L51 I57 P98 L99 C100 I102 I144H37-I112 WeakPolarHBondContact NE2-CG2 3.16Å; L51-I112 HydrophobicContact CD2-CD1 3.52Å; L51-I112 HydrophobicContact CD2-CG1 4.14Å; L51-I112 HydrophobicContact CD2-CG2 4.35Å; I57-I112 HydrophobicContact CD1-CD1 4.46Å; P98-I112 WeakPolarHBondContact CA-O 3.49Å; L99-I112 PolarHBondContact N-O 2.88Å; C100-I112 PolarHBondContact O-N 3.42Å; I102-I112 HydrophobicContact CD1-CD1 4.06Å; I102-I112 HydrophobicContact CD1-CG1 3.61Å; I102-I112 HydrophobicContact CG1-CG1 4.08Å; I112-I144 HydrophobicContact CB-CD1 4.41Å; I112-I144 HydrophobicContact CG1-CD1 4.16Å; I112-I144 HydrophobicContact CG2-CD1 3.7Å; I112-I144 HydrophobicContact CG2-CG2 4.48Å
113Y90.9Very high89.1Confident18 Ų1844.5 Ų44.57%0.07121%0.213CC..EExtended strand (participates in β ladder)trans-106.7158.6-178.9-62.9-83.3000111.8M29 K30 H37 F96 A97 P98 T111 C115M29-Y113 HydrophobicContact CB-CD2 4.24Å; M29-Y113 HydrophobicContact CE-CG 4.05Å; M29-Y113 HydrophobicContact CG-CD2 3.48Å; M29-Y113 VanDerWaalsContact CG-CD2 3.48Å; M29-Y113 HydrophobicContact CG-CE2 4.2Å; M29-Y113 HydrophobicContact CG-CG 3.85Å; K30-Y113 HydrophobicContact CD-CE1 4.25Å; H37-Y113 PolarHBondContact CD2-O 2.91Å; H37-Y113 PolarHBondContact NE2-N 3.34Å; F96-Y113 VanDerWaalsContact O-CD1 3.29Å; F96-Y113 WeakPolarHBondContact O-CD1 3.33Å; A97-Y113 WeakPolarHBondContact O-CA 3.5Å; P98-Y113 HydrophobicContact CB-CD1 4.29Å; P98-Y113 HydrophobicContact CB-CE1 4.23Å; T111-Y113 HydrophobicContact CG2-CE1 4.02Å; T111-Y113 HydrophobicContact CG2-CE2 4.06Å; T111-Y113 VanDerWaalsContact O-CD2 3.29Å; T111-Y113 WeakPolarHBondContact O-CD2 3.48Å; T111-Y113 WeakPolarHBondContact O-CE2 3.49Å; Y113-C115 VanDerWaalsContact C-N 3.29Å; Y113-C115 PolarHBondContact O-N 3.48Å
114S88.6Confident89.1Confident0 Ų041.7 Ų41.70%020%0.199CC..  trans-62.1-36.5176.6-1750000112.4T94 A97 I116 I147T94-S114 WeakPolarHBondContact O-CB 3.43Å; A97-S114 WeakPolarHBondContact O-CB 3.07Å; A97-S114 PolarHBondContact O-N 3.4Å; S114-I116 WeakPolarHBondContact O-CG1 3.2Å; S114-I116 PolarHBondContact O-N 2.79Å; S114-I116 PolarHBondContact OG-O 3.33Å; S114-I147 WeakPolarHBondContact OG-CD1 3.5Å
115C89.7Confident89Confident4 Ų447.1 Ų47.13%0.02722%0.224CC..  trans62-20.7-173.6-58.90000115.1R26 H37 I39 D95 Y113R26-C115 HydrophobicContact CB-CB 3.96Å; R26-C115 HydrophobicContact CG-CB 4.08Å; H37-C115 VanDerWaalsContact CB-SG 3.52Å; H37-C115 VanDerWaalsContact CG-SG 3.51Å; I39-C115 HydrophobicContact CD1-CB 3.91Å; I39-C115 HydrophobicContact CG1-CB 4.28Å; D95-C115 VanDerWaalsContact O-CA 3.3Å; D95-C115 WeakPolarHBondContact O-CA 3.45Å; D95-C115 PolarHBondContact O-N 3.17Å; Y113-C115 VanDerWaalsContact C-N 3.29Å; Y113-C115 PolarHBondContact O-N 3.48Å
116I90.7Very high88.9Confident2 Ų248.8 Ų48.81%0.0123%0.229CC..SBendtrans-126.4156.3178.258.4173.6000111.1I39 C47 V49 S114 I147 I157 L161I39-I116 HydrophobicContact CG1-CG2 4.41Å; I39-I116 HydrophobicContact CG2-CD1 4.25Å; I39-I116 HydrophobicContact CG2-CG2 4.33Å; C47-I116 HydrophobicContact CB-CD1 3.14Å; V49-I116 HydrophobicContact CG2-CD1 4.45Å; S114-I116 WeakPolarHBondContact O-CG1 3.2Å; S114-I116 PolarHBondContact O-N 2.79Å; S114-I116 PolarHBondContact OG-O 3.33Å; I116-I147 HydrophobicContact CD1-CB 3.9Å; I116-I147 HydrophobicContact CD1-CD1 4.22Å; I116-I147 HydrophobicContact CD1-CG2 3.99Å; I116-I147 HydrophobicContact CG1-CB 4.44Å; I116-I147 HydrophobicContact CG1-CD1 3.98Å; I116-I147 HydrophobicContact CG1-CG2 4.23Å; I116-I157 HydrophobicContact CG2-CB 4.43Å; I116-L161 HydrophobicContact CG2-CD1 3.94Å
117R90.3Very high89.1Confident119 Ų11944.7 Ų44.745%0.44921%0.207SC..  trans-91.6135.3173.1-61.1-169.9170.61712.1110.1L93 D95L93-R117 WeakPolarHBondContact O-CA 3.13Å; D95-R117 HydrophobicContact CB-CG 4.2Å; D95-R117 IonicContact OD1-CZ 3.97Å; D95-R117 IonicContact OD1-NE 2.84Å; D95-R117 PolarHBondContact OD1-NE 2.82Å; D95-R117 IonicContact OD1-NH2 3.34Å; D95-R117 PolarHBondContact OD1-NH2 2.83Å; D95-R117 IonicContact OD2-NH2 2.85Å
118G90.7Very high89.1Confident0 Ų042.7 Ų42.70%020%0.196CC..EExtended strand (participates in β ladder)trans168.3-177.9179.900000114.2L93 L148L93-G118 PolarHBondContact N-O 3.31Å; L93-G118 PolarHBondContact O-N 3.32Å; G118-L148 CarbonylContact C-O 3.33Å; G118-L148 VanDerWaalsContact CA-O 3.32Å; G118-L148 WeakPolarHBondContact CA-O 3.41Å
119R90.1Very high89.1Confident93 Ų9345.7 Ų45.735%0.35121%0.211SC..EExtended strand (participates in β ladder)trans-88.4123.4173.9-67.3-174.3-177.3-163.78.7109.5S86 K87 A90 Q91 F92 L121 I147 L148S86-R119 PolarHBondContact O-NH1 2.65Å; K87-R119 PolarHBondContact O-NH1 2.9Å; A90-R119 HydrophobicContact CB-CB 3.95Å; A90-R119 HydrophobicContact CB-CG 4.37Å; Q91-R119 WeakPolarHBondContact O-CA 3.24Å; F92-R119 HydrophobicContact CD2-CG 4.2Å; R119-L121 PolarHBondContact O-N 2.84Å; R119-I147 WeakPolarHBondContact O-CA 3.49Å; R119-L148 PolarHBondContact N-O 2.85Å; R119-L148 PolarHBondContact O-N 2.84Å
120L90.5Very high89Confident0 Ų044.7 Ų44.70%021%0.211CC..EExtended strand (participates in β ladder)trans-63.3123.6170.1-175.160.9000108.6R77 N80 V82 Q91 L93 L99 E122 V123 A145 I147R77-L120 HydrophobicContact CB-CD2 3.96Å; R77-L120 HydrophobicContact CG-CD2 4.28Å; N80-L120 HydrophobicContact CB-CD2 4.38Å; N80-L120 WeakPolarHBondContact ND2-CG 3.43Å; N80-L120 PolarHBondContact ND2-O 2.82Å; V82-L120 WeakPolarHBondContact CG2-O 3.4Å; Q91-L120 PolarHBondContact O-N 2.75Å; L93-L120 HydrophobicContact CD1-CB 3.75Å; L93-L120 HydrophobicContact CD1-CD1 3.97Å; L93-L120 HydrophobicContact CD1-CD2 4.46Å; L93-L120 HydrophobicContact CD1-CG 4.27Å; L93-L120 HydrophobicContact CG-CB 4.1Å; L99-L120 HydrophobicContact CD2-CD1 4.39Å; L120-E122 WeakPolarHBondContact CD1-O 3.28Å; L120-V123 HydrophobicContact CD1-CG1 3.95Å; L120-V123 HydrophobicContact CD2-CG1 3.94Å; L120-V123 HydrophobicContact CG-CG1 4.35Å; L120-A145 HydrophobicContact CD1-CB 3.83Å; L120-I147 HydrophobicContact CD1-CG1 4.23Å
121L88.6Confident88.8Confident40 Ų4045 Ų4521%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-94.6-48.6174.8-59.5-170.6000110.7L46 K87 R119 V146 L148L46-L121 HydrophobicContact CD2-CD1 3.36Å; K87-L121 HydrophobicContact CD-CD2 3.72Å; R119-L121 PolarHBondContact O-N 2.84Å; L121-V146 HydrophobicContact CB-CB 4.49Å; L121-V146 WeakPolarHBondContact CB-O 3.32Å; L121-V146 HydrophobicContact CD1-CG1 4.29Å; L121-V146 PolarHBondContact N-O 2.85Å; L121-L148 HydrophobicContact CD1-CB 4.02Å; L121-L148 HydrophobicContact CD2-CB 3.95Å; L121-L148 HydrophobicContact CG-CB 4.01Å
122E88.3Confident88.7Confident105 Ų10547.5 Ų47.549%0.49123%0.229SC..EExtended strand (participates in β ladder)trans-150.4147.2-168.9-170.7170.3159.900109.6L120 Y143 A145 V146L120-E122 WeakPolarHBondContact CD1-O 3.28Å; E122-Y143 PolarHBondContact OE1-OH 3.23Å; E122-A145 CarbonylContact O-C 3.48Å; E122-A145 WeakPolarHBondContact O-CA 3.29Å; E122-V146 HydrophobicContact CB-CB 4.24Å; E122-V146 HydrophobicContact CB-CG2 4.38Å; E122-V146 PolarHBondContact N-O 2.83Å; E122-V146 PolarHBondContact O-N 3.3Å
123V89.4Confident88.5Confident11 Ų1148.9 Ų48.97%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-119.4144.8166.5-69.90000107.5Y69 R77 L78 L120 E125 A145Y69-V123 HydrophobicContact CD1-CB 4.08Å; Y69-V123 HydrophobicContact CD1-CG1 4.04Å; Y69-V123 HydrophobicContact CE1-CB 3.78Å; Y69-V123 HydrophobicContact CE1-CG1 3.93Å; R77-V123 HydrophobicContact CB-CG1 3.98Å; L78-V123 HydrophobicContact CD2-CG2 3.8Å; L120-V123 HydrophobicContact CD1-CG1 3.95Å; L120-V123 HydrophobicContact CD2-CG1 3.94Å; L120-V123 HydrophobicContact CG-CG1 4.35Å; V123-E125 PolarHBondContact O-N 3.05Å; V123-A145 HydrophobicContact CG1-CB 4.27Å
124N89.1Confident88.3Confident0 Ų048 Ų480%023%0.233CC..  trans-78.6108.9-178.3-166.9-7.2000110.2Y69 N126 I127 E141 Y143 I144Y69-N124 WeakPolarHBondContact CE2-O 3.41Å; Y69-N124 PolarHBondContact OH-O 2.79Å; Y69-N124 VanDerWaalsContact OH-O 3.08Å; N124-N126 VanDerWaalsContact C-N 3.32Å; N124-N126 VanDerWaalsContact OD1-CB 3.24Å; N124-N126 WeakPolarHBondContact OD1-CB 3.45Å; N124-N126 PolarHBondContact OD1-N 2.87Å; N124-N126 PolarHBondContact OD1-ND2 3Å; N124-I127 HydrophobicContact CB-CG1 4.44Å; N124-I127 HydrophobicContact CB-CG2 4.47Å; N124-I127 WeakPolarHBondContact O-CG1 3.27Å; N124-E141 PolarHBondContact ND2-O 2.72Å; N124-Y143 HydrophobicContact CB-CD2 4.1Å; N124-Y143 HydrophobicContact CB-CE1 4.36Å; N124-Y143 HydrophobicContact CB-CE2 3.79Å; N124-Y143 HydrophobicContact CB-CG 4.49Å; N124-Y143 WeakPolarHBondContact CB-O 3.44Å; N124-Y143 PolarHBondContact ND2-O 2.91Å; N124-I144 PolarHBondContact N-O 2.69Å
125E87.6Confident88.2Confident114 Ų11450.2 Ų50.253%0.53324%0.244SC..SBendtrans-78.9-21.9176.3-62.5-177.6-164.200111.5L78 V123 I127 L128L78-E125 HydrophobicContact CD2-CG 3.76Å; V123-E125 PolarHBondContact O-N 3.05Å; E125-I127 PolarHBondContact O-N 2.77Å; E125-L128 WeakPolarHBondContact O-CB 3.47Å; E125-L128 PolarHBondContact O-N 2.85Å
126N87Confident87.9Confident89 Ų8956.9 Ų56.948%0.47628%0.275SS..Hα-helixtrans-65.2-29-177.4-53.4-55.4000112.4N124 L128 E129 T130 L133N124-N126 VanDerWaalsContact C-N 3.32Å; N124-N126 VanDerWaalsContact OD1-CB 3.24Å; N124-N126 WeakPolarHBondContact OD1-CB 3.45Å; N124-N126 PolarHBondContact OD1-N 2.87Å; N124-N126 PolarHBondContact OD1-ND2 3Å; N126-L128 PolarHBondContact O-N 2.78Å; N126-E129 PolarHBondContact O-N 2.81Å; N126-T130 PolarHBondContact O-N 2.87Å; N126-L133 HydrophobicContact CB-CD1 4.11Å
127I88Confident87.7Confident0 Ų060.8 Ų60.80%029%0.292CS..Hα-helixtrans-72.8-14.1176.468.6173.1000112.7I67 Y69 N124 E125 P131 L133 I144I67-I127 HydrophobicContact CD1-CB 3.94Å; I67-I127 HydrophobicContact CD1-CD1 3.6Å; I67-I127 HydrophobicContact CD1-CG1 3.76Å; I67-I127 HydrophobicContact CG2-CD1 4.28Å; Y69-I127 HydrophobicContact CE2-CD1 4.39Å; Y69-I127 HydrophobicContact CE2-CG1 4.3Å; Y69-I127 WeakPolarHBondContact OH-CD1 3.5Å; N124-I127 HydrophobicContact CB-CG1 4.44Å; N124-I127 HydrophobicContact CB-CG2 4.47Å; N124-I127 WeakPolarHBondContact O-CG1 3.27Å; E125-I127 PolarHBondContact O-N 2.77Å; I127-P131 VanDerWaalsContact O-CA 3.24Å; I127-P131 WeakPolarHBondContact O-CA 3.47Å; I127-P131 WeakPolarHBondContact O-CB 3.32Å; I127-L133 HydrophobicContact CG2-CB 4.31Å; I127-I144 HydrophobicContact CD1-CG1 4.44Å
128L85.9Confident87.4Confident71 Ų7156.2 Ų56.237%0.37228%0.278SS..Hα-helixtrans-73.5-38.1170.8-61.1170.7000111I67 Y69 L78 E125 N126I67-L128 HydrophobicContact CB-CD2 3.98Å; I67-L128 HydrophobicContact CG2-CD2 4.26Å; I67-L128 WeakPolarHBondContact O-CD2 3.31Å; Y69-L128 HydrophobicContact CD2-CD1 4.08Å; Y69-L128 HydrophobicContact CD2-CD2 3.84Å; Y69-L128 HydrophobicContact CD2-CG 4.15Å; Y69-L128 HydrophobicContact CE2-CD1 4.35Å; Y69-L128 HydrophobicContact CE2-CD2 3.99Å; Y69-L128 HydrophobicContact CE2-CG 4.06Å; L78-L128 HydrophobicContact CD1-CD1 4.48Å; L78-L128 HydrophobicContact CD2-CD1 4.27Å; E125-L128 WeakPolarHBondContact O-CB 3.47Å; E125-L128 PolarHBondContact O-N 2.85Å; N126-L128 PolarHBondContact O-N 2.78Å
129E85.9Confident86.9Confident163 Ų16358 Ų5876%0.76229%0.29SS*.Hα-helixtrans-80.9-43.7177.6-59.4-170131.700111.3N126N126-E129 PolarHBondContact O-N 2.81Å
130T87.6Confident86.6Confident68 Ų6857 Ų5742%0.41729%0.294SS..  trans-128.483.7-177.4-50.70000110.4N126 N132 L133N126-T130 PolarHBondContact O-N 2.87Å; T130-N132 HydrophobicContact CG2-CB 4.49Å; T130-N132 PolarHBondContact O-N 3.29Å; T130-L133 HydrophobicContact CG2-CD1 4.38Å; T130-L133 HydrophobicContact CG2-CG 3.94Å; T130-L133 WeakPolarHBondContact O-CB 3.42Å; T130-L133 WeakPolarHBondContact O-CG 3.5Å; T130-L133 PolarHBondContact O-N 2.84Å
131P86.1Confident86.4Confident29 Ų2961.6 Ų61.619%0.18832%0.316CS..THydrogen-bonded Turntrans-69.4-18.3-175.429.6-37000113.3I64 I67 I127 L133 L134I64-P131 HydrophobicContact CB-CB 3.84Å; I64-P131 HydrophobicContact CD1-CB 4.44Å; I64-P131 HydrophobicContact CG2-CB 3.71Å; I67-P131 HydrophobicContact CD1-CB 4.25Å; I127-P131 VanDerWaalsContact O-CA 3.24Å; I127-P131 WeakPolarHBondContact O-CA 3.47Å; I127-P131 WeakPolarHBondContact O-CB 3.32Å; P131-L133 PolarHBondContact O-N 3.02Å; P131-L134 WeakPolarHBondContact O-CB 3.34Å; P131-L134 PolarHBondContact O-N 3.29Å
132N86.3Confident86.3Confident71 Ų7159.7 Ų59.738%0.3831%0.306SS..Hα-helixtrans-61.1-24174.2-67.8-33.6000112.9T130 L134 L135 E136T130-N132 HydrophobicContact CG2-CB 4.49Å; T130-N132 PolarHBondContact O-N 3.29Å; N132-L134 PolarHBondContact O-N 3.03Å; N132-L135 WeakPolarHBondContact O-CA 3.46Å; N132-L135 WeakPolarHBondContact O-CB 3.04Å; N132-L135 PolarHBondContact O-N 3.34Å; N132-E136 PolarHBondContact O-N 2.67Å
133L87.4Confident86.4Confident29 Ų2956.5 Ų56.515%0.15229%0.29CS..Hα-helixtrans-58.2-36.1176.1-69.2174.1000112.1N126 I127 T130 P131 L135 K137 E141 G142N126-L133 HydrophobicContact CB-CD1 4.11Å; I127-L133 HydrophobicContact CG2-CB 4.31Å; T130-L133 HydrophobicContact CG2-CD1 4.38Å; T130-L133 HydrophobicContact CG2-CG 3.94Å; T130-L133 WeakPolarHBondContact O-CB 3.42Å; T130-L133 WeakPolarHBondContact O-CG 3.5Å; T130-L133 PolarHBondContact O-N 2.84Å; P131-L133 PolarHBondContact O-N 3.02Å; L133-L135 PolarHBondContact O-N 3.02Å; L133-K137 CarbonylContact O-C 3.58Å; L133-K137 WeakPolarHBondContact O-CA 3.33Å; L133-K137 PolarHBondContact O-N 3.49Å; L133-E141 HydrophobicContact CD2-CB 4.24Å; L133-G142 VanDerWaalsContact O-CA 3.3Å; L133-G142 WeakPolarHBondContact O-CA 3.5Å
134L86.4Confident86.5Confident0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-64.5-31176.6-17662.2000111.9L51 I64 I67 I102 P131 N132 P138 G142 I144L51-L134 HydrophobicContact CD1-CD1 4.22Å; L51-L134 HydrophobicContact CD1-CD2 3.86Å; L51-L134 HydrophobicContact CD1-CG 4.1Å; L51-L134 HydrophobicContact CG-CD1 4.25Å; I64-L134 HydrophobicContact CD1-CB 4.09Å; I64-L134 HydrophobicContact CD1-CD2 3.74Å; I64-L134 HydrophobicContact CD1-CG 4.3Å; I67-L134 HydrophobicContact CD1-CD2 4.38Å; I102-L134 HydrophobicContact CD1-CD2 3.54Å; P131-L134 WeakPolarHBondContact O-CB 3.34Å; P131-L134 PolarHBondContact O-N 3.29Å; N132-L134 PolarHBondContact O-N 3.03Å; L134-P138 WeakPolarHBondContact O-CB 3.5Å; L134-G142 WeakPolarHBondContact CD1-O 3.25Å; L134-I144 HydrophobicContact CD1-CD1 4.04Å; L134-I144 HydrophobicContact CD1-CG1 3.82Å
135L85.8Confident86.7Confident47 Ų4756 Ų5625%0.24629%0.286CS..Hα-helixtrans-83.5-48.6-179.1-56.8177.3000111.8I57 L58 R62 I64 N132 L133I57-L135 HydrophobicContact CG2-CD2 3.73Å; L58-L135 HydrophobicContact CD2-CB 4.33Å; L58-L135 HydrophobicContact CD2-CD2 3.7Å; R62-L135 WeakPolarHBondContact O-CD1 3.4Å; I64-L135 HydrophobicContact CD1-CD2 3.98Å; I64-L135 HydrophobicContact CD1-CG 4.07Å; I64-L135 HydrophobicContact CG1-CD2 4.48Å; N132-L135 WeakPolarHBondContact O-CA 3.46Å; N132-L135 WeakPolarHBondContact O-CB 3.04Å; N132-L135 PolarHBondContact O-N 3.34Å; L133-L135 PolarHBondContact O-N 3.02Å
136E85.3Confident86.9Confident144 Ų14451.6 Ų51.667%0.67327%0.267SS*.Hα-helixtrans-76.4-36.6-175-66.1-178.8178.200112.5N132N132-E136 PolarHBondContact O-N 2.67Å
137K86.3Confident87.2Confident84 Ų8447.3 Ų47.337%0.36524%0.244SC..  trans-137.853.4-167.7-70.6-172.8-166.7172.80112.7L133 S139 T140 E141 G142L133-K137 CarbonylContact O-C 3.58Å; L133-K137 WeakPolarHBondContact O-CA 3.33Å; L133-K137 PolarHBondContact O-N 3.49Å; K137-S139 PolarHBondContact O-N 2.89Å; K137-S139 VanDerWaalsContact O-N 3.11Å; K137-T140 WeakPolarHBondContact CB-OG1 3.43Å; K137-T140 PolarHBondContact O-N 2.85Å; K137-T140 VanDerWaalsContact O-N 3.11Å; K137-E141 HydrophobicContact CD-CB 4.37Å; K137-E141 HydrophobicContact CD-CG 4.45Å; K137-E141 VanDerWaalsContact CD-OE2 3.27Å; K137-E141 WeakPolarHBondContact CD-OE2 3.36Å; K137-E141 IonicContact NZ-OE1 2.77Å; K137-E141 IonicContact NZ-OE2 3.38Å; K137-E141 PolarHBondContact NZ-OE2 2.59Å; K137-E141 PolarHBondContact O-N 3.19Å; K137-G142 VanDerWaalsContact O-CA 3.29Å; K137-G142 WeakPolarHBondContact O-CA 3.3Å; K137-G142 PolarHBondContact O-N 3.44Å
138P83.1Confident87.3Confident23 Ų2349.3 Ų49.315%0.14926%0.255CS..THydrogen-bonded Turntrans-60-28.9-176.123.2-33.4000113.4T50 L134T50-P138 VanDerWaalsContact CB-O 3.25Å; T50-P138 WeakPolarHBondContact CB-O 3.3Å; T50-P138 WeakPolarHBondContact CG2-O 3.47Å; T50-P138 PolarHBondContact OG1-O 3.25Å; L134-P138 WeakPolarHBondContact O-CB 3.5Å
139S80.8Confident87.5Confident37 Ų3746.2 Ų46.226%0.25924%0.239SC..THydrogen-bonded Turntrans-90.1-7-178.4-61.30000114.8K137K137-S139 PolarHBondContact O-N 2.89Å; K137-S139 VanDerWaalsContact O-N 3.11Å
140T84.2Confident87.4Confident72 Ų7242.9 Ų42.944%0.44222%0.222SC..THydrogen-bonded Turntrans-124.1-93.7-178.454.70000111.2I17 K137 Y143I17-T140 HydrophobicContact CD1-CG2 3.79Å; K137-T140 WeakPolarHBondContact CB-OG1 3.43Å; K137-T140 PolarHBondContact O-N 2.85Å; K137-T140 VanDerWaalsContact O-N 3.11Å; T140-Y143 WeakPolarHBondContact O-CD1 3.47Å
141E84.4Confident86.9Confident96 Ų9648.1 Ų48.145%0.44924%0.239SC..THydrogen-bonded Turntrans-79.9-20.4-174.2-67.5170.1170.300112.8N124 L133 K137N124-E141 PolarHBondContact ND2-O 2.72Å; L133-E141 HydrophobicContact CD2-CB 4.24Å; K137-E141 HydrophobicContact CD-CB 4.37Å; K137-E141 HydrophobicContact CD-CG 4.45Å; K137-E141 VanDerWaalsContact CD-OE2 3.27Å; K137-E141 WeakPolarHBondContact CD-OE2 3.36Å; K137-E141 IonicContact NZ-OE1 2.77Å; K137-E141 IonicContact NZ-OE2 3.38Å; K137-E141 PolarHBondContact NZ-OE2 2.59Å; K137-E141 PolarHBondContact O-N 3.19Å
142G87.3Confident86.6Confident0 Ų055.2 Ų55.20%027%0.27CS..THydrogen-bonded Turntrans-91.319.6-17900000114.7L133 L134 K137L133-G142 VanDerWaalsContact O-CA 3.3Å; L133-G142 WeakPolarHBondContact O-CA 3.5Å; L134-G142 WeakPolarHBondContact CD1-O 3.25Å; K137-G142 VanDerWaalsContact O-CA 3.29Å; K137-G142 WeakPolarHBondContact O-CA 3.3Å; K137-G142 PolarHBondContact O-N 3.44Å
143Y91.3Very high86.1Confident39 Ų3954.7 Ų54.715%0.15327%0.265CS..  trans-65158.3176.173.4-85.3000111.5V48 E122 N124 T140 V146V48-Y143 HydrophobicContact CG1-CD2 4.09Å; V48-Y143 HydrophobicContact CG1-CG 3.9Å; E122-Y143 PolarHBondContact OE1-OH 3.23Å; N124-Y143 HydrophobicContact CB-CD2 4.1Å; N124-Y143 HydrophobicContact CB-CE1 4.36Å; N124-Y143 HydrophobicContact CB-CE2 3.79Å; N124-Y143 HydrophobicContact CB-CG 4.49Å; N124-Y143 WeakPolarHBondContact CB-O 3.44Å; N124-Y143 PolarHBondContact ND2-O 2.91Å; T140-Y143 WeakPolarHBondContact O-CD1 3.47Å; Y143-V146 HydrophobicContact CD2-CG2 3.97Å; Y143-V146 HydrophobicContact CE2-CG2 3.64Å
144I91.8Very high85.3Confident0 Ų053.5 Ų53.50%026%0.259CS..  trans-98.6-46.8-176.6-63.1176.9000111.3V49 L51 Y69 L99 I112 N124 I127 L134V49-I144 WeakPolarHBondContact O-CB 3.33Å; V49-I144 PolarHBondContact O-N 2.78Å; L51-I144 HydrophobicContact CD2-CD1 3.92Å; L51-I144 HydrophobicContact CG-CD1 3.99Å; Y69-I144 HydrophobicContact CE1-CG2 4.14Å; Y69-I144 PolarHBondContact OH-O 2.81Å; L99-I144 HydrophobicContact CB-CG2 4.48Å; L99-I144 HydrophobicContact CD1-CG2 4.4Å; I112-I144 HydrophobicContact CB-CD1 4.41Å; I112-I144 HydrophobicContact CG1-CD1 4.16Å; I112-I144 HydrophobicContact CG2-CD1 3.7Å; I112-I144 HydrophobicContact CG2-CG2 4.48Å; N124-I144 PolarHBondContact N-O 2.69Å; I127-I144 HydrophobicContact CD1-CG1 4.44Å; L134-I144 HydrophobicContact CD1-CD1 4.04Å; L134-I144 HydrophobicContact CD1-CG1 3.82Å
145A91.9Very high84.7Confident0 Ų060.8 Ų60.80%029%0.291CS..EExtended strand (participates in β ladder)trans-153.5152-177.800000112V49 L99 L120 E122 V123V49-A145 PolarHBondContact N-O 2.8Å; V49-A145 PolarHBondContact O-N 2.9Å; L99-A145 HydrophobicContact CD1-CB 3.85Å; L99-A145 HydrophobicContact CD2-CB 4.14Å; L120-A145 HydrophobicContact CD1-CB 3.83Å; E122-A145 CarbonylContact O-C 3.48Å; E122-A145 WeakPolarHBondContact O-CA 3.29Å; V123-A145 HydrophobicContact CG1-CB 4.27Å
146V92.6Very high84.4Confident21 Ų2160.7 Ų60.713%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-110.8125.9170.7-173.10000109L46 V48 L121 E122 Y143L46-V146 HydrophobicContact CD2-CG1 4.33Å; V48-V146 HydrophobicContact CG2-CG2 4.34Å; L121-V146 HydrophobicContact CB-CB 4.49Å; L121-V146 WeakPolarHBondContact CB-O 3.32Å; L121-V146 HydrophobicContact CD1-CG1 4.29Å; L121-V146 PolarHBondContact N-O 2.85Å; E122-V146 HydrophobicContact CB-CB 4.24Å; E122-V146 HydrophobicContact CB-CG2 4.38Å; E122-V146 PolarHBondContact N-O 2.83Å; E122-V146 PolarHBondContact O-N 3.3Å; Y143-V146 HydrophobicContact CD2-CG2 3.97Å; Y143-V146 HydrophobicContact CE2-CG2 3.64Å
147I92.1Very high84.2Confident0 Ų054.5 Ų54.50%027%0.266CS..EExtended strand (participates in β ladder)trans-123.6137.5-175.2-55.5179.9000108.6C47 V49 L93 L99 S114 I116 R119 L120 P149C47-I147 PolarHBondContact N-O 2.77Å; C47-I147 PolarHBondContact O-N 3.35Å; V49-I147 HydrophobicContact CG2-CD1 3.71Å; V49-I147 HydrophobicContact CG2-CG1 4.3Å; L93-I147 HydrophobicContact CD1-CD1 3.66Å; L93-I147 HydrophobicContact CD1-CG1 4.1Å; L99-I147 HydrophobicContact CD2-CD1 4.5Å; S114-I147 WeakPolarHBondContact OG-CD1 3.5Å; I116-I147 HydrophobicContact CD1-CB 3.9Å; I116-I147 HydrophobicContact CD1-CD1 4.22Å; I116-I147 HydrophobicContact CD1-CG2 3.99Å; I116-I147 HydrophobicContact CG1-CB 4.44Å; I116-I147 HydrophobicContact CG1-CD1 3.98Å; I116-I147 HydrophobicContact CG1-CG2 4.23Å; R119-I147 WeakPolarHBondContact O-CA 3.49Å; L120-I147 HydrophobicContact CD1-CG1 4.23Å; I147-P149 WeakPolarHBondContact O-CD 3.29Å
148L90.9Very high83.9Confident41 Ų4151.7 Ų51.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-104.1108.3169.2-173.784.6000110.1L46 K87 G118 R119 L121L46-L148 HydrophobicContact CD2-CB 4.28Å; L46-L148 HydrophobicContact CD2-CD1 3.56Å; L46-L148 HydrophobicContact CG-CD1 4.36Å; K87-L148 HydrophobicContact CD-CD2 3.59Å; K87-L148 VanDerWaalsContact CE-CD2 3.46Å; G118-L148 CarbonylContact C-O 3.33Å; G118-L148 VanDerWaalsContact CA-O 3.32Å; G118-L148 WeakPolarHBondContact CA-O 3.41Å; R119-L148 PolarHBondContact N-O 2.85Å; R119-L148 PolarHBondContact O-N 2.84Å; L121-L148 HydrophobicContact CD1-CB 4.02Å; L121-L148 HydrophobicContact CD2-CB 3.95Å; L121-L148 HydrophobicContact CG-CB 4.01Å
149P89.9Confident83.9Confident6 Ų657.8 Ų57.84%0.03928%0.282CS..  trans-60.1156.5167.4-19.332.4000111.8R45 I147 I157R45-P149 VanDerWaalsContact O-CD 3.24Å; R45-P149 WeakPolarHBondContact O-CD 3.4Å; I147-P149 WeakPolarHBondContact O-CD 3.29Å; P149-I157 HydrophobicContact CB-CD1 3.88Å; P149-I157 HydrophobicContact CB-CG2 4.5Å; P149-I157 HydrophobicContact CG-CD1 3.45Å; P149-I157 VanDerWaalsContact CG-CD1 3.45Å
150K84.8Confident84Confident94 Ų9460.7 Ų60.741%0.40930%0.295SS..  trans-66.2145166.4-72-176.7-175.5169.40109.2E152 E153 S154K150-E152 VanDerWaalsContact C-N 3.31Å; K150-E152 PolarHBondContact O-N 3.35Å; K150-E153 HydrophobicContact CB-CB 4.23Å; K150-E153 HydrophobicContact CB-CG 4.29Å; K150-E153 CarbonylContact O-C 3.58Å; K150-E153 PolarHBondContact O-N 3.2Å; K150-E153 VanDerWaalsContact O-N 3.11Å; K150-S154 PolarHBondContact O-N 3.3Å
151F77Confident84.2Confident177 Ų17757.7 Ų57.778%0.77628%0.276SS*.THydrogen-bonded Turntrans-57-45.6-177.2-174.5-98.8000112.2E153 S154F151-E153 VanDerWaalsContact C-N 3.32Å; F151-E153 PolarHBondContact O-N 3.4Å; F151-S154 WeakPolarHBondContact O-CB 3.31Å; F151-S154 PolarHBondContact O-N 3.4Å; F151-S154 PolarHBondContact O-OG 2.98Å
152E78.3Confident84.5Confident179 Ų17955.2 Ų55.284%0.83627%0.266SS*.THydrogen-bonded Turntrans-62.8-35.1178-66.5165.9-169.600112.8K150K150-E152 VanDerWaalsContact C-N 3.31Å; K150-E152 PolarHBondContact O-N 3.35Å
153E75.7Confident84.8Confident59 Ų5957.5 Ų57.528%0.27628%0.279SS..THydrogen-bonded Turntrans-92.6-5.6-176.5-63175.7163.400112.7K150 F151 K155 S156 I157K150-E153 HydrophobicContact CB-CB 4.23Å; K150-E153 HydrophobicContact CB-CG 4.29Å; K150-E153 CarbonylContact O-C 3.58Å; K150-E153 PolarHBondContact O-N 3.2Å; K150-E153 VanDerWaalsContact O-N 3.11Å; F151-E153 VanDerWaalsContact C-N 3.32Å; F151-E153 PolarHBondContact O-N 3.4Å; E153-K155 PolarHBondContact O-N 2.93Å; E153-S156 WeakPolarHBondContact CA-OG 3.32Å; E153-S156 PolarHBondContact O-N 2.75Å; E153-S156 PolarHBondContact O-OG 3.44Å; E153-I157 WeakPolarHBondContact O-CG2 3.44Å; E153-I157 PolarHBondContact O-N 2.94Å
154S71.4Confident84.7Confident5 Ų561.4 Ų61.44%0.03529%0.294CS..THydrogen-bonded Turntrans-61-21.6-175.368.30000114.4K150 F151 I157K150-S154 PolarHBondContact O-N 3.3Å; F151-S154 WeakPolarHBondContact O-CB 3.31Å; F151-S154 PolarHBondContact O-N 3.4Å; F151-S154 PolarHBondContact O-OG 2.98Å; S154-I157 WeakPolarHBondContact O-CG1 3.47Å
155K72.9Confident84.6Confident153 Ų15368.6 Ų68.667%0.66533%0.327SS*.THydrogen-bonded Turntrans-88.2-34.5174.8-65.4-177.1179.8-179.50112.6E153 T158E153-K155 PolarHBondContact O-N 2.93Å; K155-T158 PolarHBondContact O-OG1 2.8Å
156S80.4Confident84.6Confident45 Ų4573 Ų7332%0.31535%0.348SS..Hα-helixtrans-79.7-22.7-179.857.40000112.8E153 T158 E159E153-S156 WeakPolarHBondContact CA-OG 3.32Å; E153-S156 PolarHBondContact O-N 2.75Å; E153-S156 PolarHBondContact O-OG 3.44Å; S156-T158 PolarHBondContact O-N 3.44Å; S156-E159 WeakPolarHBondContact O-CB 3.43Å; S156-E159 PolarHBondContact O-N 2.87Å
157I81.4Confident84.5Confident14 Ų1472.6 Ų72.67%0.07235%0.345CS..Hα-helixtrans-62.6-32.7174.455.2156.1000112.5I116 P149 E153 S154 L161I116-I157 HydrophobicContact CG2-CB 4.43Å; P149-I157 HydrophobicContact CB-CD1 3.88Å; P149-I157 HydrophobicContact CB-CG2 4.5Å; P149-I157 HydrophobicContact CG-CD1 3.45Å; P149-I157 VanDerWaalsContact CG-CD1 3.45Å; E153-I157 WeakPolarHBondContact O-CG2 3.44Å; E153-I157 PolarHBondContact O-N 2.94Å; S154-I157 WeakPolarHBondContact O-CG1 3.47Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å
158T79.1Confident84.4Confident25 Ų2576.8 Ų76.815%0.15336%0.364CS..Hα-helixtrans-80.3-19.8-178.949.90000112.5W24 K155 S156 N160 L161W24-T158 HydrophobicContact CD2-CG2 4.04Å; W24-T158 HydrophobicContact CG-CG2 4.48Å; W24-T158 HydrophobicContact CH2-CG2 4.34Å; W24-T158 HydrophobicContact CZ2-CG2 3.7Å; K155-T158 PolarHBondContact O-OG1 2.8Å; S156-T158 PolarHBondContact O-N 3.44Å; T158-N160 PolarHBondContact O-N 3.17Å; T158-L161 PolarHBondContact O-N 3.04Å
159E82.7Confident84.3Confident151 Ų15177.8 Ų77.871%0.70638%0.375SS*.Hα-helixtrans-61.7-26.7176.9-64.8172.517800112.6S156S156-E159 WeakPolarHBondContact O-CB 3.43Å; S156-E159 PolarHBondContact O-N 2.87Å
160N82.7Confident84.2Confident97 Ų9779.5 Ų79.552%0.51939%0.385SS..THydrogen-bonded Turntrans-93.70178.4-72.2-74000112.4R26 T158R26-N160 PolarHBondContact NH1-O 2.85Å; T158-N160 PolarHBondContact O-N 3.17Å
161L89.5Confident84.2Confident9 Ų977 Ų775%0.04738%0.377CS..SBendtrans-109.1153.7-179.1-56.1176.8000109.9W24 Y25 R26 I39 I116 I157 T158W24-L161 HydrophobicContact CB-CB 3.9Å; W24-L161 HydrophobicContact CB-CD1 3.63Å; W24-L161 HydrophobicContact CB-CG 4.35Å; W24-L161 HydrophobicContact CD2-CB 4.34Å; W24-L161 HydrophobicContact CE3-CB 3.96Å; W24-L161 HydrophobicContact CG-CB 4.36Å; W24-L161 HydrophobicContact CG-CD1 4.01Å; Y25-L161 WeakPolarHBondContact O-CA 3.48Å; R26-L161 HydrophobicContact CB-CD2 3.95Å; I39-L161 HydrophobicContact CB-CD1 4.37Å; I39-L161 HydrophobicContact CD1-CD1 4.42Å; I39-L161 HydrophobicContact CD1-CD2 3.89Å; I39-L161 HydrophobicContact CG1-CD1 4.47Å; I116-L161 HydrophobicContact CG2-CD1 3.94Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; T158-L161 PolarHBondContact O-N 3.04Å
162L91.4Very high84.7Confident45 Ų4571.6 Ų71.624%0.23636%0.361CS..BIsolated β-bridgetrans-95.4140.6178.2-56.9173.4000109.2W24 Y25 A27 E166 F167 V170W24-L162 CarbonylContact C-O 3.57Å; W24-L162 WeakPolarHBondContact CA-O 3.38Å; Y25-L162 PolarHBondContact N-O 2.85Å; Y25-L162 PolarHBondContact O-N 2.84Å; A27-L162 HydrophobicContact CB-CD1 3.8Å; L162-E166 HydrophobicContact CB-CB 4.1Å; L162-E166 HydrophobicContact CD2-CB 4.18Å; L162-F167 HydrophobicContact CB-CB 4.31Å; L162-F167 HydrophobicContact CD1-CD2 4.33Å; L162-V170 HydrophobicContact CD1-CG2 4.24Å
163T92.4Very high85Confident47 Ų4770 Ų7029%0.28835%0.352SS..  trans-67.7168.2162.560.90000110.3W24 E165 E166 F167W24-T163 HydrophobicContact CE3-CG2 4.41Å; W24-T163 HydrophobicContact CH2-CG2 4.31Å; W24-T163 HydrophobicContact CZ3-CG2 3.72Å; T163-E165 VanDerWaalsContact C-N 3.31Å; T163-E165 PolarHBondContact O-N 3.34Å; T163-E166 WeakPolarHBondContact CB-OE2 3.27Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.46Å; T163-E166 PolarHBondContact N-OE2 2.77Å; T163-E166 PolarHBondContact O-N 3.17Å; T163-E166 VanDerWaalsContact OG1-CD 3.31Å; T163-E166 VanDerWaalsContact OG1-CG 3.27Å; T163-E166 WeakPolarHBondContact OG1-CG 3.43Å; T163-E166 PolarHBondContact OG1-N 3.03Å; T163-E166 PolarHBondContact OG1-OE2 3.32Å; T163-F167 VanDerWaalsContact O-CB 3.3Å; T163-F167 WeakPolarHBondContact O-CB 3.38Å; T163-F167 PolarHBondContact O-N 3.4Å
164R88.9Confident85.1Confident122 Ų12269 Ų6946%0.4635%0.345SS..Hα-helixtrans-56.5-45.2177.1-177.4171.9-179.2150.28.9112.2Y25 F167 E168Y25-R164 HydrophobicContact CE2-CB 3.98Å; Y25-R164 HydrophobicContact CE2-CG 4.33Å; R164-F167 PolarHBondContact O-N 3.06Å; R164-E168 HydrophobicContact CG-CG 4.41Å; R164-E168 WeakPolarHBondContact CG-OE1 3.37Å; R164-E168 IonicContact CZ-OE1 2.75Å; R164-E168 IonicContact NE-OE1 3.7Å; R164-E168 PolarHBondContact NE-OE1 3.08Å; R164-E168 IonicContact NH2-OE1 3.92Å; R164-E168 WeakPolarHBondContact O-CB 3.46Å; R164-E168 WeakPolarHBondContact O-CG 3.46Å; R164-E168 PolarHBondContact O-N 3.37Å
165E90.8Very high85.2Confident150 Ų15072.6 Ų72.670%0.70137%0.371SS*.Hα-helixtrans-65.1-43.2-178-64.1164.6-170.100112T163 F167 S169T163-E165 VanDerWaalsContact C-N 3.31Å; T163-E165 PolarHBondContact O-N 3.34Å; E165-F167 VanDerWaalsContact C-N 3.34Å; E165-S169 WeakPolarHBondContact O-CB 3.44Å; E165-S169 PolarHBondContact O-N 2.91Å; E165-S169 PolarHBondContact O-OG 2.95Å
166E90.9Very high85Confident94 Ų9472.5 Ų72.544%0.43938%0.377SS..Hα-helixtrans-64.9-41.1175.7-69.9169132.300111.2L162 T163 S169 V170L162-E166 HydrophobicContact CB-CB 4.1Å; L162-E166 HydrophobicContact CD2-CB 4.18Å; T163-E166 WeakPolarHBondContact CB-OE2 3.27Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.46Å; T163-E166 PolarHBondContact N-OE2 2.77Å; T163-E166 PolarHBondContact O-N 3.17Å; T163-E166 VanDerWaalsContact OG1-CD 3.31Å; T163-E166 VanDerWaalsContact OG1-CG 3.27Å; T163-E166 WeakPolarHBondContact OG1-CG 3.43Å; T163-E166 PolarHBondContact OG1-N 3.03Å; T163-E166 PolarHBondContact OG1-OE2 3.32Å; E166-S169 WeakPolarHBondContact O-CB 3.48Å; E166-S169 PolarHBondContact O-N 3.31Å; E166-V170 WeakPolarHBondContact O-CG2 3.48Å; E166-V170 PolarHBondContact O-N 3.18Å
167F90.4Very high84Confident11 Ų1174.5 Ų74.55%0.04839%0.391CS..Hα-helixtrans-64.2-47.9177.2-177.9-111.4000112Y25 A27 D36 A52 T54 L162 T163 R164 E165 S169 V170 V171Y25-F167 AromaticContact CD1-CD1 3.66Å; Y25-F167 HydrophobicContact CD1-CD1 3.66Å; Y25-F167 HydrophobicContact CD1-CD2 4.34Å; Y25-F167 AromaticContact CD1-CE1 3.77Å; Y25-F167 HydrophobicContact CD1-CE1 3.77Å; Y25-F167 HydrophobicContact CD1-CE2 4.44Å; Y25-F167 AromaticContact CD1-CG 3.95Å; Y25-F167 HydrophobicContact CD1-CG 3.95Å; Y25-F167 HydrophobicContact CD1-CZ 4.14Å; Y25-F167 HydrophobicContact CD2-CB 3.94Å; Y25-F167 HydrophobicContact CD2-CD1 4.26Å; Y25-F167 HydrophobicContact CD2-CG 4.15Å; Y25-F167 HydrophobicContact CE1-CD1 4.04Å; Y25-F167 HydrophobicContact CE1-CE1 4.11Å; Y25-F167 HydrophobicContact CG-CB 3.87Å; Y25-F167 AromaticContact CG-CD1 3.78Å; Y25-F167 HydrophobicContact CG-CD1 3.78Å; Y25-F167 HydrophobicContact CG-CD2 4.08Å; Y25-F167 HydrophobicContact CG-CE1 4.31Å; Y25-F167 AromaticContact CG-CG 3.63Å; Y25-F167 HydrophobicContact CG-CG 3.63Å; A27-F167 HydrophobicContact CB-CD2 4.1Å; A27-F167 HydrophobicContact CB-CE2 3.98Å; D36-F167 HydrophobicContact CB-CE2 3.76Å; D36-F167 HydrophobicContact CB-CZ 3.7Å; A52-F167 HydrophobicContact CB-CE1 4.29Å; A52-F167 HydrophobicContact CB-CZ 3.93Å; T54-F167 HydrophobicContact CG2-CE1 4.09Å; T54-F167 HydrophobicContact CG2-CZ 4.18Å; T54-F167 VanDerWaalsContact OG1-CZ 3.28Å; T54-F167 WeakPolarHBondContact OG1-CZ 3.26Å; L162-F167 HydrophobicContact CB-CB 4.31Å; L162-F167 HydrophobicContact CD1-CD2 4.33Å; T163-F167 VanDerWaalsContact O-CB 3.3Å; T163-F167 WeakPolarHBondContact O-CB 3.38Å; T163-F167 PolarHBondContact O-N 3.4Å; R164-F167 PolarHBondContact O-N 3.06Å; E165-F167 VanDerWaalsContact C-N 3.34Å; F167-S169 PolarHBondContact O-N 2.83Å; F167-V170 WeakPolarHBondContact O-CA 3.25Å; F167-V170 WeakPolarHBondContact O-CB 3.48Å; F167-V170 PolarHBondContact O-N 3.37Å; F167-V171 HydrophobicContact CD1-CG2 4.11Å; F167-V171 HydrophobicContact CD2-CG2 4.35Å; F167-V171 HydrophobicContact CE1-CG2 3.76Å; F167-V171 HydrophobicContact CE2-CG2 4.03Å; F167-V171 HydrophobicContact CG-CG2 4.41Å; F167-V171 HydrophobicContact CZ-CG2 3.74Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.27Å; F167-V171 PolarHBondContact O-N 2.77Å
168E89.8Confident82.6Confident89 Ų8980.3 Ų80.342%0.41642%0.417SS..Hα-helixtrans-59-36.4175.7-74.7172.3-174.800111.7R164 V171 S172R164-E168 HydrophobicContact CG-CG 4.41Å; R164-E168 WeakPolarHBondContact CG-OE1 3.37Å; R164-E168 IonicContact CZ-OE1 2.75Å; R164-E168 IonicContact NE-OE1 3.7Å; R164-E168 PolarHBondContact NE-OE1 3.08Å; R164-E168 IonicContact NH2-OE1 3.92Å; R164-E168 WeakPolarHBondContact O-CB 3.46Å; R164-E168 WeakPolarHBondContact O-CG 3.46Å; R164-E168 PolarHBondContact O-N 3.37Å; E168-V171 PolarHBondContact O-N 3.18Å; E168-S172 VanDerWaalsContact O-CB 3.29Å; E168-S172 WeakPolarHBondContact O-CB 3.45Å; E168-S172 PolarHBondContact O-N 3.42Å; E168-S172 PolarHBondContact O-OG 2.94Å
169S89.2Confident80.7Confident62 Ų6284.5 Ų84.543%0.43445%0.445SS..Hα-helixtrans-64.6-39.8173.6-61.80000112.6E165 E166 F167 K173E165-S169 WeakPolarHBondContact O-CB 3.44Å; E165-S169 PolarHBondContact O-N 2.91Å; E165-S169 PolarHBondContact O-OG 2.95Å; E166-S169 WeakPolarHBondContact O-CB 3.48Å; E166-S169 PolarHBondContact O-N 3.31Å; F167-S169 PolarHBondContact O-N 2.83Å; S169-K173 VanDerWaalsContact O-CG 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.32Å; S169-K173 PolarHBondContact O-N 3.35Å
170V87.6Confident78.8Confident42 Ų4287 Ų8726%0.25548%0.475SS..Hα-helixtrans-66.2-47174.7171.30000110.4A27 L162 E166 F167 S172 K173 R174A27-V170 HydrophobicContact CB-CG1 4.31Å; L162-V170 HydrophobicContact CD1-CG2 4.24Å; E166-V170 WeakPolarHBondContact O-CG2 3.48Å; E166-V170 PolarHBondContact O-N 3.18Å; F167-V170 WeakPolarHBondContact O-CA 3.25Å; F167-V170 WeakPolarHBondContact O-CB 3.48Å; F167-V170 PolarHBondContact O-N 3.37Å; V170-S172 PolarHBondContact O-N 3.33Å; V170-K173 PolarHBondContact O-N 2.81Å; V170-R174 WeakPolarHBondContact O-CG 3.39Å; V170-R174 PolarHBondContact O-N 2.99Å; V170-R174 VanDerWaalsContact O-N 3.13Å
171V86.2Confident78.7Confident41 Ų4186.5 Ų86.525%0.24847%0.472CS..Hα-helixtrans-61.6-43.4179.7174.60000111.1T54 F167 E168 K173 R174 S175T54-V171 HydrophobicContact CG2-CG1 3.86Å; T54-V171 HydrophobicContact CG2-CG2 3.79Å; F167-V171 HydrophobicContact CD1-CG2 4.11Å; F167-V171 HydrophobicContact CD2-CG2 4.35Å; F167-V171 HydrophobicContact CE1-CG2 3.76Å; F167-V171 HydrophobicContact CE2-CG2 4.03Å; F167-V171 HydrophobicContact CG-CG2 4.41Å; F167-V171 HydrophobicContact CZ-CG2 3.74Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.27Å; F167-V171 PolarHBondContact O-N 2.77Å; E168-V171 PolarHBondContact O-N 3.18Å; V171-K173 VanDerWaalsContact C-N 3.34Å; V171-K173 PolarHBondContact O-N 3.2Å; V171-R174 WeakPolarHBondContact O-CB 3.41Å; V171-R174 PolarHBondContact O-N 2.88Å; V171-R174 VanDerWaalsContact O-N 3.12Å; V171-S175 PolarHBondContact O-N 3.11Å
172S85.9Confident78.1Confident63 Ų6390.6 Ų90.644%0.44150%0.495SS..Hα-helixtrans-64.6-36177.9-58.70000112.6E168 V170 R174 S175 L176E168-S172 VanDerWaalsContact O-CB 3.29Å; E168-S172 WeakPolarHBondContact O-CB 3.45Å; E168-S172 PolarHBondContact O-N 3.42Å; E168-S172 PolarHBondContact O-OG 2.94Å; V170-S172 PolarHBondContact O-N 3.33Å; S172-R174 VanDerWaalsContact C-N 3.31Å; S172-R174 PolarHBondContact O-N 3Å; S172-S175 PolarHBondContact O-OG 2.89Å; S172-L176 WeakPolarHBondContact O-CD1 3.28Å; S172-L176 WeakPolarHBondContact O-CG 3.14Å; S172-L176 PolarHBondContact O-N 3.06Å
173K85.3Confident77.3Confident147 Ų14793.1 Ų93.164%0.63951%0.509SS*.Hα-helixtrans-66.7-33.7173.8-73.5170.1-176.1176.40112S169 V170 V171 S177S169-K173 VanDerWaalsContact O-CG 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.32Å; S169-K173 PolarHBondContact O-N 3.35Å; V170-K173 PolarHBondContact O-N 2.81Å; V171-K173 VanDerWaalsContact C-N 3.34Å; V171-K173 PolarHBondContact O-N 3.2Å; K173-S177 PolarHBondContact O-N 2.77Å; K173-S177 PolarHBondContact O-OG 3.11Å
174R79.1Confident76.5Confident36 Ų3695.8 Ų95.814%0.13652%0.522CS..Hα-helixtrans-69.2-44.7176.4-67.5178-170.8160.23.5112.2D28 D36 V170 V171 S172 L176 S177 Q178D28-R174 IonicContact OD1-CZ 3.76Å; D28-R174 VanDerWaalsContact OD1-CZ 3.31Å; D28-R174 IonicContact OD1-NE 3.67Å; D28-R174 IonicContact OD1-NH2 3.54Å; D28-R174 PolarHBondContact OD1-NH2 2.8Å; D28-R174 IonicContact OD2-CZ 3.35Å; D28-R174 IonicContact OD2-NE 2.7Å; D28-R174 IonicContact OD2-NH2 2.67Å; D28-R174 PolarHBondContact OD2-NH2 3.04Å; D36-R174 VanDerWaalsContact CG-NH1 3.29Å; D36-R174 IonicContact OD1-CZ 3Å; D36-R174 IonicContact OD1-NH1 2.85Å; D36-R174 PolarHBondContact OD1-NH1 3.35Å; D36-R174 IonicContact OD1-NH2 3.8Å; D36-R174 PolarHBondContact OD1-NH2 3.24Å; D36-R174 IonicContact OD2-CZ 2.84Å; D36-R174 IonicContact OD2-NH1 3.48Å; D36-R174 PolarHBondContact OD2-NH1 3.19Å; V170-R174 WeakPolarHBondContact O-CG 3.39Å; V170-R174 PolarHBondContact O-N 2.99Å; V170-R174 VanDerWaalsContact O-N 3.13Å; V171-R174 WeakPolarHBondContact O-CB 3.41Å; V171-R174 PolarHBondContact O-N 2.88Å; V171-R174 VanDerWaalsContact O-N 3.12Å; S172-R174 VanDerWaalsContact C-N 3.31Å; S172-R174 PolarHBondContact O-N 3Å; R174-L176 PolarHBondContact O-N 2.83Å; R174-S177 WeakPolarHBondContact CA-OG 3.43Å; R174-S177 PolarHBondContact O-N 3.23Å; R174-S177 PolarHBondContact O-OG 3.18Å; R174-Q178 PolarHBondContact O-N 3.44Å
175S72Confident75.7Confident81 Ų8194.2 Ų94.257%0.56653%0.526SS*.Hα-helixtrans-61.9-30.6178.360.50000112.5V171 S172 S177V171-S175 PolarHBondContact O-N 3.11Å; S172-S175 PolarHBondContact O-OG 2.89Å; S175-S177 VanDerWaalsContact C-N 3.34Å
176L68.6Low74.7Confident152 Ų15290.5 Ų90.580%0.79651%0.514SS*.THydrogen-bonded Turntrans-75.1-18.2174.8-70.5166000114.3S172 R174S172-L176 WeakPolarHBondContact O-CD1 3.28Å; S172-L176 WeakPolarHBondContact O-CG 3.14Å; S172-L176 PolarHBondContact O-N 3.06Å; R174-L176 PolarHBondContact O-N 2.83Å
177S60.6Low73.5Confident87 Ų8790.2 Ų90.261%0.60852%0.52SS*.THydrogen-bonded Turntrans-105.9-9.3-17547.30000114.2K173 R174 S175 P179K173-S177 PolarHBondContact O-N 2.77Å; K173-S177 PolarHBondContact O-OG 3.11Å; R174-S177 WeakPolarHBondContact CA-OG 3.43Å; R174-S177 PolarHBondContact O-N 3.23Å; R174-S177 PolarHBondContact O-OG 3.18Å; S175-S177 VanDerWaalsContact C-N 3.34Å; S177-P179 WeakPolarHBondContact O-CD 3.48Å
178Q50.7Low72.2Confident135 Ų13596.3 Ų96.363%0.63156%0.556SS**SBendtrans-88.3112.5166-73.1-173-2600108.8R174R174-Q178 PolarHBondContact O-N 3.44Å
179P39Very low70.7Confident114 Ų11496.9 Ų96.974%0.7457%0.568SS**  trans-65.8151.1169.928-31.7000110.1S177S177-P179 WeakPolarHBondContact O-CD 3.48Å
180P44.8Very low69.1Low203 Ų203100.1 Ų100.1100%1.31858%0.58SS**  trans-61.60178.427.9-35.7000113.4

Retrieved 180 of 180 residues in 82 ms (Link to these results)

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