A0A3Q0KUA7_SCHMA Loading...

Edp1-related

AlphaFold DB , UniProt , Accession A0A3Q0KUA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 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
1M45.1Very low74.4Confident237 Ų237112.7 Ų112.7100%1.16759%0.594SS**  097.70-107.1164.9149.900106.2T3M1-T3 PolarHBondContact O-N 2.72Å
2S58Low75.8Confident102 Ų102112.3 Ų112.371%0.71359%0.593SS**  trans-67.3126171.5-520000107.4D6S2-D6 WeakPolarHBondContact CA-OD2 3.33Å
3T61.5Low77.1Confident74 Ų74107.1 Ų107.145%0.45457%0.571SS.*  trans-72.7154.5-179.260.60000109.6M1 S5 D6 T7M1-T3 PolarHBondContact O-N 2.72Å; T3-S5 PolarHBondContact O-N 3.03Å; T3-S5 VanDerWaalsContact O-N 3.15Å; T3-D6 PolarHBondContact N-OD2 3.23Å; T3-D6 WeakPolarHBondContact O-CB 3.29Å; T3-D6 PolarHBondContact O-N 3.28Å; T3-D6 PolarHBondContact OG1-N 3.36Å; T3-D6 PolarHBondContact OG1-OD1 2.93Å; T3-D6 PolarHBondContact OG1-OD2 3.12Å; T3-D6 VanDerWaalsContact OG1-OD2 3.13Å; T3-T7 PolarHBondContact O-N 2.79Å
4E73.4Confident78.5Confident168 Ų168112 Ų11279%0.78558%0.58SS**Hα-helixtrans-54.6-32.3174.4-163.6169.5-172.300110.9D6 T7 V8E4-D6 PolarHBondContact O-N 3.09Å; E4-T7 PolarHBondContact O-N 2.88Å; E4-T7 PolarHBondContact O-OG1 3.05Å; E4-V8 PolarHBondContact O-N 3.06Å
5S74.8Confident79.6Confident76 Ų76106.1 Ų106.153%0.53155%0.55SS.*Hα-helixtrans-56.6-46.4171.2-53.80000113.5T3 T7 V8 E9T3-S5 PolarHBondContact O-N 3.03Å; T3-S5 VanDerWaalsContact O-N 3.15Å; S5-T7 PolarHBondContact O-N 3.03Å; S5-V8 PolarHBondContact O-N 3.46Å; S5-E9 WeakPolarHBondContact O-CG 3.4Å; S5-E9 PolarHBondContact O-N 3.07Å
6D77.9Confident80.7Confident76 Ų76104.4 Ų104.441%0.40654%0.537SS..Hα-helixtrans-60.9-34.1179.4-57.8-32000111.7S2 T3 E4 R10S2-D6 WeakPolarHBondContact CA-OD2 3.33Å; T3-D6 PolarHBondContact N-OD2 3.23Å; T3-D6 WeakPolarHBondContact O-CB 3.29Å; T3-D6 PolarHBondContact O-N 3.28Å; T3-D6 PolarHBondContact OG1-N 3.36Å; T3-D6 PolarHBondContact OG1-OD1 2.93Å; T3-D6 PolarHBondContact OG1-OD2 3.12Å; T3-D6 VanDerWaalsContact OG1-OD2 3.13Å; E4-D6 PolarHBondContact O-N 3.09Å; D6-R10 WeakPolarHBondContact O-CB 3.26Å; D6-R10 PolarHBondContact O-N 2.98Å; D6-R10 VanDerWaalsContact O-N 3.12Å
7T80.2Confident81.7Confident71 Ų7198.2 Ų98.244%0.43651%0.506SS..Hα-helixtrans-72.4-40.5179.666.40000111.9T3 E4 S5 R10 L11T3-T7 PolarHBondContact O-N 2.79Å; E4-T7 PolarHBondContact O-N 2.88Å; E4-T7 PolarHBondContact O-OG1 3.05Å; S5-T7 PolarHBondContact O-N 3.03Å; T7-R10 PolarHBondContact O-N 3.34Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.34Å; T7-L11 PolarHBondContact O-N 3.17Å
8V82.8Confident82.6Confident76 Ų7694.9 Ų94.946%0.46149%0.489SS..Hα-helixtrans-67.5-42.3177.8175.90000110.8E4 S5 R10 L11 N12E4-V8 PolarHBondContact O-N 3.06Å; S5-V8 PolarHBondContact O-N 3.46Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.31Å; V8-L11 PolarHBondContact O-N 3.38Å; V8-N12 PolarHBondContact O-N 3.24Å; V8-N12 VanDerWaalsContact O-N 3.13Å; V8-N12 PolarHBondContact O-ND2 3.23Å
9E85.9Confident83.4Confident139 Ų13989.9 Ų89.965%0.6546%0.463SS*.Hα-helixtrans-60.2-43.1175.6-73.4-174.1-18000111.5S5 L11 N12 S13S5-E9 WeakPolarHBondContact O-CG 3.4Å; S5-E9 PolarHBondContact O-N 3.07Å; E9-L11 PolarHBondContact O-N 3.36Å; E9-N12 PolarHBondContact O-N 2.86Å; E9-S13 PolarHBondContact O-N 2.85Å
10R87.4Confident84.1Confident152 Ų15288.1 Ų88.157%0.57447%0.467SS*.Hα-helixtrans-61.2-44.6175.3-177.7176.1176159.3-1112.2D6 T7 V8 N12 S13 I28D6-R10 WeakPolarHBondContact O-CB 3.26Å; D6-R10 PolarHBondContact O-N 2.98Å; D6-R10 VanDerWaalsContact O-N 3.12Å; T7-R10 PolarHBondContact O-N 3.34Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.31Å; R10-N12 PolarHBondContact O-N 2.7Å; R10-S13 WeakPolarHBondContact O-CB 3.42Å; R10-S13 PolarHBondContact O-N 3.03Å; R10-S13 PolarHBondContact O-OG 3.46Å; R10-I28 HydrophobicContact CG-CD1 4.04Å
11L90.9Very high84.7Confident69 Ų6986.5 Ų86.536%0.36147%0.473SS..Hα-helixtrans-64.4-29.5-179.8-68.1173.7000112.6T7 V8 E9 T27 G29 L32T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.34Å; T7-L11 PolarHBondContact O-N 3.17Å; V8-L11 PolarHBondContact O-N 3.38Å; E9-L11 PolarHBondContact O-N 3.36Å; L11-T27 WeakPolarHBondContact O-CB 3.38Å; L11-G29 WeakPolarHBondContact O-CA 3.5Å; L11-G29 PolarHBondContact O-N 3.21Å; L11-L32 HydrophobicContact CD2-CD1 3.77Å
12N91.4Very high87.2Confident107 Ų10777.7 Ų77.757%0.57243%0.433SS*.Hα-helixtrans-87.5-9.8177.7-67.8-27.4000113.7V8 E9 R10V8-N12 PolarHBondContact O-N 3.24Å; V8-N12 VanDerWaalsContact O-N 3.13Å; V8-N12 PolarHBondContact O-ND2 3.23Å; E9-N12 PolarHBondContact O-N 2.86Å; R10-N12 PolarHBondContact O-N 2.7Å
13S93.4Very high89.1Confident45 Ų4577.5 Ų77.532%0.31542%0.424SS..  trans-66.8138.3176.870.80000111.6E9 R10 T27 I28E9-S13 PolarHBondContact O-N 2.85Å; R10-S13 WeakPolarHBondContact O-CB 3.42Å; R10-S13 PolarHBondContact O-N 3.03Å; R10-S13 PolarHBondContact O-OG 3.46Å; S13-T27 VanDerWaalsContact O-CA 3.26Å; S13-T27 WeakPolarHBondContact O-CA 3.23Å; S13-I28 PolarHBondContact O-N 2.87Å; S13-I28 VanDerWaalsContact OG-CD1 3.28Å; S13-I28 WeakPolarHBondContact OG-CD1 3.32Å
14Y95.9Very high90.8Very high176 Ų17675.9 Ų75.969%0.6941%0.411SS*.EExtended strand (participates in β ladder)trans-80.5146.6176.1-82.6-98.1000111.3T26 T27Y14-T26 CarbonylContact C-O 3.58Å; Y14-T26 VanDerWaalsContact CA-O 3.3Å; Y14-T26 WeakPolarHBondContact CA-O 3.38Å; Y14-T27 HydrophobicContact CD1-CG2 4.49Å; Y14-T27 HydrophobicContact CD2-CG2 4.23Å; Y14-T27 HydrophobicContact CE1-CG2 4.32Å; Y14-T27 HydrophobicContact CE2-CG2 4.05Å; Y14-T27 HydrophobicContact CG-CG2 4.46Å
15V95.5Very high92Very high23 Ų2373.8 Ų73.814%0.13940%0.396CS..EExtended strand (participates in β ladder)trans-128.5148.2173.3690000110.7T26 L31 F42 V56V15-T26 HydrophobicContact CG1-CG2 4.1Å; V15-T26 PolarHBondContact N-O 2.95Å; V15-T26 PolarHBondContact O-N 2.76Å; V15-L31 HydrophobicContact CG1-CD1 3.42Å; V15-L31 VanDerWaalsContact CG1-CD1 3.42Å; V15-F42 HydrophobicContact CB-CE1 4.46Å; V15-F42 HydrophobicContact CG1-CE1 4.14Å; V15-F42 HydrophobicContact CG2-CE1 3.72Å; V15-F42 HydrophobicContact CG2-CZ 4.35Å; V15-V56 HydrophobicContact CG2-CG2 4.39Å
16K97.5Very high93Very high79 Ų7970.2 Ų70.234%0.34337%0.372SS..EExtended strand (participates in β ladder)trans-99127.2-179.5-52.3-172.1-169.7165.70109.6Y25 D53 W55 V56K16-Y25 HydrophobicContact CB-CE1 4.46Å; K16-Y25 HydrophobicContact CD-CE1 4.1Å; K16-Y25 HydrophobicContact CG-CD1 4.08Å; K16-Y25 HydrophobicContact CG-CE1 3.68Å; K16-D53 PolarHBondContact NZ-O 3.46Å; K16-W55 HydrophobicContact CB-CD2 3.77Å; K16-W55 HydrophobicContact CB-CE3 3.46Å; K16-W55 VanDerWaalsContact CB-CE3 3.46Å; K16-W55 HydrophobicContact CB-CG 4.35Å; K16-W55 HydrophobicContact CB-CH2 4.23Å; K16-W55 HydrophobicContact CB-CZ3 3.7Å; K16-W55 HydrophobicContact CD-CD2 4.19Å; K16-W55 HydrophobicContact CD-CH2 4.47Å; K16-W55 HydrophobicContact CD-CZ2 4.13Å; K16-V56 PolarHBondContact O-N 2.96Å
17L98.1Very high93.9Very high0 Ų068 Ų680%036%0.361CS..EExtended strand (participates in β ladder)trans-120.1129.1179.3-61.2166.8000109.6V19 L23 F24 T26 L31 F42 W55 V56 I58 F65L17-V19 HydrophobicContact CB-CG2 4.38Å; L17-L23 CarbonylContact O-C 3.51Å; L17-L23 WeakPolarHBondContact O-CA 3.23Å; L17-F24 HydrophobicContact CB-CB 4.22Å; L17-F24 PolarHBondContact N-O 3.31Å; L17-F24 PolarHBondContact O-N 3.43Å; L17-T26 HydrophobicContact CD1-CG2 3.96Å; L17-L31 HydrophobicContact CD1-CD1 4.27Å; L17-L31 HydrophobicContact CD1-CD2 4.18Å; L17-L31 HydrophobicContact CD2-CD1 4.4Å; L17-F42 HydrophobicContact CD2-CE2 3.81Å; L17-F42 HydrophobicContact CD2-CZ 3.45Å; L17-F42 VanDerWaalsContact CD2-CZ 3.45Å; L17-W55 VanDerWaalsContact C-CE3 3.48Å; L17-W55 WeakPolarHBondContact O-CZ3 3.28Å; L17-V56 HydrophobicContact CD2-CB 4.06Å; L17-V56 HydrophobicContact CD2-CG1 3.97Å; L17-I58 HydrophobicContact CD2-CD1 4.14Å; L17-F65 HydrophobicContact CD1-CE1 3.83Å; L17-F65 HydrophobicContact CD1-CZ 3.96Å
18N97.9Very high94.6Very high38 Ų3865.7 Ų65.720%0.20335%0.345CS..EExtended strand (participates in β ladder)trans-111.9103.5171-177.8-9.4000108.6G21 L23 W55 V56 L57 I58N18-G21 WeakPolarHBondContact OD1-CA 3.45Å; N18-G21 PolarHBondContact OD1-N 3.37Å; N18-L23 HydrophobicContact CB-CD2 3.9Å; N18-W55 HydrophobicContact CB-CB 4.07Å; N18-W55 HydrophobicContact CB-CD2 4.47Å; N18-W55 HydrophobicContact CB-CE3 4.12Å; N18-W55 HydrophobicContact CB-CG 4.47Å; N18-V56 PolarHBondContact N-O 2.86Å; N18-L57 HydrophobicContact CB-CD2 3.91Å; N18-I58 PolarHBondContact O-N 3.2Å
19V97.9Very high95.2Very high0 Ų062.9 Ų62.90%033%0.332CS..EExtended strand (participates in β ladder)trans-104.995.2-176.1-170.30000108.9L17 G21 C22 F24 I58 R60 G62 F65 F96L17-V19 HydrophobicContact CB-CG2 4.38Å; V19-G21 PolarHBondContact O-N 3.07Å; V19-C22 PolarHBondContact N-O 2.9Å; V19-C22 WeakPolarHBondContact O-CB 3.46Å; V19-C22 PolarHBondContact O-N 2.71Å; V19-F24 HydrophobicContact CB-CD2 4.35Å; V19-F24 HydrophobicContact CB-CE2 4.18Å; V19-F24 HydrophobicContact CG2-CD2 3.98Å; V19-F24 HydrophobicContact CG2-CE2 4.24Å; V19-I58 WeakPolarHBondContact CA-O 3.08Å; V19-I58 HydrophobicContact CB-CB 4.47Å; V19-I58 HydrophobicContact CG1-CB 4.31Å; V19-I58 HydrophobicContact CG1-CG2 4.11Å; V19-I58 HydrophobicContact CG2-CB 4.17Å; V19-I58 HydrophobicContact CG2-CD1 4.11Å; V19-R60 CarbonylContact C-O 3.55Å; V19-R60 HydrophobicContact CG1-CB 4.14Å; V19-G62 VanDerWaalsContact O-CA 3.26Å; V19-G62 WeakPolarHBondContact O-CA 3.41Å; V19-G62 PolarHBondContact O-N 3.4Å; V19-F65 HydrophobicContact CB-CB 4.49Å; V19-F65 HydrophobicContact CB-CG 4.26Å; V19-F65 HydrophobicContact CG1-CB 4.2Å; V19-F65 HydrophobicContact CG1-CD2 4.02Å; V19-F65 HydrophobicContact CG1-CG 4.09Å; V19-F65 HydrophobicContact CG2-CD1 3.75Å; V19-F65 HydrophobicContact CG2-CD2 4Å; V19-F65 HydrophobicContact CG2-CE1 3.82Å; V19-F65 HydrophobicContact CG2-CE2 4.08Å; V19-F65 HydrophobicContact CG2-CG 3.83Å; V19-F65 HydrophobicContact CG2-CZ 3.98Å; V19-F96 HydrophobicContact CG1-CZ 4.45Å
20G96.5Very high95.7Very high53 Ų5356.9 Ų56.955%0.54631%0.305SS..THydrogen-bonded Turntrans55.233.1-179.100000114.2I58 R60G20-I58 PolarHBondContact N-O 2.95Å; G20-R60 WeakPolarHBondContact CA-O 3.5Å; G20-R60 PolarHBondContact N-O 3.31Å; G20-R60 VanDerWaalsContact N-O 3.09Å
21G96.5Very high96.1Very high56 Ų5649.7 Ų49.758%0.57728%0.278SS*.THydrogen-bonded Turntrans95.2-8.1-176.800000114.9N18 V19N18-G21 WeakPolarHBondContact OD1-CA 3.45Å; N18-G21 PolarHBondContact OD1-N 3.37Å; V19-G21 PolarHBondContact O-N 3.07Å
22C97.9Very high96.3Very high51 Ų5149 Ų4935%0.34528%0.275SS..EExtended strand (participates in β ladder)trans-91.4123.2172-60.20000110.5V19 F24V19-C22 PolarHBondContact N-O 2.9Å; V19-C22 WeakPolarHBondContact O-CB 3.46Å; V19-C22 PolarHBondContact O-N 2.71Å; C22-F24 HydrophobicContact CB-CD2 4.38Å; C22-F24 HydrophobicContact CB-CE2 3.49Å; C22-F24 VanDerWaalsContact CB-CE2 3.49Å; C22-F24 HydrophobicContact CB-CZ 4Å; C22-F24 VanDerWaalsContact O-CD2 3.29Å; C22-F24 WeakPolarHBondContact O-CD2 3.31Å; C22-F24 WeakPolarHBondContact O-CE2 3.35Å
23L97.9Very high96.3Very high99 Ų9950.5 Ų50.552%0.51827%0.272SS..EExtended strand (participates in β ladder)trans-91.8129.1-174.7-56.1-176.4000111.1L17 N18 W55L17-L23 CarbonylContact O-C 3.51Å; L17-L23 WeakPolarHBondContact O-CA 3.23Å; N18-L23 HydrophobicContact CB-CD2 3.9Å; L23-W55 HydrophobicContact CB-CH2 3.64Å; L23-W55 HydrophobicContact CB-CZ2 4.48Å; L23-W55 HydrophobicContact CB-CZ3 3.72Å; L23-W55 HydrophobicContact CD1-CH2 3.9Å; L23-W55 HydrophobicContact CD1-CZ2 3.91Å; L23-W55 HydrophobicContact CD2-CD2 4.17Å; L23-W55 HydrophobicContact CD2-CE3 3.88Å; L23-W55 HydrophobicContact CD2-CH2 3.98Å; L23-W55 HydrophobicContact CD2-CZ2 4.22Å; L23-W55 HydrophobicContact CD2-CZ3 3.8Å; L23-W55 HydrophobicContact CG-CH2 4.03Å; L23-W55 HydrophobicContact CG-CZ2 4.42Å; L23-W55 HydrophobicContact CG-CZ3 4.2Å
24F98.2Very high95.7Very high39 Ų3952.1 Ų52.117%0.17130%0.296CS..EExtended strand (participates in β ladder)trans-131148.6178.3-60.1-91.4000111.7L17 V19 C22 F65 L69L17-F24 HydrophobicContact CB-CB 4.22Å; L17-F24 PolarHBondContact N-O 3.31Å; L17-F24 PolarHBondContact O-N 3.43Å; V19-F24 HydrophobicContact CB-CD2 4.35Å; V19-F24 HydrophobicContact CB-CE2 4.18Å; V19-F24 HydrophobicContact CG2-CD2 3.98Å; V19-F24 HydrophobicContact CG2-CE2 4.24Å; C22-F24 HydrophobicContact CB-CD2 4.38Å; C22-F24 HydrophobicContact CB-CE2 3.49Å; C22-F24 VanDerWaalsContact CB-CE2 3.49Å; C22-F24 HydrophobicContact CB-CZ 4Å; C22-F24 VanDerWaalsContact O-CD2 3.29Å; C22-F24 WeakPolarHBondContact O-CD2 3.31Å; C22-F24 WeakPolarHBondContact O-CE2 3.35Å; F24-F65 HydrophobicContact CB-CD1 4.43Å; F24-F65 HydrophobicContact CB-CE1 4.34Å; F24-F65 HydrophobicContact CD1-CD1 4.03Å; F24-F65 AromaticContact CD2-CD1 3.46Å; F24-F65 HydrophobicContact CD2-CD1 3.46Å; F24-F65 VanDerWaalsContact CD2-CD1 3.46Å; F24-F65 HydrophobicContact CD2-CE1 4.05Å; F24-F65 HydrophobicContact CD2-CG 4.35Å; F24-F65 HydrophobicContact CE1-CD1 4.12Å; F24-F65 HydrophobicContact CE2-CB 3.8Å; F24-F65 AromaticContact CE2-CD1 3.55Å; F24-F65 HydrophobicContact CE2-CD1 3.55Å; F24-F65 HydrophobicContact CE2-CG 4.05Å; F24-F65 AromaticContact CG-CD1 3.72Å; F24-F65 HydrophobicContact CG-CD1 3.72Å; F24-F65 HydrophobicContact CG-CE1 4.11Å; F24-F65 HydrophobicContact CZ-CB 3.79Å; F24-F65 AromaticContact CZ-CD1 3.89Å; F24-F65 HydrophobicContact CZ-CD1 3.89Å; F24-F65 HydrophobicContact CZ-CG 4.33Å; F24-L69 HydrophobicContact CB-CD2 4.35Å; F24-L69 HydrophobicContact CD1-CD2 4.32Å
25Y97.5Very high95.4Very high124 Ų12446.8 Ų46.849%0.48630%0.295SS..EExtended strand (participates in β ladder)trans-121.1137.6172.1-65.3-97.2000109.4K16 W55 R73K16-Y25 HydrophobicContact CB-CE1 4.46Å; K16-Y25 HydrophobicContact CD-CE1 4.1Å; K16-Y25 HydrophobicContact CG-CD1 4.08Å; K16-Y25 HydrophobicContact CG-CE1 3.68Å; Y25-W55 HydrophobicContact CD2-CH2 4.5Å; Y25-W55 HydrophobicContact CE1-CH2 4.2Å; Y25-W55 AromaticContact CE2-CH2 3.63Å; Y25-W55 HydrophobicContact CE2-CH2 3.63Å; Y25-W55 HydrophobicContact CE2-CZ3 4.38Å; Y25-W55 AromaticContact CZ-CH2 3.45Å; Y25-W55 VanDerWaalsContact CZ-CH2 3.45Å; Y25-W55 VanDerWaalsContact OH-CH2 3.3Å; Y25-W55 WeakPolarHBondContact OH-CH2 3.47Å; Y25-W55 WeakPolarHBondContact OH-CZ2 3.36Å; Y25-R73 PolarHBondContact O-NH2 3.48Å; Y25-R73 VanDerWaalsContact O-NH2 3.13Å
26T96.9Very high95.3Very high2 Ų246.1 Ų46.11%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-159.7172.7175.8-162.80000110.5Y14 V15 L17 T30 L31 L69 R73Y14-T26 CarbonylContact C-O 3.58Å; Y14-T26 VanDerWaalsContact CA-O 3.3Å; Y14-T26 WeakPolarHBondContact CA-O 3.38Å; V15-T26 HydrophobicContact CG1-CG2 4.1Å; V15-T26 PolarHBondContact N-O 2.95Å; V15-T26 PolarHBondContact O-N 2.76Å; L17-T26 HydrophobicContact CD1-CG2 3.96Å; T26-T30 WeakPolarHBondContact OG1-CB 3.4Å; T26-L31 HydrophobicContact CG2-CD1 3.68Å; T26-L31 HydrophobicContact CG2-CD2 3.77Å; T26-L31 HydrophobicContact CG2-CG 3.62Å; T26-L69 HydrophobicContact CG2-CD1 4.08Å; T26-R73 PolarHBondContact OG1-NH2 3.27Å
27T96.3Very high95.2Very high28 Ų2844.3 Ų44.317%0.17228%0.284CS..EExtended strand (participates in β ladder)trans-88.6153174.964.50000112.1L11 S13 Y14 G29 T30 L31L11-T27 WeakPolarHBondContact O-CB 3.38Å; S13-T27 VanDerWaalsContact O-CA 3.26Å; S13-T27 WeakPolarHBondContact O-CA 3.23Å; Y14-T27 HydrophobicContact CD1-CG2 4.49Å; Y14-T27 HydrophobicContact CD2-CG2 4.23Å; Y14-T27 HydrophobicContact CE1-CG2 4.32Å; Y14-T27 HydrophobicContact CE2-CG2 4.05Å; Y14-T27 HydrophobicContact CG-CG2 4.46Å; T27-G29 PolarHBondContact O-N 3.34Å; T27-T30 WeakPolarHBondContact O-CB 3.33Å; T27-T30 PolarHBondContact O-N 2.93Å; T27-T30 VanDerWaalsContact O-N 3.12Å; T27-T30 PolarHBondContact OG1-N 3.36Å; T27-T30 PolarHBondContact OG1-OG1 2.88Å; T27-T30 VanDerWaalsContact OG1-OG1 3.13Å; T27-L31 PolarHBondContact O-N 3.43Å
28I95.1Very high95.1Very high23 Ų2344.3 Ų44.312%0.11828%0.284CS..Hα-helixtrans-55.9-38.9170.9-64.3-172.6000110.3R10 S13 T30 L31 L32R10-I28 HydrophobicContact CG-CD1 4.04Å; S13-I28 PolarHBondContact O-N 2.87Å; S13-I28 VanDerWaalsContact OG-CD1 3.28Å; S13-I28 WeakPolarHBondContact OG-CD1 3.32Å; I28-T30 VanDerWaalsContact C-N 3.28Å; I28-T30 PolarHBondContact O-N 2.96Å; I28-L31 PolarHBondContact O-N 2.91Å; I28-L31 VanDerWaalsContact O-N 3.08Å; I28-L32 HydrophobicContact CG2-CD1 3.64Å; I28-L32 HydrophobicContact CG2-CG 4Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 3.31Å
29G95.3Very high94.9Very high18 Ų1843.2 Ų43.219%0.18628%0.279CS..Hα-helixtrans-57.4-37177.200000113.3L11 T27 R33L11-G29 WeakPolarHBondContact O-CA 3.5Å; L11-G29 PolarHBondContact O-N 3.21Å; T27-G29 PolarHBondContact O-N 3.34Å; G29-R33 WeakPolarHBondContact O-CG 3.34Å
30T96Very high94.7Very high13 Ų1344.4 Ų44.48%0.0829%0.288CS..Hα-helixtrans-65.9-48.5172.2-59.20000111.2T26 T27 I28 L32 R33 L69 I72 R73T26-T30 WeakPolarHBondContact OG1-CB 3.4Å; T27-T30 WeakPolarHBondContact O-CB 3.33Å; T27-T30 PolarHBondContact O-N 2.93Å; T27-T30 VanDerWaalsContact O-N 3.12Å; T27-T30 PolarHBondContact OG1-N 3.36Å; T27-T30 PolarHBondContact OG1-OG1 2.88Å; T27-T30 VanDerWaalsContact OG1-OG1 3.13Å; I28-T30 VanDerWaalsContact C-N 3.28Å; I28-T30 PolarHBondContact O-N 2.96Å; T30-L32 VanDerWaalsContact C-N 3.28Å; T30-L32 PolarHBondContact O-N 3.3Å; T30-R33 WeakPolarHBondContact O-CB 3.48Å; T30-R33 PolarHBondContact O-N 2.8Å; T30-R33 VanDerWaalsContact O-N 3.1Å; T30-L69 HydrophobicContact CG2-CD1 4.07Å; T30-I72 HydrophobicContact CG2-CB 4.33Å; T30-I72 HydrophobicContact CG2-CG2 3.75Å; T30-I72 WeakPolarHBondContact O-CG2 3.37Å; T30-R73 HydrophobicContact CG2-CG 3.62Å
31L96.1Very high94.5Very high0 Ų043 Ų430%027%0.267CS..Hα-helixtrans-68.3-27-173.9-62174.7000113.4V15 L17 T26 T27 I28 R33 L38 T39 F42 L69V15-L31 HydrophobicContact CG1-CD1 3.42Å; V15-L31 VanDerWaalsContact CG1-CD1 3.42Å; L17-L31 HydrophobicContact CD1-CD1 4.27Å; L17-L31 HydrophobicContact CD1-CD2 4.18Å; L17-L31 HydrophobicContact CD2-CD1 4.4Å; T26-L31 HydrophobicContact CG2-CD1 3.68Å; T26-L31 HydrophobicContact CG2-CD2 3.77Å; T26-L31 HydrophobicContact CG2-CG 3.62Å; T27-L31 PolarHBondContact O-N 3.43Å; I28-L31 PolarHBondContact O-N 2.91Å; I28-L31 VanDerWaalsContact O-N 3.08Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.42Å; L31-L38 HydrophobicContact CD2-CB 4.13Å; L31-L38 HydrophobicContact CD2-CD1 3.88Å; L31-L38 HydrophobicContact CD2-CD2 4.46Å; L31-L38 HydrophobicContact CD2-CG 4.38Å; L31-L38 CarbonylContact O-C 3.5Å; L31-T39 WeakPolarHBondContact O-CA 3.36Å; L31-T39 PolarHBondContact O-N 3.47Å; L31-T39 VanDerWaalsContact O-N 3.11Å; L31-T39 PolarHBondContact O-OG1 2.93Å; L31-F42 HydrophobicContact CB-CB 4.22Å; L31-F42 HydrophobicContact CB-CD2 3.94Å; L31-F42 HydrophobicContact CB-CG 4.08Å; L31-F42 HydrophobicContact CD1-CD1 3.97Å; L31-F42 HydrophobicContact CD1-CD2 3.54Å; L31-F42 HydrophobicContact CD1-CE1 3.95Å; L31-F42 HydrophobicContact CD1-CE2 3.53Å; L31-F42 HydrophobicContact CD1-CG 3.78Å; L31-F42 HydrophobicContact CD1-CZ 3.73Å; L31-F42 HydrophobicContact CG-CD2 4.26Å; L31-L69 HydrophobicContact CD2-CD1 4.25Å
32L94.4Very high94.4Very high56 Ų5641.5 Ų41.529%0.29325%0.245SC..THydrogen-bonded Turntrans-79.9-2.1175.8-67.5-179.4000113.9L11 I28 T30 T39 F42L11-L32 HydrophobicContact CD2-CD1 3.77Å; I28-L32 HydrophobicContact CG2-CD1 3.64Å; I28-L32 HydrophobicContact CG2-CG 4Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 3.31Å; T30-L32 VanDerWaalsContact C-N 3.28Å; T30-L32 PolarHBondContact O-N 3.3Å; L32-T39 HydrophobicContact CD2-CG2 4.22Å; L32-F42 HydrophobicContact CD2-CB 4.08Å
33R91.1Very high94Very high138 Ų13841.1 Ų41.152%0.52124%0.243SC..SBendtrans-78.5147.1175.8-71.2174.3-178.1-168.5-0.7112.4G29 T30 L31 G35 T39 I72 R73G29-R33 WeakPolarHBondContact O-CG 3.34Å; T30-R33 WeakPolarHBondContact O-CB 3.48Å; T30-R33 PolarHBondContact O-N 2.8Å; T30-R33 VanDerWaalsContact O-N 3.1Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.42Å; R33-G35 PolarHBondContact O-N 3.29Å; R33-T39 PolarHBondContact O-OG1 3.08Å; R33-I72 HydrophobicContact CB-CG2 4.05Å; R33-R73 PolarHBondContact NH1-O 3.07Å
34G81Confident93.5Very high79 Ų7939.6 Ų39.681%0.81425%0.251SS*.THydrogen-bonded Turntrans79.23.8160.800000116.9T36G34-T36 VanDerWaalsContact C-N 3.27Å; G34-T36 PolarHBondContact O-N 3.49Å
35G89.2Confident93Very high64 Ų6447.4 Ų47.466%0.6628%0.28SS*.THydrogen-bonded Turntrans62.336.2177.200000113R33 T39R33-G35 PolarHBondContact O-N 3.29Å; G35-T39 PolarHBondContact N-OG1 2.95Å
36T94.9Very high92.6Very high9 Ų945.6 Ų45.66%0.05528%0.276CS..  trans-82.4173.7-17862.50000111G34 L38 T39 A40 I72 F96 V98G34-T36 VanDerWaalsContact C-N 3.27Å; G34-T36 PolarHBondContact O-N 3.49Å; T36-L38 PolarHBondContact O-N 3.09Å; T36-L38 PolarHBondContact OG1-N 2.96Å; T36-T39 PolarHBondContact N-OG1 3.37Å; T36-T39 VanDerWaalsContact N-OG1 3.13Å; T36-T39 VanDerWaalsContact O-CB 3.28Å; T36-T39 WeakPolarHBondContact O-CB 3.33Å; T36-T39 PolarHBondContact O-N 3.13Å; T36-T39 PolarHBondContact OG1-N 2.95Å; T36-T39 PolarHBondContact OG1-OG1 2.94Å; T36-A40 PolarHBondContact O-N 2.95Å; T36-I72 HydrophobicContact CG2-CD1 4.43Å; T36-F96 WeakPolarHBondContact CB-O 3.47Å; T36-V98 HydrophobicContact CG2-CG2 3.96Å
37M94.1Very high92.3Very high40 Ų4054.6 Ų54.620%0.19732%0.319CS..Hα-helixtrans-57.8-37.9169.1-178.1-173.4-83.900110.9T39 A40 M41 Y95 F96M37-T39 VanDerWaalsContact C-N 3.28Å; M37-T39 PolarHBondContact O-N 3.39Å; M37-A40 WeakPolarHBondContact O-CB 3.42Å; M37-A40 PolarHBondContact O-N 2.93Å; M37-M41 WeakPolarHBondContact O-CG 3.45Å; M37-M41 PolarHBondContact O-N 3.36Å; M37-Y95 HydrophobicContact CE-CD1 4.31Å; M37-Y95 HydrophobicContact CE-CD2 4.37Å; M37-Y95 HydrophobicContact CE-CE1 4.03Å; M37-Y95 HydrophobicContact CE-CE2 4.11Å; M37-Y95 HydrophobicContact CE-CG 4.47Å; M37-Y95 WeakPolarHBondContact CE-O 3.41Å; M37-Y95 HydrophobicContact SD-CD1 3.96Å; M37-Y95 HydrophobicContact SD-CE1 3.41Å; M37-Y95 WeakPolarHBondContact SD-CE1 3.48Å; M37-Y95 HydrophobicContact SD-CE2 4.48Å; M37-F96 WeakPolarHBondContact CB-O 3.45Å; M37-F96 PolarHBondContact N-O 3.03Å; M37-F96 HydrophobicContact SD-CD1 4.44Å
38L95.4Very high92.1Very high0 Ų055.1 Ų55.10%032%0.322CS..Hα-helixtrans-61.5-38.1175-63.2169.4000111.1L31 T36 A40 M41 F42 I58 F65 I72 F96L31-L38 HydrophobicContact CD2-CB 4.13Å; L31-L38 HydrophobicContact CD2-CD1 3.88Å; L31-L38 HydrophobicContact CD2-CD2 4.46Å; L31-L38 HydrophobicContact CD2-CG 4.38Å; L31-L38 CarbonylContact O-C 3.5Å; T36-L38 PolarHBondContact O-N 3.09Å; T36-L38 PolarHBondContact OG1-N 2.96Å; L38-A40 VanDerWaalsContact C-N 3.29Å; L38-A40 PolarHBondContact O-N 3.01Å; L38-M41 HydrophobicContact CD2-SD 4.29Å; L38-M41 PolarHBondContact O-N 3.31Å; L38-F42 VanDerWaalsContact O-CD2 3.29Å; L38-F42 WeakPolarHBondContact O-CD2 3.41Å; L38-F42 PolarHBondContact O-N 2.98Å; L38-I58 HydrophobicContact CD2-CD1 3.98Å; L38-F65 HydrophobicContact CD1-CE2 4.12Å; L38-F65 HydrophobicContact CD1-CZ 4.03Å; L38-F65 HydrophobicContact CD2-CE2 4.38Å; L38-F65 HydrophobicContact CD2-CZ 4.3Å; L38-I72 HydrophobicContact CD1-CD1 3.64Å; L38-F96 HydrophobicContact CD1-CD1 4.44Å; L38-F96 HydrophobicContact CD2-CD1 4.07Å; L38-F96 HydrophobicContact CD2-CE1 4.18Å; L38-F96 HydrophobicContact CG-CD1 4.05Å
39T94.8Very high92.1Very high16 Ų1661.9 Ų61.910%0.09835%0.35CS..Hα-helixtrans-60.1-40.3172.9-53.20000111.6L31 L32 R33 G35 T36 M37 S43L31-T39 WeakPolarHBondContact O-CA 3.36Å; L31-T39 PolarHBondContact O-N 3.47Å; L31-T39 VanDerWaalsContact O-N 3.11Å; L31-T39 PolarHBondContact O-OG1 2.93Å; L32-T39 HydrophobicContact CD2-CG2 4.22Å; R33-T39 PolarHBondContact O-OG1 3.08Å; G35-T39 PolarHBondContact N-OG1 2.95Å; T36-T39 PolarHBondContact N-OG1 3.37Å; T36-T39 VanDerWaalsContact N-OG1 3.13Å; T36-T39 VanDerWaalsContact O-CB 3.28Å; T36-T39 WeakPolarHBondContact O-CB 3.33Å; T36-T39 PolarHBondContact O-N 3.13Å; T36-T39 PolarHBondContact OG1-N 2.95Å; T36-T39 PolarHBondContact OG1-OG1 2.94Å; M37-T39 VanDerWaalsContact C-N 3.28Å; M37-T39 PolarHBondContact O-N 3.39Å; T39-S43 WeakPolarHBondContact O-CB 3.47Å; T39-S43 PolarHBondContact O-N 3.29Å; T39-S43 PolarHBondContact O-OG 3.23Å
40A93.3Very high92.1Very high24 Ų2464.9 Ų64.920%0.19837%0.365CS..Hα-helixtrans-67.4-40.9177.200000112.5T36 M37 L38 S43 R45 M46T36-A40 PolarHBondContact O-N 2.95Å; M37-A40 WeakPolarHBondContact O-CB 3.42Å; M37-A40 PolarHBondContact O-N 2.93Å; L38-A40 VanDerWaalsContact C-N 3.29Å; L38-A40 PolarHBondContact O-N 3.01Å; A40-S43 PolarHBondContact O-OG 2.9Å; A40-R45 PolarHBondContact O-N 3.45Å; A40-M46 HydrophobicContact CB-CG 4.02Å; A40-M46 HydrophobicContact CB-SD 3.42Å; A40-M46 WeakPolarHBondContact CB-SD 3.39Å; A40-M46 PolarHBondContact O-N 3.37Å
41M93.2Very high92Very high23 Ų2366.7 Ų66.711%0.11337%0.374CS..Hα-helixtrans-60.7-47.5174.7-66.7179.475.700112.4M37 L38 M46 V48 V56 I58M37-M41 WeakPolarHBondContact O-CG 3.45Å; M37-M41 PolarHBondContact O-N 3.36Å; L38-M41 HydrophobicContact CD2-SD 4.29Å; L38-M41 PolarHBondContact O-N 3.31Å; M41-M46 HydrophobicContact CG-CE 4.17Å; M41-M46 HydrophobicContact CG-SD 4.19Å; M41-V48 HydrophobicContact CB-CG2 3.81Å; M41-V48 HydrophobicContact CE-CG1 4.05Å; M41-V48 HydrophobicContact CE-CG2 3.93Å; M41-V48 HydrophobicContact CG-CG2 4.29Å; M41-V56 HydrophobicContact CE-CG1 4.34Å; M41-I58 HydrophobicContact CE-CD1 4.35Å; M41-I58 HydrophobicContact CE-CG1 4.06Å
42F93.1Very high92Very high25 Ų2575.1 Ų75.111%0.1142%0.419CS..Hα-helixtrans-91.6-6.5-172.8-72.4-83.2000114.6V15 L17 L31 L32 L38 G44 V56V15-F42 HydrophobicContact CB-CE1 4.46Å; V15-F42 HydrophobicContact CG1-CE1 4.14Å; V15-F42 HydrophobicContact CG2-CE1 3.72Å; V15-F42 HydrophobicContact CG2-CZ 4.35Å; L17-F42 HydrophobicContact CD2-CE2 3.81Å; L17-F42 HydrophobicContact CD2-CZ 3.45Å; L17-F42 VanDerWaalsContact CD2-CZ 3.45Å; L31-F42 HydrophobicContact CB-CB 4.22Å; L31-F42 HydrophobicContact CB-CD2 3.94Å; L31-F42 HydrophobicContact CB-CG 4.08Å; L31-F42 HydrophobicContact CD1-CD1 3.97Å; L31-F42 HydrophobicContact CD1-CD2 3.54Å; L31-F42 HydrophobicContact CD1-CE1 3.95Å; L31-F42 HydrophobicContact CD1-CE2 3.53Å; L31-F42 HydrophobicContact CD1-CG 3.78Å; L31-F42 HydrophobicContact CD1-CZ 3.73Å; L31-F42 HydrophobicContact CG-CD2 4.26Å; L32-F42 HydrophobicContact CD2-CB 4.08Å; L38-F42 VanDerWaalsContact O-CD2 3.29Å; L38-F42 WeakPolarHBondContact O-CD2 3.41Å; L38-F42 PolarHBondContact O-N 2.98Å; F42-G44 VanDerWaalsContact C-N 3.32Å; F42-V56 HydrophobicContact CE1-CG2 4.08Å; F42-V56 HydrophobicContact CE2-CG1 4.47Å; F42-V56 HydrophobicContact CZ-CB 4.14Å; F42-V56 HydrophobicContact CZ-CG1 3.82Å; F42-V56 HydrophobicContact CZ-CG2 3.97Å
43S90.5Very high92.1Very high44 Ų4478 Ų7831%0.30844%0.435SS..THydrogen-bonded Turntrans-85.7-2.5170.758.10000113.5T39 A40 R45T39-S43 WeakPolarHBondContact O-CB 3.47Å; T39-S43 PolarHBondContact O-N 3.29Å; T39-S43 PolarHBondContact O-OG 3.23Å; A40-S43 PolarHBondContact O-OG 2.9Å; S43-R45 VanDerWaalsContact C-N 3.32Å; S43-R45 WeakPolarHBondContact OG-CD 3.38Å; S43-R45 WeakPolarHBondContact OG-CG 3.3Å
44G87.2Confident92.3Very high66 Ų6673 Ų7368%0.6843%0.426SS*.THydrogen-bonded Turntrans7912.6-176.600000114F42F42-G44 VanDerWaalsContact C-N 3.32Å
45R87.9Confident93Very high204 Ų20470.5 Ų70.577%0.7739%0.392SS*.SBendtrans-85.8-12.9177.4-63.8178-172.31633.2113.1A40 S43A40-R45 PolarHBondContact O-N 3.45Å; S43-R45 VanDerWaalsContact C-N 3.32Å; S43-R45 WeakPolarHBondContact OG-CD 3.38Å; S43-R45 WeakPolarHBondContact OG-CG 3.3Å
46M89.3Confident93.4Very high85 Ų8567.9 Ų67.942%0.41936%0.364SS..SBendtrans-130.8144.3177.2-65.9175.159.300108.8A40 M41A40-M46 HydrophobicContact CB-CG 4.02Å; A40-M46 HydrophobicContact CB-SD 3.42Å; A40-M46 WeakPolarHBondContact CB-SD 3.39Å; A40-M46 PolarHBondContact O-N 3.37Å; M41-M46 HydrophobicContact CG-CE 4.17Å; M41-M46 HydrophobicContact CG-SD 4.19Å
47E89.5Confident93.5Very high192 Ų19270.9 Ų70.990%0.89738%0.379SS*.  trans-70.8137.8170.1-170.4178.7177.700109.6
48V92.6Very high93.6Very high39 Ų3969.4 Ų69.424%0.23637%0.371CS..  trans-126.2131.9-177.8179.80000108M41 V56M41-V48 HydrophobicContact CB-CG2 3.81Å; M41-V48 HydrophobicContact CE-CG1 4.05Å; M41-V48 HydrophobicContact CE-CG2 3.93Å; M41-V48 HydrophobicContact CG-CG2 4.29Å; V48-V56 HydrophobicContact CG1-CB 4.02Å; V48-V56 HydrophobicContact CG1-CG1 3.21Å; V48-V56 HydrophobicContact CG1-CG2 3.82Å
49K94.4Very high93.7Very high165 Ų16576.6 Ų76.672%0.71741%0.41SS*.  trans-81.9130.7173.5-68-175179.3-179.80109.5L57K49-L57 HydrophobicContact CB-CB 4.46Å; K49-L57 PolarHBondContact O-N 3.34Å
50T95.3Very high93.8Very high80 Ų8079.5 Ų79.549%0.49142%0.419SS..BIsolated β-bridgetrans-125.2138.3176.2-48.60000108.3G54 W55T50-G54 VanDerWaalsContact CG2-C 3.49Å; T50-W55 VanDerWaalsContact CA-O 3.24Å; T50-W55 WeakPolarHBondContact CA-O 3.48Å
51D95.6Very high93.9Very high51 Ų5181.2 Ų81.227%0.27343%0.43SS..  trans-81.9177.1172.268.613.2000112.4D53 G54 W55 L57D51-D53 PolarHBondContact O-N 3.08Å; D51-D53 PolarHBondContact OD1-N 3.1Å; D51-D53 VanDerWaalsContact OD1-N 3.08Å; D51-G54 PolarHBondContact O-N 3.05Å; D51-G54 VanDerWaalsContact O-N 3.13Å; D51-G54 PolarHBondContact OD1-N 3Å; D51-W55 PolarHBondContact N-O 2.95Å; D51-W55 WeakPolarHBondContact OD1-CB 3.44Å; D51-W55 PolarHBondContact OD1-N 3.22Å; D51-W55 WeakPolarHBondContact OD2-CB 3.47Å; D51-L57 HydrophobicContact CB-CD1 4.47Å; D51-L57 HydrophobicContact CB-CD2 4.42Å
52D95.8Very high94.1Very high178 Ų17880.3 Ų80.395%0.95243%0.427SS*.THydrogen-bonded Turntrans-64-22-179.1-62.9-30.2000113
53D95.7Very high94.3Very high117 Ų11784.6 Ų84.663%0.62645%0.445SS*.THydrogen-bonded Turntrans-89.2-2.2179-74.9-36.7000113.4K16 D51K16-D53 PolarHBondContact NZ-O 3.46Å; D51-D53 PolarHBondContact O-N 3.08Å; D51-D53 PolarHBondContact OD1-N 3.1Å; D51-D53 VanDerWaalsContact OD1-N 3.08Å
54G94.8Very high94.7Very high33 Ų3383.1 Ų83.134%0.3443%0.433SS..  trans85.716.1178.800000114.8T50 D51T50-G54 VanDerWaalsContact CG2-C 3.49Å; D51-G54 PolarHBondContact O-N 3.05Å; D51-G54 VanDerWaalsContact O-N 3.13Å; D51-G54 PolarHBondContact OD1-N 3Å
55W97.4Very high95.2Very high26 Ų2680 Ų8010%0.09840%0.401CS..EExtended strand (participates in β ladder)trans-79.5124.1173.2-63.894000111.2K16 L17 N18 L23 Y25 T50 D51 L57K16-W55 HydrophobicContact CB-CD2 3.77Å; K16-W55 HydrophobicContact CB-CE3 3.46Å; K16-W55 VanDerWaalsContact CB-CE3 3.46Å; K16-W55 HydrophobicContact CB-CG 4.35Å; K16-W55 HydrophobicContact CB-CH2 4.23Å; K16-W55 HydrophobicContact CB-CZ3 3.7Å; K16-W55 HydrophobicContact CD-CD2 4.19Å; K16-W55 HydrophobicContact CD-CH2 4.47Å; K16-W55 HydrophobicContact CD-CZ2 4.13Å; L17-W55 VanDerWaalsContact C-CE3 3.48Å; L17-W55 WeakPolarHBondContact O-CZ3 3.28Å; N18-W55 HydrophobicContact CB-CB 4.07Å; N18-W55 HydrophobicContact CB-CD2 4.47Å; N18-W55 HydrophobicContact CB-CE3 4.12Å; N18-W55 HydrophobicContact CB-CG 4.47Å; L23-W55 HydrophobicContact CB-CH2 3.64Å; L23-W55 HydrophobicContact CB-CZ2 4.48Å; L23-W55 HydrophobicContact CB-CZ3 3.72Å; L23-W55 HydrophobicContact CD1-CH2 3.9Å; L23-W55 HydrophobicContact CD1-CZ2 3.91Å; L23-W55 HydrophobicContact CD2-CD2 4.17Å; L23-W55 HydrophobicContact CD2-CE3 3.88Å; L23-W55 HydrophobicContact CD2-CH2 3.98Å; L23-W55 HydrophobicContact CD2-CZ2 4.22Å; L23-W55 HydrophobicContact CD2-CZ3 3.8Å; L23-W55 HydrophobicContact CG-CH2 4.03Å; L23-W55 HydrophobicContact CG-CZ2 4.42Å; L23-W55 HydrophobicContact CG-CZ3 4.2Å; Y25-W55 HydrophobicContact CD2-CH2 4.5Å; Y25-W55 HydrophobicContact CE1-CH2 4.2Å; Y25-W55 AromaticContact CE2-CH2 3.63Å; Y25-W55 HydrophobicContact CE2-CH2 3.63Å; Y25-W55 HydrophobicContact CE2-CZ3 4.38Å; Y25-W55 AromaticContact CZ-CH2 3.45Å; Y25-W55 VanDerWaalsContact CZ-CH2 3.45Å; Y25-W55 VanDerWaalsContact OH-CH2 3.3Å; Y25-W55 WeakPolarHBondContact OH-CH2 3.47Å; Y25-W55 WeakPolarHBondContact OH-CZ2 3.36Å; T50-W55 VanDerWaalsContact CA-O 3.24Å; T50-W55 WeakPolarHBondContact CA-O 3.48Å; D51-W55 PolarHBondContact N-O 2.95Å; D51-W55 WeakPolarHBondContact OD1-CB 3.44Å; D51-W55 PolarHBondContact OD1-N 3.22Å; D51-W55 WeakPolarHBondContact OD2-CB 3.47Å; W55-L57 HydrophobicContact CB-CD2 4.17Å; W55-L57 PolarHBondContact O-N 2.85Å
56V96.7Very high95.6Very high9 Ų971.3 Ų71.36%0.05538%0.375CS..EExtended strand (participates in β ladder)trans-73.1119.7166.9163.80000109.2V15 K16 L17 N18 M41 F42 V48 I58V15-V56 HydrophobicContact CG2-CG2 4.39Å; K16-V56 PolarHBondContact O-N 2.96Å; L17-V56 HydrophobicContact CD2-CB 4.06Å; L17-V56 HydrophobicContact CD2-CG1 3.97Å; N18-V56 PolarHBondContact N-O 2.86Å; M41-V56 HydrophobicContact CE-CG1 4.34Å; F42-V56 HydrophobicContact CE1-CG2 4.08Å; F42-V56 HydrophobicContact CE2-CG1 4.47Å; F42-V56 HydrophobicContact CZ-CB 4.14Å; F42-V56 HydrophobicContact CZ-CG1 3.82Å; F42-V56 HydrophobicContact CZ-CG2 3.97Å; V48-V56 HydrophobicContact CG1-CB 4.02Å; V48-V56 HydrophobicContact CG1-CG1 3.21Å; V48-V56 HydrophobicContact CG1-CG2 3.82Å; V56-I58 HydrophobicContact CG1-CG1 4.36Å
57L97.1Very high96Very high71 Ų7168.8 Ų68.837%0.37237%0.365SS..EExtended strand (participates in β ladder)trans-90.1123.9-174.7-52.2-176.9000110.9N18 K49 D51 W55N18-L57 HydrophobicContact CB-CD2 3.91Å; K49-L57 HydrophobicContact CB-CB 4.46Å; K49-L57 PolarHBondContact O-N 3.34Å; D51-L57 HydrophobicContact CB-CD1 4.47Å; D51-L57 HydrophobicContact CB-CD2 4.42Å; W55-L57 HydrophobicContact CB-CD2 4.17Å; W55-L57 PolarHBondContact O-N 2.85Å
58I96.6Very high96.4Very high9 Ų959.7 Ų59.75%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-121.6115.2176.3-60.6176.7000108.5L17 N18 V19 G20 L38 M41 V56 R60 F96L17-I58 HydrophobicContact CD2-CD1 4.14Å; N18-I58 PolarHBondContact O-N 3.2Å; V19-I58 WeakPolarHBondContact CA-O 3.08Å; V19-I58 HydrophobicContact CB-CB 4.47Å; V19-I58 HydrophobicContact CG1-CB 4.31Å; V19-I58 HydrophobicContact CG1-CG2 4.11Å; V19-I58 HydrophobicContact CG2-CB 4.17Å; V19-I58 HydrophobicContact CG2-CD1 4.11Å; G20-I58 PolarHBondContact N-O 2.95Å; L38-I58 HydrophobicContact CD2-CD1 3.98Å; M41-I58 HydrophobicContact CE-CD1 4.35Å; M41-I58 HydrophobicContact CE-CG1 4.06Å; V56-I58 HydrophobicContact CG1-CG1 4.36Å; I58-R60 HydrophobicContact CG2-CB 4.01Å; I58-R60 HydrophobicContact CG2-CG 3.89Å; I58-R60 PolarHBondContact O-N 3.07Å; I58-F96 HydrophobicContact CD1-CE1 4.42Å; I58-F96 HydrophobicContact CG2-CE1 3.93Å; I58-F96 HydrophobicContact CG2-CZ 3.92Å
59D96.4Very high96.6Very high152 Ų15257.9 Ų57.981%0.81331%0.311SS*.  trans-8166.8179.1-172.922.3000111.4
60R96.9Very high96.7Very high76 Ų7653.1 Ų53.129%0.28729%0.293SS..SBendtrans-142.4164.4176.7-66.2-57.1-63.5175.82.3110.9V19 G20 I58 G62 E92 Y95 F96V19-R60 CarbonylContact C-O 3.55Å; V19-R60 HydrophobicContact CG1-CB 4.14Å; G20-R60 WeakPolarHBondContact CA-O 3.5Å; G20-R60 PolarHBondContact N-O 3.31Å; G20-R60 VanDerWaalsContact N-O 3.09Å; I58-R60 HydrophobicContact CG2-CB 4.01Å; I58-R60 HydrophobicContact CG2-CG 3.89Å; I58-R60 PolarHBondContact O-N 3.07Å; R60-G62 PolarHBondContact O-N 3.26Å; R60-E92 IonicContact CZ-OE1 3.56Å; R60-E92 IonicContact CZ-OE2 3.55Å; R60-E92 IonicContact NE-OE1 3.64Å; R60-E92 IonicContact NE-OE2 2.93Å; R60-E92 PolarHBondContact NE-OE2 2.93Å; R60-E92 IonicContact NH2-OE1 2.75Å; R60-E92 PolarHBondContact NH2-OE1 2.82Å; R60-E92 IonicContact NH2-OE2 3.29Å; R60-E92 PolarHBondContact NH2-OE2 2.88Å; R60-Y95 VanDerWaalsContact CD-CZ 3.47Å; R60-Y95 HydrophobicContact CG-CD1 3.61Å; R60-Y95 HydrophobicContact CG-CE1 3.25Å; R60-Y95 HydrophobicContact CG-CE2 4.27Å; R60-Y95 HydrophobicContact CG-CG 4.27Å; R60-F96 HydrophobicContact CB-CE2 4.43Å; R60-F96 HydrophobicContact CB-CZ 4.04Å; R60-F96 HydrophobicContact CG-CE2 4.45Å; R60-F96 HydrophobicContact CG-CZ 3.97Å
61S96.6Very high96.8Very high60 Ų6051.8 Ų51.842%0.4228%0.28SS..  trans-66.3121.2174.1-178.60000111.1K63S61-K63 PolarHBondContact O-N 3.44Å; S61-K63 WeakPolarHBondContact OG-CB 3.45Å; S61-K63 PolarHBondContact OG-N 3Å
62G97.1Very high96.9Very high5 Ų550 Ų505%0.05227%0.27CS..G310 helixtrans-74-10.9174.900000114.8V19 R60 H64 F65V19-G62 VanDerWaalsContact O-CA 3.26Å; V19-G62 WeakPolarHBondContact O-CA 3.41Å; V19-G62 PolarHBondContact O-N 3.4Å; R60-G62 PolarHBondContact O-N 3.26Å; G62-H64 VanDerWaalsContact C-N 3.3Å; G62-H64 PolarHBondContact O-N 3.34Å; G62-F65 PolarHBondContact O-N 2.92Å; G62-F65 VanDerWaalsContact O-N 3.16Å
63K97.4Very high96.8Very high114 Ų11445.4 Ų45.450%0.49624%0.239SC..G310 helixtrans-50.8-46.4-174.1-178.3-177.3175.3-172.30113.1S61 E88S61-K63 PolarHBondContact O-N 3.44Å; S61-K63 WeakPolarHBondContact OG-CB 3.45Å; S61-K63 PolarHBondContact OG-N 3Å; K63-E88 WeakPolarHBondContact CE-OE2 3.41Å; K63-E88 IonicContact NZ-OE1 3.39Å; K63-E88 IonicContact NZ-OE2 2.86Å; K63-E88 PolarHBondContact NZ-OE2 3.21Å
64H97.4Very high96.8Very high13 Ų1345.5 Ų45.56%0.0624%0.24CC..G310 helixtrans-104.20.6-175.1-68.7-58.9000113.5G62 G66 T67 I68 E88 L89G62-H64 VanDerWaalsContact C-N 3.3Å; G62-H64 PolarHBondContact O-N 3.34Å; H64-G66 VanDerWaalsContact C-N 3.26Å; H64-G66 PolarHBondContact O-N 2.79Å; H64-T67 WeakPolarHBondContact O-CB 3.09Å; H64-T67 PolarHBondContact O-N 2.8Å; H64-T67 VanDerWaalsContact O-N 3.13Å; H64-I68 PolarHBondContact O-N 3.14Å; H64-E88 IonicContact CD2-OE2 3.49Å; H64-E88 IonicContact CE1-OE2 3.29Å; H64-E88 WeakPolarHBondContact NE2-CB 3.49Å; H64-E88 IonicContact NE2-OE2 3.8Å; H64-E88 PolarHBondContact NE2-OE2 3.12Å; H64-L89 HydrophobicContact CB-CB 4.49Å; H64-L89 HydrophobicContact CB-CD1 3.83Å
65F97.9Very high96.8Very high0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-66.4-30.6-174.4-169.6-97.8000112.4L17 V19 F24 L38 G62 T67 I68 L69 F96L17-F65 HydrophobicContact CD1-CE1 3.83Å; L17-F65 HydrophobicContact CD1-CZ 3.96Å; V19-F65 HydrophobicContact CB-CB 4.49Å; V19-F65 HydrophobicContact CB-CG 4.26Å; V19-F65 HydrophobicContact CG1-CB 4.2Å; V19-F65 HydrophobicContact CG1-CD2 4.02Å; V19-F65 HydrophobicContact CG1-CG 4.09Å; V19-F65 HydrophobicContact CG2-CD1 3.75Å; V19-F65 HydrophobicContact CG2-CD2 4Å; V19-F65 HydrophobicContact CG2-CE1 3.82Å; V19-F65 HydrophobicContact CG2-CE2 4.08Å; V19-F65 HydrophobicContact CG2-CG 3.83Å; V19-F65 HydrophobicContact CG2-CZ 3.98Å; F24-F65 HydrophobicContact CB-CD1 4.43Å; F24-F65 HydrophobicContact CB-CE1 4.34Å; F24-F65 HydrophobicContact CD1-CD1 4.03Å; F24-F65 AromaticContact CD2-CD1 3.46Å; F24-F65 HydrophobicContact CD2-CD1 3.46Å; F24-F65 VanDerWaalsContact CD2-CD1 3.46Å; F24-F65 HydrophobicContact CD2-CE1 4.05Å; F24-F65 HydrophobicContact CD2-CG 4.35Å; F24-F65 HydrophobicContact CE1-CD1 4.12Å; F24-F65 HydrophobicContact CE2-CB 3.8Å; F24-F65 AromaticContact CE2-CD1 3.55Å; F24-F65 HydrophobicContact CE2-CD1 3.55Å; F24-F65 HydrophobicContact CE2-CG 4.05Å; F24-F65 AromaticContact CG-CD1 3.72Å; F24-F65 HydrophobicContact CG-CD1 3.72Å; F24-F65 HydrophobicContact CG-CE1 4.11Å; F24-F65 HydrophobicContact CZ-CB 3.79Å; F24-F65 AromaticContact CZ-CD1 3.89Å; F24-F65 HydrophobicContact CZ-CD1 3.89Å; F24-F65 HydrophobicContact CZ-CG 4.33Å; L38-F65 HydrophobicContact CD1-CE2 4.12Å; L38-F65 HydrophobicContact CD1-CZ 4.03Å; L38-F65 HydrophobicContact CD2-CE2 4.38Å; L38-F65 HydrophobicContact CD2-CZ 4.3Å; G62-F65 PolarHBondContact O-N 2.92Å; G62-F65 VanDerWaalsContact O-N 3.16Å; F65-T67 VanDerWaalsContact C-N 3.32Å; F65-T67 PolarHBondContact O-N 3.44Å; F65-I68 PolarHBondContact O-N 2.87Å; F65-L69 HydrophobicContact CE1-CB 4.43Å; F65-L69 HydrophobicContact CE1-CD2 4.33Å; F65-L69 VanDerWaalsContact O-CB 3.32Å; F65-L69 WeakPolarHBondContact O-CB 3.27Å; F65-L69 PolarHBondContact O-N 3.43Å; F65-F96 HydrophobicContact CD2-CD2 4.4Å; F65-F96 HydrophobicContact CD2-CE1 4.28Å; F65-F96 AromaticContact CD2-CE2 3.72Å; F65-F96 HydrophobicContact CD2-CE2 3.72Å; F65-F96 AromaticContact CD2-CZ 3.64Å; F65-F96 HydrophobicContact CD2-CZ 3.64Å; F65-F96 HydrophobicContact CE2-CD1 4.3Å; F65-F96 AromaticContact CE2-CE1 3.78Å; F65-F96 HydrophobicContact CE2-CE1 3.78Å; F65-F96 HydrophobicContact CE2-CE2 4.02Å; F65-F96 AromaticContact CE2-CZ 3.62Å; F65-F96 HydrophobicContact CE2-CZ 3.62Å
66G97.3Very high96.6Very high22 Ų2248.7 Ų48.723%0.22727%0.269CS..Hα-helixtrans-57.3-43.6172.400000112.7H64 L69 N70H64-G66 VanDerWaalsContact C-N 3.26Å; H64-G66 PolarHBondContact O-N 2.79Å; G66-L69 PolarHBondContact O-N 3.26Å; G66-N70 WeakPolarHBondContact O-CB 3.43Å; G66-N70 VanDerWaalsContact O-CG 3.28Å; G66-N70 PolarHBondContact O-N 3.16Å
67T97.6Very high96.5Very high33 Ų3349.3 Ų49.320%0.20227%0.274CS..Hα-helixtrans-65.9-42.8177.4-52.40000111.5H64 F65 L69 N70 Y71 A77 L89H64-T67 WeakPolarHBondContact O-CB 3.09Å; H64-T67 PolarHBondContact O-N 2.8Å; H64-T67 VanDerWaalsContact O-N 3.13Å; F65-T67 VanDerWaalsContact C-N 3.32Å; F65-T67 PolarHBondContact O-N 3.44Å; T67-L69 VanDerWaalsContact C-N 3.33Å; T67-L69 PolarHBondContact O-N 3.46Å; T67-N70 PolarHBondContact O-N 2.69Å; T67-Y71 WeakPolarHBondContact O-CB 3.43Å; T67-Y71 PolarHBondContact O-N 2.89Å; T67-A77 HydrophobicContact CG2-CB 3.73Å; T67-L89 HydrophobicContact CG2-CD1 3.98Å; T67-L89 HydrophobicContact CG2-CD2 3.9Å
68I97.5Very high96.5Very high0 Ų051.3 Ų51.30%029%0.292CS..Hα-helixtrans-59-46.4174.3-73.3157000110.9H64 F65 Y71 I72 L89 E92 F96 V98 L101H64-I68 PolarHBondContact O-N 3.14Å; F65-I68 PolarHBondContact O-N 2.87Å; I68-Y71 WeakPolarHBondContact O-CB 3.32Å; I68-Y71 PolarHBondContact O-N 3Å; I68-I72 HydrophobicContact CG2-CD1 4.04Å; I68-I72 WeakPolarHBondContact O-CG1 3.12Å; I68-I72 PolarHBondContact O-N 3.29Å; I68-I72 VanDerWaalsContact O-N 3.07Å; I68-L89 HydrophobicContact CG1-CD1 4.22Å; I68-E92 HydrophobicContact CD1-CB 3.54Å; I68-F96 HydrophobicContact CD1-CD2 3.61Å; I68-F96 HydrophobicContact CD1-CE2 4.01Å; I68-F96 HydrophobicContact CG2-CD2 4.47Å; I68-V98 HydrophobicContact CG2-CG2 4.01Å; I68-L101 HydrophobicContact CB-CD2 4.48Å; I68-L101 HydrophobicContact CG1-CD2 3.84Å
69L97.2Very high96.5Very high2 Ų253.4 Ų53.41%0.0130%0.303CS..Hα-helixtrans-66.5-40.9-178.2-17258.7000111.7F24 T26 T30 L31 F65 G66 T67 I72 R73F24-L69 HydrophobicContact CB-CD2 4.35Å; F24-L69 HydrophobicContact CD1-CD2 4.32Å; T26-L69 HydrophobicContact CG2-CD1 4.08Å; T30-L69 HydrophobicContact CG2-CD1 4.07Å; L31-L69 HydrophobicContact CD2-CD1 4.25Å; F65-L69 HydrophobicContact CE1-CB 4.43Å; F65-L69 HydrophobicContact CE1-CD2 4.33Å; F65-L69 VanDerWaalsContact O-CB 3.32Å; F65-L69 WeakPolarHBondContact O-CB 3.27Å; F65-L69 PolarHBondContact O-N 3.43Å; G66-L69 PolarHBondContact O-N 3.26Å; T67-L69 VanDerWaalsContact C-N 3.33Å; T67-L69 PolarHBondContact O-N 3.46Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-R73 WeakPolarHBondContact O-CG 3.32Å; L69-R73 PolarHBondContact O-N 2.76Å
70N97Very high96.4Very high64 Ų6447.3 Ų47.334%0.34227%0.272SS..Hα-helixtrans-63.7-40.7173.7-71-12.8000111.8G66 T67 I72 R73 D74G66-N70 WeakPolarHBondContact O-CB 3.43Å; G66-N70 VanDerWaalsContact O-CG 3.28Å; G66-N70 PolarHBondContact O-N 3.16Å; T67-N70 PolarHBondContact O-N 2.69Å; N70-I72 VanDerWaalsContact C-N 3.27Å; N70-I72 PolarHBondContact O-N 2.92Å; N70-R73 WeakPolarHBondContact O-CB 3.48Å; N70-R73 PolarHBondContact O-N 3.36Å; N70-R73 VanDerWaalsContact O-N 3.07Å; N70-R73 PolarHBondContact OD1-NH1 3.47Å; N70-D74 PolarHBondContact O-N 3.32Å
71Y97.4Very high96.1Very high52 Ų5252.2 Ų52.220%0.20430%0.298CS..Hα-helixtrans-58.5-39.9174.2-171.9-86.6000112.1T67 I68 R73 G75 A77 V98 G100 L101T67-Y71 WeakPolarHBondContact O-CB 3.43Å; T67-Y71 PolarHBondContact O-N 2.89Å; I68-Y71 WeakPolarHBondContact O-CB 3.32Å; I68-Y71 PolarHBondContact O-N 3Å; Y71-R73 VanDerWaalsContact C-N 3.34Å; Y71-G75 WeakPolarHBondContact CE2-O 3.28Å; Y71-G75 WeakPolarHBondContact O-CA 3.35Å; Y71-G75 PolarHBondContact O-N 2.74Å; Y71-A77 HydrophobicContact CD2-CB 4.29Å; Y71-V98 HydrophobicContact CD1-CG1 3.37Å; Y71-V98 HydrophobicContact CE1-CG1 3.68Å; Y71-V98 HydrophobicContact CG-CG1 4.3Å; Y71-G100 VanDerWaalsContact OH-CA 3.23Å; Y71-G100 WeakPolarHBondContact OH-CA 3.47Å; Y71-L101 HydrophobicContact CD1-CB 3.95Å; Y71-L101 HydrophobicContact CD2-CB 3.9Å; Y71-L101 HydrophobicContact CD2-CD1 3.81Å; Y71-L101 HydrophobicContact CD2-CG 4.3Å; Y71-L101 HydrophobicContact CE1-CB 4.07Å; Y71-L101 HydrophobicContact CE2-CB 4.03Å; Y71-L101 HydrophobicContact CE2-CD1 4.32Å; Y71-L101 HydrophobicContact CG-CB 3.87Å; Y71-L101 HydrophobicContact CG-CD1 4.28Å; Y71-L101 HydrophobicContact CG-CD2 4.2Å; Y71-L101 HydrophobicContact CG-CG 4.35Å; Y71-L101 PolarHBondContact OH-N 3.39Å
72I96.2Very high95.9Very high14 Ų1453.2 Ų53.27%0.07230%0.299CS..Hα-helixtrans-70.3-31.6177.7-63.8167.1000111.8T30 R33 T36 L38 I68 L69 N70 V98T30-I72 HydrophobicContact CG2-CB 4.33Å; T30-I72 HydrophobicContact CG2-CG2 3.75Å; T30-I72 WeakPolarHBondContact O-CG2 3.37Å; R33-I72 HydrophobicContact CB-CG2 4.05Å; T36-I72 HydrophobicContact CG2-CD1 4.43Å; L38-I72 HydrophobicContact CD1-CD1 3.64Å; I68-I72 HydrophobicContact CG2-CD1 4.04Å; I68-I72 WeakPolarHBondContact O-CG1 3.12Å; I68-I72 PolarHBondContact O-N 3.29Å; I68-I72 VanDerWaalsContact O-N 3.07Å; L69-I72 PolarHBondContact O-N 2.93Å; N70-I72 VanDerWaalsContact C-N 3.27Å; N70-I72 PolarHBondContact O-N 2.92Å; I72-V98 HydrophobicContact CD1-CG2 4.36Å
73R95.4Very high95.8Very high81 Ų8157.1 Ų57.131%0.30631%0.312SS..Hα-helixtrans-70-50.3176.7-71.6170.1-179.9149.5-4.7111.8Y25 T26 T30 R33 L69 N70 Y71Y25-R73 PolarHBondContact O-NH2 3.48Å; Y25-R73 VanDerWaalsContact O-NH2 3.13Å; T26-R73 PolarHBondContact OG1-NH2 3.27Å; T30-R73 HydrophobicContact CG2-CG 3.62Å; R33-R73 PolarHBondContact NH1-O 3.07Å; L69-R73 WeakPolarHBondContact O-CG 3.32Å; L69-R73 PolarHBondContact O-N 2.76Å; N70-R73 WeakPolarHBondContact O-CB 3.48Å; N70-R73 PolarHBondContact O-N 3.36Å; N70-R73 VanDerWaalsContact O-N 3.07Å; N70-R73 PolarHBondContact OD1-NH1 3.47Å; Y71-R73 VanDerWaalsContact C-N 3.34Å
74D95.1Very high95.7Very high120 Ų12057.9 Ų57.964%0.64232%0.315SS*.Hα-helixtrans-110-9-164.2-55.6-35.5000113.4N70 S76N70-D74 PolarHBondContact O-N 3.32Å; D74-S76 PolarHBondContact O-N 3.01Å
75G93.8Very high95.7Very high48 Ų4860.9 Ų60.950%0.49533%0.329SS..SBendtrans75.40.6-173.500000114.1Y71Y71-G75 WeakPolarHBondContact CE2-O 3.28Å; Y71-G75 WeakPolarHBondContact O-CA 3.35Å; Y71-G75 PolarHBondContact O-N 2.74Å
76S94.6Very high95.6Very high78 Ų7861 Ų6155%0.54533%0.329SS..  trans-150.2157.2177.866.40000110.5D74D74-S76 PolarHBondContact O-N 3.01Å
77A94.5Very high95.6Very high21 Ų2163.5 Ų63.517%0.17434%0.335CS..  trans-152147.317400000109.6T67 Y71 L79T67-A77 HydrophobicContact CG2-CB 3.73Å; Y71-A77 HydrophobicContact CD2-CB 4.29Å; A77-L79 PolarHBondContact O-N 2.75Å
78P95.6Very high95.7Very high113 Ų11363.9 Ų63.973%0.73434%0.335SS*.PPolyproline II helixtrans-61.9130.8172.826.5-33.2000109.8
79L96.6Very high95.7Very high53 Ų5363.9 Ų63.928%0.27734%0.335SS..PPolyproline II helixtrans-91.6142.7178.2-61.7-177.4000110.5A77 L86 L89 L101 A104 A108A77-L79 PolarHBondContact O-N 2.75Å; L79-L86 HydrophobicContact CB-CD1 4.14Å; L79-L86 HydrophobicContact CD1-CD1 4.47Å; L79-L89 HydrophobicContact CD2-CD2 3.94Å; L79-L101 HydrophobicContact CD2-CD1 3.71Å; L79-A104 HydrophobicContact CD1-CB 4.06Å; L79-A104 WeakPolarHBondContact CD1-O 3.41Å; L79-A108 HydrophobicContact CD1-CB 3.94Å
80P95.4Very high95.7Very high25 Ų2564.4 Ų64.416%0.16234%0.339CS..PPolyproline II helixtrans-59140.7170.5-21.832.2000112E85 L89P80-E85 HydrophobicContact CB-CB 3.58Å; P80-E85 HydrophobicContact CG-CB 3.95Å; P80-L89 HydrophobicContact CG-CD2 4.24Å
81E91.4Very high95.7Very high179 Ų17966.7 Ų66.784%0.83635%0.35SS*.SBendtrans-80.5-27.1174.8-62.2-177.6169.600112.1
82N92.3Very high95.8Very high81 Ų8165 Ų6543%0.43334%0.343SS..SBendtrans-78.3129.2-179.4175.239.3000111.3K84 E85 L86N82-K84 VanDerWaalsContact C-N 3.31Å; N82-K84 PolarHBondContact O-N 3.13Å; N82-E85 PolarHBondContact O-N 3.46Å; N82-L86 WeakPolarHBondContact O-CB 3.37Å; N82-L86 PolarHBondContact O-N 3.31Å
83R93.6Very high95.8Very high87 Ų8764.3 Ų64.333%0.32834%0.34SS..Hα-helixtrans-50-48.4-179.7-176.4177.7-176.9111.213112.9E85 L86 E87 L109 L112 T113 E116R83-E85 PolarHBondContact O-N 3.36Å; R83-L86 PolarHBondContact O-N 3.16Å; R83-E87 HydrophobicContact CG-CG 4.43Å; R83-E87 IonicContact CZ-OE1 3.15Å; R83-E87 IonicContact NE-OE1 3.32Å; R83-E87 PolarHBondContact NE-OE1 3.39Å; R83-E87 IonicContact NH2-OE1 2.84Å; R83-E87 PolarHBondContact NH2-OE1 2.86Å; R83-E87 WeakPolarHBondContact O-CG 3.47Å; R83-E87 PolarHBondContact O-N 3.24Å; R83-L109 HydrophobicContact CG-CD2 4Å; R83-L112 HydrophobicContact CB-CD1 4.22Å; R83-T113 PolarHBondContact NH1-OG1 2.9Å; R83-E116 IonicContact NH1-OE2 2.91Å
84K96Very high95.9Very high130 Ų13067.6 Ų67.657%0.56536%0.356SS*.Hα-helixtrans-60.7-46.7-177-178.9-174.3176.2-173.60112N82 L86 E87 E88N82-K84 VanDerWaalsContact C-N 3.31Å; N82-K84 PolarHBondContact O-N 3.13Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.05Å; K84-E87 PolarHBondContact O-N 3.28Å; K84-E88 WeakPolarHBondContact CE-OE1 3.35Å; K84-E88 VanDerWaalsContact O-CG 3.27Å; K84-E88 WeakPolarHBondContact O-CG 3.16Å; K84-E88 PolarHBondContact O-N 3.27Å
85E96.9Very high96Very high76 Ų7665.9 Ų65.936%0.35534%0.342SS..Hα-helixtrans-68.8-34.3-179.2-71.2-177.2176.900112.1P80 N82 R83 E88 L89P80-E85 HydrophobicContact CB-CB 3.58Å; P80-E85 HydrophobicContact CG-CB 3.95Å; N82-E85 PolarHBondContact O-N 3.46Å; R83-E85 PolarHBondContact O-N 3.36Å; E85-E88 PolarHBondContact O-N 2.8Å; E85-L89 WeakPolarHBondContact O-CB 3.35Å; E85-L89 PolarHBondContact O-N 2.93Å
86L97.2Very high96.1Very high1 Ų163.6 Ų63.61%0.00532%0.318CS..Hα-helixtrans-68.8-39.5176-170.464.7000112.1L79 N82 R83 K84 L89 A90 C105 A108 L109 L112L79-L86 HydrophobicContact CB-CD1 4.14Å; L79-L86 HydrophobicContact CD1-CD1 4.47Å; N82-L86 WeakPolarHBondContact O-CB 3.37Å; N82-L86 PolarHBondContact O-N 3.31Å; R83-L86 PolarHBondContact O-N 3.16Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.05Å; L86-L89 PolarHBondContact O-N 3.5Å; L86-A90 VanDerWaalsContact O-CB 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.14Å; L86-C105 HydrophobicContact CD1-CB 4.01Å; L86-C105 HydrophobicContact CG-CB 4.45Å; L86-A108 HydrophobicContact CD1-CB 4.19Å; L86-A108 HydrophobicContact CD2-CB 3.47Å; L86-A108 VanDerWaalsContact CD2-CB 3.47Å; L86-A108 HydrophobicContact CG-CB 4.4Å; L86-L109 HydrophobicContact CB-CD2 4.11Å; L86-L109 HydrophobicContact CD2-CB 4.42Å; L86-L109 HydrophobicContact CD2-CD2 3.71Å; L86-L109 HydrophobicContact CD2-CG 3.64Å; L86-L109 HydrophobicContact CG-CD2 3.99Å; L86-L109 HydrophobicContact CG-CG 3.88Å; L86-L112 HydrophobicContact CD2-CD1 3.99Å
87E97.3Very high96.2Very high76 Ų7662.8 Ų62.836%0.35531%0.312SS..Hα-helixtrans-63.6-44.1172.1-73.3173.917700111.5R83 K84 A90 M91 L109R83-E87 HydrophobicContact CG-CG 4.43Å; R83-E87 IonicContact CZ-OE1 3.15Å; R83-E87 IonicContact NE-OE1 3.32Å; R83-E87 PolarHBondContact NE-OE1 3.39Å; R83-E87 IonicContact NH2-OE1 2.84Å; R83-E87 PolarHBondContact NH2-OE1 2.86Å; R83-E87 WeakPolarHBondContact O-CG 3.47Å; R83-E87 PolarHBondContact O-N 3.24Å; K84-E87 PolarHBondContact O-N 3.28Å; E87-A90 PolarHBondContact O-N 2.78Å; E87-M91 WeakPolarHBondContact O-CG 3.47Å; E87-M91 PolarHBondContact O-N 3.01Å; E87-L109 HydrophobicContact CG-CD1 3.97Å; E87-L109 HydrophobicContact CG-CD2 3.64Å; E87-L109 HydrophobicContact CG-CG 4.48Å
88E97.8Very high96.3Very high40 Ų4062 Ų6219%0.18731%0.305CS..Hα-helixtrans-60-46.6174.2-71170.1-178.500111.8K63 H64 K84 E85 M91 E92K63-E88 WeakPolarHBondContact CE-OE2 3.41Å; K63-E88 IonicContact NZ-OE1 3.39Å; K63-E88 IonicContact NZ-OE2 2.86Å; K63-E88 PolarHBondContact NZ-OE2 3.21Å; H64-E88 IonicContact CD2-OE2 3.49Å; H64-E88 IonicContact CE1-OE2 3.29Å; H64-E88 WeakPolarHBondContact NE2-CB 3.49Å; H64-E88 IonicContact NE2-OE2 3.8Å; H64-E88 PolarHBondContact NE2-OE2 3.12Å; K84-E88 WeakPolarHBondContact CE-OE1 3.35Å; K84-E88 VanDerWaalsContact O-CG 3.27Å; K84-E88 WeakPolarHBondContact O-CG 3.16Å; K84-E88 PolarHBondContact O-N 3.27Å; E85-E88 PolarHBondContact O-N 2.8Å; E88-M91 HydrophobicContact CG-CE 4.44Å; E88-M91 PolarHBondContact O-N 3.37Å; E88-E92 PolarHBondContact O-N 3.48Å
89L98.2Very high96.3Very high0 Ų064.8 Ų64.80%031%0.305CS..Hα-helixtrans-62.8-41.5176.2177.564000111.8H64 T67 I68 L79 P80 E85 L86 M91 E92 A93 L101H64-L89 HydrophobicContact CB-CB 4.49Å; H64-L89 HydrophobicContact CB-CD1 3.83Å; T67-L89 HydrophobicContact CG2-CD1 3.98Å; T67-L89 HydrophobicContact CG2-CD2 3.9Å; I68-L89 HydrophobicContact CG1-CD1 4.22Å; L79-L89 HydrophobicContact CD2-CD2 3.94Å; P80-L89 HydrophobicContact CG-CD2 4.24Å; E85-L89 WeakPolarHBondContact O-CB 3.35Å; E85-L89 PolarHBondContact O-N 2.93Å; L86-L89 PolarHBondContact O-N 3.5Å; L89-M91 VanDerWaalsContact C-N 3.33Å; L89-M91 PolarHBondContact O-N 3.2Å; L89-E92 PolarHBondContact O-N 2.86Å; L89-A93 VanDerWaalsContact O-CB 3.31Å; L89-A93 WeakPolarHBondContact O-CB 3.37Å; L89-A93 PolarHBondContact O-N 2.84Å; L89-L101 HydrophobicContact CD1-CD2 4.23Å; L89-L101 HydrophobicContact CD2-CD1 4.44Å
90A97.5Very high96.3Very high13 Ų1363.7 Ų63.711%0.10731%0.307CS..Hα-helixtrans-60.9-41.9177.500000111.6L86 E87 A93 K94 C105L86-A90 VanDerWaalsContact O-CB 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.14Å; E87-A90 PolarHBondContact O-N 2.78Å; A90-A93 PolarHBondContact O-N 3.36Å; A90-K94 VanDerWaalsContact O-CB 3.29Å; A90-K94 WeakPolarHBondContact O-CB 3.23Å; A90-K94 PolarHBondContact O-N 3.37Å; A90-C105 HydrophobicContact CB-CB 3.7Å
91M97.6Very high96.4Very high113 Ų11362.5 Ų62.556%0.55730%0.299SS*.Hα-helixtrans-61.5-44.2176-73.9-171.4-69.800111.9E87 E88 L89 Y95E87-M91 WeakPolarHBondContact O-CG 3.47Å; E87-M91 PolarHBondContact O-N 3.01Å; E88-M91 HydrophobicContact CG-CE 4.44Å; E88-M91 PolarHBondContact O-N 3.37Å; L89-M91 VanDerWaalsContact C-N 3.33Å; L89-M91 PolarHBondContact O-N 3.2Å; M91-Y95 PolarHBondContact O-N 2.85Å
92E97.9Very high96.6Very high15 Ų1554.8 Ų54.87%0.0727%0.265CS..Hα-helixtrans-70.5-42.2177.2-61.9-51.7137.700111.8R60 I68 E88 L89 K94 Y95 F96R60-E92 IonicContact CZ-OE1 3.56Å; R60-E92 IonicContact CZ-OE2 3.55Å; R60-E92 IonicContact NE-OE1 3.64Å; R60-E92 IonicContact NE-OE2 2.93Å; R60-E92 PolarHBondContact NE-OE2 2.93Å; R60-E92 IonicContact NH2-OE1 2.75Å; R60-E92 PolarHBondContact NH2-OE1 2.82Å; R60-E92 IonicContact NH2-OE2 3.29Å; R60-E92 PolarHBondContact NH2-OE2 2.88Å; I68-E92 HydrophobicContact CD1-CB 3.54Å; E88-E92 PolarHBondContact O-N 3.48Å; L89-E92 PolarHBondContact O-N 2.86Å; E92-K94 VanDerWaalsContact C-N 3.25Å; E92-K94 PolarHBondContact O-N 3.44Å; E92-Y95 WeakPolarHBondContact O-CB 3.39Å; E92-Y95 PolarHBondContact O-N 2.81Å; E92-Y95 VanDerWaalsContact O-N 3.09Å; E92-F96 HydrophobicContact CB-CD2 4.4Å; E92-F96 HydrophobicContact CB-CE2 4.42Å; E92-F96 WeakPolarHBondContact O-CD2 3.43Å; E92-F96 PolarHBondContact O-N 2.81Å
93A97.7Very high96.9Very high0 Ų056.2 Ų56.20%027%0.272CS..Hα-helixtrans-59-38.417600000111.9L89 A90 C97 V98 L101 C102L89-A93 VanDerWaalsContact O-CB 3.31Å; L89-A93 WeakPolarHBondContact O-CB 3.37Å; L89-A93 PolarHBondContact O-N 2.84Å; A90-A93 PolarHBondContact O-N 3.36Å; A93-C97 PolarHBondContact O-N 3.08Å; A93-V98 PolarHBondContact O-N 2.97Å; A93-L101 HydrophobicContact CB-CB 4.18Å; A93-L101 HydrophobicContact CB-CD2 3.96Å; A93-L101 HydrophobicContact CB-CG 3.88Å; A93-C102 HydrophobicContact CB-CB 4.34Å
94K97.4Very high97Very high150 Ų15053.4 Ų53.465%0.65227%0.267SS*.Hα-helixtrans-66-44.8173-175.5174.6-177.7173.20111.8A90 E92 C97A90-K94 VanDerWaalsContact O-CB 3.29Å; A90-K94 WeakPolarHBondContact O-CB 3.23Å; A90-K94 PolarHBondContact O-N 3.37Å; E92-K94 VanDerWaalsContact C-N 3.25Å; E92-K94 PolarHBondContact O-N 3.44Å; K94-C97 PolarHBondContact O-N 3.3Å
95Y96.7Very high97.1Very high85 Ų8547.2 Ų47.233%0.33324%0.24SC..Hα-helixtrans-59.1-51176.7176.6-91.1000111.4M37 R60 M91 E92 C97M37-Y95 HydrophobicContact CE-CD1 4.31Å; M37-Y95 HydrophobicContact CE-CD2 4.37Å; M37-Y95 HydrophobicContact CE-CE1 4.03Å; M37-Y95 HydrophobicContact CE-CE2 4.11Å; M37-Y95 HydrophobicContact CE-CG 4.47Å; M37-Y95 WeakPolarHBondContact CE-O 3.41Å; M37-Y95 HydrophobicContact SD-CD1 3.96Å; M37-Y95 HydrophobicContact SD-CE1 3.41Å; M37-Y95 WeakPolarHBondContact SD-CE1 3.48Å; M37-Y95 HydrophobicContact SD-CE2 4.48Å; R60-Y95 VanDerWaalsContact CD-CZ 3.47Å; R60-Y95 HydrophobicContact CG-CD1 3.61Å; R60-Y95 HydrophobicContact CG-CE1 3.25Å; R60-Y95 HydrophobicContact CG-CE2 4.27Å; R60-Y95 HydrophobicContact CG-CG 4.27Å; M91-Y95 PolarHBondContact O-N 2.85Å; E92-Y95 WeakPolarHBondContact O-CB 3.39Å; E92-Y95 PolarHBondContact O-N 2.81Å; E92-Y95 VanDerWaalsContact O-N 3.09Å; Y95-C97 PolarHBondContact O-N 3.28Å; Y95-C97 VanDerWaalsContact O-N 3.11Å
96F96.9Very high97Very high0 Ų048.5 Ų48.50%025%0.246CC..THydrogen-bonded Turntrans-75.65179.5-67.6-71.4000113.7V19 T36 M37 L38 I58 R60 F65 I68 E92 V98V19-F96 HydrophobicContact CG1-CZ 4.45Å; T36-F96 WeakPolarHBondContact CB-O 3.47Å; M37-F96 WeakPolarHBondContact CB-O 3.45Å; M37-F96 PolarHBondContact N-O 3.03Å; M37-F96 HydrophobicContact SD-CD1 4.44Å; L38-F96 HydrophobicContact CD1-CD1 4.44Å; L38-F96 HydrophobicContact CD2-CD1 4.07Å; L38-F96 HydrophobicContact CD2-CE1 4.18Å; L38-F96 HydrophobicContact CG-CD1 4.05Å; I58-F96 HydrophobicContact CD1-CE1 4.42Å; I58-F96 HydrophobicContact CG2-CE1 3.93Å; I58-F96 HydrophobicContact CG2-CZ 3.92Å; R60-F96 HydrophobicContact CB-CE2 4.43Å; R60-F96 HydrophobicContact CB-CZ 4.04Å; R60-F96 HydrophobicContact CG-CE2 4.45Å; R60-F96 HydrophobicContact CG-CZ 3.97Å; F65-F96 HydrophobicContact CD2-CD2 4.4Å; F65-F96 HydrophobicContact CD2-CE1 4.28Å; F65-F96 AromaticContact CD2-CE2 3.72Å; F65-F96 HydrophobicContact CD2-CE2 3.72Å; F65-F96 AromaticContact CD2-CZ 3.64Å; F65-F96 HydrophobicContact CD2-CZ 3.64Å; F65-F96 HydrophobicContact CE2-CD1 4.3Å; F65-F96 AromaticContact CE2-CE1 3.78Å; F65-F96 HydrophobicContact CE2-CE1 3.78Å; F65-F96 HydrophobicContact CE2-CE2 4.02Å; F65-F96 AromaticContact CE2-CZ 3.62Å; F65-F96 HydrophobicContact CE2-CZ 3.62Å; I68-F96 HydrophobicContact CD1-CD2 3.61Å; I68-F96 HydrophobicContact CD1-CE2 4.01Å; I68-F96 HydrophobicContact CG2-CD2 4.47Å; E92-F96 HydrophobicContact CB-CD2 4.4Å; E92-F96 HydrophobicContact CB-CE2 4.42Å; E92-F96 WeakPolarHBondContact O-CD2 3.43Å; E92-F96 PolarHBondContact O-N 2.81Å; F96-V98 HydrophobicContact CB-CG2 3.9Å; F96-V98 PolarHBondContact O-N 3.48Å
97C96.4Very high97Very high61 Ų6154.3 Ų54.341%0.41227%0.273SS..THydrogen-bonded Turntrans55.733.8-178.8-61.60000113.8A93 K94 Y95 K99A93-C97 PolarHBondContact O-N 3.08Å; K94-C97 PolarHBondContact O-N 3.3Å; Y95-C97 PolarHBondContact O-N 3.28Å; Y95-C97 VanDerWaalsContact O-N 3.11Å; C97-K99 VanDerWaalsContact C-N 3.32Å; C97-K99 PolarHBondContact O-N 2.86Å
98V96.9Very high96.9Very high5 Ų551.1 Ų51.13%0.0326%0.26CS..  trans-85.177.5177.2-169.20000109T36 I68 Y71 I72 A93 F96 G100 L101 C102T36-V98 HydrophobicContact CG2-CG2 3.96Å; I68-V98 HydrophobicContact CG2-CG2 4.01Å; Y71-V98 HydrophobicContact CD1-CG1 3.37Å; Y71-V98 HydrophobicContact CE1-CG1 3.68Å; Y71-V98 HydrophobicContact CG-CG1 4.3Å; I72-V98 HydrophobicContact CD1-CG2 4.36Å; A93-V98 PolarHBondContact O-N 2.97Å; F96-V98 HydrophobicContact CB-CG2 3.9Å; F96-V98 PolarHBondContact O-N 3.48Å; V98-G100 PolarHBondContact O-N 3.34Å; V98-L101 HydrophobicContact CB-CB 4.19Å; V98-L101 HydrophobicContact CG1-CB 3.63Å; V98-L101 HydrophobicContact CG1-CD2 4.4Å; V98-L101 PolarHBondContact O-N 2.86Å; V98-L101 VanDerWaalsContact O-N 3.14Å; V98-C102 PolarHBondContact O-N 2.83Å
99K95.5Very high96.7Very high170 Ų17050.4 Ų50.474%0.73926%0.257SS*.Hα-helixtrans-52.5-47-169.6-67-178.1-179.9178.60113.9C97 L101 C102 L103C97-K99 VanDerWaalsContact C-N 3.32Å; C97-K99 PolarHBondContact O-N 2.86Å; K99-L101 PolarHBondContact O-N 3.29Å; K99-C102 WeakPolarHBondContact O-CB 3.37Å; K99-C102 PolarHBondContact O-N 2.8Å; K99-L103 WeakPolarHBondContact O-CG 3.28Å; K99-L103 PolarHBondContact O-N 3.32Å
100G96Very high96.5Very high30 Ų3051.9 Ų51.931%0.30927%0.272SS..Hα-helixtrans-65.2-37.8-177.900000113Y71 V98 A104Y71-G100 VanDerWaalsContact OH-CA 3.23Å; Y71-G100 WeakPolarHBondContact OH-CA 3.47Å; V98-G100 PolarHBondContact O-N 3.34Å; G100-A104 WeakPolarHBondContact O-CB 3.28Å; G100-A104 PolarHBondContact O-N 3.1Å
101L97.1Very high96.1Very high1 Ų157.3 Ų57.31%0.00529%0.29CS..Hα-helixtrans-70.2-39.9174.4-176.858.9000111.8I68 Y71 L79 L89 A93 V98 K99 A104 C105I68-L101 HydrophobicContact CB-CD2 4.48Å; I68-L101 HydrophobicContact CG1-CD2 3.84Å; Y71-L101 HydrophobicContact CD1-CB 3.95Å; Y71-L101 HydrophobicContact CD2-CB 3.9Å; Y71-L101 HydrophobicContact CD2-CD1 3.81Å; Y71-L101 HydrophobicContact CD2-CG 4.3Å; Y71-L101 HydrophobicContact CE1-CB 4.07Å; Y71-L101 HydrophobicContact CE2-CB 4.03Å; Y71-L101 HydrophobicContact CE2-CD1 4.32Å; Y71-L101 HydrophobicContact CG-CB 3.87Å; Y71-L101 HydrophobicContact CG-CD1 4.28Å; Y71-L101 HydrophobicContact CG-CD2 4.2Å; Y71-L101 HydrophobicContact CG-CG 4.35Å; Y71-L101 PolarHBondContact OH-N 3.39Å; L79-L101 HydrophobicContact CD2-CD1 3.71Å; L89-L101 HydrophobicContact CD1-CD2 4.23Å; L89-L101 HydrophobicContact CD2-CD1 4.44Å; A93-L101 HydrophobicContact CB-CB 4.18Å; A93-L101 HydrophobicContact CB-CD2 3.96Å; A93-L101 HydrophobicContact CB-CG 3.88Å; V98-L101 HydrophobicContact CB-CB 4.19Å; V98-L101 HydrophobicContact CG1-CB 3.63Å; V98-L101 HydrophobicContact CG1-CD2 4.4Å; V98-L101 PolarHBondContact O-N 2.86Å; V98-L101 VanDerWaalsContact O-N 3.14Å; K99-L101 PolarHBondContact O-N 3.29Å; L101-A104 PolarHBondContact O-N 2.85Å; L101-C105 PolarHBondContact O-N 3.06Å; L101-C105 PolarHBondContact O-SG 2.89Å
102C96.4Very high95.7Very high17 Ų1754.4 Ų54.412%0.11528%0.276CS..Hα-helixtrans-57.1-50.2175.2-168.80000111.1A93 V98 K99 A104 C105 E106A93-C102 HydrophobicContact CB-CB 4.34Å; V98-C102 PolarHBondContact O-N 2.83Å; K99-C102 WeakPolarHBondContact O-CB 3.37Å; K99-C102 PolarHBondContact O-N 2.8Å; C102-A104 VanDerWaalsContact C-N 3.35Å; C102-A104 PolarHBondContact O-N 3.03Å; C102-C105 PolarHBondContact O-N 3.48Å; C102-E106 WeakPolarHBondContact O-CG 3.16Å; C102-E106 PolarHBondContact O-N 3.43Å; C102-E106 PolarHBondContact SG-OE1 3.39Å
103L96.7Very high95.1Very high110 Ų11055.9 Ų55.958%0.57629%0.286SS*.Hα-helixtrans-61-42.5177-69.8173.2000112K99 C105 E106 E107K99-L103 WeakPolarHBondContact O-CG 3.28Å; K99-L103 PolarHBondContact O-N 3.32Å; L103-C105 VanDerWaalsContact C-N 3.31Å; L103-C105 PolarHBondContact O-N 2.95Å; L103-E106 PolarHBondContact O-N 3.4Å; L103-E107 WeakPolarHBondContact O-CB 3.47Å; L103-E107 PolarHBondContact O-N 2.91Å
104A97Very high94.3Very high28 Ų2860.6 Ų60.623%0.23131%0.311CS..Hα-helixtrans-63-37.617800000112.2L79 G100 L101 C102 A108L79-A104 HydrophobicContact CD1-CB 4.06Å; L79-A104 WeakPolarHBondContact CD1-O 3.41Å; G100-A104 WeakPolarHBondContact O-CB 3.28Å; G100-A104 PolarHBondContact O-N 3.1Å; L101-A104 PolarHBondContact O-N 2.85Å; C102-A104 VanDerWaalsContact C-N 3.35Å; C102-A104 PolarHBondContact O-N 3.03Å; A104-A108 VanDerWaalsContact O-CB 3.32Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.41Å
105C97.4Very high93.4Very high0 Ų060.2 Ų60.20%031%0.307CS..Hα-helixtrans-69.1-44.5175.2-62.20000112L86 A90 L101 C102 L103 E107 A108 L109L86-C105 HydrophobicContact CD1-CB 4.01Å; L86-C105 HydrophobicContact CG-CB 4.45Å; A90-C105 HydrophobicContact CB-CB 3.7Å; L101-C105 PolarHBondContact O-N 3.06Å; L101-C105 PolarHBondContact O-SG 2.89Å; C102-C105 PolarHBondContact O-N 3.48Å; L103-C105 VanDerWaalsContact C-N 3.31Å; L103-C105 PolarHBondContact O-N 2.95Å; C105-E107 VanDerWaalsContact C-N 3.34Å; C105-E107 PolarHBondContact O-N 3.16Å; C105-A108 PolarHBondContact O-N 2.95Å; C105-L109 WeakPolarHBondContact O-CG 3.46Å; C105-L109 PolarHBondContact O-N 3.23Å
106E95.6Very high92.5Very high103 Ų10360.3 Ų60.348%0.48131%0.31SS..Hα-helixtrans-60.4-42.7176.8-73171.8-176.300111.7C102 L103 L109 G110C102-E106 WeakPolarHBondContact O-CG 3.16Å; C102-E106 PolarHBondContact O-N 3.43Å; C102-E106 PolarHBondContact SG-OE1 3.39Å; L103-E106 PolarHBondContact O-N 3.4Å; E106-L109 PolarHBondContact O-N 2.9Å; E106-G110 PolarHBondContact O-N 2.85Å
107E96Very high91.6Very high124 Ų12465 Ų6558%0.57934%0.335SS*.Hα-helixtrans-64.2-43.4176.1-162.6-162.6159.400111.5L103 C105 L109 G110 R111L103-E107 WeakPolarHBondContact O-CB 3.47Å; L103-E107 PolarHBondContact O-N 2.91Å; C105-E107 VanDerWaalsContact C-N 3.34Å; C105-E107 PolarHBondContact O-N 3.16Å; E107-L109 PolarHBondContact O-N 2.96Å; E107-G110 PolarHBondContact O-N 3.44Å; E107-R111 WeakPolarHBondContact O-CG 3.48Å; E107-R111 PolarHBondContact O-N 3.32Å; E107-R111 IonicContact OE1-NH1 3.58Å; E107-R111 PolarHBondContact OE1-NH1 3.09Å; E107-R111 IonicContact OE2-NH1 2.71Å; E107-R111 PolarHBondContact OE2-NH1 3.35Å
108A95.6Very high90.6Very high8 Ų867.5 Ų67.57%0.06634%0.344CS..Hα-helixtrans-63.5-39.5176.300000112.3L79 L86 A104 C105 G110 R111 L112L79-A108 HydrophobicContact CD1-CB 3.94Å; L86-A108 HydrophobicContact CD1-CB 4.19Å; L86-A108 HydrophobicContact CD2-CB 3.47Å; L86-A108 VanDerWaalsContact CD2-CB 3.47Å; L86-A108 HydrophobicContact CG-CB 4.4Å; A104-A108 VanDerWaalsContact O-CB 3.32Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.41Å; C105-A108 PolarHBondContact O-N 2.95Å; A108-G110 VanDerWaalsContact C-N 3.35Å; A108-R111 PolarHBondContact O-N 3.01Å; A108-L112 PolarHBondContact O-N 3.41Å
109L94.9Very high89.4Confident26 Ų2672 Ų7214%0.13637%0.365CS..Hα-helixtrans-64.9-38.8173.5-73.7168.4000112R83 L86 E87 C105 E106 E107 R111 L112 T113R83-L109 HydrophobicContact CG-CD2 4Å; L86-L109 HydrophobicContact CB-CD2 4.11Å; L86-L109 HydrophobicContact CD2-CB 4.42Å; L86-L109 HydrophobicContact CD2-CD2 3.71Å; L86-L109 HydrophobicContact CD2-CG 3.64Å; L86-L109 HydrophobicContact CG-CD2 3.99Å; L86-L109 HydrophobicContact CG-CG 3.88Å; E87-L109 HydrophobicContact CG-CD1 3.97Å; E87-L109 HydrophobicContact CG-CD2 3.64Å; E87-L109 HydrophobicContact CG-CG 4.48Å; C105-L109 WeakPolarHBondContact O-CG 3.46Å; C105-L109 PolarHBondContact O-N 3.23Å; E106-L109 PolarHBondContact O-N 2.9Å; E107-L109 PolarHBondContact O-N 2.96Å; L109-R111 VanDerWaalsContact C-N 3.35Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-T113 PolarHBondContact O-N 3Å; L109-T113 PolarHBondContact O-OG1 3.37Å
110G92.9Very high88.6Confident30 Ų3069.9 Ų69.931%0.30936%0.362SS..Hα-helixtrans-61.6-41.8173.300000112.1E106 E107 A108 T113 N114E106-G110 PolarHBondContact O-N 2.85Å; E107-G110 PolarHBondContact O-N 3.44Å; A108-G110 VanDerWaalsContact C-N 3.35Å; G110-T113 PolarHBondContact O-N 3.02Å; G110-N114 WeakPolarHBondContact O-CB 3.35Å; G110-N114 VanDerWaalsContact O-CG 3.24Å; G110-N114 PolarHBondContact O-N 3.29Å; G110-N114 PolarHBondContact O-ND2 2.93Å; G110-N114 VanDerWaalsContact O-ND2 3.11Å
111R90.4Very high88.2Confident127 Ų12776.7 Ų76.748%0.47938%0.378SS..Hα-helixtrans-63.3-43.6175.2-71.8-171-63.2-97.60.9112.6E107 A108 L109 N114 Y115E107-R111 WeakPolarHBondContact O-CG 3.48Å; E107-R111 PolarHBondContact O-N 3.32Å; E107-R111 IonicContact OE1-NH1 3.58Å; E107-R111 PolarHBondContact OE1-NH1 3.09Å; E107-R111 IonicContact OE2-NH1 2.71Å; E107-R111 PolarHBondContact OE2-NH1 3.35Å; A108-R111 PolarHBondContact O-N 3.01Å; L109-R111 VanDerWaalsContact C-N 3.35Å; R111-N114 PolarHBondContact O-N 3.47Å; R111-Y115 WeakPolarHBondContact O-CB 3.13Å; R111-Y115 PolarHBondContact O-N 2.82Å
112L88Confident87.9Confident52 Ų5278.1 Ų78.127%0.27239%0.39SS..Hα-helixtrans-61.3-47.4176.8-72.3172000111.4R83 L86 A108 L109 N114 Y115 E116R83-L112 HydrophobicContact CB-CD1 4.22Å; L86-L112 HydrophobicContact CD2-CD1 3.99Å; A108-L112 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 3.31Å; L112-N114 PolarHBondContact O-N 3.05Å; L112-Y115 WeakPolarHBondContact O-CB 3.38Å; L112-Y115 PolarHBondContact O-N 3.18Å; L112-E116 WeakPolarHBondContact O-CG 3.35Å; L112-E116 PolarHBondContact O-N 3.45Å
113T85.4Confident87.8Confident46 Ų4681.4 Ų81.428%0.28241%0.409SS..Hα-helixtrans-61.8-44.9178.5-51.90000111.2R83 L109 G110 Y115 E116 D117R83-T113 PolarHBondContact NH1-OG1 2.9Å; L109-T113 PolarHBondContact O-N 3Å; L109-T113 PolarHBondContact O-OG1 3.37Å; G110-T113 PolarHBondContact O-N 3.02Å; T113-Y115 VanDerWaalsContact C-N 3.29Å; T113-Y115 PolarHBondContact O-N 3.48Å; T113-E116 PolarHBondContact O-N 2.83Å; T113-D117 PolarHBondContact O-N 2.9Å
114N82.1Confident87.8Confident99 Ų9978.5 Ų78.553%0.52939%0.394SS..Hα-helixtrans-61.7-37.3176.2-76-34.5000112.5G110 R111 L112 D117 L118G110-N114 WeakPolarHBondContact O-CB 3.35Å; G110-N114 VanDerWaalsContact O-CG 3.24Å; G110-N114 PolarHBondContact O-N 3.29Å; G110-N114 PolarHBondContact O-ND2 2.93Å; G110-N114 VanDerWaalsContact O-ND2 3.11Å; R111-N114 PolarHBondContact O-N 3.47Å; L112-N114 PolarHBondContact O-N 3.05Å; N114-D117 PolarHBondContact O-N 2.94Å; N114-L118 VanDerWaalsContact O-CB 3.24Å; N114-L118 WeakPolarHBondContact O-CB 3.46Å; N114-L118 WeakPolarHBondContact O-CD1 3.35Å; N114-L118 WeakPolarHBondContact O-CG 3.34Å; N114-L118 PolarHBondContact O-N 2.86Å
115Y78.4Confident87.8Confident143 Ų14379.8 Ų79.856%0.56140%0.396SS*.Hα-helixtrans-66.6-44.8177.4-173.4-100.8000111.3R111 L112 T113 D117 L118 Q119R111-Y115 WeakPolarHBondContact O-CB 3.13Å; R111-Y115 PolarHBondContact O-N 2.82Å; L112-Y115 WeakPolarHBondContact O-CB 3.38Å; L112-Y115 PolarHBondContact O-N 3.18Å; T113-Y115 VanDerWaalsContact C-N 3.29Å; T113-Y115 PolarHBondContact O-N 3.48Å; Y115-D117 PolarHBondContact O-N 2.84Å; Y115-L118 PolarHBondContact O-N 2.82Å; Y115-Q119 HydrophobicContact CD1-CG 4.35Å; Y115-Q119 HydrophobicContact CE1-CG 4.1Å; Y115-Q119 WeakPolarHBondContact O-CB 3.47Å; Y115-Q119 WeakPolarHBondContact O-CG 3.4Å; Y115-Q119 PolarHBondContact O-N 2.71Å; Y115-Q119 PolarHBondContact OH-NE2 2.62Å
116E77.5Confident87.7Confident86 Ų8685.5 Ų85.540%0.40243%0.426SS..Hα-helixtrans-59.1-45.5173.9-69.7173.316100111.4R83 L112 T113 Q119 N120R83-E116 IonicContact NH1-OE2 2.91Å; L112-E116 WeakPolarHBondContact O-CG 3.35Å; L112-E116 PolarHBondContact O-N 3.45Å; T113-E116 PolarHBondContact O-N 2.83Å; E116-Q119 PolarHBondContact O-N 3.28Å; E116-N120 PolarHBondContact O-N 3.13Å; E116-N120 VanDerWaalsContact O-N 3.16Å; E116-N120 PolarHBondContact O-ND2 3.38Å
117D78.3Confident87.6Confident98 Ų9881.1 Ų81.152%0.52441%0.406SS..Hα-helixtrans-65.5-41178.3-74.5-20.6000112.3T113 N114 Y115 N120 R121T113-D117 PolarHBondContact O-N 2.9Å; N114-D117 PolarHBondContact O-N 2.94Å; Y115-D117 PolarHBondContact O-N 2.84Å; D117-N120 PolarHBondContact O-N 3.44Å; D117-R121 WeakPolarHBondContact O-CB 3.3Å; D117-R121 PolarHBondContact O-N 2.91Å
118L74.2Confident87.2Confident115 Ų11581.6 Ų81.660%0.60241%0.406SS*.Hα-helixtrans-66.2-37.5178-78.4166.7000112N114 Y115 N120N114-L118 VanDerWaalsContact O-CB 3.24Å; N114-L118 WeakPolarHBondContact O-CB 3.46Å; N114-L118 WeakPolarHBondContact O-CD1 3.35Å; N114-L118 WeakPolarHBondContact O-CG 3.34Å; N114-L118 PolarHBondContact O-N 2.86Å; Y115-L118 PolarHBondContact O-N 2.82Å; L118-N120 VanDerWaalsContact C-N 3.28Å; L118-N120 PolarHBondContact O-N 2.89Å
119Q73Confident86.6Confident98 Ų9884.2 Ų84.246%0.45842%0.424SS..Hα-helixtrans-67.9-30175.6-75.8-170.1-2600112.4Y115 E116Y115-Q119 HydrophobicContact CD1-CG 4.35Å; Y115-Q119 HydrophobicContact CE1-CG 4.1Å; Y115-Q119 WeakPolarHBondContact O-CB 3.47Å; Y115-Q119 WeakPolarHBondContact O-CG 3.4Å; Y115-Q119 PolarHBondContact O-N 2.71Å; Y115-Q119 PolarHBondContact OH-NE2 2.62Å; E116-Q119 PolarHBondContact O-N 3.28Å
120N78Confident86.2Confident127 Ų12784.7 Ų84.768%0.67943%0.428SS*.THydrogen-bonded Turntrans-94.913.3-177.2-68.1-49.9000113.8E116 D117 L118E116-N120 PolarHBondContact O-N 3.13Å; E116-N120 VanDerWaalsContact O-N 3.16Å; E116-N120 PolarHBondContact O-ND2 3.38Å; D117-N120 PolarHBondContact O-N 3.44Å; L118-N120 VanDerWaalsContact C-N 3.28Å; L118-N120 PolarHBondContact O-N 2.89Å
121R87.7Confident86Confident173 Ų17388.9 Ų88.965%0.65344%0.443SS*.  trans-130.2135.5-177.7-176-178.5175.4-158.5-0.7112D117 P181D117-R121 WeakPolarHBondContact O-CB 3.3Å; D117-R121 PolarHBondContact O-N 2.91Å; R121-P181 WeakPolarHBondContact O-CB 3.49Å
122A91.1Very high86.1Confident31 Ų3184.8 Ų84.826%0.25644%0.437SS..  trans-126.4156.7171.200000112.2A177 L178A122-A177 HydrophobicContact CB-CB 3.75Å; A122-A177 WeakPolarHBondContact CB-O 3.27Å; A122-L178 HydrophobicContact CB-CD2 3.91Å; A122-L178 HydrophobicContact CB-CG 4.17Å
123T93.3Very high86.3Confident85 Ų8582.5 Ų82.552%0.52143%0.426SS..  trans-115.8122.1169.7-57.10000109.1I125T123-I125 HydrophobicContact CG2-CG1 4.45Å
124I97Very high86.6Confident50 Ų5086.9 Ų86.926%0.25644%0.441SS..EExtended strand (participates in β ladder)trans-114120.9170-62.7168.6000107.8L173 E174 A177 F186 K188I124-L173 HydrophobicContact CG2-CD2 4.17Å; I124-E174 HydrophobicContact CD1-CB 4.38Å; I124-E174 HydrophobicContact CD1-CG 3.73Å; I124-A177 HydrophobicContact CD1-CB 3.84Å; I124-A177 HydrophobicContact CG1-CB 3.67Å; I124-F186 WeakPolarHBondContact CA-O 3.34Å; I124-F186 HydrophobicContact CG1-CB 4.04Å; I124-K188 HydrophobicContact CG2-CB 3.87Å
125I96.8Very high87.2Confident54 Ų5485.6 Ų85.628%0.27744%0.439SS..EExtended strand (participates in β ladder)trans-84.9123.8177.4-60.1-176.9000108.8T123 V127 L136 L185 F186 V187 K188T123-I125 HydrophobicContact CG2-CG1 4.45Å; I125-V127 HydrophobicContact CG2-CG1 3.97Å; I125-L136 HydrophobicContact CB-CD2 4.42Å; I125-L136 HydrophobicContact CD1-CD1 3.87Å; I125-L136 HydrophobicContact CD1-CD2 4.05Å; I125-L136 HydrophobicContact CG2-CD2 4.18Å; I125-L185 HydrophobicContact CD1-CD1 3.76Å; I125-L185 HydrophobicContact CD1-CD2 4.21Å; I125-L185 HydrophobicContact CD1-CG 4.35Å; I125-L185 HydrophobicContact CG1-CD1 4.23Å; I125-F186 PolarHBondContact N-O 3.17Å; I125-V187 CarbonylContact O-C 3.38Å; I125-V187 VanDerWaalsContact O-CA 3.28Å; I125-V187 WeakPolarHBondContact O-CA 3.47Å; I125-K188 PolarHBondContact O-N 3.39Å
126I95.8Very high87.9Confident120 Ų12080.4 Ų80.462%0.61542%0.421SS*.EExtended strand (participates in β ladder)trans-93.6124.4174.4-54.7176.9000108.8K188 V190I126-K188 VanDerWaalsContact CA-O 3.32Å; I126-K188 WeakPolarHBondContact CA-O 3.26Å; I126-K188 HydrophobicContact CG1-CB 4.32Å; I126-V190 HydrophobicContact CG2-CG2 3.98Å
127V93.4Very high88.8Confident12 Ų1277.2 Ų77.27%0.07341%0.407CS..EExtended strand (participates in β ladder)trans-121.2147.7175.9-60.40000110I125 A132 A133 V187 K188 D189 V190I125-V127 HydrophobicContact CG2-CG1 3.97Å; V127-A132 HydrophobicContact CB-CB 4.39Å; V127-A132 HydrophobicContact CG1-CB 4.4Å; V127-A133 HydrophobicContact CG2-CB 4.06Å; V127-V187 HydrophobicContact CG1-CG1 4.19Å; V127-V187 HydrophobicContact CG2-CG1 3.67Å; V127-K188 PolarHBondContact N-O 3.33Å; V127-D189 HydrophobicContact CG2-CB 3.69Å; V127-D189 CarbonylContact O-C 3.59Å; V127-D189 WeakPolarHBondContact O-CA 3.47Å; V127-V190 PolarHBondContact O-N 3.34Å
128K87.7Confident89.5Confident133 Ų13377 Ų7758%0.57841%0.413SS*.  trans-111.3-36.3-178.6-179.4167168157.70113.5V190 R191 D192K128-V190 WeakPolarHBondContact CA-O 3.42Å; K128-R191 PolarHBondContact O-NH1 2.87Å; K128-R191 VanDerWaalsContact O-NH1 3.13Å; K128-D192 WeakPolarHBondContact CE-OD2 3.29Å; K128-D192 IonicContact NZ-OD2 3.78Å; K128-D192 PolarHBondContact NZ-OD2 3.2Å
129C83.3Confident90.4Very high64 Ų6476.4 Ų76.443%0.43241%0.414SS..SBendtrans-111147.9-176.667.80000112.5N131 A132 A133 R191C129-N131 PolarHBondContact O-N 3.31Å; C129-A132 PolarHBondContact O-N 3.37Å; C129-A132 VanDerWaalsContact O-N 3.16Å; C129-A132 VanDerWaalsContact SG-CB 3.54Å; C129-A133 PolarHBondContact O-N 3Å; C129-R191 PolarHBondContact O-NH1 3.16Å
130P85.8Confident91.4Very high35 Ų3573 Ų7323%0.22740%0.4CS..Hα-helixtrans-59.2-33.6-177.9-24.330.8000113.5A133 K134P130-A133 PolarHBondContact O-N 3.21Å; P130-K134 WeakPolarHBondContact O-CG 3.45Å; P130-K134 PolarHBondContact O-N 3.27Å
131N88.9Confident92Very high118 Ų11878.4 Ų78.463%0.63141%0.411SS*.Hα-helixtrans-68-36-179.1-68-11.2000112.1C129 K134 S135C129-N131 PolarHBondContact O-N 3.31Å; N131-K134 PolarHBondContact O-N 3.46Å; N131-S135 WeakPolarHBondContact O-CB 3.29Å; N131-S135 PolarHBondContact O-N 3.16Å
132A91.9Very high92.3Very high41 Ų4174.5 Ų74.534%0.33940%0.399SS..Hα-helixtrans-64.4-43.4173.600000111.2V127 C129 S135 L136V127-A132 HydrophobicContact CB-CB 4.39Å; V127-A132 HydrophobicContact CG1-CB 4.4Å; C129-A132 PolarHBondContact O-N 3.37Å; C129-A132 VanDerWaalsContact O-N 3.16Å; C129-A132 VanDerWaalsContact SG-CB 3.54Å; A132-S135 PolarHBondContact O-N 3.37Å; A132-L136 WeakPolarHBondContact O-CB 3.31Å; A132-L136 PolarHBondContact O-N 3.37Å
133A91.7Very high92.6Very high5 Ų573.7 Ų73.74%0.04139%0.391CS..Hα-helixtrans-61.3-45174.800000111.7V127 C129 P130 L136 L137 K146V127-A133 HydrophobicContact CG2-CB 4.06Å; C129-A133 PolarHBondContact O-N 3Å; P130-A133 PolarHBondContact O-N 3.21Å; A133-L136 PolarHBondContact O-N 3.5Å; A133-L137 VanDerWaalsContact O-CG 3.24Å; A133-L137 WeakPolarHBondContact O-CG 3.28Å; A133-L137 PolarHBondContact O-N 3.02Å; A133-K146 HydrophobicContact CB-CD 4.47Å
134K92.4Very high92.8Very high138 Ų13869.8 Ų69.860%0.637%0.367SS*.Hα-helixtrans-61.4-46.1177.1-73.6176.4-179-179.30112.3P130 N131 L136 L137 S138P130-K134 WeakPolarHBondContact O-CG 3.45Å; P130-K134 PolarHBondContact O-N 3.27Å; N131-K134 PolarHBondContact O-N 3.46Å; K134-L136 VanDerWaalsContact C-N 3.32Å; K134-L136 PolarHBondContact O-N 3.36Å; K134-L137 PolarHBondContact O-N 2.66Å; K134-S138 PolarHBondContact O-N 3.09Å; K134-S138 PolarHBondContact O-OG 2.89Å
135S94Very high92.9Very high71 Ų7167.4 Ų67.450%0.49736%0.355SS..Hα-helixtrans-62.8-38.3178.2177.80000112.3N131 A132 S138 T139N131-S135 WeakPolarHBondContact O-CB 3.29Å; N131-S135 PolarHBondContact O-N 3.16Å; A132-S135 PolarHBondContact O-N 3.37Å; S135-S138 PolarHBondContact O-N 3.26Å; S135-S138 PolarHBondContact O-OG 3.34Å; S135-T139 WeakPolarHBondContact O-CG2 3.41Å; S135-T139 PolarHBondContact O-N 3.13Å; S135-T139 PolarHBondContact O-OG1 3.29Å
136L94.5Very high92.9Very high34 Ų3465.5 Ų65.518%0.17834%0.344CS..Hα-helixtrans-64-46.7174.1-176.467.7000111.5I125 A132 A133 K134 S138 T139 T140 L185 V187I125-L136 HydrophobicContact CB-CD2 4.42Å; I125-L136 HydrophobicContact CD1-CD1 3.87Å; I125-L136 HydrophobicContact CD1-CD2 4.05Å; I125-L136 HydrophobicContact CG2-CD2 4.18Å; A132-L136 WeakPolarHBondContact O-CB 3.31Å; A132-L136 PolarHBondContact O-N 3.37Å; A133-L136 PolarHBondContact O-N 3.5Å; K134-L136 VanDerWaalsContact C-N 3.32Å; K134-L136 PolarHBondContact O-N 3.36Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 2.94Å; L136-T139 PolarHBondContact O-N 3.31Å; L136-T139 PolarHBondContact O-OG1 2.9Å; L136-T139 VanDerWaalsContact O-OG1 3.1Å; L136-T140 WeakPolarHBondContact O-CG2 3.36Å; L136-T140 PolarHBondContact O-N 2.8Å; L136-T140 VanDerWaalsContact O-N 3.1Å; L136-L185 HydrophobicContact CD1-CD2 4.04Å; L136-L185 HydrophobicContact CD2-CD2 4.12Å; L136-L185 HydrophobicContact CG-CD2 4.1Å; L136-V187 HydrophobicContact CD2-CG1 4.39Å; L136-V187 HydrophobicContact CD2-CG2 3.5Å
137L95.1Very high93Very high20 Ų2059.8 Ų59.811%0.10532%0.315CS..Hα-helixtrans-63.1-33.1179.6-71.2169.9000112.9A133 K134 V144 Y205 G208A133-L137 VanDerWaalsContact O-CG 3.24Å; A133-L137 WeakPolarHBondContact O-CG 3.28Å; A133-L137 PolarHBondContact O-N 3.02Å; K134-L137 PolarHBondContact O-N 2.66Å; L137-V144 HydrophobicContact CD2-CB 3.9Å; L137-V144 HydrophobicContact CD2-CG1 3.92Å; L137-V144 HydrophobicContact CD2-CG2 3.94Å; L137-Y205 HydrophobicContact CD1-CD1 3.94Å; L137-Y205 HydrophobicContact CD1-CE1 3.63Å; L137-Y205 HydrophobicContact CD1-CE2 4.23Å; L137-Y205 HydrophobicContact CD1-CG 4.38Å; L137-Y205 HydrophobicContact CD2-CD1 3.89Å; L137-Y205 HydrophobicContact CD2-CD2 3.76Å; L137-Y205 HydrophobicContact CD2-CE1 4.35Å; L137-Y205 HydrophobicContact CD2-CE2 4.21Å; L137-Y205 HydrophobicContact CD2-CG 3.58Å; L137-G208 WeakPolarHBondContact O-CA 3.44Å
138S93.2Very high93.1Very high94 Ų9459.4 Ų59.466%0.65731%0.313SS*.Hα-helixtrans-77.9-19.7178.761.70000114.1K134 S135 L136K134-S138 PolarHBondContact O-N 3.09Å; K134-S138 PolarHBondContact O-OG 2.89Å; S135-S138 PolarHBondContact O-N 3.26Å; S135-S138 PolarHBondContact O-OG 3.34Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 2.94Å
139T93.4Very high93.2Very high102 Ų10253.4 Ų53.463%0.62629%0.287SS*.Hα-helixtrans-102.7-27.3-174.850.60000113.1S135 L136S135-T139 WeakPolarHBondContact O-CG2 3.41Å; S135-T139 PolarHBondContact O-N 3.13Å; S135-T139 PolarHBondContact O-OG1 3.29Å; L136-T139 PolarHBondContact O-N 3.31Å; L136-T139 PolarHBondContact O-OG1 2.9Å; L136-T139 VanDerWaalsContact O-OG1 3.1Å
140T93.4Very high93.5Very high26 Ų2650.5 Ų50.516%0.1627%0.267CS..  trans-79.4136.6-179.4-175.50000112.8L136 K142 V144 L185L136-T140 WeakPolarHBondContact O-CG2 3.36Å; L136-T140 PolarHBondContact O-N 2.8Å; L136-T140 VanDerWaalsContact O-N 3.1Å; T140-K142 PolarHBondContact OG1-N 3Å; T140-K142 VanDerWaalsContact OG1-N 3.13Å; T140-V144 HydrophobicContact CG2-CG2 3.44Å; T140-V144 VanDerWaalsContact CG2-CG2 3.44Å; T140-L185 HydrophobicContact CG2-CD2 4.33Å
141R91.4Very high93.3Very high240 Ų24053.6 Ų53.691%0.90627%0.274SS*.  trans-90.4-16.4167.6-64.9-175.4-179179.8-0113
142K94.1Very high92.9Very high92 Ų9254.9 Ų54.940%0.427%0.271SS..SBendtrans-72.1146.1178.6-65-169-179.3-1660110T140 V144 A182 L185T140-K142 PolarHBondContact OG1-N 3Å; T140-K142 VanDerWaalsContact OG1-N 3.13Å; K142-V144 WeakPolarHBondContact O-CG2 3.24Å; K142-A182 WeakPolarHBondContact CE-O 3.32Å; K142-A182 PolarHBondContact NZ-O 2.95Å; K142-L185 HydrophobicContact CB-CB 4.33Å
143P97Very high92.2Very high14 Ų1453.6 Ų53.69%0.09126%0.258CS..  trans-54.7144.4162.426.4-35.2000109.8T183 V184 L185 Y205 L244 A248P143-T183 WeakPolarHBondContact CD-O 3.36Å; P143-T183 WeakPolarHBondContact CG-O 3.4Å; P143-V184 HydrophobicContact CG-CG2 3.99Å; P143-L185 PolarHBondContact O-N 3.43Å; P143-Y205 CarbonylContact C-O 3.43Å; P143-Y205 WeakPolarHBondContact CA-O 3.43Å; P143-L244 HydrophobicContact CB-CD1 3.81Å; P143-L244 HydrophobicContact CB-CD2 4.12Å; P143-L244 HydrophobicContact CB-CG 4.01Å; P143-A248 HydrophobicContact CB-CB 4.02Å; P143-A248 HydrophobicContact CG-CB 3.84Å
144V98Very high91.2Very high2 Ų260.5 Ų60.51%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-123.2132.8-174.8-172.10000110L137 T140 K142 L185 V187 Y205L137-V144 HydrophobicContact CD2-CB 3.9Å; L137-V144 HydrophobicContact CD2-CG1 3.92Å; L137-V144 HydrophobicContact CD2-CG2 3.94Å; T140-V144 HydrophobicContact CG2-CG2 3.44Å; T140-V144 VanDerWaalsContact CG2-CG2 3.44Å; K142-V144 WeakPolarHBondContact O-CG2 3.24Å; V144-L185 VanDerWaalsContact CA-O 3.29Å; V144-L185 WeakPolarHBondContact CA-O 3.47Å; V144-L185 WeakPolarHBondContact CG1-O 3.32Å; V144-L185 HydrophobicContact CG2-CB 4.26Å; V144-L185 HydrophobicContact CG2-CD2 4.34Å; V144-V187 HydrophobicContact CG1-CG2 3.67Å; V144-Y205 HydrophobicContact CB-CD2 4.45Å; V144-Y205 PolarHBondContact N-O 3.13Å; V144-Y205 PolarHBondContact O-N 3.23Å
145V98.3Very high90.3Very high0 Ų056.8 Ų56.80%028%0.283CS..EExtended strand (participates in β ladder)trans-112123.2167.2175.80000107.8L173 V184 L185 F186 V187 W202 Y204 M241 L244V145-L173 HydrophobicContact CG1-CD1 4.21Å; V145-V184 HydrophobicContact CB-CG1 4.23Å; V145-V184 HydrophobicContact CG2-CG1 3.71Å; V145-L185 PolarHBondContact N-O 2.98Å; V145-F186 HydrophobicContact CB-CD1 3.82Å; V145-F186 HydrophobicContact CB-CE1 3.84Å; V145-F186 HydrophobicContact CG1-CD1 4.11Å; V145-F186 HydrophobicContact CG1-CE1 4.12Å; V145-F186 HydrophobicContact CG2-CE1 4.15Å; V145-F186 CarbonylContact O-C 3.6Å; V145-F186 WeakPolarHBondContact O-CA 3.35Å; V145-V187 PolarHBondContact O-N 2.89Å; V145-W202 HydrophobicContact CG1-CE3 3.57Å; V145-W202 HydrophobicContact CG1-CZ3 3.6Å; V145-Y204 HydrophobicContact CG1-CE1 4.41Å; V145-Y204 HydrophobicContact CG2-CD1 3.91Å; V145-Y204 HydrophobicContact CG2-CE1 4.18Å; V145-M241 HydrophobicContact CG2-SD 3.84Å; V145-L244 HydrophobicContact CG2-CD2 3.47Å; V145-L244 VanDerWaalsContact CG2-CD2 3.47Å
146K97.5Very high89.4Confident14 Ų1454 Ų546%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-120.3124.5-178.1-171.8-176.175.3139.10110.2A133 T148 V187 D189 W202 S203 Y205A133-K146 HydrophobicContact CB-CD 4.47Å; K146-T148 WeakPolarHBondContact CE-OG1 3.09Å; K146-T148 PolarHBondContact NZ-OG1 3.1Å; K146-V187 CarbonylContact C-O 3.52Å; K146-V187 VanDerWaalsContact CA-O 3.31Å; K146-V187 WeakPolarHBondContact CA-O 3.21Å; K146-V187 HydrophobicContact CB-CB 4.15Å; K146-V187 HydrophobicContact CD-CG1 4.37Å; K146-V187 HydrophobicContact CG-CB 3.91Å; K146-V187 HydrophobicContact CG-CG1 3.89Å; K146-D189 HydrophobicContact CD-CB 3.93Å; K146-D189 HydrophobicContact CG-CB 3.9Å; K146-D189 IonicContact NZ-OD2 3.54Å; K146-D189 PolarHBondContact NZ-OD2 3.13Å; K146-W202 CarbonylContact O-C 3.57Å; K146-W202 WeakPolarHBondContact O-CA 3.48Å; K146-S203 PolarHBondContact N-O 2.86Å; K146-S203 PolarHBondContact O-N 3.31Å; K146-Y205 HydrophobicContact CB-CE2 4.02Å
147L97.7Very high88.4Confident0 Ų053.3 Ų53.30%026%0.26CS..EExtended strand (participates in β ladder)trans-100.4108.2168.817760000109.2M149 N169 L173 V187 D189 W202L147-M149 HydrophobicContact CD1-CG 4.41Å; L147-M149 HydrophobicContact CD2-CG 4.24Å; L147-M149 HydrophobicContact CD2-SD 3.92Å; L147-M149 HydrophobicContact CG-CG 3.85Å; L147-M149 HydrophobicContact CG-SD 4.13Å; L147-N169 HydrophobicContact CD1-CB 4.44Å; L147-N169 HydrophobicContact CD2-CB 4.24Å; L147-L173 HydrophobicContact CB-CD1 4Å; L147-L173 HydrophobicContact CB-CD2 4.04Å; L147-L173 HydrophobicContact CB-CG 4.49Å; L147-L173 HydrophobicContact CD2-CB 4.17Å; L147-L173 HydrophobicContact CD2-CD2 4.24Å; L147-V187 PolarHBondContact N-O 3.44Å; L147-D189 PolarHBondContact O-N 3.1Å; L147-W202 HydrophobicContact CD1-CD2 4.31Å; L147-W202 HydrophobicContact CD1-CG 4.19Å
148T94.7Very high87.5Confident5 Ų560.1 Ų60.13%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-82.2132.9172.4-50.70000109.7K146 D189 R191 E198 C200 E201K146-T148 WeakPolarHBondContact CE-OG1 3.09Å; K146-T148 PolarHBondContact NZ-OG1 3.1Å; T148-D189 CarbonylContact C-O 3.58Å; T148-D189 WeakPolarHBondContact CA-O 3.49Å; T148-R191 HydrophobicContact CG2-CG 4.27Å; T148-E198 HydrophobicContact CG2-CB 4.36Å; T148-C200 VanDerWaalsContact O-CA 3.28Å; T148-C200 WeakPolarHBondContact O-CA 3.32Å; T148-E201 PolarHBondContact N-O 2.94Å; T148-E201 PolarHBondContact O-N 3.44Å
149M91.6Very high87.1Confident6 Ų658 Ų583%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-140.1117.7-179.6-57.7171.772.100110.4L147 L166 I170 K188 D189 R191 I199L147-M149 HydrophobicContact CD1-CG 4.41Å; L147-M149 HydrophobicContact CD2-CG 4.24Å; L147-M149 HydrophobicContact CD2-SD 3.92Å; L147-M149 HydrophobicContact CG-CG 3.85Å; L147-M149 HydrophobicContact CG-SD 4.13Å; M149-L166 HydrophobicContact CE-CD1 3.53Å; M149-L166 HydrophobicContact CE-CD2 4.18Å; M149-L166 HydrophobicContact CE-CG 3.75Å; M149-L166 HydrophobicContact CG-CD1 4.47Å; M149-I170 HydrophobicContact CE-CD1 3.31Å; M149-I170 HydrophobicContact CE-CG1 3.32Å; M149-I170 HydrophobicContact SD-CD1 4.28Å; M149-I170 HydrophobicContact SD-CG1 3.78Å; M149-K188 HydrophobicContact SD-CG 4.2Å; M149-D189 PolarHBondContact N-O 2.88Å; M149-R191 PolarHBondContact O-N 3.25Å; M149-I199 CarbonylContact C-O 3.54Å; M149-I199 WeakPolarHBondContact CA-O 3.29Å
150N88.2Confident86.7Confident3 Ų357.7 Ų57.72%0.01627%0.271CS..  trans-119.983.9175.2-171.4-4.8000110Y152 N153 R191 Q196 E198 I199N150-Y152 PolarHBondContact O-N 2.93Å; N150-Y152 PolarHBondContact OD1-N 3.27Å; N150-N153 HydrophobicContact CB-CB 4.39Å; N150-N153 PolarHBondContact O-N 2.99Å; N150-N153 PolarHBondContact OD1-N 3.34Å; N150-R191 HydrophobicContact CB-CB 3.91Å; N150-R191 PolarHBondContact OD1-O 3.33Å; N150-Q196 PolarHBondContact ND2-O 3.45Å; N150-E198 WeakPolarHBondContact CB-O 3.46Å; N150-I199 PolarHBondContact N-O 2.92Å
151R82.1Confident86.6Confident101 Ų10160.7 Ų60.738%0.38129%0.286SS..THydrogen-bonded Turntrans-65.2-18.1179.8-71.8-172.9178.8-162-4.3113.2Y158 L166R151-Y158 PolarHBondContact O-OH 2.96Å; R151-L166 HydrophobicContact CG-CD2 3.75Å; R151-L166 VanDerWaalsContact NE-CD2 3.31Å
152Y80.6Confident86.5Confident145 Ų14549.2 Ų49.257%0.56924%0.243SC*.THydrogen-bonded Turntrans-95.60.4-175.6-58.3-79.8000113.5N150 N154 D192N150-Y152 PolarHBondContact O-N 2.93Å; N150-Y152 PolarHBondContact OD1-N 3.27Å; Y152-N154 PolarHBondContact O-N 3.27Å; Y152-D192 HydrophobicContact CD2-CB 4.45Å; Y152-D192 HydrophobicContact CE2-CB 4.45Å; Y152-D192 WeakPolarHBondContact CE2-OD1 3.46Å
153N78.1Confident86.3Confident13 Ų1348.8 Ų48.87%0.0724%0.242CC..  trans-68.1121.2176.1-169.2-58.1000109.6N150 V155 F156 Q196 I199N150-N153 HydrophobicContact CB-CB 4.39Å; N150-N153 PolarHBondContact O-N 2.99Å; N150-N153 PolarHBondContact OD1-N 3.34Å; N153-V155 PolarHBondContact O-N 3.5Å; N153-V155 WeakPolarHBondContact OD1-CB 3.35Å; N153-V155 VanDerWaalsContact OD1-CG2 3.31Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.46Å; N153-V155 PolarHBondContact OD1-N 3.16Å; N153-F156 WeakPolarHBondContact O-CB 3.45Å; N153-F156 PolarHBondContact O-N 3.4Å; N153-Q196 PolarHBondContact ND2-O 3.34Å; N153-I199 HydrophobicContact CB-CG1 3.97Å
154N70Confident86.2Confident150 Ų15052.3 Ų52.380%0.80226%0.26SS*.THydrogen-bonded Turntrans-74.9-8.5-174.264.1-21.1000114.2Y152 F156Y152-N154 PolarHBondContact O-N 3.27Å; N154-F156 VanDerWaalsContact C-N 3.32Å
155V74.2Confident86Confident60 Ų6053 Ų5336%0.36426%0.264SS..THydrogen-bonded Turntrans-81.3-18.3176.5-161.50000111.2N153 I228N153-V155 PolarHBondContact O-N 3.5Å; N153-V155 WeakPolarHBondContact OD1-CB 3.35Å; N153-V155 VanDerWaalsContact OD1-CG2 3.31Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.46Å; N153-V155 PolarHBondContact OD1-N 3.16Å; V155-I228 HydrophobicContact CB-CD1 4.03Å; V155-I228 HydrophobicContact CG1-CD1 3.28Å; V155-I228 HydrophobicContact CG1-CG1 3.82Å; V155-I228 WeakPolarHBondContact O-CB 3.21Å
156F74.6Confident85.8Confident13 Ų1353.4 Ų53.46%0.05727%0.266CS..BIsolated β-bridgetrans-71.3126.2176.2172.3-115.1000112.2N153 N154 Y158 S162 I199 V230N153-F156 WeakPolarHBondContact O-CB 3.45Å; N153-F156 PolarHBondContact O-N 3.4Å; N154-F156 VanDerWaalsContact C-N 3.32Å; F156-Y158 HydrophobicContact CD1-CD1 4.21Å; F156-Y158 HydrophobicContact CD1-CD2 4.33Å; F156-Y158 HydrophobicContact CD1-CE1 4.02Å; F156-Y158 HydrophobicContact CD1-CE2 4.12Å; F156-Y158 HydrophobicContact CD1-CG 4.37Å; F156-Y158 AromaticContact CD1-CZ 3.98Å; F156-Y158 AromaticContact CE1-CD1 3.78Å; F156-Y158 HydrophobicContact CE1-CD1 3.78Å; F156-Y158 AromaticContact CE1-CE1 3.82Å; F156-Y158 HydrophobicContact CE1-CE1 3.82Å; F156-Y158 HydrophobicContact CE1-CG 4.2Å; F156-S162 VanDerWaalsContact CZ-CB 3.47Å; F156-I199 HydrophobicContact CB-CD1 4Å; F156-I199 HydrophobicContact CB-CG1 4.33Å; F156-I199 HydrophobicContact CB-CG2 4.06Å; F156-I199 HydrophobicContact CD2-CG2 3.87Å; F156-I199 HydrophobicContact CG-CG2 4.07Å; F156-V230 HydrophobicContact CD2-CG2 3.68Å; F156-V230 HydrophobicContact CE2-CB 3.74Å; F156-V230 HydrophobicContact CE2-CG2 3.25Å; F156-V230 HydrophobicContact CZ-CG2 4.15Å
157S74.1Confident85.7Confident19 Ų1955.8 Ų55.813%0.13328%0.279CS..  trans-86116.4175.6-57.40000110.9T159 S162 L227 I228S157-T159 PolarHBondContact O-N 3.27Å; S157-S162 WeakPolarHBondContact O-CB 3.42Å; S157-S162 PolarHBondContact O-OG 3.18Å; S157-L227 WeakPolarHBondContact OG-CA 3.15Å; S157-L227 WeakPolarHBondContact OG-CB 3.12Å; S157-L227 VanDerWaalsContact OG-CD2 3.29Å; S157-L227 WeakPolarHBondContact OG-CD2 3.46Å; S157-I228 WeakPolarHBondContact CB-O 3.39Å; S157-I228 PolarHBondContact N-O 3.07Å; S157-I228 PolarHBondContact OG-N 3.48Å; S157-I228 PolarHBondContact OG-O 2.82Å
158Y75.4Confident85.6Confident164 Ų16462 Ų6264%0.64330%0.303SS*.  trans-72.488.3173.8-66.8-88.9000110.2R151 F156R151-Y158 PolarHBondContact O-OH 2.96Å; F156-Y158 HydrophobicContact CD1-CD1 4.21Å; F156-Y158 HydrophobicContact CD1-CD2 4.33Å; F156-Y158 HydrophobicContact CD1-CE1 4.02Å; F156-Y158 HydrophobicContact CD1-CE2 4.12Å; F156-Y158 HydrophobicContact CD1-CG 4.37Å; F156-Y158 AromaticContact CD1-CZ 3.98Å; F156-Y158 AromaticContact CE1-CD1 3.78Å; F156-Y158 HydrophobicContact CE1-CD1 3.78Å; F156-Y158 AromaticContact CE1-CE1 3.82Å; F156-Y158 HydrophobicContact CE1-CE1 3.82Å; F156-Y158 HydrophobicContact CE1-CG 4.2Å
159T84Confident85.8Confident49 Ų4961.8 Ų61.830%0.30130%0.301SS..  trans-106.7154.4164.173.50000108.7S157 N161 S162 H163S157-T159 PolarHBondContact O-N 3.27Å; T159-N161 VanDerWaalsContact C-N 3.26Å; T159-N161 PolarHBondContact O-N 3.28Å; T159-S162 WeakPolarHBondContact O-CB 3.32Å; T159-S162 PolarHBondContact O-N 3.48Å; T159-S162 VanDerWaalsContact O-N 3.08Å; T159-S162 WeakPolarHBondContact OG1-CB 3.43Å; T159-S162 PolarHBondContact OG1-N 2.82Å; T159-S162 PolarHBondContact OG1-OG 3.5Å; T159-H163 PolarHBondContact O-N 3.23Å; T159-H163 VanDerWaalsContact O-N 3.09Å
160S85.5Confident86Confident96 Ų9662.2 Ų62.267%0.67130%0.303SS*.Hα-helixtrans-52.6-48.317446.30000111S162 H163 D164S160-S162 VanDerWaalsContact C-N 3.32Å; S160-S162 PolarHBondContact O-N 2.7Å; S160-H163 WeakPolarHBondContact O-CB 3.37Å; S160-H163 PolarHBondContact O-N 2.91Å; S160-D164 VanDerWaalsContact O-CG 3.32Å; S160-D164 PolarHBondContact O-N 3.5Å
161N90.6Very high86.5Confident88 Ų8867.7 Ų67.747%0.47133%0.329SS..Hα-helixtrans-57.3-40.2175.9-173.878.1000113.2T159 H163 N165T159-N161 VanDerWaalsContact C-N 3.26Å; T159-N161 PolarHBondContact O-N 3.28Å; N161-H163 VanDerWaalsContact C-N 3.33Å; N161-H163 PolarHBondContact O-N 2.99Å; N161-N165 PolarHBondContact ND2-ND2 2.95Å; N161-N165 WeakPolarHBondContact O-CB 3.41Å; N161-N165 VanDerWaalsContact O-CG 3.26Å; N161-N165 PolarHBondContact O-N 3.36Å; N161-N165 PolarHBondContact O-ND2 2.89Å
162S90.8Very high87.3Confident0 Ų063.4 Ų63.40%031%0.314CS..Hα-helixtrans-63.3-39.3175.7-64.40000112.2F156 S157 T159 S160 L166F156-S162 VanDerWaalsContact CZ-CB 3.47Å; S157-S162 WeakPolarHBondContact O-CB 3.42Å; S157-S162 PolarHBondContact O-OG 3.18Å; T159-S162 WeakPolarHBondContact O-CB 3.32Å; T159-S162 PolarHBondContact O-N 3.48Å; T159-S162 VanDerWaalsContact O-N 3.08Å; T159-S162 WeakPolarHBondContact OG1-CB 3.43Å; T159-S162 PolarHBondContact OG1-N 2.82Å; T159-S162 PolarHBondContact OG1-OG 3.5Å; S160-S162 VanDerWaalsContact C-N 3.32Å; S160-S162 PolarHBondContact O-N 2.7Å; S162-L166 PolarHBondContact O-N 3.45Å; S162-L166 VanDerWaalsContact O-N 3.13Å
163H89.6Confident88.1Confident83 Ų8356.5 Ų56.538%0.38429%0.287SS..Hα-helixtrans-70.3-44.9179.1-163.882.1000111.2T159 S160 N161 N165 L166 L167T159-H163 PolarHBondContact O-N 3.23Å; T159-H163 VanDerWaalsContact O-N 3.09Å; S160-H163 WeakPolarHBondContact O-CB 3.37Å; S160-H163 PolarHBondContact O-N 2.91Å; N161-H163 VanDerWaalsContact C-N 3.33Å; N161-H163 PolarHBondContact O-N 2.99Å; H163-N165 PolarHBondContact O-N 3.02Å; H163-L166 WeakPolarHBondContact O-CB 3.22Å; H163-L166 PolarHBondContact O-N 3.29Å; H163-L166 VanDerWaalsContact O-N 3.14Å; H163-L167 PolarHBondContact O-N 2.93Å
164D93.9Very high89Confident87 Ų8760 Ų6047%0.46530%0.303SS..Hα-helixtrans-60.9-44.8177.3-64.4-23000111S160 L166 L167 R168S160-D164 VanDerWaalsContact O-CG 3.32Å; S160-D164 PolarHBondContact O-N 3.5Å; D164-L166 VanDerWaalsContact C-N 3.29Å; D164-L166 PolarHBondContact O-N 3.06Å; D164-L167 WeakPolarHBondContact O-CB 3.35Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-L167 VanDerWaalsContact O-N 3.13Å; D164-R168 WeakPolarHBondContact O-CG 3.14Å; D164-R168 PolarHBondContact O-N 3.17Å
165N95.2Very high90.2Very high17 Ų1758.1 Ų58.19%0.09129%0.288CS..Hα-helixtrans-63.5-34.6175.7-75.4-24.4000112.6N161 H163 L167 R168 N169 V230 F232N161-N165 PolarHBondContact ND2-ND2 2.95Å; N161-N165 WeakPolarHBondContact O-CB 3.41Å; N161-N165 VanDerWaalsContact O-CG 3.26Å; N161-N165 PolarHBondContact O-N 3.36Å; N161-N165 PolarHBondContact O-ND2 2.89Å; H163-N165 PolarHBondContact O-N 3.02Å; N165-L167 VanDerWaalsContact C-N 3.34Å; N165-R168 PolarHBondContact O-N 3.05Å; N165-N169 PolarHBondContact O-N 2.85Å; N165-N169 PolarHBondContact O-ND2 2.92Å; N165-V230 HydrophobicContact CB-CG1 4.1Å; N165-V230 WeakPolarHBondContact CB-O 3.2Å; N165-V230 PolarHBondContact ND2-O 2.84Å; N165-F232 HydrophobicContact CB-CB 4.19Å
166L93.5Very high91.3Very high8 Ų856 Ų564%0.04227%0.273CS..Hα-helixtrans-64.7-40174.1-173.465.4000111.5M149 R151 S162 H163 D164 N169 I170 C200 V230M149-L166 HydrophobicContact CE-CD1 3.53Å; M149-L166 HydrophobicContact CE-CD2 4.18Å; M149-L166 HydrophobicContact CE-CG 3.75Å; M149-L166 HydrophobicContact CG-CD1 4.47Å; R151-L166 HydrophobicContact CG-CD2 3.75Å; R151-L166 VanDerWaalsContact NE-CD2 3.31Å; S162-L166 PolarHBondContact O-N 3.45Å; S162-L166 VanDerWaalsContact O-N 3.13Å; H163-L166 WeakPolarHBondContact O-CB 3.22Å; H163-L166 PolarHBondContact O-N 3.29Å; H163-L166 VanDerWaalsContact O-N 3.14Å; D164-L166 VanDerWaalsContact C-N 3.29Å; D164-L166 PolarHBondContact O-N 3.06Å; L166-N169 PolarHBondContact O-N 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 3.43Å; L166-C200 HydrophobicContact CD1-CB 4.33Å; L166-V230 HydrophobicContact CB-CG1 4.29Å
167L94.6Very high92.3Very high65 Ų6555.4 Ų55.434%0.3427%0.271SS..Hα-helixtrans-64.4-44.6174.3-66.3174.7000111.2H163 D164 N165 N169 I170 E171H163-L167 PolarHBondContact O-N 2.93Å; D164-L167 WeakPolarHBondContact O-CB 3.35Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-L167 VanDerWaalsContact O-N 3.13Å; N165-L167 VanDerWaalsContact C-N 3.34Å; L167-N169 VanDerWaalsContact C-N 3.29Å; L167-N169 PolarHBondContact O-N 3.36Å; L167-I170 HydrophobicContact CD2-CD1 4.3Å; L167-I170 WeakPolarHBondContact O-CA 3.34Å; L167-I170 WeakPolarHBondContact O-CB 3.49Å; L167-I170 PolarHBondContact O-N 3.46Å; L167-E171 WeakPolarHBondContact O-CG 3.15Å; L167-E171 PolarHBondContact O-N 3.01Å
168R97.5Very high93.2Very high131 Ų13158.7 Ų58.749%0.49429%0.287SS..Hα-helixtrans-58.7-38.3176.2-69.5178.8120.7-173-2.2113D164 N165 I170 C172 F232D164-R168 WeakPolarHBondContact O-CG 3.14Å; D164-R168 PolarHBondContact O-N 3.17Å; N165-R168 PolarHBondContact O-N 3.05Å; R168-I170 VanDerWaalsContact C-N 3.34Å; R168-I170 PolarHBondContact O-N 3.27Å; R168-C172 WeakPolarHBondContact O-CB 3.24Å; R168-C172 PolarHBondContact O-N 2.94Å; R168-F232 HydrophobicContact CB-CB 4.23Å; R168-F232 HydrophobicContact CB-CD1 3.86Å; R168-F232 HydrophobicContact CB-CD2 4.06Å; R168-F232 HydrophobicContact CB-CE1 4.22Å; R168-F232 HydrophobicContact CB-CE2 4.43Å; R168-F232 HydrophobicContact CB-CG 3.77Å; R168-F232 HydrophobicContact CB-CZ 4.49Å
169N97.6Very high94.1Very high0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-62.2-40.1172.6-81.6-78.2000112.2L147 N165 L166 L167 L173 W202 E231L147-N169 HydrophobicContact CD1-CB 4.44Å; L147-N169 HydrophobicContact CD2-CB 4.24Å; N165-N169 PolarHBondContact O-N 2.85Å; N165-N169 PolarHBondContact O-ND2 2.92Å; L166-N169 PolarHBondContact O-N 3.47Å; L167-N169 VanDerWaalsContact C-N 3.29Å; L167-N169 PolarHBondContact O-N 3.36Å; N169-L173 PolarHBondContact O-N 3.11Å; N169-L173 VanDerWaalsContact O-N 3.12Å; N169-W202 WeakPolarHBondContact O-CZ2 3.43Å; N169-W202 PolarHBondContact OD1-NE1 3.38Å; N169-E231 PolarHBondContact ND2-O 2.94Å
170I96.9Very high94.5Very high15 Ų1555.6 Ų55.68%0.07728%0.275CS..Hα-helixtrans-67.2-49.1177.3-60.8163.9000110.8M149 L166 L167 R168 C172 L173 E174M149-I170 HydrophobicContact CE-CD1 3.31Å; M149-I170 HydrophobicContact CE-CG1 3.32Å; M149-I170 HydrophobicContact SD-CD1 4.28Å; M149-I170 HydrophobicContact SD-CG1 3.78Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 3.43Å; L167-I170 HydrophobicContact CD2-CD1 4.3Å; L167-I170 WeakPolarHBondContact O-CA 3.34Å; L167-I170 WeakPolarHBondContact O-CB 3.49Å; L167-I170 PolarHBondContact O-N 3.46Å; R168-I170 VanDerWaalsContact C-N 3.34Å; R168-I170 PolarHBondContact O-N 3.27Å; I170-C172 VanDerWaalsContact C-N 3.25Å; I170-C172 PolarHBondContact O-N 3Å; I170-L173 WeakPolarHBondContact O-CB 3.38Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.09Å; I170-E174 WeakPolarHBondContact CG2-OE1 3.39Å; I170-E174 WeakPolarHBondContact O-CG 3.43Å; I170-E174 PolarHBondContact O-N 3.41Å
171E97.8Very high94.8Very high117 Ų11753.3 Ų53.355%0.54726%0.258SS..Hα-helixtrans-60-38.8179-70.1172.517800111.2L167 E174 K175L167-E171 WeakPolarHBondContact O-CG 3.15Å; L167-E171 PolarHBondContact O-N 3.01Å; E171-E174 PolarHBondContact O-N 2.83Å; E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 3.29Å
172C98.1Very high94.7Very high11 Ų1152.7 Ų52.77%0.07427%0.265CS..Hα-helixtrans-63-41.9174.9-172.40000111.8R168 I170 K175 Y176 W202 F232R168-C172 WeakPolarHBondContact O-CB 3.24Å; R168-C172 PolarHBondContact O-N 2.94Å; I170-C172 VanDerWaalsContact C-N 3.25Å; I170-C172 PolarHBondContact O-N 3Å; C172-K175 PolarHBondContact O-N 2.88Å; C172-Y176 VanDerWaalsContact O-CD2 3.23Å; C172-Y176 WeakPolarHBondContact O-CD2 3.49Å; C172-Y176 PolarHBondContact O-N 2.88Å; C172-Y176 WeakPolarHBondContact SG-CE2 3.19Å; C172-W202 HydrophobicContact CB-CH2 4.23Å; C172-W202 HydrophobicContact CB-CZ2 4.03Å; C172-F232 HydrophobicContact CB-CE2 3.65Å; C172-F232 HydrophobicContact CB-CZ 3.92Å
173L98.2Very high94.8Very high1 Ų156.2 Ų56.21%0.00529%0.287CS..Hα-helixtrans-60.7-45.7174.5-175.479.5000111.1I124 V145 L147 N169 I170 Y176 A177 F186 K188 W202I124-L173 HydrophobicContact CG2-CD2 4.17Å; V145-L173 HydrophobicContact CG1-CD1 4.21Å; L147-L173 HydrophobicContact CB-CD1 4Å; L147-L173 HydrophobicContact CB-CD2 4.04Å; L147-L173 HydrophobicContact CB-CG 4.49Å; L147-L173 HydrophobicContact CD2-CB 4.17Å; L147-L173 HydrophobicContact CD2-CD2 4.24Å; N169-L173 PolarHBondContact O-N 3.11Å; N169-L173 VanDerWaalsContact O-N 3.12Å; I170-L173 WeakPolarHBondContact O-CB 3.38Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.09Å; L173-Y176 PolarHBondContact O-N 3.26Å; L173-A177 WeakPolarHBondContact O-CB 3.5Å; L173-A177 PolarHBondContact O-N 3.49Å; L173-F186 HydrophobicContact CD1-CB 4.48Å; L173-F186 HydrophobicContact CD1-CD1 3.77Å; L173-F186 HydrophobicContact CG-CD1 4.43Å; L173-K188 HydrophobicContact CD2-CB 4.08Å; L173-K188 HydrophobicContact CD2-CG 4.43Å; L173-W202 HydrophobicContact CB-CH2 3.89Å; L173-W202 HydrophobicContact CB-CZ2 4.37Å; L173-W202 HydrophobicContact CD1-CH2 4.06Å; L173-W202 HydrophobicContact CD1-CZ3 3.9Å
174E96.9Very high95.2Very high87 Ų8752.4 Ų52.441%0.40727%0.269SS..Hα-helixtrans-63.8-43.5179.5-69.8169.2-177.400111.9I124 I170 E171 Y176 A177 L178I124-E174 HydrophobicContact CD1-CB 4.38Å; I124-E174 HydrophobicContact CD1-CG 3.73Å; I170-E174 WeakPolarHBondContact CG2-OE1 3.39Å; I170-E174 WeakPolarHBondContact O-CG 3.43Å; I170-E174 PolarHBondContact O-N 3.41Å; E171-E174 PolarHBondContact O-N 2.83Å; E174-Y176 PolarHBondContact O-N 3.46Å; E174-A177 PolarHBondContact O-N 3.5Å; E174-L178 PolarHBondContact O-N 3.37Å; E174-L178 VanDerWaalsContact O-N 3.09Å
175K95.6Very high95.3Very high109 Ų10949.5 Ų49.547%0.47425%0.253SS..Hα-helixtrans-57.2-49.2173.7-179.8-179.5177-178.10111.5E171 C172 A177 L178 M179E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 3.29Å; C172-K175 PolarHBondContact O-N 2.88Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-A177 PolarHBondContact O-N 3.44Å; K175-L178 PolarHBondContact O-N 2.87Å; K175-M179 HydrophobicContact CG-SD 4.22Å; K175-M179 WeakPolarHBondContact O-CG 3.36Å; K175-M179 PolarHBondContact O-N 3.39Å
176Y96.8Very high95.4Very high16 Ų1648.7 Ų48.76%0.06325%0.249CC..Hα-helixtrans-67.6-34.1179-79.8-57.7000113.2C172 L173 E174 L178 M179 F180 F186 W202 I237 H238 M241C172-Y176 VanDerWaalsContact O-CD2 3.23Å; C172-Y176 WeakPolarHBondContact O-CD2 3.49Å; C172-Y176 PolarHBondContact O-N 2.88Å; C172-Y176 WeakPolarHBondContact SG-CE2 3.19Å; L173-Y176 PolarHBondContact O-N 3.26Å; E174-Y176 PolarHBondContact O-N 3.46Å; Y176-L178 VanDerWaalsContact C-N 3.27Å; Y176-L178 PolarHBondContact O-N 3.06Å; Y176-M179 HydrophobicContact CD1-SD 4.11Å; Y176-M179 HydrophobicContact CE1-SD 4.35Å; Y176-M179 PolarHBondContact O-N 3.25Å; Y176-F180 HydrophobicContact CD1-CD2 4.13Å; Y176-F180 AromaticContact CD1-CE2 3.76Å; Y176-F180 HydrophobicContact CD1-CE2 3.76Å; Y176-F180 HydrophobicContact CE1-CE2 4.23Å; Y176-F180 WeakPolarHBondContact O-CD2 3.37Å; Y176-F180 PolarHBondContact O-N 2.93Å; Y176-F186 VanDerWaalsContact C-CZ 3.43Å; Y176-F186 VanDerWaalsContact O-CZ 3.3Å; Y176-F186 WeakPolarHBondContact O-CZ 3.45Å; Y176-W202 HydrophobicContact CD2-CH2 4.34Å; Y176-I237 HydrophobicContact CE2-CG2 3.98Å; Y176-H238 VanDerWaalsContact OH-CA 3.3Å; Y176-H238 WeakPolarHBondContact OH-CA 3.43Å; Y176-H238 WeakPolarHBondContact OH-CB 3.41Å; Y176-H238 PolarHBondContact OH-ND1 3.47Å; Y176-M241 HydrophobicContact CD1-CE 4.47Å; Y176-M241 HydrophobicContact CD1-CG 4Å; Y176-M241 HydrophobicContact CE1-CB 4.37Å; Y176-M241 HydrophobicContact CE1-CG 3.83Å
177A96.1Very high95.6Very high1 Ų148.5 Ų48.51%0.00825%0.248CC..Hα-helixtrans-61-38.5174.900000112.1A122 I124 L173 E174 K175 P181 F186A122-A177 HydrophobicContact CB-CB 3.75Å; A122-A177 WeakPolarHBondContact CB-O 3.27Å; I124-A177 HydrophobicContact CD1-CB 3.84Å; I124-A177 HydrophobicContact CG1-CB 3.67Å; L173-A177 WeakPolarHBondContact O-CB 3.5Å; L173-A177 PolarHBondContact O-N 3.49Å; E174-A177 PolarHBondContact O-N 3.5Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-A177 PolarHBondContact O-N 3.44Å; A177-P181 WeakPolarHBondContact O-CA 3.21Å; A177-F186 VanDerWaalsContact CA-CD2 3.48Å; A177-F186 VanDerWaalsContact CA-CE2 3.46Å; A177-F186 HydrophobicContact CB-CB 4.07Å; A177-F186 HydrophobicContact CB-CD1 4.32Å; A177-F186 HydrophobicContact CB-CD2 3.71Å; A177-F186 HydrophobicContact CB-CE2 4.21Å; A177-F186 HydrophobicContact CB-CG 3.76Å
178L93.1Very high95.7Very high88 Ų8847.4 Ų47.446%0.46124%0.241SC..Hα-helixtrans-72.2-32.5173.9-71.8167.6000113.3A122 E174 K175 Y176 P181A122-L178 HydrophobicContact CB-CD2 3.91Å; A122-L178 HydrophobicContact CB-CG 4.17Å; E174-L178 PolarHBondContact O-N 3.37Å; E174-L178 VanDerWaalsContact O-N 3.09Å; K175-L178 PolarHBondContact O-N 2.87Å; Y176-L178 VanDerWaalsContact C-N 3.27Å; Y176-L178 PolarHBondContact O-N 3.06Å; L178-P181 WeakPolarHBondContact O-CD 3.39Å
179M93.2Very high95.6Very high102 Ų10241.1 Ų41.150%0.50222%0.217SC..Hα-helixtrans-72.9-30.6177.1-70176.868.300112.9K175 Y176 P181K175-M179 HydrophobicContact CG-SD 4.22Å; K175-M179 WeakPolarHBondContact O-CG 3.36Å; K175-M179 PolarHBondContact O-N 3.39Å; Y176-M179 HydrophobicContact CD1-SD 4.11Å; Y176-M179 HydrophobicContact CE1-SD 4.35Å; Y176-M179 PolarHBondContact O-N 3.25Å; M179-P181 VanDerWaalsContact C-CD 3.44Å
180F93.6Very high95.3Very high45 Ų4543.5 Ų43.520%0.19723%0.231CC..SBendtrans-131.347.6-172.4-54.5-71.6000114.7Y176 A182 T183 V184 F186 M241 L245Y176-F180 HydrophobicContact CD1-CD2 4.13Å; Y176-F180 AromaticContact CD1-CE2 3.76Å; Y176-F180 HydrophobicContact CD1-CE2 3.76Å; Y176-F180 HydrophobicContact CE1-CE2 4.23Å; Y176-F180 WeakPolarHBondContact O-CD2 3.37Å; Y176-F180 PolarHBondContact O-N 2.93Å; F180-A182 VanDerWaalsContact C-N 3.34Å; F180-A182 PolarHBondContact O-N 2.93Å; F180-T183 PolarHBondContact O-N 3.49Å; F180-V184 HydrophobicContact CB-CB 4.28Å; F180-V184 HydrophobicContact CB-CG2 4.18Å; F180-V184 PolarHBondContact O-N 2.84Å; F180-V184 VanDerWaalsContact O-N 3.13Å; F180-F186 HydrophobicContact CB-CE2 4.23Å; F180-F186 HydrophobicContact CB-CZ 4.39Å; F180-M241 HydrophobicContact CB-CE 4.37Å; F180-M241 HydrophobicContact CD2-CE 3.25Å; F180-M241 HydrophobicContact CE2-CE 3.6Å; F180-M241 HydrophobicContact CE2-CG 4.45Å; F180-M241 HydrophobicContact CG-CE 3.91Å; F180-L245 HydrophobicContact CD1-CD1 4.22Å; F180-L245 HydrophobicContact CD1-CD2 4.35Å; F180-L245 HydrophobicContact CE1-CD1 3.64Å; F180-L245 HydrophobicContact CE2-CD1 4.11Å; F180-L245 HydrophobicContact CZ-CD1 3.57Å
181P90.9Very high94.6Very high48 Ų4843.4 Ų43.431%0.31223%0.23SC..THydrogen-bonded Turntrans-67.5-31.6-169.627.7-36.2000113.6R121 A177 L178 M179R121-P181 WeakPolarHBondContact O-CB 3.49Å; A177-P181 WeakPolarHBondContact O-CA 3.21Å; L178-P181 WeakPolarHBondContact O-CD 3.39Å; M179-P181 VanDerWaalsContact C-CD 3.44Å
182A89.5Confident93.5Very high75 Ų7540.4 Ų40.462%0.6222%0.218SC*.THydrogen-bonded Turntrans-84.5-29.4179.200000112.8K142 F180K142-A182 WeakPolarHBondContact CE-O 3.32Å; K142-A182 PolarHBondContact NZ-O 2.95Å; F180-A182 VanDerWaalsContact C-N 3.34Å; F180-A182 PolarHBondContact O-N 2.93Å
183T93.3Very high92Very high74 Ų7448.9 Ų48.945%0.45425%0.253SS..THydrogen-bonded Turntrans-95.3-42.3-165.4-48.50000112.9P143 F180 L245P143-T183 WeakPolarHBondContact CD-O 3.36Å; P143-T183 WeakPolarHBondContact CG-O 3.4Å; F180-T183 PolarHBondContact O-N 3.49Å; T183-L245 HydrophobicContact CG2-CD2 4.15Å
184V96.2Very high90.2Very high3 Ų350.2 Ų50.22%0.01826%0.263CS..  trans-119.9137.6-171-179.60000109.7P143 V145 F180 F186 M241 L244 L245P143-V184 HydrophobicContact CG-CG2 3.99Å; V145-V184 HydrophobicContact CB-CG1 4.23Å; V145-V184 HydrophobicContact CG2-CG1 3.71Å; F180-V184 HydrophobicContact CB-CB 4.28Å; F180-V184 HydrophobicContact CB-CG2 4.18Å; F180-V184 PolarHBondContact O-N 2.84Å; F180-V184 VanDerWaalsContact O-N 3.13Å; V184-F186 HydrophobicContact CB-CD2 4.31Å; V184-F186 HydrophobicContact CB-CE2 3.56Å; V184-F186 HydrophobicContact CB-CZ 3.89Å; V184-F186 HydrophobicContact CG1-CD2 4.15Å; V184-F186 HydrophobicContact CG1-CE1 4.22Å; V184-F186 HydrophobicContact CG1-CE2 3.65Å; V184-F186 HydrophobicContact CG1-CZ 3.7Å; V184-F186 WeakPolarHBondContact O-CD2 3.44Å; V184-M241 HydrophobicContact CB-CE 4.45Å; V184-M241 HydrophobicContact CG1-CE 4.45Å; V184-M241 HydrophobicContact CG2-CE 3.92Å; V184-L244 HydrophobicContact CG1-CD2 4.5Å; V184-L245 HydrophobicContact CG2-CD2 3.73Å
185L96.9Very high88.5Confident26 Ų2655.3 Ų55.314%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-90122.7171.7-175.967000109.6I125 L136 T140 K142 P143 V144 V145 V187I125-L185 HydrophobicContact CD1-CD1 3.76Å; I125-L185 HydrophobicContact CD1-CD2 4.21Å; I125-L185 HydrophobicContact CD1-CG 4.35Å; I125-L185 HydrophobicContact CG1-CD1 4.23Å; L136-L185 HydrophobicContact CD1-CD2 4.04Å; L136-L185 HydrophobicContact CD2-CD2 4.12Å; L136-L185 HydrophobicContact CG-CD2 4.1Å; T140-L185 HydrophobicContact CG2-CD2 4.33Å; K142-L185 HydrophobicContact CB-CB 4.33Å; P143-L185 PolarHBondContact O-N 3.43Å; V144-L185 VanDerWaalsContact CA-O 3.29Å; V144-L185 WeakPolarHBondContact CA-O 3.47Å; V144-L185 WeakPolarHBondContact CG1-O 3.32Å; V144-L185 HydrophobicContact CG2-CB 4.26Å; V144-L185 HydrophobicContact CG2-CD2 4.34Å; V145-L185 PolarHBondContact N-O 2.98Å; L185-V187 HydrophobicContact CG-CG2 4.46Å
186F98Very high87.2Confident1 Ų153.5 Ų53.50%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-101.1133.9179.6-68.2-92.6000111I124 I125 V145 L173 Y176 A177 F180 V184 M241I124-F186 WeakPolarHBondContact CA-O 3.34Å; I124-F186 HydrophobicContact CG1-CB 4.04Å; I125-F186 PolarHBondContact N-O 3.17Å; V145-F186 HydrophobicContact CB-CD1 3.82Å; V145-F186 HydrophobicContact CB-CE1 3.84Å; V145-F186 HydrophobicContact CG1-CD1 4.11Å; V145-F186 HydrophobicContact CG1-CE1 4.12Å; V145-F186 HydrophobicContact CG2-CE1 4.15Å; V145-F186 CarbonylContact O-C 3.6Å; V145-F186 WeakPolarHBondContact O-CA 3.35Å; L173-F186 HydrophobicContact CD1-CB 4.48Å; L173-F186 HydrophobicContact CD1-CD1 3.77Å; L173-F186 HydrophobicContact CG-CD1 4.43Å; Y176-F186 VanDerWaalsContact C-CZ 3.43Å; Y176-F186 VanDerWaalsContact O-CZ 3.3Å; Y176-F186 WeakPolarHBondContact O-CZ 3.45Å; A177-F186 VanDerWaalsContact CA-CD2 3.48Å; A177-F186 VanDerWaalsContact CA-CE2 3.46Å; A177-F186 HydrophobicContact CB-CB 4.07Å; A177-F186 HydrophobicContact CB-CD1 4.32Å; A177-F186 HydrophobicContact CB-CD2 3.71Å; A177-F186 HydrophobicContact CB-CE2 4.21Å; A177-F186 HydrophobicContact CB-CG 3.76Å; F180-F186 HydrophobicContact CB-CE2 4.23Å; F180-F186 HydrophobicContact CB-CZ 4.39Å; V184-F186 HydrophobicContact CB-CD2 4.31Å; V184-F186 HydrophobicContact CB-CE2 3.56Å; V184-F186 HydrophobicContact CB-CZ 3.89Å; V184-F186 HydrophobicContact CG1-CD2 4.15Å; V184-F186 HydrophobicContact CG1-CE1 4.22Å; V184-F186 HydrophobicContact CG1-CE2 3.65Å; V184-F186 HydrophobicContact CG1-CZ 3.7Å; V184-F186 WeakPolarHBondContact O-CD2 3.44Å; F186-M241 HydrophobicContact CE1-CE 4.44Å; F186-M241 HydrophobicContact CZ-CE 3.86Å
187V97.5Very high86.2Confident3 Ų358.9 Ų58.92%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-127.8127.4-175.9-177.20000109.6I125 V127 L136 V144 V145 K146 L147 L185I125-V187 CarbonylContact O-C 3.38Å; I125-V187 VanDerWaalsContact O-CA 3.28Å; I125-V187 WeakPolarHBondContact O-CA 3.47Å; V127-V187 HydrophobicContact CG1-CG1 4.19Å; V127-V187 HydrophobicContact CG2-CG1 3.67Å; L136-V187 HydrophobicContact CD2-CG1 4.39Å; L136-V187 HydrophobicContact CD2-CG2 3.5Å; V144-V187 HydrophobicContact CG1-CG2 3.67Å; V145-V187 PolarHBondContact O-N 2.89Å; K146-V187 CarbonylContact C-O 3.52Å; K146-V187 VanDerWaalsContact CA-O 3.31Å; K146-V187 WeakPolarHBondContact CA-O 3.21Å; K146-V187 HydrophobicContact CB-CB 4.15Å; K146-V187 HydrophobicContact CD-CG1 4.37Å; K146-V187 HydrophobicContact CG-CB 3.91Å; K146-V187 HydrophobicContact CG-CG1 3.89Å; L147-V187 PolarHBondContact N-O 3.44Å; L185-V187 HydrophobicContact CG-CG2 4.46Å
188K96.6Very high85.6Confident42 Ų4262.3 Ų62.318%0.18333%0.326CS..EExtended strand (participates in β ladder)trans-103.7106.1171-169.3177.7-175.3169.20108.2I124 I125 I126 V127 M149 L173 V190I124-K188 HydrophobicContact CG2-CB 3.87Å; I125-K188 PolarHBondContact O-N 3.39Å; I126-K188 VanDerWaalsContact CA-O 3.32Å; I126-K188 WeakPolarHBondContact CA-O 3.26Å; I126-K188 HydrophobicContact CG1-CB 4.32Å; V127-K188 PolarHBondContact N-O 3.33Å; M149-K188 HydrophobicContact SD-CG 4.2Å; L173-K188 HydrophobicContact CD2-CB 4.08Å; L173-K188 HydrophobicContact CD2-CG 4.43Å; K188-V190 HydrophobicContact CD-CG2 4.32Å; K188-V190 HydrophobicContact CG-CG2 3.91Å; K188-V190 PolarHBondContact O-N 2.82Å
189D94.4Very high85.4Confident0 Ų058.5 Ų58.50%031%0.306CS..EExtended strand (participates in β ladder)trans-96.291.5-175.2-1731.7000109.5V127 K146 L147 T148 M149 R191V127-D189 HydrophobicContact CG2-CB 3.69Å; V127-D189 CarbonylContact O-C 3.59Å; V127-D189 WeakPolarHBondContact O-CA 3.47Å; K146-D189 HydrophobicContact CD-CB 3.93Å; K146-D189 HydrophobicContact CG-CB 3.9Å; K146-D189 IonicContact NZ-OD2 3.54Å; K146-D189 PolarHBondContact NZ-OD2 3.13Å; L147-D189 PolarHBondContact O-N 3.1Å; T148-D189 CarbonylContact C-O 3.58Å; T148-D189 WeakPolarHBondContact CA-O 3.49Å; M149-D189 PolarHBondContact N-O 2.88Å; D189-R191 IonicContact OD1-CZ 3.51Å; D189-R191 IonicContact OD1-NE 2.83Å; D189-R191 IonicContact OD1-NH1 2.85Å; D189-R191 PolarHBondContact OD1-NH1 3.27Å; D189-R191 IonicContact OD1-NH2 3.65Å; D189-R191 PolarHBondContact OD1-NH2 2.75Å; D189-R191 IonicContact OD2-CZ 2.66Å; D189-R191 VanDerWaalsContact OD2-CZ 3.32Å; D189-R191 IonicContact OD2-NH1 3.7Å; D189-R191 IonicContact OD2-NH2 2.7Å; D189-R191 PolarHBondContact OD2-NH2 3.02Å
190V91.2Very high85.4Confident49 Ų4953.7 Ų53.730%0.29728%0.282SS..EExtended strand (participates in β ladder)trans-92.6101.5-174.4-1750000109.2I126 V127 K128 K188I126-V190 HydrophobicContact CG2-CG2 3.98Å; V127-V190 PolarHBondContact O-N 3.34Å; K128-V190 WeakPolarHBondContact CA-O 3.42Å; K188-V190 HydrophobicContact CD-CG2 4.32Å; K188-V190 HydrophobicContact CG-CG2 3.91Å; K188-V190 PolarHBondContact O-N 2.82Å
191R83.3Confident85.5Confident13 Ų1352 Ų525%0.04928%0.275CS..  trans-88129.4-178.8-68.8-73.3-168.3-103-19.6110.5K128 C129 T148 M149 N150 D189 Q196K128-R191 PolarHBondContact O-NH1 2.87Å; K128-R191 VanDerWaalsContact O-NH1 3.13Å; C129-R191 PolarHBondContact O-NH1 3.16Å; T148-R191 HydrophobicContact CG2-CG 4.27Å; M149-R191 PolarHBondContact O-N 3.25Å; N150-R191 HydrophobicContact CB-CB 3.91Å; N150-R191 PolarHBondContact OD1-O 3.33Å; D189-R191 IonicContact OD1-CZ 3.51Å; D189-R191 IonicContact OD1-NE 2.83Å; D189-R191 IonicContact OD1-NH1 2.85Å; D189-R191 PolarHBondContact OD1-NH1 3.27Å; D189-R191 IonicContact OD1-NH2 3.65Å; D189-R191 PolarHBondContact OD1-NH2 2.75Å; D189-R191 IonicContact OD2-CZ 2.66Å; D189-R191 VanDerWaalsContact OD2-CZ 3.32Å; D189-R191 IonicContact OD2-NH1 3.7Å; D189-R191 IonicContact OD2-NH2 2.7Å; D189-R191 PolarHBondContact OD2-NH2 3.02Å; R191-Q196 VanDerWaalsContact NE-OE1 3.16Å
192D73.5Confident85.8Confident55 Ų5549.8 Ų49.829%0.29426%0.26SS..  trans-109.6124.8168.7-66.3-16.8000108.9K128 Y152 S194K128-D192 WeakPolarHBondContact CE-OD2 3.29Å; K128-D192 IonicContact NZ-OD2 3.78Å; K128-D192 PolarHBondContact NZ-OD2 3.2Å; Y152-D192 HydrophobicContact CD2-CB 4.45Å; Y152-D192 HydrophobicContact CE2-CB 4.45Å; Y152-D192 WeakPolarHBondContact CE2-OD1 3.46Å; D192-S194 PolarHBondContact O-N 3.27Å
193K66.7Low86.2Confident188 Ų18846.2 Ų46.282%0.81723%0.231SC*.SBendtrans53.320.4166.3-55.5-179.3179-179.10115.7
194S60.6Low86.4Confident29 Ų2942.8 Ų42.820%0.20321%0.209CC..  trans-74.8142.5179.257.90000110.7D192 Q196D192-S194 PolarHBondContact O-N 3.27Å; S194-Q196 PolarHBondContact O-N 3.18Å
195E60.8Low86.4Confident194 Ų19443.1 Ų43.191%0.90721%0.21SC*.SBendtrans-59.6-3.2171.6-61.8177.1171.800114.1
196Q68.3Low86.4Confident72 Ų7242.4 Ų42.434%0.33621%0.207SC..  trans-77.6133.2179.4-85.1146.240.500111.6N150 N153 R191 S194 E198N150-Q196 PolarHBondContact ND2-O 3.45Å; N153-Q196 PolarHBondContact ND2-O 3.34Å; R191-Q196 VanDerWaalsContact NE-OE1 3.16Å; S194-Q196 PolarHBondContact O-N 3.18Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 VanDerWaalsContact CB-OE2 3.27Å; Q196-E198 WeakPolarHBondContact CB-OE2 3.31Å
197N76.1Confident86.1Confident128 Ų12848.7 Ų48.768%0.68423%0.231SC*.  trans-82.5-10.7-171-70.9-30.8000113.4I199N197-I199 PolarHBondContact O-N 2.8Å
198E83.6Confident85.8Confident74 Ų7450.1 Ų50.135%0.34625%0.247SC..  trans-68.8119.6-178.6-59.692.2145.900110.5T148 N150 Q196T148-E198 HydrophobicContact CG2-CB 4.36Å; N150-E198 WeakPolarHBondContact CB-O 3.46Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 VanDerWaalsContact CB-OE2 3.27Å; Q196-E198 WeakPolarHBondContact CB-OE2 3.31Å
199I88.7Confident85.6Confident8 Ų851 Ų514%0.04125%0.252CS..SBendtrans-92.5-53.6-180-66159.5000110.4M149 N150 N153 F156 N197 I217 I228 V230M149-I199 CarbonylContact C-O 3.54Å; M149-I199 WeakPolarHBondContact CA-O 3.29Å; N150-I199 PolarHBondContact N-O 2.92Å; N153-I199 HydrophobicContact CB-CG1 3.97Å; F156-I199 HydrophobicContact CB-CD1 4Å; F156-I199 HydrophobicContact CB-CG1 4.33Å; F156-I199 HydrophobicContact CB-CG2 4.06Å; F156-I199 HydrophobicContact CD2-CG2 3.87Å; F156-I199 HydrophobicContact CG-CG2 4.07Å; N197-I199 PolarHBondContact O-N 2.8Å; I199-I217 HydrophobicContact CB-CG2 3.92Å; I199-I217 HydrophobicContact CD1-CG2 4.27Å; I199-I217 HydrophobicContact CG2-CG2 4.24Å; I199-I228 HydrophobicContact CD1-CB 4.12Å; I199-I228 HydrophobicContact CD1-CD1 4.07Å; I199-I228 HydrophobicContact CD1-CG2 3.59Å; I199-V230 HydrophobicContact CG2-CG2 3.69Å
200C93.7Very high85.6Confident1 Ų156.2 Ų56.21%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-147.4116.8177.5-170.70000108.1T148 L166 C216 V230T148-C200 VanDerWaalsContact O-CA 3.28Å; T148-C200 WeakPolarHBondContact O-CA 3.32Å; L166-C200 HydrophobicContact CD1-CB 4.33Å; C200-C216 HydrophobicContact CB-CB 3.96Å; C200-C216 WeakPolarHBondContact O-CB 3.37Å; C200-C216 PolarHBondContact O-N 3Å; C200-V230 HydrophobicContact CB-CG1 4.23Å; C200-V230 HydrophobicContact CB-CG2 4.06Å
201E95.3Very high85.8Confident9 Ų954.1 Ų54.14%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-143.2129.2-176.1-175.3-153.552.600109.6T148 S203 R210 S213 I214T148-E201 PolarHBondContact N-O 2.94Å; T148-E201 PolarHBondContact O-N 3.44Å; E201-S203 VanDerWaalsContact CD-OG 3.27Å; E201-S203 PolarHBondContact OE1-OG 3.28Å; E201-R210 IonicContact OE1-NH1 3.28Å; E201-R210 IonicContact OE2-NH1 2.99Å; E201-R210 PolarHBondContact OE2-NH1 3.35Å; E201-R210 VanDerWaalsContact OE2-NH1 3.14Å; E201-S213 WeakPolarHBondContact OE2-CB 3.46Å; E201-S213 PolarHBondContact OE2-OG 3.33Å; E201-I214 WeakPolarHBondContact CA-O 3.23Å
202W98.1Very high86.4Confident1 Ų154.4 Ų54.40%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-87.3132.1162.9-70.770.3000109.4V145 K146 L147 N169 C172 L173 Y176 Y204 S213 I214 I237V145-W202 HydrophobicContact CG1-CE3 3.57Å; V145-W202 HydrophobicContact CG1-CZ3 3.6Å; K146-W202 CarbonylContact O-C 3.57Å; K146-W202 WeakPolarHBondContact O-CA 3.48Å; L147-W202 HydrophobicContact CD1-CD2 4.31Å; L147-W202 HydrophobicContact CD1-CG 4.19Å; N169-W202 WeakPolarHBondContact O-CZ2 3.43Å; N169-W202 PolarHBondContact OD1-NE1 3.38Å; C172-W202 HydrophobicContact CB-CH2 4.23Å; C172-W202 HydrophobicContact CB-CZ2 4.03Å; L173-W202 HydrophobicContact CB-CH2 3.89Å; L173-W202 HydrophobicContact CB-CZ2 4.37Å; L173-W202 HydrophobicContact CD1-CH2 4.06Å; L173-W202 HydrophobicContact CD1-CZ3 3.9Å; Y176-W202 HydrophobicContact CD2-CH2 4.34Å; W202-Y204 HydrophobicContact CB-CE2 3.87Å; W202-S213 CarbonylContact O-C 3.55Å; W202-S213 WeakPolarHBondContact O-CA 3.48Å; W202-S213 WeakPolarHBondContact O-CB 3.35Å; W202-I214 HydrophobicContact CB-CB 4.29Å; W202-I214 PolarHBondContact N-O 3.13Å; W202-I214 PolarHBondContact O-N 3.43Å; W202-I237 HydrophobicContact CD2-CD1 4.43Å; W202-I237 HydrophobicContact CD2-CG1 4.29Å; W202-I237 HydrophobicContact CD2-CG2 4.02Å; W202-I237 HydrophobicContact CE3-CG2 3.96Å; W202-I237 HydrophobicContact CG-CG1 4.28Å; W202-I237 HydrophobicContact CH2-CG2 3.91Å; W202-I237 HydrophobicContact CZ2-CD1 4.17Å; W202-I237 HydrophobicContact CZ2-CG2 3.99Å; W202-I237 HydrophobicContact CZ3-CG2 3.91Å
203S97.2Very high87.4Confident0 Ų053.6 Ų53.60%026%0.258CS..EExtended strand (participates in β ladder)trans-128.5133.6174.7-83.50000110.3K146 E201 R210K146-S203 PolarHBondContact N-O 2.86Å; K146-S203 PolarHBondContact O-N 3.31Å; E201-S203 VanDerWaalsContact CD-OG 3.27Å; E201-S203 PolarHBondContact OE1-OG 3.28Å; S203-R210 PolarHBondContact OG-NH1 3.41Å; S203-R210 VanDerWaalsContact OG-NH1 3.16Å
204Y98Very high88.9Confident2 Ų244.7 Ų44.71%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-113.6128.2-175.8-58.2-101.4000109.2V145 W202 R210 L211 K212 I214 I237 E240 M241 L244V145-Y204 HydrophobicContact CG1-CE1 4.41Å; V145-Y204 HydrophobicContact CG2-CD1 3.91Å; V145-Y204 HydrophobicContact CG2-CE1 4.18Å; W202-Y204 HydrophobicContact CB-CE2 3.87Å; Y204-R210 CarbonylContact O-C 3.58Å; Y204-L211 PolarHBondContact O-N 3.47Å; Y204-K212 HydrophobicContact CD2-CB 4.42Å; Y204-K212 PolarHBondContact N-O 3.28Å; Y204-I214 HydrophobicContact CE2-CD1 3.87Å; Y204-I214 HydrophobicContact CE2-CG1 4.21Å; Y204-I237 WeakPolarHBondContact OH-CA 3.39Å; Y204-I237 PolarHBondContact OH-O 3.5Å; Y204-E240 HydrophobicContact CD1-CB 4.32Å; Y204-E240 HydrophobicContact CD2-CB 4.07Å; Y204-E240 HydrophobicContact CE1-CB 3.91Å; Y204-E240 HydrophobicContact CE2-CB 3.65Å; Y204-E240 HydrophobicContact CE2-CG 4.4Å; Y204-E240 HydrophobicContact CG-CB 4.4Å; Y204-M241 HydrophobicContact CE1-CB 4.33Å; Y204-L244 HydrophobicContact CD1-CB 4.26Å; Y204-L244 HydrophobicContact CD1-CD2 3.99Å
205Y96.9Very high90.5Very high10 Ų1047.4 Ų47.44%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-129.4145.6-176.8-53.4-103.8000111.8L137 P143 V144 K146 H209 R210L137-Y205 HydrophobicContact CD1-CD1 3.94Å; L137-Y205 HydrophobicContact CD1-CE1 3.63Å; L137-Y205 HydrophobicContact CD1-CE2 4.23Å; L137-Y205 HydrophobicContact CD1-CG 4.38Å; L137-Y205 HydrophobicContact CD2-CD1 3.89Å; L137-Y205 HydrophobicContact CD2-CD2 3.76Å; L137-Y205 HydrophobicContact CD2-CE1 4.35Å; L137-Y205 HydrophobicContact CD2-CE2 4.21Å; L137-Y205 HydrophobicContact CD2-CG 3.58Å; P143-Y205 CarbonylContact C-O 3.43Å; P143-Y205 WeakPolarHBondContact CA-O 3.43Å; V144-Y205 HydrophobicContact CB-CD2 4.45Å; V144-Y205 PolarHBondContact N-O 3.13Å; V144-Y205 PolarHBondContact O-N 3.23Å; K146-Y205 HydrophobicContact CB-CE2 4.02Å; Y205-H209 CarbonylContact C-O 3.57Å; Y205-H209 WeakPolarHBondContact CA-O 3.42Å; Y205-R210 VanDerWaalsContact CD1-CA 3.49Å; Y205-R210 HydrophobicContact CD1-CB 3.69Å; Y205-R210 HydrophobicContact CD1-CG 4.09Å; Y205-R210 HydrophobicContact CE1-CB 3.52Å; Y205-R210 HydrophobicContact CE1-CG 3.71Å; Y205-R210 PolarHBondContact OH-NE 2.97Å; Y205-R210 PolarHBondContact OH-NH2 3.29Å
206C95.1Very high92.1Very high11 Ų1138.1 Ų38.17%0.07419%0.189CC..EExtended strand (participates in β ladder)trans-132.7126.7169.6-1750000108.5G208 H209 L211 L244 L257C206-G208 PolarHBondContact O-N 3.15Å; C206-G208 VanDerWaalsContact O-N 3.16Å; C206-H209 PolarHBondContact N-O 2.99Å; C206-H209 WeakPolarHBondContact O-CB 3.34Å; C206-H209 PolarHBondContact O-N 3.23Å; C206-L211 HydrophobicContact CB-CD1 3.74Å; C206-L211 HydrophobicContact CB-CD2 4.43Å; C206-L211 HydrophobicContact CB-CG 4.15Å; C206-L244 HydrophobicContact CB-CD1 4.35Å; C206-L257 HydrophobicContact CB-CD2 4.35Å
207R92Very high93.3Very high133 Ų13337 Ų3750%0.50218%0.184SC..THydrogen-bonded Turntrans50.140-178.4-64.3170.155142.32.5113.3H209 D254 L257R207-H209 PolarHBondContact O-CD2 3.45Å; R207-H209 PolarHBondContact O-N 3.42Å; R207-D254 IonicContact CZ-OD1 3.74Å; R207-D254 IonicContact NE-OD1 2.69Å; R207-D254 PolarHBondContact NE-OD1 2.94Å; R207-D254 IonicContact NH2-OD1 2.89Å; R207-D254 PolarHBondContact NH2-OD1 3.1Å; R207-D254 IonicContact NH2-OD2 2.62Å; R207-D254 PolarHBondContact NH2-OD2 3.31Å; R207-L257 HydrophobicContact CB-CD1 4.22Å; R207-L257 HydrophobicContact CG-CD1 4.43Å
208G91.4Very high93.9Very high34 Ų3432.1 Ų32.135%0.35116%0.162SC..THydrogen-bonded Turntrans80-15-178.300000115.6L137 C206L137-G208 WeakPolarHBondContact O-CA 3.44Å; C206-G208 PolarHBondContact O-N 3.15Å; C206-G208 VanDerWaalsContact O-N 3.16Å
209H92.2Very high94.1Very high61 Ų6132 Ų3228%0.28216%0.163SC..EExtended strand (participates in β ladder)trans-80.4129.6175.7-63.3-83.4000110.9Y205 C206 R207 L211Y205-H209 CarbonylContact C-O 3.57Å; Y205-H209 WeakPolarHBondContact CA-O 3.42Å; C206-H209 PolarHBondContact N-O 2.99Å; C206-H209 WeakPolarHBondContact O-CB 3.34Å; C206-H209 PolarHBondContact O-N 3.23Å; R207-H209 PolarHBondContact O-CD2 3.45Å; R207-H209 PolarHBondContact O-N 3.42Å; H209-L211 PolarHBondContact O-N 2.94Å
210R95Very high93.7Very high109 Ų10936.1 Ų36.141%0.41118%0.182SC..EExtended strand (participates in β ladder)trans-75.7116.2172.8-167-172.1-60.7-147.93108.8E201 S203 Y204 Y205 A261E201-R210 IonicContact OE1-NH1 3.28Å; E201-R210 IonicContact OE2-NH1 2.99Å; E201-R210 PolarHBondContact OE2-NH1 3.35Å; E201-R210 VanDerWaalsContact OE2-NH1 3.14Å; S203-R210 PolarHBondContact OG-NH1 3.41Å; S203-R210 VanDerWaalsContact OG-NH1 3.16Å; Y204-R210 CarbonylContact O-C 3.58Å; Y205-R210 VanDerWaalsContact CD1-CA 3.49Å; Y205-R210 HydrophobicContact CD1-CB 3.69Å; Y205-R210 HydrophobicContact CD1-CG 4.09Å; Y205-R210 HydrophobicContact CE1-CB 3.52Å; Y205-R210 HydrophobicContact CE1-CG 3.71Å; Y205-R210 PolarHBondContact OH-NE 2.97Å; Y205-R210 PolarHBondContact OH-NH2 3.29Å; R210-A261 WeakPolarHBondContact O-CB 3.28Å
211L95.3Very high93Very high4 Ų444.1 Ų44.12%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-85-37.7179.4-59.2-175.6000112.2Y204 C206 H209 L244 V247 L257 A261Y204-L211 PolarHBondContact O-N 3.47Å; C206-L211 HydrophobicContact CB-CD1 3.74Å; C206-L211 HydrophobicContact CB-CD2 4.43Å; C206-L211 HydrophobicContact CB-CG 4.15Å; H209-L211 PolarHBondContact O-N 2.94Å; L211-L244 HydrophobicContact CD1-CD1 3.94Å; L211-V247 HydrophobicContact CD1-CB 4.3Å; L211-V247 HydrophobicContact CD1-CG1 3.87Å; L211-L257 HydrophobicContact CD2-CB 4.48Å; L211-L257 HydrophobicContact CD2-CD2 4.38Å; L211-A261 HydrophobicContact CD2-CB 4.44Å
212K95.8Very high91.9Very high19 Ų1945.9 Ų45.98%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-160.2153.7-178.7-171.461.2157.4-176.10110.7Y204 E240 K264 C267Y204-K212 HydrophobicContact CD2-CB 4.42Å; Y204-K212 PolarHBondContact N-O 3.28Å; K212-E240 HydrophobicContact CG-CG 4.04Å; K212-K264 HydrophobicContact CB-CD 4.29Å; K212-K264 HydrophobicContact CD-CB 4.24Å; K212-K264 PolarHBondContact NZ-O 3.12Å; K212-C267 PolarHBondContact NZ-SG 3.2Å
213S95.8Very high91Very high38 Ų3852 Ų5227%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-126.9153.9158.957.40000112.1E201 W202E201-S213 WeakPolarHBondContact OE2-CB 3.46Å; E201-S213 PolarHBondContact OE2-OG 3.33Å; W202-S213 CarbonylContact O-C 3.55Å; W202-S213 WeakPolarHBondContact O-CA 3.48Å; W202-S213 WeakPolarHBondContact O-CB 3.35Å
214I96.4Very high89.8Confident1 Ų160 Ų601%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-124.2107.1173.5-55.2171.1000106.5E201 W202 Y204 C216 P233 R236 I237 E240E201-I214 WeakPolarHBondContact CA-O 3.23Å; W202-I214 HydrophobicContact CB-CB 4.29Å; W202-I214 PolarHBondContact N-O 3.13Å; W202-I214 PolarHBondContact O-N 3.43Å; Y204-I214 HydrophobicContact CE2-CD1 3.87Å; Y204-I214 HydrophobicContact CE2-CG1 4.21Å; I214-C216 PolarHBondContact O-N 3.41Å; I214-P233 HydrophobicContact CG2-CG 3.81Å; I214-R236 HydrophobicContact CD1-CB 4.07Å; I214-R236 WeakPolarHBondContact CD1-O 3.48Å; I214-I237 HydrophobicContact CD1-CG1 4.16Å; I214-E240 HydrophobicContact CD1-CB 4.19Å; I214-E240 HydrophobicContact CD1-CG 3.88Å; I214-E240 HydrophobicContact CG1-CG 4.33Å
215D94.5Very high88.7Confident86 Ų8667 Ų6746%0.4634%0.337SS..EExtended strand (participates in β ladder)trans-70117.7168.3-68.3-47.4000109.2I217D215-I217 HydrophobicContact CB-CG1 4.18Å; D215-I217 PolarHBondContact O-N 3.05Å
216C95.1Very high87.9Confident0 Ų073 Ų730%036%0.36CS..  trans-91.644.9-180-66.90000110.8C200 I214 V230 E231C200-C216 HydrophobicContact CB-CB 3.96Å; C200-C216 WeakPolarHBondContact O-CB 3.37Å; C200-C216 PolarHBondContact O-N 3Å; I214-C216 PolarHBondContact O-N 3.41Å; C216-V230 WeakPolarHBondContact O-CA 3.3Å; C216-E231 WeakPolarHBondContact CB-O 3.47Å; C216-E231 PolarHBondContact O-N 3.09Å
217I92.5Very high87.3Confident47 Ų4775.2 Ų75.224%0.24137%0.371CS..EExtended strand (participates in β ladder)trans-133.2143.8179.158.3166.1000111.7I199 D215 I228 K229 V230I199-I217 HydrophobicContact CB-CG2 3.92Å; I199-I217 HydrophobicContact CD1-CG2 4.27Å; I199-I217 HydrophobicContact CG2-CG2 4.24Å; D215-I217 HydrophobicContact CB-CG1 4.18Å; D215-I217 PolarHBondContact O-N 3.05Å; I217-I228 HydrophobicContact CB-CG2 3.67Å; I217-I228 HydrophobicContact CD1-CG2 4.01Å; I217-I228 HydrophobicContact CG1-CG2 4.41Å; I217-I228 HydrophobicContact CG2-CG2 3.83Å; I217-K229 CarbonylContact C-O 3.6Å; I217-K229 VanDerWaalsContact CA-O 3.23Å; I217-K229 WeakPolarHBondContact CA-O 3.42Å; I217-V230 HydrophobicContact CG2-CG2 4.19Å
218A89.9Confident87.1Confident27 Ų2769.3 Ų69.322%0.22335%0.349CS..EExtended strand (participates in β ladder)trans-117.6137.3167.100000110.2I228 K229 E231A218-I228 WeakPolarHBondContact O-CA 3.33Å; A218-K229 PolarHBondContact N-O 3.25Å; A218-K229 PolarHBondContact O-N 3.32Å; A218-E231 VanDerWaalsContact CB-CD 3.42Å; A218-E231 HydrophobicContact CB-CG 3.87Å; A218-E231 VanDerWaalsContact CB-OE1 3.23Å; A218-E231 WeakPolarHBondContact CB-OE1 3.44Å
219I86.5Confident87Confident71 Ų7170.9 Ų70.936%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-95.6114.9176.1-60.1158.8000107.6Y221 R226 I228I219-Y221 HydrophobicContact CB-CE2 4.47Å; I219-Y221 HydrophobicContact CG2-CD2 4.16Å; I219-Y221 HydrophobicContact CG2-CE1 4.45Å; I219-Y221 HydrophobicContact CG2-CE2 3.62Å; I219-R226 HydrophobicContact CG2-CG 3.59Å; I219-R226 VanDerWaalsContact CG2-NE 3.34Å; I219-I228 HydrophobicContact CG1-CG1 4.32Å
220H81.5Confident87.1Confident95 Ų9568 Ų6844%0.4433%0.333SS..EExtended strand (participates in β ladder)trans-103.8118.9173.9-169-82.2000109.6L227H220-L227 HydrophobicContact CB-CB 4.47Å; H220-L227 PolarHBondContact N-O 3.27Å; H220-L227 PolarHBondContact O-N 3.07Å
221Y78.8Confident87.1Confident168 Ų16867.3 Ų67.366%0.65933%0.334SS*.EExtended strand (participates in β ladder)trans-84.8115.8172.5-64.8-90.6000108.5I219 R226I219-Y221 HydrophobicContact CB-CE2 4.47Å; I219-Y221 HydrophobicContact CG2-CD2 4.16Å; I219-Y221 HydrophobicContact CG2-CE1 4.45Å; I219-Y221 HydrophobicContact CG2-CE2 3.62Å; Y221-R226 HydrophobicContact CE1-CG 4.36Å
222S71.9Confident87.1Confident47 Ų4768.8 Ų68.833%0.32934%0.341SS..  trans-97.5164.6162.870.40000109.2E224 K225S222-E224 PolarHBondContact O-N 3.07Å; S222-E224 VanDerWaalsContact O-N 3.12Å; S222-K225 PolarHBondContact N-O 2.92Å; S222-K225 PolarHBondContact OG-N 3.3Å; S222-K225 PolarHBondContact OG-O 2.92Å
223S78.5Confident87.2Confident128 Ų12869 Ų6990%0.89534%0.344SS*.SBendtrans-55.6-26.4174.8460000113.3
224E73.1Confident87.2Confident168 Ų16872.2 Ų72.279%0.78536%0.355SS*.SBendtrans-102.6-37.1-173.9-63.5179.7-173.100113.3S222S222-E224 PolarHBondContact O-N 3.07Å; S222-E224 VanDerWaalsContact O-N 3.12Å
225K75.6Confident87.3Confident150 Ų15077 Ų7765%0.65239%0.388SS*.  trans-152.5151.8-172.3-63-175.7-176.8171.80113.2S222S222-K225 PolarHBondContact N-O 2.92Å; S222-K225 PolarHBondContact OG-N 3.3Å; S222-K225 PolarHBondContact OG-O 2.92Å
226R79.2Confident87.4Confident135 Ų13578.6 Ų78.651%0.50939%0.388SS..EExtended strand (participates in β ladder)trans-76.1119.7163.5-178.4-178.1172.4-171.4-3.2108.7I219 Y221I219-R226 HydrophobicContact CG2-CG 3.59Å; I219-R226 VanDerWaalsContact CG2-NE 3.34Å; Y221-R226 HydrophobicContact CE1-CG 4.36Å
227L82.4Confident87.6Confident59 Ų5978.6 Ų78.631%0.30939%0.388SS..EExtended strand (participates in β ladder)trans-109.8131178-62.4174.2000109.1S157 H220S157-L227 WeakPolarHBondContact OG-CA 3.15Å; S157-L227 WeakPolarHBondContact OG-CB 3.12Å; S157-L227 VanDerWaalsContact OG-CD2 3.29Å; S157-L227 WeakPolarHBondContact OG-CD2 3.46Å; H220-L227 HydrophobicContact CB-CB 4.47Å; H220-L227 PolarHBondContact N-O 3.27Å; H220-L227 PolarHBondContact O-N 3.07Å
228I87.4Confident87.8Confident8 Ų880.6 Ų80.64%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-103.7120.2171.9-57.2-173.9000109.3V155 S157 I199 I217 A218 I219V155-I228 HydrophobicContact CB-CD1 4.03Å; V155-I228 HydrophobicContact CG1-CD1 3.28Å; V155-I228 HydrophobicContact CG1-CG1 3.82Å; V155-I228 WeakPolarHBondContact O-CB 3.21Å; S157-I228 WeakPolarHBondContact CB-O 3.39Å; S157-I228 PolarHBondContact N-O 3.07Å; S157-I228 PolarHBondContact OG-N 3.48Å; S157-I228 PolarHBondContact OG-O 2.82Å; I199-I228 HydrophobicContact CD1-CB 4.12Å; I199-I228 HydrophobicContact CD1-CD1 4.07Å; I199-I228 HydrophobicContact CD1-CG2 3.59Å; I217-I228 HydrophobicContact CB-CG2 3.67Å; I217-I228 HydrophobicContact CD1-CG2 4.01Å; I217-I228 HydrophobicContact CG1-CG2 4.41Å; I217-I228 HydrophobicContact CG2-CG2 3.83Å; A218-I228 WeakPolarHBondContact O-CA 3.33Å; I219-I228 HydrophobicContact CG1-CG1 4.32Å
229K90.2Very high88.2Confident68 Ų6885.4 Ų85.430%0.29641%0.414SS..EExtended strand (participates in β ladder)trans-104.7144176.3-61.5179.2-177176.40109.3I217 A218I217-K229 CarbonylContact C-O 3.6Å; I217-K229 VanDerWaalsContact CA-O 3.23Å; I217-K229 WeakPolarHBondContact CA-O 3.42Å; A218-K229 PolarHBondContact N-O 3.25Å; A218-K229 PolarHBondContact O-N 3.32Å
230V93.2Very high88.7Confident1 Ų182.9 Ų82.91%0.00640%0.401CS..EExtended strand (participates in β ladder)trans-84.4135.9170.9165.10000109.1F156 N165 L166 I199 C200 C216 I217F156-V230 HydrophobicContact CD2-CG2 3.68Å; F156-V230 HydrophobicContact CE2-CB 3.74Å; F156-V230 HydrophobicContact CE2-CG2 3.25Å; F156-V230 HydrophobicContact CZ-CG2 4.15Å; N165-V230 HydrophobicContact CB-CG1 4.1Å; N165-V230 WeakPolarHBondContact CB-O 3.2Å; N165-V230 PolarHBondContact ND2-O 2.84Å; L166-V230 HydrophobicContact CB-CG1 4.29Å; I199-V230 HydrophobicContact CG2-CG2 3.69Å; C200-V230 HydrophobicContact CB-CG1 4.23Å; C200-V230 HydrophobicContact CB-CG2 4.06Å; C216-V230 WeakPolarHBondContact O-CA 3.3Å; I217-V230 HydrophobicContact CG2-CG2 4.19Å
231E94.8Very high89.5Confident93 Ų9378.5 Ų78.544%0.43538%0.38SS..  trans-114.1163.3178.1-62.4-162.9145.700111.2N169 C216 A218N169-E231 PolarHBondContact ND2-O 2.94Å; C216-E231 WeakPolarHBondContact CB-O 3.47Å; C216-E231 PolarHBondContact O-N 3.09Å; A218-E231 VanDerWaalsContact CB-CD 3.42Å; A218-E231 HydrophobicContact CB-CG 3.87Å; A218-E231 VanDerWaalsContact CB-OE1 3.23Å; A218-E231 WeakPolarHBondContact CB-OE1 3.44Å
232F96.6Very high90.4Very high36 Ų3674.8 Ų74.816%0.15837%0.371CS..  trans-122.285.3171.4176.9-120.4000109.5N165 R168 C172 E234 I237N165-F232 HydrophobicContact CB-CB 4.19Å; R168-F232 HydrophobicContact CB-CB 4.23Å; R168-F232 HydrophobicContact CB-CD1 3.86Å; R168-F232 HydrophobicContact CB-CD2 4.06Å; R168-F232 HydrophobicContact CB-CE1 4.22Å; R168-F232 HydrophobicContact CB-CE2 4.43Å; R168-F232 HydrophobicContact CB-CG 3.77Å; R168-F232 HydrophobicContact CB-CZ 4.49Å; C172-F232 HydrophobicContact CB-CE2 3.65Å; C172-F232 HydrophobicContact CB-CZ 3.92Å; F232-E234 HydrophobicContact CD1-CB 4.13Å; F232-E234 HydrophobicContact CE1-CB 3.56Å; F232-E234 HydrophobicContact CE1-CG 3.83Å; F232-E234 HydrophobicContact CZ-CB 3.77Å; F232-E234 HydrophobicContact CZ-CG 3.79Å; F232-E234 PolarHBondContact O-N 2.94Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE2-CD1 3.77Å
233P97Very high91.5Very high24 Ų2474.3 Ų74.316%0.15637%0.368CS..  trans-80.867-178.133.9-36.1000111.4I214 S235 R236 I237I214-P233 HydrophobicContact CG2-CG 3.81Å; P233-S235 PolarHBondContact O-N 2.93Å; P233-R236 HydrophobicContact CB-CB 4.3Å; P233-R236 PolarHBondContact O-N 2.83Å; P233-R236 VanDerWaalsContact O-N 3.07Å; P233-I237 HydrophobicContact CG-CD1 4.3Å; P233-I237 HydrophobicContact CG-CG1 4.39Å; P233-I237 WeakPolarHBondContact O-CG1 3.49Å; P233-I237 PolarHBondContact O-N 3.3Å; P233-I237 VanDerWaalsContact O-N 3.08Å
234E97.3Very high92.4Very high105 Ų10568.2 Ų68.249%0.49133%0.325SS..Hα-helixtrans-48.6-49.3-171.8-171.2172-174.900113.7F232 R236 I237 H238F232-E234 HydrophobicContact CD1-CB 4.13Å; F232-E234 HydrophobicContact CE1-CB 3.56Å; F232-E234 HydrophobicContact CE1-CG 3.83Å; F232-E234 HydrophobicContact CZ-CB 3.77Å; F232-E234 HydrophobicContact CZ-CG 3.79Å; F232-E234 PolarHBondContact O-N 2.94Å; E234-R236 VanDerWaalsContact C-N 3.33Å; E234-R236 PolarHBondContact O-N 2.86Å; E234-I237 PolarHBondContact O-N 2.87Å; E234-H238 PolarHBondContact O-N 3.14Å
235S97.6Very high93.5Very high101 Ų10161.9 Ų61.971%0.70630%0.297SS*.Hα-helixtrans-61.3-40.4-178.1-50.10000112.5P233 H238 E239P233-S235 PolarHBondContact O-N 2.93Å; S235-H238 PolarHBondContact O-N 3.26Å; S235-E239 WeakPolarHBondContact O-CB 3.3Å; S235-E239 PolarHBondContact O-N 3.29Å
236R97Very high94.4Very high119 Ų11957 Ų5745%0.44928%0.281SS..Hα-helixtrans-68.7-40.3178.2-66.517760.9-163.9-1.6111.1I214 P233 E234 H238 E239 E240I214-R236 HydrophobicContact CD1-CB 4.07Å; I214-R236 WeakPolarHBondContact CD1-O 3.48Å; P233-R236 HydrophobicContact CB-CB 4.3Å; P233-R236 PolarHBondContact O-N 2.83Å; P233-R236 VanDerWaalsContact O-N 3.07Å; E234-R236 VanDerWaalsContact C-N 3.33Å; E234-R236 PolarHBondContact O-N 2.86Å; R236-H238 VanDerWaalsContact C-N 3.28Å; R236-H238 PolarHBondContact O-N 2.86Å; R236-E239 PolarHBondContact O-N 3.09Å; R236-E240 WeakPolarHBondContact O-CG 3.04Å; R236-E240 PolarHBondContact O-N 2.99Å; R236-E240 VanDerWaalsContact O-N 3.1Å
237I98.2Very high95.2Very high0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-60.2-43.4176.1-65.4164.6000109.9Y176 W202 Y204 I214 F232 P233 E234 M241Y176-I237 HydrophobicContact CE2-CG2 3.98Å; W202-I237 HydrophobicContact CD2-CD1 4.43Å; W202-I237 HydrophobicContact CD2-CG1 4.29Å; W202-I237 HydrophobicContact CD2-CG2 4.02Å; W202-I237 HydrophobicContact CE3-CG2 3.96Å; W202-I237 HydrophobicContact CG-CG1 4.28Å; W202-I237 HydrophobicContact CH2-CG2 3.91Å; W202-I237 HydrophobicContact CZ2-CD1 4.17Å; W202-I237 HydrophobicContact CZ2-CG2 3.99Å; W202-I237 HydrophobicContact CZ3-CG2 3.91Å; Y204-I237 WeakPolarHBondContact OH-CA 3.39Å; Y204-I237 PolarHBondContact OH-O 3.5Å; I214-I237 HydrophobicContact CD1-CG1 4.16Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE2-CD1 3.77Å; P233-I237 HydrophobicContact CG-CD1 4.3Å; P233-I237 HydrophobicContact CG-CG1 4.39Å; P233-I237 WeakPolarHBondContact O-CG1 3.49Å; P233-I237 PolarHBondContact O-N 3.3Å; P233-I237 VanDerWaalsContact O-N 3.08Å; E234-I237 PolarHBondContact O-N 2.87Å; I237-M241 WeakPolarHBondContact O-CB 3.38Å; I237-M241 PolarHBondContact O-N 3.24Å
238H98.1Very high95.7Very high90 Ų9049.8 Ų49.842%0.41726%0.259SS..Hα-helixtrans-66-47.2178.9-171.890.6000112.8Y176 E234 S235 R236 E240 M241 L242Y176-H238 VanDerWaalsContact OH-CA 3.3Å; Y176-H238 WeakPolarHBondContact OH-CA 3.43Å; Y176-H238 WeakPolarHBondContact OH-CB 3.41Å; Y176-H238 PolarHBondContact OH-ND1 3.47Å; E234-H238 PolarHBondContact O-N 3.14Å; S235-H238 PolarHBondContact O-N 3.26Å; R236-H238 VanDerWaalsContact C-N 3.28Å; R236-H238 PolarHBondContact O-N 2.86Å; H238-E240 PolarHBondContact O-N 3.27Å; H238-M241 WeakPolarHBondContact O-CB 2.98Å; H238-M241 PolarHBondContact O-N 3.19Å; H238-L242 WeakPolarHBondContact NE2-CD1 3.29Å; H238-L242 WeakPolarHBondContact O-CG 3.44Å; H238-L242 PolarHBondContact O-N 2.77Å
239E97.5Very high95.9Very high127 Ų12753.9 Ų53.959%0.59329%0.288SS*.Hα-helixtrans-57.2-47.5178.1-176-177169.500111.7S235 R236 M241 L242 S243S235-E239 WeakPolarHBondContact O-CB 3.3Å; S235-E239 PolarHBondContact O-N 3.29Å; R236-E239 PolarHBondContact O-N 3.09Å; E239-M241 VanDerWaalsContact C-N 3.32Å; E239-M241 PolarHBondContact O-N 3.26Å; E239-L242 PolarHBondContact O-N 3.13Å; E239-S243 WeakPolarHBondContact O-CB 3.45Å; E239-S243 PolarHBondContact O-N 2.91Å
240E97.5Very high95.9Very high19 Ų1956.3 Ų56.39%0.08930%0.295CS..Hα-helixtrans-70.1-30.3179.7-67.5-60.716900112.5Y204 K212 I214 R236 H238 S243 L244 K264Y204-E240 HydrophobicContact CD1-CB 4.32Å; Y204-E240 HydrophobicContact CD2-CB 4.07Å; Y204-E240 HydrophobicContact CE1-CB 3.91Å; Y204-E240 HydrophobicContact CE2-CB 3.65Å; Y204-E240 HydrophobicContact CE2-CG 4.4Å; Y204-E240 HydrophobicContact CG-CB 4.4Å; K212-E240 HydrophobicContact CG-CG 4.04Å; I214-E240 HydrophobicContact CD1-CB 4.19Å; I214-E240 HydrophobicContact CD1-CG 3.88Å; I214-E240 HydrophobicContact CG1-CG 4.33Å; R236-E240 WeakPolarHBondContact O-CG 3.04Å; R236-E240 PolarHBondContact O-N 2.99Å; R236-E240 VanDerWaalsContact O-N 3.1Å; H238-E240 PolarHBondContact O-N 3.27Å; E240-S243 PolarHBondContact O-N 3.23Å; E240-L244 WeakPolarHBondContact O-CB 3.43Å; E240-L244 PolarHBondContact O-N 3.08Å; E240-K264 IonicContact OE2-NZ 3.14Å; E240-K264 PolarHBondContact OE2-NZ 3.44Å
241M97.9Very high95.7Very high3 Ų364.5 Ų64.52%0.01534%0.339CS..Hα-helixtrans-64.1-47.8172.2-175.458.4-175.300111.6V145 Y176 F180 V184 F186 Y204 I237 H238 E239 S243 L244 L245V145-M241 HydrophobicContact CG2-SD 3.84Å; Y176-M241 HydrophobicContact CD1-CE 4.47Å; Y176-M241 HydrophobicContact CD1-CG 4Å; Y176-M241 HydrophobicContact CE1-CB 4.37Å; Y176-M241 HydrophobicContact CE1-CG 3.83Å; F180-M241 HydrophobicContact CB-CE 4.37Å; F180-M241 HydrophobicContact CD2-CE 3.25Å; F180-M241 HydrophobicContact CE2-CE 3.6Å; F180-M241 HydrophobicContact CE2-CG 4.45Å; F180-M241 HydrophobicContact CG-CE 3.91Å; V184-M241 HydrophobicContact CB-CE 4.45Å; V184-M241 HydrophobicContact CG1-CE 4.45Å; V184-M241 HydrophobicContact CG2-CE 3.92Å; F186-M241 HydrophobicContact CE1-CE 4.44Å; F186-M241 HydrophobicContact CZ-CE 3.86Å; Y204-M241 HydrophobicContact CE1-CB 4.33Å; I237-M241 WeakPolarHBondContact O-CB 3.38Å; I237-M241 PolarHBondContact O-N 3.24Å; H238-M241 WeakPolarHBondContact O-CB 2.98Å; H238-M241 PolarHBondContact O-N 3.19Å; E239-M241 VanDerWaalsContact C-N 3.32Å; E239-M241 PolarHBondContact O-N 3.26Å; M241-S243 VanDerWaalsContact C-N 3.3Å; M241-S243 PolarHBondContact O-N 2.76Å; M241-L244 PolarHBondContact O-N 3.01Å; M241-L245 HydrophobicContact CE-CD1 4.23Å; M241-L245 HydrophobicContact CE-CD2 4.27Å; M241-L245 HydrophobicContact CE-CG 4.25Å; M241-L245 WeakPolarHBondContact O-CG 3.26Å; M241-L245 PolarHBondContact O-N 2.88Å; M241-L245 VanDerWaalsContact O-N 3.08Å
242L96.9Very high95.5Very high90 Ų9061.4 Ų61.447%0.47133%0.325SS..Hα-helixtrans-62.3-40175.7-67.2-177.1000111.6H238 E239 L245 S246H238-L242 WeakPolarHBondContact NE2-CD1 3.29Å; H238-L242 WeakPolarHBondContact O-CG 3.44Å; H238-L242 PolarHBondContact O-N 2.77Å; E239-L242 PolarHBondContact O-N 3.13Å; L242-L245 PolarHBondContact O-N 3.35Å; L242-S246 PolarHBondContact O-N 3.4Å
243S96Very high95.3Very high36 Ų3662.2 Ų62.225%0.25234%0.335SS..Hα-helixtrans-63.3-43.2176.6-167.40000112E239 E240 M241 L245 S246 V247 K264E239-S243 WeakPolarHBondContact O-CB 3.45Å; E239-S243 PolarHBondContact O-N 2.91Å; E240-S243 PolarHBondContact O-N 3.23Å; M241-S243 VanDerWaalsContact C-N 3.3Å; M241-S243 PolarHBondContact O-N 2.76Å; S243-L245 PolarHBondContact O-N 3.38Å; S243-S246 PolarHBondContact O-N 2.94Å; S243-V247 VanDerWaalsContact O-CG2 3.32Å; S243-V247 WeakPolarHBondContact O-CG2 3.2Å; S243-V247 PolarHBondContact O-N 2.95Å; S243-K264 VanDerWaalsContact CB-NZ 3.33Å; S243-K264 WeakPolarHBondContact OG-CE 3.44Å; S243-K264 PolarHBondContact OG-NZ 3.39Å
244L97Very high95Very high1 Ų164.5 Ų64.51%0.00535%0.346CS..Hα-helixtrans-58.4-46.4174.7175.564.5000111.4P143 V145 V184 Y204 C206 L211 E240 M241 S246 V247 A248P143-L244 HydrophobicContact CB-CD1 3.81Å; P143-L244 HydrophobicContact CB-CD2 4.12Å; P143-L244 HydrophobicContact CB-CG 4.01Å; V145-L244 HydrophobicContact CG2-CD2 3.47Å; V145-L244 VanDerWaalsContact CG2-CD2 3.47Å; V184-L244 HydrophobicContact CG1-CD2 4.5Å; Y204-L244 HydrophobicContact CD1-CB 4.26Å; Y204-L244 HydrophobicContact CD1-CD2 3.99Å; C206-L244 HydrophobicContact CB-CD1 4.35Å; L211-L244 HydrophobicContact CD1-CD1 3.94Å; E240-L244 WeakPolarHBondContact O-CB 3.43Å; E240-L244 PolarHBondContact O-N 3.08Å; M241-L244 PolarHBondContact O-N 3.01Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 2.88Å; L244-V247 PolarHBondContact O-N 3.11Å; L244-A248 VanDerWaalsContact O-CB 3.28Å; L244-A248 WeakPolarHBondContact O-CB 3.35Å; L244-A248 PolarHBondContact O-N 3.18Å
245L96.5Very high94.8Very high35 Ų3563.9 Ų63.918%0.18335%0.353CS..Hα-helixtrans-61.9-42.5178.3-67.7171.8000111.7F180 T183 V184 M241 L242 S243 V247 A248 S249F180-L245 HydrophobicContact CD1-CD1 4.22Å; F180-L245 HydrophobicContact CD1-CD2 4.35Å; F180-L245 HydrophobicContact CE1-CD1 3.64Å; F180-L245 HydrophobicContact CE2-CD1 4.11Å; F180-L245 HydrophobicContact CZ-CD1 3.57Å; T183-L245 HydrophobicContact CG2-CD2 4.15Å; V184-L245 HydrophobicContact CG2-CD2 3.73Å; M241-L245 HydrophobicContact CE-CD1 4.23Å; M241-L245 HydrophobicContact CE-CD2 4.27Å; M241-L245 HydrophobicContact CE-CG 4.25Å; M241-L245 WeakPolarHBondContact O-CG 3.26Å; M241-L245 PolarHBondContact O-N 2.88Å; M241-L245 VanDerWaalsContact O-N 3.08Å; L242-L245 PolarHBondContact O-N 3.35Å; S243-L245 PolarHBondContact O-N 3.38Å; L245-V247 VanDerWaalsContact C-N 3.34Å; L245-V247 PolarHBondContact O-N 3.07Å; L245-A248 PolarHBondContact O-N 3.31Å; L245-S249 PolarHBondContact O-N 3.12Å; L245-S249 VanDerWaalsContact O-N 3.1Å; L245-S249 PolarHBondContact O-OG 3.31Å
246S95Very high94.6Very high47 Ų4763 Ų6333%0.32934%0.338SS..Hα-helixtrans-65.7-35.4177.1-171.20000112.9L242 S243 L244 S249 R250L242-S246 PolarHBondContact O-N 3.4Å; S243-S246 PolarHBondContact O-N 2.94Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 2.88Å; S246-S249 PolarHBondContact O-OG 2.99Å; S246-R250 WeakPolarHBondContact O-CD 3.36Å; S246-R250 VanDerWaalsContact O-CG 3.28Å; S246-R250 WeakPolarHBondContact O-CG 3.45Å; S246-R250 PolarHBondContact O-NE 2.98Å; S246-R250 PolarHBondContact OG-NH2 3.43Å
247V94.5Very high94.4Very high7 Ų757.4 Ų57.44%0.04232%0.317CS..Hα-helixtrans-72.4-44.4176170.20000110.4L211 S243 L244 L245 S249 R250 L252 L257 I260L211-V247 HydrophobicContact CD1-CB 4.3Å; L211-V247 HydrophobicContact CD1-CG1 3.87Å; S243-V247 VanDerWaalsContact O-CG2 3.32Å; S243-V247 WeakPolarHBondContact O-CG2 3.2Å; S243-V247 PolarHBondContact O-N 2.95Å; L244-V247 PolarHBondContact O-N 3.11Å; L245-V247 VanDerWaalsContact C-N 3.34Å; L245-V247 PolarHBondContact O-N 3.07Å; V247-S249 VanDerWaalsContact C-N 3.26Å; V247-S249 PolarHBondContact O-N 3.34Å; V247-R250 WeakPolarHBondContact O-CB 3.49Å; V247-R250 PolarHBondContact O-N 3.03Å; V247-L252 HydrophobicContact CG1-CD1 4.07Å; V247-L257 HydrophobicContact CG1-CD2 3.42Å; V247-L257 VanDerWaalsContact CG1-CD2 3.42Å; V247-I260 HydrophobicContact CG1-CD1 4.38Å; V247-I260 HydrophobicContact CG2-CD1 4.2Å; V247-I260 HydrophobicContact CG2-CG2 4.48Å
248A92.9Very high94Very high36 Ų3661.3 Ų61.330%0.29834%0.338SS..Hα-helixtrans-66.4-25.9-177.800000113.4P143 L244 L245 R250P143-A248 HydrophobicContact CB-CB 4.02Å; P143-A248 HydrophobicContact CG-CB 3.84Å; L244-A248 VanDerWaalsContact O-CB 3.28Å; L244-A248 WeakPolarHBondContact O-CB 3.35Å; L244-A248 PolarHBondContact O-N 3.18Å; L245-A248 PolarHBondContact O-N 3.31Å; A248-R250 VanDerWaalsContact C-N 3.27Å
249S91.8Very high93.8Very high93 Ų9361.4 Ų61.465%0.6534%0.338SS*.THydrogen-bonded Turntrans-77.7-11.4174.566.40000113.6L245 S246 V247L245-S249 PolarHBondContact O-N 3.12Å; L245-S249 VanDerWaalsContact O-N 3.1Å; L245-S249 PolarHBondContact O-OG 3.31Å; S246-S249 PolarHBondContact O-OG 2.99Å; V247-S249 VanDerWaalsContact C-N 3.26Å; V247-S249 PolarHBondContact O-N 3.34Å
250R91.4Very high93.5Very high119 Ų11956.7 Ų56.745%0.44932%0.317SS..SBendtrans-94.4137.7178.8-62.8168.8-157.1-159.11.8109.1S246 V247 A248 L252S246-R250 WeakPolarHBondContact O-CD 3.36Å; S246-R250 VanDerWaalsContact O-CG 3.28Å; S246-R250 WeakPolarHBondContact O-CG 3.45Å; S246-R250 PolarHBondContact O-NE 2.98Å; S246-R250 PolarHBondContact OG-NH2 3.43Å; V247-R250 WeakPolarHBondContact O-CB 3.49Å; V247-R250 PolarHBondContact O-N 3.03Å; A248-R250 VanDerWaalsContact C-N 3.27Å; R250-L252 HydrophobicContact CB-CD1 4.15Å; R250-L252 HydrophobicContact CB-CD2 3.87Å; R250-L252 HydrophobicContact CB-CG 3.62Å; R250-L252 PolarHBondContact O-N 3.08Å
251N87.3Confident93.3Very high174 Ų17456.5 Ų56.593%0.9332%0.318SS*.  trans-79.558.7174.9-71.1-40.5000111.3
252L90.6Very high92.9Very high28 Ų2861.7 Ų61.715%0.14734%0.344CS..  trans-76.3148-178-57.5179.9000111.6V247 R250 E256 L257 I260V247-L252 HydrophobicContact CG1-CD1 4.07Å; R250-L252 HydrophobicContact CB-CD1 4.15Å; R250-L252 HydrophobicContact CB-CD2 3.87Å; R250-L252 HydrophobicContact CB-CG 3.62Å; R250-L252 PolarHBondContact O-N 3.08Å; L252-E256 HydrophobicContact CB-CB 4.11Å; L252-E256 HydrophobicContact CD2-CB 4.45Å; L252-L257 HydrophobicContact CB-CD2 4.21Å; L252-L257 HydrophobicContact CB-CG 4.25Å; L252-L257 HydrophobicContact CD1-CD2 3.98Å; L252-I260 HydrophobicContact CD1-CD1 3.48Å; L252-I260 VanDerWaalsContact CD1-CD1 3.48Å
253S92.3Very high92.6Very high53 Ų5364 Ų6437%0.37135%0.346SS..  trans-71.2158.3165.967.10000111.3S255 E256 L257S253-S255 PolarHBondContact O-N 3.17Å; S253-E256 WeakPolarHBondContact CB-OE2 3.24Å; S253-E256 PolarHBondContact N-OE2 3.32Å; S253-E256 PolarHBondContact O-N 3.13Å; S253-E256 VanDerWaalsContact O-N 3.16Å; S253-E256 WeakPolarHBondContact OG-CG 3.4Å; S253-E256 PolarHBondContact OG-N 3.36Å; S253-E256 PolarHBondContact OG-OE2 3.48Å; S253-L257 PolarHBondContact O-N 3.01Å
254D91Very high92.3Very high71 Ų7163.7 Ų63.738%0.3834%0.34SS..Hα-helixtrans-63.1-27.3177.6-63.1-24.7000111.8R207 L257 L258R207-D254 IonicContact CZ-OD1 3.74Å; R207-D254 IonicContact NE-OD1 2.69Å; R207-D254 PolarHBondContact NE-OD1 2.94Å; R207-D254 IonicContact NH2-OD1 2.89Å; R207-D254 PolarHBondContact NH2-OD1 3.1Å; R207-D254 IonicContact NH2-OD2 2.62Å; R207-D254 PolarHBondContact NH2-OD2 3.31Å; D254-L257 PolarHBondContact O-N 3.18Å; D254-L258 WeakPolarHBondContact O-CB 3.42Å; D254-L258 PolarHBondContact O-N 3.32Å
255S93.1Very high91.6Very high92 Ų9266.4 Ų66.464%0.64336%0.363SS*.Hα-helixtrans-65.1-46.3173.4-1700000111.8S253 L257 L258 E259S253-S255 PolarHBondContact O-N 3.17Å; S255-L257 VanDerWaalsContact C-N 3.34Å; S255-L257 PolarHBondContact O-N 3.07Å; S255-L258 PolarHBondContact O-N 3.27Å; S255-E259 WeakPolarHBondContact O-CB 3.42Å; S255-E259 PolarHBondContact O-N 3.13Å
256E93.7Very high90.5Very high83 Ų8371.1 Ų71.139%0.38839%0.389SS..Hα-helixtrans-65-37.9176.7-71.1164.9116.600111.7L252 S253 L258 E259 I260L252-E256 HydrophobicContact CB-CB 4.11Å; L252-E256 HydrophobicContact CD2-CB 4.45Å; S253-E256 WeakPolarHBondContact CB-OE2 3.24Å; S253-E256 PolarHBondContact N-OE2 3.32Å; S253-E256 PolarHBondContact O-N 3.13Å; S253-E256 VanDerWaalsContact O-N 3.16Å; S253-E256 WeakPolarHBondContact OG-CG 3.4Å; S253-E256 PolarHBondContact OG-N 3.36Å; S253-E256 PolarHBondContact OG-OE2 3.48Å; E256-L258 VanDerWaalsContact C-N 3.35Å; E256-E259 PolarHBondContact O-N 2.81Å; E256-I260 VanDerWaalsContact O-CG1 3.28Å; E256-I260 WeakPolarHBondContact O-CG1 3.28Å; E256-I260 PolarHBondContact O-N 3.36Å
257L92.5Very high89Confident2 Ų272.7 Ų72.71%0.0140%0.398CS..Hα-helixtrans-62.8-41.9174.6-69.1177.5000112C206 R207 L211 V247 L252 S253 D254 S255 E259 I260 A261C206-L257 HydrophobicContact CB-CD2 4.35Å; R207-L257 HydrophobicContact CB-CD1 4.22Å; R207-L257 HydrophobicContact CG-CD1 4.43Å; L211-L257 HydrophobicContact CD2-CB 4.48Å; L211-L257 HydrophobicContact CD2-CD2 4.38Å; V247-L257 HydrophobicContact CG1-CD2 3.42Å; V247-L257 VanDerWaalsContact CG1-CD2 3.42Å; L252-L257 HydrophobicContact CB-CD2 4.21Å; L252-L257 HydrophobicContact CB-CG 4.25Å; L252-L257 HydrophobicContact CD1-CD2 3.98Å; S253-L257 PolarHBondContact O-N 3.01Å; D254-L257 PolarHBondContact O-N 3.18Å; S255-L257 VanDerWaalsContact C-N 3.34Å; S255-L257 PolarHBondContact O-N 3.07Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-I260 PolarHBondContact O-N 3.13Å; L257-A261 WeakPolarHBondContact O-CB 3.1Å; L257-A261 PolarHBondContact O-N 3.06Å
258L91.5Very high86.9Confident82 Ų8277.5 Ų77.543%0.42943%0.428SS..Hα-helixtrans-65.5-40.5176.2-17365.5000111.2D254 S255 E256 A261 M262D254-L258 WeakPolarHBondContact O-CB 3.42Å; D254-L258 PolarHBondContact O-N 3.32Å; S255-L258 PolarHBondContact O-N 3.27Å; E256-L258 VanDerWaalsContact C-N 3.35Å; L258-A261 WeakPolarHBondContact O-CB 3.43Å; L258-A261 PolarHBondContact O-N 2.93Å; L258-M262 HydrophobicContact CD1-CE 4.38Å; L258-M262 HydrophobicContact CD2-CE 4.11Å; L258-M262 HydrophobicContact CG-CE 4.01Å; L258-M262 WeakPolarHBondContact O-CG 3.42Å; L258-M262 PolarHBondContact O-N 3.26Å
259E93.4Very high84.5Confident91 Ų9180.6 Ų80.643%0.42545%0.447SS..Hα-helixtrans-64.1-41.2176.8-158.2-166.4-169.300111.6S255 E256 L257 M262 R263S255-E259 WeakPolarHBondContact O-CB 3.42Å; S255-E259 PolarHBondContact O-N 3.13Å; E256-E259 PolarHBondContact O-N 2.81Å; L257-E259 VanDerWaalsContact C-N 3.35Å; E259-M262 PolarHBondContact O-N 2.97Å; E259-R263 VanDerWaalsContact CG-NH1 3.29Å; E259-R263 WeakPolarHBondContact O-CG 3.49Å; E259-R263 PolarHBondContact O-N 3.39Å; E259-R263 IonicContact OE1-CZ 3.34Å; E259-R263 IonicContact OE1-NH1 3.68Å; E259-R263 IonicContact OE1-NH2 2.7Å; E259-R263 PolarHBondContact OE1-NH2 3.11Å; E259-R263 IonicContact OE2-CZ 3.21Å; E259-R263 IonicContact OE2-NH1 2.8Å; E259-R263 PolarHBondContact OE2-NH1 3.17Å; E259-R263 IonicContact OE2-NH2 2.86Å; E259-R263 PolarHBondContact OE2-NH2 2.64Å
260I91.7Very high81.7Confident29 Ų2979.9 Ų79.915%0.14946%0.455CS..Hα-helixtrans-59.8-46.6171.6-70.1165.2000110.5V247 L252 E256 L257 M262 R263 K264V247-I260 HydrophobicContact CG1-CD1 4.38Å; V247-I260 HydrophobicContact CG2-CD1 4.2Å; V247-I260 HydrophobicContact CG2-CG2 4.48Å; L252-I260 HydrophobicContact CD1-CD1 3.48Å; L252-I260 VanDerWaalsContact CD1-CD1 3.48Å; E256-I260 VanDerWaalsContact O-CG1 3.28Å; E256-I260 WeakPolarHBondContact O-CG1 3.28Å; E256-I260 PolarHBondContact O-N 3.36Å; L257-I260 PolarHBondContact O-N 3.13Å; I260-M262 VanDerWaalsContact C-N 3.32Å; I260-M262 PolarHBondContact O-N 3.37Å; I260-R263 PolarHBondContact O-N 3.06Å; I260-K264 HydrophobicContact CG2-CD 4.24Å; I260-K264 HydrophobicContact CG2-CG 4.45Å; I260-K264 WeakPolarHBondContact O-CB 3.46Å; I260-K264 WeakPolarHBondContact O-CG 3.41Å; I260-K264 PolarHBondContact O-N 2.96Å
261A91.4Very high79Confident14 Ų1479.6 Ų79.612%0.11647%0.471CS..Hα-helixtrans-59.8-42.5178.500000111.8R210 L211 L257 L258 K264 A265R210-A261 WeakPolarHBondContact O-CB 3.28Å; L211-A261 HydrophobicContact CD2-CB 4.44Å; L257-A261 WeakPolarHBondContact O-CB 3.1Å; L257-A261 PolarHBondContact O-N 3.06Å; L258-A261 WeakPolarHBondContact O-CB 3.43Å; L258-A261 PolarHBondContact O-N 2.93Å; A261-K264 PolarHBondContact O-N 2.68Å; A261-A265 WeakPolarHBondContact O-CB 3.3Å; A261-A265 PolarHBondContact O-N 3.47Å
262M91.5Very high76.3Confident112 Ų11276.7 Ų76.755%0.55247%0.471SS*.Hα-helixtrans-64.8-46.4176.5-72.6179.2173.700112.2L258 E259 I260 K264 A265 N266L258-M262 HydrophobicContact CD1-CE 4.38Å; L258-M262 HydrophobicContact CD2-CE 4.11Å; L258-M262 HydrophobicContact CG-CE 4.01Å; L258-M262 WeakPolarHBondContact O-CG 3.42Å; L258-M262 PolarHBondContact O-N 3.26Å; E259-M262 PolarHBondContact O-N 2.97Å; I260-M262 VanDerWaalsContact C-N 3.32Å; I260-M262 PolarHBondContact O-N 3.37Å; M262-K264 VanDerWaalsContact C-N 3.29Å; M262-K264 PolarHBondContact O-N 3.04Å; M262-A265 PolarHBondContact O-N 3.19Å; M262-A265 VanDerWaalsContact O-N 3.17Å; M262-N266 PolarHBondContact O-N 3.05Å
263R90.6Very high73.6Confident140 Ų14080.4 Ų80.453%0.52850%0.499SS..Hα-helixtrans-58.1-43.9176-72.9-178.9-172.5109.8-9.3111.5E259 I260 N266E259-R263 VanDerWaalsContact CG-NH1 3.29Å; E259-R263 WeakPolarHBondContact O-CG 3.49Å; E259-R263 PolarHBondContact O-N 3.39Å; E259-R263 IonicContact OE1-CZ 3.34Å; E259-R263 IonicContact OE1-NH1 3.68Å; E259-R263 IonicContact OE1-NH2 2.7Å; E259-R263 PolarHBondContact OE1-NH2 3.11Å; E259-R263 IonicContact OE2-CZ 3.21Å; E259-R263 IonicContact OE2-NH1 2.8Å; E259-R263 PolarHBondContact OE2-NH1 3.17Å; E259-R263 IonicContact OE2-NH2 2.86Å; E259-R263 PolarHBondContact OE2-NH2 2.64Å; I260-R263 PolarHBondContact O-N 3.06Å; R263-N266 PolarHBondContact O-N 3.24Å
264K88.4Confident70.6Confident28 Ų2881.9 Ų81.912%0.12252%0.523CS..Hα-helixtrans-70.9-27178.2-76.3-168.2172.3-161.70113.6K212 E240 S243 I260 A261 M262 N266 C267K212-K264 HydrophobicContact CB-CD 4.29Å; K212-K264 HydrophobicContact CD-CB 4.24Å; K212-K264 PolarHBondContact NZ-O 3.12Å; E240-K264 IonicContact OE2-NZ 3.14Å; E240-K264 PolarHBondContact OE2-NZ 3.44Å; S243-K264 VanDerWaalsContact CB-NZ 3.33Å; S243-K264 WeakPolarHBondContact OG-CE 3.44Å; S243-K264 PolarHBondContact OG-NZ 3.39Å; I260-K264 HydrophobicContact CG2-CD 4.24Å; I260-K264 HydrophobicContact CG2-CG 4.45Å; I260-K264 WeakPolarHBondContact O-CB 3.46Å; I260-K264 WeakPolarHBondContact O-CG 3.41Å; I260-K264 PolarHBondContact O-N 2.96Å; A261-K264 PolarHBondContact O-N 2.68Å; M262-K264 VanDerWaalsContact C-N 3.29Å; M262-K264 PolarHBondContact O-N 3.04Å; K264-N266 VanDerWaalsContact C-N 3.29Å; K264-C267 PolarHBondContact O-SG 3.2Å
265A82.3Confident67.7Low59 Ų5982.5 Ų82.549%0.48854%0.538SS..Hα-helixtrans-67.9-32.4174.200000111.7A261 M262 V268A261-A265 WeakPolarHBondContact O-CB 3.3Å; A261-A265 PolarHBondContact O-N 3.47Å; M262-A265 PolarHBondContact O-N 3.19Å; M262-A265 VanDerWaalsContact O-N 3.17Å; A265-V268 VanDerWaalsContact O-CG2 3.26Å; A265-V268 WeakPolarHBondContact O-CG2 3.42Å
266N72.8Confident64.8Low134 Ų13486.3 Ų86.372%0.71755%0.55SS**Hα-helixtrans-79.1-16.3-176-69-10.3000114.4M262 R263 K264 V268M262-N266 PolarHBondContact O-N 3.05Å; R263-N266 PolarHBondContact O-N 3.24Å; K264-N266 VanDerWaalsContact C-N 3.29Å; N266-V268 VanDerWaalsContact C-N 3.27Å; N266-V268 PolarHBondContact O-N 3Å
267C63.7Low61.9Low79 Ų7987.5 Ų87.553%0.53456%0.563SS.*THydrogen-bonded Turntrans-85.324.4-177.964.80000115K212 K264 S269K212-C267 PolarHBondContact NZ-SG 3.2Å; K264-C267 PolarHBondContact O-SG 3.2Å; C267-S269 VanDerWaalsContact C-N 3.3Å; C267-S269 PolarHBondContact O-N 3.24Å
268V52.2Low59Low109 Ų10992 Ų9266%0.66160%0.595SS**  trans-85.98.9-172-178.10000113.8A265 N266A265-V268 VanDerWaalsContact O-CG2 3.26Å; A265-V268 WeakPolarHBondContact O-CG2 3.42Å; N266-V268 VanDerWaalsContact C-N 3.27Å; N266-V268 PolarHBondContact O-N 3Å
269S41.4Very low56.2Low100 Ų10097.9 Ų97.970%0.69961%0.612SS**SBendtrans-115.2125.217038.20000110.1C267 S271C267-S269 VanDerWaalsContact C-N 3.3Å; C267-S269 PolarHBondContact O-N 3.24Å; S269-S271 PolarHBondContact O-N 3.35Å
270G32Very low53.3Low79 Ų7998.6 Ų98.681%0.81463%0.628SS**  trans-52.8123.5-170.600000114.5
271S35.2Very low50.5Low113 Ų113103.6 Ų103.679%0.7966%0.659SS**  trans-168.9116.5143-81.10000107.8S269 S273S269-S271 PolarHBondContact O-N 3.35Å; S271-S273 PolarHBondContact O-N 3.28Å
272A30.2Very low47.7Very low112 Ų112109 Ų10993%0.92669%0.693SS**  trans-64.6103.1164.100000107.5
273S34.3Very low44.9Very low107 Ų107106.5 Ų106.575%0.74870%0.697SS**  trans-139.396.5159.9-73.60000105.7S271 A275S271-S273 PolarHBondContact O-N 3.28Å; S273-A275 VanDerWaalsContact C-N 3.34Å; S273-A275 PolarHBondContact O-N 3.28Å
274G29.6Very low42.2Very low84 Ų84106.3 Ų106.387%0.86671%0.711SS**  trans-61.499.2170.400000108.5L276G274-L276 VanDerWaalsContact C-N 3.27Å; G274-L276 PolarHBondContact O-N 3.2Å; G274-L276 VanDerWaalsContact O-N 3.09Å
275A30.4Very low39.5Very low84 Ų84110.7 Ų110.769%0.69474%0.74SS**  trans-74.692.5158.800000106.7S273 V277S273-A275 VanDerWaalsContact C-N 3.34Å; S273-A275 PolarHBondContact O-N 3.28Å; A275-V277 VanDerWaalsContact C-N 3.31Å; A275-V277 PolarHBondContact O-N 3.23Å
276L31.6Very low37.1Very low171 Ų171113.2 Ų113.290%0.89575%0.754SS**  trans-53.8102.3153.7-102.8152.3000106.6G274 S278G274-L276 VanDerWaalsContact C-N 3.27Å; G274-L276 PolarHBondContact O-N 3.2Å; G274-L276 VanDerWaalsContact O-N 3.09Å; L276-S278 PolarHBondContact O-N 3.5Å; L276-S278 VanDerWaalsContact O-N 3.07Å
277V34.1Very low35.1Very low109 Ų109114.7 Ų114.766%0.66176%0.762SS**  trans-70.8103.7168.9178.90000106.5A275 Y279A275-V277 VanDerWaalsContact C-N 3.31Å; A275-V277 PolarHBondContact O-N 3.23Å; V277-Y279 PolarHBondContact O-N 3.48Å
278S29.8Very low33.9Very low97 Ų97115.7 Ų115.768%0.67877%0.77SS**  trans-60120.1163.952.40000108.8L276 S280L276-S278 PolarHBondContact O-N 3.5Å; L276-S278 VanDerWaalsContact O-N 3.07Å; S278-S280 PolarHBondContact O-N 3.41Å
279Y34.4Very low32.9Very low204 Ų204119 Ų11980%0.878%0.778SS**  trans-72.3107167.6-71.6-84.1000109V277V277-Y279 PolarHBondContact O-N 3.48Å
280S31.3Very low32.6Very low106 Ų106121.4 Ų121.474%0.74178%0.778SS**  trans-92.3113.7161.290000108.6S278S278-S280 PolarHBondContact O-N 3.41Å
281V34.4Very low32.7Very low134 Ų134125.8 Ų125.881%0.81278%0.777SS**  trans-73.7126.1164.8178.50000107.6
282P32.1Very low32.7Very low127 Ų127124.5 Ų124.583%0.82577%0.773SS**  trans-90.4127.6172.27.89.8000110.8
283G32.9Very low33Very low61 Ų61128.2 Ų128.263%0.62977%0.772SS**  trans156.497.6155.800000116.7
284T32.3Very low33Very low135 Ų135130.3 Ų130.383%0.82877%0.774SS**  trans63.2124.2145.923.60000117.3
285T32.6Very low33.6Very low121 Ų121135.4 Ų135.474%0.74278%0.776SS**  cis-169.5136.937.73.50000109.1
286S32Very low33.7Very low111 Ų111138.4 Ų138.478%0.77678%0.78SS**  trans39117.4151.960.20000121
287N31.4Very low34.2Very low166 Ų166138.1 Ų138.189%0.88878%0.779SS**  trans-139.3148.5149.7-135.415.6000111.8
288S36.9Very low34.3Very low99 Ų99139.1 Ų139.169%0.69278%0.781SS**  trans-81.5139.7-163.9-30.80000114.9
289Q31.1Very low34.8Very low178 Ų178142 Ų14283%0.83278%0.783SS**  trans32.8117.9135.8-64.3174.8-33.900121.8
290H35.4Very low34.6Very low152 Ų152137.1 Ų137.170%0.70478%0.779SS**  163.6114.6117.9-103.7-82.1000108.2
291E35Very low34.8Very low170 Ų170136.6 Ų136.679%0.79478%0.775SS**  56.5140.697.2-68.5-173.8158.200114.1
292A34.9Very low34.7Very low86 Ų86136 Ų13671%0.71177%0.772SS**  cis-177.3169.8-20.100000104.9
293E37.5Very low34.7Very low190 Ų190136.7 Ų136.789%0.88877%0.769SS**  trans101.298159.2-55-170150.100120.4
294D33.6Very low34.4Very low151 Ų151139.9 Ų139.981%0.80778%0.776SS**  16.7134.7127.8-93.8-19.3000121.9
295Q41.8Very low34.3Very low191 Ų191139.3 Ų139.389%0.89377%0.773SS**  -178.3142.1112.6-98.8168.143.800114.2
296D32.9Very low34.1Very low147 Ų147139.1 Ų139.179%0.78677%0.771SS**  trans-59.2158.9176-74.2-56000115.9
297L40.9Very low34.2Very low165 Ų165140.4 Ų140.486%0.86478%0.775SS**  170.2109.5125.9-89.3157.7000113.8
298D37.1Very low34.2Very low131 Ų131136.3 Ų136.370%0.70177%0.772SS**  trans34.8136.4130.4-96.41.4000126
299Q39.9Very low34.1Very low158 Ų158137 Ų13774%0.73878%0.777SS**  trans88106136.1-71.7175.547.900123.4
300S31.1Very low34.1Very low101 Ų101136.2 Ų136.271%0.70678%0.777SS**  73.2133.5121.2104.20000123.1
301S35.2Very low34.1Very low95 Ų95136.8 Ų136.866%0.66479%0.785SS**  trans97.1102.3138.5-51.80000120.8
302T32Very low34Very low122 Ų122135.9 Ų135.975%0.74879%0.786SS**  68.7133.1128.354.40000123.7
303N32.3Very low34.1Very low141 Ų141138.1 Ų138.175%0.75479%0.79SS**  trans95.3103.5145.5-63-12.7000120.1
304T27.6Very low34Very low128 Ų128134.6 Ų134.679%0.78579%0.787SS**  trans21.6128.2130.6-6.30000118.9
305T29.6Very low34.6Very low123 Ų123134.1 Ų134.176%0.75578%0.783SS**  170.9123.4125.1-72.20000111.2
306T28.7Very low34.6Very low116 Ų116130.2 Ų130.271%0.71277%0.774SS**  trans60.1121146.1-50.50000120.8
307T34.1Very low35.2Very low138 Ų138129.2 Ų129.285%0.84778%0.775SS**  -170.6115.2110.732.20000109.9
308G29.8Very low35.1Very low81 Ų81126.1 Ų126.184%0.83577%0.774SS**  trans-78.6141.3166.800000110.8
309S34.6Very low35.4Very low113 Ų113131.2 Ų131.279%0.7978%0.783SS**  trans-125107164.5-178.80000107.9
310L32.8Very low35.4Very low161 Ų161129.1 Ų129.184%0.84378%0.783SS**  trans-73.4117.6173.2-73.3156.2000109
311L35.4Very low35.8Very low165 Ų165129.1 Ų129.186%0.86479%0.79SS**  trans-100.896.6157.6-80.7165.2000107.7T313L311-T313 PolarHBondContact O-N 2.98Å
312N31.3Very low35.9Very low151 Ų151131 Ų13181%0.80780%0.797SS**  trans-68.3112.5167.2-108.210.9000108.8
313T38Very low36.1Very low132 Ų132130 Ų13081%0.8180%0.802SS**  trans-109.7100.6155.538.60000108L311 I315L311-T313 PolarHBondContact O-N 2.98Å; T313-I315 PolarHBondContact O-N 2.67Å
314S36Very low36.5Very low116 Ų116129.9 Ų129.981%0.81181%0.806SS**  trans-61.8115.2176.449.50000110.9
315I44.9Very low36.9Very low142 Ų142127.4 Ų127.473%0.72881%0.806SS**PPolyproline II helixtrans-81.6128.5163.6-62.4168.6000106.9T313T313-I315 PolarHBondContact O-N 2.67Å
316P42.9Very low37.1Very low109 Ų109129.7 Ų129.771%0.70881%0.813SS**PPolyproline II helixtrans-70.4139.9177.228.7-31.6000110
317P44.4Very low37.6Very low125 Ų125132.3 Ų132.381%0.81282%0.821SS**PPolyproline II helixtrans-71.3135.4176.729-31.8000110.3R319P317-R319 PolarHBondContact O-N 3.13Å
318A39.8Very low37.7Very low101 Ų101132.8 Ų132.884%0.83582%0.819SS**PPolyproline II helixtrans-60.7125165.900000109.1
319R43Very low38.1Very low237 Ų237136.4 Ų136.489%0.89482%0.819SS**PPolyproline II helixtrans-75.2134.4-175.9-159.1177.8-171.6-177.72.1110P317P317-R319 PolarHBondContact O-N 3.13Å
320P39.4Very low38.4Very low114 Ų114139.7 Ų139.774%0.7482%0.821SS**PPolyproline II helixtrans-73.6130.1171.426.5-26.1000109.7T322P320-T322 PolarHBondContact O-N 3.15Å
321A41.1Very low38.7Very low102 Ų102135.8 Ų135.884%0.84382%0.82SS**  trans-70.4110.5169.300000109.2A323A321-A323 PolarHBondContact O-N 2.84Å
322T36.3Very low39Very low133 Ų133135.6 Ų135.682%0.81682%0.82SS**  trans-71108.6167.528.50000109.6P320 T324P320-T322 PolarHBondContact O-N 3.15Å; T322-T324 PolarHBondContact O-N 3.44Å
323A37.1Very low39.5Very low102 Ų102133.2 Ų133.284%0.84381%0.813SS**  trans-76.5109.6161.200000108.8A321A321-A323 PolarHBondContact O-N 2.84Å
324T38.8Very low39.6Very low138 Ų138134.9 Ų134.985%0.84782%0.816SS**  trans-84.7113.116436.30000108.9T322T322-T324 PolarHBondContact O-N 3.44Å
325G36.2Very low39.8Very low76 Ų76134.9 Ų134.978%0.78482%0.816SS**  trans-67.2145.6173.800000112.8
326L34.7Very low39.7Very low172 Ų172132.8 Ų132.890%0.90182%0.82SS**  trans-57.4141.6169-72.4144.8000111.7
327L39.9Very low39.6Very low170 Ų170131.1 Ų131.189%0.8982%0.823SS**  trans-130.5133.8150-87.9169.9000109.2
328D34.7Very low39.5Very low148 Ų148130.6 Ų130.679%0.79182%0.822SS**  trans-60151.2-171.9-60.6-65.4000114.5
329N38.7Very low39.4Very low157 Ų157130.7 Ų130.784%0.8482%0.817SS**  trans-148.8142.3132.7-148.37.7000113.3
330H41.9Very low39.4Very low182 Ų182131.3 Ų131.384%0.84382%0.819SS**  trans-60151.9-169.6-74-85.5000117.1
331G38Very low39.4Very low80 Ų80131.3 Ų131.383%0.82582%0.821SS**  trans173.395.2161.400000113.7
332N41.1Very low39.4Very low160 Ų160130.7 Ų130.786%0.85681%0.811SS**  trans-67.9179.2-169.6-128.71.8000115.3
333P43.1Very low39.7Very low101 Ų101134 Ų13466%0.65682%0.815SS**  trans-116.9-172.4-130.929.2-4.2000112.1
334L40.8Very low39.8Very low168 Ų168133 Ų13388%0.8881%0.813SS**  trans177.5134.7140.4-95.1163.4000112.6
335S39.1Very low40Very low116 Ų116131.9 Ų131.981%0.81182%0.818SS**  trans70.4141.1146.71690000118.8
336A42.4Very low40Very low97 Ų97133.3 Ų133.380%0.80282%0.816SS**  cis174.9148.9-16.300000104.2
337G40.7Very low40.4Very low75 Ų75132.3 Ų132.377%0.77382%0.817SS**  trans141.185.5157.600000119.1
338S42Very low40.2Very low114 Ų114134.5 Ų134.580%0.79781%0.813SS**  trans58.798.5130.9-65.80000122.9
339S39.5Very low40.4Very low103 Ų103135.7 Ų135.772%0.7282%0.819SS**  40.2126.9110.864.50000121.8
340R41.8Very low40.5Very low250 Ų250131.6 Ų131.694%0.94381%0.814SS**  -165.2132.4119.9-105.4168.1173.8-170.8-2.3113.5
341S39.6Very low40.2Very low113 Ų113134.9 Ų134.979%0.7982%0.819SS**  trans-61.2167.2176.249.10000114.6
342S42Very low40.7Very low89 Ų89146 Ų14662%0.62284%0.836SS**  179.216860.6-176.30000112.9
343F40.8Very low40.6Very low204 Ų204145.4 Ų145.490%0.89584%0.835SS**  trans89.2115.9167.2-57.3-78.1000116.1
344G39.5Very low40.5Very low79 Ų79147.7 Ų147.781%0.81484%0.844SS**  cis124.7101.18.900000110.5
345A44.3Very low40.5Very low115 Ų115146.6 Ų146.695%0.9584%0.843SS**  trans179.4133.1144.500000110.5
346S35.9Very low40.6Very low106 Ų106148.4 Ų148.474%0.74184%0.844SS**  trans-107.7138.9-167.4177.60000110.3
347V42.7Very low40.5Very low151 Ų151151.6 Ų151.692%0.91585%0.847SS**  trans-147.6132144.9-177.40000109.3
348R36.5Very low40.5Very low216 Ų216156.7 Ų156.782%0.81585%0.852SS**  trans-109.6172.1-172.4-131.1-177-172.9168.71.1110.7
349L37.7Very low40.3Very low174 Ų174159.7 Ų159.791%0.91186%0.856SS**  trans88.6132.4164.5-64.9127.6000115.5
350G41.3Very low40.4Very low71 Ų71164.1 Ų164.173%0.73287%0.866SS**  cis177.8155.5500000109.2
351R36.6Very low40.3Very low250 Ų250156.9 Ų156.994%0.94386%0.86SS**  trans-58.9145.2178.2-98.4177.9169.3-169.8-3.6113.2
352R46.7Very low40.4Very low315 Ų315160.9 Ų160.9100%1.18987%0.866SS**  trans-1170130.2-102.8-172.7179.4-172.10.3108.1

Retrieved 352 of 352 residues in 513.3 ms (Link to these results)

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