A0A096LRM1_POEFO Loading...

Protein argonaute-1

AlphaFold DB (A0A3B3V5F5), UniProt , Accession A0A096LRM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 858 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
1M30.5Very low25.4Very low242 Ų242133.7 Ų133.7100%1.19285%0.848SS**  098.70-76-175.2-128.700107.7
2E19.9Very low25.4Very low194 Ų194127.5 Ų127.591%0.90783%0.828SS**PPolyproline II helixtrans-68.7133.7178.8-68.5-178.4139.800110.8
3P27.4Very low25.4Very low128 Ų128125 Ų12583%0.83183%0.825SS**PPolyproline II helixtrans-86.6121.3169.429.7-23.6000110
4G22.9Very low25.7Very low68 Ų68130.2 Ų130.270%0.70183%0.828SS**PPolyproline II helixtrans-65.2158.5-175.900000115.2
5P27.5Very low26.4Very low133 Ų133126.4 Ų126.486%0.86480%0.804SS**PPolyproline II helixtrans-74.4136.2-174.330.9-34.6000112.1G7P5-G7 PolarHBondContact O-N 2.91Å
6S27.8Very low27Very low120 Ų120125.3 Ų125.384%0.83980%0.798SS**PPolyproline II helixtrans-64.7126.417742.20000112.2A8S6-A8 PolarHBondContact O-N 2.93Å
7G23.7Very low28.6Very low81 Ų81125.8 Ų125.884%0.83580%0.802SS**  trans-62.6109.9-173.400000114P5P5-G7 PolarHBondContact O-N 2.91Å
8A25.4Very low30.7Very low89 Ų89122.1 Ų122.174%0.73678%0.775SS**PPolyproline II helixtrans-73.4131.715100000108S6 P10S6-A8 PolarHBondContact O-N 2.93Å; A8-P10 WeakPolarHBondContact O-CD 2.93Å; A8-P10 VanDerWaalsContact O-N 3.13Å
9V23.5Very low33.1Very low137 Ų137124.6 Ų124.683%0.8378%0.776SS**PPolyproline II helixtrans-55.2120.1167.6179.50000107L11V9-L11 PolarHBondContact O-N 2.73Å
10P23.4Very low35.2Very low107 Ų107123.1 Ų123.170%0.69576%0.759SS**PPolyproline II helixtrans-60.7127178.10.37000107.2A8 G12A8-P10 WeakPolarHBondContact O-CD 2.93Å; A8-P10 VanDerWaalsContact O-N 3.13Å; P10-G12 PolarHBondContact O-N 3.48Å
11L27.4Very low37.5Very low172 Ų172121.7 Ų121.790%0.90175%0.75SS**  trans-53.2106.6149.8-79.5158.8000104.2V9 A13V9-L11 PolarHBondContact O-N 2.73Å; L11-A13 PolarHBondContact O-N 2.77Å
12G25.2Very low40.3Very low59 Ų59111.4 Ų111.461%0.60870%0.699SS**  trans-45130.9-175.600000108.9P10 F14P10-G12 PolarHBondContact O-N 3.48Å; G12-F14 PolarHBondContact O-N 3.4Å; G12-F14 VanDerWaalsContact O-N 3.09Å
13A25.9Very low43.6Very low95 Ų95107 Ų10779%0.78568%0.678SS**  trans-41.8123.7173.400000107.7L11 P15L11-A13 PolarHBondContact O-N 2.77Å; A13-P15 WeakPolarHBondContact O-CD 3.3Å; A13-P15 VanDerWaalsContact O-N 3.07Å
14F28.9Very low46.8Very low198 Ų198101.9 Ų101.987%0.86865%0.646SS**PPolyproline II helixtrans-52.2123.4169.8-75.3-87.2000105.7G12G12-F14 PolarHBondContact O-N 3.4Å; G12-F14 VanDerWaalsContact O-N 3.09Å
15P36Very low50.2Low73 Ų73100.2 Ų100.247%0.47462%0.623SS.*PPolyproline II helixtrans-53.5150172.121.4-29.5000108A13A13-P15 WeakPolarHBondContact O-CD 3.3Å; A13-P15 VanDerWaalsContact O-N 3.07Å
16P36.5Very low53.4Low108 Ų108101 Ų10170%0.70161%0.609SS**SBendtrans-47.9150176.220.5-31.9000110L18P16-L18 PolarHBondContact O-N 2.97Å
17P53.8Low56.7Low134 Ų13496.9 Ų96.987%0.8758%0.575SS**  trans-49.7113.3-177.519.2-31.2000109.3Q19P17-Q19 PolarHBondContact O-N 2.86Å; P17-Q19 VanDerWaalsContact O-N 3.12Å
18L66.8Low60.2Low59 Ų5996.6 Ų96.631%0.30956%0.558SS.*  trans-61.8117.9-175.8-169.7102.8000107.5P16 Q20 H680 Y681P16-L18 PolarHBondContact O-N 2.97Å; L18-Q20 PolarHBondContact O-N 2.99Å; L18-H680 HydrophobicContact CD2-CB 3.69Å; L18-Y681 HydrophobicContact CD1-CE2 4.32Å
19Q75.6Confident63.5Low170 Ų17093.9 Ų93.979%0.79454%0.539SS*.  trans-61.7114.4169.8-170.5175.36.800107.4P17 V21P17-Q19 PolarHBondContact O-N 2.86Å; P17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-V21 PolarHBondContact O-N 3.29Å
20Q75.3Confident67Low94 Ų9491.6 Ų91.644%0.43952%0.521SS..  trans-7099.9-179.1-72.8-177.37.500109.2L18 P676L18-Q20 PolarHBondContact O-N 2.99Å; Q20-P676 HydrophobicContact CG-CB 4.08Å; Q20-P676 VanDerWaalsContact NE2-CG 3.33Å
21V84.4Confident70.5Confident94 Ų9487 Ų8757%0.5749%0.492SS*.  trans-76.4-32.7174-179.30000111.2Q19Q19-V21 PolarHBondContact O-N 3.29Å
22F88.5Confident73.9Confident26 Ų2684.1 Ų84.111%0.11448%0.482CS..SBendtrans-106.7121.2-179.5-53.1-64.9000109.8L679 H680 L683 L684 R687 W768F22-L679 HydrophobicContact CB-CD2 4Å; F22-L679 HydrophobicContact CB-CG 4.47Å; F22-H680 HydrophobicContact CD2-CB 4.49Å; F22-H680 AromaticContact CD2-ND1 3.85Å; F22-H680 AromaticContact CE2-ND1 3.76Å; F22-L683 HydrophobicContact CB-CD2 4.49Å; F22-L683 HydrophobicContact CD1-CD2 3.95Å; F22-L683 HydrophobicContact CD2-CD2 4.25Å; F22-L683 HydrophobicContact CE1-CD2 4.25Å; F22-L683 HydrophobicContact CG-CD2 3.95Å; F22-L684 HydrophobicContact CE2-CD1 4.3Å; F22-L684 HydrophobicContact CE2-CD2 4.02Å; F22-L684 HydrophobicContact CE2-CG 3.86Å; F22-L684 HydrophobicContact CZ-CD2 3.76Å; F22-L684 HydrophobicContact CZ-CG 4.13Å; F22-R687 VanDerWaalsContact CE1-NH1 3.35Å; F22-W768 HydrophobicContact CB-CE3 4.12Å; F22-W768 HydrophobicContact CB-CZ3 3.93Å; F22-W768 HydrophobicContact CD1-CE3 4.36Å; F22-W768 AromaticContact CD1-CH2 3.97Å; F22-W768 HydrophobicContact CD1-CH2 3.97Å; F22-W768 AromaticContact CD1-CZ3 3.8Å; F22-W768 HydrophobicContact CD1-CZ3 3.8Å; F22-W768 HydrophobicContact CG-CZ3 4.32Å
23H90.4Very high77.3Confident103 Ų10383.9 Ų83.948%0.47747%0.468SS..PPolyproline II helixtrans-101.5142.8174.2-62.5-70.7000110.1
24A93.1Very high80.7Confident19 Ų1980.6 Ų80.616%0.15744%0.444CS..PPolyproline II helixtrans-61.4140.2173.800000110.3E744 L767A24-E744 HydrophobicContact CB-CG 4.29Å; A24-L767 WeakPolarHBondContact CA-O 2.92Å; A24-L767 HydrophobicContact CB-CD2 4.39Å
25P95.8Very high84Confident34 Ų3477.6 Ų77.622%0.22143%0.43CS..PPolyproline II helixtrans-64.4144.2177.927.1-34.5000110.6F745 V766 L767 D769P25-F745 PolarHBondContact O-N 3.26Å; P25-V766 WeakPolarHBondContact CD-O 3.27Å; P25-V766 HydrophobicContact CG-CB 4.42Å; P25-V766 HydrophobicContact CG-CG1 3.91Å; P25-L767 VanDerWaalsContact CD-C 3.45Å; P25-L767 WeakPolarHBondContact CD-O 3.49Å; P25-D769 HydrophobicContact CG-CB 4.28Å
26R94.8Very high87Confident149 Ų14978.2 Ų78.256%0.56244%0.435SS*.BIsolated β-bridgetrans-66.6151.2169.7-60.8-174.874.3153.74109.5P28 G149 F743R26-P28 WeakPolarHBondContact O-CD 3.42Å; R26-G149 PolarHBondContact NH2-O 3.07Å; R26-F743 CarbonylContact C-O 3.57Å; R26-F743 VanDerWaalsContact CA-O 3.28Å; R26-F743 WeakPolarHBondContact CA-O 3.45Å
27R96.1Very high90Very high34 Ų3473.2 Ų73.213%0.12840%0.402CS..PPolyproline II helixtrans-56122174.9-170.9-175.2-53.9-76-4.8109.8G29 M30 M209 D736 T740 H741 F743 E744 F745 D746R27-G29 VanDerWaalsContact C-N 3.27Å; R27-G29 WeakPolarHBondContact CD-O 3.08Å; R27-G29 VanDerWaalsContact CG-O 3.24Å; R27-G29 WeakPolarHBondContact CG-O 3.41Å; R27-G29 PolarHBondContact O-N 2.88Å; R27-M30 WeakPolarHBondContact CD-SD 3.38Å; R27-M209 VanDerWaalsContact CZ-CE 3.42Å; R27-M209 VanDerWaalsContact NH2-CE 3.33Å; R27-D736 PolarHBondContact NH1-O 3.49Å; R27-T740 PolarHBondContact NH2-OG1 3.4Å; R27-H741 PolarHBondContact NH2-O 3.39Å; R27-F743 PolarHBondContact N-O 3.33Å; R27-E744 PolarHBondContact NH2-O 3.38Å; R27-F745 HydrophobicContact CG-CD1 4.41Å; R27-D746 IonicContact CZ-OD1 3.25Å; R27-D746 PolarHBondContact NH1-O 3.33Å; R27-D746 IonicContact NH1-OD1 3.97Å; R27-D746 IonicContact NH2-OD1 3.31Å; R27-D746 PolarHBondContact NH2-OD1 3.36Å
28P96.6Very high92.1Very high74 Ų7473 Ų7348%0.48139%0.388SS..  trans-74.5-20.5-176.729.4-35.2000112.7R26 F745 F773R26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-F745 VanDerWaalsContact CD-CD2 3.47Å; P28-F745 HydrophobicContact CG-CD2 3.97Å; P28-F745 HydrophobicContact CG-CE1 4.4Å; P28-F745 HydrophobicContact CG-CE2 3.67Å; P28-F745 HydrophobicContact CG-CG 4.46Å; P28-F745 HydrophobicContact CG-CZ 3.91Å; P28-F773 VanDerWaalsContact CG-O 3.31Å; P28-F773 WeakPolarHBondContact CG-O 3.46Å
29G95.6Very high93.6Very high33 Ų3370.3 Ų70.334%0.3437%0.373SS..  trans168.7-179.7-179.500000110.3R27 A775R27-G29 VanDerWaalsContact C-N 3.27Å; R27-G29 WeakPolarHBondContact CD-O 3.08Å; R27-G29 VanDerWaalsContact CG-O 3.24Å; R27-G29 WeakPolarHBondContact CG-O 3.41Å; R27-G29 PolarHBondContact O-N 2.88Å; G29-A775 WeakPolarHBondContact O-CB 3.43Å
30M96.3Very high94.7Very high89 Ų8963.6 Ų63.644%0.43834%0.342SS..  trans-95.4146.2170-55.5-60.3-178.300109.2R27 M209 T737R27-M30 WeakPolarHBondContact CD-SD 3.38Å; M30-M209 HydrophobicContact CE-CE 3.55Å; M30-M209 HydrophobicContact CE-SD 3.82Å; M30-M209 HydrophobicContact SD-CE 4.22Å; M30-T737 HydrophobicContact CE-CG2 4.3Å; M30-T737 HydrophobicContact CG-CG2 4.22Å; M30-T737 HydrophobicContact SD-CG2 3.73Å
31G97.4Very high95.8Very high9 Ų959.1 Ų59.19%0.09332%0.322CS..  trans-69.8146171.800000111R410 D736 D776G31-R410 VanDerWaalsContact O-CZ 3.25Å; G31-R410 PolarHBondContact O-NE 3.46Å; G31-D736 PolarHBondContact N-OD2 2.99Å; G31-D776 WeakPolarHBondContact CA-OD1 3.36Å
32T98.1Very high96.5Very high112 Ų11254.6 Ų54.669%0.68729%0.294SS*.  trans-119.8-18.8-175.262.60000112.3D776T32-D776 PolarHBondContact N-OD1 3.38Å; T32-D776 PolarHBondContact N-OD2 3.32Å; T32-D776 PolarHBondContact OG1-OD2 3.44Å
33V97.9Very high96.9Very high54 Ų5453.4 Ų53.433%0.32729%0.289SS..  trans-81.9141.9-176.3178.50000111.1R410 L412 P413 D776 I780V33-R410 WeakPolarHBondContact O-CD 3.38Å; V33-R410 PolarHBondContact O-NH1 3.35Å; V33-L412 WeakPolarHBondContact O-CD2 3.26Å; V33-P413 HydrophobicContact CG1-CG 4.26Å; V33-D776 WeakPolarHBondContact CB-OD1 3.05Å; V33-D776 HydrophobicContact CG2-CB 4.18Å; V33-D776 PolarHBondContact N-OD1 2.98Å; V33-I780 HydrophobicContact CB-CD1 4.2Å; V33-I780 HydrophobicContact CG1-CD1 4.03Å; V33-I780 HydrophobicContact CG2-CD1 4.27Å
34G97.7Very high97.3Very high26 Ų2648.5 Ų48.527%0.26827%0.266SS..SBendtrans109.9154.2174.600000113.3V411G34-V411 CarbonylContact C-O 3.55Å; G34-V411 WeakPolarHBondContact CA-O 3.45Å
35K98.1Very high97.5Very high135 Ų13549.4 Ų49.459%0.58727%0.267SS*.EExtended strand (participates in β ladder)trans-67.7128.8179.8-176.2-168167.6-160.90109.4R410 V411 E721K35-R410 CarbonylContact O-C 3.59Å; K35-R410 WeakPolarHBondContact O-CA 3.36Å; K35-V411 PolarHBondContact N-O 3.47Å; K35-V411 PolarHBondContact O-N 2.76Å; K35-E721 IonicContact NZ-OE1 3.78Å; K35-E721 PolarHBondContact NZ-OE1 2.7Å
36P98.4Very high97.5Very high87 Ų8748 Ų4857%0.56526%0.258SS*.EExtended strand (participates in β ladder)trans-58.6143.4173.5-2434.1000112.3T408 G409P36-T408 HydrophobicContact CB-CG2 4.31Å; P36-G409 CarbonylContact C-O 3.56Å; P36-G409 WeakPolarHBondContact CA-O 3.29Å
37I98.5Very high97.5Very high3 Ų346 Ų462%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-139.5130.8176.4169.6161000109.3L39 G409 V411 E721 P730 T733I37-L39 HydrophobicContact CD1-CD2 3.82Å; I37-L39 HydrophobicContact CG1-CD2 3.66Å; I37-L39 HydrophobicContact CG1-CG 4.11Å; I37-L39 HydrophobicContact CG2-CD1 4.47Å; I37-L39 HydrophobicContact CG2-CG 4.43Å; I37-G409 VanDerWaalsContact CG2-C 3.47Å; I37-G409 WeakPolarHBondContact CG2-O 3.34Å; I37-G409 PolarHBondContact N-O 3.34Å; I37-G409 PolarHBondContact O-N 3.01Å; I37-V411 HydrophobicContact CB-CG2 4.06Å; I37-V411 HydrophobicContact CD1-CG2 4.32Å; I37-V411 HydrophobicContact CG2-CG2 3.66Å; I37-E721 HydrophobicContact CD1-CB 4.49Å; I37-E721 WeakPolarHBondContact CD1-OE2 3.37Å; I37-E721 WeakPolarHBondContact CG1-OE2 3.13Å; I37-P730 HydrophobicContact CD1-CG 3.87Å; I37-T733 HydrophobicContact CG2-CG2 4.21Å
38K98.6Very high97.4Very high130 Ų13045.1 Ų45.157%0.56525%0.253SS*.EExtended strand (participates in β ladder)trans-81.7126.9174.7-68.8-176.1178.6-176.80110.6A717K38-A717 HydrophobicContact CB-CB 3.84Å; K38-A717 WeakPolarHBondContact O-CB 3.3Å; K38-A717 PolarHBondContact O-N 2.93Å
39L98.8Very high97.3Very high1 Ų143.2 Ų43.21%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-126.4155.1-175-58.3172.5000111.4I37 E406 V407 L714 F715 I729 T733 V735I37-L39 HydrophobicContact CD1-CD2 3.82Å; I37-L39 HydrophobicContact CG1-CD2 3.66Å; I37-L39 HydrophobicContact CG1-CG 4.11Å; I37-L39 HydrophobicContact CG2-CD1 4.47Å; I37-L39 HydrophobicContact CG2-CG 4.43Å; L39-E406 WeakPolarHBondContact O-CA 3.22Å; L39-V407 WeakPolarHBondContact CA-O 3.31Å; L39-V407 WeakPolarHBondContact CB-O 3.12Å; L39-V407 PolarHBondContact N-O 3.02Å; L39-V407 PolarHBondContact O-N 2.93Å; L39-L714 HydrophobicContact CD1-CD1 4.4Å; L39-F715 CarbonylContact C-O 3.5Å; L39-F715 WeakPolarHBondContact CA-O 3.39Å; L39-F715 WeakPolarHBondContact CD2-O 3.48Å; L39-I729 HydrophobicContact CD2-CG2 3.68Å; L39-T733 HydrophobicContact CD1-CG2 3.59Å; L39-T733 HydrophobicContact CD2-CG2 4.25Å; L39-V735 HydrophobicContact CD1-CG2 3.59Å
40L98.8Very high97.2Very high29 Ų2948.2 Ų48.215%0.15225%0.253CS..EExtended strand (participates in β ladder)trans-111.8130164.8-65.3168.6000108.4M404 E406 L714 F715 A717L40-M404 HydrophobicContact CB-CB 4.15Å; L40-M404 HydrophobicContact CB-SD 4.18Å; L40-M404 HydrophobicContact CD2-CB 4.27Å; L40-E406 HydrophobicContact CD2-CG 3.69Å; L40-L714 WeakPolarHBondContact O-CA 3.17Å; L40-F715 HydrophobicContact CB-CB 4.43Å; L40-F715 PolarHBondContact N-O 2.95Å; L40-F715 WeakPolarHBondContact O-CD2 3.45Å; L40-F715 PolarHBondContact O-N 3.47Å; L40-A717 HydrophobicContact CG-CB 4.18Å
41A98.5Very high97.1Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-104.3143.8173.300000109.6Y43 M404 A405 V407 R713 L714 I739A41-Y43 HydrophobicContact CB-CD2 4.35Å; A41-Y43 PolarHBondContact O-N 3.34Å; A41-M404 WeakPolarHBondContact O-CB 3.38Å; A41-M404 WeakPolarHBondContact O-CG 3.39Å; A41-A405 PolarHBondContact N-O 2.77Å; A41-A405 PolarHBondContact O-N 3.23Å; A41-V407 HydrophobicContact CB-CG2 4.15Å; A41-R713 WeakPolarHBondContact CA-O 3.42Å; A41-L714 HydrophobicContact CB-CD2 3.97Å; A41-I739 HydrophobicContact CB-CD1 3.92Å; A41-I739 HydrophobicContact CB-CG2 4.07Å
42N98.3Very high97Very high0 Ų049.1 Ų49.10%026%0.256CS..SBendtrans-74.645.8172.867.9-29.6000113N215 I216 I378 M404 H711 T712 R713 F715N42-N215 PolarHBondContact ND2-ND2 2.81Å; N42-N215 WeakPolarHBondContact O-CA 3.42Å; N42-N215 PolarHBondContact O-ND2 2.84Å; N42-N215 PolarHBondContact OD1-ND2 2.92Å; N42-I216 VanDerWaalsContact CB-O 3.31Å; N42-I216 WeakPolarHBondContact CB-O 3.24Å; N42-I216 PolarHBondContact ND2-O 3.49Å; N42-I216 PolarHBondContact O-N 2.97Å; N42-I378 HydrophobicContact CB-CD1 4.09Å; N42-I378 HydrophobicContact CB-CG2 4.32Å; N42-M404 HydrophobicContact CB-CE 4.29Å; N42-H711 PolarHBondContact ND2-O 2.89Å; N42-T712 WeakPolarHBondContact OD1-CA 3.42Å; N42-R713 PolarHBondContact N-O 3.06Å; N42-R713 PolarHBondContact OD1-N 3.39Å; N42-R713 PolarHBondContact OD1-O 2.57Å; N42-F715 HydrophobicContact CB-CE2 4.31Å
43Y98.3Very high96.9Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-117131.1177.9-84-128.5000106.2A41 R206 M213 L214 N215 A405 T712 I739 Y748A41-Y43 HydrophobicContact CB-CD2 4.35Å; A41-Y43 PolarHBondContact O-N 3.34Å; Y43-R206 WeakPolarHBondContact OH-CD 3.37Å; Y43-M213 HydrophobicContact CD1-CB 3.44Å; Y43-M213 VanDerWaalsContact CD1-CB 3.44Å; Y43-M213 HydrophobicContact CD1-CG 3.81Å; Y43-M213 HydrophobicContact CE1-CB 4.15Å; Y43-M213 HydrophobicContact CG-CB 4.29Å; Y43-L214 WeakPolarHBondContact CA-O 3.46Å; Y43-N215 HydrophobicContact CD2-CB 4.12Å; Y43-N215 WeakPolarHBondContact CD2-ND2 3.46Å; Y43-N215 HydrophobicContact CE2-CB 3.84Å; Y43-N215 VanDerWaalsContact CE2-ND2 3.3Å; Y43-N215 WeakPolarHBondContact CE2-ND2 3.41Å; Y43-A405 VanDerWaalsContact O-CB 3.29Å; Y43-A405 WeakPolarHBondContact O-CB 3.3Å; Y43-A405 PolarHBondContact O-N 2.92Å; Y43-T712 HydrophobicContact CD2-CG2 4.4Å; Y43-T712 HydrophobicContact CE2-CG2 3.61Å; Y43-T712 PolarHBondContact OH-OG1 2.84Å; Y43-I739 HydrophobicContact CD1-CB 3.84Å; Y43-I739 HydrophobicContact CD1-CG2 3.79Å; Y43-I739 HydrophobicContact CE1-CB 3.96Å; Y43-I739 HydrophobicContact CE1-CG2 4.42Å; Y43-I739 HydrophobicContact CG-CB 4.29Å; Y43-I739 HydrophobicContact CG-CG2 3.91Å; Y43-Y748 PolarHBondContact OH-OH 3.08Å
44F97.6Very high96.9Very high0 Ų043.5 Ų43.50%022%0.217CC..EExtended strand (participates in β ladder)trans-119.3123-176.8-61.6-85.7000107.1V46 L214 I216 I378 M382 V400 K401 D402 D403 M404F44-V46 PolarHBondContact O-N 3.04Å; F44-L214 HydrophobicContact CB-CB 4.28Å; F44-L214 WeakPolarHBondContact CD2-O 3.42Å; F44-L214 PolarHBondContact N-O 2.99Å; F44-L214 PolarHBondContact O-N 2.82Å; F44-I216 HydrophobicContact CD2-CB 4.2Å; F44-I216 HydrophobicContact CD2-CG1 4.15Å; F44-I216 HydrophobicContact CE2-CB 3.94Å; F44-I216 HydrophobicContact CE2-CG1 4.36Å; F44-I378 HydrophobicContact CE2-CG2 4.07Å; F44-I378 HydrophobicContact CZ-CG2 3.94Å; F44-M382 HydrophobicContact CB-CE 4.03Å; F44-M382 HydrophobicContact CD1-CE 3.74Å; F44-M382 HydrophobicContact CD1-CG 4.02Å; F44-M382 HydrophobicContact CD1-SD 4.3Å; F44-M382 HydrophobicContact CD2-CE 4.09Å; F44-M382 HydrophobicContact CD2-CG 4.14Å; F44-M382 HydrophobicContact CD2-SD 3.87Å; F44-M382 HydrophobicContact CE1-CB 4.33Å; F44-M382 HydrophobicContact CE1-CE 4.27Å; F44-M382 HydrophobicContact CE1-CG 3.56Å; F44-M382 HydrophobicContact CE1-SD 4.37Å; F44-M382 HydrophobicContact CE2-CG 3.71Å; F44-M382 HydrophobicContact CE2-SD 3.97Å; F44-M382 HydrophobicContact CG-CE 3.65Å; F44-M382 HydrophobicContact CG-CG 4.31Å; F44-M382 HydrophobicContact CG-SD 4.07Å; F44-M382 HydrophobicContact CZ-CB 4.49Å; F44-M382 HydrophobicContact CZ-CG 3.39Å; F44-M382 HydrophobicContact CZ-SD 4.23Å; F44-V400 HydrophobicContact CB-CG1 4.05Å; F44-K401 WeakPolarHBondContact CB-O 3.37Å; F44-K401 WeakPolarHBondContact CD1-O 3.36Å; F44-D402 VanDerWaalsContact CE1-O 3.27Å; F44-D402 WeakPolarHBondContact CE1-O 3.38Å; F44-D403 VanDerWaalsContact CD1-O 3.29Å; F44-D403 WeakPolarHBondContact CD1-O 3.46Å; F44-M404 HydrophobicContact CE1-CB 4.47Å; F44-M404 HydrophobicContact CE1-CG 3.89Å; F44-M404 HydrophobicContact CZ-CE 4.43Å; F44-M404 HydrophobicContact CZ-CG 3.68Å
45E96.8Very high96.9Very high38 Ų3843.1 Ų43.118%0.17821%0.208CC..EExtended strand (participates in β ladder)trans-61.3135.1-176.3-68.6174.4-130.300110.4K211 M213 V400 K401E45-K211 HydrophobicContact CB-CD 4.47Å; E45-K211 HydrophobicContact CG-CD 4.33Å; E45-K211 WeakPolarHBondContact OE2-CD 3.48Å; E45-K211 WeakPolarHBondContact OE2-CE 3.49Å; E45-K211 IonicContact OE2-NZ 3.08Å; E45-K211 PolarHBondContact OE2-NZ 3.04Å; E45-M213 HydrophobicContact CB-SD 4.46Å; E45-M213 HydrophobicContact CG-CE 3.97Å; E45-M213 HydrophobicContact CG-SD 3.87Å; E45-V400 WeakPolarHBondContact O-CA 3.44Å; E45-K401 HydrophobicContact CB-CB 4.12Å; E45-K401 HydrophobicContact CB-CD 4.37Å; E45-K401 PolarHBondContact O-N 2.85Å; E45-K401 IonicContact OE1-NZ 3.98Å; E45-K401 PolarHBondContact OE1-NZ 3.4Å
46V96.6Very high96.9Very high4 Ų436.8 Ų36.82%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-113.2117.5177.6-174.80000108.9F44 I48 M165 M212 L214 I398 K399F44-V46 PolarHBondContact O-N 3.04Å; V46-I48 HydrophobicContact CG1-CG2 3.89Å; V46-M165 HydrophobicContact CG1-CE 4.49Å; V46-M165 HydrophobicContact CG1-SD 4.27Å; V46-M165 HydrophobicContact CG2-CE 4.14Å; V46-M165 HydrophobicContact CG2-SD 4.34Å; V46-M212 HydrophobicContact CB-CB 4.07Å; V46-M212 PolarHBondContact N-O 3.16Å; V46-L214 HydrophobicContact CG2-CB 3.65Å; V46-I398 HydrophobicContact CG1-CG2 3.59Å; V46-K399 CarbonylContact C-O 3.6Å; V46-K399 WeakPolarHBondContact CA-O 3.36Å
47E95.2Very high96.8Very high109 Ų10934.7 Ų34.751%0.50916%0.163SC..EExtended strand (participates in β ladder)trans-88.1125.1169.4-58.7-177.3170.600108.8I398 K399E47-I398 WeakPolarHBondContact O-CA 3.31Å; E47-K399 HydrophobicContact CB-CB 4.2Å; E47-K399 PolarHBondContact N-O 2.85Å; E47-K399 PolarHBondContact O-N 2.82Å
48I94.1Very high96.6Very high14 Ų1434.5 Ų34.57%0.07216%0.162CC..  trans-115.6145178.764.1-177.7000109.8V46 W139 L142 Q143 L161 M212V46-I48 HydrophobicContact CG1-CG2 3.89Å; I48-W139 HydrophobicContact CB-CE3 4.35Å; I48-W139 HydrophobicContact CD1-CB 4.4Å; I48-L142 HydrophobicContact CD1-CD2 3.83Å; I48-L142 HydrophobicContact CD1-CG 4.23Å; I48-Q143 HydrophobicContact CD1-CG 3.7Å; I48-Q143 HydrophobicContact CG1-CG 3.68Å; I48-Q143 PolarHBondContact O-NE2 3.19Å; I48-L161 HydrophobicContact CG2-CD1 3.92Å; I48-L161 HydrophobicContact CG2-CD2 3.77Å; I48-M212 HydrophobicContact CD1-CG 4.1Å
49P94.3Very high96.5Very high34 Ų3430.3 Ų30.322%0.22115%0.146CC..  trans-74.6150.9175.429.3-33.7000111.6M51 W139 F396P49-M51 VanDerWaalsContact C-N 3.3Å; P49-M51 HydrophobicContact CB-CG 4.29Å; P49-M51 HydrophobicContact CB-SD 4.12Å; P49-M51 HydrophobicContact CG-CE 3.66Å; P49-M51 HydrophobicContact CG-CG 3.95Å; P49-M51 HydrophobicContact CG-SD 3.6Å; P49-M51 PolarHBondContact O-N 2.83Å; P49-W139 HydrophobicContact CG-CE3 4.05Å; P49-W139 HydrophobicContact CG-CZ3 4.15Å; P49-F396 VanDerWaalsContact CG-O 3.24Å; P49-F396 WeakPolarHBondContact CG-O 3.33Å
50K93.1Very high96.3Very high138 Ų13830.6 Ų30.660%0.615%0.148SC*.SBendtrans-8076.4172.8-71-178.7-178.2-176.90110.4R140K50-R140 HydrophobicContact CB-CB 4.45Å
51M94.2Very high96.1Very high50 Ų5035 Ų3525%0.24617%0.165CC..  trans-138.5169.3-178.571.9-173.4-171.700112.4P49 V53 V102 W139 F396P49-M51 VanDerWaalsContact C-N 3.3Å; P49-M51 HydrophobicContact CB-CG 4.29Å; P49-M51 HydrophobicContact CB-SD 4.12Å; P49-M51 HydrophobicContact CG-CE 3.66Å; P49-M51 HydrophobicContact CG-CG 3.95Å; P49-M51 HydrophobicContact CG-SD 3.6Å; P49-M51 PolarHBondContact O-N 2.83Å; M51-V53 HydrophobicContact CE-CG2 4.06Å; M51-V102 HydrophobicContact CE-CB 4.41Å; M51-V102 HydrophobicContact CE-CG1 3.75Å; M51-W139 HydrophobicContact CE-CE3 3.91Å; M51-W139 HydrophobicContact CE-CZ3 3.64Å; M51-W139 HydrophobicContact CG-CE3 4.43Å; M51-W139 WeakPolarHBondContact O-CB 3.39Å; M51-W139 PolarHBondContact O-N 3.3Å; M51-F396 HydrophobicContact CE-CD1 4.3Å; M51-F396 WeakPolarHBondContact CE-O 3.27Å
52D95.3Very high95.7Very high67 Ų6738.5 Ų38.536%0.35819%0.188SC..EExtended strand (participates in β ladder)trans-94.4142.1166.3-64.8-27.9000109.8V137 S138D52-V137 WeakPolarHBondContact CA-O 3.18Å; D52-S138 WeakPolarHBondContact OD1-CA 3.33Å; D52-S138 VanDerWaalsContact OD1-CB 3.24Å; D52-S138 WeakPolarHBondContact OD1-CB 3.46Å; D52-S138 PolarHBondContact OD1-OG 3.04Å
53V96.8Very high94.9Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-110.2140.8175176.30000108.6M51 Y100 V137 W139 F396M51-V53 HydrophobicContact CE-CG2 4.06Å; V53-Y100 HydrophobicContact CG1-CD1 4.07Å; V53-Y100 HydrophobicContact CG1-CG 4.39Å; V53-V137 HydrophobicContact CB-CB 4.43Å; V53-V137 PolarHBondContact N-O 2.81Å; V53-V137 PolarHBondContact O-N 3.39Å; V53-W139 HydrophobicContact CG2-CD2 3.86Å; V53-W139 HydrophobicContact CG2-CE3 4.05Å; V53-W139 HydrophobicContact CG2-CG 4.43Å; V53-W139 HydrophobicContact CG2-CH2 4.16Å; V53-W139 HydrophobicContact CG2-CZ2 3.96Å; V53-W139 HydrophobicContact CG2-CZ3 4.21Å; V53-F396 HydrophobicContact CG1-CE1 3.78Å; V53-F396 HydrophobicContact CG2-CD1 4.4Å; V53-F396 HydrophobicContact CG2-CE1 4.34Å
54Y97.3Very high94.3Very high48 Ų4852.9 Ų52.919%0.18826%0.256CS..EExtended strand (participates in β ladder)trans-94.1123.6-178.2-63.6-97.9000110.1Y56 Y100 T101 V102 A104 K136Y54-Y56 WeakPolarHBondContact CB-OH 3.4Å; Y54-Y100 VanDerWaalsContact O-CA 3.24Å; Y54-Y100 WeakPolarHBondContact O-CA 3.41Å; Y54-T101 PolarHBondContact N-O 2.81Å; Y54-T101 PolarHBondContact O-N 2.9Å; Y54-V102 WeakPolarHBondContact CE2-O 3.19Å; Y54-A104 HydrophobicContact CD1-CB 3.87Å; Y54-A104 HydrophobicContact CE1-CB 3.59Å; Y54-A104 HydrophobicContact CE2-CB 4.43Å; Y54-A104 HydrophobicContact CG-CB 4.41Å; Y54-K136 HydrophobicContact CD1-CG 4.34Å; Y54-K136 HydrophobicContact CE1-CD 4.45Å; Y54-K136 HydrophobicContact CE1-CG 4.24Å
55H97.6Very high93.7Very high18 Ų1854.3 Ų54.38%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-105.3128-179.7179.5-159.6000110.6N98 Y100 L134 A135 V137H55-N98 PolarHBondContact CE1-OD1 2.91Å; H55-N98 PolarHBondContact NE2-OD1 2.67Å; H55-Y100 HydrophobicContact CB-CD1 3.81Å; H55-Y100 HydrophobicContact CB-CE1 3.65Å; H55-Y100 AromaticContact CD2-CE1 3.45Å; H55-Y100 VanDerWaalsContact CD2-CE1 3.45Å; H55-Y100 WeakPolarHBondContact CD2-CE1 3.25Å; H55-Y100 AromaticContact CD2-CZ 3.71Å; H55-Y100 AromaticContact CG-CE1 3.44Å; H55-Y100 VanDerWaalsContact CG-CE1 3.44Å; H55-Y100 AromaticContact NE2-CZ 3.96Å; H55-L134 VanDerWaalsContact CE1-CD2 3.41Å; H55-L134 WeakPolarHBondContact CE1-CD2 3.45Å; H55-L134 PolarHBondContact O-N 3.26Å; H55-A135 PolarHBondContact N-O 2.87Å; H55-A135 PolarHBondContact O-N 2.7Å; H55-V137 HydrophobicContact CB-CG2 4.01Å
56Y97.1Very high93.3Very high2 Ų256.5 Ų56.51%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-119.7140.6176.7-53.8-93.4000110.5Y54 I99 T101 A104 L105 I107 I131 R132 W133Y54-Y56 WeakPolarHBondContact CB-OH 3.4Å; Y56-I99 PolarHBondContact N-O 3.06Å; Y56-I99 PolarHBondContact O-N 3.42Å; Y56-T101 HydrophobicContact CE2-CG2 4.31Å; Y56-T101 WeakPolarHBondContact CE2-OG1 3.4Å; Y56-A104 WeakPolarHBondContact OH-CA 3.4Å; Y56-L105 HydrophobicContact CD1-CD1 4.22Å; Y56-L105 HydrophobicContact CD2-CD1 4.18Å; Y56-L105 HydrophobicContact CE1-CB 4.07Å; Y56-L105 HydrophobicContact CE1-CD1 4Å; Y56-L105 HydrophobicContact CE1-CG 4.23Å; Y56-L105 HydrophobicContact CE2-CD1 3.97Å; Y56-L105 HydrophobicContact CE2-CG 4.05Å; Y56-L105 HydrophobicContact CG-CD1 4.31Å; Y56-L105 PolarHBondContact OH-N 3.31Å; Y56-I107 HydrophobicContact CD1-CD1 3.78Å; Y56-I107 HydrophobicContact CE1-CD1 3.75Å; Y56-I107 HydrophobicContact CE1-CG1 4.03Å; Y56-I131 HydrophobicContact CD1-CG2 4.11Å; Y56-I131 HydrophobicContact CG-CG2 4.26Å; Y56-R132 CarbonylContact C-O 3.56Å; Y56-R132 VanDerWaalsContact CA-O 3.25Å; Y56-R132 WeakPolarHBondContact CA-O 3.24Å; Y56-W133 HydrophobicContact CD1-CB 4.01Å; Y56-W133 HydrophobicContact CE1-CB 3.96Å; Y56-W133 AromaticContact CE1-CD1 3.8Å; Y56-W133 HydrophobicContact CE1-CG 4.31Å
57E96.3Very high93Very high43 Ų4363.1 Ų63.120%0.20131%0.308CS..EExtended strand (participates in β ladder)trans-82.4133164-171.2178.6-166.800109.2K97 I131 R132E57-K97 CarbonylContact C-O 3.57Å; E57-K97 VanDerWaalsContact CA-O 3.26Å; E57-K97 WeakPolarHBondContact CA-O 3.42Å; E57-K97 IonicContact OE1-NZ 2.94Å; E57-K97 PolarHBondContact OE1-NZ 3.08Å; E57-I131 WeakPolarHBondContact O-CA 2.85Å; E57-R132 PolarHBondContact N-O 2.86Å; E57-R132 PolarHBondContact O-N 2.85Å; E57-R132 IonicContact OE2-CZ 3.64Å; E57-R132 IonicContact OE2-NE 2.7Å; E57-R132 IonicContact OE2-NH2 3.9Å; E57-R132 PolarHBondContact OE2-NH2 3.09Å
58V95.7Very high92.7Very high0 Ų066.1 Ų66.10%032%0.315CS..EExtended strand (participates in β ladder)trans-116.2130.5169.963.10000110.4I60 Y93 K97 I99 V129 S130 I131V58-I60 HydrophobicContact CG2-CG1 4.12Å; V58-Y93 HydrophobicContact CG1-CD2 4.07Å; V58-Y93 HydrophobicContact CG1-CE2 3.35Å; V58-K97 PolarHBondContact N-O 2.88Å; V58-K97 WeakPolarHBondContact O-CA 3.26Å; V58-I99 HydrophobicContact CB-CD1 3.84Å; V58-I99 HydrophobicContact CB-CG1 4.24Å; V58-I99 HydrophobicContact CG1-CD1 3.88Å; V58-I99 HydrophobicContact CG1-CG1 3.85Å; V58-I99 HydrophobicContact CG2-CD1 4.14Å; V58-V129 HydrophobicContact CG2-CG1 3.55Å; V58-S130 CarbonylContact C-O 3.52Å; V58-S130 VanDerWaalsContact CA-O 3.26Å; V58-S130 WeakPolarHBondContact CA-O 3.44Å; V58-I131 HydrophobicContact CG2-CG1 4.42Å
59D95.6Very high92.5Very high42 Ų4266.5 Ų66.523%0.22532%0.317CS..EExtended strand (participates in β ladder)trans-118.2124.2173-17653.9000109.3K61 V129 S130D59-K61 WeakPolarHBondContact OD2-CE 3.49Å; D59-V129 CarbonylContact O-C 3.47Å; D59-V129 WeakPolarHBondContact O-CA 3.31Å; D59-S130 WeakPolarHBondContact CB-OG 3.07Å; D59-S130 PolarHBondContact N-O 3.43Å; D59-S130 PolarHBondContact O-N 3.18Å; D59-S130 PolarHBondContact O-OG 3.26Å
60I94.9Very high92.5Very high7 Ų765.6 Ų65.64%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-115125.9-175.6-58.4174.6000108.3V58 P62 D63 N70 V73 V74 F127 V129V58-I60 HydrophobicContact CG2-CG1 4.12Å; I60-P62 CarbonylContact O-C 3.54Å; I60-D63 VanDerWaalsContact O-CA 3.28Å; I60-D63 WeakPolarHBondContact O-CA 3.26Å; I60-D63 PolarHBondContact O-N 3.48Å; I60-N70 HydrophobicContact CD1-CB 3.85Å; I60-V73 HydrophobicContact CD1-CB 4.37Å; I60-V73 HydrophobicContact CD1-CG1 4.28Å; I60-V73 HydrophobicContact CG2-CG1 4.27Å; I60-V74 HydrophobicContact CD1-CG2 4.1Å; I60-F127 HydrophobicContact CG2-CB 4.44Å; I60-F127 HydrophobicContact CG2-CD1 3.88Å; I60-V129 HydrophobicContact CG1-CG1 4.18Å; I60-V129 HydrophobicContact CG1-CG2 4.28Å; I60-V129 HydrophobicContact CG2-CG2 4.39Å
61K93.8Very high92.6Very high120 Ų12060.1 Ų60.152%0.52229%0.286SS..EExtended strand (participates in β ladder)trans-113.8129.1174.2-66.8-175.9-179.6179.20110.5D59 F127 K128D59-K61 WeakPolarHBondContact OD2-CE 3.49Å; K61-F127 WeakPolarHBondContact O-CA 3.27Å; K61-K128 HydrophobicContact CB-CB 4.34Å; K61-K128 PolarHBondContact N-O 3.22Å; K61-K128 PolarHBondContact O-N 2.88Å
62P90.8Very high92.5Very high74 Ų7460.7 Ų60.748%0.48129%0.288SS..SBendcis-70144.12.228-35.6000114.7I60 F127I60-P62 CarbonylContact O-C 3.54Å; P62-F127 HydrophobicContact CG-CE1 4.25Å
63D82.3Confident92.5Very high115 Ų11557.5 Ų57.562%0.61527%0.271SS*.THydrogen-bonded Turntrans-84.6-13.1-168.866.8-29.4000114.7I60 C65I60-D63 VanDerWaalsContact O-CA 3.28Å; I60-D63 WeakPolarHBondContact O-CA 3.26Å; I60-D63 PolarHBondContact O-N 3.48Å; D63-C65 VanDerWaalsContact C-N 3.3Å; D63-C65 PolarHBondContact O-N 2.87Å
64K85.5Confident92.4Very high188 Ų18857.7 Ų57.782%0.81727%0.273SS*.THydrogen-bonded Turntrans-91.217-178.9-65.9-179.8-174.5175.40113.9
65C84.9Confident92.3Very high30 Ų3057.7 Ų57.720%0.20328%0.275CS..  trans-72145178.7-77.90000112.2D63 V69 N70D63-C65 VanDerWaalsContact C-N 3.3Å; D63-C65 PolarHBondContact O-N 2.87Å; C65-V69 HydrophobicContact CB-CB 4.28Å; C65-V69 HydrophobicContact CB-CG1 4.18Å; C65-N70 WeakPolarHBondContact CB-OD1 3.27Å
66P87Confident92.1Very high84 Ų8460.6 Ų60.655%0.54529%0.285SS..  trans-58.4145.6171.4-22.232.5000111.1R68 V69 N70P66-R68 PolarHBondContact O-N 3.4Å; P66-V69 HydrophobicContact CB-CG2 4.3Å; P66-V69 HydrophobicContact CG-CG2 4.18Å; P66-V69 WeakPolarHBondContact O-CA 3.46Å; P66-V69 WeakPolarHBondContact O-CB 3.4Å; P66-V69 PolarHBondContact O-N 2.86Å; P66-N70 PolarHBondContact O-N 3.03Å; P66-N70 VanDerWaalsContact O-N 3.07Å
67R90.8Very high92Very high143 Ų14360.5 Ų60.554%0.5429%0.285SS..Hα-helixtrans-51.5-35.3179.1-64.6-166.9-167.1-168.34.9114N70 R71 K96R67-N70 PolarHBondContact O-N 3.12Å; R67-R71 WeakPolarHBondContact O-CG 3.15Å; R67-R71 PolarHBondContact O-N 2.98Å; R67-K96 HydrophobicContact CG-CG 4.34Å; R67-K96 VanDerWaalsContact NH2-CE 3.29Å
68R89.4Confident91.9Very high171 Ų17159.7 Ų59.765%0.64528%0.283SS*.Hα-helixtrans-61.3-44.6175.8178.6174.1172.1160.34.3111.6P66 R71 E72P66-R68 PolarHBondContact O-N 3.4Å; R68-R71 PolarHBondContact O-N 2.84Å; R68-E72 WeakPolarHBondContact CG-OE1 3.43Å; R68-E72 IonicContact NE-OE1 3.1Å; R68-E72 PolarHBondContact NE-OE1 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.38Å; R68-E72 PolarHBondContact O-N 3.45Å
69V90.1Very high91.7Very high22 Ų2265.4 Ų65.413%0.13331%0.31CS..Hα-helixtrans-63.7-44176178.30000110C65 P66 R71 E72 V73 F127C65-V69 HydrophobicContact CB-CB 4.28Å; C65-V69 HydrophobicContact CB-CG1 4.18Å; P66-V69 HydrophobicContact CB-CG2 4.3Å; P66-V69 HydrophobicContact CG-CG2 4.18Å; P66-V69 WeakPolarHBondContact O-CA 3.46Å; P66-V69 WeakPolarHBondContact O-CB 3.4Å; P66-V69 PolarHBondContact O-N 2.86Å; V69-R71 PolarHBondContact O-N 3.4Å; V69-E72 WeakPolarHBondContact O-CB 3.36Å; V69-E72 PolarHBondContact O-N 3.09Å; V69-E72 VanDerWaalsContact O-N 3.09Å; V69-V73 HydrophobicContact CG1-CG2 4.38Å; V69-V73 VanDerWaalsContact O-CG2 3.26Å; V69-V73 WeakPolarHBondContact O-CG2 3.21Å; V69-V73 PolarHBondContact O-N 3.24Å; V69-F127 HydrophobicContact CG1-CE1 4.45Å; V69-F127 HydrophobicContact CG1-CZ 4.02Å
70N94.4Very high91.6Very high15 Ų1568.6 Ų68.68%0.0832%0.323CS..Hα-helixtrans-58.1-37.2176.6-65.90.9000112.2I60 C65 P66 R67 V73 V74 Y93 G95I60-N70 HydrophobicContact CD1-CB 3.85Å; C65-N70 WeakPolarHBondContact CB-OD1 3.27Å; P66-N70 PolarHBondContact O-N 3.03Å; P66-N70 VanDerWaalsContact O-N 3.07Å; R67-N70 PolarHBondContact O-N 3.12Å; N70-V73 WeakPolarHBondContact O-CB 3.48Å; N70-V73 PolarHBondContact O-N 2.85Å; N70-V74 WeakPolarHBondContact O-CG2 3.44Å; N70-V74 PolarHBondContact O-N 3.47Å; N70-Y93 HydrophobicContact CB-CE1 4.12Å; N70-Y93 WeakPolarHBondContact O-CE1 3.49Å; N70-G95 PolarHBondContact ND2-O 3.06Å
71R94.7Very high91.5Very high23 Ų2369.8 Ų69.89%0.08733%0.328CS..Hα-helixtrans-69.9-40.5175.8-66.6173.5175.9-76.8-7.6112.3R67 R68 V69 V73 V74 E75 Y93 D94 M171R67-R71 WeakPolarHBondContact O-CG 3.15Å; R67-R71 PolarHBondContact O-N 2.98Å; R68-R71 PolarHBondContact O-N 2.84Å; V69-R71 PolarHBondContact O-N 3.4Å; R71-V73 VanDerWaalsContact C-N 3.28Å; R71-V73 PolarHBondContact O-N 2.92Å; R71-V74 PolarHBondContact O-N 2.86Å; R71-E75 WeakPolarHBondContact O-CB 3.28Å; R71-E75 PolarHBondContact O-N 3.41Å; R71-Y93 HydrophobicContact CB-CD1 4.48Å; R71-Y93 HydrophobicContact CG-CD1 3.96Å; R71-Y93 HydrophobicContact CG-CE1 4.23Å; R71-Y93 PolarHBondContact NH1-O 3.14Å; R71-Y93 PolarHBondContact NH2-O 3.09Å; R71-Y93 VanDerWaalsContact NH2-O 3.17Å; R71-D94 PolarHBondContact NH2-O 2.95Å; R71-M171 HydrophobicContact CB-CE 4.39Å; R71-M171 HydrophobicContact CB-SD 3.41Å; R71-M171 WeakPolarHBondContact CB-SD 3.41Å; R71-M171 HydrophobicContact CG-SD 4.19Å
72E92.3Very high91.5Very high62 Ų6268.6 Ų68.629%0.2932%0.322SS..Hα-helixtrans-58.9-40.3172.2-69.1165.2-167.800111.3R68 V69 Y76R68-E72 WeakPolarHBondContact CG-OE1 3.43Å; R68-E72 IonicContact NE-OE1 3.1Å; R68-E72 PolarHBondContact NE-OE1 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.38Å; R68-E72 PolarHBondContact O-N 3.45Å; V69-E72 WeakPolarHBondContact O-CB 3.36Å; V69-E72 PolarHBondContact O-N 3.09Å; V69-E72 VanDerWaalsContact O-N 3.09Å; E72-Y76 PolarHBondContact O-N 2.95Å
73V94.4Very high91.5Very high0 Ų070.5 Ų70.50%034%0.335CS..Hα-helixtrans-60.5-51.2174.1177.20000111.2I60 V69 N70 R71 Y76 M77 V116 I118 F127 V129I60-V73 HydrophobicContact CD1-CB 4.37Å; I60-V73 HydrophobicContact CD1-CG1 4.28Å; I60-V73 HydrophobicContact CG2-CG1 4.27Å; V69-V73 HydrophobicContact CG1-CG2 4.38Å; V69-V73 VanDerWaalsContact O-CG2 3.26Å; V69-V73 WeakPolarHBondContact O-CG2 3.21Å; V69-V73 PolarHBondContact O-N 3.24Å; N70-V73 WeakPolarHBondContact O-CB 3.48Å; N70-V73 PolarHBondContact O-N 2.85Å; R71-V73 VanDerWaalsContact C-N 3.28Å; R71-V73 PolarHBondContact O-N 2.92Å; V73-Y76 PolarHBondContact O-N 3.47Å; V73-M77 WeakPolarHBondContact O-CB 3.49Å; V73-M77 PolarHBondContact O-N 2.87Å; V73-V116 HydrophobicContact CG1-CB 4.28Å; V73-V116 HydrophobicContact CG1-CG1 4.12Å; V73-I118 HydrophobicContact CB-CD1 4.06Å; V73-I118 HydrophobicContact CG2-CD1 3.46Å; V73-I118 VanDerWaalsContact CG2-CD1 3.46Å; V73-F127 HydrophobicContact CG1-CB 4.14Å; V73-F127 HydrophobicContact CG1-CG 4.3Å; V73-F127 HydrophobicContact CG2-CD1 3.95Å; V73-F127 HydrophobicContact CG2-CD2 3.83Å; V73-F127 HydrophobicContact CG2-CE1 4.05Å; V73-F127 HydrophobicContact CG2-CE2 3.92Å; V73-F127 HydrophobicContact CG2-CG 3.84Å; V73-F127 HydrophobicContact CG2-CZ 4.03Å; V73-V129 HydrophobicContact CG1-CG2 3.54Å
74V95.5Very high91.7Very high5 Ų570.9 Ų70.93%0.0333%0.333CS..Hα-helixtrans-67-38-178.51730000111.5I60 N70 R71 M77 V78 Y93 I99I60-V74 HydrophobicContact CD1-CG2 4.1Å; N70-V74 WeakPolarHBondContact O-CG2 3.44Å; N70-V74 PolarHBondContact O-N 3.47Å; R71-V74 PolarHBondContact O-N 2.86Å; V74-M77 HydrophobicContact CB-CE 4.42Å; V74-M77 HydrophobicContact CG1-CE 4.1Å; V74-M77 HydrophobicContact CG2-CE 4.23Å; V74-M77 WeakPolarHBondContact O-CB 3.37Å; V74-M77 PolarHBondContact O-N 3.43Å; V74-V78 HydrophobicContact CG1-CG2 4.26Å; V74-V78 VanDerWaalsContact O-CG2 3.27Å; V74-V78 WeakPolarHBondContact O-CG2 3.38Å; V74-V78 PolarHBondContact O-N 2.88Å; V74-Y93 HydrophobicContact CB-CD1 3.78Å; V74-Y93 HydrophobicContact CB-CE1 4.03Å; V74-Y93 HydrophobicContact CB-CG 4.38Å; V74-Y93 HydrophobicContact CG1-CD1 4.09Å; V74-Y93 HydrophobicContact CG1-CG 4.22Å; V74-Y93 HydrophobicContact CG2-CD1 3.67Å; V74-Y93 HydrophobicContact CG2-CE1 3.46Å; V74-Y93 VanDerWaalsContact CG2-CE1 3.46Å; V74-Y93 HydrophobicContact CG2-CE2 4.48Å; V74-Y93 HydrophobicContact CG2-CG 4.23Å; V74-I99 HydrophobicContact CG1-CD1 3.93Å; V74-I99 HydrophobicContact CG2-CD1 4.34Å
75E94.3Very high92Very high48 Ų4862.1 Ų62.122%0.22430%0.295CS..Hα-helixtrans-59-49.7175-177.264.5-147.300111.4R71 M77 V78 Q79 M171R71-E75 WeakPolarHBondContact O-CB 3.28Å; R71-E75 PolarHBondContact O-N 3.41Å; E75-M77 VanDerWaalsContact C-N 3.32Å; E75-M77 PolarHBondContact O-N 3.31Å; E75-V78 PolarHBondContact O-N 2.85Å; E75-Q79 WeakPolarHBondContact O-CG 3.32Å; E75-Q79 PolarHBondContact O-N 3.18Å; E75-Q79 VanDerWaalsContact O-N 3.09Å; E75-Q79 PolarHBondContact OE1-NE2 2.91Å; E75-M171 HydrophobicContact CB-CE 4.06Å; E75-M171 HydrophobicContact CG-CE 4.23Å
76Y94.2Very high92.4Very high79 Ų7960.7 Ų60.731%0.3129%0.286SS..Hα-helixtrans-62.8-41.2177.8-167.2-81.8000111.5E72 V73 V78 Q79 H80 V116 T117 P119E72-Y76 PolarHBondContact O-N 2.95Å; V73-Y76 PolarHBondContact O-N 3.47Å; Y76-V78 PolarHBondContact O-N 2.94Å; Y76-Q79 PolarHBondContact O-N 3.49Å; Y76-H80 HydrophobicContact CD1-CB 4.13Å; Y76-H80 HydrophobicContact CE1-CB 3.95Å; Y76-H80 VanDerWaalsContact O-CB 3.27Å; Y76-H80 WeakPolarHBondContact O-CB 3.32Å; Y76-H80 PolarHBondContact O-N 3.19Å; Y76-V116 HydrophobicContact CD1-CG1 3.84Å; Y76-V116 HydrophobicContact CG-CG1 4.47Å; Y76-T117 WeakPolarHBondContact CE1-O 3.44Å; Y76-T117 VanDerWaalsContact CZ-O 3.26Å; Y76-P119 HydrophobicContact CE2-CG 4.49Å
77M94.7Very high92.6Very high0 Ų058 Ų580%027%0.272CS..Hα-helixtrans-60.2-43.8175.8-174.5-17659.400111.8V73 V74 E75 Q79 H80 F81 F86 I99 V116 V129 I131V73-M77 WeakPolarHBondContact O-CB 3.49Å; V73-M77 PolarHBondContact O-N 2.87Å; V74-M77 HydrophobicContact CB-CE 4.42Å; V74-M77 HydrophobicContact CG1-CE 4.1Å; V74-M77 HydrophobicContact CG2-CE 4.23Å; V74-M77 WeakPolarHBondContact O-CB 3.37Å; V74-M77 PolarHBondContact O-N 3.43Å; E75-M77 VanDerWaalsContact C-N 3.32Å; E75-M77 PolarHBondContact O-N 3.31Å; M77-Q79 VanDerWaalsContact C-N 3.32Å; M77-Q79 PolarHBondContact O-N 3.35Å; M77-H80 PolarHBondContact O-N 3.4Å; M77-F81 HydrophobicContact CB-CD2 4.49Å; M77-F81 HydrophobicContact CG-CD2 3.77Å; M77-F81 HydrophobicContact CG-CE2 4.34Å; M77-F81 WeakPolarHBondContact O-CB 3.35Å; M77-F81 WeakPolarHBondContact O-CD2 3.43Å; M77-F81 PolarHBondContact O-N 3.34Å; M77-F86 HydrophobicContact CE-CZ 3.9Å; M77-F86 HydrophobicContact CG-CE2 4.17Å; M77-F86 HydrophobicContact CG-CZ 4.41Å; M77-I99 HydrophobicContact CE-CD1 4.36Å; M77-V116 HydrophobicContact CB-CG1 4.25Å; M77-V116 HydrophobicContact CB-CG2 3.84Å; M77-V116 HydrophobicContact CG-CG2 3.84Å; M77-V116 HydrophobicContact SD-CG2 4.22Å; M77-V129 HydrophobicContact CE-CG1 4.17Å; M77-V129 HydrophobicContact SD-CB 4.01Å; M77-V129 HydrophobicContact SD-CG1 3.53Å; M77-V129 VanDerWaalsContact SD-CG1 3.53Å; M77-I131 HydrophobicContact CE-CD1 3.74Å; M77-I131 HydrophobicContact SD-CD1 3.94Å
78V94.5Very high92.7Very high25 Ų2557.2 Ų57.215%0.15228%0.279CS..Hα-helixtrans-62-41.1178.4169.20000111.4V74 E75 Y76 K82 F86 P91V74-V78 HydrophobicContact CG1-CG2 4.26Å; V74-V78 VanDerWaalsContact O-CG2 3.27Å; V74-V78 WeakPolarHBondContact O-CG2 3.38Å; V74-V78 PolarHBondContact O-N 2.88Å; E75-V78 PolarHBondContact O-N 2.85Å; Y76-V78 PolarHBondContact O-N 2.94Å; V78-K82 PolarHBondContact O-N 2.95Å; V78-F86 HydrophobicContact CB-CD2 4.33Å; V78-F86 HydrophobicContact CB-CE2 4.45Å; V78-F86 HydrophobicContact CG1-CG 4.38Å; V78-F86 HydrophobicContact CG2-CD1 4.23Å; V78-F86 HydrophobicContact CG2-CD2 4.28Å; V78-F86 HydrophobicContact CG2-CE1 4.06Å; V78-F86 HydrophobicContact CG2-CE2 4.11Å; V78-F86 HydrophobicContact CG2-CG 4.34Å; V78-F86 HydrophobicContact CG2-CZ 4Å; V78-P91 HydrophobicContact CG2-CG 3.94Å
79Q92.6Very high93Very high121 Ų12152.1 Ų52.157%0.56526%0.26SS*.Hα-helixtrans-71.1-46.1178.3-66175.49.900112.3E75 Y76 M77 K82E75-Q79 WeakPolarHBondContact O-CG 3.32Å; E75-Q79 PolarHBondContact O-N 3.18Å; E75-Q79 VanDerWaalsContact O-N 3.09Å; E75-Q79 PolarHBondContact OE1-NE2 2.91Å; Y76-Q79 PolarHBondContact O-N 3.49Å; M77-Q79 VanDerWaalsContact C-N 3.32Å; M77-Q79 PolarHBondContact O-N 3.35Å; Q79-K82 WeakPolarHBondContact O-CB 3.35Å
80H93Very high93.3Very high108 Ų10854.9 Ų54.950%0.527%0.27SS..Hα-helixtrans-73.8-40.2-174.1-167.880.4000112.8Y76 M77 K82Y76-H80 HydrophobicContact CD1-CB 4.13Å; Y76-H80 HydrophobicContact CE1-CB 3.95Å; Y76-H80 VanDerWaalsContact O-CB 3.27Å; Y76-H80 WeakPolarHBondContact O-CB 3.32Å; Y76-H80 PolarHBondContact O-N 3.19Å; M77-H80 PolarHBondContact O-N 3.4Å; H80-K82 VanDerWaalsContact C-N 3.31Å; H80-K82 PolarHBondContact O-N 3.18Å
81F93Very high93.4Very high33 Ų3354.4 Ų54.415%0.14527%0.268CS..THydrogen-bonded Turntrans-96.524.4179.6-62-81.7000112.7M77 Q84 L85 F86 F114 E115 V116M77-F81 HydrophobicContact CB-CD2 4.49Å; M77-F81 HydrophobicContact CG-CD2 3.77Å; M77-F81 HydrophobicContact CG-CE2 4.34Å; M77-F81 WeakPolarHBondContact O-CB 3.35Å; M77-F81 WeakPolarHBondContact O-CD2 3.43Å; M77-F81 PolarHBondContact O-N 3.34Å; F81-Q84 VanDerWaalsContact CA-OE1 3.27Å; F81-Q84 PolarHBondContact O-N 2.73Å; F81-L85 HydrophobicContact CB-CB 4.46Å; F81-L85 PolarHBondContact O-N 3.22Å; F81-F86 HydrophobicContact CB-CD2 4.28Å; F81-F86 HydrophobicContact CB-CE2 4.11Å; F81-F86 PolarHBondContact O-N 3.39Å; F81-F114 AromaticContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CE1 4.09Å; F81-F114 HydrophobicContact CD2-CD1 4.22Å; F81-F114 AromaticContact CE1-CD1 3.79Å; F81-F114 HydrophobicContact CE1-CD1 3.79Å; F81-F114 HydrophobicContact CE1-CE1 4.45Å; F81-F114 HydrophobicContact CE2-CB 4.28Å; F81-F114 HydrophobicContact CE2-CD1 4.23Å; F81-F114 HydrophobicContact CG-CD1 4Å; F81-F114 HydrophobicContact CG-CE1 4.35Å; F81-F114 HydrophobicContact CZ-CB 4.32Å; F81-F114 HydrophobicContact CZ-CD1 4.01Å; F81-E115 WeakPolarHBondContact CZ-O 3.47Å; F81-V116 HydrophobicContact CE2-CG2 4.2Å
82K92.3Very high93.6Very high94 Ų9453.3 Ų53.341%0.40926%0.264SS..Iπ-helixtrans-56.7-50.1178.6-166.4-173.4178.7-166.80111.7V78 Q79 H80 Q84 F86 G87 D88V78-K82 PolarHBondContact O-N 2.95Å; Q79-K82 WeakPolarHBondContact O-CB 3.35Å; H80-K82 VanDerWaalsContact C-N 3.31Å; H80-K82 PolarHBondContact O-N 3.18Å; K82-Q84 PolarHBondContact O-N 3.36Å; K82-F86 PolarHBondContact O-N 3Å; K82-G87 WeakPolarHBondContact CE-O 3.36Å; K82-G87 WeakPolarHBondContact CG-O 3.33Å; K82-G87 WeakPolarHBondContact O-CA 3.36Å; K82-G87 PolarHBondContact O-N 3.45Å; K82-D88 WeakPolarHBondContact CE-OD1 3.28Å; K82-D88 IonicContact NZ-OD1 3.73Å; K82-D88 PolarHBondContact NZ-OD1 3.3Å
83P90.8Very high93.9Very high115 Ų11550.5 Ų50.575%0.74725%0.25SS*.Iπ-helixtrans-66.9-34.8-177.7-21.134.3000114
84Q88.4Confident93.9Very high122 Ų12251.5 Ų51.557%0.5726%0.256SS*.Iπ-helixtrans-86.7-34.3-173-56.585.1-4.200113.1F81 K82F81-Q84 VanDerWaalsContact CA-OE1 3.27Å; F81-Q84 PolarHBondContact O-N 2.73Å; K82-Q84 PolarHBondContact O-N 3.36Å
85L90.5Very high93.8Very high4 Ų451.2 Ų51.22%0.02125%0.254CS..Iπ-helixtrans-126.1-55.2-168.3-178.662.7000113.1F81 L105 P106 I107 F114 I131F81-L85 HydrophobicContact CB-CB 4.46Å; F81-L85 PolarHBondContact O-N 3.22Å; L85-L105 HydrophobicContact CD1-CB 4.08Å; L85-L105 HydrophobicContact CD1-CD1 4.3Å; L85-L105 HydrophobicContact CD1-CD2 4.46Å; L85-L105 HydrophobicContact CG-CD1 4.5Å; L85-L105 HydrophobicContact CG-CD2 4.43Å; L85-P106 HydrophobicContact CD1-CG 4.42Å; L85-P106 WeakPolarHBondContact O-CD 3.16Å; L85-I107 HydrophobicContact CD1-CG2 3.42Å; L85-I107 VanDerWaalsContact CD1-CG2 3.42Å; L85-F114 HydrophobicContact CD2-CE1 4.26Å; L85-F114 HydrophobicContact CD2-CE2 3.93Å; L85-F114 HydrophobicContact CD2-CZ 3.59Å; L85-F114 HydrophobicContact CG-CZ 4.49Å; L85-I131 HydrophobicContact CD2-CD1 3.75Å
86F92.6Very high93.8Very high1 Ų154.2 Ų54.20%0.00427%0.266CS..Iπ-helixtrans-86.1-28.5-165.7-59.9-73.1000113.2M77 V78 F81 K82 D88 R89 P91 L105 I131M77-F86 HydrophobicContact CE-CZ 3.9Å; M77-F86 HydrophobicContact CG-CE2 4.17Å; M77-F86 HydrophobicContact CG-CZ 4.41Å; V78-F86 HydrophobicContact CB-CD2 4.33Å; V78-F86 HydrophobicContact CB-CE2 4.45Å; V78-F86 HydrophobicContact CG1-CG 4.38Å; V78-F86 HydrophobicContact CG2-CD1 4.23Å; V78-F86 HydrophobicContact CG2-CD2 4.28Å; V78-F86 HydrophobicContact CG2-CE1 4.06Å; V78-F86 HydrophobicContact CG2-CE2 4.11Å; V78-F86 HydrophobicContact CG2-CG 4.34Å; V78-F86 HydrophobicContact CG2-CZ 4Å; F81-F86 HydrophobicContact CB-CD2 4.28Å; F81-F86 HydrophobicContact CB-CE2 4.11Å; F81-F86 PolarHBondContact O-N 3.39Å; K82-F86 PolarHBondContact O-N 3Å; F86-D88 PolarHBondContact O-N 3.03Å; F86-R89 WeakPolarHBondContact O-CB 3.41Å; F86-R89 WeakPolarHBondContact O-CD 3.44Å; F86-R89 VanDerWaalsContact O-CG 3.27Å; F86-R89 WeakPolarHBondContact O-CG 3.45Å; F86-R89 PolarHBondContact O-N 3.4Å; F86-R89 VanDerWaalsContact O-N 3.08Å; F86-R89 PolarHBondContact O-NH1 3.35Å; F86-P91 HydrophobicContact CD1-CG 3.45Å; F86-P91 VanDerWaalsContact CD1-CG 3.45Å; F86-P91 HydrophobicContact CE1-CG 3.8Å; F86-P91 HydrophobicContact CG-CG 4.37Å; F86-L105 HydrophobicContact CD1-CD2 3.86Å; F86-L105 HydrophobicContact CE1-CD1 4.23Å; F86-L105 HydrophobicContact CE1-CD2 4.32Å; F86-I131 HydrophobicContact CZ-CD1 4.1Å
87G92.8Very high93.8Very high26 Ų2654.9 Ų54.927%0.26827%0.271SS..THydrogen-bonded Turntrans52.8-137.6-170.600000110.1K82 R89K82-G87 WeakPolarHBondContact CE-O 3.36Å; K82-G87 WeakPolarHBondContact CG-O 3.33Å; K82-G87 WeakPolarHBondContact O-CA 3.36Å; K82-G87 PolarHBondContact O-N 3.45Å; G87-R89 VanDerWaalsContact C-N 3.26Å; G87-R89 PolarHBondContact O-N 2.95Å
88D92.9Very high93.9Very high128 Ų12856.3 Ų56.368%0.68428%0.279SS*.THydrogen-bonded Turntrans-83.52.7175.8-64-47.1000114.8K82 F86K82-D88 WeakPolarHBondContact CE-OD1 3.28Å; K82-D88 IonicContact NZ-OD1 3.73Å; K82-D88 PolarHBondContact NZ-OD1 3.3Å; F86-D88 PolarHBondContact O-N 3.03Å
89R94.9Very high94.1Very high64 Ų6455.2 Ų55.224%0.24227%0.272CS..  trans-66.2146.5179.8-58.2163.1-176.267.70.3110.1F86 G87 P91 L103 A104 E395F86-R89 WeakPolarHBondContact O-CB 3.41Å; F86-R89 WeakPolarHBondContact O-CD 3.44Å; F86-R89 VanDerWaalsContact O-CG 3.27Å; F86-R89 WeakPolarHBondContact O-CG 3.45Å; F86-R89 PolarHBondContact O-N 3.4Å; F86-R89 VanDerWaalsContact O-N 3.08Å; F86-R89 PolarHBondContact O-NH1 3.35Å; G87-R89 VanDerWaalsContact C-N 3.26Å; G87-R89 PolarHBondContact O-N 2.95Å; R89-P91 WeakPolarHBondContact O-CD 3.47Å; R89-L103 HydrophobicContact CG-CB 4.45Å; R89-A104 PolarHBondContact NE-O 2.8Å; R89-A104 PolarHBondContact NH2-O 3.14Å; R89-E395 WeakPolarHBondContact CA-OE1 3.39Å
90K96.7Very high94.4Very high80 Ų8049.5 Ų49.535%0.34825%0.245SC..  trans-114.290.2173.7-61176.4-169.9161.90110.8P391 Y392 E395K90-P391 HydrophobicContact CD-CB 4.23Å; K90-Y392 HydrophobicContact CB-CD1 3.87Å; K90-Y392 HydrophobicContact CB-CE1 3.98Å; K90-E395 HydrophobicContact CB-CB 4.22Å; K90-E395 HydrophobicContact CB-CG 3.96Å; K90-E395 HydrophobicContact CD-CB 4.48Å; K90-E395 PolarHBondContact N-OE1 3.29Å; K90-E395 VanDerWaalsContact N-OE1 3.09Å
91P97.4Very high94.6Very high5 Ų544.4 Ų44.43%0.03222%0.222CC..  trans-65.4146.1-178.6-17.230.6000111.9V78 F86 R89 I99 Y100 T101V78-P91 HydrophobicContact CG2-CG 3.94Å; F86-P91 HydrophobicContact CD1-CG 3.45Å; F86-P91 VanDerWaalsContact CD1-CG 3.45Å; F86-P91 HydrophobicContact CE1-CG 3.8Å; F86-P91 HydrophobicContact CG-CG 4.37Å; R89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-I99 HydrophobicContact CB-CG2 3.75Å; P91-Y100 WeakPolarHBondContact CA-O 3.43Å; P91-T101 HydrophobicContact CB-CG2 3.82Å; P91-T101 HydrophobicContact CG-CG2 3.95Å
92V98.1Very high94.7Very high0 Ų043.9 Ų43.90%022%0.221CC..EExtended strand (participates in β ladder)trans-110.5140172.1-63.50000110.2I99 Y100 V163 A164 H167 Y392 F396V92-I99 CarbonylContact O-C 3.56Å; V92-I99 WeakPolarHBondContact O-CA 3.34Å; V92-Y100 HydrophobicContact CG2-CD2 4.32Å; V92-Y100 PolarHBondContact N-O 2.92Å; V92-Y100 PolarHBondContact O-N 2.82Å; V92-V163 HydrophobicContact CB-CG1 4.36Å; V92-V163 HydrophobicContact CG2-CG1 4.17Å; V92-A164 HydrophobicContact CG1-CB 4.39Å; V92-A164 HydrophobicContact CG2-CB 4.01Å; V92-H167 HydrophobicContact CB-CB 3.98Å; V92-H167 HydrophobicContact CG1-CB 3.88Å; V92-Y392 HydrophobicContact CG1-CD1 3.82Å; V92-Y392 HydrophobicContact CG1-CG 4.17Å; V92-F396 HydrophobicContact CB-CE2 4.31Å; V92-F396 HydrophobicContact CB-CZ 4.45Å; V92-F396 HydrophobicContact CG1-CD2 4.28Å; V92-F396 HydrophobicContact CG1-CE2 3.66Å; V92-F396 HydrophobicContact CG1-CZ 4.28Å; V92-F396 HydrophobicContact CG2-CE1 4.25Å; V92-F396 HydrophobicContact CG2-CE2 3.77Å; V92-F396 HydrophobicContact CG2-CZ 3.47Å; V92-F396 VanDerWaalsContact CG2-CZ 3.47Å
93Y97.8Very high94.8Very high2 Ų244.3 Ų44.31%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-130.2140.5-170.4179.2-136.7000112.9V58 N70 R71 V74 G95 K96 N98 I99 H167V58-Y93 HydrophobicContact CG1-CD2 4.07Å; V58-Y93 HydrophobicContact CG1-CE2 3.35Å; N70-Y93 HydrophobicContact CB-CE1 4.12Å; N70-Y93 WeakPolarHBondContact O-CE1 3.49Å; R71-Y93 HydrophobicContact CB-CD1 4.48Å; R71-Y93 HydrophobicContact CG-CD1 3.96Å; R71-Y93 HydrophobicContact CG-CE1 4.23Å; R71-Y93 PolarHBondContact NH1-O 3.14Å; R71-Y93 PolarHBondContact NH2-O 3.09Å; R71-Y93 VanDerWaalsContact NH2-O 3.17Å; V74-Y93 HydrophobicContact CB-CD1 3.78Å; V74-Y93 HydrophobicContact CB-CE1 4.03Å; V74-Y93 HydrophobicContact CB-CG 4.38Å; V74-Y93 HydrophobicContact CG1-CD1 4.09Å; V74-Y93 HydrophobicContact CG1-CG 4.22Å; V74-Y93 HydrophobicContact CG2-CD1 3.67Å; V74-Y93 HydrophobicContact CG2-CE1 3.46Å; V74-Y93 VanDerWaalsContact CG2-CE1 3.46Å; V74-Y93 HydrophobicContact CG2-CE2 4.48Å; V74-Y93 HydrophobicContact CG2-CG 4.23Å; Y93-G95 VanDerWaalsContact C-N 3.35Å; Y93-G95 VanDerWaalsContact CZ-CA 3.45Å; Y93-G95 VanDerWaalsContact OH-C 3.28Å; Y93-K96 VanDerWaalsContact CZ-N 3.27Å; Y93-K96 WeakPolarHBondContact OH-CA 3.41Å; Y93-K96 PolarHBondContact OH-N 2.85Å; Y93-K96 VanDerWaalsContact OH-N 3.14Å; Y93-K96 PolarHBondContact OH-O 2.99Å; Y93-N98 VanDerWaalsContact CD2-O 3.28Å; Y93-N98 WeakPolarHBondContact CD2-O 3.37Å; Y93-I99 HydrophobicContact CD2-CD1 4.41Å; Y93-I99 HydrophobicContact CD2-CG1 3.57Å; Y93-I99 HydrophobicContact CE2-CG1 4.26Å; Y93-I99 HydrophobicContact CG-CG1 4.16Å; Y93-H167 PolarHBondContact N-ND1 3.29Å; Y93-H167 PolarHBondContact O-ND1 3.09Å
94D94.3Very high95Very high21 Ų2140.8 Ų40.811%0.11221%0.208CC..  trans-82.6-8.2178.779.8-21.8000114.3R71 K96 K97 N98 V163R71-D94 PolarHBondContact NH2-O 2.95Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 WeakPolarHBondContact OD1-CA 3.11Å; D94-K96 PolarHBondContact OD1-N 3.28Å; D94-K97 PolarHBondContact OD1-N 2.89Å; D94-N98 HydrophobicContact CB-CB 4.33Å; D94-N98 PolarHBondContact N-O 3.14Å; D94-N98 VanDerWaalsContact N-O 3.14Å; D94-N98 PolarHBondContact OD1-N 2.8Å; D94-N98 PolarHBondContact OD2-ND2 3Å; D94-V163 HydrophobicContact CB-CG1 4.2Å; D94-V163 HydrophobicContact CB-CG2 3.76Å
95G93.9Very high95.3Very high0 Ų035.2 Ų35.20%018%0.182CC..SBendtrans83.68.1-177.100000113.9N70 Y93N70-G95 PolarHBondContact ND2-O 3.06Å; Y93-G95 VanDerWaalsContact C-N 3.35Å; Y93-G95 VanDerWaalsContact CZ-CA 3.45Å; Y93-G95 VanDerWaalsContact OH-C 3.28Å
96K93.8Very high95.4Very high110 Ų11039.2 Ų39.248%0.47821%0.208SC..SBendtrans-129.9-77.2178.5-76.5-172.5159.6-171.10113R67 Y93 D94R67-K96 HydrophobicContact CG-CG 4.34Å; R67-K96 VanDerWaalsContact NH2-CE 3.29Å; Y93-K96 VanDerWaalsContact CZ-N 3.27Å; Y93-K96 WeakPolarHBondContact OH-CA 3.41Å; Y93-K96 PolarHBondContact OH-N 2.85Å; Y93-K96 VanDerWaalsContact OH-N 3.14Å; Y93-K96 PolarHBondContact OH-O 2.99Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 WeakPolarHBondContact OD1-CA 3.11Å; D94-K96 PolarHBondContact OD1-N 3.28Å
97K95.7Very high95.2Very high93 Ų9340.7 Ų40.740%0.40422%0.216SC..SBendtrans-140.9-8.3-166.4-77.5-158.9160.5-149.20114E57 V58 D94E57-K97 CarbonylContact C-O 3.57Å; E57-K97 VanDerWaalsContact CA-O 3.26Å; E57-K97 WeakPolarHBondContact CA-O 3.42Å; E57-K97 IonicContact OE1-NZ 2.94Å; E57-K97 PolarHBondContact OE1-NZ 3.08Å; V58-K97 PolarHBondContact N-O 2.88Å; V58-K97 WeakPolarHBondContact O-CA 3.26Å; D94-K97 PolarHBondContact OD1-N 2.89Å
98N97.1Very high94.7Very high31 Ų3142 Ų4217%0.16623%0.23CC..EExtended strand (participates in β ladder)trans-118.2113.9-169.4-56.5-68.3000110.7H55 Y93 D94 Y100H55-N98 PolarHBondContact CE1-OD1 2.91Å; H55-N98 PolarHBondContact NE2-OD1 2.67Å; Y93-N98 VanDerWaalsContact CD2-O 3.28Å; Y93-N98 WeakPolarHBondContact CD2-O 3.37Å; D94-N98 HydrophobicContact CB-CB 4.33Å; D94-N98 PolarHBondContact N-O 3.14Å; D94-N98 VanDerWaalsContact N-O 3.14Å; D94-N98 PolarHBondContact OD1-N 2.8Å; D94-N98 PolarHBondContact OD2-ND2 3Å; N98-Y100 HydrophobicContact CB-CE2 3.83Å
99I97.7Very high94.2Very high1 Ų140.3 Ų40.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.8140.3170.4-67.8178.2000108.9Y56 V58 V74 M77 P91 V92 Y93Y56-I99 PolarHBondContact N-O 3.06Å; Y56-I99 PolarHBondContact O-N 3.42Å; V58-I99 HydrophobicContact CB-CD1 3.84Å; V58-I99 HydrophobicContact CB-CG1 4.24Å; V58-I99 HydrophobicContact CG1-CD1 3.88Å; V58-I99 HydrophobicContact CG1-CG1 3.85Å; V58-I99 HydrophobicContact CG2-CD1 4.14Å; V74-I99 HydrophobicContact CG1-CD1 3.93Å; V74-I99 HydrophobicContact CG2-CD1 4.34Å; M77-I99 HydrophobicContact CE-CD1 4.36Å; P91-I99 HydrophobicContact CB-CG2 3.75Å; V92-I99 CarbonylContact O-C 3.56Å; V92-I99 WeakPolarHBondContact O-CA 3.34Å; Y93-I99 HydrophobicContact CD2-CD1 4.41Å; Y93-I99 HydrophobicContact CD2-CG1 3.57Å; Y93-I99 HydrophobicContact CE2-CG1 4.26Å; Y93-I99 HydrophobicContact CG-CG1 4.16Å
100Y98.2Very high93.7Very high2 Ų244.7 Ų44.71%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-125.7144.5174.3-55.1-90.2000111.5V53 Y54 H55 P91 V92 N98 V137 A160 V163V53-Y100 HydrophobicContact CG1-CD1 4.07Å; V53-Y100 HydrophobicContact CG1-CG 4.39Å; Y54-Y100 VanDerWaalsContact O-CA 3.24Å; Y54-Y100 WeakPolarHBondContact O-CA 3.41Å; H55-Y100 HydrophobicContact CB-CD1 3.81Å; H55-Y100 HydrophobicContact CB-CE1 3.65Å; H55-Y100 AromaticContact CD2-CE1 3.45Å; H55-Y100 VanDerWaalsContact CD2-CE1 3.45Å; H55-Y100 WeakPolarHBondContact CD2-CE1 3.25Å; H55-Y100 AromaticContact CD2-CZ 3.71Å; H55-Y100 AromaticContact CG-CE1 3.44Å; H55-Y100 VanDerWaalsContact CG-CE1 3.44Å; H55-Y100 AromaticContact NE2-CZ 3.96Å; P91-Y100 WeakPolarHBondContact CA-O 3.43Å; V92-Y100 HydrophobicContact CG2-CD2 4.32Å; V92-Y100 PolarHBondContact N-O 2.92Å; V92-Y100 PolarHBondContact O-N 2.82Å; N98-Y100 HydrophobicContact CB-CE2 3.83Å; Y100-V137 HydrophobicContact CE1-CG2 4.44Å; Y100-A160 HydrophobicContact CD1-CB 3.79Å; Y100-A160 HydrophobicContact CE1-CB 3.63Å; Y100-A160 HydrophobicContact CE2-CB 4.5Å; Y100-A160 HydrophobicContact CG-CB 4.29Å; Y100-V163 HydrophobicContact CD2-CB 4.2Å; Y100-V163 HydrophobicContact CD2-CG1 3.97Å; Y100-V163 HydrophobicContact CE2-CB 4.06Å; Y100-V163 HydrophobicContact CE2-CG1 4.11Å; Y100-V163 HydrophobicContact CE2-CG2 4.1Å
101T97.8Very high93.4Very high1 Ų146 Ų461%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-136.9155.1172.864.10000111.1Y54 Y56 P91 L103 L105Y54-T101 PolarHBondContact N-O 2.81Å; Y54-T101 PolarHBondContact O-N 2.9Å; Y56-T101 HydrophobicContact CE2-CG2 4.31Å; Y56-T101 WeakPolarHBondContact CE2-OG1 3.4Å; P91-T101 HydrophobicContact CB-CG2 3.82Å; P91-T101 HydrophobicContact CG-CG2 3.95Å; T101-L103 WeakPolarHBondContact CB-O 3.33Å; T101-L103 PolarHBondContact OG1-O 2.9Å; T101-L105 HydrophobicContact CG2-CD1 4.49Å; T101-L105 HydrophobicContact CG2-CD2 4.18Å; T101-L105 HydrophobicContact CG2-CG 4.25Å
102V96.1Very high93.2Very high21 Ų2148.1 Ų48.113%0.12727%0.269CS..SBendtrans-77.9-32.1177.4-65.60000113.4M51 Y54 E395 F396M51-V102 HydrophobicContact CE-CB 4.41Å; M51-V102 HydrophobicContact CE-CG1 3.75Å; Y54-V102 WeakPolarHBondContact CE2-O 3.19Å; V102-E395 HydrophobicContact CG1-CG 4.23Å; V102-E395 WeakPolarHBondContact CG1-O 3.45Å; V102-E395 HydrophobicContact CG2-CG 3.96Å; V102-E395 WeakPolarHBondContact CG2-OE1 3.49Å; V102-F396 HydrophobicContact CG1-CB 4.23Å; V102-F396 HydrophobicContact CG1-CD1 3.67Å; V102-F396 HydrophobicContact CG1-CD2 3.91Å; V102-F396 HydrophobicContact CG1-CE1 3.95Å; V102-F396 HydrophobicContact CG1-CE2 4.14Å; V102-F396 HydrophobicContact CG1-CG 3.68Å; V102-F396 HydrophobicContact CG1-CZ 4.17Å
103L94.4Very high93Very high103 Ų10353.7 Ų53.754%0.53930%0.299SS..SBendtrans-115.9148.8174.6-65.5176.8000109.7R89 T101 L105R89-L103 HydrophobicContact CG-CB 4.45Å; T101-L103 WeakPolarHBondContact CB-O 3.33Å; T101-L103 PolarHBondContact OG1-O 2.9Å; L103-L105 PolarHBondContact O-N 3.01Å
104A94.8Very high92.8Very high41 Ų4155 Ų5534%0.33931%0.305SS..  trans-53.9136.317400000110.2Y54 Y56 R89Y54-A104 HydrophobicContact CD1-CB 3.87Å; Y54-A104 HydrophobicContact CE1-CB 3.59Å; Y54-A104 HydrophobicContact CE2-CB 4.43Å; Y54-A104 HydrophobicContact CG-CB 4.41Å; Y56-A104 WeakPolarHBondContact OH-CA 3.4Å; R89-A104 PolarHBondContact NE-O 2.8Å; R89-A104 PolarHBondContact NH2-O 3.14Å
105L94.5Very high92.8Very high6 Ų659.2 Ų59.23%0.03132%0.324CS..  trans-72.2148.8165.8-67.5178.4000108Y56 L85 F86 T101 L103 I107Y56-L105 HydrophobicContact CD1-CD1 4.22Å; Y56-L105 HydrophobicContact CD2-CD1 4.18Å; Y56-L105 HydrophobicContact CE1-CB 4.07Å; Y56-L105 HydrophobicContact CE1-CD1 4Å; Y56-L105 HydrophobicContact CE1-CG 4.23Å; Y56-L105 HydrophobicContact CE2-CD1 3.97Å; Y56-L105 HydrophobicContact CE2-CG 4.05Å; Y56-L105 HydrophobicContact CG-CD1 4.31Å; Y56-L105 PolarHBondContact OH-N 3.31Å; L85-L105 HydrophobicContact CD1-CB 4.08Å; L85-L105 HydrophobicContact CD1-CD1 4.3Å; L85-L105 HydrophobicContact CD1-CD2 4.46Å; L85-L105 HydrophobicContact CG-CD1 4.5Å; L85-L105 HydrophobicContact CG-CD2 4.43Å; F86-L105 HydrophobicContact CD1-CD2 3.86Å; F86-L105 HydrophobicContact CE1-CD1 4.23Å; F86-L105 HydrophobicContact CE1-CD2 4.32Å; T101-L105 HydrophobicContact CG2-CD1 4.49Å; T101-L105 HydrophobicContact CG2-CD2 4.18Å; T101-L105 HydrophobicContact CG2-CG 4.25Å; L103-L105 PolarHBondContact O-N 3.01Å; L105-I107 HydrophobicContact CB-CD1 4.18Å; L105-I107 HydrophobicContact CB-CG1 3.9Å; L105-I107 HydrophobicContact CD1-CD1 4.26Å; L105-I107 PolarHBondContact O-N 3.21Å
106P92.3Very high92.7Very high88 Ų8859.2 Ų59.257%0.57132%0.324SS*.SBendtrans-73.850.3177.734.2-37.8000111.7L85L85-P106 HydrophobicContact CD1-CG 4.42Å; L85-P106 WeakPolarHBondContact O-CD 3.16Å
107I87.3Confident92.6Very high31 Ų3156.2 Ų56.216%0.15932%0.315CS..  trans-125.3140.8175.461.9-178.9000108.2Y56 L85 L105 V112 I131Y56-I107 HydrophobicContact CD1-CD1 3.78Å; Y56-I107 HydrophobicContact CE1-CD1 3.75Å; Y56-I107 HydrophobicContact CE1-CG1 4.03Å; L85-I107 HydrophobicContact CD1-CG2 3.42Å; L85-I107 VanDerWaalsContact CD1-CG2 3.42Å; L105-I107 HydrophobicContact CB-CD1 4.18Å; L105-I107 HydrophobicContact CB-CG1 3.9Å; L105-I107 HydrophobicContact CD1-CD1 4.26Å; L105-I107 PolarHBondContact O-N 3.21Å; I107-V112 HydrophobicContact CB-CG2 4.23Å; I107-V112 HydrophobicContact CG2-CG2 3.92Å; I107-I131 HydrophobicContact CD1-CB 4.47Å; I107-I131 HydrophobicContact CD1-CG2 3.7Å
108G83.3Confident92.1Very high55 Ų5552.4 Ų52.457%0.56730%0.299SS*.  trans-72.5-155.9173.900000112.3
109S81.5Confident91.2Very high91 Ų9154.9 Ų54.964%0.63632%0.317SS*.SBendtrans-75.9-14.2170.450.90000113.3
110E84.8Confident89.8Confident156 Ų15656.1 Ų56.173%0.72933%0.329SS*.SBendtrans-73.1152.4-179.4-65.3-166.9169.300112.2
111K90.6Very high87.9Confident109 Ų10962.2 Ų62.247%0.47436%0.358SS..  trans-77.4128.3177.3-178.4-175176.9-1740109D113 S130 R132K111-D113 VanDerWaalsContact CE-OD1 3.3Å; K111-D113 WeakPolarHBondContact CE-OD1 3.27Å; K111-D113 IonicContact NZ-OD1 2.58Å; K111-S130 WeakPolarHBondContact CE-OG 3.46Å; K111-S130 PolarHBondContact NZ-OG 2.84Å; K111-R132 HydrophobicContact CB-CB 4.43Å
112V93Very high86.2Confident49 Ų4964.9 Ų64.930%0.29739%0.385SS..EExtended strand (participates in β ladder)trans-111.4128.5176.5-171.50000109.5I107 F114 S130 I131I107-V112 HydrophobicContact CB-CG2 4.23Å; I107-V112 HydrophobicContact CG2-CG2 3.92Å; V112-F114 HydrophobicContact CB-CE2 3.86Å; V112-F114 HydrophobicContact CB-CZ 4.19Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 HydrophobicContact CG1-CE1 4.3Å; V112-F114 HydrophobicContact CG1-CE2 3.55Å; V112-F114 HydrophobicContact CG1-CZ 3.48Å; V112-F114 VanDerWaalsContact CG1-CZ 3.48Å; V112-S130 CarbonylContact O-C 3.57Å; V112-S130 VanDerWaalsContact O-CA 3.27Å; V112-S130 WeakPolarHBondContact O-CA 3.27Å; V112-I131 PolarHBondContact N-O 3.24Å; V112-I131 PolarHBondContact O-N 2.86Å
113D94.2Very high85.2Confident116 Ų11672.6 Ų72.662%0.6242%0.417SS*.EExtended strand (participates in β ladder)trans-100.3139.1-179.8-69.1-18.8000110.8K111 V129 S130K111-D113 VanDerWaalsContact CE-OD1 3.3Å; K111-D113 WeakPolarHBondContact CE-OD1 3.27Å; K111-D113 IonicContact NZ-OD1 2.58Å; D113-V129 CarbonylContact C-O 3.51Å; D113-V129 WeakPolarHBondContact CA-O 3.24Å; D113-S130 WeakPolarHBondContact OD1-CB 3.24Å
114F93.7Very high84.7Confident29 Ų2972.7 Ų72.713%0.12742%0.418CS..EExtended strand (participates in β ladder)trans-129.4144.3179.9-61.8-87.4000109.5F81 L85 V112 V116 V129 I131F81-F114 AromaticContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CE1 4.09Å; F81-F114 HydrophobicContact CD2-CD1 4.22Å; F81-F114 AromaticContact CE1-CD1 3.79Å; F81-F114 HydrophobicContact CE1-CD1 3.79Å; F81-F114 HydrophobicContact CE1-CE1 4.45Å; F81-F114 HydrophobicContact CE2-CB 4.28Å; F81-F114 HydrophobicContact CE2-CD1 4.23Å; F81-F114 HydrophobicContact CG-CD1 4Å; F81-F114 HydrophobicContact CG-CE1 4.35Å; F81-F114 HydrophobicContact CZ-CB 4.32Å; F81-F114 HydrophobicContact CZ-CD1 4.01Å; L85-F114 HydrophobicContact CD2-CE1 4.26Å; L85-F114 HydrophobicContact CD2-CE2 3.93Å; L85-F114 HydrophobicContact CD2-CZ 3.59Å; L85-F114 HydrophobicContact CG-CZ 4.49Å; V112-F114 HydrophobicContact CB-CE2 3.86Å; V112-F114 HydrophobicContact CB-CZ 4.19Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 HydrophobicContact CG1-CE1 4.3Å; V112-F114 HydrophobicContact CG1-CE2 3.55Å; V112-F114 HydrophobicContact CG1-CZ 3.48Å; V112-F114 VanDerWaalsContact CG1-CZ 3.48Å; F114-V116 HydrophobicContact CB-CG2 4.43Å; F114-V129 PolarHBondContact N-O 3.29Å; F114-V129 PolarHBondContact O-N 2.89Å; F114-I131 HydrophobicContact CD2-CD1 4.37Å; F114-I131 HydrophobicContact CD2-CG1 4.47Å; F114-I131 HydrophobicContact CE2-CD1 4.1Å; F114-I131 HydrophobicContact CE2-CG1 4.36Å
115E94.8Very high84.4Confident110 Ų11075.2 Ų75.251%0.51442%0.419SS..EExtended strand (participates in β ladder)trans-100.5121.2167.2-169.4166.2105.700109.1F81 I126F81-E115 WeakPolarHBondContact CZ-O 3.47Å; E115-I126 HydrophobicContact CG-CG2 3.44Å; E115-I126 VanDerWaalsContact CG-CG2 3.44Å
116V92.1Very high84.2Confident1 Ų179.6 Ų79.61%0.00644%0.442CS..EExtended strand (participates in β ladder)trans-117.5114.2-176-175.20000108.8V73 Y76 M77 F81 F114 F127 V129V73-V116 HydrophobicContact CG1-CB 4.28Å; V73-V116 HydrophobicContact CG1-CG1 4.12Å; Y76-V116 HydrophobicContact CD1-CG1 3.84Å; Y76-V116 HydrophobicContact CG-CG1 4.47Å; M77-V116 HydrophobicContact CB-CG1 4.25Å; M77-V116 HydrophobicContact CB-CG2 3.84Å; M77-V116 HydrophobicContact CG-CG2 3.84Å; M77-V116 HydrophobicContact SD-CG2 4.22Å; F81-V116 HydrophobicContact CE2-CG2 4.2Å; F114-V116 HydrophobicContact CB-CG2 4.43Å; V116-F127 HydrophobicContact CB-CB 4.47Å; V116-F127 PolarHBondContact N-O 3.07Å; V116-F127 PolarHBondContact O-N 3.06Å; V116-V129 HydrophobicContact CB-CG2 4.13Å; V116-V129 HydrophobicContact CG2-CB 4.09Å; V116-V129 HydrophobicContact CG2-CG2 3.6Å
117T90.8Very high84.3Confident46 Ų4675.7 Ų75.728%0.28242%0.416SS..EExtended strand (participates in β ladder)trans-101.9114.3-179-58.50000110.1Y76 D124 I126Y76-T117 WeakPolarHBondContact CE1-O 3.44Å; Y76-T117 VanDerWaalsContact CZ-O 3.26Å; T117-D124 HydrophobicContact CG2-CB 3.76Å; T117-I126 HydrophobicContact CG2-CG1 4.38Å
118I85.8Confident84.7Confident13 Ų1381 Ų817%0.06744%0.438CS..EExtended strand (participates in β ladder)trans-98.7127.8176-55.5-178.9000109.3V73 G120 R125 F127V73-I118 HydrophobicContact CB-CD1 4.06Å; V73-I118 HydrophobicContact CG2-CD1 3.46Å; V73-I118 VanDerWaalsContact CG2-CD1 3.46Å; I118-G120 PolarHBondContact O-N 3.45Å; I118-R125 PolarHBondContact N-O 3.44Å; I118-R125 PolarHBondContact O-N 3.33Å; I118-F127 HydrophobicContact CB-CE2 4.46Å; I118-F127 HydrophobicContact CD1-CD2 4.02Å; I118-F127 HydrophobicContact CD1-CE2 3.71Å; I118-F127 HydrophobicContact CG1-CD2 4.17Å; I118-F127 HydrophobicContact CG1-CE2 4.12Å
119P78.6Confident85.4Confident84 Ų8478.4 Ų78.455%0.54541%0.411SS..  trans-55.1126.2172.4-22.632.1000110.9Y76Y76-P119 HydrophobicContact CE2-CG 4.49Å
120G66.9Low86Confident26 Ų2674.5 Ų74.527%0.26838%0.383SS..  trans-110159.5176.500000112.5I118 G122 K123I118-G120 PolarHBondContact O-N 3.45Å; G120-G122 PolarHBondContact O-N 3.09Å; G120-K123 WeakPolarHBondContact CA-O 3.35Å
121E57.7Low86.6Confident131 Ų13167.1 Ų67.161%0.61235%0.349SS*.SBendtrans-70.581.1168-70.4-179.3-159.100109.4K275E121-K275 PolarHBondContact OE2-N 3.05Å
122G63.6Low86.8Confident56 Ų5667 Ų6758%0.57735%0.345SS*.SBendtrans113.9-39.4173.800000115.8G120 M274G120-G122 PolarHBondContact O-N 3.09Å; G122-M274 VanDerWaalsContact CA-CE 3.42Å
123K74.7Confident87Confident183 Ų18369.4 Ų69.480%0.79635%0.349SS*.SBendtrans-135.8134.7171.7-74.9-167.8177.2-171.60110.4G120G120-K123 WeakPolarHBondContact CA-O 3.35Å
124D84Confident87Confident106 Ų10667.6 Ų67.657%0.56734%0.339SS*.  trans-61.2144.2172.7-65.7-21.7000111T117T117-D124 HydrophobicContact CG2-CB 3.76Å
125R87.4Confident87Confident93 Ų9367.7 Ų67.735%0.35135%0.345SS..EExtended strand (participates in β ladder)trans-106.2112.4178.5-64.7179.7-68.3164.8-0.2108.3I118 F127I118-R125 PolarHBondContact N-O 3.44Å; I118-R125 PolarHBondContact O-N 3.33Å; R125-F127 HydrophobicContact CB-CD2 4.36Å; R125-F127 HydrophobicContact CB-CE2 3.55Å; R125-F127 HydrophobicContact CB-CZ 4.15Å; R125-F127 WeakPolarHBondContact O-CD2 3.27Å
126I91.6Very high87.1Confident99 Ų9968.1 Ų68.151%0.50835%0.345SS..EExtended strand (participates in β ladder)trans-92.7128.7178.7-55.5173.7000108.8E115 T117E115-I126 HydrophobicContact CG-CG2 3.44Å; E115-I126 VanDerWaalsContact CG-CG2 3.44Å; T117-I126 HydrophobicContact CG2-CG1 4.38Å
127F94.6Very high87.3Confident6 Ų668.1 Ų68.13%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-119.8136.1176.8-65.7-91.9000109.9I60 K61 P62 V69 V73 V116 I118 R125 V129I60-F127 HydrophobicContact CG2-CB 4.44Å; I60-F127 HydrophobicContact CG2-CD1 3.88Å; K61-F127 WeakPolarHBondContact O-CA 3.27Å; P62-F127 HydrophobicContact CG-CE1 4.25Å; V69-F127 HydrophobicContact CG1-CE1 4.45Å; V69-F127 HydrophobicContact CG1-CZ 4.02Å; V73-F127 HydrophobicContact CG1-CB 4.14Å; V73-F127 HydrophobicContact CG1-CG 4.3Å; V73-F127 HydrophobicContact CG2-CD1 3.95Å; V73-F127 HydrophobicContact CG2-CD2 3.83Å; V73-F127 HydrophobicContact CG2-CE1 4.05Å; V73-F127 HydrophobicContact CG2-CE2 3.92Å; V73-F127 HydrophobicContact CG2-CG 3.84Å; V73-F127 HydrophobicContact CG2-CZ 4.03Å; V116-F127 HydrophobicContact CB-CB 4.47Å; V116-F127 PolarHBondContact N-O 3.07Å; V116-F127 PolarHBondContact O-N 3.06Å; I118-F127 HydrophobicContact CB-CE2 4.46Å; I118-F127 HydrophobicContact CD1-CD2 4.02Å; I118-F127 HydrophobicContact CD1-CE2 3.71Å; I118-F127 HydrophobicContact CG1-CD2 4.17Å; I118-F127 HydrophobicContact CG1-CE2 4.12Å; R125-F127 HydrophobicContact CB-CD2 4.36Å; R125-F127 HydrophobicContact CB-CE2 3.55Å; R125-F127 HydrophobicContact CB-CZ 4.15Å; R125-F127 WeakPolarHBondContact O-CD2 3.27Å; F127-V129 HydrophobicContact CB-CG2 4.22Å
128K95.9Very high87.5Confident143 Ų14367.4 Ų67.462%0.62234%0.342SS*.EExtended strand (participates in β ladder)trans-92.3113.7167.3-65-174.1177.4-170.60107.7K61K61-K128 HydrophobicContact CB-CB 4.34Å; K61-K128 PolarHBondContact N-O 3.22Å; K61-K128 PolarHBondContact O-N 2.88Å
129V96.7Very high87.9Confident0 Ų066.8 Ų66.80%034%0.339CS..EExtended strand (participates in β ladder)trans-112.7137.7-178.5-174.70000108.3V58 D59 I60 V73 M77 D113 F114 V116 F127V58-V129 HydrophobicContact CG2-CG1 3.55Å; D59-V129 CarbonylContact O-C 3.47Å; D59-V129 WeakPolarHBondContact O-CA 3.31Å; I60-V129 HydrophobicContact CG1-CG1 4.18Å; I60-V129 HydrophobicContact CG1-CG2 4.28Å; I60-V129 HydrophobicContact CG2-CG2 4.39Å; V73-V129 HydrophobicContact CG1-CG2 3.54Å; M77-V129 HydrophobicContact CE-CG1 4.17Å; M77-V129 HydrophobicContact SD-CB 4.01Å; M77-V129 HydrophobicContact SD-CG1 3.53Å; M77-V129 VanDerWaalsContact SD-CG1 3.53Å; D113-V129 CarbonylContact C-O 3.51Å; D113-V129 WeakPolarHBondContact CA-O 3.24Å; F114-V129 PolarHBondContact N-O 3.29Å; F114-V129 PolarHBondContact O-N 2.89Å; V116-V129 HydrophobicContact CB-CG2 4.13Å; V116-V129 HydrophobicContact CG2-CB 4.09Å; V116-V129 HydrophobicContact CG2-CG2 3.6Å; F127-V129 HydrophobicContact CB-CG2 4.22Å
130S95.6Very high88.6Confident8 Ų869.2 Ų69.26%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-132.1138177.763.80000111.7V58 D59 K111 V112 D113V58-S130 CarbonylContact C-O 3.52Å; V58-S130 VanDerWaalsContact CA-O 3.26Å; V58-S130 WeakPolarHBondContact CA-O 3.44Å; D59-S130 WeakPolarHBondContact CB-OG 3.07Å; D59-S130 PolarHBondContact N-O 3.43Å; D59-S130 PolarHBondContact O-N 3.18Å; D59-S130 PolarHBondContact O-OG 3.26Å; K111-S130 WeakPolarHBondContact CE-OG 3.46Å; K111-S130 PolarHBondContact NZ-OG 2.84Å; V112-S130 CarbonylContact O-C 3.57Å; V112-S130 VanDerWaalsContact O-CA 3.27Å; V112-S130 WeakPolarHBondContact O-CA 3.27Å; D113-S130 WeakPolarHBondContact OD1-CB 3.24Å
131I96.4Very high89.8Confident1 Ų171.1 Ų71.11%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-121.6133.9-175.8-56.9177.4000108.5Y56 E57 V58 M77 L85 F86 I107 V112 F114Y56-I131 HydrophobicContact CD1-CG2 4.11Å; Y56-I131 HydrophobicContact CG-CG2 4.26Å; E57-I131 WeakPolarHBondContact O-CA 2.85Å; V58-I131 HydrophobicContact CG2-CG1 4.42Å; M77-I131 HydrophobicContact CE-CD1 3.74Å; M77-I131 HydrophobicContact SD-CD1 3.94Å; L85-I131 HydrophobicContact CD2-CD1 3.75Å; F86-I131 HydrophobicContact CZ-CD1 4.1Å; I107-I131 HydrophobicContact CD1-CB 4.47Å; I107-I131 HydrophobicContact CD1-CG2 3.7Å; V112-I131 PolarHBondContact N-O 3.24Å; V112-I131 PolarHBondContact O-N 2.86Å; F114-I131 HydrophobicContact CD2-CD1 4.37Å; F114-I131 HydrophobicContact CD2-CG1 4.47Å; F114-I131 HydrophobicContact CE2-CD1 4.1Å; F114-I131 HydrophobicContact CE2-CG1 4.36Å
132R95.8Very high91.5Very high106 Ų10664.9 Ų64.940%0.431%0.312SS..EExtended strand (participates in β ladder)trans-137.6134.1175.7-179.1178.262.5166-0.6110Y56 E57 K111 L134Y56-R132 CarbonylContact C-O 3.56Å; Y56-R132 VanDerWaalsContact CA-O 3.25Å; Y56-R132 WeakPolarHBondContact CA-O 3.24Å; E57-R132 PolarHBondContact N-O 2.86Å; E57-R132 PolarHBondContact O-N 2.85Å; E57-R132 IonicContact OE2-CZ 3.64Å; E57-R132 IonicContact OE2-NE 2.7Å; E57-R132 IonicContact OE2-NH2 3.9Å; E57-R132 PolarHBondContact OE2-NH2 3.09Å; K111-R132 HydrophobicContact CB-CB 4.43Å; R132-L134 PolarHBondContact O-N 2.92Å
133W95.8Very high92.7Very high100 Ų10064.2 Ų64.238%0.37929%0.294SS..EExtended strand (participates in β ladder)trans-63.5133.4170.817881.4000110.8Y56 A135 K136Y56-W133 HydrophobicContact CD1-CB 4.01Å; Y56-W133 HydrophobicContact CE1-CB 3.96Å; Y56-W133 AromaticContact CE1-CD1 3.8Å; Y56-W133 HydrophobicContact CE1-CG 4.31Å; W133-A135 PolarHBondContact NE1-O 2.65Å; W133-K136 HydrophobicContact CZ2-CG 4.4Å
134L94.3Very high93.4Very high79 Ų7960.2 Ų60.241%0.41428%0.278SS..EExtended strand (participates in β ladder)trans-113.8-51.7-177.7-166.871.7000112.3H55 R132H55-L134 VanDerWaalsContact CE1-CD2 3.41Å; H55-L134 WeakPolarHBondContact CE1-CD2 3.45Å; H55-L134 PolarHBondContact O-N 3.26Å; R132-L134 PolarHBondContact O-N 2.92Å
135A95.1Very high93.6Very high31 Ų3155.2 Ų55.226%0.25625%0.251SS..EExtended strand (participates in β ladder)trans-159.6164.7-173.600000112.9H55 W133H55-A135 PolarHBondContact N-O 2.87Å; H55-A135 PolarHBondContact O-N 2.7Å; W133-A135 PolarHBondContact NE1-O 2.65Å
136K95.3Very high93.7Very high118 Ų11851.1 Ų51.151%0.51324%0.236SC..EExtended strand (participates in β ladder)trans-97.9132158.5-75.7-177.6176.2-176.90108.9Y54 W133Y54-K136 HydrophobicContact CD1-CG 4.34Å; Y54-K136 HydrophobicContact CE1-CD 4.45Å; Y54-K136 HydrophobicContact CE1-CG 4.24Å; W133-K136 HydrophobicContact CZ2-CG 4.4Å
137V96.2Very high93.4Very high1 Ų150.6 Ų50.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-110.8116.9-179.7177.80000108.3D52 V53 H55 Y100 S157 A160D52-V137 WeakPolarHBondContact CA-O 3.18Å; V53-V137 HydrophobicContact CB-CB 4.43Å; V53-V137 PolarHBondContact N-O 2.81Å; V53-V137 PolarHBondContact O-N 3.39Å; H55-V137 HydrophobicContact CB-CG2 4.01Å; Y100-V137 HydrophobicContact CE1-CG2 4.44Å; V137-S157 VanDerWaalsContact CG1-CA 3.4Å; V137-S157 VanDerWaalsContact CG1-OG 3.32Å; V137-S157 WeakPolarHBondContact CG1-OG 3.24Å; V137-A160 HydrophobicContact CG1-CB 4.13Å
138S95.8Very high92.8Very high31 Ų3153 Ų5322%0.21726%0.255CS..EExtended strand (participates in β ladder)trans-94.9109.2-171.5-163.80000112.9D52 R140 L141 L142 S157D52-S138 WeakPolarHBondContact OD1-CA 3.33Å; D52-S138 VanDerWaalsContact OD1-CB 3.24Å; D52-S138 WeakPolarHBondContact OD1-CB 3.46Å; D52-S138 PolarHBondContact OD1-OG 3.04Å; S138-R140 VanDerWaalsContact C-N 3.29Å; S138-L141 PolarHBondContact O-N 2.7Å; S138-L142 PolarHBondContact O-N 3.23Å; S138-S157 PolarHBondContact O-OG 3.19Å
139W95Very high91.9Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-75.4-19.8171.8-74.6-6.5000113.1I48 P49 M51 V53 L142 Q143 S157 L161 F396 I398I48-W139 HydrophobicContact CB-CE3 4.35Å; I48-W139 HydrophobicContact CD1-CB 4.4Å; P49-W139 HydrophobicContact CG-CE3 4.05Å; P49-W139 HydrophobicContact CG-CZ3 4.15Å; M51-W139 HydrophobicContact CE-CE3 3.91Å; M51-W139 HydrophobicContact CE-CZ3 3.64Å; M51-W139 HydrophobicContact CG-CE3 4.43Å; M51-W139 WeakPolarHBondContact O-CB 3.39Å; M51-W139 PolarHBondContact O-N 3.3Å; V53-W139 HydrophobicContact CG2-CD2 3.86Å; V53-W139 HydrophobicContact CG2-CE3 4.05Å; V53-W139 HydrophobicContact CG2-CG 4.43Å; V53-W139 HydrophobicContact CG2-CH2 4.16Å; V53-W139 HydrophobicContact CG2-CZ2 3.96Å; V53-W139 HydrophobicContact CG2-CZ3 4.21Å; W139-L142 PolarHBondContact O-N 3.31Å; W139-Q143 PolarHBondContact O-N 2.99Å; W139-Q143 VanDerWaalsContact O-N 3.08Å; W139-S157 PolarHBondContact NE1-O 3.28Å; W139-L161 HydrophobicContact CH2-CD1 3.96Å; W139-L161 HydrophobicContact CZ2-CB 3.92Å; W139-L161 HydrophobicContact CZ2-CD1 3.94Å; W139-F396 HydrophobicContact CH2-CB 4.08Å; W139-F396 AromaticContact CH2-CD1 3.5Å; W139-F396 HydrophobicContact CH2-CD1 3.5Å; W139-F396 HydrophobicContact CH2-CE1 4.4Å; W139-F396 HydrophobicContact CH2-CG 4.22Å; W139-F396 HydrophobicContact CZ2-CD1 4.27Å; W139-F396 HydrophobicContact CZ3-CB 4.26Å; W139-F396 HydrophobicContact CZ3-CD1 4.1Å; W139-I398 HydrophobicContact CH2-CD1 3.87Å; W139-I398 HydrophobicContact CH2-CG1 4.13Å; W139-I398 HydrophobicContact CZ3-CD1 4.3Å; W139-I398 HydrophobicContact CZ3-CG1 4.04Å
140R93.3Very high90.9Very high135 Ų13556.8 Ų56.851%0.50927%0.269SS..Hα-helixtrans-58.8-49.8166.6176.2179.5-77.4174.9-5.4110.5K50 S138 L142 Q143 E144K50-R140 HydrophobicContact CB-CB 4.45Å; S138-R140 VanDerWaalsContact C-N 3.29Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 3.25Å; R140-Q143 PolarHBondContact O-N 3.12Å; R140-E144 WeakPolarHBondContact CG-OE1 3.42Å; R140-E144 WeakPolarHBondContact O-CG 3.21Å; R140-E144 PolarHBondContact O-N 3.08Å
141L92.3Very high90.3Very high67 Ų6760.9 Ų60.935%0.35129%0.289SS..Hα-helixtrans-60.4-40.7177.9-179.563.2000112.1S138 E144 T145 L151 P154S138-L141 PolarHBondContact O-N 2.7Å; L141-E144 PolarHBondContact O-N 3.17Å; L141-T145 WeakPolarHBondContact O-CB 3.37Å; L141-T145 PolarHBondContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 2.97Å; L141-L151 HydrophobicContact CD1-CD1 3.68Å; L141-P154 HydrophobicContact CG-CG 4.42Å
142L92.8Very high89.7Confident0 Ų066 Ų660%031%0.313CS..Hα-helixtrans-57.5-50.5175.3178.258.4000111I48 S138 W139 R140 T145 L146 V153 P154 V158 M212I48-L142 HydrophobicContact CD1-CD2 3.83Å; I48-L142 HydrophobicContact CD1-CG 4.23Å; S138-L142 PolarHBondContact O-N 3.23Å; W139-L142 PolarHBondContact O-N 3.31Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 3.25Å; L142-T145 WeakPolarHBondContact O-CB 3.47Å; L142-T145 PolarHBondContact O-N 3.41Å; L142-L146 HydrophobicContact CD1-CD1 4.31Å; L142-L146 HydrophobicContact CD1-CG 4.32Å; L142-L146 HydrophobicContact CG-CD1 4.25Å; L142-L146 VanDerWaalsContact O-CG 3.27Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 3.28Å; L142-V153 HydrophobicContact CD1-CG1 3.93Å; L142-P154 HydrophobicContact CB-CG 3.95Å; L142-P154 HydrophobicContact CD1-CG 3.96Å; L142-V158 HydrophobicContact CD1-CG2 3.97Å; L142-V158 HydrophobicContact CD2-CG2 4.45Å; L142-M212 HydrophobicContact CD1-SD 4.13Å; L142-M212 HydrophobicContact CD2-CG 4.18Å; L142-M212 HydrophobicContact CD2-SD 4Å; L142-M212 HydrophobicContact CG-SD 4.27Å
143Q89.4Confident89.4Confident42 Ų4261.6 Ų61.620%0.19630%0.298CS..Hα-helixtrans-62.1-46178.7-70.8-168.9-23.900113.3I48 W139 R140 T145 L146 V147I48-Q143 HydrophobicContact CD1-CG 3.7Å; I48-Q143 HydrophobicContact CG1-CG 3.68Å; I48-Q143 PolarHBondContact O-NE2 3.19Å; W139-Q143 PolarHBondContact O-N 2.99Å; W139-Q143 VanDerWaalsContact O-N 3.08Å; R140-Q143 PolarHBondContact O-N 3.12Å; Q143-T145 PolarHBondContact O-N 3.44Å; Q143-L146 PolarHBondContact O-N 3.47Å; Q143-V147 WeakPolarHBondContact O-CG2 3.34Å; Q143-V147 PolarHBondContact O-N 3.39Å; Q143-V147 VanDerWaalsContact O-N 3.12Å
144E88.8Confident89.2Confident99 Ų9957.6 Ų57.646%0.46329%0.285SS..Hα-helixtrans-59.5-36.2177.8-72.8171.5-171.300111.3R140 L141 S148R140-E144 WeakPolarHBondContact CG-OE1 3.42Å; R140-E144 WeakPolarHBondContact O-CG 3.21Å; R140-E144 PolarHBondContact O-N 3.08Å; L141-E144 PolarHBondContact O-N 3.17Å; E144-S148 WeakPolarHBondContact O-CB 3.41Å; E144-S148 PolarHBondContact O-N 3.32Å; E144-S148 PolarHBondContact O-OG 3.17Å
145T88.7Confident89Confident0 Ų060.2 Ų60.20%030%0.299CS..Hα-helixtrans-68.3-43176.5-58.30000112.2L141 L142 Q143 V147 G149 L151 V153 F743L141-T145 WeakPolarHBondContact O-CB 3.37Å; L141-T145 PolarHBondContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 2.97Å; L142-T145 WeakPolarHBondContact O-CB 3.47Å; L142-T145 PolarHBondContact O-N 3.41Å; Q143-T145 PolarHBondContact O-N 3.44Å; T145-V147 VanDerWaalsContact C-N 3.28Å; T145-V147 PolarHBondContact O-N 3.12Å; T145-G149 WeakPolarHBondContact O-CA 3.07Å; T145-G149 PolarHBondContact O-N 2.94Å; T145-L151 HydrophobicContact CG2-CB 4.1Å; T145-L151 WeakPolarHBondContact CG2-O 3.39Å; T145-V153 HydrophobicContact CG2-CG2 4.38Å; T145-F743 HydrophobicContact CG2-CE1 4.34Å
146L88.1Confident88.9Confident7 Ų762.3 Ų62.34%0.03731%0.306CS..Hα-helixtrans-65.5-30.4179.1-64.3170.5000112.9L142 Q143 P207 W210 M212 P742L142-L146 HydrophobicContact CD1-CD1 4.31Å; L142-L146 HydrophobicContact CD1-CG 4.32Å; L142-L146 HydrophobicContact CG-CD1 4.25Å; L142-L146 VanDerWaalsContact O-CG 3.27Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 3.28Å; Q143-L146 PolarHBondContact O-N 3.47Å; L146-P207 HydrophobicContact CD2-CB 3.64Å; L146-W210 PolarHBondContact O-N 3.45Å; L146-M212 HydrophobicContact CD1-CG 3.8Å; L146-M212 HydrophobicContact CD1-SD 3.59Å; L146-M212 VanDerWaalsContact CD1-SD 3.59Å; L146-M212 HydrophobicContact CD2-SD 4.26Å; L146-M212 HydrophobicContact CG-SD 4.5Å; L146-P742 HydrophobicContact CD2-CB 4.39Å; L146-P742 HydrophobicContact CD2-CG 3.55Å
147V85Confident88.9Confident88 Ų8856.8 Ų56.853%0.53328%0.282SS..Hα-helixtrans-88.3-46.1179.7177.50000111.9Q143 T145 W210Q143-V147 WeakPolarHBondContact O-CG2 3.34Å; Q143-V147 PolarHBondContact O-N 3.39Å; Q143-V147 VanDerWaalsContact O-N 3.12Å; T145-V147 VanDerWaalsContact C-N 3.28Å; T145-V147 PolarHBondContact O-N 3.12Å; V147-W210 HydrophobicContact CG1-CE3 4.43Å; V147-W210 HydrophobicContact CG1-CZ3 4.46Å; V147-W210 VanDerWaalsContact O-CZ3 3.32Å; V147-W210 WeakPolarHBondContact O-CZ3 3.22Å
148S82.3Confident88.8Confident57 Ų5757.7 Ų57.740%0.39929%0.287SS..Hα-helixtrans-79.8-29.9-175.969.30000113.1E144 R150E144-S148 WeakPolarHBondContact O-CB 3.41Å; E144-S148 PolarHBondContact O-N 3.32Å; E144-S148 PolarHBondContact O-OG 3.17Å; S148-R150 PolarHBondContact O-N 3.24Å; S148-R150 VanDerWaalsContact O-N 3.09Å; S148-R150 PolarHBondContact OG-N 3.43Å
149G77.8Confident88.7Confident10 Ų1060.3 Ų60.310%0.10330%0.296CS..  trans58.513.3-169.900000114.3R26 T145R26-G149 PolarHBondContact NH2-O 3.07Å; T145-G149 WeakPolarHBondContact O-CA 3.07Å; T145-G149 PolarHBondContact O-N 2.94Å
150R76.5Confident88.8Confident213 Ų21360.3 Ų60.380%0.80430%0.296SS*.  trans-83.8-27.3-174.1-67.9-177-177.3-176.10.2113.2S148S148-R150 PolarHBondContact O-N 3.24Å; S148-R150 VanDerWaalsContact O-N 3.09Å; S148-R150 PolarHBondContact OG-N 3.43Å
151L81.4Confident89Confident94 Ų9453.9 Ų53.949%0.49227%0.272SS..SBendtrans-107.9160.6-178.4-62.9174.5000110.7L141 T145 F743L141-L151 HydrophobicContact CD1-CD1 3.68Å; T145-L151 HydrophobicContact CG2-CB 4.1Å; T145-L151 WeakPolarHBondContact CG2-O 3.39Å; L151-F743 VanDerWaalsContact O-CE1 3.27Å; L151-F743 WeakPolarHBondContact O-CE1 3.45Å
152Q85.5Confident89.1Confident109 Ų10951.8 Ų51.851%0.50926%0.261SS..  trans-70.1144.3169.5-74.2-66.1-21.400110.1P154Q152-P154 WeakPolarHBondContact O-CD 3.49Å
153V89.1Confident89.3Confident13 Ų1352.3 Ų52.38%0.07926%0.264CS..  trans-62.9123.5-179.5-179.90000109.5L142 T145 L155 V158 P207 P742 F743L142-V153 HydrophobicContact CD1-CG1 3.93Å; T145-V153 HydrophobicContact CG2-CG2 4.38Å; V153-L155 PolarHBondContact O-N 3.14Å; V153-V158 HydrophobicContact CG1-CG2 3.77Å; V153-P207 HydrophobicContact CG1-CB 4.12Å; V153-P207 HydrophobicContact CG1-CG 4.22Å; V153-P207 HydrophobicContact CG2-CB 4.46Å; V153-P742 HydrophobicContact CG2-CG 4.43Å; V153-F743 HydrophobicContact CG2-CE1 3.66Å; V153-F743 HydrophobicContact CG2-CZ 3.91Å
154P91.4Very high89.6Confident16 Ų1650.3 Ų50.310%0.10426%0.255CS..  trans-69.9101.1178.626.7-32.3000110.3L141 L142 Q152 D156 S157 V158L141-P154 HydrophobicContact CG-CG 4.42Å; L142-P154 HydrophobicContact CB-CG 3.95Å; L142-P154 HydrophobicContact CD1-CG 3.96Å; Q152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-D156 VanDerWaalsContact C-N 3.3Å; P154-D156 WeakPolarHBondContact CB-OD1 3.19Å; P154-D156 PolarHBondContact O-N 2.86Å; P154-S157 WeakPolarHBondContact O-CB 3.44Å; P154-S157 PolarHBondContact O-N 2.9Å; P154-S157 VanDerWaalsContact O-N 3.14Å; P154-V158 PolarHBondContact O-N 2.87Å
155L90.3Very high89.9Confident134 Ų13445.7 Ų45.770%0.70223%0.233SC*.Hα-helixtrans-66.4-30.4-173.2-65.5-179.1000113.2V153 S157 V158 Q159V153-L155 PolarHBondContact O-N 3.14Å; L155-S157 VanDerWaalsContact C-N 3.33Å; L155-V158 PolarHBondContact O-N 3Å; L155-Q159 WeakPolarHBondContact O-CB 3.43Å; L155-Q159 PolarHBondContact O-N 2.92Å
156D92.1Very high90.2Very high75 Ų7547.2 Ų47.240%0.40124%0.239SC..Hα-helixtrans-61.1-41.3171.960.5-21.3000111.7P154 Q159 A160P154-D156 VanDerWaalsContact C-N 3.3Å; P154-D156 WeakPolarHBondContact CB-OD1 3.19Å; P154-D156 PolarHBondContact O-N 2.86Å; D156-Q159 PolarHBondContact O-N 3.43Å; D156-A160 WeakPolarHBondContact O-CB 3.45Å; D156-A160 PolarHBondContact O-N 3.36Å
157S95.1Very high90.6Very high2 Ų247.3 Ų47.31%0.01424%0.239CC..Hα-helixtrans-66.2-42.6175.9-61.30000112V137 S138 W139 P154 L155 Q159 A160 L161V137-S157 VanDerWaalsContact CG1-CA 3.4Å; V137-S157 VanDerWaalsContact CG1-OG 3.32Å; V137-S157 WeakPolarHBondContact CG1-OG 3.24Å; S138-S157 PolarHBondContact O-OG 3.19Å; W139-S157 PolarHBondContact NE1-O 3.28Å; P154-S157 WeakPolarHBondContact O-CB 3.44Å; P154-S157 PolarHBondContact O-N 2.9Å; P154-S157 VanDerWaalsContact O-N 3.14Å; L155-S157 VanDerWaalsContact C-N 3.33Å; S157-Q159 VanDerWaalsContact C-N 3.34Å; S157-A160 PolarHBondContact O-N 3Å; S157-L161 PolarHBondContact O-N 3.28Å; S157-L161 VanDerWaalsContact O-N 3.12Å
158V94.5Very high91.1Very high19 Ų1944.2 Ų44.212%0.11522%0.219CC..Hα-helixtrans-63.5-41.3173.5178.90000110.7L142 V153 P154 L155 L161 D162 M212L142-V158 HydrophobicContact CD1-CG2 3.97Å; L142-V158 HydrophobicContact CD2-CG2 4.45Å; V153-V158 HydrophobicContact CG1-CG2 3.77Å; P154-V158 PolarHBondContact O-N 2.87Å; L155-V158 PolarHBondContact O-N 3Å; V158-L161 PolarHBondContact O-N 3.3Å; V158-D162 VanDerWaalsContact O-CB 3.27Å; V158-D162 WeakPolarHBondContact O-CB 3.06Å; V158-D162 PolarHBondContact O-N 3.2Å; V158-M212 HydrophobicContact CG1-CE 4.12Å; V158-M212 HydrophobicContact CG2-CE 4.05Å
159Q94.8Very high91.6Very high86 Ų8642 Ų4240%0.40221%0.205SC..Hα-helixtrans-65.1-43.2177.3-179.1177.7-1200112.1L155 D156 S157 L161 D162 V163L155-Q159 WeakPolarHBondContact O-CB 3.43Å; L155-Q159 PolarHBondContact O-N 2.92Å; D156-Q159 PolarHBondContact O-N 3.43Å; S157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3.15Å; Q159-D162 PolarHBondContact O-N 3.33Å; Q159-V163 HydrophobicContact CG-CG2 4.47Å; Q159-V163 VanDerWaalsContact O-CG2 3.31Å; Q159-V163 WeakPolarHBondContact O-CG2 3.32Å; Q159-V163 PolarHBondContact O-N 3.47Å
160A96.4Very high92.3Very high0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-59.2-45.5176.600000111.2Y100 V137 D156 S157 V163 A164Y100-A160 HydrophobicContact CD1-CB 3.79Å; Y100-A160 HydrophobicContact CE1-CB 3.63Å; Y100-A160 HydrophobicContact CE2-CB 4.5Å; Y100-A160 HydrophobicContact CG-CB 4.29Å; V137-A160 HydrophobicContact CG1-CB 4.13Å; D156-A160 WeakPolarHBondContact O-CB 3.45Å; D156-A160 PolarHBondContact O-N 3.36Å; S157-A160 PolarHBondContact O-N 3Å; A160-V163 PolarHBondContact O-N 2.73Å; A160-A164 PolarHBondContact O-N 3.33Å
161L96.6Very high93Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-63.5-43.7176-177.159.6000112I48 W139 S157 V158 Q159 V163 A164 M165 V205 M212 I398I48-L161 HydrophobicContact CG2-CD1 3.92Å; I48-L161 HydrophobicContact CG2-CD2 3.77Å; W139-L161 HydrophobicContact CH2-CD1 3.96Å; W139-L161 HydrophobicContact CZ2-CB 3.92Å; W139-L161 HydrophobicContact CZ2-CD1 3.94Å; S157-L161 PolarHBondContact O-N 3.28Å; S157-L161 VanDerWaalsContact O-N 3.12Å; V158-L161 PolarHBondContact O-N 3.3Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3.15Å; L161-V163 VanDerWaalsContact C-N 3.33Å; L161-V163 PolarHBondContact O-N 3.17Å; L161-A164 PolarHBondContact O-N 3.36Å; L161-M165 HydrophobicContact CD1-CG 4.24Å; L161-M165 HydrophobicContact CD1-SD 4.24Å; L161-M165 HydrophobicContact CG-SD 4.32Å; L161-M165 WeakPolarHBondContact O-CG 3.26Å; L161-M165 PolarHBondContact O-N 3.46Å; L161-V205 HydrophobicContact CD2-CG1 3.66Å; L161-V205 HydrophobicContact CG-CG1 3.96Å; L161-M212 HydrophobicContact CD2-CB 4.13Å; L161-M212 HydrophobicContact CD2-CE 4.08Å; L161-M212 HydrophobicContact CD2-CG 3.91Å; L161-I398 HydrophobicContact CD1-CD1 3.44Å; L161-I398 VanDerWaalsContact CD1-CD1 3.44Å; L161-I398 HydrophobicContact CD1-CG1 3.95Å
162D94.8Very high93.5Very high23 Ų2338.8 Ų38.812%0.12319%0.189CC..Hα-helixtrans-62.7-36.9177.4-175.273.9000112.7V158 Q159 R166 V205V158-D162 VanDerWaalsContact O-CB 3.27Å; V158-D162 WeakPolarHBondContact O-CB 3.06Å; V158-D162 PolarHBondContact O-N 3.2Å; Q159-D162 PolarHBondContact O-N 3.33Å; D162-R166 WeakPolarHBondContact O-CB 3.28Å; D162-R166 VanDerWaalsContact O-CG 3.27Å; D162-R166 WeakPolarHBondContact O-CG 3.33Å; D162-R166 PolarHBondContact O-N 3.48Å; D162-R166 IonicContact OD1-CZ 2.86Å; D162-R166 IonicContact OD1-NE 2.82Å; D162-R166 PolarHBondContact OD1-NE 3.1Å; D162-R166 IonicContact OD1-NH1 3.49Å; D162-R166 PolarHBondContact OD1-NH1 3.35Å; D162-R166 IonicContact OD1-NH2 3.02Å; D162-R166 PolarHBondContact OD1-NH2 3.36Å; D162-R166 IonicContact OD2-CZ 3.53Å; D162-R166 IonicContact OD2-NE 3.94Å; D162-R166 IonicContact OD2-NH1 3.84Å; D162-R166 PolarHBondContact OD2-NH1 3.42Å; D162-R166 IonicContact OD2-NH2 3.25Å; D162-R166 PolarHBondContact OD2-NH2 3.26Å; D162-V205 HydrophobicContact CB-CB 4.27Å; D162-V205 HydrophobicContact CB-CG2 4.32Å
163V96.4Very high93.8Very high12 Ų1237.8 Ų37.87%0.07318%0.181CC..Hα-helixtrans-68.7-44.4174.4171.70000110.9V92 D94 Y100 Q159 A160 L161 R166 H167V92-V163 HydrophobicContact CB-CG1 4.36Å; V92-V163 HydrophobicContact CG2-CG1 4.17Å; D94-V163 HydrophobicContact CB-CG1 4.2Å; D94-V163 HydrophobicContact CB-CG2 3.76Å; Y100-V163 HydrophobicContact CD2-CB 4.2Å; Y100-V163 HydrophobicContact CD2-CG1 3.97Å; Y100-V163 HydrophobicContact CE2-CB 4.06Å; Y100-V163 HydrophobicContact CE2-CG1 4.11Å; Y100-V163 HydrophobicContact CE2-CG2 4.1Å; Q159-V163 HydrophobicContact CG-CG2 4.47Å; Q159-V163 VanDerWaalsContact O-CG2 3.31Å; Q159-V163 WeakPolarHBondContact O-CG2 3.32Å; Q159-V163 PolarHBondContact O-N 3.47Å; A160-V163 PolarHBondContact O-N 2.73Å; L161-V163 VanDerWaalsContact C-N 3.33Å; L161-V163 PolarHBondContact O-N 3.17Å; V163-R166 PolarHBondContact O-N 3.08Å; V163-H167 PolarHBondContact O-N 2.88Å; V163-H167 VanDerWaalsContact O-N 3.15Å
164A96.9Very high94Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-58.1-52.2178.300000111.5V92 A160 L161 R166 H167 F396 I398V92-A164 HydrophobicContact CG1-CB 4.39Å; V92-A164 HydrophobicContact CG2-CB 4.01Å; A160-A164 PolarHBondContact O-N 3.33Å; L161-A164 PolarHBondContact O-N 3.36Å; A164-R166 PolarHBondContact O-N 3Å; A164-H167 PolarHBondContact O-N 3.09Å; A164-F396 HydrophobicContact CB-CD1 4.36Å; A164-F396 HydrophobicContact CB-CD2 4.5Å; A164-F396 HydrophobicContact CB-CG 4.29Å; A164-I398 HydrophobicContact CB-CD1 4.2Å
165M95.4Very high94.1Very high1 Ų140.9 Ų40.91%0.00520%0.201CC..Hα-helixtrans-67.5-20.8-177.5-63.8-170.879.300113.9V46 L161 Q203 V205 L214 I398 V400V46-M165 HydrophobicContact CG1-CE 4.49Å; V46-M165 HydrophobicContact CG1-SD 4.27Å; V46-M165 HydrophobicContact CG2-CE 4.14Å; V46-M165 HydrophobicContact CG2-SD 4.34Å; L161-M165 HydrophobicContact CD1-CG 4.24Å; L161-M165 HydrophobicContact CD1-SD 4.24Å; L161-M165 HydrophobicContact CG-SD 4.32Å; L161-M165 WeakPolarHBondContact O-CG 3.26Å; L161-M165 PolarHBondContact O-N 3.46Å; M165-Q203 PolarHBondContact O-NE2 2.85Å; M165-V205 HydrophobicContact CB-CG2 4.31Å; M165-V205 HydrophobicContact CG-CG2 4.25Å; M165-V205 HydrophobicContact SD-CG2 3.38Å; M165-V205 WeakPolarHBondContact SD-CG2 3.33Å; M165-L214 HydrophobicContact CE-CB 4.16Å; M165-L214 HydrophobicContact CE-CD1 3.58Å; M165-L214 HydrophobicContact CE-CD2 3.71Å; M165-L214 HydrophobicContact CE-CG 4Å; M165-L214 HydrophobicContact SD-CD1 4.1Å; M165-I398 HydrophobicContact CG-CD1 4.38Å; M165-V400 HydrophobicContact CE-CG2 3.55Å
166R94.9Very high94.2Very high33 Ų3335.5 Ų35.513%0.12517%0.173CC..Hα-helixtrans-98.1-9.4-178.5-75.7-173.6-175.7144.816.5114.1D162 V163 A164 L168 A169 S170 F180 Q203D162-R166 WeakPolarHBondContact O-CB 3.28Å; D162-R166 VanDerWaalsContact O-CG 3.27Å; D162-R166 WeakPolarHBondContact O-CG 3.33Å; D162-R166 PolarHBondContact O-N 3.48Å; D162-R166 IonicContact OD1-CZ 2.86Å; D162-R166 IonicContact OD1-NE 2.82Å; D162-R166 PolarHBondContact OD1-NE 3.1Å; D162-R166 IonicContact OD1-NH1 3.49Å; D162-R166 PolarHBondContact OD1-NH1 3.35Å; D162-R166 IonicContact OD1-NH2 3.02Å; D162-R166 PolarHBondContact OD1-NH2 3.36Å; D162-R166 IonicContact OD2-CZ 3.53Å; D162-R166 IonicContact OD2-NE 3.94Å; D162-R166 IonicContact OD2-NH1 3.84Å; D162-R166 PolarHBondContact OD2-NH1 3.42Å; D162-R166 IonicContact OD2-NH2 3.25Å; D162-R166 PolarHBondContact OD2-NH2 3.26Å; V163-R166 PolarHBondContact O-N 3.08Å; A164-R166 PolarHBondContact O-N 3Å; R166-L168 PolarHBondContact O-N 3.03Å; R166-A169 PolarHBondContact O-N 3.25Å; R166-S170 VanDerWaalsContact O-CB 3.31Å; R166-S170 WeakPolarHBondContact O-CB 3.44Å; R166-S170 PolarHBondContact O-N 2.91Å; R166-S170 PolarHBondContact O-OG 3.27Å; R166-F180 HydrophobicContact CB-CZ 4.03Å; R166-F180 HydrophobicContact CG-CE2 4.13Å; R166-F180 HydrophobicContact CG-CZ 3.94Å; R166-Q203 HydrophobicContact CG-CG 4.48Å; R166-Q203 PolarHBondContact NE-O 2.79Å; R166-Q203 PolarHBondContact NH2-O 2.96Å
167H95.9Very high94Very high8 Ų835.7 Ų35.74%0.03719%0.193CC..Hα-helixtrans-59.2-54.9-166.2-178.672.6000112.1V92 Y93 V163 A164 S170 M171 Y392V92-H167 HydrophobicContact CB-CB 3.98Å; V92-H167 HydrophobicContact CG1-CB 3.88Å; Y93-H167 PolarHBondContact N-ND1 3.29Å; Y93-H167 PolarHBondContact O-ND1 3.09Å; V163-H167 PolarHBondContact O-N 2.88Å; V163-H167 VanDerWaalsContact O-N 3.15Å; A164-H167 PolarHBondContact O-N 3.09Å; H167-S170 WeakPolarHBondContact O-CB 3.47Å; H167-S170 PolarHBondContact O-N 2.9Å; H167-M171 PolarHBondContact O-N 3.01Å; H167-Y392 AromaticContact CD2-CD1 3.58Å; H167-Y392 AromaticContact CD2-CD2 3.7Å; H167-Y392 AromaticContact CD2-CE1 3.44Å; H167-Y392 VanDerWaalsContact CD2-CE1 3.44Å; H167-Y392 WeakPolarHBondContact CD2-CE1 3.49Å; H167-Y392 AromaticContact CD2-CE2 3.57Å; H167-Y392 AromaticContact CD2-CG 3.7Å; H167-Y392 AromaticContact CD2-CZ 3.43Å; H167-Y392 VanDerWaalsContact CD2-CZ 3.43Å; H167-Y392 AromaticContact NE2-CE1 3.57Å; H167-Y392 AromaticContact NE2-CZ 3.53Å
168L94.5Very high93.8Very high23 Ų2341 Ų4112%0.1221%0.213CC..Hα-helixtrans-65.7-44.7-179.2-174.858.4000112.6R166 S170 M171 R172 D390 Y392R166-L168 PolarHBondContact O-N 3.03Å; L168-S170 PolarHBondContact O-N 2.68Å; L168-M171 WeakPolarHBondContact O-CB 3.41Å; L168-M171 PolarHBondContact O-N 3.14Å; L168-R172 HydrophobicContact CD1-CG 4.17Å; L168-R172 HydrophobicContact CG-CG 4.36Å; L168-R172 PolarHBondContact O-N 3.46Å; L168-D390 WeakPolarHBondContact CB-OD2 3.18Å; L168-D390 HydrophobicContact CD2-CB 4.22Å; L168-D390 VanDerWaalsContact CD2-CG 3.45Å; L168-D390 VanDerWaalsContact CD2-OD2 3.25Å; L168-D390 WeakPolarHBondContact CD2-OD2 3.42Å; L168-Y392 HydrophobicContact CB-CD2 4.1Å; L168-Y392 HydrophobicContact CB-CE2 4.44Å; L168-Y392 HydrophobicContact CD1-CE2 4.16Å
169A93.4Very high93.8Very high12 Ų1240.7 Ų40.710%0.09921%0.211CC..Hα-helixtrans-58.6-34.9176.800000112R166 M171 Y173 F180 F201R166-A169 PolarHBondContact O-N 3.25Å; A169-M171 VanDerWaalsContact C-N 3.25Å; A169-M171 PolarHBondContact O-N 2.94Å; A169-Y173 HydrophobicContact CB-CD2 4.05Å; A169-Y173 HydrophobicContact CB-CE2 4.42Å; A169-Y173 WeakPolarHBondContact O-CB 3.46Å; A169-Y173 WeakPolarHBondContact O-CD2 3.42Å; A169-Y173 PolarHBondContact O-N 3.18Å; A169-F180 HydrophobicContact CB-CD1 4.1Å; A169-F180 HydrophobicContact CB-CD2 3.98Å; A169-F180 HydrophobicContact CB-CE1 4.02Å; A169-F180 HydrophobicContact CB-CE2 3.87Å; A169-F180 HydrophobicContact CB-CG 4.09Å; A169-F180 HydrophobicContact CB-CZ 3.89Å; A169-F201 HydrophobicContact CB-CZ 4.36Å
170S93.5Very high93.8Very high13 Ų1336.8 Ų36.89%0.09119%0.193CC..Hα-helixtrans-70.7-19.4177.1-58.50000114.2R166 H167 L168 F180R166-S170 VanDerWaalsContact O-CB 3.31Å; R166-S170 WeakPolarHBondContact O-CB 3.44Å; R166-S170 PolarHBondContact O-N 2.91Å; R166-S170 PolarHBondContact O-OG 3.27Å; H167-S170 WeakPolarHBondContact O-CB 3.47Å; H167-S170 PolarHBondContact O-N 2.9Å; L168-S170 PolarHBondContact O-N 2.68Å; S170-F180 WeakPolarHBondContact OG-CE1 3.32Å
171M91Very high93.7Very high64 Ų6437 Ų3732%0.31519%0.194SC..Hα-helixtrans-90.6-40.3175-67.6-61.6-78.900111.8R71 E75 H167 L168 A169R71-M171 HydrophobicContact CB-CE 4.39Å; R71-M171 HydrophobicContact CB-SD 3.41Å; R71-M171 WeakPolarHBondContact CB-SD 3.41Å; R71-M171 HydrophobicContact CG-SD 4.19Å; E75-M171 HydrophobicContact CB-CE 4.06Å; E75-M171 HydrophobicContact CG-CE 4.23Å; H167-M171 PolarHBondContact O-N 3.01Å; L168-M171 WeakPolarHBondContact O-CB 3.41Å; L168-M171 PolarHBondContact O-N 3.14Å; A169-M171 VanDerWaalsContact C-N 3.25Å; A169-M171 PolarHBondContact O-N 2.94Å
172R91Very high93.5Very high171 Ų17138.9 Ų38.965%0.64521%0.207SC*.Hα-helixtrans-78-39.5-176.6-69.6-175.9174.9177.2-0.4113.5L168L168-R172 HydrophobicContact CD1-CG 4.17Å; L168-R172 HydrophobicContact CG-CG 4.36Å; L168-R172 PolarHBondContact O-N 3.46Å
173Y93.1Very high93.3Very high88 Ų8841 Ų4135%0.34522%0.222SC..SBendtrans-110172.3-172.8-56-63.5000112.2A169 P175 F180 F201A169-Y173 HydrophobicContact CB-CD2 4.05Å; A169-Y173 HydrophobicContact CB-CE2 4.42Å; A169-Y173 WeakPolarHBondContact O-CB 3.46Å; A169-Y173 WeakPolarHBondContact O-CD2 3.42Å; A169-Y173 PolarHBondContact O-N 3.18Å; Y173-P175 WeakPolarHBondContact O-CD 3.45Å; Y173-F180 HydrophobicContact CD2-CB 4.01Å; Y173-F180 HydrophobicContact CD2-CG 4.49Å; Y173-F180 HydrophobicContact CG-CB 4.13Å; Y173-F201 HydrophobicContact CD2-CE1 4.05Å; Y173-F201 HydrophobicContact CD2-CZ 4.16Å; Y173-F201 AromaticContact CE2-CE1 3.83Å; Y173-F201 HydrophobicContact CE2-CE1 3.83Å; Y173-F201 AromaticContact CE2-CZ 4Å; Y173-F201 HydrophobicContact CE2-CZ 4Å
174T93.1Very high92.7Very high33 Ų3342.1 Ų42.120%0.20223%0.229CC..EExtended strand (participates in β ladder)trans-85.2109.7171.4-60.60000110V176 F181 F223T174-V176 HydrophobicContact CG2-CG2 4.5Å; T174-F181 WeakPolarHBondContact CB-O 3.48Å; T174-F181 PolarHBondContact N-O 3.05Å; T174-F181 PolarHBondContact O-N 2.84Å; T174-F223 HydrophobicContact CG2-CE1 4.11Å; T174-F223 HydrophobicContact CG2-CZ 4.3Å
175P93.2Very high92.2Very high62 Ų6250 Ų5040%0.40327%0.266SS..EExtended strand (participates in β ladder)trans-78.3132-177.1-13.932.5000111Y173 F180Y173-P175 WeakPolarHBondContact O-CD 3.45Å; P175-F180 HydrophobicContact CB-CD1 4.13Å; P175-F180 HydrophobicContact CB-CE1 4Å; P175-F180 HydrophobicContact CG-CD1 4.29Å; P175-F180 HydrophobicContact CG-CE1 4.21Å
176V91Very high91.5Very high20 Ų2054.7 Ų54.712%0.12131%0.314CS..EExtended strand (participates in β ladder)trans-134.998.8177.3175.40000108.5T174 R178 S179 F181 F223 R350T174-V176 HydrophobicContact CG2-CG2 4.5Å; V176-R178 PolarHBondContact O-N 3.28Å; V176-S179 PolarHBondContact N-O 3.06Å; V176-S179 PolarHBondContact O-N 3.25Å; V176-F181 HydrophobicContact CB-CD2 3.78Å; V176-F181 HydrophobicContact CB-CE2 3.67Å; V176-F181 HydrophobicContact CG1-CE2 4.12Å; V176-F181 HydrophobicContact CG2-CD2 3.75Å; V176-F181 HydrophobicContact CG2-CE2 4.1Å; V176-F223 HydrophobicContact CG2-CZ 4.16Å; V176-R350 VanDerWaalsContact CG1-CD 3.45Å
177G89.1Confident91.1Very high79 Ų7956.2 Ų56.281%0.81432%0.321SS*.THydrogen-bonded Turntrans64.2-120.4-173.300000110.6
178R90.4Very high90.7Very high115 Ų11562.1 Ų62.143%0.43434%0.344SS..THydrogen-bonded Turntrans-98.814.1174.4-66.6-174.5173.3171.9-2.3112.8V176 H202 Q203 E672V176-R178 PolarHBondContact O-N 3.28Å; R178-H202 PolarHBondContact O-ND1 3.43Å; R178-Q203 PolarHBondContact O-N 3.27Å; R178-E672 IonicContact NH1-OE2 2.66Å
179S94.3Very high90.7Very high11 Ų1163.8 Ų63.88%0.07735%0.351CS..EExtended strand (participates in β ladder)trans-118157.4-179.7-490000111.9V176 F201V176-S179 PolarHBondContact N-O 3.06Å; V176-S179 PolarHBondContact O-N 3.25Å; S179-F201 CarbonylContact C-O 3.59Å; S179-F201 WeakPolarHBondContact CA-O 3.47Å; S179-F201 VanDerWaalsContact CB-O 3.31Å; S179-F201 WeakPolarHBondContact CB-O 3.45Å
180F94.8Very high90.7Very high5 Ų565.9 Ų65.92%0.02236%0.363CS..EExtended strand (participates in β ladder)trans-124.8131.6-178.8-61.9-73.5000109.3R166 A169 S170 Y173 P175 G200 F201 Q203R166-F180 HydrophobicContact CB-CZ 4.03Å; R166-F180 HydrophobicContact CG-CE2 4.13Å; R166-F180 HydrophobicContact CG-CZ 3.94Å; A169-F180 HydrophobicContact CB-CD1 4.1Å; A169-F180 HydrophobicContact CB-CD2 3.98Å; A169-F180 HydrophobicContact CB-CE1 4.02Å; A169-F180 HydrophobicContact CB-CE2 3.87Å; A169-F180 HydrophobicContact CB-CG 4.09Å; A169-F180 HydrophobicContact CB-CZ 3.89Å; S170-F180 WeakPolarHBondContact OG-CE1 3.32Å; Y173-F180 HydrophobicContact CD2-CB 4.01Å; Y173-F180 HydrophobicContact CD2-CG 4.49Å; Y173-F180 HydrophobicContact CG-CB 4.13Å; P175-F180 HydrophobicContact CB-CD1 4.13Å; P175-F180 HydrophobicContact CB-CE1 4Å; P175-F180 HydrophobicContact CG-CD1 4.29Å; P175-F180 HydrophobicContact CG-CE1 4.21Å; F180-G200 CarbonylContact O-C 3.53Å; F180-G200 WeakPolarHBondContact O-CA 3.35Å; F180-F201 HydrophobicContact CB-CD1 4.38Å; F180-F201 HydrophobicContact CB-CE1 3.9Å; F180-F201 HydrophobicContact CB-CE2 4.34Å; F180-F201 HydrophobicContact CB-CZ 3.88Å; F180-F201 HydrophobicContact CD2-CD2 4.27Å; F180-F201 AromaticContact CD2-CE2 3.62Å; F180-F201 HydrophobicContact CD2-CE2 3.62Å; F180-F201 AromaticContact CD2-CZ 3.82Å; F180-F201 HydrophobicContact CD2-CZ 3.82Å; F180-F201 HydrophobicContact CE2-CE2 4.42Å; F180-F201 HydrophobicContact CG-CE2 4.39Å; F180-F201 HydrophobicContact CG-CZ 4.17Å; F180-F201 PolarHBondContact N-O 3.05Å; F180-F201 PolarHBondContact O-N 3.12Å; F180-Q203 HydrophobicContact CD2-CB 4.36Å; F180-Q203 HydrophobicContact CE2-CB 4.04Å
181F94.8Very high90.7Very high4 Ų465.9 Ų65.92%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-127.7147.1-176.8-64-88.6000111.1T174 V176 W198 T221 F223T174-F181 WeakPolarHBondContact CB-O 3.48Å; T174-F181 PolarHBondContact N-O 3.05Å; T174-F181 PolarHBondContact O-N 2.84Å; V176-F181 HydrophobicContact CB-CD2 3.78Å; V176-F181 HydrophobicContact CB-CE2 3.67Å; V176-F181 HydrophobicContact CG1-CE2 4.12Å; V176-F181 HydrophobicContact CG2-CD2 3.75Å; V176-F181 HydrophobicContact CG2-CE2 4.1Å; F181-W198 HydrophobicContact CB-CE3 4.2Å; F181-W198 HydrophobicContact CD1-CB 4.47Å; F181-T221 HydrophobicContact CD1-CG2 3.96Å; F181-T221 HydrophobicContact CD2-CG2 4.24Å; F181-T221 HydrophobicContact CE1-CG2 3.62Å; F181-T221 HydrophobicContact CE2-CG2 3.9Å; F181-T221 HydrophobicContact CG-CG2 4.26Å; F181-T221 HydrophobicContact CZ-CG2 3.58Å; F181-F223 HydrophobicContact CB-CE2 3.83Å; F181-F223 HydrophobicContact CB-CZ 3.84Å; F181-F223 HydrophobicContact CD1-CE2 4.22Å; F181-F223 HydrophobicContact CD2-CE2 4.36Å; F181-F223 HydrophobicContact CD2-CZ 4.38Å; F181-F223 AromaticContact CG-CE2 3.88Å; F181-F223 HydrophobicContact CG-CE2 3.88Å; F181-F223 HydrophobicContact CG-CZ 4.15Å
182S92.1Very high90.8Very high40 Ų4064.3 Ų64.328%0.2836%0.362SS..  trans-123.2157175.856.90000111.2F199S182-F199 PolarHBondContact N-O 2.89Å
183P90.3Very high91Very high68 Ų6856.9 Ų56.944%0.44234%0.338SS..  trans-54.1150.8167.9-21.632000111.6E185 W198P183-E185 PolarHBondContact O-N 3.49Å; P183-W198 HydrophobicContact CB-CH2 4.07Å; P183-W198 HydrophobicContact CB-CZ2 4.06Å; P183-W198 HydrophobicContact CG-CH2 3.62Å; P183-W198 HydrophobicContact CG-CZ2 4.12Å; P183-W198 HydrophobicContact CG-CZ3 4.05Å
184P85.3Confident91.1Very high34 Ų3452.7 Ų52.722%0.22132%0.322CS..  trans-61.3126.7173.2-22.834.3000112.5Y187P184-Y187 VanDerWaalsContact CA-CZ 3.47Å; P184-Y187 HydrophobicContact CB-CD2 3.82Å; P184-Y187 HydrophobicContact CB-CE1 4.34Å; P184-Y187 HydrophobicContact CB-CE2 3.41Å; P184-Y187 VanDerWaalsContact CB-CE2 3.41Å; P184-Y187 HydrophobicContact CB-CG 4.4Å; P184-Y187 WeakPolarHBondContact CB-O 3.07Å; P184-Y187 HydrophobicContact CG-CE2 3.8Å
185E84.4Confident91.2Very high167 Ų16751.2 Ų51.278%0.7831%0.313SS*.SBendtrans-125.5119171.1-71.3179.4-171.100108P183 Y187P183-E185 PolarHBondContact O-N 3.49Å; E185-Y187 VanDerWaalsContact C-N 3.26Å; E185-Y187 WeakPolarHBondContact O-CD1 3.45Å; E185-Y187 PolarHBondContact O-N 3.14Å
186G82.4Confident91.4Very high98 Ų9849.2 Ų49.2100%1.0130%0.298SS*.SBendtrans74.65.8-178.500000115.8
187Y84.9Confident91.6Very high66 Ų6648.3 Ų48.326%0.25929%0.293SS..  trans-143154.117265.8-93.8000111.6P184 E185 H189 F199P184-Y187 VanDerWaalsContact CA-CZ 3.47Å; P184-Y187 HydrophobicContact CB-CD2 3.82Å; P184-Y187 HydrophobicContact CB-CE1 4.34Å; P184-Y187 HydrophobicContact CB-CE2 3.41Å; P184-Y187 VanDerWaalsContact CB-CE2 3.41Å; P184-Y187 HydrophobicContact CB-CG 4.4Å; P184-Y187 WeakPolarHBondContact CB-O 3.07Å; P184-Y187 HydrophobicContact CG-CE2 3.8Å; E185-Y187 VanDerWaalsContact C-N 3.26Å; E185-Y187 WeakPolarHBondContact O-CD1 3.45Å; E185-Y187 PolarHBondContact O-N 3.14Å; Y187-H189 AromaticContact CD2-CD2 3.75Å; Y187-F199 HydrophobicContact CD2-CD2 4.1Å; Y187-F199 HydrophobicContact CD2-CE2 4.23Å; Y187-F199 HydrophobicContact CE1-CD2 4.23Å; Y187-F199 AromaticContact CE2-CD2 3.52Å; Y187-F199 HydrophobicContact CE2-CD2 3.52Å; Y187-F199 HydrophobicContact CE2-CE2 4.05Å; Y187-F199 AromaticContact CZ-CD2 3.59Å; Y187-F199 PolarHBondContact OH-N 3.14Å
188Y88.9Confident92Very high132 Ų13245 Ų4552%0.51826%0.255SS..  trans-142.7119.9176.7-178.9-122.7000111P190 K225Y188-P190 HydrophobicContact CD1-CG 4.22Å; Y188-P190 HydrophobicContact CE1-CB 4.15Å; Y188-P190 HydrophobicContact CE1-CG 3.69Å; Y188-P190 HydrophobicContact CE2-CB 4.46Å; Y188-K225 VanDerWaalsContact OH-CE 3.26Å; Y188-K225 WeakPolarHBondContact OH-CE 3.42Å; Y188-K225 PolarHBondContact OH-NZ 3Å
189H93.1Very high92.1Very high58 Ų5841.4 Ų41.427%0.26924%0.243SC..  trans-131.680.5-177.5-66.1-50.3000111.1Y187 E196 V197 F199 A366Y187-H189 AromaticContact CD2-CD2 3.75Å; H189-E196 WeakPolarHBondContact O-CA 3.47Å; H189-V197 HydrophobicContact CB-CB 3.96Å; H189-V197 HydrophobicContact CB-CG2 4.11Å; H189-V197 PolarHBondContact O-N 2.79Å; H189-F199 AromaticContact CD2-CE2 3.67Å; H189-F199 AromaticContact NE2-CE2 3.95Å; H189-A366 HydrophobicContact CB-CB 4.5Å
190P94.2Very high92.1Very high55 Ų5541.5 Ų41.536%0.35725%0.246SC..BIsolated β-bridgetrans-69.1139.9175.528.9-33.6000110.5Y188Y188-P190 HydrophobicContact CD1-CG 4.22Å; Y188-P190 HydrophobicContact CE1-CB 4.15Å; Y188-P190 HydrophobicContact CE1-CG 3.69Å; Y188-P190 HydrophobicContact CE2-CB 4.46Å
191L94.2Very high92.1Very high14 Ų1442 Ų427%0.07325%0.248CC..  trans-98.5-15.3172.7-62.1177.2000111.6R195 V197 A222 L355 Q359 T362 M363L191-R195 HydrophobicContact CB-CB 4.09Å; L191-R195 HydrophobicContact CD1-CB 4.39Å; L191-R195 PolarHBondContact N-O 2.81Å; L191-V197 HydrophobicContact CD1-CG2 4.01Å; L191-V197 HydrophobicContact CD2-CG2 3.63Å; L191-V197 HydrophobicContact CG-CG2 3.86Å; L191-A222 HydrophobicContact CD1-CB 3.81Å; L191-L355 HydrophobicContact CD1-CD1 4.37Å; L191-L355 HydrophobicContact CD1-CD2 4.43Å; L191-Q359 HydrophobicContact CB-CB 4.44Å; L191-Q359 HydrophobicContact CB-CG 4.12Å; L191-Q359 VanDerWaalsContact O-CG 3.23Å; L191-Q359 WeakPolarHBondContact O-CG 3.35Å; L191-T362 HydrophobicContact CD2-CG2 3.95Å; L191-M363 HydrophobicContact CD2-CB 3.96Å
192G92.9Very high92.2Very high30 Ų3042.2 Ų42.231%0.30925%0.249SC..SBendtrans79.3163.4-169.100000112.5G194 Q359G192-G194 VanDerWaalsContact C-N 3.32Å; G192-Q359 PolarHBondContact O-NE2 3.36Å
193G93.8Very high92.3Very high15 Ų1540.3 Ų40.316%0.15524%0.236CC..SBendtrans67.331.4-17500000113.4E235G193-E235 PolarHBondContact N-OE2 3.35Å
194G95.3Very high92.5Very high0 Ų037.2 Ų37.20%022%0.215CC..SBendtrans75.424.4178.400000114.5G192 Y224 K225 E235G192-G194 VanDerWaalsContact C-N 3.32Å; G194-Y224 WeakPolarHBondContact O-CA 3.28Å; G194-K225 PolarHBondContact O-N 2.88Å; G194-E235 VanDerWaalsContact CA-OE2 3.28Å; G194-E235 WeakPolarHBondContact CA-OE2 3.38Å; G194-E235 PolarHBondContact N-OE2 3.36Å
195R97Very high93Very high3 Ų336.1 Ų36.11%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-125150.1-172.7-60.9167.1-168.5179.4-1.4111.1L191 F223 Y224 E260L191-R195 HydrophobicContact CB-CB 4.09Å; L191-R195 HydrophobicContact CD1-CB 4.39Å; L191-R195 PolarHBondContact N-O 2.81Å; R195-F223 CarbonylContact C-O 3.47Å; R195-F223 VanDerWaalsContact CA-O 3.29Å; R195-F223 WeakPolarHBondContact CA-O 3.44Å; R195-Y224 HydrophobicContact CG-CD1 4.1Å; R195-Y224 HydrophobicContact CG-CE1 4.13Å; R195-E260 IonicContact CZ-OE2 2.93Å; R195-E260 IonicContact NH2-OE1 3.17Å; R195-E260 PolarHBondContact NH2-OE1 2.99Å; R195-E260 IonicContact NH2-OE2 3.85Å; R195-E260 PolarHBondContact NH2-OE2 2.9Å
196E96.4Very high93.4Very high20 Ų2030 Ų309%0.09318%0.178CC..EExtended strand (participates in β ladder)trans-144.616717862.2-179.7-179.500111.6H189 W198 A222 F223 K225H189-E196 WeakPolarHBondContact O-CA 3.47Å; E196-W198 PolarHBondContact OE1-NE1 2.49Å; E196-A222 CarbonylContact O-C 3.56Å; E196-A222 WeakPolarHBondContact O-CA 3.35Å; E196-F223 PolarHBondContact N-O 3.46Å; E196-F223 PolarHBondContact O-N 3.31Å; E196-K225 HydrophobicContact CB-CG 3.91Å; E196-K225 HydrophobicContact CG-CG 3.83Å
197V96.3Very high93.9Very high1 Ų126.8 Ų26.81%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-94.3125.8176.5-175.60000110.1H189 L191 F199 A220 M363 T367H189-V197 HydrophobicContact CB-CB 3.96Å; H189-V197 HydrophobicContact CB-CG2 4.11Å; H189-V197 PolarHBondContact O-N 2.79Å; L191-V197 HydrophobicContact CD1-CG2 4.01Å; L191-V197 HydrophobicContact CD2-CG2 3.63Å; L191-V197 HydrophobicContact CG-CG2 3.86Å; V197-F199 HydrophobicContact CG1-CE2 4.44Å; V197-A220 HydrophobicContact CG1-CB 3.87Å; V197-M363 HydrophobicContact CG2-CG 4.48Å; V197-T367 HydrophobicContact CG1-CG2 4.07Å
198W95.9Very high94.2Very high8 Ų823.6 Ų23.63%0.0313%0.127CC..EExtended strand (participates in β ladder)trans-104.8135.1164.7-68.316.5000109.6F181 P183 E196 A220 T221 F223 G348F181-W198 HydrophobicContact CB-CE3 4.2Å; F181-W198 HydrophobicContact CD1-CB 4.47Å; P183-W198 HydrophobicContact CB-CH2 4.07Å; P183-W198 HydrophobicContact CB-CZ2 4.06Å; P183-W198 HydrophobicContact CG-CH2 3.62Å; P183-W198 HydrophobicContact CG-CZ2 4.12Å; P183-W198 HydrophobicContact CG-CZ3 4.05Å; E196-W198 PolarHBondContact OE1-NE1 2.49Å; W198-A220 VanDerWaalsContact O-CA 3.29Å; W198-A220 WeakPolarHBondContact O-CA 3.08Å; W198-T221 PolarHBondContact N-O 3.5Å; W198-T221 PolarHBondContact O-N 3.37Å; W198-F223 HydrophobicContact CB-CD2 3.46Å; W198-F223 VanDerWaalsContact CB-CD2 3.46Å; W198-F223 HydrophobicContact CB-CE2 3.74Å; W198-F223 HydrophobicContact CB-CG 4.28Å; W198-F223 HydrophobicContact CD2-CB 3.95Å; W198-F223 AromaticContact CD2-CD1 3.91Å; W198-F223 HydrophobicContact CD2-CD1 3.91Å; W198-F223 AromaticContact CD2-CD2 3.6Å; W198-F223 HydrophobicContact CD2-CD2 3.6Å; W198-F223 HydrophobicContact CD2-CE1 4.31Å; W198-F223 AromaticContact CD2-CE2 3.97Å; W198-F223 HydrophobicContact CD2-CE2 3.97Å; W198-F223 AromaticContact CD2-CG 3.55Å; W198-F223 HydrophobicContact CD2-CG 3.55Å; W198-F223 HydrophobicContact CD2-CZ 4.33Å; W198-F223 AromaticContact CE2-CG 3.91Å; W198-F223 AromaticContact CE3-CD1 3.85Å; W198-F223 HydrophobicContact CE3-CD1 3.85Å; W198-F223 AromaticContact CE3-CD2 3.91Å; W198-F223 HydrophobicContact CE3-CD2 3.91Å; W198-F223 AromaticContact CE3-CE1 3.8Å; W198-F223 HydrophobicContact CE3-CE1 3.8Å; W198-F223 AromaticContact CE3-CE2 3.8Å; W198-F223 HydrophobicContact CE3-CE2 3.8Å; W198-F223 AromaticContact CE3-CG 3.92Å; W198-F223 HydrophobicContact CE3-CG 3.92Å; W198-F223 AromaticContact CE3-CZ 3.77Å; W198-F223 HydrophobicContact CE3-CZ 3.77Å; W198-F223 HydrophobicContact CG-CB 3.9Å; W198-F223 AromaticContact CG-CD2 3.39Å; W198-F223 HydrophobicContact CG-CD2 3.39Å; W198-F223 AromaticContact CG-CE2 3.97Å; W198-F223 HydrophobicContact CG-CE2 3.97Å; W198-F223 AromaticContact CG-CG 3.7Å; W198-F223 HydrophobicContact CG-CG 3.7Å; W198-F223 HydrophobicContact CH2-CD1 4.43Å; W198-F223 HydrophobicContact CZ2-CD1 4.46Å; W198-F223 HydrophobicContact CZ3-CD1 4.13Å; W198-F223 HydrophobicContact CZ3-CE1 4.02Å; W198-F223 HydrophobicContact CZ3-CZ 4.34Å; W198-G348 VanDerWaalsContact CH2-CA 3.43Å
199F93.2Very high94.1Very high41 Ų4118 Ų1818%0.1811%0.105CC..EExtended strand (participates in β ladder)trans-89.1162.7169.1-70.8-82.1000110.7S182 Y187 H189 V197 S219 A220 T367S182-F199 PolarHBondContact N-O 2.89Å; Y187-F199 HydrophobicContact CD2-CD2 4.1Å; Y187-F199 HydrophobicContact CD2-CE2 4.23Å; Y187-F199 HydrophobicContact CE1-CD2 4.23Å; Y187-F199 AromaticContact CE2-CD2 3.52Å; Y187-F199 HydrophobicContact CE2-CD2 3.52Å; Y187-F199 HydrophobicContact CE2-CE2 4.05Å; Y187-F199 AromaticContact CZ-CD2 3.59Å; Y187-F199 PolarHBondContact OH-N 3.14Å; H189-F199 AromaticContact CD2-CE2 3.67Å; H189-F199 AromaticContact NE2-CE2 3.95Å; V197-F199 HydrophobicContact CG1-CE2 4.44Å; F199-S219 CarbonylContact C-O 3.59Å; F199-S219 WeakPolarHBondContact CA-O 3.26Å; F199-A220 HydrophobicContact CD1-CB 3.68Å; F199-A220 HydrophobicContact CE1-CB 3.78Å; F199-A220 HydrophobicContact CG-CB 4.43Å; F199-T367 HydrophobicContact CE1-CG2 4.09Å; F199-T367 HydrophobicContact CZ-CG2 4.26Å
200G93.9Very high93.5Very high12 Ų1223 Ų2312%0.12412%0.122CC..EExtended strand (participates in β ladder)trans179.6-164.1-175.300000110.4F180 S219F180-G200 CarbonylContact O-C 3.53Å; F180-G200 WeakPolarHBondContact O-CA 3.35Å; G200-S219 CarbonylContact C-O 3.51Å; G200-S219 PolarHBondContact N-O 3.28Å; G200-S219 PolarHBondContact O-N 3.21Å; G200-S219 VanDerWaalsContact O-O 3.06Å
201F95.1Very high93.2Very high17 Ų1724.4 Ų24.48%0.07512%0.122CC..EExtended strand (participates in β ladder)trans-140.6147.9-179.962.1-82.3000111.9A169 Y173 S179 F180 Q203 I216 D217 L381A169-F201 HydrophobicContact CB-CZ 4.36Å; Y173-F201 HydrophobicContact CD2-CE1 4.05Å; Y173-F201 HydrophobicContact CD2-CZ 4.16Å; Y173-F201 AromaticContact CE2-CE1 3.83Å; Y173-F201 HydrophobicContact CE2-CE1 3.83Å; Y173-F201 AromaticContact CE2-CZ 4Å; Y173-F201 HydrophobicContact CE2-CZ 4Å; S179-F201 CarbonylContact C-O 3.59Å; S179-F201 WeakPolarHBondContact CA-O 3.47Å; S179-F201 VanDerWaalsContact CB-O 3.31Å; S179-F201 WeakPolarHBondContact CB-O 3.45Å; F180-F201 HydrophobicContact CB-CD1 4.38Å; F180-F201 HydrophobicContact CB-CE1 3.9Å; F180-F201 HydrophobicContact CB-CE2 4.34Å; F180-F201 HydrophobicContact CB-CZ 3.88Å; F180-F201 HydrophobicContact CD2-CD2 4.27Å; F180-F201 AromaticContact CD2-CE2 3.62Å; F180-F201 HydrophobicContact CD2-CE2 3.62Å; F180-F201 AromaticContact CD2-CZ 3.82Å; F180-F201 HydrophobicContact CD2-CZ 3.82Å; F180-F201 HydrophobicContact CE2-CE2 4.42Å; F180-F201 HydrophobicContact CG-CE2 4.39Å; F180-F201 HydrophobicContact CG-CZ 4.17Å; F180-F201 PolarHBondContact N-O 3.05Å; F180-F201 PolarHBondContact O-N 3.12Å; F201-Q203 HydrophobicContact CD2-CB 4.27Å; F201-Q203 HydrophobicContact CE2-CB 4.21Å; F201-I216 HydrophobicContact CD2-CD1 4.5Å; F201-D217 CarbonylContact C-O 3.54Å; F201-D217 VanDerWaalsContact CA-O 3.29Å; F201-D217 WeakPolarHBondContact CA-O 3.3Å; F201-L381 HydrophobicContact CB-CD1 3.59Å; F201-L381 HydrophobicContact CB-CD2 4.22Å; F201-L381 HydrophobicContact CD1-CD1 4.04Å; F201-L381 HydrophobicContact CD2-CD2 4.48Å; F201-L381 HydrophobicContact CG-CD1 4.02Å; F201-L381 HydrophobicContact CG-CD2 4.17Å
202H96Very high93.3Very high8 Ų823.8 Ų23.84%0.03712%0.119CC..EExtended strand (participates in β ladder)trans-85.5142.6165.6171.482.4000109.9R178 S204 I216 D217 H711R178-H202 PolarHBondContact O-ND1 3.43Å; H202-S204 PolarHBondContact NE2-OG 2.65Å; H202-I216 WeakPolarHBondContact O-CA 3.47Å; H202-D217 HydrophobicContact CB-CB 4.36Å; H202-D217 PolarHBondContact N-O 2.96Å; H202-D217 PolarHBondContact O-N 3.36Å; H202-H711 HydrophobicContact CB-CB 4.31Å; H202-H711 VanDerWaalsContact CB-ND1 3.3Å; H202-H711 WeakPolarHBondContact CB-ND1 3.49Å; H202-H711 WeakPolarHBondContact CD2-CB 3.4Å; H202-H711 AromaticContact CD2-CD2 3.67Å; H202-H711 AromaticContact CD2-CG 3.28Å; H202-H711 AromaticContact CD2-ND1 3.87Å; H202-H711 AromaticContact CE1-CD2 3.37Å; H202-H711 PolarHBondContact CE1-CD2 3.1Å; H202-H711 AromaticContact CE1-CG 3.84Å; H202-H711 AromaticContact CE1-NE2 3.97Å; H202-H711 AromaticContact CG-CD2 3.39Å; H202-H711 AromaticContact CG-CE1 3.63Å; H202-H711 AromaticContact CG-CG 3.19Å; H202-H711 AromaticContact CG-ND1 3.38Å; H202-H711 AromaticContact CG-NE2 3.7Å; H202-H711 AromaticContact ND1-CD2 3.23Å; H202-H711 PolarHBondContact ND1-CD2 2.75Å; H202-H711 AromaticContact ND1-CE1 3.77Å; H202-H711 AromaticContact ND1-CG 3.6Å; H202-H711 AromaticContact ND1-ND1 3.93Å; H202-H711 AromaticContact ND1-NE2 3.4Å; H202-H711 PolarHBondContact ND1-NE2 3.32Å; H202-H711 AromaticContact NE2-CD2 3.64Å; H202-H711 AromaticContact NE2-CG 3.68Å
203Q95.4Very high93.5Very high0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-138.6124.2175-178.5-176.4-29.900111.2M165 R166 R178 F180 F201 L214 I216M165-Q203 PolarHBondContact O-NE2 2.85Å; R166-Q203 HydrophobicContact CG-CG 4.48Å; R166-Q203 PolarHBondContact NE-O 2.79Å; R166-Q203 PolarHBondContact NH2-O 2.96Å; R178-Q203 PolarHBondContact O-N 3.27Å; F180-Q203 HydrophobicContact CD2-CB 4.36Å; F180-Q203 HydrophobicContact CE2-CB 4.04Å; F201-Q203 HydrophobicContact CD2-CB 4.27Å; F201-Q203 HydrophobicContact CE2-CB 4.21Å; Q203-L214 HydrophobicContact CG-CD1 3.72Å; Q203-I216 HydrophobicContact CB-CD1 3.85Å; Q203-I216 HydrophobicContact CG-CD1 3.74Å
204S94.1Very high93.7Very high2 Ų222.1 Ų22.11%0.01410%0.099CC..EExtended strand (participates in β ladder)trans-146.1138.9169.4550000112H202 N215H202-S204 PolarHBondContact NE2-OG 2.65Å; S204-N215 PolarHBondContact N-O 2.6Å; S204-N215 VanDerWaalsContact N-O 3.12Å; S204-N215 PolarHBondContact O-N 3.43Å
205V94.7Very high93.8Very high11 Ų1122.3 Ų22.37%0.06710%0.1CC..EExtended strand (participates in β ladder)trans-86.2135.8169.4-1780000109L161 D162 M165 M212 M213 L214L161-V205 HydrophobicContact CD2-CG1 3.66Å; L161-V205 HydrophobicContact CG-CG1 3.96Å; D162-V205 HydrophobicContact CB-CB 4.27Å; D162-V205 HydrophobicContact CB-CG2 4.32Å; M165-V205 HydrophobicContact CB-CG2 4.31Å; M165-V205 HydrophobicContact CG-CG2 4.25Å; M165-V205 HydrophobicContact SD-CG2 3.38Å; M165-V205 WeakPolarHBondContact SD-CG2 3.33Å; V205-M212 HydrophobicContact CG1-CE 3.42Å; V205-M212 VanDerWaalsContact CG1-CE 3.42Å; V205-M213 CarbonylContact C-O 3.59Å; V205-M213 WeakPolarHBondContact CA-O 3.27Å; V205-L214 HydrophobicContact CG2-CD1 4.2Å
206R93.2Very high93.8Very high40 Ų4022.1 Ų22.115%0.15110%0.099CC..EExtended strand (participates in β ladder)trans-136137.3-179-60.4-172.373.192.8-5111.3Y43 M212 M213 E672Y43-R206 WeakPolarHBondContact OH-CD 3.37Å; R206-M212 VanDerWaalsContact C-CE 3.49Å; R206-M213 PolarHBondContact N-O 3.38Å; R206-M213 PolarHBondContact O-N 3.05Å; R206-E672 IonicContact CZ-OE1 3Å; R206-E672 IonicContact CZ-OE2 2.75Å; R206-E672 VanDerWaalsContact NH1-CD 3.27Å; R206-E672 IonicContact NH1-OE1 3.94Å; R206-E672 PolarHBondContact NH1-OE1 2.94Å; R206-E672 IonicContact NH1-OE2 3.76Å; R206-E672 PolarHBondContact NH1-OE2 3.43Å; R206-E672 IonicContact NH2-OE1 2.82Å; R206-E672 PolarHBondContact NH2-OE1 3.22Å; R206-E672 IonicContact NH2-OE2 3.52Å
207P93.1Very high93.8Very high29 Ų2921.2 Ų21.219%0.18810%0.095CC..EExtended strand (participates in β ladder)trans-67.5133.3164.231-33.5000108.5L146 V153 M212 P742L146-P207 HydrophobicContact CD2-CB 3.64Å; V153-P207 HydrophobicContact CG1-CB 4.12Å; V153-P207 HydrophobicContact CG1-CG 4.22Å; V153-P207 HydrophobicContact CG2-CB 4.46Å; P207-M212 HydrophobicContact CB-CE 4.4Å; P207-M212 HydrophobicContact CB-SD 4.03Å; P207-P742 HydrophobicContact CB-CG 4.08Å
208A91.4Very high93.7Very high0 Ų022.2 Ų22.20%010%0.101CC..  trans-133.2175.1172.500000109.1W210 K211 M213 S738 T740 P742A208-W210 PolarHBondContact O-N 2.8Å; A208-W210 VanDerWaalsContact O-N 3.13Å; A208-K211 CarbonylContact C-O 3.57Å; A208-K211 PolarHBondContact N-O 3.49Å; A208-K211 PolarHBondContact O-N 3.05Å; A208-K211 VanDerWaalsContact O-O 3.1Å; A208-M213 HydrophobicContact CB-CB 4.39Å; A208-M213 HydrophobicContact CB-CE 4.37Å; A208-M213 HydrophobicContact CB-CG 3.5Å; A208-M213 VanDerWaalsContact CB-CG 3.5Å; A208-S738 WeakPolarHBondContact CB-O 3.25Å; A208-T740 VanDerWaalsContact CA-O 3.31Å; A208-T740 WeakPolarHBondContact CA-O 3.49Å; A208-P742 WeakPolarHBondContact O-CG 3.48Å
209M86.1Confident93.5Very high13 Ų1323.1 Ų23.16%0.06411%0.109CC..SBendtrans-53.9124.8176-65.6-179.6179.500110.1R27 M30 K211 D736 S738 T740R27-M209 VanDerWaalsContact CZ-CE 3.42Å; R27-M209 VanDerWaalsContact NH2-CE 3.33Å; M30-M209 HydrophobicContact CE-CE 3.55Å; M30-M209 HydrophobicContact CE-SD 3.82Å; M30-M209 HydrophobicContact SD-CE 4.22Å; M209-K211 PolarHBondContact O-N 3.3Å; M209-D736 WeakPolarHBondContact CE-O 3.17Å; M209-S738 PolarHBondContact N-O 3.44Å; M209-T740 WeakPolarHBondContact CE-OG1 3.23Å; M209-T740 PolarHBondContact N-O 3.28Å
210W81.3Confident93.5Very high165 Ų16522.1 Ų22.163%0.62511%0.108SC*.SBendtrans71.2-30.1175.8-37.7109.1000116.9L146 V147 A208L146-W210 PolarHBondContact O-N 3.45Å; V147-W210 HydrophobicContact CG1-CE3 4.43Å; V147-W210 HydrophobicContact CG1-CZ3 4.46Å; V147-W210 VanDerWaalsContact O-CZ3 3.32Å; V147-W210 WeakPolarHBondContact O-CZ3 3.22Å; A208-W210 PolarHBondContact O-N 2.8Å; A208-W210 VanDerWaalsContact O-N 3.13Å
211K88.8Confident93.5Very high84 Ų8422.6 Ų22.637%0.36511%0.109SC..SBendtrans-141.5160.5-172.5-62.5-171.6-177.5-1740113.1E45 A208 M209E45-K211 HydrophobicContact CB-CD 4.47Å; E45-K211 HydrophobicContact CG-CD 4.33Å; E45-K211 WeakPolarHBondContact OE2-CD 3.48Å; E45-K211 WeakPolarHBondContact OE2-CE 3.49Å; E45-K211 IonicContact OE2-NZ 3.08Å; E45-K211 PolarHBondContact OE2-NZ 3.04Å; A208-K211 CarbonylContact C-O 3.57Å; A208-K211 PolarHBondContact N-O 3.49Å; A208-K211 PolarHBondContact O-N 3.05Å; A208-K211 VanDerWaalsContact O-O 3.1Å; M209-K211 PolarHBondContact O-N 3.3Å
212M95.4Very high93.5Very high1 Ų122 Ų221%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-77.8144.5164.6-66.5-55.6-64.600109.5V46 I48 L142 L146 V158 L161 V205 R206 P207V46-M212 HydrophobicContact CB-CB 4.07Å; V46-M212 PolarHBondContact N-O 3.16Å; I48-M212 HydrophobicContact CD1-CG 4.1Å; L142-M212 HydrophobicContact CD1-SD 4.13Å; L142-M212 HydrophobicContact CD2-CG 4.18Å; L142-M212 HydrophobicContact CD2-SD 4Å; L142-M212 HydrophobicContact CG-SD 4.27Å; L146-M212 HydrophobicContact CD1-CG 3.8Å; L146-M212 HydrophobicContact CD1-SD 3.59Å; L146-M212 VanDerWaalsContact CD1-SD 3.59Å; L146-M212 HydrophobicContact CD2-SD 4.26Å; L146-M212 HydrophobicContact CG-SD 4.5Å; V158-M212 HydrophobicContact CG1-CE 4.12Å; V158-M212 HydrophobicContact CG2-CE 4.05Å; L161-M212 HydrophobicContact CD2-CB 4.13Å; L161-M212 HydrophobicContact CD2-CE 4.08Å; L161-M212 HydrophobicContact CD2-CG 3.91Å; V205-M212 HydrophobicContact CG1-CE 3.42Å; V205-M212 VanDerWaalsContact CG1-CE 3.42Å; R206-M212 VanDerWaalsContact C-CE 3.49Å; P207-M212 HydrophobicContact CB-CE 4.4Å; P207-M212 HydrophobicContact CB-SD 4.03Å
213M96.9Very high93.6Very high10 Ų1021.6 Ų21.65%0.04911%0.105CC..EExtended strand (participates in β ladder)trans-126.3133-178.5-64-74.8-174.600110.5Y43 E45 V205 R206 A208Y43-M213 HydrophobicContact CD1-CB 3.44Å; Y43-M213 VanDerWaalsContact CD1-CB 3.44Å; Y43-M213 HydrophobicContact CD1-CG 3.81Å; Y43-M213 HydrophobicContact CE1-CB 4.15Å; Y43-M213 HydrophobicContact CG-CB 4.29Å; E45-M213 HydrophobicContact CB-SD 4.46Å; E45-M213 HydrophobicContact CG-CE 3.97Å; E45-M213 HydrophobicContact CG-SD 3.87Å; V205-M213 CarbonylContact C-O 3.59Å; V205-M213 WeakPolarHBondContact CA-O 3.27Å; R206-M213 PolarHBondContact N-O 3.38Å; R206-M213 PolarHBondContact O-N 3.05Å; A208-M213 HydrophobicContact CB-CB 4.39Å; A208-M213 HydrophobicContact CB-CE 4.37Å; A208-M213 HydrophobicContact CB-CG 3.5Å; A208-M213 VanDerWaalsContact CB-CG 3.5Å
214L97.5Very high93.6Very high0 Ų021.7 Ų21.70%011%0.105CC..EExtended strand (participates in β ladder)trans-89.2112.2168.3-177.168000108.2Y43 F44 V46 M165 Q203 V205 I216 M382 F387 V400Y43-L214 WeakPolarHBondContact CA-O 3.46Å; F44-L214 HydrophobicContact CB-CB 4.28Å; F44-L214 WeakPolarHBondContact CD2-O 3.42Å; F44-L214 PolarHBondContact N-O 2.99Å; F44-L214 PolarHBondContact O-N 2.82Å; V46-L214 HydrophobicContact CG2-CB 3.65Å; M165-L214 HydrophobicContact CE-CB 4.16Å; M165-L214 HydrophobicContact CE-CD1 3.58Å; M165-L214 HydrophobicContact CE-CD2 3.71Å; M165-L214 HydrophobicContact CE-CG 4Å; M165-L214 HydrophobicContact SD-CD1 4.1Å; Q203-L214 HydrophobicContact CG-CD1 3.72Å; V205-L214 HydrophobicContact CG2-CD1 4.2Å; L214-I216 HydrophobicContact CD1-CD1 4.15Å; L214-I216 HydrophobicContact CD2-CD1 3.96Å; L214-I216 HydrophobicContact CD2-CG1 3.91Å; L214-I216 HydrophobicContact CG-CD1 3.85Å; L214-I216 HydrophobicContact CG-CG1 3.84Å; L214-M382 HydrophobicContact CD2-CE 4.43Å; L214-F387 HydrophobicContact CD2-CD1 4.47Å; L214-F387 HydrophobicContact CD2-CD2 4.16Å; L214-F387 HydrophobicContact CD2-CE1 4.27Å; L214-F387 HydrophobicContact CD2-CE2 3.95Å; L214-F387 HydrophobicContact CD2-CG 4.42Å; L214-F387 HydrophobicContact CD2-CZ 4.01Å; L214-V400 HydrophobicContact CD2-CG1 3.85Å
215N97.6Very high93.7Very high3 Ų322.9 Ų22.92%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-92.4117.2174.2175.2-131.5000110.5N42 Y43 S204 H711N42-N215 PolarHBondContact ND2-ND2 2.81Å; N42-N215 WeakPolarHBondContact O-CA 3.42Å; N42-N215 PolarHBondContact O-ND2 2.84Å; N42-N215 PolarHBondContact OD1-ND2 2.92Å; Y43-N215 HydrophobicContact CD2-CB 4.12Å; Y43-N215 WeakPolarHBondContact CD2-ND2 3.46Å; Y43-N215 HydrophobicContact CE2-CB 3.84Å; Y43-N215 VanDerWaalsContact CE2-ND2 3.3Å; Y43-N215 WeakPolarHBondContact CE2-ND2 3.41Å; S204-N215 PolarHBondContact N-O 2.6Å; S204-N215 VanDerWaalsContact N-O 3.12Å; S204-N215 PolarHBondContact O-N 3.43Å; N215-H711 PolarHBondContact ND2-O 3.05Å; N215-H711 VanDerWaalsContact OD1-CB 3.31Å; N215-H711 WeakPolarHBondContact OD1-CB 3.45Å
216I97.6Very high93.8Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-120130.9-179.1-60.8-63.3000110.3N42 F44 F201 H202 Q203 L214 I378 L381 M382 F387N42-I216 VanDerWaalsContact CB-O 3.31Å; N42-I216 WeakPolarHBondContact CB-O 3.24Å; N42-I216 PolarHBondContact ND2-O 3.49Å; N42-I216 PolarHBondContact O-N 2.97Å; F44-I216 HydrophobicContact CD2-CB 4.2Å; F44-I216 HydrophobicContact CD2-CG1 4.15Å; F44-I216 HydrophobicContact CE2-CB 3.94Å; F44-I216 HydrophobicContact CE2-CG1 4.36Å; F201-I216 HydrophobicContact CD2-CD1 4.5Å; H202-I216 WeakPolarHBondContact O-CA 3.47Å; Q203-I216 HydrophobicContact CB-CD1 3.85Å; Q203-I216 HydrophobicContact CG-CD1 3.74Å; L214-I216 HydrophobicContact CD1-CD1 4.15Å; L214-I216 HydrophobicContact CD2-CD1 3.96Å; L214-I216 HydrophobicContact CD2-CG1 3.91Å; L214-I216 HydrophobicContact CG-CD1 3.85Å; L214-I216 HydrophobicContact CG-CG1 3.84Å; I216-I378 HydrophobicContact CG2-CG2 4.34Å; I216-L381 HydrophobicContact CG2-CD2 3.69Å; I216-M382 HydrophobicContact CB-SD 4.19Å; I216-M382 HydrophobicContact CG1-SD 3.68Å; I216-M382 HydrophobicContact CG2-SD 4.3Å; I216-F387 HydrophobicContact CD1-CE2 4.43Å; I216-F387 HydrophobicContact CD1-CZ 4.06Å
217D96.8Very high94Very high1 Ų124 Ų241%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-142136.9176.5-172.818.4000110.3F201 H202 R374 H711 R713F201-D217 CarbonylContact C-O 3.54Å; F201-D217 VanDerWaalsContact CA-O 3.29Å; F201-D217 WeakPolarHBondContact CA-O 3.3Å; H202-D217 HydrophobicContact CB-CB 4.36Å; H202-D217 PolarHBondContact N-O 2.96Å; H202-D217 PolarHBondContact O-N 3.36Å; D217-R374 IonicContact OD1-CZ 3.16Å; D217-R374 IonicContact OD1-NE 2.79Å; D217-R374 PolarHBondContact OD1-NE 3.31Å; D217-R374 IonicContact OD1-NH2 3.3Å; D217-R374 PolarHBondContact OD1-NH2 3.04Å; D217-R374 IonicContact OD2-CZ 2.75Å; D217-R374 IonicContact OD2-NH2 3.62Å; D217-R374 PolarHBondContact OD2-NH2 3.15Å; D217-H711 HydrophobicContact CB-CB 4Å; D217-H711 IonicContact OD2-ND1 3.27Å; D217-R713 IonicContact OD2-CZ 4Å; D217-R713 VanDerWaalsContact OD2-CZ 3.32Å; D217-R713 IonicContact OD2-NE 3.22Å; D217-R713 PolarHBondContact OD2-NE 3.4Å; D217-R713 IonicContact OD2-NH2 3.68Å; D217-R713 PolarHBondContact OD2-NH2 2.9Å
218V94.3Very high94.2Very high21 Ų2125 Ų2513%0.12713%0.134CC..EExtended strand (participates in β ladder)trans-66138.7171-65.90000110.4R374 E377 I378 L381V218-R374 HydrophobicContact CG2-CG 3.63Å; V218-R374 PolarHBondContact O-NH2 3.16Å; V218-E377 HydrophobicContact CG1-CB 4.1Å; V218-I378 HydrophobicContact CG1-CG1 4.01Å; V218-I378 HydrophobicContact CG2-CG1 4.24Å; V218-L381 HydrophobicContact CG1-CD1 4.22Å
219S91.5Very high94.5Very high27 Ų2725 Ų2519%0.18913%0.134CC..EExtended strand (participates in β ladder)trans-138.8152.9-176.3-176.40000110.6F199 G200F199-S219 CarbonylContact C-O 3.59Å; F199-S219 WeakPolarHBondContact CA-O 3.26Å; G200-S219 CarbonylContact C-O 3.51Å; G200-S219 PolarHBondContact N-O 3.28Å; G200-S219 PolarHBondContact O-N 3.21Å; G200-S219 VanDerWaalsContact O-O 3.06Å
220A92.6Very high95Very high21 Ų2125.2 Ų25.217%0.17414%0.135CC..EExtended strand (participates in β ladder)trans-137.5141.7174.400000109.9V197 W198 F199 M363 T367V197-A220 HydrophobicContact CG1-CB 3.87Å; W198-A220 VanDerWaalsContact O-CA 3.29Å; W198-A220 WeakPolarHBondContact O-CA 3.08Å; F199-A220 HydrophobicContact CD1-CB 3.68Å; F199-A220 HydrophobicContact CE1-CB 3.78Å; F199-A220 HydrophobicContact CG-CB 4.43Å; A220-M363 WeakPolarHBondContact O-CE 3.34Å; A220-T367 HydrophobicContact CB-CG2 3.36Å
221T94.6Very high95.7Very high22 Ų2222.1 Ų22.114%0.13513%0.128CC..EExtended strand (participates in β ladder)trans-146.2161177.6-154.40000111.3F181 W198 F223F181-T221 HydrophobicContact CD1-CG2 3.96Å; F181-T221 HydrophobicContact CD2-CG2 4.24Å; F181-T221 HydrophobicContact CE1-CG2 3.62Å; F181-T221 HydrophobicContact CE2-CG2 3.9Å; F181-T221 HydrophobicContact CG-CG2 4.26Å; F181-T221 HydrophobicContact CZ-CG2 3.58Å; W198-T221 PolarHBondContact N-O 3.5Å; W198-T221 PolarHBondContact O-N 3.37Å; T221-F223 HydrophobicContact CG2-CD2 3.78Å; T221-F223 HydrophobicContact CG2-CE2 3.3Å; T221-F223 HydrophobicContact CG2-CZ 4.24Å
222A95.4Very high96.1Very high4 Ų418.1 Ų18.13%0.03311%0.11CC..EExtended strand (participates in β ladder)trans-81.5132.2-178.900000110.9L191 E196 C351 L355L191-A222 HydrophobicContact CD1-CB 3.81Å; E196-A222 CarbonylContact O-C 3.56Å; E196-A222 WeakPolarHBondContact O-CA 3.35Å; A222-C351 HydrophobicContact CB-CB 3.91Å; A222-C351 WeakPolarHBondContact O-CB 3.48Å; A222-C351 PolarHBondContact O-N 3.02Å; A222-L355 HydrophobicContact CB-CD1 4.29Å; A222-L355 HydrophobicContact CB-CD2 3.95Å
223F96.9Very high96.1Very high0 Ų018.1 Ų18.10%011%0.11CC..EExtended strand (participates in β ladder)trans-119.7156.6171.2-81.3-101.3000109.9T174 V176 F181 R195 E196 W198 T221 Q349 R350T174-F223 HydrophobicContact CG2-CE1 4.11Å; T174-F223 HydrophobicContact CG2-CZ 4.3Å; V176-F223 HydrophobicContact CG2-CZ 4.16Å; F181-F223 HydrophobicContact CB-CE2 3.83Å; F181-F223 HydrophobicContact CB-CZ 3.84Å; F181-F223 HydrophobicContact CD1-CE2 4.22Å; F181-F223 HydrophobicContact CD2-CE2 4.36Å; F181-F223 HydrophobicContact CD2-CZ 4.38Å; F181-F223 AromaticContact CG-CE2 3.88Å; F181-F223 HydrophobicContact CG-CE2 3.88Å; F181-F223 HydrophobicContact CG-CZ 4.15Å; R195-F223 CarbonylContact C-O 3.47Å; R195-F223 VanDerWaalsContact CA-O 3.29Å; R195-F223 WeakPolarHBondContact CA-O 3.44Å; E196-F223 PolarHBondContact N-O 3.46Å; E196-F223 PolarHBondContact O-N 3.31Å; W198-F223 HydrophobicContact CB-CD2 3.46Å; W198-F223 VanDerWaalsContact CB-CD2 3.46Å; W198-F223 HydrophobicContact CB-CE2 3.74Å; W198-F223 HydrophobicContact CB-CG 4.28Å; W198-F223 HydrophobicContact CD2-CB 3.95Å; W198-F223 AromaticContact CD2-CD1 3.91Å; W198-F223 HydrophobicContact CD2-CD1 3.91Å; W198-F223 AromaticContact CD2-CD2 3.6Å; W198-F223 HydrophobicContact CD2-CD2 3.6Å; W198-F223 HydrophobicContact CD2-CE1 4.31Å; W198-F223 AromaticContact CD2-CE2 3.97Å; W198-F223 HydrophobicContact CD2-CE2 3.97Å; W198-F223 AromaticContact CD2-CG 3.55Å; W198-F223 HydrophobicContact CD2-CG 3.55Å; W198-F223 HydrophobicContact CD2-CZ 4.33Å; W198-F223 AromaticContact CE2-CG 3.91Å; W198-F223 AromaticContact CE3-CD1 3.85Å; W198-F223 HydrophobicContact CE3-CD1 3.85Å; W198-F223 AromaticContact CE3-CD2 3.91Å; W198-F223 HydrophobicContact CE3-CD2 3.91Å; W198-F223 AromaticContact CE3-CE1 3.8Å; W198-F223 HydrophobicContact CE3-CE1 3.8Å; W198-F223 AromaticContact CE3-CE2 3.8Å; W198-F223 HydrophobicContact CE3-CE2 3.8Å; W198-F223 AromaticContact CE3-CG 3.92Å; W198-F223 HydrophobicContact CE3-CG 3.92Å; W198-F223 AromaticContact CE3-CZ 3.77Å; W198-F223 HydrophobicContact CE3-CZ 3.77Å; W198-F223 HydrophobicContact CG-CB 3.9Å; W198-F223 AromaticContact CG-CD2 3.39Å; W198-F223 HydrophobicContact CG-CD2 3.39Å; W198-F223 AromaticContact CG-CE2 3.97Å; W198-F223 HydrophobicContact CG-CE2 3.97Å; W198-F223 AromaticContact CG-CG 3.7Å; W198-F223 HydrophobicContact CG-CG 3.7Å; W198-F223 HydrophobicContact CH2-CD1 4.43Å; W198-F223 HydrophobicContact CZ2-CD1 4.46Å; W198-F223 HydrophobicContact CZ3-CD1 4.13Å; W198-F223 HydrophobicContact CZ3-CE1 4.02Å; W198-F223 HydrophobicContact CZ3-CZ 4.34Å; T221-F223 HydrophobicContact CG2-CD2 3.78Å; T221-F223 HydrophobicContact CG2-CE2 3.3Å; T221-F223 HydrophobicContact CG2-CZ 4.24Å; F223-Q349 WeakPolarHBondContact CA-O 3.32Å; F223-Q349 VanDerWaalsContact CD1-C 3.41Å; F223-Q349 WeakPolarHBondContact CD1-O 3.4Å; F223-R350 HydrophobicContact CD1-CB 4.4Å; F223-R350 HydrophobicContact CE1-CB 4.07Å; F223-R350 HydrophobicContact CZ-CB 4.29Å
224Y96.6Very high96Very high2 Ų218.5 Ų18.51%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-77.8134.2167.2-68.6-77.4000109.4G194 R195 F232 L264 Q349 C351G194-Y224 WeakPolarHBondContact O-CA 3.28Å; R195-Y224 HydrophobicContact CG-CD1 4.1Å; R195-Y224 HydrophobicContact CG-CE1 4.13Å; Y224-F232 AromaticContact CD1-CE2 3.8Å; Y224-F232 HydrophobicContact CD1-CE2 3.8Å; Y224-F232 HydrophobicContact CD1-CZ 4.39Å; Y224-F232 HydrophobicContact CE1-CE2 4.09Å; Y224-F232 HydrophobicContact CE1-CZ 4.28Å; Y224-L264 HydrophobicContact CD1-CD1 3.94Å; Y224-L264 HydrophobicContact CD2-CD1 4.28Å; Y224-L264 HydrophobicContact CD2-CD2 3.67Å; Y224-L264 HydrophobicContact CE1-CD1 3.84Å; Y224-L264 HydrophobicContact CE1-CD2 4.37Å; Y224-L264 HydrophobicContact CE2-CD1 4.21Å; Y224-L264 HydrophobicContact CE2-CD2 3.29Å; Y224-L264 HydrophobicContact CE2-CG 4.39Å; Y224-L264 HydrophobicContact CG-CD1 4.14Å; Y224-L264 HydrophobicContact CG-CD2 4.35Å; Y224-Q349 HydrophobicContact CD2-CB 4.25Å; Y224-Q349 WeakPolarHBondContact CD2-O 3.47Å; Y224-Q349 PolarHBondContact N-O 2.82Å; Y224-C351 HydrophobicContact CD2-CB 4.32Å; Y224-C351 HydrophobicContact CE2-CB 3.94Å
225K96.5Very high95.9Very high27 Ų2721.1 Ų21.112%0.11713%0.126CC..  trans-61.3139.2176.4-66.1173.472.3-150.70109.6Y188 G194 E196 Q227 E235 I345Y188-K225 VanDerWaalsContact OH-CE 3.26Å; Y188-K225 WeakPolarHBondContact OH-CE 3.42Å; Y188-K225 PolarHBondContact OH-NZ 3Å; G194-K225 PolarHBondContact O-N 2.88Å; E196-K225 HydrophobicContact CB-CG 3.91Å; E196-K225 HydrophobicContact CG-CG 3.83Å; K225-Q227 HydrophobicContact CB-CB 4.49Å; K225-Q227 HydrophobicContact CB-CG 4.13Å; K225-Q227 VanDerWaalsContact CE-OE1 3.27Å; K225-Q227 PolarHBondContact O-N 2.91Å; K225-E235 IonicContact NZ-OE1 3.15Å; K225-E235 PolarHBondContact NZ-OE1 3.27Å; K225-I345 WeakPolarHBondContact O-CB 3.38Å; K225-I345 WeakPolarHBondContact O-CG2 3.47Å
226A95.9Very high95.7Very high65 Ų6521.3 Ų21.354%0.53713%0.127SC..  trans-7998168.800000108.7I345 A347A226-I345 WeakPolarHBondContact CA-O 3.48Å; A226-A347 HydrophobicContact CB-CB 3.74Å
227Q96.3Very high95.5Very high9 Ų922.1 Ų22.14%0.04213%0.132CC..  trans-152.9163.6-172.368.9-173.74.900112K225 F232 E235 N344 I345K225-Q227 HydrophobicContact CB-CB 4.49Å; K225-Q227 HydrophobicContact CB-CG 4.13Å; K225-Q227 VanDerWaalsContact CE-OE1 3.27Å; K225-Q227 PolarHBondContact O-N 2.91Å; Q227-F232 HydrophobicContact CG-CB 4.25Å; Q227-E235 PolarHBondContact NE2-OE1 2.94Å; Q227-E235 PolarHBondContact OE1-OE1 3.38Å; Q227-E235 VanDerWaalsContact OE1-OE1 3.12Å; Q227-N344 CarbonylContact O-C 3.48Å; Q227-N344 WeakPolarHBondContact O-CA 3.38Å; Q227-I345 PolarHBondContact O-N 3.46Å
228P97.7Very high95.2Very high49 Ų4928.7 Ų28.732%0.31817%0.167SC..BIsolated β-bridgetrans-53.3141.9171.5-26.235.6000112.5I230 E231 F232 N344P228-I230 PolarHBondContact O-N 2.97Å; P228-E231 HydrophobicContact CB-CG 4.32Å; P228-E231 HydrophobicContact CG-CG 4.42Å; P228-E231 PolarHBondContact O-N 3.16Å; P228-E231 VanDerWaalsContact O-N 3.15Å; P228-F232 PolarHBondContact O-N 3.2Å; P228-N344 WeakPolarHBondContact CA-OD1 3.03Å
229V97.9Very high95Very high0 Ų028.7 Ų28.70%017%0.166CC..Hα-helixtrans-63-29.5179168.70000111.6F232 M233 F257 I261 V266 L327 L340 C343 I345V229-F232 PolarHBondContact O-N 2.72Å; V229-M233 WeakPolarHBondContact O-CB 3.35Å; V229-M233 PolarHBondContact O-N 3.48Å; V229-F257 HydrophobicContact CG1-CZ 3.97Å; V229-I261 HydrophobicContact CG1-CD1 3.65Å; V229-I261 HydrophobicContact CG2-CD1 4.21Å; V229-V266 HydrophobicContact CG2-CG1 3.87Å; V229-L327 HydrophobicContact CG1-CD1 4.23Å; V229-L327 HydrophobicContact CG2-CD1 4.25Å; V229-L340 HydrophobicContact CG1-CB 4.1Å; V229-L340 HydrophobicContact CG1-CD2 3.87Å; V229-L340 HydrophobicContact CG1-CG 4.45Å; V229-C343 HydrophobicContact CB-CB 4.11Å; V229-C343 WeakPolarHBondContact CB-O 3.31Å; V229-C343 HydrophobicContact CG2-CB 3.56Å; V229-C343 WeakPolarHBondContact CG2-O 3.47Å; V229-C343 PolarHBondContact N-O 3.45Å; V229-I345 HydrophobicContact CG2-CD1 3.97Å; V229-I345 HydrophobicContact CG2-CG1 4.33Å
230I96.3Very high94.7Very high18 Ų1839.1 Ų39.19%0.09220%0.201CC..Hα-helixtrans-59.3-51.7172.7-63.1-68000110.8P228 F232 M233 C234 I242 Y321 L324 L340 E341P228-I230 PolarHBondContact O-N 2.97Å; I230-F232 VanDerWaalsContact C-N 3.33Å; I230-F232 PolarHBondContact O-N 2.94Å; I230-M233 WeakPolarHBondContact O-CB 3.48Å; I230-M233 PolarHBondContact O-N 3.49Å; I230-M233 VanDerWaalsContact O-N 3.16Å; I230-C234 PolarHBondContact O-N 3.06Å; I230-C234 PolarHBondContact O-SG 2.93Å; I230-C234 VanDerWaalsContact O-SG 3.38Å; I230-I242 HydrophobicContact CG2-CG1 4.48Å; I230-I242 HydrophobicContact CG2-CG2 4.17Å; I230-Y321 HydrophobicContact CD1-CD2 4.11Å; I230-Y321 HydrophobicContact CG1-CD2 4.48Å; I230-L324 HydrophobicContact CD1-CD1 3.58Å; I230-L340 HydrophobicContact CD1-CB 3.52Å; I230-L340 HydrophobicContact CD1-CD1 4.27Å; I230-L340 HydrophobicContact CG1-CB 4.23Å; I230-E341 HydrophobicContact CG1-CB 4.24Å
231E95.9Very high94.2Very high101 Ų10140.9 Ų40.947%0.47221%0.207SC..Hα-helixtrans-62.6-40.3177.4-68-178.5-173.200112P228 M233 C234 E235P228-E231 HydrophobicContact CB-CG 4.32Å; P228-E231 HydrophobicContact CG-CG 4.42Å; P228-E231 PolarHBondContact O-N 3.16Å; P228-E231 VanDerWaalsContact O-N 3.15Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 3.19Å; E231-C234 WeakPolarHBondContact O-CB 3.46Å; E231-C234 PolarHBondContact O-N 2.98Å; E231-E235 PolarHBondContact O-N 3Å
232F97.2Very high93.6Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-59.1-43.5174.1177.8-93.5000112.1Y224 Q227 P228 V229 I230 E235 V236 F257 E260 I261 L264 I345Y224-F232 AromaticContact CD1-CE2 3.8Å; Y224-F232 HydrophobicContact CD1-CE2 3.8Å; Y224-F232 HydrophobicContact CD1-CZ 4.39Å; Y224-F232 HydrophobicContact CE1-CE2 4.09Å; Y224-F232 HydrophobicContact CE1-CZ 4.28Å; Q227-F232 HydrophobicContact CG-CB 4.25Å; P228-F232 PolarHBondContact O-N 3.2Å; V229-F232 PolarHBondContact O-N 2.72Å; I230-F232 VanDerWaalsContact C-N 3.33Å; I230-F232 PolarHBondContact O-N 2.94Å; F232-E235 PolarHBondContact O-N 3.25Å; F232-V236 HydrophobicContact CD1-CG2 4.31Å; F232-V236 HydrophobicContact CE1-CG2 3.82Å; F232-V236 HydrophobicContact CE2-CG2 4.2Å; F232-V236 HydrophobicContact CZ-CG2 3.76Å; F232-V236 WeakPolarHBondContact O-CB 3.31Å; F232-V236 VanDerWaalsContact O-CG2 3.29Å; F232-V236 WeakPolarHBondContact O-CG2 3.36Å; F232-V236 PolarHBondContact O-N 3.25Å; F232-F257 AromaticContact CD1-CE2 3.94Å; F232-F257 HydrophobicContact CD1-CE2 3.94Å; F232-F257 HydrophobicContact CE1-CE2 4.19Å; F232-E260 HydrophobicContact CE1-CB 4.36Å; F232-E260 HydrophobicContact CZ-CB 4.22Å; F232-I261 HydrophobicContact CD1-CD1 4.26Å; F232-I261 HydrophobicContact CE1-CB 4Å; F232-I261 HydrophobicContact CE1-CD1 4.4Å; F232-I261 HydrophobicContact CE1-CG1 4.27Å; F232-L264 HydrophobicContact CE2-CD1 4.41Å; F232-L264 HydrophobicContact CZ-CD1 4.01Å; F232-I345 HydrophobicContact CB-CD1 4.5Å; F232-I345 HydrophobicContact CB-CG1 4.1Å; F232-I345 HydrophobicContact CD1-CD1 4.33Å; F232-I345 HydrophobicContact CD2-CD1 4.42Å; F232-I345 HydrophobicContact CD2-CG1 4.22Å; F232-I345 HydrophobicContact CG-CD1 4.15Å; F232-I345 HydrophobicContact CG-CG1 4.1Å
233M96.2Very high93Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-61.8-45.5175-177.7-170.770.400111.1V229 I230 E231 E235 V236 L237 I242 L249 F257 L324 L340V229-M233 WeakPolarHBondContact O-CB 3.35Å; V229-M233 PolarHBondContact O-N 3.48Å; I230-M233 WeakPolarHBondContact O-CB 3.48Å; I230-M233 PolarHBondContact O-N 3.49Å; I230-M233 VanDerWaalsContact O-N 3.16Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 3.19Å; M233-E235 PolarHBondContact O-N 3.4Å; M233-V236 PolarHBondContact O-N 3.42Å; M233-L237 HydrophobicContact CG-CD1 3.71Å; M233-L237 HydrophobicContact CG-CG 4.26Å; M233-L237 WeakPolarHBondContact O-CB 3.33Å; M233-L237 WeakPolarHBondContact O-CG 3.37Å; M233-L237 PolarHBondContact O-N 3.37Å; M233-L237 HydrophobicContact SD-CD1 4.36Å; M233-I242 HydrophobicContact CE-CD1 3.59Å; M233-I242 HydrophobicContact CE-CG1 4.47Å; M233-L249 HydrophobicContact SD-CD1 3.87Å; M233-L249 HydrophobicContact SD-CD2 4.24Å; M233-F257 HydrophobicContact CB-CD2 3.93Å; M233-F257 HydrophobicContact CB-CE2 3.64Å; M233-F257 HydrophobicContact CB-CZ 4.22Å; M233-F257 HydrophobicContact CG-CD2 3.83Å; M233-F257 HydrophobicContact CG-CE2 3.96Å; M233-F257 HydrophobicContact CG-CG 4.18Å; M233-F257 HydrophobicContact CG-CZ 4.43Å; M233-L324 HydrophobicContact CE-CD1 3.85Å; M233-L324 HydrophobicContact CE-CD2 4.15Å; M233-L324 HydrophobicContact SD-CD2 4.43Å; M233-L340 HydrophobicContact SD-CD1 3.77Å
234C94.5Very high91.7Very high19 Ų1952.3 Ų52.313%0.12826%0.262CS..Hα-helixtrans-57.9-47.6177.6-71.40000111.9I230 E231 V236 L237 D238 I239I230-C234 PolarHBondContact O-N 3.06Å; I230-C234 PolarHBondContact O-SG 2.93Å; I230-C234 VanDerWaalsContact O-SG 3.38Å; E231-C234 WeakPolarHBondContact O-CB 3.46Å; E231-C234 PolarHBondContact O-N 2.98Å; C234-V236 VanDerWaalsContact C-N 3.33Å; C234-V236 PolarHBondContact O-N 2.93Å; C234-L237 PolarHBondContact O-N 3Å; C234-D238 WeakPolarHBondContact O-CA 3.3Å; C234-D238 PolarHBondContact O-N 2.71Å; C234-I239 HydrophobicContact CB-CB 4.34Å; C234-I239 WeakPolarHBondContact CB-O 3.37Å; C234-I239 PolarHBondContact O-N 2.96Å
235E94.9Very high90Very high54 Ų5457.3 Ų57.325%0.25229%0.286SS..Hα-helixtrans-63.1-36176.3-74.8-165.5-133.600113.3G193 G194 K225 Q227 E231 F232 M233G193-E235 PolarHBondContact N-OE2 3.35Å; G194-E235 VanDerWaalsContact CA-OE2 3.28Å; G194-E235 WeakPolarHBondContact CA-OE2 3.38Å; G194-E235 PolarHBondContact N-OE2 3.36Å; K225-E235 IonicContact NZ-OE1 3.15Å; K225-E235 PolarHBondContact NZ-OE1 3.27Å; Q227-E235 PolarHBondContact NE2-OE1 2.94Å; Q227-E235 PolarHBondContact OE1-OE1 3.38Å; Q227-E235 VanDerWaalsContact OE1-OE1 3.12Å; E231-E235 PolarHBondContact O-N 3Å; F232-E235 PolarHBondContact O-N 3.25Å; M233-E235 PolarHBondContact O-N 3.4Å
236V94.3Very high88.7Confident7 Ų760.4 Ų60.44%0.04231%0.309CS..Hα-helixtrans-72.3-39.1-180165.40000111.8F232 M233 C234 R256 E260F232-V236 HydrophobicContact CD1-CG2 4.31Å; F232-V236 HydrophobicContact CE1-CG2 3.82Å; F232-V236 HydrophobicContact CE2-CG2 4.2Å; F232-V236 HydrophobicContact CZ-CG2 3.76Å; F232-V236 WeakPolarHBondContact O-CB 3.31Å; F232-V236 VanDerWaalsContact O-CG2 3.29Å; F232-V236 WeakPolarHBondContact O-CG2 3.36Å; F232-V236 PolarHBondContact O-N 3.25Å; M233-V236 PolarHBondContact O-N 3.42Å; C234-V236 VanDerWaalsContact C-N 3.33Å; C234-V236 PolarHBondContact O-N 2.93Å; V236-R256 HydrophobicContact CG1-CG 4.36Å; V236-R256 VanDerWaalsContact O-CZ 3.23Å; V236-R256 PolarHBondContact O-NE 2.81Å; V236-R256 VanDerWaalsContact O-NE 3.13Å; V236-R256 PolarHBondContact O-NH2 3.16Å; V236-E260 HydrophobicContact CG1-CB 4.01Å; V236-E260 HydrophobicContact CG1-CG 3.74Å; V236-E260 HydrophobicContact CG2-CB 4.05Å; V236-E260 HydrophobicContact CG2-CG 4.15Å
237L93Very high88Confident18 Ų1865.1 Ų65.19%0.09432%0.317CS..Hα-helixtrans-93.5-2.7-176-61.2-175.8000113.7M233 C234 I239 L249 Q253 R256 F257M233-L237 HydrophobicContact CG-CD1 3.71Å; M233-L237 HydrophobicContact CG-CG 4.26Å; M233-L237 WeakPolarHBondContact O-CB 3.33Å; M233-L237 WeakPolarHBondContact O-CG 3.37Å; M233-L237 PolarHBondContact O-N 3.37Å; M233-L237 HydrophobicContact SD-CD1 4.36Å; C234-L237 PolarHBondContact O-N 3Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 HydrophobicContact CB-CD1 3.78Å; L237-I239 HydrophobicContact CB-CG1 3.86Å; L237-I239 HydrophobicContact CD1-CD1 3.96Å; L237-L249 HydrophobicContact CD1-CD1 4.28Å; L237-L249 HydrophobicContact CD1-CD2 3.86Å; L237-Q253 HydrophobicContact CD1-CB 4.09Å; L237-Q253 HydrophobicContact CD1-CG 4.47Å; L237-Q253 HydrophobicContact CD2-CB 4.14Å; L237-Q253 HydrophobicContact CD2-CG 4.38Å; L237-Q253 WeakPolarHBondContact CD2-O 3.45Å; L237-R256 HydrophobicContact CD2-CB 4.18Å; L237-R256 HydrophobicContact CD2-CG 4.17Å; L237-F257 HydrophobicContact CD2-CB 4.34Å
238D90.9Very high87.5Confident138 Ų13869 Ų6974%0.73834%0.342SS*.THydrogen-bonded Turntrans6039.5-176.9-155.626.9000112.5C234C234-D238 WeakPolarHBondContact O-CA 3.3Å; C234-D238 PolarHBondContact O-N 2.71Å
239I89.6Confident87.1Confident21 Ų2167.7 Ų67.711%0.10833%0.332CS..  trans-92.4120.7176.3-60.2170.2000107.7C234 L237 N241C234-I239 HydrophobicContact CB-CB 4.34Å; C234-I239 WeakPolarHBondContact CB-O 3.37Å; C234-I239 PolarHBondContact O-N 2.96Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 HydrophobicContact CB-CD1 3.78Å; L237-I239 HydrophobicContact CB-CG1 3.86Å; L237-I239 HydrophobicContact CD1-CD1 3.96Å; I239-N241 WeakPolarHBondContact CG2-O 3.19Å
240R85.3Confident86.9Confident246 Ų24671.4 Ų71.493%0.92836%0.355SS*.SBendtrans-73.6-44.9-179.4-67.7-176.7-179.4176.4-0.1112.7
241N81.9Confident86.6Confident58 Ų5874.1 Ų74.131%0.3137%0.369SS..  trans-139123.1-178.8-171.1-7.3000109I239 D243 E244I239-N241 WeakPolarHBondContact CG2-O 3.19Å; N241-D243 VanDerWaalsContact C-N 3.31Å; N241-D243 PolarHBondContact OD1-N 3.47Å; N241-E244 HydrophobicContact CB-CB 4.23Å; N241-E244 HydrophobicContact CB-CG 4.01Å; N241-E244 PolarHBondContact ND2-OE1 2.56Å
242I82.7Confident86.3Confident15 Ų1573.4 Ų73.48%0.07738%0.375CS..SBendtrans-72.9-28.4179.5-168.762.2000111.6I230 M233 E244 Q245 Y321 L324I230-I242 HydrophobicContact CG2-CG1 4.48Å; I230-I242 HydrophobicContact CG2-CG2 4.17Å; M233-I242 HydrophobicContact CE-CD1 3.59Å; M233-I242 HydrophobicContact CE-CG1 4.47Å; I242-E244 VanDerWaalsContact C-N 3.26Å; I242-E244 PolarHBondContact O-N 3.02Å; I242-Q245 PolarHBondContact O-N 3.23Å; I242-Y321 HydrophobicContact CG1-CD1 4.23Å; I242-Y321 HydrophobicContact CG1-CE1 4.1Å; I242-Y321 HydrophobicContact CG2-CE1 3.76Å; I242-L324 HydrophobicContact CD1-CD1 4.36Å; I242-L324 HydrophobicContact CG1-CD1 4.48Å
243D81.9Confident86.1Confident106 Ų10676 Ų7657%0.56739%0.387SS*.THydrogen-bonded Turntrans-74.3-19.5-177.2-58.8-33.4000112N241 Q245 Y321N241-D243 VanDerWaalsContact C-N 3.31Å; N241-D243 PolarHBondContact OD1-N 3.47Å; D243-Q245 VanDerWaalsContact C-N 3.34Å; D243-Y321 VanDerWaalsContact OD1-CE1 3.22Å; D243-Y321 WeakPolarHBondContact OD1-CE1 3.33Å; D243-Y321 PolarHBondContact OD1-OH 2.8Å
244E70.7Confident86Confident145 Ų14577.7 Ų77.768%0.67839%0.394SS*.THydrogen-bonded Turntrans-81.6-9.3175.4-73.7169.3-150.300113.4N241 I242N241-E244 HydrophobicContact CB-CB 4.23Å; N241-E244 HydrophobicContact CB-CG 4.01Å; N241-E244 PolarHBondContact ND2-OE1 2.56Å; I242-E244 VanDerWaalsContact C-N 3.26Å; I242-E244 PolarHBondContact O-N 3.02Å
245Q60.8Low85.9Confident107 Ų10780 Ų8050%0.541%0.407SS..  trans-133.775.9178.9-89.3-174.2-4.900112.2I242 D243 K247I242-Q245 PolarHBondContact O-N 3.23Å; D243-Q245 VanDerWaalsContact C-N 3.34Å; Q245-K247 PolarHBondContact O-N 3.35Å
246P69.3Low85.8Confident92 Ų9284.1 Ų84.160%0.59742%0.42SS*.  trans-78.345.3178.134.5-36.8000112.3
247K80.5Confident85.9Confident165 Ų16583.8 Ų83.872%0.71742%0.418SS*.SBendtrans-114.6151.2-179.9-65.5-173.5-177.5-179.30110.6Q245 H323Q245-K247 PolarHBondContact O-N 3.35Å; K247-H323 PolarHBondContact O-CD2 2.58Å
248T86.2Confident86Confident90 Ų9083.9 Ų83.955%0.55242%0.42SS*.PPolyproline II helixtrans-59.1144.3170.753.90000110.4T250 H323T248-T250 PolarHBondContact O-N 3.21Å; T248-H323 WeakPolarHBondContact CG2-O 3.33Å
249L90.3Very high86Confident22 Ų2282.9 Ų82.912%0.11541%0.409CS..PPolyproline II helixtrans-60136.2173.5-59.3-178000110.7M233 L237 Q253 R254 L324 P325M233-L249 HydrophobicContact SD-CD1 3.87Å; M233-L249 HydrophobicContact SD-CD2 4.24Å; L237-L249 HydrophobicContact CD1-CD1 4.28Å; L237-L249 HydrophobicContact CD1-CD2 3.86Å; L249-Q253 HydrophobicContact CB-CB 4.2Å; L249-Q253 HydrophobicContact CD2-CB 4.49Å; L249-R254 HydrophobicContact CB-CB 4.41Å; L249-L324 HydrophobicContact CD2-CD2 4.3Å; L249-L324 HydrophobicContact CG-CD2 4.26Å; L249-P325 HydrophobicContact CD1-CG 4.03Å
250T92.2Very high86.2Confident78 Ų7884 Ų8448%0.47941%0.414SS..PPolyproline II helixtrans-60.9157.5167.261.40000110.5T248 S252 Q253 R254T248-T250 PolarHBondContact O-N 3.21Å; T250-S252 PolarHBondContact O-N 3.43Å; T250-Q253 PolarHBondContact O-N 3.45Å; T250-Q253 VanDerWaalsContact O-N 3.14Å; T250-Q253 WeakPolarHBondContact OG1-CB 3.45Å; T250-Q253 VanDerWaalsContact OG1-CG 3.28Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.5Å; T250-Q253 PolarHBondContact OG1-N 2.8Å; T250-Q253 PolarHBondContact OG1-OE1 3.18Å; T250-R254 PolarHBondContact O-N 2.78Å
251D90.6Very high86.7Confident75 Ų7572.3 Ų72.340%0.40137%0.37SS..Hα-helixtrans-57.3-38178.2-82-24.7000111.8R254 V255 R285D251-R254 PolarHBondContact O-N 2.89Å; D251-R254 IonicContact OD1-CZ 3.44Å; D251-R254 IonicContact OD1-NH1 2.71Å; D251-R254 PolarHBondContact OD1-NH1 3.26Å; D251-R254 IonicContact OD1-NH2 3.49Å; D251-R254 PolarHBondContact OD1-NH2 3.33Å; D251-V255 WeakPolarHBondContact O-CB 3.48Å; D251-V255 VanDerWaalsContact O-CG2 3.24Å; D251-V255 WeakPolarHBondContact O-CG2 3.47Å; D251-V255 PolarHBondContact O-N 3.13Å; D251-R285 IonicContact OD1-NH2 3.91Å; D251-R285 IonicContact OD2-CZ 2.79Å; D251-R285 IonicContact OD2-NH2 2.67Å; D251-R285 PolarHBondContact OD2-NH2 3.42Å
252S89.5Confident87.3Confident85 Ų8573.8 Ų73.859%0.59437%0.373SS*.Hα-helixtrans-62.8-47.4175.3-178.30000112.6T250 V255 R256T250-S252 PolarHBondContact O-N 3.43Å; S252-V255 PolarHBondContact O-N 2.73Å; S252-R256 WeakPolarHBondContact O-CB 3.49Å; S252-R256 PolarHBondContact O-N 2.87Å
253Q92.8Very high87.8Confident55 Ų5574.5 Ų74.526%0.25739%0.385SS..Hα-helixtrans-62.2-45.8175.5-75.8166.7-41.100111.5L237 L249 T250 V255 R256 F257L237-Q253 HydrophobicContact CD1-CB 4.09Å; L237-Q253 HydrophobicContact CD1-CG 4.47Å; L237-Q253 HydrophobicContact CD2-CB 4.14Å; L237-Q253 HydrophobicContact CD2-CG 4.38Å; L237-Q253 WeakPolarHBondContact CD2-O 3.45Å; L249-Q253 HydrophobicContact CB-CB 4.2Å; L249-Q253 HydrophobicContact CD2-CB 4.49Å; T250-Q253 PolarHBondContact O-N 3.45Å; T250-Q253 VanDerWaalsContact O-N 3.14Å; T250-Q253 WeakPolarHBondContact OG1-CB 3.45Å; T250-Q253 VanDerWaalsContact OG1-CG 3.28Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.5Å; T250-Q253 PolarHBondContact OG1-N 2.8Å; T250-Q253 PolarHBondContact OG1-OE1 3.18Å; Q253-V255 PolarHBondContact O-N 3.31Å; Q253-R256 PolarHBondContact O-N 2.81Å; Q253-F257 WeakPolarHBondContact O-CB 3.35Å; Q253-F257 PolarHBondContact O-N 3.3Å
254R94.8Very high88.4Confident36 Ų3670 Ų7014%0.13636%0.361CS..Hα-helixtrans-59.4-47.1177.7-173.7-174.267.1-123.2-6.7111L249 T250 D251 R256 F257 T258 V283 T284L249-R254 HydrophobicContact CB-CB 4.41Å; T250-R254 PolarHBondContact O-N 2.78Å; D251-R254 PolarHBondContact O-N 2.89Å; D251-R254 IonicContact OD1-CZ 3.44Å; D251-R254 IonicContact OD1-NH1 2.71Å; D251-R254 PolarHBondContact OD1-NH1 3.26Å; D251-R254 IonicContact OD1-NH2 3.49Å; D251-R254 PolarHBondContact OD1-NH2 3.33Å; R254-R256 PolarHBondContact O-N 3.16Å; R254-F257 PolarHBondContact O-N 3.14Å; R254-T258 VanDerWaalsContact O-CB 3.31Å; R254-T258 WeakPolarHBondContact O-CB 3.12Å; R254-T258 PolarHBondContact O-N 3.44Å; R254-T258 PolarHBondContact O-OG1 3.25Å; R254-V283 HydrophobicContact CG-CG1 4.22Å; R254-T284 VanDerWaalsContact CD-O 3.28Å; R254-T284 WeakPolarHBondContact CD-O 3.41Å
255V92.8Very high89.6Confident67 Ų6767 Ų6741%0.40635%0.345SS..Hα-helixtrans-61.9-43.8178.8168.80000110.9D251 S252 Q253 T258 K259D251-V255 WeakPolarHBondContact O-CB 3.48Å; D251-V255 VanDerWaalsContact O-CG2 3.24Å; D251-V255 WeakPolarHBondContact O-CG2 3.47Å; D251-V255 PolarHBondContact O-N 3.13Å; S252-V255 PolarHBondContact O-N 2.73Å; Q253-V255 PolarHBondContact O-N 3.31Å; V255-T258 PolarHBondContact O-N 3.27Å; V255-K259 HydrophobicContact CG1-CD 4.32Å; V255-K259 HydrophobicContact CG1-CG 4.45Å; V255-K259 WeakPolarHBondContact O-CB 3.4Å; V255-K259 WeakPolarHBondContact O-CG 3.4Å; V255-K259 PolarHBondContact O-N 3.34Å
256R92.3Very high91.4Very high141 Ų14161.9 Ų61.953%0.53232%0.321SS..Hα-helixtrans-60.4-47.2176-178.7174.5170.5177.4-6.5112V236 L237 S252 Q253 R254 K259 E260V236-R256 HydrophobicContact CG1-CG 4.36Å; V236-R256 VanDerWaalsContact O-CZ 3.23Å; V236-R256 PolarHBondContact O-NE 2.81Å; V236-R256 VanDerWaalsContact O-NE 3.13Å; V236-R256 PolarHBondContact O-NH2 3.16Å; L237-R256 HydrophobicContact CD2-CB 4.18Å; L237-R256 HydrophobicContact CD2-CG 4.17Å; S252-R256 WeakPolarHBondContact O-CB 3.49Å; S252-R256 PolarHBondContact O-N 2.87Å; Q253-R256 PolarHBondContact O-N 2.81Å; R254-R256 PolarHBondContact O-N 3.16Å; R256-K259 PolarHBondContact O-N 3.39Å; R256-E260 PolarHBondContact O-N 3.25Å
257F95.9Very high92.6Very high0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-62-45.5175.8173.7-118.9000112V229 F232 M233 L237 Q253 R254 K259 E260 I261 V283 L327 L340V229-F257 HydrophobicContact CG1-CZ 3.97Å; F232-F257 AromaticContact CD1-CE2 3.94Å; F232-F257 HydrophobicContact CD1-CE2 3.94Å; F232-F257 HydrophobicContact CE1-CE2 4.19Å; M233-F257 HydrophobicContact CB-CD2 3.93Å; M233-F257 HydrophobicContact CB-CE2 3.64Å; M233-F257 HydrophobicContact CB-CZ 4.22Å; M233-F257 HydrophobicContact CG-CD2 3.83Å; M233-F257 HydrophobicContact CG-CE2 3.96Å; M233-F257 HydrophobicContact CG-CG 4.18Å; M233-F257 HydrophobicContact CG-CZ 4.43Å; L237-F257 HydrophobicContact CD2-CB 4.34Å; Q253-F257 WeakPolarHBondContact O-CB 3.35Å; Q253-F257 PolarHBondContact O-N 3.3Å; R254-F257 PolarHBondContact O-N 3.14Å; F257-K259 PolarHBondContact O-N 2.79Å; F257-E260 WeakPolarHBondContact O-CA 3.46Å; F257-E260 PolarHBondContact O-N 2.9Å; F257-I261 HydrophobicContact CD1-CG2 4.39Å; F257-I261 HydrophobicContact CE1-CG2 4.05Å; F257-I261 HydrophobicContact CE2-CB 4.11Å; F257-I261 HydrophobicContact CE2-CD1 3.9Å; F257-I261 HydrophobicContact CE2-CG2 4.19Å; F257-I261 HydrophobicContact CZ-CB 4.23Å; F257-I261 HydrophobicContact CZ-CD1 3.6Å; F257-I261 HydrophobicContact CZ-CG2 3.95Å; F257-I261 WeakPolarHBondContact O-CG2 3.37Å; F257-I261 PolarHBondContact O-N 3.08Å; F257-V283 HydrophobicContact CD1-CG1 4.11Å; F257-V283 HydrophobicContact CD1-CG2 4Å; F257-V283 HydrophobicContact CE1-CG1 4.14Å; F257-V283 HydrophobicContact CE1-CG2 3.9Å; F257-L327 HydrophobicContact CE1-CD2 4.18Å; F257-L327 HydrophobicContact CZ-CD2 4.25Å; F257-L340 HydrophobicContact CE1-CD1 4.41Å; F257-L340 HydrophobicContact CE1-CD2 4.1Å; F257-L340 HydrophobicContact CZ-CD2 4.16Å
258T95.4Very high93.3Very high20 Ų2051.7 Ų51.712%0.12327%0.269CS..Hα-helixtrans-58.6-46.6177.3-53.80000111.1R254 V255 E260 I261 K262 V283R254-T258 VanDerWaalsContact O-CB 3.31Å; R254-T258 WeakPolarHBondContact O-CB 3.12Å; R254-T258 PolarHBondContact O-N 3.44Å; R254-T258 PolarHBondContact O-OG1 3.25Å; V255-T258 PolarHBondContact O-N 3.27Å; T258-E260 PolarHBondContact O-N 3.48Å; T258-I261 PolarHBondContact O-N 3.02Å; T258-K262 WeakPolarHBondContact O-CB 3.35Å; T258-K262 PolarHBondContact O-N 3.23Å; T258-V283 HydrophobicContact CG2-CB 4.28Å; T258-V283 HydrophobicContact CG2-CG2 4.15Å; T258-V283 WeakPolarHBondContact OG1-CB 3.34Å
259K90.7Very high93.6Very high116 Ų11650.8 Ų50.850%0.50426%0.263SS..Hα-helixtrans-56.9-30.7176-79.7-177.6178.6-177.80111.3V255 R256 F257 K353 D822V255-K259 HydrophobicContact CG1-CD 4.32Å; V255-K259 HydrophobicContact CG1-CG 4.45Å; V255-K259 WeakPolarHBondContact O-CB 3.4Å; V255-K259 WeakPolarHBondContact O-CG 3.4Å; V255-K259 PolarHBondContact O-N 3.34Å; R256-K259 PolarHBondContact O-N 3.39Å; F257-K259 PolarHBondContact O-N 2.79Å; K259-K353 PolarHBondContact O-NZ 2.82Å; K259-D822 IonicContact NZ-OD1 2.96Å; K259-D822 PolarHBondContact NZ-OD1 3.47Å
260E94.2Very high93.6Very high46 Ų4651.3 Ų51.322%0.21527%0.265CS..Hα-helixtrans-86.9-45.1-179.7-73.9-61.3160.600114.2R195 F232 V236 R256 F257 T258 K353R195-E260 IonicContact CZ-OE2 2.93Å; R195-E260 IonicContact NH2-OE1 3.17Å; R195-E260 PolarHBondContact NH2-OE1 2.99Å; R195-E260 IonicContact NH2-OE2 3.85Å; R195-E260 PolarHBondContact NH2-OE2 2.9Å; F232-E260 HydrophobicContact CE1-CB 4.36Å; F232-E260 HydrophobicContact CZ-CB 4.22Å; V236-E260 HydrophobicContact CG1-CB 4.01Å; V236-E260 HydrophobicContact CG1-CG 3.74Å; V236-E260 HydrophobicContact CG2-CB 4.05Å; V236-E260 HydrophobicContact CG2-CG 4.15Å; R256-E260 PolarHBondContact O-N 3.25Å; F257-E260 WeakPolarHBondContact O-CA 3.46Å; F257-E260 PolarHBondContact O-N 2.9Å; T258-E260 PolarHBondContact O-N 3.48Å; E260-K353 VanDerWaalsContact C-NZ 3.35Å; E260-K353 PolarHBondContact O-NZ 2.85Å
261I96.1Very high93.3Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-85.5-24.7-175.1-160.4162.2000114.3V229 F232 F257 T258 G263 L264 V280 V283 L327 I345V229-I261 HydrophobicContact CG1-CD1 3.65Å; V229-I261 HydrophobicContact CG2-CD1 4.21Å; F232-I261 HydrophobicContact CD1-CD1 4.26Å; F232-I261 HydrophobicContact CE1-CB 4Å; F232-I261 HydrophobicContact CE1-CD1 4.4Å; F232-I261 HydrophobicContact CE1-CG1 4.27Å; F257-I261 HydrophobicContact CD1-CG2 4.39Å; F257-I261 HydrophobicContact CE1-CG2 4.05Å; F257-I261 HydrophobicContact CE2-CB 4.11Å; F257-I261 HydrophobicContact CE2-CD1 3.9Å; F257-I261 HydrophobicContact CE2-CG2 4.19Å; F257-I261 HydrophobicContact CZ-CB 4.23Å; F257-I261 HydrophobicContact CZ-CD1 3.6Å; F257-I261 HydrophobicContact CZ-CG2 3.95Å; F257-I261 WeakPolarHBondContact O-CG2 3.37Å; F257-I261 PolarHBondContact O-N 3.08Å; T258-I261 PolarHBondContact O-N 3.02Å; I261-G263 PolarHBondContact O-N 2.96Å; I261-L264 HydrophobicContact CG1-CD1 4.48Å; I261-L264 WeakPolarHBondContact O-CB 3.06Å; I261-L264 WeakPolarHBondContact O-CG 3.19Å; I261-L264 PolarHBondContact O-N 3.45Å; I261-V280 HydrophobicContact CG1-CG2 4.31Å; I261-V280 HydrophobicContact CG2-CG1 4.28Å; I261-V283 HydrophobicContact CG2-CG2 3.64Å; I261-L327 HydrophobicContact CD1-CD1 4.08Å; I261-L327 HydrophobicContact CD1-CD2 3.82Å; I261-L327 HydrophobicContact CG2-CD2 4.34Å; I261-I345 HydrophobicContact CD1-CD1 4.25Å; I261-I345 HydrophobicContact CG1-CD1 4.48Å
262K94.1Very high92.7Very high88 Ų8849.5 Ų49.538%0.38327%0.27SS..THydrogen-bonded Turntrans-57.6129.1179-179.2168178.2138.10110.5T258 C281 E332T258-K262 WeakPolarHBondContact O-CB 3.35Å; T258-K262 PolarHBondContact O-N 3.23Å; K262-C281 WeakPolarHBondContact CD-O 3.49Å; K262-C281 WeakPolarHBondContact CE-O 3.49Å; K262-C281 WeakPolarHBondContact CG-O 3.42Å; K262-C281 PolarHBondContact NZ-O 2.87Å; K262-E332 IonicContact NZ-OE1 2.77Å; K262-E332 PolarHBondContact NZ-OE1 3.49Å
263G92.2Very high91.7Very high31 Ų3154.3 Ų54.332%0.3228%0.284SS..THydrogen-bonded Turntrans90.3-12.7-177.600000114.9I261 R279 V280I261-G263 PolarHBondContact O-N 2.96Å; G263-R279 PolarHBondContact O-NH1 2.88Å; G263-V280 WeakPolarHBondContact CA-O 3.44Å; G263-V280 PolarHBondContact N-O 2.86Å
264L95.7Very high90.6Very high12 Ų1256.4 Ų56.46%0.06330%0.295CS..  trans-75.6153176.1-56.6-172.5000111.3Y224 F232 I261 V280 I345Y224-L264 HydrophobicContact CD1-CD1 3.94Å; Y224-L264 HydrophobicContact CD2-CD1 4.28Å; Y224-L264 HydrophobicContact CD2-CD2 3.67Å; Y224-L264 HydrophobicContact CE1-CD1 3.84Å; Y224-L264 HydrophobicContact CE1-CD2 4.37Å; Y224-L264 HydrophobicContact CE2-CD1 4.21Å; Y224-L264 HydrophobicContact CE2-CD2 3.29Å; Y224-L264 HydrophobicContact CE2-CG 4.39Å; Y224-L264 HydrophobicContact CG-CD1 4.14Å; Y224-L264 HydrophobicContact CG-CD2 4.35Å; F232-L264 HydrophobicContact CE2-CD1 4.41Å; F232-L264 HydrophobicContact CZ-CD1 4.01Å; I261-L264 HydrophobicContact CG1-CD1 4.48Å; I261-L264 WeakPolarHBondContact O-CB 3.06Å; I261-L264 WeakPolarHBondContact O-CG 3.19Å; I261-L264 PolarHBondContact O-N 3.45Å; L264-V280 PolarHBondContact O-N 3.03Å; L264-I345 HydrophobicContact CD1-CD1 4.34Å
265K96Very high89.7Confident81 Ų8160 Ų6035%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-90.4135.9170.9-62175.9-75.3171.10110.2Y278 R279 V346 Q349K265-Y278 CarbonylContact C-O 3.52Å; K265-Y278 WeakPolarHBondContact CA-O 3.25Å; K265-R279 HydrophobicContact CG-CB 4.48Å; K265-V346 HydrophobicContact CB-CB 4.18Å; K265-V346 HydrophobicContact CB-CG2 4.02Å; K265-V346 PolarHBondContact O-N 3.37Å; K265-V346 VanDerWaalsContact O-N 3.1Å; K265-Q349 VanDerWaalsContact CB-OE1 3.22Å; K265-Q349 PolarHBondContact O-NE2 3.03Å
266V96.9Very high89.4Confident0 Ų064.4 Ų64.40%032%0.32CS..EExtended strand (participates in β ladder)trans-121.1152.6173.6-64.70000109.8V229 K277 Y278 V280 L327 V329 C343 N344 I345V229-V266 HydrophobicContact CG2-CG1 3.87Å; V266-K277 CarbonylContact O-C 3.51Å; V266-K277 WeakPolarHBondContact O-CA 3.21Å; V266-Y278 PolarHBondContact N-O 3.49Å; V266-Y278 PolarHBondContact O-N 3.09Å; V266-V280 HydrophobicContact CG1-CG2 3.81Å; V266-V280 HydrophobicContact CG2-CG2 3.89Å; V266-L327 HydrophobicContact CG1-CD1 4.01Å; V266-L327 HydrophobicContact CG2-CD1 4.19Å; V266-V329 HydrophobicContact CG2-CG1 4.3Å; V266-C343 HydrophobicContact CB-CB 4.29Å; V266-N344 CarbonylContact C-O 3.32Å; V266-N344 WeakPolarHBondContact CA-O 3.4Å; V266-N344 WeakPolarHBondContact CB-O 3.49Å; V266-I345 HydrophobicContact CG1-CD1 4.15Å
267E95.2Very high89.4Confident37 Ų3763.6 Ų63.617%0.17332%0.321CS..EExtended strand (participates in β ladder)trans-118.4144.9171.260.5-173.9-148.100110.4R276 K277 C343 N344 V346E267-R276 WeakPolarHBondContact CA-O 3.34Å; E267-K277 HydrophobicContact CB-CG 4.09Å; E267-K277 WeakPolarHBondContact OE2-CE 3.28Å; E267-C343 WeakPolarHBondContact O-CA 3.33Å; E267-N344 HydrophobicContact CG-CB 3.99Å; E267-N344 PolarHBondContact N-O 2.82Å; E267-N344 PolarHBondContact O-N 3.13Å; E267-V346 HydrophobicContact CB-CG2 3.94Å; E267-V346 HydrophobicContact CG-CG2 4.13Å
268V94.5Very high89.3Confident6 Ų665.5 Ų65.54%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-86.7146.8-178.3-64.30000111.8R276 Y278 L338 V342V268-R276 HydrophobicContact CG2-CB 4Å; V268-R276 PolarHBondContact N-O 3.45Å; V268-R276 VanDerWaalsContact N-O 3.16Å; V268-Y278 HydrophobicContact CG1-CD2 4.08Å; V268-Y278 HydrophobicContact CG1-CE2 3.92Å; V268-L338 HydrophobicContact CG1-CD1 3.78Å; V268-L338 HydrophobicContact CG1-CD2 4.1Å; V268-V342 VanDerWaalsContact CA-O 3.3Å; V268-V342 WeakPolarHBondContact CA-O 3.46Å
269T93.2Very high89.2Confident70 Ų7071.2 Ų71.243%0.42935%0.347SS..SBendtrans-110.6-10.8-179.255.90000114V342 N344T269-V342 PolarHBondContact N-O 3.27Å; T269-V342 WeakPolarHBondContact OG1-CA 3.35Å; T269-V342 PolarHBondContact OG1-O 3.05Å; T269-N344 WeakPolarHBondContact CG2-ND2 3.45Å
270H90.1Very high89.5Confident34 Ų3465.7 Ų65.716%0.15732%0.324CS..THydrogen-bonded Turntrans-86.1-2.6-173.564.7-82.1000114.8F311 Y315 L317 V342H270-F311 AromaticContact CD2-CE1 3.68Å; H270-F311 AromaticContact CE1-CE1 3.76Å; H270-F311 AromaticContact CE1-CZ 3.97Å; H270-F311 AromaticContact CG-CE1 3.81Å; H270-F311 AromaticContact ND1-CE1 3.85Å; H270-F311 AromaticContact NE2-CE1 3.66Å; H270-F311 AromaticContact NE2-CZ 3.93Å; H270-Y315 AromaticContact CD2-CD1 3.95Å; H270-Y315 AromaticContact CD2-CD2 3.86Å; H270-Y315 AromaticContact CD2-CE1 3.89Å; H270-Y315 AromaticContact CD2-CE2 3.81Å; H270-Y315 AromaticContact CD2-CG 3.95Å; H270-Y315 AromaticContact CD2-CZ 3.83Å; H270-Y315 AromaticContact NE2-CE2 3.88Å; H270-Y315 AromaticContact NE2-CZ 3.85Å; H270-L317 HydrophobicContact CB-CD1 3.78Å; H270-V342 HydrophobicContact CB-CB 4.31Å; H270-V342 HydrophobicContact CB-CG1 4.2Å
271C86.1Confident89.5Confident51 Ų5164.1 Ų64.135%0.34532%0.317SS..THydrogen-bonded Turntrans-107.227.4-177.2-58.60000113.5Q273 M274C271-Q273 PolarHBondContact O-N 3.19Å; C271-M274 HydrophobicContact CB-CB 4.12Å; C271-M274 PolarHBondContact O-N 3.38Å; C271-M274 VanDerWaalsContact O-N 3.14Å
272G77.9Confident89.5Confident63 Ų6367 Ų6765%0.64933%0.333SS*.THydrogen-bonded Turntrans60.8-120.9177.800000112.9M274G272-M274 VanDerWaalsContact C-N 3.29Å; G272-M274 PolarHBondContact O-N 2.91Å
273Q69.1Low89.7Confident187 Ų18763.1 Ų63.187%0.87432%0.317SS*.THydrogen-bonded Turntrans-72-19-179.9-68.8-174.8-12.600113.6C271 K275C271-Q273 PolarHBondContact O-N 3.19Å; Q273-K275 PolarHBondContact O-N 2.83Å
274M70.2Confident89.9Confident99 Ų9962.1 Ų62.149%0.48830%0.304SS..  trans-80.4105178.1-73.2-160.5165.300111.2G122 C271 G272 R276G122-M274 VanDerWaalsContact CA-CE 3.42Å; C271-M274 HydrophobicContact CB-CB 4.12Å; C271-M274 PolarHBondContact O-N 3.38Å; C271-M274 VanDerWaalsContact O-N 3.14Å; G272-M274 VanDerWaalsContact C-N 3.29Å; G272-M274 PolarHBondContact O-N 2.91Å; M274-R276 PolarHBondContact O-N 3.43Å
275K76.1Confident89.9Confident110 Ų11069.6 Ų69.648%0.47833%0.332SS..  trans-98.662.2-179.2-67.5-172.2179.7-177.10111E121 Q273 K277E121-K275 PolarHBondContact OE2-N 3.05Å; Q273-K275 PolarHBondContact O-N 2.83Å; K275-K277 PolarHBondContact O-N 3.1Å
276R85.9Confident89.9Confident160 Ų16072.7 Ų72.760%0.60434%0.341SS*.  trans-61.1129.8-177.4-170.4167.5174.8-171.40.7111.2E267 V268 M274 Y278E267-R276 WeakPolarHBondContact CA-O 3.34Å; V268-R276 HydrophobicContact CG2-CB 4Å; V268-R276 PolarHBondContact N-O 3.45Å; V268-R276 VanDerWaalsContact N-O 3.16Å; M274-R276 PolarHBondContact O-N 3.43Å; R276-Y278 HydrophobicContact CB-CE2 4.07Å; R276-Y278 WeakPolarHBondContact CD-OH 3.46Å; R276-Y278 HydrophobicContact CG-CD2 4.34Å; R276-Y278 HydrophobicContact CG-CE2 3.67Å; R276-Y278 PolarHBondContact NE-OH 3.41Å; R276-Y278 VanDerWaalsContact NE-OH 3.09Å; R276-Y278 PolarHBondContact NH1-OH 3.3Å; R276-Y278 VanDerWaalsContact NH1-OH 3.14Å
277K91.2Very high89.9Confident124 Ų12473.8 Ų73.854%0.53935%0.348SS..EExtended strand (participates in β ladder)trans-99.2137.6-179.1-66.2172.7-174.4167.30111.1V266 E267 K275 V346V266-K277 CarbonylContact O-C 3.51Å; V266-K277 WeakPolarHBondContact O-CA 3.21Å; E267-K277 HydrophobicContact CB-CG 4.09Å; E267-K277 WeakPolarHBondContact OE2-CE 3.28Å; K275-K277 PolarHBondContact O-N 3.1Å; K277-V346 HydrophobicContact CD-CG1 4.35Å; K277-V346 HydrophobicContact CD-CG2 4.36Å; K277-V346 HydrophobicContact CG-CG2 4.12Å
278Y93.5Very high90Very high40 Ų4072.1 Ų72.116%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-132.6153.6179.7-69.2-81.8000111K265 V266 V268 R276 V329 L338K265-Y278 CarbonylContact C-O 3.52Å; K265-Y278 WeakPolarHBondContact CA-O 3.25Å; V266-Y278 PolarHBondContact N-O 3.49Å; V266-Y278 PolarHBondContact O-N 3.09Å; V268-Y278 HydrophobicContact CG1-CD2 4.08Å; V268-Y278 HydrophobicContact CG1-CE2 3.92Å; R276-Y278 HydrophobicContact CB-CE2 4.07Å; R276-Y278 WeakPolarHBondContact CD-OH 3.46Å; R276-Y278 HydrophobicContact CG-CD2 4.34Å; R276-Y278 HydrophobicContact CG-CE2 3.67Å; R276-Y278 PolarHBondContact NE-OH 3.41Å; R276-Y278 VanDerWaalsContact NE-OH 3.09Å; R276-Y278 PolarHBondContact NH1-OH 3.3Å; R276-Y278 VanDerWaalsContact NH1-OH 3.14Å; Y278-V329 HydrophobicContact CD1-CB 4.22Å; Y278-V329 HydrophobicContact CD1-CG2 3.7Å; Y278-V329 HydrophobicContact CE1-CG2 4.29Å; Y278-V329 HydrophobicContact CG-CB 4.22Å; Y278-V329 HydrophobicContact CG-CG2 3.87Å; Y278-L338 HydrophobicContact CD2-CD1 3.92Å; Y278-L338 HydrophobicContact CE2-CD1 4.31Å; Y278-L338 HydrophobicContact CG-CD1 4.37Å
279R94.9Very high90.1Very high140 Ų14073.8 Ų73.853%0.52835%0.353SS..EExtended strand (participates in β ladder)trans-101.5129.8168.1-172.5179-61-84.74.7109.5G263 K265 C281 V329 G330G263-R279 PolarHBondContact O-NH1 2.88Å; K265-R279 HydrophobicContact CG-CB 4.48Å; R279-C281 PolarHBondContact O-N 3.4Å; R279-V329 WeakPolarHBondContact O-CA 3.35Å; R279-G330 PolarHBondContact O-N 3.33Å; R279-G330 VanDerWaalsContact O-N 3.08Å
280V96.4Very high90.3Very high1 Ų176.2 Ų76.21%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-73.7122.9176.6-175.60000109.5I261 G263 L264 V266 N282 L327 V329I261-V280 HydrophobicContact CG1-CG2 4.31Å; I261-V280 HydrophobicContact CG2-CG1 4.28Å; G263-V280 WeakPolarHBondContact CA-O 3.44Å; G263-V280 PolarHBondContact N-O 2.86Å; L264-V280 PolarHBondContact O-N 3.03Å; V266-V280 HydrophobicContact CG1-CG2 3.81Å; V266-V280 HydrophobicContact CG2-CG2 3.89Å; V280-N282 WeakPolarHBondContact CG1-O 3.25Å; V280-L327 HydrophobicContact CG1-CB 4.35Å; V280-L327 HydrophobicContact CG1-CD2 4.26Å; V280-L327 HydrophobicContact CG2-CB 4.44Å; V280-L327 HydrophobicContact CG2-CD1 3.88Å; V280-V329 HydrophobicContact CG2-CG1 4.21Å
281C94.6Very high90.7Very high12 Ų1275.7 Ų75.78%0.08136%0.357CS..EExtended strand (participates in β ladder)trans-104.9-27.117664.20000112K262 R279 Q328 E332K262-C281 WeakPolarHBondContact CD-O 3.49Å; K262-C281 WeakPolarHBondContact CE-O 3.49Å; K262-C281 WeakPolarHBondContact CG-O 3.42Å; K262-C281 PolarHBondContact NZ-O 2.87Å; R279-C281 PolarHBondContact O-N 3.4Å; C281-Q328 PolarHBondContact N-O 2.96Å; C281-Q328 VanDerWaalsContact SG-C 3.55Å; C281-Q328 PolarHBondContact SG-O 3.3Å; C281-E332 HydrophobicContact CB-CG 3.45Å; C281-E332 VanDerWaalsContact CB-CG 3.45Å
282N96.4Very high91.2Very high61 Ų6175 Ų7533%0.32635%0.351SS..EExtended strand (participates in β ladder)trans-157175.2176.1-144.6-12.1000113.2V280 Q328V280-N282 WeakPolarHBondContact CG1-O 3.25Å; N282-Q328 HydrophobicContact CB-CB 3.94Å; N282-Q328 VanDerWaalsContact CB-OE1 3.31Å; N282-Q328 PolarHBondContact N-O 2.98Å; N282-Q328 PolarHBondContact O-N 3.46Å
283V97.4Very high92.1Very high7 Ų773.4 Ų73.44%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-123.1132.7168.6179.70000108.1R254 F257 T258 I261 P325 C326 L327R254-V283 HydrophobicContact CG-CG1 4.22Å; F257-V283 HydrophobicContact CD1-CG1 4.11Å; F257-V283 HydrophobicContact CD1-CG2 4Å; F257-V283 HydrophobicContact CE1-CG1 4.14Å; F257-V283 HydrophobicContact CE1-CG2 3.9Å; T258-V283 HydrophobicContact CG2-CB 4.28Å; T258-V283 HydrophobicContact CG2-CG2 4.15Å; T258-V283 WeakPolarHBondContact OG1-CB 3.34Å; I261-V283 HydrophobicContact CG2-CG2 3.64Å; V283-P325 HydrophobicContact CG1-CB 3.75Å; V283-P325 HydrophobicContact CG1-CG 3.75Å; V283-C326 WeakPolarHBondContact CA-O 3.48Å; V283-L327 HydrophobicContact CG2-CD2 4.14Å
284T96.9Very high93.3Very high10 Ų1067.4 Ų67.46%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-69.9147.6-17562.40000111.8R254 R286 Q291 P325 C326 Y337R254-T284 VanDerWaalsContact CD-O 3.28Å; R254-T284 WeakPolarHBondContact CD-O 3.41Å; T284-R286 PolarHBondContact OG1-O 3.13Å; T284-Q291 HydrophobicContact CG2-CG 4.03Å; T284-P325 VanDerWaalsContact O-CB 3.25Å; T284-P325 WeakPolarHBondContact O-CB 3.49Å; T284-C326 HydrophobicContact CG2-CB 3.99Å; T284-C326 PolarHBondContact N-O 2.85Å; T284-C326 PolarHBondContact OG1-N 2.57Å; T284-C326 PolarHBondContact OG1-O 3.37Å; T284-Y337 HydrophobicContact CG2-CD1 3.6Å; T284-Y337 HydrophobicContact CG2-CE1 3.75Å; T284-Y337 HydrophobicContact CG2-CG 4.41Å
285R95.3Very high94.4Very high169 Ų16964.4 Ų64.464%0.63829%0.289SS*.EExtended strand (participates in β ladder)trans-72.1-40.4172169.8159.3-166.915111.2111.6D251D251-R285 IonicContact OD1-NH2 3.91Å; D251-R285 IonicContact OD2-CZ 2.79Å; D251-R285 IonicContact OD2-NH2 2.67Å; D251-R285 PolarHBondContact OD2-NH2 3.42Å
286R96Very high95Very high146 Ų14665.9 Ų65.955%0.55130%0.298SS*.EExtended strand (participates in β ladder)trans-81.3145.8178.5-65-177.5-178.41761.6110.7T284 H290 Q291T284-R286 PolarHBondContact OG1-O 3.13Å; R286-H290 HydrophobicContact CB-CB 4.47Å; R286-Q291 HydrophobicContact CB-CB 4.22Å
287P97Very high95.1Very high23 Ų2361.7 Ų61.715%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-69163.3173.632.1-37.7000111.6S289 H290 Q291 H323 L324P287-S289 PolarHBondContact O-N 2.94Å; P287-S289 VanDerWaalsContact O-N 3.15Å; P287-H290 HydrophobicContact CG-CB 4.1Å; P287-H290 CarbonylContact O-C 3.56Å; P287-H290 PolarHBondContact O-N 2.67Å; P287-Q291 WeakPolarHBondContact O-CB 3.47Å; P287-Q291 PolarHBondContact O-N 3.4Å; P287-H323 VanDerWaalsContact CB-O 3.3Å; P287-H323 WeakPolarHBondContact CB-O 3.42Å; P287-L324 CarbonylContact C-O 3.52Å; P287-L324 WeakPolarHBondContact CA-O 3.36Å
288A97.1Very high94.7Very high2 Ų265.7 Ų65.72%0.01731%0.307CS..THydrogen-bonded Turntrans-58.1-29-178.600000113.7H290 A308 L319 P322 L324 C326A288-H290 VanDerWaalsContact C-N 3.29Å; A288-H290 PolarHBondContact O-N 3.29Å; A288-A308 PolarHBondContact O-N 3.05Å; A288-L319 HydrophobicContact CB-CD1 3.95Å; A288-P322 PolarHBondContact N-O 3.5Å; A288-L324 PolarHBondContact N-O 3.3Å; A288-C326 VanDerWaalsContact CA-SG 3.6Å; A288-C326 VanDerWaalsContact CB-SG 3.59Å
289S96.7Very high94.2Very high41 Ų4168.1 Ų68.129%0.28733%0.33SS..THydrogen-bonded Turntrans-66.4-24.1173.450.20000114.6P287 P322P287-S289 PolarHBondContact O-N 2.94Å; P287-S289 VanDerWaalsContact O-N 3.15Å; S289-P322 PolarHBondContact N-O 2.94Å; S289-P322 PolarHBondContact OG-O 3.12Å
290H97.3Very high93.7Very high120 Ų12063.4 Ų63.456%0.55633%0.325SS*.THydrogen-bonded Turntrans-124.3-10.5-174.2-64.377.4000113.8R286 P287 A288 T292R286-H290 HydrophobicContact CB-CB 4.47Å; P287-H290 HydrophobicContact CG-CB 4.1Å; P287-H290 CarbonylContact O-C 3.56Å; P287-H290 PolarHBondContact O-N 2.67Å; A288-H290 VanDerWaalsContact C-N 3.29Å; A288-H290 PolarHBondContact O-N 3.29Å; H290-T292 PolarHBondContact O-N 3.23Å
291Q97.8Very high93.4Very high24 Ų2469.4 Ų69.411%0.11235%0.353CS..  trans-73.3120.9174.6179.159.957.800108.6T284 R286 P287 T306 V307 Y337T284-Q291 HydrophobicContact CG2-CG 4.03Å; R286-Q291 HydrophobicContact CB-CB 4.22Å; P287-Q291 WeakPolarHBondContact O-CB 3.47Å; P287-Q291 PolarHBondContact O-N 3.4Å; Q291-T306 CarbonylContact O-C 3.59Å; Q291-T306 VanDerWaalsContact O-CA 3.28Å; Q291-T306 WeakPolarHBondContact O-CA 3.48Å; Q291-V307 HydrophobicContact CB-CG2 4.16Å; Q291-V307 HydrophobicContact CG-CG2 3.97Å; Q291-V307 PolarHBondContact O-N 2.86Å; Q291-Y337 HydrophobicContact CG-CD2 4.03Å; Q291-Y337 HydrophobicContact CG-CE2 4.25Å; Q291-Y337 HydrophobicContact CG-CG 4.22Å
292T97.3Very high93.1Very high36 Ų3672.9 Ų72.922%0.22137%0.374CS..EExtended strand (participates in β ladder)trans-108.7163.9179.563.60000111.9H290 E304 C305 T306 Y337H290-T292 PolarHBondContact O-N 3.23Å; T292-E304 WeakPolarHBondContact CB-OE2 3.33Å; T292-E304 PolarHBondContact OG1-OE2 2.86Å; T292-C305 CarbonylContact C-O 3.36Å; T292-C305 VanDerWaalsContact CA-O 3.25Å; T292-C305 WeakPolarHBondContact CA-O 3.43Å; T292-T306 HydrophobicContact CG2-CG2 3.85Å; T292-Y337 WeakPolarHBondContact O-CE2 3.21Å
293F96.4Very high92.9Very high30 Ų3072.2 Ų72.213%0.13237%0.372CS..EExtended strand (participates in β ladder)trans-150.9154.6167.564.7-81.2000109.7L295 C305 V307 Y310 H335 Y337F293-L295 HydrophobicContact CD2-CB 4.49Å; F293-L295 HydrophobicContact CE2-CB 4.01Å; F293-L295 HydrophobicContact CE2-CD1 4.05Å; F293-L295 PolarHBondContact O-N 2.99Å; F293-C305 WeakPolarHBondContact CD1-O 3.47Å; F293-C305 PolarHBondContact N-O 2.92Å; F293-C305 PolarHBondContact O-N 2.88Å; F293-V307 HydrophobicContact CD1-CG2 4.21Å; F293-V307 HydrophobicContact CE1-CG2 4.37Å; F293-Y310 HydrophobicContact CE1-CD1 4.48Å; F293-Y310 HydrophobicContact CE1-CG 4.17Å; F293-Y310 HydrophobicContact CZ-CD1 4.03Å; F293-Y310 AromaticContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CE2 4.37Å; F293-Y310 AromaticContact CZ-CG 3.62Å; F293-Y310 HydrophobicContact CZ-CG 3.62Å; F293-H335 HydrophobicContact CB-CB 3.98Å; F293-Y337 HydrophobicContact CB-CD2 4.09Å; F293-Y337 HydrophobicContact CB-CE2 3.94Å; F293-Y337 HydrophobicContact CD1-CD2 4.43Å
294P95.1Very high92.8Very high60 Ų6077.5 Ų77.539%0.3940%0.396SS..EExtended strand (participates in β ladder)trans-70119.2175.626.8-33.6000110T302P294-T302 HydrophobicContact CB-CG2 3.68Å
295L92.4Very high92.7Very high37 Ų3777.3 Ų77.319%0.19440%0.395CS..EExtended strand (participates in β ladder)trans-114.3123.8176.7179.268.7000109.3F293 L297 T302 V303 C305 Y310F293-L295 HydrophobicContact CD2-CB 4.49Å; F293-L295 HydrophobicContact CE2-CB 4.01Å; F293-L295 HydrophobicContact CE2-CD1 4.05Å; F293-L295 PolarHBondContact O-N 2.99Å; L295-L297 HydrophobicContact CD2-CD2 4.32Å; L295-T302 WeakPolarHBondContact O-CA 3.31Å; L295-V303 HydrophobicContact CB-CG2 4.5Å; L295-V303 PolarHBondContact N-O 3.06Å; L295-V303 PolarHBondContact O-N 2.95Å; L295-C305 HydrophobicContact CB-CB 3.89Å; L295-C305 HydrophobicContact CD2-CB 3.9Å; L295-Y310 HydrophobicContact CD1-CD2 4.29Å; L295-Y310 HydrophobicContact CD1-CE2 4.08Å; L295-Y310 HydrophobicContact CD2-CD2 4.05Å
296Q89.9Confident92.8Very high141 Ų14170.2 Ų70.266%0.65937%0.371SS*.EExtended strand (participates in β ladder)trans-83.3122.1172.2-165172.718.600109.6G300Q296-G300 PolarHBondContact NE2-O 2.69Å
297L86.8Confident92.9Very high72 Ų7263.3 Ų63.338%0.37735%0.345SS..  trans-79.8165.5175.1-58.8-179.8000110.7L295 S299 G300 Q301 V303L295-L297 HydrophobicContact CD2-CD2 4.32Å; L297-S299 PolarHBondContact O-N 2.87Å; L297-G300 PolarHBondContact O-N 2.94Å; L297-Q301 PolarHBondContact N-O 3.41Å; L297-V303 HydrophobicContact CD1-CG1 3.79Å; L297-V303 HydrophobicContact CD1-CG2 3.97Å; L297-V303 HydrophobicContact CD2-CG2 3.89Å; L297-V303 HydrophobicContact CG-CG1 4.33Å; L297-V303 HydrophobicContact CG-CG2 3.85Å
298E83.8Confident92.9Very high208 Ų20863.3 Ų63.397%0.97235%0.347SS*.THydrogen-bonded Turntrans-60.5-25.1176.2-67.5-178.6176.700112.7G300E298-G300 PolarHBondContact O-N 3.49Å
299S83.1Confident92.9Very high91 Ų9168 Ų6864%0.63637%0.368SS*.THydrogen-bonded Turntrans-69.7-3.5172.261.50000114.3L297 Q301L297-S299 PolarHBondContact O-N 2.87Å; S299-Q301 PolarHBondContact O-N 3.26Å
300G84.6Confident92.9Very high41 Ų4168.5 Ų68.542%0.42336%0.364SS..SBendtrans81.7-12.3-17400000114.4Q296 L297 E298Q296-G300 PolarHBondContact NE2-O 2.69Å; L297-G300 PolarHBondContact O-N 2.94Å; E298-G300 PolarHBondContact O-N 3.49Å
301Q88.5Confident92.9Very high126 Ų12663 Ų6359%0.58934%0.339SS*.  trans-71.1137.2177.4-169.3178.416.600111.3L297 S299 V303L297-Q301 PolarHBondContact N-O 3.41Å; S299-Q301 PolarHBondContact O-N 3.26Å; Q301-V303 HydrophobicContact CG-CG1 4.38Å
302T90.3Very high92.8Very high86 Ų8666.2 Ų66.253%0.52835%0.352SS..EExtended strand (participates in β ladder)trans-94.8126.1172.6-58.50000110P294 L295P294-T302 HydrophobicContact CB-CG2 3.68Å; L295-T302 WeakPolarHBondContact O-CA 3.31Å
303V91.9Very high92.6Very high46 Ų4671.6 Ų71.628%0.27938%0.375SS..EExtended strand (participates in β ladder)trans-121.8146.9177.6-60.50000110.4L295 L297 Q301 C305L295-V303 HydrophobicContact CB-CG2 4.5Å; L295-V303 PolarHBondContact N-O 3.06Å; L295-V303 PolarHBondContact O-N 2.95Å; L297-V303 HydrophobicContact CD1-CG1 3.79Å; L297-V303 HydrophobicContact CD1-CG2 3.97Å; L297-V303 HydrophobicContact CD2-CG2 3.89Å; L297-V303 HydrophobicContact CG-CG1 4.33Å; L297-V303 HydrophobicContact CG-CG2 3.85Å; Q301-V303 HydrophobicContact CG-CG1 4.38Å; V303-C305 PolarHBondContact O-N 3.44Å
304E94.1Very high92.4Very high118 Ų11876.7 Ų76.755%0.55140%0.397SS*.EExtended strand (participates in β ladder)trans-76.8108170-79.2-68.1134.100109T292T292-E304 WeakPolarHBondContact CB-OE2 3.33Å; T292-E304 PolarHBondContact OG1-OE2 2.86Å
305C95.3Very high92.3Very high7 Ų777.8 Ų77.85%0.04739%0.394CS..EExtended strand (participates in β ladder)trans-105.1135.9179.6-170.50000109.7T292 F293 L295 V303T292-C305 CarbonylContact C-O 3.36Å; T292-C305 VanDerWaalsContact CA-O 3.25Å; T292-C305 WeakPolarHBondContact CA-O 3.43Å; F293-C305 WeakPolarHBondContact CD1-O 3.47Å; F293-C305 PolarHBondContact N-O 2.92Å; F293-C305 PolarHBondContact O-N 2.88Å; L295-C305 HydrophobicContact CB-CB 3.89Å; L295-C305 HydrophobicContact CD2-CB 3.9Å; V303-C305 PolarHBondContact O-N 3.44Å
306T97.6Very high92.4Very high20 Ų2082.2 Ų82.212%0.12342%0.418CS..EExtended strand (participates in β ladder)trans-73151.4171.965.40000110.8Q291 T292 A308 Q309 Y310Q291-T306 CarbonylContact O-C 3.59Å; Q291-T306 VanDerWaalsContact O-CA 3.28Å; Q291-T306 WeakPolarHBondContact O-CA 3.48Å; T292-T306 HydrophobicContact CG2-CG2 3.85Å; T306-A308 VanDerWaalsContact C-N 3.28Å; T306-A308 PolarHBondContact O-N 2.9Å; T306-Q309 PolarHBondContact O-N 2.8Å; T306-Q309 VanDerWaalsContact OG1-CB 3.25Å; T306-Q309 WeakPolarHBondContact OG1-CB 3.49Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.45Å; T306-Q309 PolarHBondContact OG1-N 2.65Å; T306-Q309 VanDerWaalsContact OG1-N 3.16Å; T306-Q309 PolarHBondContact OG1-OE1 3.48Å; T306-Y310 WeakPolarHBondContact O-CB 3.49Å; T306-Y310 PolarHBondContact O-N 2.82Å
307V97.9Very high92.6Very high1 Ų177.6 Ų77.61%0.00640%0.398CS..Hα-helixtrans-57.9-43.5175.8177.60000110.8Q291 F293 Y310 F311 Y337 P339Q291-V307 HydrophobicContact CB-CG2 4.16Å; Q291-V307 HydrophobicContact CG-CG2 3.97Å; Q291-V307 PolarHBondContact O-N 2.86Å; F293-V307 HydrophobicContact CD1-CG2 4.21Å; F293-V307 HydrophobicContact CE1-CG2 4.37Å; V307-Y310 PolarHBondContact O-N 2.84Å; V307-F311 HydrophobicContact CG1-CD2 3.92Å; V307-F311 HydrophobicContact CG1-CE2 4.02Å; V307-F311 WeakPolarHBondContact O-CD2 3.37Å; V307-F311 PolarHBondContact O-N 3.22Å; V307-F311 VanDerWaalsContact O-N 3.09Å; V307-Y337 HydrophobicContact CG2-CD2 4.23Å; V307-Y337 HydrophobicContact CG2-CG 4.38Å; V307-P339 HydrophobicContact CG1-CG 3.66Å
308A97.2Very high93.1Very high22 Ų2281 Ų8118%0.18241%0.411CS..Hα-helixtrans-61.7-45.8178.300000113.2A288 T306 F311 K312 L319A288-A308 PolarHBondContact O-N 3.05Å; T306-A308 VanDerWaalsContact C-N 3.28Å; T306-A308 PolarHBondContact O-N 2.9Å; A308-F311 PolarHBondContact O-N 2.82Å; A308-K312 PolarHBondContact O-N 3.3Å; A308-K312 VanDerWaalsContact O-N 3.11Å; A308-L319 HydrophobicContact CB-CD1 3.94Å
309Q96.4Very high93.7Very high102 Ų10272 Ų7248%0.47737%0.37SS..Hα-helixtrans-64.2-43.7177.9-74.4163.7-2600111.6T306 F311 K312 Q313T306-Q309 PolarHBondContact O-N 2.8Å; T306-Q309 VanDerWaalsContact OG1-CB 3.25Å; T306-Q309 WeakPolarHBondContact OG1-CB 3.49Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.45Å; T306-Q309 PolarHBondContact OG1-N 2.65Å; T306-Q309 VanDerWaalsContact OG1-N 3.16Å; T306-Q309 PolarHBondContact OG1-OE1 3.48Å; Q309-F311 VanDerWaalsContact C-N 3.35Å; Q309-F311 PolarHBondContact O-N 2.83Å; Q309-K312 PolarHBondContact O-N 2.85Å; Q309-Q313 WeakPolarHBondContact O-CB 3.48Å; Q309-Q313 WeakPolarHBondContact O-CG 3.24Å; Q309-Q313 PolarHBondContact O-N 2.99Å
310Y96.8Very high94.2Very high51 Ų5175.7 Ų75.720%0.237%0.374CS..Hα-helixtrans-57.4-46.7177.7174.8-105.4000111.9F293 L295 T306 V307 K312 Q313 K314 Y315F293-Y310 HydrophobicContact CE1-CD1 4.48Å; F293-Y310 HydrophobicContact CE1-CG 4.17Å; F293-Y310 HydrophobicContact CZ-CD1 4.03Å; F293-Y310 AromaticContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CE2 4.37Å; F293-Y310 AromaticContact CZ-CG 3.62Å; F293-Y310 HydrophobicContact CZ-CG 3.62Å; L295-Y310 HydrophobicContact CD1-CD2 4.29Å; L295-Y310 HydrophobicContact CD1-CE2 4.08Å; L295-Y310 HydrophobicContact CD2-CD2 4.05Å; T306-Y310 WeakPolarHBondContact O-CB 3.49Å; T306-Y310 PolarHBondContact O-N 2.82Å; V307-Y310 PolarHBondContact O-N 2.84Å; Y310-K312 PolarHBondContact O-N 2.84Å; Y310-Q313 PolarHBondContact O-N 3.38Å; Y310-K314 HydrophobicContact CD2-CB 4.28Å; Y310-K314 HydrophobicContact CE2-CB 3.97Å; Y310-K314 HydrophobicContact CE2-CG 4.12Å; Y310-K314 VanDerWaalsContact O-CB 3.24Å; Y310-K314 WeakPolarHBondContact O-CB 3.42Å; Y310-K314 PolarHBondContact O-N 2.86Å; Y310-Y315 HydrophobicContact CD1-CE2 4.43Å; Y310-Y315 HydrophobicContact CE1-CD2 4.49Å; Y310-Y315 AromaticContact CE1-CE2 3.67Å; Y310-Y315 HydrophobicContact CE1-CE2 3.67Å
311F97.2Very high94.7Very high5 Ų575.8 Ų75.82%0.02236%0.362CS..Hα-helixtrans-66.8-36.2179.4-88.7-99.7000112.9H270 V307 A308 Q309 Y315 N316 L317 L338 P339 V342H270-F311 AromaticContact CD2-CE1 3.68Å; H270-F311 AromaticContact CE1-CE1 3.76Å; H270-F311 AromaticContact CE1-CZ 3.97Å; H270-F311 AromaticContact CG-CE1 3.81Å; H270-F311 AromaticContact ND1-CE1 3.85Å; H270-F311 AromaticContact NE2-CE1 3.66Å; H270-F311 AromaticContact NE2-CZ 3.93Å; V307-F311 HydrophobicContact CG1-CD2 3.92Å; V307-F311 HydrophobicContact CG1-CE2 4.02Å; V307-F311 WeakPolarHBondContact O-CD2 3.37Å; V307-F311 PolarHBondContact O-N 3.22Å; V307-F311 VanDerWaalsContact O-N 3.09Å; A308-F311 PolarHBondContact O-N 2.82Å; Q309-F311 VanDerWaalsContact C-N 3.35Å; Q309-F311 PolarHBondContact O-N 2.83Å; F311-Y315 AromaticContact CD1-CD2 3.84Å; F311-Y315 HydrophobicContact CD1-CD2 3.84Å; F311-Y315 HydrophobicContact CD1-CE2 4.43Å; F311-Y315 HydrophobicContact CE1-CD2 4.1Å; F311-Y315 HydrophobicContact CE1-CE2 4.3Å; F311-Y315 HydrophobicContact CG-CD2 4.27Å; F311-Y315 PolarHBondContact O-N 2.9Å; F311-N316 PolarHBondContact O-N 3.03Å; F311-L317 CarbonylContact C-O 3.57Å; F311-L317 PolarHBondContact O-N 3.27Å; F311-L317 VanDerWaalsContact O-N 3.1Å; F311-L338 HydrophobicContact CZ-CD2 4.49Å; F311-P339 HydrophobicContact CD1-CG 4.47Å; F311-P339 HydrophobicContact CD2-CG 3.94Å; F311-P339 HydrophobicContact CE1-CG 4.38Å; F311-P339 HydrophobicContact CE2-CG 3.84Å; F311-P339 HydrophobicContact CG-CG 4.26Å; F311-P339 VanDerWaalsContact CZ-CD 3.45Å; F311-P339 HydrophobicContact CZ-CG 4.07Å; F311-V342 HydrophobicContact CD1-CG1 4.44Å; F311-V342 HydrophobicContact CE1-CB 4.49Å; F311-V342 HydrophobicContact CE1-CG1 4.16Å; F311-V342 HydrophobicContact CE1-CG2 3.93Å; F311-V342 HydrophobicContact CZ-CG2 4.16Å
312K96Very high95.1Very high90 Ų9071.8 Ų71.839%0.39135%0.348SS..Hα-helixtrans-66.9-42174.9-173.166.7179.4-178.50112A308 Q309 Y310 N316 L317 Q318A308-K312 PolarHBondContact O-N 3.3Å; A308-K312 VanDerWaalsContact O-N 3.11Å; Q309-K312 PolarHBondContact O-N 2.85Å; Y310-K312 PolarHBondContact O-N 2.84Å; K312-N316 WeakPolarHBondContact O-CA 3.4Å; K312-N316 PolarHBondContact O-N 3.42Å; K312-L317 WeakPolarHBondContact CA-O 3.41Å; K312-L317 PolarHBondContact N-O 2.88Å; K312-Q318 HydrophobicContact CD-CB 4.04Å; K312-Q318 VanDerWaalsContact NZ-OE1 3.12Å
313Q93.1Very high95.3Very high149 Ų14969.5 Ų69.570%0.69633%0.331SS*.Hα-helixtrans-78.1-47.4-178.2-69.6175.8-7.400112.8Q309 Y310Q309-Q313 WeakPolarHBondContact O-CB 3.48Å; Q309-Q313 WeakPolarHBondContact O-CG 3.24Å; Q309-Q313 PolarHBondContact O-N 2.99Å; Y310-Q313 PolarHBondContact O-N 3.38Å
314K92.5Very high95.5Very high137 Ų13767.5 Ų67.560%0.59632%0.318SS*.Hα-helixtrans-79.6-36.2-172.4-17460.9177.2179.80113.7Y310Y310-K314 HydrophobicContact CD2-CB 4.28Å; Y310-K314 HydrophobicContact CE2-CB 3.97Å; Y310-K314 HydrophobicContact CE2-CG 4.12Å; Y310-K314 VanDerWaalsContact O-CB 3.24Å; Y310-K314 WeakPolarHBondContact O-CB 3.42Å; Y310-K314 PolarHBondContact O-N 2.86Å
315Y93Very high95.6Very high84 Ų8462.2 Ų62.233%0.32929%0.294SS..Hα-helixtrans-118.75.2-173.2-56.8-70.8000113.4H270 Y310 F311 L317H270-Y315 AromaticContact CD2-CD1 3.95Å; H270-Y315 AromaticContact CD2-CD2 3.86Å; H270-Y315 AromaticContact CD2-CE1 3.89Å; H270-Y315 AromaticContact CD2-CE2 3.81Å; H270-Y315 AromaticContact CD2-CG 3.95Å; H270-Y315 AromaticContact CD2-CZ 3.83Å; H270-Y315 AromaticContact NE2-CE2 3.88Å; H270-Y315 AromaticContact NE2-CZ 3.85Å; Y310-Y315 HydrophobicContact CD1-CE2 4.43Å; Y310-Y315 HydrophobicContact CE1-CD2 4.49Å; Y310-Y315 AromaticContact CE1-CE2 3.67Å; Y310-Y315 HydrophobicContact CE1-CE2 3.67Å; F311-Y315 AromaticContact CD1-CD2 3.84Å; F311-Y315 HydrophobicContact CD1-CD2 3.84Å; F311-Y315 HydrophobicContact CD1-CE2 4.43Å; F311-Y315 HydrophobicContact CE1-CD2 4.1Å; F311-Y315 HydrophobicContact CE1-CE2 4.3Å; F311-Y315 HydrophobicContact CG-CD2 4.27Å; F311-Y315 PolarHBondContact O-N 2.9Å; Y315-L317 PolarHBondContact O-N 3.46Å; Y315-L317 VanDerWaalsContact O-N 3.13Å
316N94Very high95.8Very high130 Ų13061.9 Ų61.970%0.69529%0.292SS*.  trans50.632.6-172.5-161.421000113.3F311 K312F311-N316 PolarHBondContact O-N 3.03Å; K312-N316 WeakPolarHBondContact O-CA 3.4Å; K312-N316 PolarHBondContact O-N 3.42Å
317L95Very high95.8Very high44 Ų4461 Ų6123%0.2329%0.286CS..  trans-107.6110.5-172.2-164.7157.3000109.9H270 F311 K312 Y315 L319 V342H270-L317 HydrophobicContact CB-CD1 3.78Å; F311-L317 CarbonylContact C-O 3.57Å; F311-L317 PolarHBondContact O-N 3.27Å; F311-L317 VanDerWaalsContact O-N 3.1Å; K312-L317 WeakPolarHBondContact CA-O 3.41Å; K312-L317 PolarHBondContact N-O 2.88Å; Y315-L317 PolarHBondContact O-N 3.46Å; Y315-L317 VanDerWaalsContact O-N 3.13Å; L317-L319 HydrophobicContact CD2-CD2 3.63Å; L317-V342 HydrophobicContact CD1-CG1 3.98Å; L317-V342 HydrophobicContact CD2-CG1 4.27Å
318Q96.6Very high95.8Very high143 Ų14362 Ų6267%0.66829%0.291SS*.  trans-84.7117.8173.3-176.3163.1-1300110.1K312 K320K312-Q318 HydrophobicContact CD-CB 4.04Å; K312-Q318 VanDerWaalsContact NZ-OE1 3.12Å; Q318-K320 PolarHBondContact O-N 2.83Å
319L96Very high95.8Very high19 Ų1961 Ų6110%0.09928%0.283CS..  trans-67.5133.6-178.5-61.1178.7000111.2A288 A308 L317 P322 P339 E341A288-L319 HydrophobicContact CB-CD1 3.95Å; A308-L319 HydrophobicContact CB-CD1 3.94Å; L317-L319 HydrophobicContact CD2-CD2 3.63Å; L319-P322 HydrophobicContact CB-CB 4.29Å; L319-P339 HydrophobicContact CD1-CB 4.18Å; L319-P339 HydrophobicContact CD1-CG 3.93Å; L319-P339 HydrophobicContact CD2-CB 3.79Å; L319-P339 HydrophobicContact CD2-CG 3.81Å; L319-E341 WeakPolarHBondContact CA-OE1 3.46Å; L319-E341 HydrophobicContact CD2-CG 3.95Å; L319-E341 WeakPolarHBondContact CD2-OE1 3.49Å
320K94.9Very high95.5Very high168 Ų16858.4 Ų58.473%0.7328%0.284SS*.SBendtrans-76.7-35.8173.8-66.6-175.2178.9-175.80111.8Q318 P322 E341Q318-K320 PolarHBondContact O-N 2.83Å; K320-P322 VanDerWaalsContact O-CD 3.23Å; K320-P322 WeakPolarHBondContact O-CD 3.45Å; K320-E341 PolarHBondContact N-OE1 3.03Å; K320-E341 PolarHBondContact N-OE2 3.04Å; K320-E341 VanDerWaalsContact N-OE2 3.15Å
321Y95.1Very high95Very high43 Ų4361.3 Ų61.317%0.16930%0.299CS..  trans-12056.6-175.3-51.1-74.3000112.5I230 I242 D243 H323 L324 E341I230-Y321 HydrophobicContact CD1-CD2 4.11Å; I230-Y321 HydrophobicContact CG1-CD2 4.48Å; I242-Y321 HydrophobicContact CG1-CD1 4.23Å; I242-Y321 HydrophobicContact CG1-CE1 4.1Å; I242-Y321 HydrophobicContact CG2-CE1 3.76Å; D243-Y321 VanDerWaalsContact OD1-CE1 3.22Å; D243-Y321 WeakPolarHBondContact OD1-CE1 3.33Å; D243-Y321 PolarHBondContact OD1-OH 2.8Å; Y321-H323 AromaticContact CD1-CE1 3.98Å; Y321-H323 PolarHBondContact O-N 2.93Å; Y321-H323 VanDerWaalsContact O-N 3.11Å; Y321-L324 HydrophobicContact CG-CD1 4.13Å; Y321-L324 WeakPolarHBondContact O-CB 3.49Å; Y321-L324 PolarHBondContact O-N 2.68Å; Y321-E341 HydrophobicContact CD2-CB 4.23Å; Y321-E341 WeakPolarHBondContact CD2-OE2 3.31Å; Y321-E341 PolarHBondContact N-OE2 2.84Å
322P95.9Very high94.5Very high43 Ų4366 Ų6628%0.27932%0.321SS..THydrogen-bonded Turntrans-67.4-15-176.329.9-36.7000113.6A288 S289 L319 K320 L324A288-P322 PolarHBondContact N-O 3.5Å; S289-P322 PolarHBondContact N-O 2.94Å; S289-P322 PolarHBondContact OG-O 3.12Å; L319-P322 HydrophobicContact CB-CB 4.29Å; K320-P322 VanDerWaalsContact O-CD 3.23Å; K320-P322 WeakPolarHBondContact O-CD 3.45Å; P322-L324 VanDerWaalsContact C-N 3.32Å
323H94.3Very high94Very high38 Ų3869 Ų6918%0.17634%0.337CS..THydrogen-bonded Turntrans-79.8-9.4175.360.8-88000113.5K247 T248 P287 Y321K247-H323 PolarHBondContact O-CD2 2.58Å; T248-H323 WeakPolarHBondContact CG2-O 3.33Å; P287-H323 VanDerWaalsContact CB-O 3.3Å; P287-H323 WeakPolarHBondContact CB-O 3.42Å; Y321-H323 AromaticContact CD1-CE1 3.98Å; Y321-H323 PolarHBondContact O-N 2.93Å; Y321-H323 VanDerWaalsContact O-N 3.11Å
324L96.1Very high94Very high3 Ų367.4 Ų67.42%0.01633%0.328CS..SBendtrans-85.4155.2175.1-67.1-178.2000111.4I230 M233 I242 L249 P287 A288 Y321 P322 L340I230-L324 HydrophobicContact CD1-CD1 3.58Å; M233-L324 HydrophobicContact CE-CD1 3.85Å; M233-L324 HydrophobicContact CE-CD2 4.15Å; M233-L324 HydrophobicContact SD-CD2 4.43Å; I242-L324 HydrophobicContact CD1-CD1 4.36Å; I242-L324 HydrophobicContact CG1-CD1 4.48Å; L249-L324 HydrophobicContact CD2-CD2 4.3Å; L249-L324 HydrophobicContact CG-CD2 4.26Å; P287-L324 CarbonylContact C-O 3.52Å; P287-L324 WeakPolarHBondContact CA-O 3.36Å; A288-L324 PolarHBondContact N-O 3.3Å; Y321-L324 HydrophobicContact CG-CD1 4.13Å; Y321-L324 WeakPolarHBondContact O-CB 3.49Å; Y321-L324 PolarHBondContact O-N 2.68Å; P322-L324 VanDerWaalsContact C-N 3.32Å; L324-L340 HydrophobicContact CB-CD1 4Å; L324-L340 HydrophobicContact CD1-CD1 4.08Å
325P97.4Very high94Very high8 Ų865.7 Ų65.75%0.05232%0.321CS..EExtended strand (participates in β ladder)trans-68.9172.9177.431-37.1000112.5L249 V283 T284 L340L249-P325 HydrophobicContact CD1-CG 4.03Å; V283-P325 HydrophobicContact CG1-CB 3.75Å; V283-P325 HydrophobicContact CG1-CG 3.75Å; T284-P325 VanDerWaalsContact O-CB 3.25Å; T284-P325 WeakPolarHBondContact O-CB 3.49Å; P325-L340 HydrophobicContact CG-CD1 4.48Å; P325-L340 VanDerWaalsContact O-CG 3.31Å; P325-L340 WeakPolarHBondContact O-CG 3.33Å
326C98.3Very high94.1Very high0 Ų064.4 Ų64.40%032%0.322CS..EExtended strand (participates in β ladder)trans-103.8155.5172.8-56.60000111.3V283 T284 A288 L338V283-C326 WeakPolarHBondContact CA-O 3.48Å; T284-C326 HydrophobicContact CG2-CB 3.99Å; T284-C326 PolarHBondContact N-O 2.85Å; T284-C326 PolarHBondContact OG1-N 2.57Å; T284-C326 PolarHBondContact OG1-O 3.37Å; A288-C326 VanDerWaalsContact CA-SG 3.6Å; A288-C326 VanDerWaalsContact CB-SG 3.59Å; C326-L338 CarbonylContact C-O 3.57Å; C326-L338 WeakPolarHBondContact CA-O 3.27Å; C326-L338 WeakPolarHBondContact CB-O 3.43Å
327L98.3Very high94.3Very high0 Ų059.9 Ų59.90%030%0.296CS..EExtended strand (participates in β ladder)trans-81.7125.5164-54.1-177.6000109V229 F257 I261 V266 V280 V283 V329 Y337 L338 L340 C343V229-L327 HydrophobicContact CG1-CD1 4.23Å; V229-L327 HydrophobicContact CG2-CD1 4.25Å; F257-L327 HydrophobicContact CE1-CD2 4.18Å; F257-L327 HydrophobicContact CZ-CD2 4.25Å; I261-L327 HydrophobicContact CD1-CD1 4.08Å; I261-L327 HydrophobicContact CD1-CD2 3.82Å; I261-L327 HydrophobicContact CG2-CD2 4.34Å; V266-L327 HydrophobicContact CG1-CD1 4.01Å; V266-L327 HydrophobicContact CG2-CD1 4.19Å; V280-L327 HydrophobicContact CG1-CB 4.35Å; V280-L327 HydrophobicContact CG1-CD2 4.26Å; V280-L327 HydrophobicContact CG2-CB 4.44Å; V280-L327 HydrophobicContact CG2-CD1 3.88Å; V283-L327 HydrophobicContact CG2-CD2 4.14Å; L327-V329 HydrophobicContact CB-CG1 4.21Å; L327-Y337 CarbonylContact O-C 3.59Å; L327-Y337 WeakPolarHBondContact O-CA 3.35Å; L327-L338 PolarHBondContact N-O 2.91Å; L327-L338 PolarHBondContact O-N 2.85Å; L327-L340 HydrophobicContact CD1-CD2 4.48Å; L327-L340 HydrophobicContact CD2-CD2 3.49Å; L327-L340 VanDerWaalsContact CD2-CD2 3.49Å; L327-L340 HydrophobicContact CG-CD2 3.69Å; L327-C343 HydrophobicContact CD1-CB 4.23Å
328Q97.9Very high94.5Very high22 Ų2258.2 Ų58.210%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-84.9129.9163.6-167.6-173.78.700108.4C281 N282 E332 K334 T336 Y337C281-Q328 PolarHBondContact N-O 2.96Å; C281-Q328 VanDerWaalsContact SG-C 3.55Å; C281-Q328 PolarHBondContact SG-O 3.3Å; N282-Q328 HydrophobicContact CB-CB 3.94Å; N282-Q328 VanDerWaalsContact CB-OE1 3.31Å; N282-Q328 PolarHBondContact N-O 2.98Å; N282-Q328 PolarHBondContact O-N 3.46Å; Q328-E332 PolarHBondContact NE2-O 2.96Å; Q328-K334 PolarHBondContact NE2-O 3.27Å; Q328-T336 WeakPolarHBondContact CA-O 3.43Å; Q328-Y337 HydrophobicContact CB-CD1 4Å; Q328-Y337 HydrophobicContact CB-CE1 4.01Å; Q328-Y337 HydrophobicContact CG-CD1 4.01Å; Q328-Y337 HydrophobicContact CG-CE1 3.7Å
329V96Very high94.5Very high1 Ų151.6 Ų51.61%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-130.9156.3-174.8-63.30000113.2V266 Y278 R279 V280 L327 T336 L338V266-V329 HydrophobicContact CG2-CG1 4.3Å; Y278-V329 HydrophobicContact CD1-CB 4.22Å; Y278-V329 HydrophobicContact CD1-CG2 3.7Å; Y278-V329 HydrophobicContact CE1-CG2 4.29Å; Y278-V329 HydrophobicContact CG-CB 4.22Å; Y278-V329 HydrophobicContact CG-CG2 3.87Å; R279-V329 WeakPolarHBondContact O-CA 3.35Å; V280-V329 HydrophobicContact CG2-CG1 4.21Å; L327-V329 HydrophobicContact CB-CG1 4.21Å; V329-T336 HydrophobicContact CG2-CG2 3.63Å; V329-T336 PolarHBondContact N-O 3.38Å; V329-L338 HydrophobicContact CG1-CD1 3.99Å; V329-L338 HydrophobicContact CG2-CD1 3.84Å; V329-L338 HydrophobicContact CG2-CG 4.07Å
330G90.7Very high94.6Very high49 Ų4950.9 Ų50.951%0.50525%0.252SS..SBendtrans83.2-127.8178.600000112.3R279R279-G330 PolarHBondContact O-N 3.33Å; R279-G330 VanDerWaalsContact O-N 3.08Å
331Q86.4Confident94.7Very high111 Ų11145 Ų4552%0.51923%0.228SC..  trans-81.8128.6179-69.2176.8-7.300109.7Q333 K334Q331-Q333 PolarHBondContact O-N 2.88Å; Q331-K334 HydrophobicContact CB-CB 4.28Å; Q331-K334 HydrophobicContact CB-CD 4.25Å; Q331-K334 HydrophobicContact CB-CG 4.08Å; Q331-K334 PolarHBondContact O-N 3.34Å
332E85.8Confident94.7Very high103 Ų10343.2 Ų43.248%0.48122%0.221SC..THydrogen-bonded Turntrans-61.1-26.1-179.1-74.7-174.4169.900112.8K262 C281 Q328 K334K262-E332 IonicContact NZ-OE1 2.77Å; K262-E332 PolarHBondContact NZ-OE1 3.49Å; C281-E332 HydrophobicContact CB-CG 3.45Å; C281-E332 VanDerWaalsContact CB-CG 3.45Å; Q328-E332 PolarHBondContact NE2-O 2.96Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 3.15Å
333Q87.5Confident94.8Very high154 Ų15441.1 Ų41.172%0.7221%0.208SC*.THydrogen-bonded Turntrans-77.8-8.8176.2-53.985.3-300113.4Q331Q331-Q333 PolarHBondContact O-N 2.88Å
334K91.6Very high95Very high116 Ų11641.6 Ų41.650%0.50421%0.211SC..SBendtrans-103.5161.8179-69.4-171.3172.9179.60111.3Q328 Q331 E332Q328-K334 PolarHBondContact NE2-O 3.27Å; Q331-K334 HydrophobicContact CB-CB 4.28Å; Q331-K334 HydrophobicContact CB-CD 4.25Å; Q331-K334 HydrophobicContact CB-CG 4.08Å; Q331-K334 PolarHBondContact O-N 3.34Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 3.15Å
335H92.4Very high95Very high100 Ų10041.5 Ų41.546%0.46321%0.211SC..  trans-105.643.2-171.1-47.4102.5000112.3F293 Y337F293-H335 HydrophobicContact CB-CB 3.98Å; H335-Y337 HydrophobicContact CB-CE2 3.83Å; H335-Y337 WeakPolarHBondContact O-CD2 3.42Å; H335-Y337 PolarHBondContact O-N 3.5Å
336T96.1Very high94.9Very high57 Ų5741.6 Ų41.635%0.3521%0.211SC..  trans-88.8106.3177.8-51.60000110Q328 V329Q328-T336 WeakPolarHBondContact CA-O 3.43Å; V329-T336 HydrophobicContact CG2-CG2 3.63Å; V329-T336 PolarHBondContact N-O 3.38Å
337Y98.1Very high94.7Very high36 Ų3644.3 Ų44.314%0.14123%0.234CC..EExtended strand (participates in β ladder)trans-114.1133.8-177.7-53.7-60.1000111.4T284 Q291 T292 F293 V307 L327 Q328 H335T284-Y337 HydrophobicContact CG2-CD1 3.6Å; T284-Y337 HydrophobicContact CG2-CE1 3.75Å; T284-Y337 HydrophobicContact CG2-CG 4.41Å; Q291-Y337 HydrophobicContact CG-CD2 4.03Å; Q291-Y337 HydrophobicContact CG-CE2 4.25Å; Q291-Y337 HydrophobicContact CG-CG 4.22Å; T292-Y337 WeakPolarHBondContact O-CE2 3.21Å; F293-Y337 HydrophobicContact CB-CD2 4.09Å; F293-Y337 HydrophobicContact CB-CE2 3.94Å; F293-Y337 HydrophobicContact CD1-CD2 4.43Å; V307-Y337 HydrophobicContact CG2-CD2 4.23Å; V307-Y337 HydrophobicContact CG2-CG 4.38Å; L327-Y337 CarbonylContact O-C 3.59Å; L327-Y337 WeakPolarHBondContact O-CA 3.35Å; Q328-Y337 HydrophobicContact CB-CD1 4Å; Q328-Y337 HydrophobicContact CB-CE1 4.01Å; Q328-Y337 HydrophobicContact CG-CD1 4.01Å; Q328-Y337 HydrophobicContact CG-CE1 3.7Å; H335-Y337 HydrophobicContact CB-CE2 3.83Å; H335-Y337 WeakPolarHBondContact O-CD2 3.42Å; H335-Y337 PolarHBondContact O-N 3.5Å
338L98Very high94.4Very high9 Ų945.3 Ų45.35%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-120.1127.5177.2-60.1176000110.1V268 Y278 F311 C326 L327 V329V268-L338 HydrophobicContact CG1-CD1 3.78Å; V268-L338 HydrophobicContact CG1-CD2 4.1Å; Y278-L338 HydrophobicContact CD2-CD1 3.92Å; Y278-L338 HydrophobicContact CE2-CD1 4.31Å; Y278-L338 HydrophobicContact CG-CD1 4.37Å; F311-L338 HydrophobicContact CZ-CD2 4.49Å; C326-L338 CarbonylContact C-O 3.57Å; C326-L338 WeakPolarHBondContact CA-O 3.27Å; C326-L338 WeakPolarHBondContact CB-O 3.43Å; L327-L338 PolarHBondContact N-O 2.91Å; L327-L338 PolarHBondContact O-N 2.85Å; V329-L338 HydrophobicContact CG1-CD1 3.99Å; V329-L338 HydrophobicContact CG2-CD1 3.84Å; V329-L338 HydrophobicContact CG2-CG 4.07Å
339P98.1Very high94.2Very high3 Ų345.1 Ų45.12%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-56.3145.9167.2-23.732.9000111.7V307 F311 L319 E341 V342 C343V307-P339 HydrophobicContact CG1-CG 3.66Å; F311-P339 HydrophobicContact CD1-CG 4.47Å; F311-P339 HydrophobicContact CD2-CG 3.94Å; F311-P339 HydrophobicContact CE1-CG 4.38Å; F311-P339 HydrophobicContact CE2-CG 3.84Å; F311-P339 HydrophobicContact CG-CG 4.26Å; F311-P339 VanDerWaalsContact CZ-CD 3.45Å; F311-P339 HydrophobicContact CZ-CG 4.07Å; L319-P339 HydrophobicContact CD1-CB 4.18Å; L319-P339 HydrophobicContact CD1-CG 3.93Å; L319-P339 HydrophobicContact CD2-CB 3.79Å; L319-P339 HydrophobicContact CD2-CG 3.81Å; P339-E341 VanDerWaalsContact C-N 3.28Å; P339-E341 HydrophobicContact CB-CG 4.25Å; P339-E341 PolarHBondContact O-N 3.26Å; P339-V342 HydrophobicContact CB-CG2 4.12Å; P339-V342 HydrophobicContact CG-CG2 4.27Å; P339-V342 VanDerWaalsContact O-CG2 3.26Å; P339-V342 WeakPolarHBondContact O-CG2 3.47Å; P339-V342 PolarHBondContact O-N 3.02Å; P339-C343 PolarHBondContact O-SG 3.12Å; P339-C343 VanDerWaalsContact O-SG 3.34Å
340L97.7Very high94.1Very high4 Ų450.7 Ų50.72%0.02126%0.264CS..G310 helixtrans-61.2-38.3-178.5-55.9-175.3000112.1V229 I230 M233 F257 L324 P325 L327 V342 C343V229-L340 HydrophobicContact CG1-CB 4.1Å; V229-L340 HydrophobicContact CG1-CD2 3.87Å; V229-L340 HydrophobicContact CG1-CG 4.45Å; I230-L340 HydrophobicContact CD1-CB 3.52Å; I230-L340 HydrophobicContact CD1-CD1 4.27Å; I230-L340 HydrophobicContact CG1-CB 4.23Å; M233-L340 HydrophobicContact SD-CD1 3.77Å; F257-L340 HydrophobicContact CE1-CD1 4.41Å; F257-L340 HydrophobicContact CE1-CD2 4.1Å; F257-L340 HydrophobicContact CZ-CD2 4.16Å; L324-L340 HydrophobicContact CB-CD1 4Å; L324-L340 HydrophobicContact CD1-CD1 4.08Å; P325-L340 HydrophobicContact CG-CD1 4.48Å; P325-L340 VanDerWaalsContact O-CG 3.31Å; P325-L340 WeakPolarHBondContact O-CG 3.33Å; L327-L340 HydrophobicContact CD1-CD2 4.48Å; L327-L340 HydrophobicContact CD2-CD2 3.49Å; L327-L340 VanDerWaalsContact CD2-CD2 3.49Å; L327-L340 HydrophobicContact CG-CD2 3.69Å; L340-V342 PolarHBondContact O-N 2.78Å; L340-C343 PolarHBondContact O-N 3.39Å
341E96.2Very high94.2Very high46 Ų4648.8 Ų48.822%0.21524%0.243CC..G310 helixtrans-70.2-13.9-175.962.5-173.3-109.300115I230 L319 K320 Y321 P339I230-E341 HydrophobicContact CG1-CB 4.24Å; L319-E341 WeakPolarHBondContact CA-OE1 3.46Å; L319-E341 HydrophobicContact CD2-CG 3.95Å; L319-E341 WeakPolarHBondContact CD2-OE1 3.49Å; K320-E341 PolarHBondContact N-OE1 3.03Å; K320-E341 PolarHBondContact N-OE2 3.04Å; K320-E341 VanDerWaalsContact N-OE2 3.15Å; Y321-E341 HydrophobicContact CD2-CB 4.23Å; Y321-E341 WeakPolarHBondContact CD2-OE2 3.31Å; Y321-E341 PolarHBondContact N-OE2 2.84Å; P339-E341 VanDerWaalsContact C-N 3.28Å; P339-E341 HydrophobicContact CB-CG 4.25Å; P339-E341 PolarHBondContact O-N 3.26Å
342V96.6Very high94.3Very high4 Ų448 Ų482%0.02424%0.241CC..G310 helixtrans-101.414.1176.3-570000113V268 T269 H270 F311 L317 P339 L340V268-V342 VanDerWaalsContact CA-O 3.3Å; V268-V342 WeakPolarHBondContact CA-O 3.46Å; T269-V342 PolarHBondContact N-O 3.27Å; T269-V342 WeakPolarHBondContact OG1-CA 3.35Å; T269-V342 PolarHBondContact OG1-O 3.05Å; H270-V342 HydrophobicContact CB-CB 4.31Å; H270-V342 HydrophobicContact CB-CG1 4.2Å; F311-V342 HydrophobicContact CD1-CG1 4.44Å; F311-V342 HydrophobicContact CE1-CB 4.49Å; F311-V342 HydrophobicContact CE1-CG1 4.16Å; F311-V342 HydrophobicContact CE1-CG2 3.93Å; F311-V342 HydrophobicContact CZ-CG2 4.16Å; L317-V342 HydrophobicContact CD1-CG1 3.98Å; L317-V342 HydrophobicContact CD2-CG1 4.27Å; P339-V342 HydrophobicContact CB-CG2 4.12Å; P339-V342 HydrophobicContact CG-CG2 4.27Å; P339-V342 VanDerWaalsContact O-CG2 3.26Å; P339-V342 WeakPolarHBondContact O-CG2 3.47Å; P339-V342 PolarHBondContact O-N 3.02Å; L340-V342 PolarHBondContact O-N 2.78Å
343C97.6Very high94.3Very high0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-126.1135.1-174.6-63.80000112V229 V266 E267 L327 P339 L340V229-C343 HydrophobicContact CB-CB 4.11Å; V229-C343 WeakPolarHBondContact CB-O 3.31Å; V229-C343 HydrophobicContact CG2-CB 3.56Å; V229-C343 WeakPolarHBondContact CG2-O 3.47Å; V229-C343 PolarHBondContact N-O 3.45Å; V266-C343 HydrophobicContact CB-CB 4.29Å; E267-C343 WeakPolarHBondContact O-CA 3.33Å; L327-C343 HydrophobicContact CD1-CB 4.23Å; P339-C343 PolarHBondContact O-SG 3.12Å; P339-C343 VanDerWaalsContact O-SG 3.34Å; L340-C343 PolarHBondContact O-N 3.39Å
344N97.5Very high94.3Very high47 Ų4746.2 Ų46.225%0.25123%0.23SC..EExtended strand (participates in β ladder)trans-111.4145.8166.6-69.3-18.5000110.5Q227 P228 V266 E267 T269 V346Q227-N344 CarbonylContact O-C 3.48Å; Q227-N344 WeakPolarHBondContact O-CA 3.38Å; P228-N344 WeakPolarHBondContact CA-OD1 3.03Å; V266-N344 CarbonylContact C-O 3.32Å; V266-N344 WeakPolarHBondContact CA-O 3.4Å; V266-N344 WeakPolarHBondContact CB-O 3.49Å; E267-N344 HydrophobicContact CG-CB 3.99Å; E267-N344 PolarHBondContact N-O 2.82Å; E267-N344 PolarHBondContact O-N 3.13Å; T269-N344 WeakPolarHBondContact CG2-ND2 3.45Å; N344-V346 PolarHBondContact O-N 2.93Å
345I97.7Very high94.2Very high2 Ų241.9 Ų41.91%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-67.5124.4167.9-58.9-65.9000108.5K225 A226 Q227 V229 F232 I261 L264 V266 A347K225-I345 WeakPolarHBondContact O-CB 3.38Å; K225-I345 WeakPolarHBondContact O-CG2 3.47Å; A226-I345 WeakPolarHBondContact CA-O 3.48Å; Q227-I345 PolarHBondContact O-N 3.46Å; V229-I345 HydrophobicContact CG2-CD1 3.97Å; V229-I345 HydrophobicContact CG2-CG1 4.33Å; F232-I345 HydrophobicContact CB-CD1 4.5Å; F232-I345 HydrophobicContact CB-CG1 4.1Å; F232-I345 HydrophobicContact CD1-CD1 4.33Å; F232-I345 HydrophobicContact CD2-CD1 4.42Å; F232-I345 HydrophobicContact CD2-CG1 4.22Å; F232-I345 HydrophobicContact CG-CD1 4.15Å; F232-I345 HydrophobicContact CG-CG1 4.1Å; I261-I345 HydrophobicContact CD1-CD1 4.25Å; I261-I345 HydrophobicContact CG1-CD1 4.48Å; L264-I345 HydrophobicContact CD1-CD1 4.34Å; V266-I345 HydrophobicContact CG1-CD1 4.15Å; I345-A347 PolarHBondContact O-N 2.72Å
346V95.1Very high94Very high9 Ų940.6 Ų40.66%0.05521%0.211CC..PPolyproline II helixtrans-65.9135178.8178.10000110.1K265 E267 K277 N344 Q349K265-V346 HydrophobicContact CB-CB 4.18Å; K265-V346 HydrophobicContact CB-CG2 4.02Å; K265-V346 PolarHBondContact O-N 3.37Å; K265-V346 VanDerWaalsContact O-N 3.1Å; E267-V346 HydrophobicContact CB-CG2 3.94Å; E267-V346 HydrophobicContact CG-CG2 4.13Å; K277-V346 HydrophobicContact CD-CG1 4.35Å; K277-V346 HydrophobicContact CD-CG2 4.36Å; K277-V346 HydrophobicContact CG-CG2 4.12Å; N344-V346 PolarHBondContact O-N 2.93Å; V346-Q349 WeakPolarHBondContact O-CG 3.36Å; V346-Q349 PolarHBondContact O-NE2 3.11Å
347A92.9Very high93.5Very high57 Ų5742.1 Ų42.147%0.47122%0.217SC..SBendtrans-61.1159.5177.700000113.7A226 I345 Q349A226-A347 HydrophobicContact CB-CB 3.74Å; I345-A347 PolarHBondContact O-N 2.72Å; A347-Q349 VanDerWaalsContact C-N 3.3Å; A347-Q349 PolarHBondContact O-N 2.92Å
348G92.1Very high93Very high22 Ų2246.7 Ų46.723%0.22724%0.244CC..SBendtrans70.422.3172.800000114.6W198W198-G348 VanDerWaalsContact CH2-CA 3.43Å
349Q93.9Very high92.7Very high17 Ų1746.9 Ų46.98%0.07925%0.245CC..  trans-92.7108.5175.2-66.1-171.995.200111.1F223 Y224 K265 V346 A347 C351F223-Q349 WeakPolarHBondContact CA-O 3.32Å; F223-Q349 VanDerWaalsContact CD1-C 3.41Å; F223-Q349 WeakPolarHBondContact CD1-O 3.4Å; Y224-Q349 HydrophobicContact CD2-CB 4.25Å; Y224-Q349 WeakPolarHBondContact CD2-O 3.47Å; Y224-Q349 PolarHBondContact N-O 2.82Å; K265-Q349 VanDerWaalsContact CB-OE1 3.22Å; K265-Q349 PolarHBondContact O-NE2 3.03Å; V346-Q349 WeakPolarHBondContact O-CG 3.36Å; V346-Q349 PolarHBondContact O-NE2 3.11Å; A347-Q349 VanDerWaalsContact C-N 3.3Å; A347-Q349 PolarHBondContact O-N 2.92Å; Q349-C351 PolarHBondContact O-N 3.06Å
350R94Very high92.4Very high118 Ų11849.3 Ų49.345%0.44526%0.26SS..BIsolated β-bridgetrans-61.9134.3176.2179.2-176.9175.6-162.1-1.8111.3V176 F223 I352V176-R350 VanDerWaalsContact CG1-CD 3.45Å; F223-R350 HydrophobicContact CD1-CB 4.4Å; F223-R350 HydrophobicContact CE1-CB 4.07Å; F223-R350 HydrophobicContact CZ-CB 4.29Å; R350-I352 PolarHBondContact O-N 3.36Å
351C93.1Very high92Very high9 Ų951.7 Ų51.76%0.06128%0.277CS..  trans-75.7109.6168.3-175.70000110.1A222 Y224 Q349A222-C351 HydrophobicContact CB-CB 3.91Å; A222-C351 WeakPolarHBondContact O-CB 3.48Å; A222-C351 PolarHBondContact O-N 3.02Å; Y224-C351 HydrophobicContact CD2-CB 4.32Å; Y224-C351 HydrophobicContact CE2-CB 3.94Å; Q349-C351 PolarHBondContact O-N 3.06Å
352I88.1Confident91.8Very high94 Ų9452.3 Ų52.348%0.48228%0.284SS..  trans-91.2-19.3175.160.7173000112.5R350 A602R350-I352 PolarHBondContact O-N 3.36Å; I352-A602 HydrophobicContact CB-CB 4.29Å; I352-A602 WeakPolarHBondContact O-CB 3.23Å
353K86.7Confident91.6Very high57 Ų5753.9 Ų53.925%0.24829%0.291CS..SBendtrans-68.5149.5179.4-64.9179.9-173.31680109.5K259 E260 L355K259-K353 PolarHBondContact O-NZ 2.82Å; E260-K353 VanDerWaalsContact C-NZ 3.35Å; E260-K353 PolarHBondContact O-NZ 2.85Å; K353-L355 PolarHBondContact O-N 2.99Å
354K86.6Confident91.2Very high163 Ų16358 Ų5871%0.70931%0.313SS*.PPolyproline II helixtrans-62.5131.1177.2-170.5-177.9173.9-177.60109.2
355L89.1Confident90.7Very high26 Ų2663.3 Ų63.314%0.13633%0.333CS..PPolyproline II helixtrans-66.4149172.3-62.8-177.2000110.6L191 A222 K353 Q359 M363L191-L355 HydrophobicContact CD1-CD1 4.37Å; L191-L355 HydrophobicContact CD1-CD2 4.43Å; A222-L355 HydrophobicContact CB-CD1 4.29Å; A222-L355 HydrophobicContact CB-CD2 3.95Å; K353-L355 PolarHBondContact O-N 2.99Å; L355-Q359 HydrophobicContact CB-CB 3.91Å; L355-Q359 HydrophobicContact CD2-CB 4.33Å; L355-Q359 HydrophobicContact CG-CB 4.49Å; L355-M363 HydrophobicContact CD1-CB 4.36Å; L355-M363 HydrophobicContact CD1-SD 3.48Å; L355-M363 WeakPolarHBondContact CD1-SD 3.44Å
356T88.9Confident90.2Very high72 Ų7263.9 Ų63.944%0.44234%0.338SS..PPolyproline II helixtrans-66.6165.417069.30000110.4N358 Q359 T360T356-N358 PolarHBondContact O-N 3.14Å; T356-Q359 PolarHBondContact O-N 3.41Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.46Å; T356-Q359 VanDerWaalsContact OG1-CG 3.26Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.42Å; T356-Q359 PolarHBondContact OG1-N 2.81Å; T356-Q359 VanDerWaalsContact OG1-N 3.16Å; T356-Q359 PolarHBondContact OG1-OE1 2.84Å; T356-T360 WeakPolarHBondContact O-CB 3.43Å; T356-T360 PolarHBondContact O-N 2.97Å; T356-T360 PolarHBondContact O-OG1 2.96Å
357D85.9Confident89.9Confident90 Ų9065.6 Ų65.648%0.48135%0.349SS..Hα-helixtrans-62.6-36.5179.7-60.2-21.6000110.8T360 S361 K524D357-T360 PolarHBondContact O-N 3.38Å; D357-S361 WeakPolarHBondContact O-CB 3.13Å; D357-S361 PolarHBondContact O-N 2.97Å; D357-K524 IonicContact OD1-NZ 3.57Å; D357-K524 IonicContact OD2-NZ 3.74Å; D357-K524 PolarHBondContact OD2-NZ 3.12Å
358N87.6Confident89.7Confident131 Ų13164.6 Ų64.670%0.70134%0.34SS*.Hα-helixtrans-66.3-49.8174.3-71.6-7.2000111.8T356 T360 S361 T362T356-N358 PolarHBondContact O-N 3.14Å; N358-T360 VanDerWaalsContact C-N 3.27Å; N358-T360 PolarHBondContact O-N 3.35Å; N358-S361 WeakPolarHBondContact O-CB 3.3Å; N358-S361 PolarHBondContact O-N 3.06Å; N358-S361 VanDerWaalsContact O-N 3.13Å; N358-T362 PolarHBondContact O-N 3.49Å; N358-T362 PolarHBondContact O-OG1 3.4Å
359Q92.3Very high89.8Confident13 Ų1366.9 Ų66.96%0.06134%0.342CS..Hα-helixtrans-58.9-40176-75168.4-12.900111.9L191 G192 L355 T356 T362 M363L191-Q359 HydrophobicContact CB-CB 4.44Å; L191-Q359 HydrophobicContact CB-CG 4.12Å; L191-Q359 VanDerWaalsContact O-CG 3.23Å; L191-Q359 WeakPolarHBondContact O-CG 3.35Å; G192-Q359 PolarHBondContact O-NE2 3.36Å; L355-Q359 HydrophobicContact CB-CB 3.91Å; L355-Q359 HydrophobicContact CD2-CB 4.33Å; L355-Q359 HydrophobicContact CG-CB 4.49Å; T356-Q359 PolarHBondContact O-N 3.41Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.46Å; T356-Q359 VanDerWaalsContact OG1-CG 3.26Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.42Å; T356-Q359 PolarHBondContact OG1-N 2.81Å; T356-Q359 VanDerWaalsContact OG1-N 3.16Å; T356-Q359 PolarHBondContact OG1-OE1 2.84Å; Q359-T362 PolarHBondContact O-N 3.1Å; Q359-M363 VanDerWaalsContact O-CB 3.3Å; Q359-M363 WeakPolarHBondContact O-CB 3.14Å; Q359-M363 PolarHBondContact O-N 3.01Å
360T90.8Very high89.9Confident55 Ų5567.2 Ų67.234%0.33735%0.347SS..Hα-helixtrans-63.4-43.6176.5-57.30000110.8T356 D357 N358 M363 I364T356-T360 WeakPolarHBondContact O-CB 3.43Å; T356-T360 PolarHBondContact O-N 2.97Å; T356-T360 PolarHBondContact O-OG1 2.96Å; D357-T360 PolarHBondContact O-N 3.38Å; N358-T360 VanDerWaalsContact C-N 3.27Å; N358-T360 PolarHBondContact O-N 3.35Å; T360-M363 PolarHBondContact O-N 3Å; T360-I364 HydrophobicContact CG2-CD1 3.89Å; T360-I364 HydrophobicContact CG2-CG1 4.49Å; T360-I364 WeakPolarHBondContact O-CB 3.48Å; T360-I364 VanDerWaalsContact O-CG1 3.25Å; T360-I364 WeakPolarHBondContact O-CG1 3.43Å; T360-I364 PolarHBondContact O-N 2.87Å
361S88.9Confident90.1Very high54 Ų5461.7 Ų61.738%0.37833%0.326SS..Hα-helixtrans-60.4-47.9175.2-174.70000111.7D357 N358 M363 I364 K365D357-S361 WeakPolarHBondContact O-CB 3.13Å; D357-S361 PolarHBondContact O-N 2.97Å; N358-S361 WeakPolarHBondContact O-CB 3.3Å; N358-S361 PolarHBondContact O-N 3.06Å; N358-S361 VanDerWaalsContact O-N 3.13Å; S361-M363 PolarHBondContact O-N 2.98Å; S361-I364 PolarHBondContact O-N 2.89Å; S361-K365 WeakPolarHBondContact O-CG 3.38Å; S361-K365 PolarHBondContact O-N 2.94Å
362T91.8Very high90.3Very high59 Ų5962.8 Ų62.836%0.36233%0.333SS..Hα-helixtrans-61.3-44.9176.6-55.30000111.6L191 N358 Q359 I364 K365 A366L191-T362 HydrophobicContact CD2-CG2 3.95Å; N358-T362 PolarHBondContact O-N 3.49Å; N358-T362 PolarHBondContact O-OG1 3.4Å; Q359-T362 PolarHBondContact O-N 3.1Å; T362-I364 PolarHBondContact O-N 2.98Å; T362-K365 PolarHBondContact O-N 3.34Å; T362-A366 WeakPolarHBondContact O-CB 3.39Å; T362-A366 PolarHBondContact O-N 3.25Å
363M92.4Very high90.7Very high37 Ų3762.4 Ų62.418%0.18233%0.332CS..Hα-helixtrans-60.5-45.3176.5-175.1-178.8-17900111.5L191 V197 A220 L355 Q359 T360 S361 K365 A366 T367L191-M363 HydrophobicContact CD2-CB 3.96Å; V197-M363 HydrophobicContact CG2-CG 4.48Å; A220-M363 WeakPolarHBondContact O-CE 3.34Å; L355-M363 HydrophobicContact CD1-CB 4.36Å; L355-M363 HydrophobicContact CD1-SD 3.48Å; L355-M363 WeakPolarHBondContact CD1-SD 3.44Å; Q359-M363 VanDerWaalsContact O-CB 3.3Å; Q359-M363 WeakPolarHBondContact O-CB 3.14Å; Q359-M363 PolarHBondContact O-N 3.01Å; T360-M363 PolarHBondContact O-N 3Å; S361-M363 PolarHBondContact O-N 2.98Å; M363-K365 VanDerWaalsContact C-N 3.35Å; M363-K365 PolarHBondContact O-N 3.26Å; M363-A366 PolarHBondContact O-N 2.84Å; M363-T367 HydrophobicContact CG-CG2 4.41Å; M363-T367 WeakPolarHBondContact O-CB 3.26Å; M363-T367 VanDerWaalsContact O-CG2 3.25Å; M363-T367 WeakPolarHBondContact O-CG2 3.49Å; M363-T367 PolarHBondContact O-N 3.02Å; M363-T367 PolarHBondContact O-OG1 2.81Å
364I89.1Confident91.2Very high87 Ų8761.2 Ų61.245%0.44633%0.326SS..Hα-helixtrans-62.1-43.5177.3-71.1167.6000110.5T360 S361 T362 T367 A368T360-I364 HydrophobicContact CG2-CD1 3.89Å; T360-I364 HydrophobicContact CG2-CG1 4.49Å; T360-I364 WeakPolarHBondContact O-CB 3.48Å; T360-I364 VanDerWaalsContact O-CG1 3.25Å; T360-I364 WeakPolarHBondContact O-CG1 3.43Å; T360-I364 PolarHBondContact O-N 2.87Å; S361-I364 PolarHBondContact O-N 2.89Å; T362-I364 PolarHBondContact O-N 2.98Å; I364-T367 PolarHBondContact O-N 3.28Å; I364-A368 WeakPolarHBondContact O-CB 3.36Å; I364-A368 PolarHBondContact O-N 2.93Å
365K88.1Confident91.8Very high158 Ų15854.9 Ų54.969%0.68730%0.299SS*.Hα-helixtrans-62.8-42.9177.9-72.5175.8-178-176.10112.3S361 T362 M363 T367S361-K365 WeakPolarHBondContact O-CG 3.38Å; S361-K365 PolarHBondContact O-N 2.94Å; T362-K365 PolarHBondContact O-N 3.34Å; M363-K365 VanDerWaalsContact C-N 3.35Å; M363-K365 PolarHBondContact O-N 3.26Å; K365-T367 VanDerWaalsContact C-N 3.31Å; K365-T367 PolarHBondContact O-N 2.87Å
366A86.9Confident92.2Very high14 Ų1458.6 Ų58.612%0.11632%0.315CS..Hα-helixtrans-67.5-31.518000000112.8H189 T362 M363 R369H189-A366 HydrophobicContact CB-CB 4.5Å; T362-A366 WeakPolarHBondContact O-CB 3.39Å; T362-A366 PolarHBondContact O-N 3.25Å; M363-A366 PolarHBondContact O-N 2.84Å; A366-R369 PolarHBondContact O-NH1 3.34Å; A366-R369 PolarHBondContact O-NH2 2.87Å
367T89.1Confident92.5Very high44 Ų4457.5 Ų57.527%0.2731%0.305SS..Hα-helixtrans-108.5-9.6-169.462.20000114.3V197 F199 A220 M363 I364 K365 R369V197-T367 HydrophobicContact CG1-CG2 4.07Å; F199-T367 HydrophobicContact CE1-CG2 4.09Å; F199-T367 HydrophobicContact CZ-CG2 4.26Å; A220-T367 HydrophobicContact CB-CG2 3.36Å; M363-T367 HydrophobicContact CG-CG2 4.41Å; M363-T367 WeakPolarHBondContact O-CB 3.26Å; M363-T367 VanDerWaalsContact O-CG2 3.25Å; M363-T367 WeakPolarHBondContact O-CG2 3.49Å; M363-T367 PolarHBondContact O-N 3.02Å; M363-T367 PolarHBondContact O-OG1 2.81Å; I364-T367 PolarHBondContact O-N 3.28Å; K365-T367 VanDerWaalsContact C-N 3.31Å; K365-T367 PolarHBondContact O-N 2.87Å; T367-R369 PolarHBondContact O-N 3.46Å
368A88.9Confident93Very high36 Ų3653.2 Ų53.230%0.29828%0.283SS..  trans-66.8115.8174.900000109.6I364I364-A368 WeakPolarHBondContact O-CB 3.36Å; I364-A368 PolarHBondContact O-N 2.93Å
369R93.1Very high93.4Very high70 Ų7048.3 Ų48.326%0.26426%0.258SS..  trans-123.7137.2174.1-65.4-64.5-175.8-90.1-3.4109.2A366 T367 D373 R374 E377 G757 T758A366-R369 PolarHBondContact O-NH1 3.34Å; A366-R369 PolarHBondContact O-NH2 2.87Å; T367-R369 PolarHBondContact O-N 3.46Å; R369-D373 HydrophobicContact CB-CB 4.32Å; R369-R374 HydrophobicContact CB-CB 4.2Å; R369-E377 VanDerWaalsContact CD-OE1 3.31Å; R369-E377 WeakPolarHBondContact CD-OE1 3.47Å; R369-E377 IonicContact CZ-OE1 3.6Å; R369-E377 IonicContact NE-OE1 2.73Å; R369-E377 PolarHBondContact NE-OE1 3.44Å; R369-G757 CarbonylContact O-C 3.45Å; R369-G757 WeakPolarHBondContact O-CA 3.48Å; R369-T758 PolarHBondContact O-N 3.18Å; R369-T758 PolarHBondContact O-OG1 2.62Å
370S96.9Very high93.5Very high25 Ų2553.7 Ų53.718%0.17528%0.278CS..  trans-59.9163.717375.60000110P372 D373 R374 T758S370-P372 WeakPolarHBondContact OG-CD 3.38Å; S370-D373 WeakPolarHBondContact CB-OD2 3.14Å; S370-D373 PolarHBondContact O-N 3.35Å; S370-D373 PolarHBondContact OG-N 3.11Å; S370-D373 PolarHBondContact OG-OD1 2.78Å; S370-D373 PolarHBondContact OG-OD2 3.24Å; S370-R374 WeakPolarHBondContact O-CB 3.24Å; S370-R374 PolarHBondContact O-N 3.16Å; S370-T758 PolarHBondContact O-OG1 3.5Å
371A97.8Very high93.7Very high2 Ų252.8 Ų52.82%0.01727%0.271CS..Hα-helixtrans-60-44.7177.100000112.3R374 Q375 F715 S726 T758A371-R374 PolarHBondContact O-N 2.78Å; A371-Q375 WeakPolarHBondContact O-CB 3.36Å; A371-Q375 PolarHBondContact O-N 2.84Å; A371-F715 HydrophobicContact CB-CD1 4.12Å; A371-F715 HydrophobicContact CB-CE1 4.42Å; A371-F715 WeakPolarHBondContact O-CD1 3.4Å; A371-F715 WeakPolarHBondContact O-CE1 3.4Å; A371-S726 PolarHBondContact N-O 3.36Å; A371-T758 HydrophobicContact CB-CG2 3.9Å
372P98.1Very high93.9Very high31 Ų3150.2 Ų50.220%0.20125%0.253CS..Hα-helixtrans-60.8-44.3173.8-2636000114S370 R374 Q375 E376 S726S370-P372 WeakPolarHBondContact OG-CD 3.38Å; P372-R374 VanDerWaalsContact C-N 3.33Å; P372-R374 PolarHBondContact O-N 3.07Å; P372-Q375 WeakPolarHBondContact O-CB 3.31Å; P372-Q375 PolarHBondContact O-N 3.43Å; P372-E376 PolarHBondContact O-N 3.39Å; P372-S726 WeakPolarHBondContact CD-O 3.42Å
373D97Very high93.9Very high86 Ų8653.3 Ų53.346%0.4626%0.261SS..Hα-helixtrans-64-41.9-179.6-57.3-32000111R369 S370 E376 E377R369-D373 HydrophobicContact CB-CB 4.32Å; S370-D373 WeakPolarHBondContact CB-OD2 3.14Å; S370-D373 PolarHBondContact O-N 3.35Å; S370-D373 PolarHBondContact OG-N 3.11Å; S370-D373 PolarHBondContact OG-OD1 2.78Å; S370-D373 PolarHBondContact OG-OD2 3.24Å; D373-E376 PolarHBondContact O-N 2.79Å; D373-E377 WeakPolarHBondContact O-CG 3.42Å; D373-E377 PolarHBondContact O-N 3.48Å
374R96.9Very high93.7Very high33 Ų3357.3 Ų57.313%0.12528%0.284CS..Hα-helixtrans-66.8-38.6177.8-169.6176.6-168.9162.810.5112D217 V218 R369 S370 A371 P372 E376 E377 I378 R713 F715 T758D217-R374 IonicContact OD1-CZ 3.16Å; D217-R374 IonicContact OD1-NE 2.79Å; D217-R374 PolarHBondContact OD1-NE 3.31Å; D217-R374 IonicContact OD1-NH2 3.3Å; D217-R374 PolarHBondContact OD1-NH2 3.04Å; D217-R374 IonicContact OD2-CZ 2.75Å; D217-R374 IonicContact OD2-NH2 3.62Å; D217-R374 PolarHBondContact OD2-NH2 3.15Å; V218-R374 HydrophobicContact CG2-CG 3.63Å; V218-R374 PolarHBondContact O-NH2 3.16Å; R369-R374 HydrophobicContact CB-CB 4.2Å; S370-R374 WeakPolarHBondContact O-CB 3.24Å; S370-R374 PolarHBondContact O-N 3.16Å; A371-R374 PolarHBondContact O-N 2.78Å; P372-R374 VanDerWaalsContact C-N 3.33Å; P372-R374 PolarHBondContact O-N 3.07Å; R374-E376 VanDerWaalsContact C-N 3.31Å; R374-E377 PolarHBondContact O-N 3.44Å; R374-I378 HydrophobicContact CG-CD1 4.08Å; R374-I378 VanDerWaalsContact O-CG1 3.26Å; R374-I378 WeakPolarHBondContact O-CG1 3.29Å; R374-I378 PolarHBondContact O-N 2.92Å; R374-R713 VanDerWaalsContact NH1-NE 3.15Å; R374-F715 HydrophobicContact CB-CE1 4.48Å; R374-T758 WeakPolarHBondContact CB-OG1 3.29Å; R374-T758 WeakPolarHBondContact CD-OG1 3.23Å
375Q98.1Very high93.7Very high30 Ų3055.3 Ų55.314%0.1428%0.28CS..Hα-helixtrans-57.1-49.5174.3-175.2-171.8-14.300109.9A371 P372 I378 S379 M404 F715A371-Q375 WeakPolarHBondContact O-CB 3.36Å; A371-Q375 PolarHBondContact O-N 2.84Å; P372-Q375 WeakPolarHBondContact O-CB 3.31Å; P372-Q375 PolarHBondContact O-N 3.43Å; Q375-I378 PolarHBondContact O-N 3.4Å; Q375-S379 PolarHBondContact O-N 3.44Å; Q375-S379 PolarHBondContact O-OG 2.81Å; Q375-S379 VanDerWaalsContact O-OG 3.14Å; Q375-M404 HydrophobicContact CG-CE 3.89Å; Q375-M404 HydrophobicContact CG-SD 3.93Å; Q375-F715 HydrophobicContact CB-CD1 3.73Å; Q375-F715 HydrophobicContact CB-CD2 4.21Å; Q375-F715 HydrophobicContact CB-CE1 3.81Å; Q375-F715 HydrophobicContact CB-CE2 4.28Å; Q375-F715 HydrophobicContact CB-CG 3.93Å; Q375-F715 HydrophobicContact CB-CZ 4.09Å; Q375-F715 HydrophobicContact CG-CB 4.35Å; Q375-F715 HydrophobicContact CG-CD1 4.28Å; Q375-F715 HydrophobicContact CG-CD2 3.99Å; Q375-F715 HydrophobicContact CG-CE2 4.34Å; Q375-F715 HydrophobicContact CG-CG 3.95Å
376E97.3Very high93.8Very high103 Ų10351.3 Ų51.348%0.48127%0.266SS..Hα-helixtrans-63.7-42.6178.9-175.158.6-14900112.4P372 D373 R374 I378 S379 R380P372-E376 PolarHBondContact O-N 3.39Å; D373-E376 PolarHBondContact O-N 2.79Å; R374-E376 VanDerWaalsContact C-N 3.31Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 2.72Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-R380 WeakPolarHBondContact O-CB 3.48Å; E376-R380 PolarHBondContact O-N 3.47Å; E376-R380 IonicContact OE1-NH2 3.88Å
377E95.1Very high94Very high50 Ų5051.3 Ų51.323%0.23426%0.263CS..Hα-helixtrans-60-41.3175.1-75.5178.3177.600112V218 R369 D373 R374 L381V218-E377 HydrophobicContact CG1-CB 4.1Å; R369-E377 VanDerWaalsContact CD-OE1 3.31Å; R369-E377 WeakPolarHBondContact CD-OE1 3.47Å; R369-E377 IonicContact CZ-OE1 3.6Å; R369-E377 IonicContact NE-OE1 2.73Å; R369-E377 PolarHBondContact NE-OE1 3.44Å; D373-E377 WeakPolarHBondContact O-CG 3.42Å; D373-E377 PolarHBondContact O-N 3.48Å; R374-E377 PolarHBondContact O-N 3.44Å; E377-L381 VanDerWaalsContact O-CB 3.31Å; E377-L381 WeakPolarHBondContact O-CB 3.4Å; E377-L381 PolarHBondContact O-N 3.13Å
378I96.8Very high94.3Very high0 Ų051.7 Ų51.70%026%0.264CS..Hα-helixtrans-67.6-45.8176.6-66.2165.9000110.7N42 F44 I216 V218 R374 Q375 E376 R380 L381 M382 M404 F715N42-I378 HydrophobicContact CB-CD1 4.09Å; N42-I378 HydrophobicContact CB-CG2 4.32Å; F44-I378 HydrophobicContact CE2-CG2 4.07Å; F44-I378 HydrophobicContact CZ-CG2 3.94Å; I216-I378 HydrophobicContact CG2-CG2 4.34Å; V218-I378 HydrophobicContact CG1-CG1 4.01Å; V218-I378 HydrophobicContact CG2-CG1 4.24Å; R374-I378 HydrophobicContact CG-CD1 4.08Å; R374-I378 VanDerWaalsContact O-CG1 3.26Å; R374-I378 WeakPolarHBondContact O-CG1 3.29Å; R374-I378 PolarHBondContact O-N 2.92Å; Q375-I378 PolarHBondContact O-N 3.4Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 2.72Å; I378-R380 VanDerWaalsContact C-N 3.33Å; I378-R380 PolarHBondContact O-N 2.88Å; I378-L381 WeakPolarHBondContact O-CB 3.49Å; I378-L381 PolarHBondContact O-N 3.34Å; I378-L381 VanDerWaalsContact O-N 3.16Å; I378-M382 PolarHBondContact O-N 2.84Å; I378-M404 HydrophobicContact CB-CE 3.73Å; I378-M404 HydrophobicContact CD1-CE 4.41Å; I378-M404 HydrophobicContact CG2-CE 3.59Å; I378-F715 HydrophobicContact CD1-CE2 4.45Å; I378-F715 HydrophobicContact CD1-CZ 4.08Å
379S96.5Very high94.6Very high27 Ų2755.8 Ų55.819%0.18928%0.28CS..Hα-helixtrans-60.9-42.2178-63.10000111.8Q375 E376 M382 K383Q375-S379 PolarHBondContact O-N 3.44Å; Q375-S379 PolarHBondContact O-OG 2.81Å; Q375-S379 VanDerWaalsContact O-OG 3.14Å; E376-S379 PolarHBondContact O-N 2.92Å; S379-M382 PolarHBondContact O-N 2.9Å; S379-K383 WeakPolarHBondContact O-CG 3.29Å; S379-K383 PolarHBondContact O-N 2.75Å; S379-K383 VanDerWaalsContact O-N 3.15Å
380R94.9Very high94.7Very high127 Ų12753.1 Ų53.148%0.47927%0.271SS..Hα-helixtrans-64.1-41174.2-171-176.2-56136.28.4111.7E376 I378 M382 K383 N384E376-R380 WeakPolarHBondContact O-CB 3.48Å; E376-R380 PolarHBondContact O-N 3.47Å; E376-R380 IonicContact OE1-NH2 3.88Å; I378-R380 VanDerWaalsContact C-N 3.33Å; I378-R380 PolarHBondContact O-N 2.88Å; R380-M382 VanDerWaalsContact C-N 3.33Å; R380-M382 PolarHBondContact O-N 2.8Å; R380-K383 PolarHBondContact O-N 3Å; R380-N384 WeakPolarHBondContact O-CB 3.41Å; R380-N384 VanDerWaalsContact O-CG 3.23Å; R380-N384 PolarHBondContact O-N 3.19Å; R380-N384 PolarHBondContact O-OD1 2.98Å
381L93.2Very high94.7Very high35 Ų3553.9 Ų53.918%0.18328%0.275CS..Hα-helixtrans-61-43.1177.4-173.7147.1000111.5F201 I216 V218 E377 I378 N384 A385F201-L381 HydrophobicContact CB-CD1 3.59Å; F201-L381 HydrophobicContact CB-CD2 4.22Å; F201-L381 HydrophobicContact CD1-CD1 4.04Å; F201-L381 HydrophobicContact CD2-CD2 4.48Å; F201-L381 HydrophobicContact CG-CD1 4.02Å; F201-L381 HydrophobicContact CG-CD2 4.17Å; I216-L381 HydrophobicContact CG2-CD2 3.69Å; V218-L381 HydrophobicContact CG1-CD1 4.22Å; E377-L381 VanDerWaalsContact O-CB 3.31Å; E377-L381 WeakPolarHBondContact O-CB 3.4Å; E377-L381 PolarHBondContact O-N 3.13Å; I378-L381 WeakPolarHBondContact O-CB 3.49Å; I378-L381 PolarHBondContact O-N 3.34Å; I378-L381 VanDerWaalsContact O-N 3.16Å; L381-N384 PolarHBondContact O-N 2.86Å; L381-A385 WeakPolarHBondContact O-CB 3.29Å; L381-A385 PolarHBondContact O-N 3.21Å
382M93.3Very high94.7Very high0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-60.2-49.2176.1-77.2-62.3-61.300112.2F44 L214 I216 I378 S379 R380 N384 A385 N386 F387 V400F44-M382 HydrophobicContact CB-CE 4.03Å; F44-M382 HydrophobicContact CD1-CE 3.74Å; F44-M382 HydrophobicContact CD1-CG 4.02Å; F44-M382 HydrophobicContact CD1-SD 4.3Å; F44-M382 HydrophobicContact CD2-CE 4.09Å; F44-M382 HydrophobicContact CD2-CG 4.14Å; F44-M382 HydrophobicContact CD2-SD 3.87Å; F44-M382 HydrophobicContact CE1-CB 4.33Å; F44-M382 HydrophobicContact CE1-CE 4.27Å; F44-M382 HydrophobicContact CE1-CG 3.56Å; F44-M382 HydrophobicContact CE1-SD 4.37Å; F44-M382 HydrophobicContact CE2-CG 3.71Å; F44-M382 HydrophobicContact CE2-SD 3.97Å; F44-M382 HydrophobicContact CG-CE 3.65Å; F44-M382 HydrophobicContact CG-CG 4.31Å; F44-M382 HydrophobicContact CG-SD 4.07Å; F44-M382 HydrophobicContact CZ-CB 4.49Å; F44-M382 HydrophobicContact CZ-CG 3.39Å; F44-M382 HydrophobicContact CZ-SD 4.23Å; L214-M382 HydrophobicContact CD2-CE 4.43Å; I216-M382 HydrophobicContact CB-SD 4.19Å; I216-M382 HydrophobicContact CG1-SD 3.68Å; I216-M382 HydrophobicContact CG2-SD 4.3Å; I378-M382 PolarHBondContact O-N 2.84Å; S379-M382 PolarHBondContact O-N 2.9Å; R380-M382 VanDerWaalsContact C-N 3.33Å; R380-M382 PolarHBondContact O-N 2.8Å; M382-N384 VanDerWaalsContact C-N 3.28Å; M382-N384 PolarHBondContact O-N 3.21Å; M382-A385 PolarHBondContact O-N 3.06Å; M382-N386 PolarHBondContact O-N 2.9Å; M382-F387 HydrophobicContact CE-CD2 3.78Å; M382-F387 HydrophobicContact CE-CE2 4.01Å; M382-F387 HydrophobicContact SD-CD2 4Å; M382-F387 HydrophobicContact SD-CE2 3.6Å; M382-V400 HydrophobicContact CE-CG1 3.92Å
383K91.9Very high94.7Very high125 Ų12553.8 Ų53.854%0.54327%0.271SS..Hα-helixtrans-59.9-37.1177-69.5179.9179.8-176.10112.8S379 R380 N386S379-K383 WeakPolarHBondContact O-CG 3.29Å; S379-K383 PolarHBondContact O-N 2.75Å; S379-K383 VanDerWaalsContact O-N 3.15Å; R380-K383 PolarHBondContact O-N 3Å; K383-N386 PolarHBondContact O-ND2 2.75Å; K383-N386 PolarHBondContact O-OD1 2.93Å
384N89.4Confident94.7Very high121 Ų12154.7 Ų54.765%0.64727%0.272SS*.Hα-helixtrans-79.8-31.1179.2-69-2.3000112.6R380 L381 M382 N386R380-N384 WeakPolarHBondContact O-CB 3.41Å; R380-N384 VanDerWaalsContact O-CG 3.23Å; R380-N384 PolarHBondContact O-N 3.19Å; R380-N384 PolarHBondContact O-OD1 2.98Å; L381-N384 PolarHBondContact O-N 2.86Å; M382-N384 VanDerWaalsContact C-N 3.28Å; M382-N384 PolarHBondContact O-N 3.21Å; N384-N386 VanDerWaalsContact C-N 3.3Å
385A88.7Confident94.7Very high44 Ų4455.4 Ų55.436%0.36428%0.277SS..Hα-helixtrans-68.7-31.1179.300000111.9L381 M382 F387L381-A385 WeakPolarHBondContact O-CB 3.29Å; L381-A385 PolarHBondContact O-N 3.21Å; M382-A385 PolarHBondContact O-N 3.06Å; A385-F387 VanDerWaalsContact C-N 3.34Å; A385-F387 HydrophobicContact CB-CD2 3.93Å; A385-F387 HydrophobicContact CB-CE2 3.65Å; A385-F387 HydrophobicContact CB-CZ 4.23Å; A385-F387 PolarHBondContact O-N 3.35Å
386N89.4Confident94.7Very high75 Ų7554 Ų5440%0.40127%0.271SS..  trans44.956.2178-77-38.8000112.1M382 K383 N384 N388 L389M382-N386 PolarHBondContact O-N 2.9Å; K383-N386 PolarHBondContact O-ND2 2.75Å; K383-N386 PolarHBondContact O-OD1 2.93Å; N384-N386 VanDerWaalsContact C-N 3.3Å; N386-N388 PolarHBondContact O-N 2.87Å; N386-L389 HydrophobicContact CB-CB 4.3Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.34Å
387F91.9Very high94.7Very high13 Ų1351.1 Ų51.16%0.05727%0.268CS..G310 helixtrans-52.5-32.5-176-76.8-81.4000112.9L214 I216 M382 A385 L389 D390 I393 V400L214-F387 HydrophobicContact CD2-CD1 4.47Å; L214-F387 HydrophobicContact CD2-CD2 4.16Å; L214-F387 HydrophobicContact CD2-CE1 4.27Å; L214-F387 HydrophobicContact CD2-CE2 3.95Å; L214-F387 HydrophobicContact CD2-CG 4.42Å; L214-F387 HydrophobicContact CD2-CZ 4.01Å; I216-F387 HydrophobicContact CD1-CE2 4.43Å; I216-F387 HydrophobicContact CD1-CZ 4.06Å; M382-F387 HydrophobicContact CE-CD2 3.78Å; M382-F387 HydrophobicContact CE-CE2 4.01Å; M382-F387 HydrophobicContact SD-CD2 4Å; M382-F387 HydrophobicContact SD-CE2 3.6Å; A385-F387 VanDerWaalsContact C-N 3.34Å; A385-F387 HydrophobicContact CB-CD2 3.93Å; A385-F387 HydrophobicContact CB-CE2 3.65Å; A385-F387 HydrophobicContact CB-CZ 4.23Å; A385-F387 PolarHBondContact O-N 3.35Å; F387-L389 PolarHBondContact O-N 3.24Å; F387-D390 VanDerWaalsContact O-CB 3.3Å; F387-D390 WeakPolarHBondContact O-CB 3.31Å; F387-D390 PolarHBondContact O-N 3.08Å; F387-D390 VanDerWaalsContact O-N 3.12Å; F387-I393 HydrophobicContact CB-CD1 4.01Å; F387-I393 HydrophobicContact CD1-CD1 3.67Å; F387-I393 HydrophobicContact CG-CD1 4.34Å; F387-I393 WeakPolarHBondContact O-CD1 3.44Å; F387-V400 HydrophobicContact CB-CB 4.21Å; F387-V400 HydrophobicContact CB-CG2 4.05Å
388N94.6Very high94.8Very high53 Ų5349 Ų4928%0.28326%0.259SS..G310 helixtrans-70.7-11.5178.2-61.7-39.3000114.3N386 Q394 K399 V400N386-N388 PolarHBondContact O-N 2.87Å; N388-Q394 WeakPolarHBondContact O-CG 3.21Å; N388-Q394 PolarHBondContact O-NE2 3.31Å; N388-K399 WeakPolarHBondContact OD1-CA 3.2Å; N388-V400 PolarHBondContact ND2-O 2.98Å; N388-V400 PolarHBondContact OD1-N 2.89Å; N388-V400 PolarHBondContact OD1-O 2.8Å
389L95.7Very high94.8Very high121 Ų12155.2 Ų55.263%0.63429%0.286SS*.G310 helixtrans-99.5-2.5172-62.6-178.4000113N386 F387 P391N386-L389 HydrophobicContact CB-CB 4.3Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.34Å; F387-L389 PolarHBondContact O-N 3.24Å; L389-P391 WeakPolarHBondContact O-CD 3.36Å
390D96.1Very high94.8Very high15 Ų1554.2 Ų54.28%0.0828%0.278CS..  trans-66.8120.8173.8-178.8-35.9000109.1L168 F387 Y392 I393 Q394L168-D390 WeakPolarHBondContact CB-OD2 3.18Å; L168-D390 HydrophobicContact CD2-CB 4.22Å; L168-D390 VanDerWaalsContact CD2-CG 3.45Å; L168-D390 VanDerWaalsContact CD2-OD2 3.25Å; L168-D390 WeakPolarHBondContact CD2-OD2 3.42Å; F387-D390 VanDerWaalsContact O-CB 3.3Å; F387-D390 WeakPolarHBondContact O-CB 3.31Å; F387-D390 PolarHBondContact O-N 3.08Å; F387-D390 VanDerWaalsContact O-N 3.12Å; D390-Y392 PolarHBondContact O-N 2.78Å; D390-Y392 VanDerWaalsContact O-N 3.14Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.49Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.3Å; D390-Y392 PolarHBondContact OD1-N 2.98Å; D390-I393 HydrophobicContact CB-CB 3.93Å; D390-I393 HydrophobicContact CB-CD1 3.85Å; D390-I393 HydrophobicContact CB-CG1 3.82Å; D390-I393 PolarHBondContact O-N 2.84Å; D390-I393 PolarHBondContact OD1-N 2.83Å; D390-Q394 WeakPolarHBondContact O-CG 3.44Å; D390-Q394 PolarHBondContact O-N 2.91Å
391P96.9Very high94.9Very high41 Ų4152.5 Ų52.527%0.26627%0.274SS..Hα-helixtrans-62.7-23.8-174.525.7-35.8000113.5K90 L389 E395K90-P391 HydrophobicContact CD-CB 4.23Å; L389-P391 WeakPolarHBondContact O-CD 3.36Å; P391-E395 WeakPolarHBondContact O-CB 3.24Å; P391-E395 PolarHBondContact O-N 3.12Å
392Y97.3Very high94.9Very high31 Ų3153.8 Ų53.812%0.12228%0.281CS..Hα-helixtrans-83.3-34.8176.5-60.2-83.4000111.4K90 V92 H167 L168 D390 F396K90-Y392 HydrophobicContact CB-CD1 3.87Å; K90-Y392 HydrophobicContact CB-CE1 3.98Å; V92-Y392 HydrophobicContact CG1-CD1 3.82Å; V92-Y392 HydrophobicContact CG1-CG 4.17Å; H167-Y392 AromaticContact CD2-CD1 3.58Å; H167-Y392 AromaticContact CD2-CD2 3.7Å; H167-Y392 AromaticContact CD2-CE1 3.44Å; H167-Y392 VanDerWaalsContact CD2-CE1 3.44Å; H167-Y392 WeakPolarHBondContact CD2-CE1 3.49Å; H167-Y392 AromaticContact CD2-CE2 3.57Å; H167-Y392 AromaticContact CD2-CG 3.7Å; H167-Y392 AromaticContact CD2-CZ 3.43Å; H167-Y392 VanDerWaalsContact CD2-CZ 3.43Å; H167-Y392 AromaticContact NE2-CE1 3.57Å; H167-Y392 AromaticContact NE2-CZ 3.53Å; L168-Y392 HydrophobicContact CB-CD2 4.1Å; L168-Y392 HydrophobicContact CB-CE2 4.44Å; L168-Y392 HydrophobicContact CD1-CE2 4.16Å; D390-Y392 PolarHBondContact O-N 2.78Å; D390-Y392 VanDerWaalsContact O-N 3.14Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.49Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.3Å; D390-Y392 PolarHBondContact OD1-N 2.98Å; Y392-F396 VanDerWaalsContact O-CD2 3.24Å; Y392-F396 WeakPolarHBondContact O-CD2 3.46Å; Y392-F396 PolarHBondContact O-N 3.49Å
393I96.8Very high95.1Very high0 Ų058.7 Ų58.70%031%0.308CS..Hα-helixtrans-67.4-41.2173.8-65.7-175.6000110F387 D390 F396 G397 I398F387-I393 HydrophobicContact CB-CD1 4.01Å; F387-I393 HydrophobicContact CD1-CD1 3.67Å; F387-I393 HydrophobicContact CG-CD1 4.34Å; F387-I393 WeakPolarHBondContact O-CD1 3.44Å; D390-I393 HydrophobicContact CB-CB 3.93Å; D390-I393 HydrophobicContact CB-CD1 3.85Å; D390-I393 HydrophobicContact CB-CG1 3.82Å; D390-I393 PolarHBondContact O-N 2.84Å; D390-I393 PolarHBondContact OD1-N 2.83Å; I393-F396 CarbonylContact O-C 3.53Å; I393-F396 PolarHBondContact O-N 3.33Å; I393-G397 PolarHBondContact O-N 3.27Å; I393-I398 HydrophobicContact CG2-CB 3.73Å; I393-I398 HydrophobicContact CG2-CG2 3.96Å; I393-I398 WeakPolarHBondContact CG2-O 3.39Å; I393-I398 PolarHBondContact O-N 2.89Å; I393-I398 VanDerWaalsContact O-N 3.09Å
394Q97.4Very high95.4Very high104 Ų10453.3 Ų53.349%0.48629%0.285SS..Hα-helixtrans-61.9-45.2174.3-71.7-178.3-15.800112.7N388 D390 F396 G397N388-Q394 WeakPolarHBondContact O-CG 3.21Å; N388-Q394 PolarHBondContact O-NE2 3.31Å; D390-Q394 WeakPolarHBondContact O-CG 3.44Å; D390-Q394 PolarHBondContact O-N 2.91Å; Q394-F396 PolarHBondContact O-N 2.8Å; Q394-G397 PolarHBondContact O-N 2.83Å
395E97.4Very high95.8Very high49 Ų4947.8 Ų47.823%0.22926%0.255CS..Hα-helixtrans-52.6-46.3175.2178.676.917500111R89 K90 V102 P391 G397R89-E395 WeakPolarHBondContact CA-OE1 3.39Å; K90-E395 HydrophobicContact CB-CB 4.22Å; K90-E395 HydrophobicContact CB-CG 3.96Å; K90-E395 HydrophobicContact CD-CB 4.48Å; K90-E395 PolarHBondContact N-OE1 3.29Å; K90-E395 VanDerWaalsContact N-OE1 3.09Å; V102-E395 HydrophobicContact CG1-CG 4.23Å; V102-E395 WeakPolarHBondContact CG1-O 3.45Å; V102-E395 HydrophobicContact CG2-CG 3.96Å; V102-E395 WeakPolarHBondContact CG2-OE1 3.49Å; P391-E395 WeakPolarHBondContact O-CB 3.24Å; P391-E395 PolarHBondContact O-N 3.12Å; E395-G397 PolarHBondContact O-N 3.45Å
396F97.5Very high96.2Very high1 Ų153.2 Ų53.20%0.00427%0.273CS..THydrogen-bonded Turntrans-79.64.5-179.9-78.6-103000114.1P49 M51 V53 V92 V102 W139 A164 Y392 I393 Q394 I398P49-F396 VanDerWaalsContact CG-O 3.24Å; P49-F396 WeakPolarHBondContact CG-O 3.33Å; M51-F396 HydrophobicContact CE-CD1 4.3Å; M51-F396 WeakPolarHBondContact CE-O 3.27Å; V53-F396 HydrophobicContact CG1-CE1 3.78Å; V53-F396 HydrophobicContact CG2-CD1 4.4Å; V53-F396 HydrophobicContact CG2-CE1 4.34Å; V92-F396 HydrophobicContact CB-CE2 4.31Å; V92-F396 HydrophobicContact CB-CZ 4.45Å; V92-F396 HydrophobicContact CG1-CD2 4.28Å; V92-F396 HydrophobicContact CG1-CE2 3.66Å; V92-F396 HydrophobicContact CG1-CZ 4.28Å; V92-F396 HydrophobicContact CG2-CE1 4.25Å; V92-F396 HydrophobicContact CG2-CE2 3.77Å; V92-F396 HydrophobicContact CG2-CZ 3.47Å; V92-F396 VanDerWaalsContact CG2-CZ 3.47Å; V102-F396 HydrophobicContact CG1-CB 4.23Å; V102-F396 HydrophobicContact CG1-CD1 3.67Å; V102-F396 HydrophobicContact CG1-CD2 3.91Å; V102-F396 HydrophobicContact CG1-CE1 3.95Å; V102-F396 HydrophobicContact CG1-CE2 4.14Å; V102-F396 HydrophobicContact CG1-CG 3.68Å; V102-F396 HydrophobicContact CG1-CZ 4.17Å; W139-F396 HydrophobicContact CH2-CB 4.08Å; W139-F396 AromaticContact CH2-CD1 3.5Å; W139-F396 HydrophobicContact CH2-CD1 3.5Å; W139-F396 HydrophobicContact CH2-CE1 4.4Å; W139-F396 HydrophobicContact CH2-CG 4.22Å; W139-F396 HydrophobicContact CZ2-CD1 4.27Å; W139-F396 HydrophobicContact CZ3-CB 4.26Å; W139-F396 HydrophobicContact CZ3-CD1 4.1Å; A164-F396 HydrophobicContact CB-CD1 4.36Å; A164-F396 HydrophobicContact CB-CD2 4.5Å; A164-F396 HydrophobicContact CB-CG 4.29Å; Y392-F396 VanDerWaalsContact O-CD2 3.24Å; Y392-F396 WeakPolarHBondContact O-CD2 3.46Å; Y392-F396 PolarHBondContact O-N 3.49Å; I393-F396 CarbonylContact O-C 3.53Å; I393-F396 PolarHBondContact O-N 3.33Å; Q394-F396 PolarHBondContact O-N 2.8Å; F396-I398 HydrophobicContact CB-CD1 3.69Å; F396-I398 HydrophobicContact CB-CG1 3.99Å; F396-I398 PolarHBondContact O-N 2.8Å; F396-I398 VanDerWaalsContact O-N 3.17Å
397G96.9Very high96.6Very high42 Ų4249.9 Ų49.943%0.43326%0.255SS..THydrogen-bonded Turntrans61.222.1178.700000114.1I393 Q394 E395I393-G397 PolarHBondContact O-N 3.27Å; Q394-G397 PolarHBondContact O-N 2.83Å; E395-G397 PolarHBondContact O-N 3.45Å
398I97.3Very high96.9Very high6 Ų653.5 Ų53.53%0.03128%0.279CS..  trans-82.6140.6-178.4-62.5159000108.9V46 E47 W139 L161 A164 M165 I393 F396 V400V46-I398 HydrophobicContact CG1-CG2 3.59Å; E47-I398 WeakPolarHBondContact O-CA 3.31Å; W139-I398 HydrophobicContact CH2-CD1 3.87Å; W139-I398 HydrophobicContact CH2-CG1 4.13Å; W139-I398 HydrophobicContact CZ3-CD1 4.3Å; W139-I398 HydrophobicContact CZ3-CG1 4.04Å; L161-I398 HydrophobicContact CD1-CD1 3.44Å; L161-I398 VanDerWaalsContact CD1-CD1 3.44Å; L161-I398 HydrophobicContact CD1-CG1 3.95Å; A164-I398 HydrophobicContact CB-CD1 4.2Å; M165-I398 HydrophobicContact CG-CD1 4.38Å; I393-I398 HydrophobicContact CG2-CB 3.73Å; I393-I398 HydrophobicContact CG2-CG2 3.96Å; I393-I398 WeakPolarHBondContact CG2-O 3.39Å; I393-I398 PolarHBondContact O-N 2.89Å; I393-I398 VanDerWaalsContact O-N 3.09Å; F396-I398 HydrophobicContact CB-CD1 3.69Å; F396-I398 HydrophobicContact CB-CG1 3.99Å; F396-I398 PolarHBondContact O-N 2.8Å; F396-I398 VanDerWaalsContact O-N 3.17Å; I398-V400 HydrophobicContact CG2-CG2 4.39Å
399K97Very high97.1Very high130 Ų13051 Ų5157%0.56527%0.266SS*.EExtended strand (participates in β ladder)trans-123.4142.5168.5-57.9179.6-179.2177.20110.6V46 E47 N388V46-K399 CarbonylContact C-O 3.6Å; V46-K399 WeakPolarHBondContact CA-O 3.36Å; E47-K399 HydrophobicContact CB-CB 4.2Å; E47-K399 PolarHBondContact N-O 2.85Å; E47-K399 PolarHBondContact O-N 2.82Å; N388-K399 WeakPolarHBondContact OD1-CA 3.2Å
400V96.8Very high97.2Very high5 Ų546.3 Ų46.33%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-120.3131.3178.9-1740000108.6F44 E45 M165 L214 M382 F387 N388 I398F44-V400 HydrophobicContact CB-CG1 4.05Å; E45-V400 WeakPolarHBondContact O-CA 3.44Å; M165-V400 HydrophobicContact CE-CG2 3.55Å; L214-V400 HydrophobicContact CD2-CG1 3.85Å; M382-V400 HydrophobicContact CE-CG1 3.92Å; F387-V400 HydrophobicContact CB-CB 4.21Å; F387-V400 HydrophobicContact CB-CG2 4.05Å; N388-V400 PolarHBondContact ND2-O 2.98Å; N388-V400 PolarHBondContact OD1-N 2.89Å; N388-V400 PolarHBondContact OD1-O 2.8Å; I398-V400 HydrophobicContact CG2-CG2 4.39Å
401K96.6Very high97.3Very high91 Ų9147.1 Ų47.140%0.39625%0.245SC..  trans-73.2137.4172.4-172.5175177.8-178.10110.2F44 E45F44-K401 WeakPolarHBondContact CB-O 3.37Å; F44-K401 WeakPolarHBondContact CD1-O 3.36Å; E45-K401 HydrophobicContact CB-CB 4.12Å; E45-K401 HydrophobicContact CB-CD 4.37Å; E45-K401 PolarHBondContact O-N 2.85Å; E45-K401 IonicContact OE1-NZ 3.98Å; E45-K401 PolarHBondContact OE1-NZ 3.4Å
402D94.5Very high97.4Very high62 Ų6245.4 Ų45.433%0.33223%0.233SC..SBendtrans-82.3-21.4-175.6-63.4-35.1000113.6F44F44-D402 VanDerWaalsContact CE1-O 3.27Å; F44-D402 WeakPolarHBondContact CE1-O 3.38Å
403D96.8Very high97.4Very high104 Ų10447.7 Ų47.756%0.55625%0.252SS*.SBendtrans-92.1146.7-179.9-61.6-59.2000112.6F44F44-D403 VanDerWaalsContact CD1-O 3.29Å; F44-D403 WeakPolarHBondContact CD1-O 3.46Å
404M98.3Very high97.5Very high12 Ų1249.1 Ų49.16%0.05926%0.264CS..PPolyproline II helixtrans-58.2141.2173.1-75.9-169.6-174.300111.3L40 A41 N42 F44 Q375 I378 E406 F715L40-M404 HydrophobicContact CB-CB 4.15Å; L40-M404 HydrophobicContact CB-SD 4.18Å; L40-M404 HydrophobicContact CD2-CB 4.27Å; A41-M404 WeakPolarHBondContact O-CB 3.38Å; A41-M404 WeakPolarHBondContact O-CG 3.39Å; N42-M404 HydrophobicContact CB-CE 4.29Å; F44-M404 HydrophobicContact CE1-CB 4.47Å; F44-M404 HydrophobicContact CE1-CG 3.89Å; F44-M404 HydrophobicContact CZ-CE 4.43Å; F44-M404 HydrophobicContact CZ-CG 3.68Å; Q375-M404 HydrophobicContact CG-CE 3.89Å; Q375-M404 HydrophobicContact CG-SD 3.93Å; I378-M404 HydrophobicContact CB-CE 3.73Å; I378-M404 HydrophobicContact CD1-CE 4.41Å; I378-M404 HydrophobicContact CG2-CE 3.59Å; M404-E406 PolarHBondContact O-N 2.8Å; M404-F715 HydrophobicContact CE-CD2 4.35Å; M404-F715 HydrophobicContact CE-CE2 3.9Å; M404-F715 HydrophobicContact SD-CD2 3.84Å; M404-F715 HydrophobicContact SD-CE2 3.94Å
405A97.6Very high97.4Very high4 Ų444.5 Ų44.53%0.03324%0.243CC..EExtended strand (participates in β ladder)trans-63.7127.4174.800000110.8A41 Y43A41-A405 PolarHBondContact N-O 2.77Å; A41-A405 PolarHBondContact O-N 3.23Å; Y43-A405 VanDerWaalsContact O-CB 3.29Å; Y43-A405 WeakPolarHBondContact O-CB 3.3Å; Y43-A405 PolarHBondContact O-N 2.92Å
406E97.6Very high97.4Very high159 Ų15944 Ų4474%0.74324%0.242SC*.EExtended strand (participates in β ladder)trans-76.7131.1169.9-70.2-174.9-172.200110.1L39 L40 M404L39-E406 WeakPolarHBondContact O-CA 3.22Å; L40-E406 HydrophobicContact CD2-CG 3.69Å; M404-E406 PolarHBondContact O-N 2.8Å
407V97.4Very high97.5Very high4 Ų444 Ų442%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-136.3136.4-179.5-171.30000109.1L39 A41 V735 I739L39-V407 WeakPolarHBondContact CA-O 3.31Å; L39-V407 WeakPolarHBondContact CB-O 3.12Å; L39-V407 PolarHBondContact N-O 3.02Å; L39-V407 PolarHBondContact O-N 2.93Å; A41-V407 HydrophobicContact CB-CG2 4.15Å; V407-V735 HydrophobicContact CG1-CG1 3.6Å; V407-V735 HydrophobicContact CG1-CG2 4.4Å; V407-I739 HydrophobicContact CG2-CG2 3.82Å
408T98.2Very high97.5Very high89 Ų8943.8 Ų43.855%0.54623%0.23SC..EExtended strand (participates in β ladder)trans-90.7113.5170.2-59.10000108.6P36P36-T408 HydrophobicContact CB-CG2 4.31Å
409G98.4Very high97.5Very high1 Ų143.5 Ų43.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-93.3177.1170.400000112P36 I37 T734P36-G409 CarbonylContact C-O 3.56Å; P36-G409 WeakPolarHBondContact CA-O 3.29Å; I37-G409 VanDerWaalsContact CG2-C 3.47Å; I37-G409 WeakPolarHBondContact CG2-O 3.34Å; I37-G409 PolarHBondContact N-O 3.34Å; I37-G409 PolarHBondContact O-N 3.01Å; G409-T734 CarbonylContact C-O 3.19Å; G409-T734 WeakPolarHBondContact CA-O 3.35Å
410R98.8Very high97.4Very high22 Ų2237.6 Ų37.68%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-127.3134.9171.8-67.8170.2-67.6111.4-0.8110.1G31 V33 K35 T733 T734 D736 D776G31-R410 VanDerWaalsContact O-CZ 3.25Å; G31-R410 PolarHBondContact O-NE 3.46Å; V33-R410 WeakPolarHBondContact O-CD 3.38Å; V33-R410 PolarHBondContact O-NH1 3.35Å; K35-R410 CarbonylContact O-C 3.59Å; K35-R410 WeakPolarHBondContact O-CA 3.36Å; R410-T733 CarbonylContact O-C 3.55Å; R410-T733 WeakPolarHBondContact O-CA 3.31Å; R410-T734 PolarHBondContact N-O 2.99Å; R410-T734 PolarHBondContact O-N 3.44Å; R410-D736 IonicContact CZ-OD1 3.66Å; R410-D736 IonicContact NE-OD1 2.69Å; R410-D736 IonicContact NH2-OD1 3.5Å; R410-D736 PolarHBondContact NH2-OD1 3.49Å; R410-D736 IonicContact NH2-OD2 3.57Å; R410-D736 PolarHBondContact NH2-OD2 2.94Å; R410-D776 IonicContact NH1-OD1 2.89Å
411V98.7Very high97.2Very high33 Ų3339 Ų3920%0.222%0.22CC..EExtended strand (participates in β ladder)trans-91.9105.1171.8-172.40000108.1G34 K35 I37 P730G34-V411 CarbonylContact C-O 3.55Å; G34-V411 WeakPolarHBondContact CA-O 3.45Å; K35-V411 PolarHBondContact N-O 3.47Å; K35-V411 PolarHBondContact O-N 2.76Å; I37-V411 HydrophobicContact CB-CG2 4.06Å; I37-V411 HydrophobicContact CD1-CG2 4.32Å; I37-V411 HydrophobicContact CG2-CG2 3.66Å; V411-P730 HydrophobicContact CG1-CB 4.45Å; V411-P730 HydrophobicContact CG1-CG 4.3Å; V411-P730 HydrophobicContact CG2-CG 3.72Å
412L98.5Very high96.7Very high4 Ų446.9 Ų46.92%0.02125%0.247CC..PPolyproline II helixtrans-65.4145.2179.8-63.5179000111.3V33 A414 G732 T734 L749 Q779 I780 Y783V33-L412 WeakPolarHBondContact O-CD2 3.26Å; L412-A414 PolarHBondContact O-N 2.89Å; L412-G732 PolarHBondContact N-O 2.92Å; L412-T734 VanDerWaalsContact CD1-OG1 3.3Å; L412-T734 WeakPolarHBondContact CD1-OG1 3.41Å; L412-T734 WeakPolarHBondContact CG-OG1 3.5Å; L412-L749 HydrophobicContact CD1-CD1 4.26Å; L412-Q779 HydrophobicContact CD1-CB 4.12Å; L412-I780 HydrophobicContact CD2-CG1 4.43Å; L412-Y783 HydrophobicContact CB-CD1 3.71Å; L412-Y783 HydrophobicContact CB-CE1 4.04Å; L412-Y783 HydrophobicContact CD1-CD1 4.32Å; L412-Y783 HydrophobicContact CD1-CG 4.41Å
413P97.5Very high96.4Very high79 Ų7948.4 Ų48.451%0.51326%0.255SS..PPolyproline II helixtrans-65.8134.3172.328.5-33.6000110.3V33V33-P413 HydrophobicContact CG1-CG 4.26Å
414A97.4Very high96.2Very high31 Ų3152.6 Ų52.626%0.25626%0.263SS..PPolyproline II helixtrans-72.5143.1173.100000110.3L412 P429 Y783L412-A414 PolarHBondContact O-N 2.89Å; A414-P429 HydrophobicContact CB-CB 3.85Å; A414-P429 HydrophobicContact CB-CG 4.05Å; A414-Y783 HydrophobicContact CB-CE1 4.26Å
415P97.1Very high96Very high7 Ų753 Ų535%0.04527%0.268CS..PPolyproline II helixtrans-67.9151173.830.1-35.8000111.3P429 L577 Q784 H787P415-P429 WeakPolarHBondContact O-CD 3.25Å; P415-P429 WeakPolarHBondContact O-CG 3.49Å; P415-L577 HydrophobicContact CB-CD2 3.77Å; P415-L577 HydrophobicContact CG-CD2 3.77Å; P415-Q784 HydrophobicContact CB-CG 4Å; P415-Q784 HydrophobicContact CG-CB 4.44Å; P415-Q784 HydrophobicContact CG-CG 4.11Å; P415-H787 HydrophobicContact CG-CB 3.9Å
416I97.2Very high95.9Very high38 Ų3857.3 Ų57.320%0.19529%0.29CS..PPolyproline II helixtrans-80.3141.9166.2-55176.6000108.7I426 V578I416-I426 HydrophobicContact CG2-CB 3.82Å; I416-I426 HydrophobicContact CG2-CD1 4.35Å; I416-I426 HydrophobicContact CG2-CG2 4.2Å; I416-V578 HydrophobicContact CB-CB 4.38Å; I416-V578 HydrophobicContact CB-CG2 3.75Å; I416-V578 HydrophobicContact CG2-CG2 3.67Å; I416-V578 WeakPolarHBondContact O-CG2 3.22Å; I416-V578 PolarHBondContact O-N 3.45Å
417L97.9Very high95.9Very high0 Ų050 Ų500%026%0.256CS..EExtended strand (participates in β ladder)trans-109.2130.6-179.8-62.6163.7000110.3Y419 I426 A427 P429 W434 I576 L577 H787L417-Y419 HydrophobicContact CB-CE2 4.44Å; L417-I426 CarbonylContact O-C 3.57Å; L417-I426 VanDerWaalsContact O-CA 3.32Å; L417-I426 WeakPolarHBondContact O-CA 3.35Å; L417-A427 HydrophobicContact CB-CB 4.34Å; L417-A427 PolarHBondContact N-O 2.8Å; L417-A427 PolarHBondContact O-N 2.97Å; L417-P429 HydrophobicContact CD1-CG 4.28Å; L417-W434 HydrophobicContact CD1-CD2 3.5Å; L417-W434 HydrophobicContact CD1-CE3 3.88Å; L417-W434 HydrophobicContact CD1-CG 4.12Å; L417-W434 HydrophobicContact CD1-CH2 3.68Å; L417-W434 HydrophobicContact CD1-CZ2 3.28Å; L417-W434 HydrophobicContact CD1-CZ3 3.94Å; L417-I576 CarbonylContact C-O 3.59Å; L417-I576 WeakPolarHBondContact CA-O 3.42Å; L417-L577 HydrophobicContact CD2-CD2 4.04Å; L417-H787 HydrophobicContact CD2-CB 4.23Å
418Q97.9Very high95.8Very high39 Ų3954.3 Ų54.318%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-95.5126.2178.5-176.964.35500110.3R424 A425 Y442 N575 I576 V578Q418-R424 VanDerWaalsContact NE2-C 3.28Å; Q418-R424 PolarHBondContact NE2-O 3.31Å; Q418-A425 PolarHBondContact NE2-O 3.43Å; Q418-Y442 HydrophobicContact CG-CD2 4.35Å; Q418-Y442 HydrophobicContact CG-CE2 4.32Å; Q418-N575 WeakPolarHBondContact O-CA 3.44Å; Q418-N575 WeakPolarHBondContact O-CB 3.29Å; Q418-I576 HydrophobicContact CB-CD1 4.43Å; Q418-I576 HydrophobicContact CB-CG1 3.76Å; Q418-I576 HydrophobicContact CG-CG1 4.29Å; Q418-I576 PolarHBondContact N-O 2.91Å; Q418-I576 PolarHBondContact O-N 3.41Å; Q418-V578 HydrophobicContact CB-CG2 4.14Å
419Y97.9Very high95.8Very high0 Ų050.7 Ų50.70%026%0.261CS..  trans-103.8173.5171.8-78.3-91.9000110.9L417 A425 A427 W434 M436 K439 Q440 N574 N575L417-Y419 HydrophobicContact CB-CE2 4.44Å; Y419-A425 WeakPolarHBondContact CA-O 3.31Å; Y419-A425 VanDerWaalsContact CB-O 3.3Å; Y419-A425 WeakPolarHBondContact CB-O 3.31Å; Y419-A425 PolarHBondContact N-O 2.89Å; Y419-A427 HydrophobicContact CD2-CB 4.2Å; Y419-A427 HydrophobicContact CE2-CB 3.72Å; Y419-W434 VanDerWaalsContact OH-CD1 3.3Å; Y419-W434 PolarHBondContact OH-NE1 3.41Å; Y419-M436 HydrophobicContact CD1-CE 4.31Å; Y419-M436 HydrophobicContact CE1-CE 3.83Å; Y419-M436 HydrophobicContact CE1-CG 4.01Å; Y419-M436 HydrophobicContact CE1-SD 4.21Å; Y419-K439 HydrophobicContact CD1-CB 4.05Å; Y419-K439 HydrophobicContact CD2-CB 4.29Å; Y419-K439 HydrophobicContact CD2-CD 3.77Å; Y419-K439 HydrophobicContact CE1-CB 4.47Å; Y419-K439 HydrophobicContact CE2-CD 3.84Å; Y419-K439 HydrophobicContact CG-CB 3.93Å; Y419-K439 HydrophobicContact CG-CD 4.29Å; Y419-Q440 VanDerWaalsContact CB-O 3.28Å; Y419-Q440 WeakPolarHBondContact CB-O 3.05Å; Y419-Q440 VanDerWaalsContact CD1-O 3.3Å; Y419-Q440 WeakPolarHBondContact CD1-O 3.45Å; Y419-N574 WeakPolarHBondContact CD1-O 3.45Å; Y419-N575 HydrophobicContact CD1-CB 4.06Å; Y419-N575 HydrophobicContact CD2-CB 4.23Å; Y419-N575 HydrophobicContact CE1-CB 3.87Å; Y419-N575 HydrophobicContact CE2-CB 4.03Å; Y419-N575 HydrophobicContact CG-CB 4.26Å; Y419-N575 PolarHBondContact OH-ND2 3.27Å
420G94.9Very high95.6Very high6 Ų656.2 Ų56.26%0.06229%0.29CS..BIsolated β-bridgetrans-104.9-143.6-176.200000112.6N423 R424 Q440 F441G420-N423 PolarHBondContact O-OD1 3.01Å; G420-R424 WeakPolarHBondContact O-CA 3.42Å; G420-R424 PolarHBondContact O-N 3.44Å; G420-Q440 PolarHBondContact N-O 3.18Å; G420-F441 WeakPolarHBondContact CA-O 3.47Å
421G91.3Very high95.3Very high35 Ų3560.2 Ų60.236%0.36131%0.309SS..THydrogen-bonded Turntrans71-173.8-173.500000113.2N423 R424G421-N423 VanDerWaalsContact C-N 3.27Å; G421-N423 PolarHBondContact O-N 3.44Å; G421-R424 PolarHBondContact O-N 3.21Å
422R87.4Confident95Very high255 Ų25558.8 Ų58.896%0.96230%0.301SS*.THydrogen-bonded Turntrans-65.3-32.6178.3-67.8-176-179.6-179.4-0.9112.5
423N88.4Confident94.9Very high94 Ų9460.9 Ų60.950%0.50331%0.314SS..THydrogen-bonded Turntrans-86.4-13.1-175.964.5-12.5000114G420 G421 A425 G438G420-N423 PolarHBondContact O-OD1 3.01Å; G421-N423 VanDerWaalsContact C-N 3.27Å; G421-N423 PolarHBondContact O-N 3.44Å; N423-A425 PolarHBondContact O-N 2.85Å; N423-G438 PolarHBondContact ND2-O 2.84Å
424R91.6Very high94.9Very high193 Ų19357.9 Ų57.973%0.72829%0.293SS*.THydrogen-bonded Turntrans40.749.9-178.5-65.4-173177.3-1740.2111.7Q418 G420 G421Q418-R424 VanDerWaalsContact NE2-C 3.28Å; Q418-R424 PolarHBondContact NE2-O 3.31Å; G420-R424 WeakPolarHBondContact O-CA 3.42Å; G420-R424 PolarHBondContact O-N 3.44Å; G421-R424 PolarHBondContact O-N 3.21Å
425A94.9Very high94.7Very high19 Ų1958.5 Ų58.516%0.15729%0.292CS..  trans-61.6150.6-171.400000111.8Q418 Y419 N423 K439Q418-A425 PolarHBondContact NE2-O 3.43Å; Y419-A425 WeakPolarHBondContact CA-O 3.31Å; Y419-A425 VanDerWaalsContact CB-O 3.3Å; Y419-A425 WeakPolarHBondContact CB-O 3.31Å; Y419-A425 PolarHBondContact N-O 2.89Å; N423-A425 PolarHBondContact O-N 2.85Å; A425-K439 HydrophobicContact CB-CB 4.36Å; A425-K439 HydrophobicContact CB-CG 3.92Å
426I95.9Very high94.5Very high96 Ų9659 Ų5949%0.49229%0.294SS..EExtended strand (participates in β ladder)trans-103.4151.4169.356.7170.5000110.4I416 L417I416-I426 HydrophobicContact CG2-CB 3.82Å; I416-I426 HydrophobicContact CG2-CD1 4.35Å; I416-I426 HydrophobicContact CG2-CG2 4.2Å; L417-I426 CarbonylContact O-C 3.57Å; L417-I426 VanDerWaalsContact O-CA 3.32Å; L417-I426 WeakPolarHBondContact O-CA 3.35Å
427A96.3Very high94.3Very high4 Ų466.7 Ų66.73%0.03332%0.32CS..EExtended strand (participates in β ladder)trans-123.5126.6170.500000109.7L417 Y419 P429 W434 K439L417-A427 HydrophobicContact CB-CB 4.34Å; L417-A427 PolarHBondContact N-O 2.8Å; L417-A427 PolarHBondContact O-N 2.97Å; Y419-A427 HydrophobicContact CD2-CB 4.2Å; Y419-A427 HydrophobicContact CE2-CB 3.72Å; A427-P429 WeakPolarHBondContact O-CD 3.19Å; A427-W434 HydrophobicContact CB-CB 4.24Å; A427-W434 HydrophobicContact CB-CG 4.23Å; A427-K439 HydrophobicContact CB-CD 4.05Å
428T96Very high94.1Very high96 Ų9669.8 Ų69.859%0.58935%0.353SS*.  trans-100.9112.7173.4-53.60000108.3N430T428-N430 PolarHBondContact O-N 2.96Å
429P96.9Very high94Very high12 Ų1269.4 Ų69.48%0.07835%0.35CS..  trans-59.3131.4175.7-23.534.4000111.1A414 P415 L417 A427 V433 W434A414-P429 HydrophobicContact CB-CB 3.85Å; A414-P429 HydrophobicContact CB-CG 4.05Å; P415-P429 WeakPolarHBondContact O-CD 3.25Å; P415-P429 WeakPolarHBondContact O-CG 3.49Å; L417-P429 HydrophobicContact CD1-CG 4.28Å; A427-P429 WeakPolarHBondContact O-CD 3.19Å; P429-V433 WeakPolarHBondContact CA-O 3.39Å; P429-W434 HydrophobicContact CB-CE3 4Å; P429-W434 HydrophobicContact CG-CE3 3.88Å; P429-W434 HydrophobicContact CG-CZ3 4.32Å
430N94.8Very high94Very high117 Ų11772.5 Ų72.563%0.62637%0.365SS*.BIsolated β-bridgetrans-112.8123.2171.2-175.5-74.4000108.3T428 G432 V433T428-N430 PolarHBondContact O-N 2.96Å; N430-G432 PolarHBondContact O-N 2.83Å; N430-G432 VanDerWaalsContact O-N 3.08Å; N430-V433 PolarHBondContact N-O 2.85Å; N430-V433 PolarHBondContact O-N 3.47Å
431Q92.2Very high94.2Very high106 Ų10672.5 Ų72.550%0.49536%0.363SS..THydrogen-bonded Turntrans48.339.8-176.6-62.1179.5-800112.8A753Q431-A753 WeakPolarHBondContact O-CB 3.27Å
432G93.4Very high94.5Very high3 Ų375.2 Ų75.23%0.03136%0.363CS..THydrogen-bonded Turntrans7714.9179.300000115.8N430 R794 S795N430-G432 PolarHBondContact O-N 2.83Å; N430-G432 VanDerWaalsContact O-N 3.08Å; G432-R794 WeakPolarHBondContact O-CA 3.49Å; G432-S795 PolarHBondContact O-N 3.1Å
433V96.9Very high95Very high48 Ų4866.8 Ų66.829%0.29134%0.337SS..BIsolated β-bridgetrans-132.5144.2-178.9-172.70000111.1P429 N430 R794P429-V433 WeakPolarHBondContact CA-O 3.39Å; N430-V433 PolarHBondContact N-O 2.85Å; N430-V433 PolarHBondContact O-N 3.47Å; V433-R794 HydrophobicContact CG1-CG 4.39Å; V433-R794 VanDerWaalsContact CG2-CZ 3.42Å; V433-R794 VanDerWaalsContact CG2-NH1 3.29Å
434W97.4Very high95.5Very high17 Ų1763.5 Ų63.56%0.06433%0.326CS..  trans-141.6178.7165.365.399.8000109.4L417 Y419 A427 P429 H787 T793 R794L417-W434 HydrophobicContact CD1-CD2 3.5Å; L417-W434 HydrophobicContact CD1-CE3 3.88Å; L417-W434 HydrophobicContact CD1-CG 4.12Å; L417-W434 HydrophobicContact CD1-CH2 3.68Å; L417-W434 HydrophobicContact CD1-CZ2 3.28Å; L417-W434 HydrophobicContact CD1-CZ3 3.94Å; Y419-W434 VanDerWaalsContact OH-CD1 3.3Å; Y419-W434 PolarHBondContact OH-NE1 3.41Å; A427-W434 HydrophobicContact CB-CB 4.24Å; A427-W434 HydrophobicContact CB-CG 4.23Å; P429-W434 HydrophobicContact CB-CE3 4Å; P429-W434 HydrophobicContact CG-CE3 3.88Å; P429-W434 HydrophobicContact CG-CZ3 4.32Å; W434-H787 HydrophobicContact CH2-CB 4.27Å; W434-H787 AromaticContact CZ3-CD2 3.68Å; W434-T793 VanDerWaalsContact CE2-C 3.45Å; W434-T793 VanDerWaalsContact CZ2-CA 3.47Å; W434-T793 PolarHBondContact N-O 2.94Å; W434-T793 VanDerWaalsContact NE1-CB 3.34Å; W434-T793 WeakPolarHBondContact O-CB 3.47Å; W434-T793 PolarHBondContact O-OG1 3.42Å; W434-R794 VanDerWaalsContact CH2-N 3.29Å; W434-R794 WeakPolarHBondContact CH2-O 3.39Å; W434-R794 VanDerWaalsContact CZ3-CA 3.44Å
435D93.1Very high95.8Very high43 Ų4355.9 Ų55.923%0.2330%0.299CS..  trans-136.5171.6174.169.244.6000112.3R437 K439D435-R437 WeakPolarHBondContact OD1-CB 3.3Å; D435-R437 PolarHBondContact OD1-N 2.92Å; D435-R437 IonicContact OD1-NE 3.26Å; D435-R437 IonicContact OD2-CZ 2.69Å; D435-R437 IonicContact OD2-NE 3.15Å; D435-R437 PolarHBondContact OD2-NE 3.06Å; D435-R437 IonicContact OD2-NH2 3.69Å; D435-R437 PolarHBondContact OD2-NH2 3.2Å; D435-K439 WeakPolarHBondContact O-CD 3.41Å; D435-K439 WeakPolarHBondContact O-CE 3.5Å; D435-K439 PolarHBondContact O-NZ 2.9Å; D435-K439 IonicContact OD1-NZ 2.78Å; D435-K439 PolarHBondContact OD1-NZ 3.38Å
436M93.1Very high96Very high18 Ų1858.6 Ų58.69%0.08931%0.309CS..  trans-97.210.5177.8-69.5-163.863.400114.3Y419 G438 K439 F441 A480 L564 T793Y419-M436 HydrophobicContact CD1-CE 4.31Å; Y419-M436 HydrophobicContact CE1-CE 3.83Å; Y419-M436 HydrophobicContact CE1-CG 4.01Å; Y419-M436 HydrophobicContact CE1-SD 4.21Å; M436-G438 PolarHBondContact O-N 3.29Å; M436-K439 PolarHBondContact O-N 3.47Å; M436-F441 HydrophobicContact CE-CD1 3.55Å; M436-F441 HydrophobicContact CE-CE1 3.42Å; M436-F441 VanDerWaalsContact CE-CE1 3.42Å; M436-F441 HydrophobicContact CE-CG 4.28Å; M436-F441 HydrophobicContact CE-CZ 4.04Å; M436-F441 HydrophobicContact SD-CD1 4.27Å; M436-F441 HydrophobicContact SD-CE1 3.62Å; M436-F441 HydrophobicContact SD-CZ 4.23Å; M436-A480 HydrophobicContact CE-CB 4.1Å; M436-L564 HydrophobicContact SD-CD2 3.35Å; M436-L564 WeakPolarHBondContact SD-CD2 3.33Å; M436-T793 HydrophobicContact CG-CG2 3.77Å
437R92.3Very high96.1Very high199 Ų19954 Ų5475%0.75129%0.285SS*.THydrogen-bonded Turntrans-63.1125.7179.8-68.4-180-69.1169.9-0.8109.4D435 K439D435-R437 WeakPolarHBondContact OD1-CB 3.3Å; D435-R437 PolarHBondContact OD1-N 2.92Å; D435-R437 IonicContact OD1-NE 3.26Å; D435-R437 IonicContact OD2-CZ 2.69Å; D435-R437 IonicContact OD2-NE 3.15Å; D435-R437 PolarHBondContact OD2-NE 3.06Å; D435-R437 IonicContact OD2-NH2 3.69Å; D435-R437 PolarHBondContact OD2-NH2 3.2Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 WeakPolarHBondContact O-CG 3.3Å; R437-K439 PolarHBondContact O-N 2.84Å; R437-K439 PolarHBondContact O-NZ 3.17Å
438G92.8Very high96.2Very high66 Ų6659.6 Ų59.668%0.6831%0.308SS*.THydrogen-bonded Turntrans70.914.8-175.500000115.1N423 M436N423-G438 PolarHBondContact ND2-O 2.84Å; M436-G438 PolarHBondContact O-N 3.29Å
439K96.9Very high96.3Very high30 Ų3056.9 Ų56.913%0.1329%0.292CS..  trans-125.8141-175.1-47.4-178.1-16866.60110.9Y419 A425 A427 D435 M436 R437Y419-K439 HydrophobicContact CD1-CB 4.05Å; Y419-K439 HydrophobicContact CD2-CB 4.29Å; Y419-K439 HydrophobicContact CD2-CD 3.77Å; Y419-K439 HydrophobicContact CE1-CB 4.47Å; Y419-K439 HydrophobicContact CE2-CD 3.84Å; Y419-K439 HydrophobicContact CG-CB 3.93Å; Y419-K439 HydrophobicContact CG-CD 4.29Å; A425-K439 HydrophobicContact CB-CB 4.36Å; A425-K439 HydrophobicContact CB-CG 3.92Å; A427-K439 HydrophobicContact CB-CD 4.05Å; D435-K439 WeakPolarHBondContact O-CD 3.41Å; D435-K439 WeakPolarHBondContact O-CE 3.5Å; D435-K439 PolarHBondContact O-NZ 2.9Å; D435-K439 IonicContact OD1-NZ 2.78Å; D435-K439 PolarHBondContact OD1-NZ 3.38Å; M436-K439 PolarHBondContact O-N 3.47Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 WeakPolarHBondContact O-CG 3.3Å; R437-K439 PolarHBondContact O-N 2.84Å; R437-K439 PolarHBondContact O-NZ 3.17Å
440Q98.3Very high96.4Very high66 Ų6656.3 Ų56.331%0.30829%0.288SS..BIsolated β-bridgetrans-112.7151176.2-69.6-176.5-29.100110.7Y419 G420 D479 A480Y419-Q440 VanDerWaalsContact CB-O 3.28Å; Y419-Q440 WeakPolarHBondContact CB-O 3.05Å; Y419-Q440 VanDerWaalsContact CD1-O 3.3Å; Y419-Q440 WeakPolarHBondContact CD1-O 3.45Å; G420-Q440 PolarHBondContact N-O 3.18Å; Q440-D479 WeakPolarHBondContact CG-O 3.49Å; Q440-A480 CarbonylContact C-O 3.59Å; Q440-A480 WeakPolarHBondContact CA-O 3.46Å
441F98.5Very high96.6Very high5 Ų550.8 Ų50.82%0.02226%0.258CS..  trans-52.3144177.9-67-50000112.5G420 M436 N443 A480 M482 C563 L564 N567 N574G420-F441 WeakPolarHBondContact CA-O 3.47Å; M436-F441 HydrophobicContact CE-CD1 3.55Å; M436-F441 HydrophobicContact CE-CE1 3.42Å; M436-F441 VanDerWaalsContact CE-CE1 3.42Å; M436-F441 HydrophobicContact CE-CG 4.28Å; M436-F441 HydrophobicContact CE-CZ 4.04Å; M436-F441 HydrophobicContact SD-CD1 4.27Å; M436-F441 HydrophobicContact SD-CE1 3.62Å; M436-F441 HydrophobicContact SD-CZ 4.23Å; F441-N443 VanDerWaalsContact C-N 3.3Å; F441-N443 PolarHBondContact O-N 3.43Å; F441-A480 HydrophobicContact CD2-CB 4.28Å; F441-A480 WeakPolarHBondContact CD2-O 3.41Å; F441-A480 HydrophobicContact CE2-CB 3.83Å; F441-A480 WeakPolarHBondContact CG-O 3.41Å; F441-A480 HydrophobicContact CZ-CB 4.18Å; F441-A480 PolarHBondContact N-O 3.36Å; F441-M482 HydrophobicContact CD2-CB 3.78Å; F441-M482 HydrophobicContact CE2-CB 3.79Å; F441-M482 HydrophobicContact CE2-SD 4.37Å; F441-C563 HydrophobicContact CE2-CB 4.36Å; F441-C563 HydrophobicContact CZ-CB 4.24Å; F441-L564 HydrophobicContact CE1-CD2 3.53Å; F441-L564 HydrophobicContact CZ-CD2 3.95Å; F441-N567 HydrophobicContact CD2-CB 4.02Å; F441-N567 HydrophobicContact CE2-CB 3.77Å; F441-N567 HydrophobicContact CZ-CB 4.16Å; F441-N574 WeakPolarHBondContact CA-O 3.39Å; F441-N574 VanDerWaalsContact CD1-CA 3.48Å; F441-N574 HydrophobicContact CD1-CB 3.74Å; F441-N574 HydrophobicContact CE1-CB 3.89Å; F441-N574 WeakPolarHBondContact CE1-OD1 3.43Å
442Y98.3Very high96.9Very high93 Ų9345.8 Ų45.837%0.36524%0.235SC..THydrogen-bonded Turntrans-54.8-47.9176.6-176.7-92.6000111.7Q418 I573 N574 I576 H620Q418-Y442 HydrophobicContact CG-CD2 4.35Å; Q418-Y442 HydrophobicContact CG-CE2 4.32Å; Y442-I573 HydrophobicContact CD1-CB 4.13Å; Y442-I573 HydrophobicContact CD1-CD1 4.4Å; Y442-I573 HydrophobicContact CD1-CG2 3.84Å; Y442-I573 HydrophobicContact CG-CG2 4.23Å; Y442-I573 PolarHBondContact N-O 3.31Å; Y442-I573 VanDerWaalsContact N-O 3.15Å; Y442-N574 PolarHBondContact N-O 3.07Å; Y442-I576 HydrophobicContact CD1-CG2 4.04Å; Y442-I576 HydrophobicContact CD2-CD1 4.03Å; Y442-I576 HydrophobicContact CD2-CG1 3.96Å; Y442-I576 HydrophobicContact CD2-CG2 4.33Å; Y442-I576 HydrophobicContact CE1-CD1 4.42Å; Y442-I576 HydrophobicContact CE1-CG2 4.3Å; Y442-I576 HydrophobicContact CE2-CD1 3.47Å; Y442-I576 VanDerWaalsContact CE2-CD1 3.47Å; Y442-I576 HydrophobicContact CE2-CG1 3.93Å; Y442-I576 HydrophobicContact CG-CG2 4.05Å; Y442-H620 AromaticContact CE1-NE2 3.96Å
443N98.1Very high97.1Very high77 Ų7745.6 Ų45.641%0.41223%0.233SC..BIsolated β-bridgetrans-130.7100.7166.4-177.120.5000108.3F441 N567 G572 I573F441-N443 VanDerWaalsContact C-N 3.3Å; F441-N443 PolarHBondContact O-N 3.43Å; N443-N567 PolarHBondContact O-ND2 3.45Å; N443-N567 VanDerWaalsContact O-ND2 3.13Å; N443-G572 CarbonylContact O-C 3.56Å; N443-G572 VanDerWaalsContact O-CA 3.26Å; N443-G572 WeakPolarHBondContact O-CA 3.5Å; N443-I573 HydrophobicContact CB-CB 3.91Å; N443-I573 HydrophobicContact CB-CG1 4.26Å; N443-I573 PolarHBondContact N-O 3.22Å; N443-I573 PolarHBondContact O-N 3.44Å
444G97.6Very high97.2Very high26 Ų2643.3 Ų43.327%0.26822%0.22SC..PPolyproline II helixtrans-91.9130.517900000111.8G481 N567G444-G481 WeakPolarHBondContact CA-O 3.24Å; G444-N567 WeakPolarHBondContact CA-OD1 3.42Å
445I98.3Very high97.2Very high32 Ų3243 Ų4316%0.16422%0.219CC..PPolyproline II helixtrans-81.9133.6178.7-56.5-57.6000110.9M482 N567 L570I445-M482 CarbonylContact O-C 3.56Å; I445-M482 WeakPolarHBondContact O-CA 3.41Å; I445-M482 WeakPolarHBondContact O-CG 3.36Å; I445-N567 PolarHBondContact N-OD1 3.03Å; I445-L570 HydrophobicContact CB-CB 4.21Å; I445-L570 HydrophobicContact CG1-CB 4.04Å; I445-L570 HydrophobicContact CG2-CB 3.95Å; I445-L570 HydrophobicContact CG2-CD1 4.25Å
446E98.3Very high97.4Very high77 Ų7741.1 Ų41.136%0.3621%0.209SC..PPolyproline II helixtrans-80.2122.9167.8-175.2-174-164.400109.9K448 P483 Q485 Q515E446-K448 HydrophobicContact CG-CG 4.21Å; E446-K448 VanDerWaalsContact OE1-CE 3.29Å; E446-K448 WeakPolarHBondContact OE1-CE 3.47Å; E446-K448 IonicContact OE1-NZ 3.69Å; E446-K448 WeakPolarHBondContact OE2-CE 3.46Å; E446-K448 IonicContact OE2-NZ 3.95Å; E446-K448 PolarHBondContact OE2-NZ 2.66Å; E446-P483 HydrophobicContact CB-CG 4.36Å; E446-P483 HydrophobicContact CG-CG 4.23Å; E446-Q485 VanDerWaalsContact OE1-CD 3.25Å; E446-Q485 PolarHBondContact OE1-NE2 3.39Å; E446-Q515 PolarHBondContact O-NE2 3.27Å
447I98.6Very high97.5Very high0 Ų043.1 Ų43.10%022%0.223CC..BIsolated β-bridgetrans-104.5106.5-177.8-55.8176.9000108.5W450 M482 P483 I484 Q485 I566 L570I447-W450 HydrophobicContact CG2-CB 3.83Å; I447-W450 HydrophobicContact CG2-CG 3.97Å; I447-M482 HydrophobicContact CD1-CE 3.93Å; I447-M482 HydrophobicContact CD1-CG 4.07Å; I447-M482 HydrophobicContact CD1-SD 3.93Å; I447-M482 HydrophobicContact CG1-CG 4.43Å; I447-P483 PolarHBondContact N-O 2.92Å; I447-I484 HydrophobicContact CB-CG1 4.06Å; I447-I484 HydrophobicContact CD1-CD1 4.46Å; I447-I484 HydrophobicContact CD1-CG1 3.83Å; I447-I484 HydrophobicContact CG1-CG1 4.38Å; I447-I484 HydrophobicContact CG2-CG1 4.49Å; I447-Q485 PolarHBondContact O-N 2.76Å; I447-I566 HydrophobicContact CD1-CG2 3.57Å; I447-L570 HydrophobicContact CD1-CD1 3.55Å; I447-L570 HydrophobicContact CG1-CD1 3.6Å
448K98.2Very high97.5Very high120 Ų12038.8 Ų38.852%0.52221%0.211SC..  trans-97.5-47.6-177.4-60.5-177.7-178.71800112.2E446E446-K448 HydrophobicContact CG-CG 4.21Å; E446-K448 VanDerWaalsContact OE1-CE 3.29Å; E446-K448 WeakPolarHBondContact OE1-CE 3.47Å; E446-K448 IonicContact OE1-NZ 3.69Å; E446-K448 WeakPolarHBondContact OE2-CE 3.46Å; E446-K448 IonicContact OE2-NZ 3.95Å; E446-K448 PolarHBondContact OE2-NZ 2.66Å
449V98.4Very high97.5Very high39 Ų3945.2 Ų45.224%0.23622%0.22CC..SBendtrans-120.5113.8-175.4-1710000109.4C489 L514 Q515V449-C489 HydrophobicContact CG1-CB 4.39Å; V449-L514 HydrophobicContact CG1-CB 4.29Å; V449-L514 HydrophobicContact CG1-CD1 4.16Å; V449-Q515 WeakPolarHBondContact O-CB 3.45Å; V449-Q515 PolarHBondContact O-N 3.46Å
450W98.8Very high97.3Very high1 Ų148.5 Ų48.50%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-151.3154.6-176.266.3-76.1000111.3I447 I452 T470 I484 Q485 P488 C489 L516 I518I447-W450 HydrophobicContact CG2-CB 3.83Å; I447-W450 HydrophobicContact CG2-CG 3.97Å; W450-I452 HydrophobicContact CE3-CG1 4.22Å; W450-I452 HydrophobicContact CH2-CD1 4.03Å; W450-I452 HydrophobicContact CH2-CG1 4.3Å; W450-I452 HydrophobicContact CZ3-CD1 3.69Å; W450-I452 HydrophobicContact CZ3-CG1 3.52Å; W450-T470 HydrophobicContact CH2-CG2 3.55Å; W450-T470 HydrophobicContact CZ2-CG2 3.93Å; W450-I484 HydrophobicContact CD2-CG2 4.23Å; W450-I484 VanDerWaalsContact CE2-CG2 3.48Å; W450-I484 HydrophobicContact CG-CG2 4.48Å; W450-I484 HydrophobicContact CZ2-CG2 3.78Å; W450-I484 VanDerWaalsContact NE1-CG2 3.29Å; W450-Q485 PolarHBondContact NE1-O 3.48Å; W450-P488 HydrophobicContact CD2-CB 4Å; W450-P488 HydrophobicContact CE3-CB 3.88Å; W450-P488 HydrophobicContact CH2-CB 3.76Å; W450-P488 HydrophobicContact CH2-CG 3.84Å; W450-P488 HydrophobicContact CZ2-CB 3.88Å; W450-P488 VanDerWaalsContact CZ2-CD 3.43Å; W450-P488 HydrophobicContact CZ2-CG 4.11Å; W450-P488 HydrophobicContact CZ3-CB 3.78Å; W450-P488 HydrophobicContact CZ3-CG 4.21Å; W450-P488 CarbonylContact O-C 3.48Å; W450-P488 VanDerWaalsContact O-CA 3.23Å; W450-P488 WeakPolarHBondContact O-CA 3.37Å; W450-P488 WeakPolarHBondContact O-CB 3.19Å; W450-C489 PolarHBondContact O-N 3.18Å; W450-C489 PolarHBondContact O-SG 3.44Å; W450-L516 CarbonylContact C-O 3.55Å; W450-L516 VanDerWaalsContact CA-O 3.3Å; W450-L516 WeakPolarHBondContact CA-O 3.26Å; W450-L516 HydrophobicContact CB-CB 4.24Å; W450-I518 HydrophobicContact CE3-CD1 4.14Å; W450-I518 HydrophobicContact CZ3-CD1 3.99Å
451A98.8Very high97.2Very high0 Ų045.4 Ų45.40%022%0.222CC..EExtended strand (participates in β ladder)trans-129.8158.1-174.700000112.6F490 L507 L514 L516 I518A451-F490 CarbonylContact C-O 3.54Å; A451-F490 WeakPolarHBondContact CA-O 3.48Å; A451-F490 HydrophobicContact CB-CB 3.96Å; A451-F490 HydrophobicContact CB-CD1 4.43Å; A451-L507 HydrophobicContact CB-CD1 4.3Å; A451-L507 HydrophobicContact CB-CD2 4Å; A451-L514 HydrophobicContact CB-CD1 4.2Å; A451-L516 PolarHBondContact N-O 3.15Å; A451-I518 PolarHBondContact O-N 2.8Å
452I98.8Very high97.1Very high1 Ų152.6 Ų52.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-117.7127.3170.6-59.8-178.3000109.9W450 T470 P488 F490 C491 K492 I518 I520W450-I452 HydrophobicContact CE3-CG1 4.22Å; W450-I452 HydrophobicContact CH2-CD1 4.03Å; W450-I452 HydrophobicContact CH2-CG1 4.3Å; W450-I452 HydrophobicContact CZ3-CD1 3.69Å; W450-I452 HydrophobicContact CZ3-CG1 3.52Å; I452-T470 WeakPolarHBondContact CD1-OG1 3.49Å; I452-P488 HydrophobicContact CD1-CG 4.08Å; I452-P488 HydrophobicContact CG1-CB 4.19Å; I452-P488 HydrophobicContact CG1-CG 4.23Å; I452-F490 PolarHBondContact N-O 2.9Å; I452-C491 HydrophobicContact CB-CB 4.31Å; I452-C491 WeakPolarHBondContact O-CA 3.17Å; I452-K492 PolarHBondContact O-N 2.81Å; I452-I518 WeakPolarHBondContact CA-O 3.31Å; I452-I518 HydrophobicContact CG1-CB 4.43Å; I452-I520 HydrophobicContact CG2-CD1 3.97Å
453A98.6Very high96.9Very high0 Ų054.3 Ų54.30%026%0.26CS..EExtended strand (participates in β ladder)trans-116111.716900000109.6F455 M503 I517 I518 V519 I520A453-F455 HydrophobicContact CB-CD2 4.47Å; A453-F455 HydrophobicContact CB-CE2 3.92Å; A453-M503 HydrophobicContact CB-SD 3.63Å; A453-I517 HydrophobicContact CB-CG2 4.24Å; A453-I518 PolarHBondContact N-O 3.43Å; A453-V519 CarbonylContact O-C 3.54Å; A453-V519 VanDerWaalsContact O-CA 3.32Å; A453-V519 WeakPolarHBondContact O-CA 3.41Å; A453-I520 PolarHBondContact O-N 2.82Å
454C98.4Very high96.8Very high0 Ų057.7 Ų57.70%027%0.273CS..EExtended strand (participates in β ladder)trans-100.4106.9-176.6-168.40000111.6L466 K492 Y493 A494 I520C454-L466 HydrophobicContact CB-CD1 4.41Å; C454-K492 PolarHBondContact N-O 2.71Å; C454-Y493 HydrophobicContact CB-CD1 3.74Å; C454-Y493 HydrophobicContact CB-CE1 3.96Å; C454-Y493 HydrophobicContact CB-CG 4.42Å; C454-Y493 CarbonylContact O-C 3.58Å; C454-Y493 VanDerWaalsContact O-CA 3.24Å; C454-Y493 WeakPolarHBondContact O-CA 3.05Å; C454-A494 PolarHBondContact O-N 2.88Å; C454-I520 HydrophobicContact CB-CB 4.42Å
455F97.9Very high96.8Very high11 Ų1158.1 Ų58.15%0.04827%0.271CS..  trans-94.43.7175.3-69.6-97.8000113.1A453 A494 G496 V500 V519 I520 L521 V527A453-F455 HydrophobicContact CB-CD2 4.47Å; A453-F455 HydrophobicContact CB-CE2 3.92Å; F455-A494 WeakPolarHBondContact CA-O 3.23Å; F455-A494 HydrophobicContact CD1-CB 3.95Å; F455-A494 HydrophobicContact CE1-CB 3.61Å; F455-A494 HydrophobicContact CE2-CB 4.47Å; F455-A494 HydrophobicContact CZ-CB 3.88Å; F455-G496 WeakPolarHBondContact CE1-O 3.49Å; F455-V500 HydrophobicContact CE1-CG2 3.77Å; F455-V500 HydrophobicContact CE2-CG2 4.41Å; F455-V500 HydrophobicContact CZ-CB 4.4Å; F455-V500 HydrophobicContact CZ-CG2 3.56Å; F455-V519 HydrophobicContact CD2-CG1 3.66Å; F455-V519 HydrophobicContact CE2-CG1 3.9Å; F455-I520 WeakPolarHBondContact CA-O 3.18Å; F455-I520 WeakPolarHBondContact CB-O 3.33Å; F455-I520 PolarHBondContact N-O 2.91Å; F455-L521 HydrophobicContact CB-CD2 4.22Å; F455-V527 HydrophobicContact CB-CG1 4.27Å; F455-V527 HydrophobicContact CD1-CG1 3.73Å; F455-V527 HydrophobicContact CD1-CG2 4.31Å; F455-V527 HydrophobicContact CD2-CG1 4.12Å; F455-V527 HydrophobicContact CE1-CG1 4.03Å; F455-V527 HydrophobicContact CE2-CG1 4.4Å; F455-V527 HydrophobicContact CG-CG1 3.78Å; F455-V527 HydrophobicContact CZ-CG1 4.36Å
456A96.4Very high96.8Very high2 Ų256.9 Ų56.92%0.01727%0.265CS..SBendtrans-82.7142.2169.900000109.7Q458 C461 I520 P522 V548A456-Q458 PolarHBondContact O-N 2.58Å; A456-C461 HydrophobicContact CB-CB 4Å; A456-I520 HydrophobicContact CB-CG2 4.21Å; A456-P522 HydrophobicContact CB-CB 4.41Å; A456-V548 HydrophobicContact CB-CB 3.93Å; A456-V548 HydrophobicContact CB-CG2 3.78Å
457P94.5Very high96.7Very high60 Ų6059.6 Ų59.639%0.3928%0.275SS..  trans-55.8137.2176.7-24.333.4000111.6K459 Q460 C461P457-K459 PolarHBondContact O-N 2.94Å; P457-K459 VanDerWaalsContact O-N 3.14Å; P457-Q460 WeakPolarHBondContact O-CA 3.47Å; P457-Q460 WeakPolarHBondContact O-CB 3.35Å; P457-Q460 PolarHBondContact O-N 2.78Å; P457-C461 PolarHBondContact O-N 3.41Å
458Q93.8Very high96.7Very high109 Ų10963.2 Ų63.251%0.50929%0.294SS..THydrogen-bonded Turntrans-56.3-34.3-177.8-173.1178.112.300112.8A456 Q460 C461 R462 Y493A456-Q458 PolarHBondContact O-N 2.58Å; Q458-Q460 VanDerWaalsContact C-N 3.26Å; Q458-Q460 PolarHBondContact O-N 2.87Å; Q458-C461 CarbonylContact O-C 3.22Å; Q458-C461 PolarHBondContact O-N 3.43Å; Q458-R462 WeakPolarHBondContact O-CA 3.37Å; Q458-R462 WeakPolarHBondContact O-CG 3.47Å; Q458-R462 PolarHBondContact O-N 3.18Å; Q458-Y493 HydrophobicContact CB-CD1 4.19Å; Q458-Y493 HydrophobicContact CB-CE1 3.96Å; Q458-Y493 HydrophobicContact CB-CE2 4.43Å; Q458-Y493 HydrophobicContact CG-CD2 4.47Å; Q458-Y493 HydrophobicContact CG-CE1 4.14Å; Q458-Y493 HydrophobicContact CG-CE2 3.93Å
459K92.9Very high96.7Very high200 Ų20057.5 Ų57.587%0.8727%0.27SS*.THydrogen-bonded Turntrans-59.3-36.1174.9-67.9-175.1177.8-178.50112.9P457P457-K459 PolarHBondContact O-N 2.94Å; P457-K459 VanDerWaalsContact O-N 3.14Å
460Q92.3Very high96.7Very high100 Ų10055.9 Ų55.947%0.46726%0.26SS..THydrogen-bonded Turntrans-85.1-32.2179.2-171-177.518.100112.3P457 Q458 V548P457-Q460 WeakPolarHBondContact O-CA 3.47Å; P457-Q460 WeakPolarHBondContact O-CB 3.35Å; P457-Q460 PolarHBondContact O-N 2.78Å; Q458-Q460 VanDerWaalsContact C-N 3.26Å; Q458-Q460 PolarHBondContact O-N 2.87Å; Q460-V548 HydrophobicContact CG-CG2 4.17Å
461C95.4Very high96.7Very high0 Ų058.6 Ų58.60%028%0.275CS..SBendtrans-132.580.4-176.6-167.10000109.9A456 P457 Q458 L466 Y493 V548A456-C461 HydrophobicContact CB-CB 4Å; P457-C461 PolarHBondContact O-N 3.41Å; Q458-C461 CarbonylContact O-C 3.22Å; Q458-C461 PolarHBondContact O-N 3.43Å; C461-L466 VanDerWaalsContact SG-CD2 3.57Å; C461-Y493 WeakPolarHBondContact O-CE1 3.22Å; C461-Y493 VanDerWaalsContact O-CZ 3.31Å; C461-Y493 PolarHBondContact O-OH 3.36Å; C461-V548 HydrophobicContact CB-CG2 3.7Å
462R96.3Very high96.7Very high157 Ų15762.1 Ų62.159%0.59229%0.291SS*.  trans-68.7164.3-178.6-58.3179.7-172.6178.9-0.7111.9Q458 E464 V465 L466 Y493Q458-R462 WeakPolarHBondContact O-CA 3.37Å; Q458-R462 WeakPolarHBondContact O-CG 3.47Å; Q458-R462 PolarHBondContact O-N 3.18Å; R462-E464 VanDerWaalsContact C-N 3.3Å; R462-E464 PolarHBondContact O-N 3Å; R462-V465 HydrophobicContact CB-CG2 4.46Å; R462-V465 WeakPolarHBondContact O-CB 3.42Å; R462-V465 PolarHBondContact O-N 3.25Å; R462-L466 PolarHBondContact O-N 3.27Å; R462-Y493 VanDerWaalsContact C-OH 3.23Å
463E95.2Very high96.6Very high128 Ų12862.1 Ų62.160%0.59829%0.291SS*.Hα-helixtrans-61.7-37.3-179.1-66.5-174.2173.800112.8V465 L466 K467 Y493E463-V465 PolarHBondContact O-N 2.81Å; E463-L466 WeakPolarHBondContact O-CB 3.36Å; E463-L466 PolarHBondContact O-N 3.35Å; E463-L466 VanDerWaalsContact O-N 3.08Å; E463-K467 PolarHBondContact O-N 2.65Å; E463-Y493 HydrophobicContact CG-CE2 3.98Å; E463-Y493 PolarHBondContact N-OH 2.82Å
464E96.4Very high96.6Very high148 Ų14865.6 Ų65.669%0.69230%0.304SS*.Hα-helixtrans-57.5-39173.7-65.3169.5-177.600112.3R462 K467 N468R462-E464 VanDerWaalsContact C-N 3.3Å; R462-E464 PolarHBondContact O-N 3Å; E464-K467 PolarHBondContact O-N 3.49Å; E464-N468 WeakPolarHBondContact O-CB 3.24Å; E464-N468 PolarHBondContact O-N 3.15Å
465V97.4Very high96.6Very high36 Ų3671.7 Ų71.722%0.21833%0.331CS..Hα-helixtrans-67.3-40.5177176.80000110.3R462 E463 F469 V551 V552R462-V465 HydrophobicContact CB-CG2 4.46Å; R462-V465 WeakPolarHBondContact O-CB 3.42Å; R462-V465 PolarHBondContact O-N 3.25Å; E463-V465 PolarHBondContact O-N 2.81Å; V465-F469 VanDerWaalsContact O-CB 3.32Å; V465-F469 WeakPolarHBondContact O-CB 3.39Å; V465-F469 PolarHBondContact O-N 2.85Å; V465-V551 HydrophobicContact CG1-CG1 4.13Å; V465-V552 HydrophobicContact CG1-CB 4.42Å; V465-V552 HydrophobicContact CG1-CG2 4.07Å
466L97.4Very high96.6Very high6 Ų672.4 Ų72.43%0.03134%0.335CS..Hα-helixtrans-64-41.5175.4-63.5179.2000111.9C454 C461 R462 E463 T470 Y493 I520 V551C454-L466 HydrophobicContact CB-CD1 4.41Å; C461-L466 VanDerWaalsContact SG-CD2 3.57Å; R462-L466 PolarHBondContact O-N 3.27Å; E463-L466 WeakPolarHBondContact O-CB 3.36Å; E463-L466 PolarHBondContact O-N 3.35Å; E463-L466 VanDerWaalsContact O-N 3.08Å; L466-T470 WeakPolarHBondContact O-CB 3.31Å; L466-T470 PolarHBondContact O-N 3.3Å; L466-T470 PolarHBondContact O-OG1 2.82Å; L466-Y493 HydrophobicContact CD1-CE1 4.3Å; L466-Y493 HydrophobicContact CD1-CE2 4.42Å; L466-Y493 WeakPolarHBondContact CD1-OH 3.49Å; L466-I520 HydrophobicContact CD2-CD1 3.1Å; L466-V551 HydrophobicContact CD2-CG1 4.24Å
467K97.1Very high96.7Very high134 Ų13472.3 Ų72.358%0.58333%0.334SS*.Hα-helixtrans-63.8-50.8177.1-171.3177.3-179.6-178.80111.1E463 E464 F469 T470 D471E463-K467 PolarHBondContact O-N 2.65Å; E464-K467 PolarHBondContact O-N 3.49Å; K467-F469 PolarHBondContact O-N 2.78Å; K467-T470 WeakPolarHBondContact O-CB 3.31Å; K467-T470 PolarHBondContact O-N 2.76Å; K467-T470 VanDerWaalsContact O-N 3.12Å; K467-D471 PolarHBondContact O-N 3.24Å
468N97.8Very high96.8Very high75 Ų7576.4 Ų76.440%0.40135%0.346SS..Hα-helixtrans-59.7-44.4176.8178.655.2000112.1E464 T470 D471 Q472E464-N468 WeakPolarHBondContact O-CB 3.24Å; E464-N468 PolarHBondContact O-N 3.15Å; N468-T470 VanDerWaalsContact C-N 3.31Å; N468-T470 PolarHBondContact O-N 2.75Å; N468-D471 PolarHBondContact O-N 3.06Å; N468-Q472 VanDerWaalsContact O-CG 3.27Å; N468-Q472 WeakPolarHBondContact O-CG 3.16Å; N468-Q472 PolarHBondContact O-N 3.11Å
469F98.5Very high97Very high1 Ų175.6 Ų75.60%0.00435%0.345CS..Hα-helixtrans-57.3-45.8174.3166.6-99.9000111.9V465 K467 L473 I518 V546 V551 T554 L559 L562V465-F469 VanDerWaalsContact O-CB 3.32Å; V465-F469 WeakPolarHBondContact O-CB 3.39Å; V465-F469 PolarHBondContact O-N 2.85Å; K467-F469 PolarHBondContact O-N 2.78Å; F469-L473 HydrophobicContact CE1-CD2 4.07Å; F469-L473 HydrophobicContact CZ-CD2 3.93Å; F469-L473 VanDerWaalsContact O-CB 3.28Å; F469-L473 WeakPolarHBondContact O-CB 3.48Å; F469-L473 PolarHBondContact O-N 3.25Å; F469-I518 HydrophobicContact CE1-CG2 4.32Å; F469-V546 HydrophobicContact CZ-CG2 4.38Å; F469-V551 HydrophobicContact CB-CG1 3.63Å; F469-V551 HydrophobicContact CD1-CG1 4.19Å; F469-V551 HydrophobicContact CD2-CB 4.29Å; F469-V551 HydrophobicContact CD2-CG1 4.07Å; F469-V551 HydrophobicContact CD2-CG2 4.26Å; F469-V551 HydrophobicContact CE2-CG2 4.33Å; F469-V551 HydrophobicContact CG-CB 4.4Å; F469-V551 HydrophobicContact CG-CG1 3.69Å; F469-T554 HydrophobicContact CB-CG2 4.34Å; F469-T554 HydrophobicContact CD2-CG2 3.77Å; F469-L559 HydrophobicContact CD2-CD2 4.09Å; F469-L559 HydrophobicContact CE2-CD2 3.66Å; F469-L562 HydrophobicContact CE2-CD2 4.44Å; F469-L562 HydrophobicContact CZ-CD2 4.09Å
470T98.3Very high97.2Very high5 Ų566.3 Ų66.33%0.03131%0.306CS..Hα-helixtrans-61.7-48.4179.5-65.20000111.4W450 I452 L466 K467 N468 Q472 L473 R474W450-T470 HydrophobicContact CH2-CG2 3.55Å; W450-T470 HydrophobicContact CZ2-CG2 3.93Å; I452-T470 WeakPolarHBondContact CD1-OG1 3.49Å; L466-T470 WeakPolarHBondContact O-CB 3.31Å; L466-T470 PolarHBondContact O-N 3.3Å; L466-T470 PolarHBondContact O-OG1 2.82Å; K467-T470 WeakPolarHBondContact O-CB 3.31Å; K467-T470 PolarHBondContact O-N 2.76Å; K467-T470 VanDerWaalsContact O-N 3.12Å; N468-T470 VanDerWaalsContact C-N 3.31Å; N468-T470 PolarHBondContact O-N 2.75Å; T470-Q472 PolarHBondContact O-N 3.48Å; T470-L473 PolarHBondContact O-N 3.16Å; T470-R474 HydrophobicContact CG2-CG 4.25Å; T470-R474 WeakPolarHBondContact O-CB 3.28Å; T470-R474 WeakPolarHBondContact O-CG 3.25Å; T470-R474 PolarHBondContact O-N 2.96Å
471D98.1Very high97.4Very high58 Ų5862.4 Ų62.431%0.3129%0.292SS..Hα-helixtrans-64.4-41.8-178.2-68.4-28.4000111.7K467 N468 R474 K475K467-D471 PolarHBondContact O-N 3.24Å; N468-D471 PolarHBondContact O-N 3.06Å; D471-R474 PolarHBondContact O-N 2.73Å; D471-R474 IonicContact OD1-NH1 2.84Å; D471-K475 PolarHBondContact O-N 2.86Å
472Q98.3Very high97.6Very high73 Ų7362.4 Ų62.434%0.34129%0.292SS..Hα-helixtrans-65.4-42.4174.7-64.9-61.3-33.800111.9N468 T470 K475 I476 L559N468-Q472 VanDerWaalsContact O-CG 3.27Å; N468-Q472 WeakPolarHBondContact O-CG 3.16Å; N468-Q472 PolarHBondContact O-N 3.11Å; T470-Q472 PolarHBondContact O-N 3.48Å; Q472-K475 PolarHBondContact O-N 2.91Å; Q472-I476 WeakPolarHBondContact O-CG1 3.33Å; Q472-I476 PolarHBondContact O-N 3.02Å; Q472-L559 HydrophobicContact CB-CD1 3.65Å
473L98.4Very high97.6Very high2 Ų257 Ų571%0.0128%0.277CS..Hα-helixtrans-63.1-44.5177.1-179.961.2000111.1F469 T470 K475 I476 S477 I484 I518 L559 L562F469-L473 HydrophobicContact CE1-CD2 4.07Å; F469-L473 HydrophobicContact CZ-CD2 3.93Å; F469-L473 VanDerWaalsContact O-CB 3.28Å; F469-L473 WeakPolarHBondContact O-CB 3.48Å; F469-L473 PolarHBondContact O-N 3.25Å; T470-L473 PolarHBondContact O-N 3.16Å; L473-K475 PolarHBondContact O-N 2.83Å; L473-I476 PolarHBondContact O-N 2.77Å; L473-S477 WeakPolarHBondContact O-CB 3.5Å; L473-S477 PolarHBondContact O-N 2.89Å; L473-S477 PolarHBondContact O-OG 3.01Å; L473-I484 HydrophobicContact CD2-CD1 4.26Å; L473-I484 HydrophobicContact CG-CD1 4.03Å; L473-I518 HydrophobicContact CD2-CD1 3.65Å; L473-L559 HydrophobicContact CB-CD2 4.45Å; L473-L559 HydrophobicContact CD1-CB 4.45Å; L473-L559 HydrophobicContact CD1-CD2 4.26Å; L473-L562 HydrophobicContact CD1-CD2 4.14Å; L473-L562 HydrophobicContact CD2-CD2 4.4Å
474R98.4Very high97.8Very high72 Ų7251.5 Ų51.527%0.27225%0.252SS..Hα-helixtrans-59-46.7177.1-73.7174.968-142.62.2111.3T470 D471 S477 K478 I484 G486T470-R474 HydrophobicContact CG2-CG 4.25Å; T470-R474 WeakPolarHBondContact O-CB 3.28Å; T470-R474 WeakPolarHBondContact O-CG 3.25Å; T470-R474 PolarHBondContact O-N 2.96Å; D471-R474 PolarHBondContact O-N 2.73Å; D471-R474 IonicContact OD1-NH1 2.84Å; R474-S477 WeakPolarHBondContact CA-OG 3.3Å; R474-S477 PolarHBondContact O-N 3.36Å; R474-S477 PolarHBondContact O-OG 3.43Å; R474-K478 WeakPolarHBondContact O-CB 3.22Å; R474-K478 PolarHBondContact O-N 3.35Å; R474-I484 HydrophobicContact CG-CB 3.96Å; R474-I484 HydrophobicContact CG-CG2 3.84Å; R474-I484 PolarHBondContact NE-O 3.36Å; R474-G486 PolarHBondContact NE-O 3.14Å
475K98Very high97.7Very high128 Ų12848.7 Ų48.756%0.55724%0.239SC*.Hα-helixtrans-55.7-56.2175.3-177.9-179177.6179.90111.6D471 Q472 L473 S477 K478 D479D471-K475 PolarHBondContact O-N 2.86Å; Q472-K475 PolarHBondContact O-N 2.91Å; L473-K475 PolarHBondContact O-N 2.83Å; K475-S477 VanDerWaalsContact C-N 3.3Å; K475-S477 PolarHBondContact O-N 2.94Å; K475-K478 WeakPolarHBondContact O-CB 3.48Å; K475-K478 PolarHBondContact O-N 3.15Å; K475-D479 PolarHBondContact O-N 3.13Å
476I97.9Very high97.5Very high27 Ų2749 Ų4914%0.13825%0.249CC..Hα-helixtrans-62.9-36.5-178.7-63.4-64.2000112.1Q472 L473 D479 A480 P556 L559Q472-I476 WeakPolarHBondContact O-CG1 3.33Å; Q472-I476 PolarHBondContact O-N 3.02Å; L473-I476 PolarHBondContact O-N 2.77Å; I476-D479 PolarHBondContact O-N 3.41Å; I476-A480 WeakPolarHBondContact O-CB 3.29Å; I476-A480 PolarHBondContact O-N 2.9Å; I476-P556 HydrophobicContact CD1-CB 4.13Å; I476-L559 HydrophobicContact CB-CB 4.3Å; I476-L559 HydrophobicContact CG1-CB 4.2Å; I476-L559 HydrophobicContact CG1-CD1 4.24Å; I476-L559 HydrophobicContact CG2-CB 4.17Å
477S98Very high97.5Very high0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-64.5-4117776.90000112.2L473 R474 K475 A480 G481 M482 I484L473-S477 WeakPolarHBondContact O-CB 3.5Å; L473-S477 PolarHBondContact O-N 2.89Å; L473-S477 PolarHBondContact O-OG 3.01Å; R474-S477 WeakPolarHBondContact CA-OG 3.3Å; R474-S477 PolarHBondContact O-N 3.36Å; R474-S477 PolarHBondContact O-OG 3.43Å; K475-S477 VanDerWaalsContact C-N 3.3Å; K475-S477 PolarHBondContact O-N 2.94Å; S477-A480 CarbonylContact O-C 3.33Å; S477-A480 PolarHBondContact O-N 3.41Å; S477-G481 PolarHBondContact O-N 2.91Å; S477-M482 CarbonylContact C-O 3.44Å; S477-M482 WeakPolarHBondContact CB-O 3.41Å; S477-M482 CarbonylContact O-C 3.32Å; S477-M482 WeakPolarHBondContact O-CA 3.19Å; S477-M482 PolarHBondContact O-N 2.86Å; S477-M482 PolarHBondContact OG-O 2.82Å; S477-I484 WeakPolarHBondContact OG-CG1 3.45Å; S477-I484 PolarHBondContact OG-N 2.61Å
478K97.8Very high97.5Very high145 Ų14548.2 Ų48.263%0.6325%0.25SC*.Hα-helixtrans-65.1-45.1176-175.9-179.6178-177.70111.1R474 K475 A480 G481R474-K478 WeakPolarHBondContact O-CB 3.22Å; R474-K478 PolarHBondContact O-N 3.35Å; K475-K478 WeakPolarHBondContact O-CB 3.48Å; K475-K478 PolarHBondContact O-N 3.15Å; K478-A480 PolarHBondContact O-N 2.98Å; K478-G481 PolarHBondContact O-N 2.82Å
479D96.6Very high97.5Very high92 Ų9246.8 Ų46.849%0.49225%0.245SC..Hα-helixtrans-60.9-36177.3-64.6-17.8000111.5Q440 K475 I476 G481Q440-D479 WeakPolarHBondContact CG-O 3.49Å; K475-D479 PolarHBondContact O-N 3.13Å; I476-D479 PolarHBondContact O-N 3.41Å; D479-G481 VanDerWaalsContact C-N 3.27Å; D479-G481 PolarHBondContact O-N 3.02Å
480A97.3Very high97.5Very high6 Ų648 Ų485%0.0525%0.25CS..THydrogen-bonded Turntrans-78.6-1.6175.200000114.3M436 Q440 F441 I476 S477 K478M436-A480 HydrophobicContact CE-CB 4.1Å; Q440-A480 CarbonylContact C-O 3.59Å; Q440-A480 WeakPolarHBondContact CA-O 3.46Å; F441-A480 HydrophobicContact CD2-CB 4.28Å; F441-A480 WeakPolarHBondContact CD2-O 3.41Å; F441-A480 HydrophobicContact CE2-CB 3.83Å; F441-A480 WeakPolarHBondContact CG-O 3.41Å; F441-A480 HydrophobicContact CZ-CB 4.18Å; F441-A480 PolarHBondContact N-O 3.36Å; I476-A480 WeakPolarHBondContact O-CB 3.29Å; I476-A480 PolarHBondContact O-N 2.9Å; S477-A480 CarbonylContact O-C 3.33Å; S477-A480 PolarHBondContact O-N 3.41Å; K478-A480 PolarHBondContact O-N 2.98Å
481G97.5Very high97.5Very high17 Ų1750.3 Ų50.318%0.17527%0.266CS..THydrogen-bonded Turntrans77.318-179.200000115G444 S477 K478 D479 P483G444-G481 WeakPolarHBondContact CA-O 3.24Å; S477-G481 PolarHBondContact O-N 2.91Å; K478-G481 PolarHBondContact O-N 2.82Å; D479-G481 VanDerWaalsContact C-N 3.27Å; D479-G481 PolarHBondContact O-N 3.02Å; G481-P483 VanDerWaalsContact C-CD 3.47Å; G481-P483 WeakPolarHBondContact O-CD 3.33Å
482M98.3Very high97.5Very high0 Ų053.6 Ų53.60%028%0.278CS..  trans-116.272172.4-177-164.973.400108.8F441 I445 I447 S477 I484 C563 I566 N567F441-M482 HydrophobicContact CD2-CB 3.78Å; F441-M482 HydrophobicContact CE2-CB 3.79Å; F441-M482 HydrophobicContact CE2-SD 4.37Å; I445-M482 CarbonylContact O-C 3.56Å; I445-M482 WeakPolarHBondContact O-CA 3.41Å; I445-M482 WeakPolarHBondContact O-CG 3.36Å; I447-M482 HydrophobicContact CD1-CE 3.93Å; I447-M482 HydrophobicContact CD1-CG 4.07Å; I447-M482 HydrophobicContact CD1-SD 3.93Å; I447-M482 HydrophobicContact CG1-CG 4.43Å; S477-M482 CarbonylContact C-O 3.44Å; S477-M482 WeakPolarHBondContact CB-O 3.41Å; S477-M482 CarbonylContact O-C 3.32Å; S477-M482 WeakPolarHBondContact O-CA 3.19Å; S477-M482 PolarHBondContact O-N 2.86Å; S477-M482 PolarHBondContact OG-O 2.82Å; M482-I484 HydrophobicContact CE-CD1 4.45Å; M482-I484 PolarHBondContact O-N 2.89Å; M482-C563 HydrophobicContact CE-CB 3.88Å; M482-I566 HydrophobicContact CE-CB 4.07Å; M482-I566 HydrophobicContact CE-CG2 3.88Å; M482-I566 HydrophobicContact SD-CB 4.01Å; M482-I566 HydrophobicContact SD-CG2 3.7Å; M482-N567 HydrophobicContact CG-CB 4.38Å; M482-N567 VanDerWaalsContact SD-CA 3.56Å; M482-N567 HydrophobicContact SD-CB 3.61Å; M482-N567 PolarHBondContact SD-N 3.18Å; M482-N567 VanDerWaalsContact SD-N 3.41Å
483P97.9Very high97.4Very high45 Ų4552.8 Ų52.829%0.29227%0.272SS..  trans-66123.6-170.426.9-34000111.6E446 I447 G481E446-P483 HydrophobicContact CB-CG 4.36Å; E446-P483 HydrophobicContact CG-CG 4.23Å; I447-P483 PolarHBondContact N-O 2.92Å; G481-P483 VanDerWaalsContact C-CD 3.47Å; G481-P483 WeakPolarHBondContact O-CD 3.33Å
484I98.4Very high97.3Very high11 Ų1153.4 Ų53.46%0.05628%0.277CS..BIsolated β-bridgetrans-89108.5166.9-62.5167.4000108.9I447 W450 L473 R474 S477 M482I447-I484 HydrophobicContact CB-CG1 4.06Å; I447-I484 HydrophobicContact CD1-CD1 4.46Å; I447-I484 HydrophobicContact CD1-CG1 3.83Å; I447-I484 HydrophobicContact CG1-CG1 4.38Å; I447-I484 HydrophobicContact CG2-CG1 4.49Å; W450-I484 HydrophobicContact CD2-CG2 4.23Å; W450-I484 VanDerWaalsContact CE2-CG2 3.48Å; W450-I484 HydrophobicContact CG-CG2 4.48Å; W450-I484 HydrophobicContact CZ2-CG2 3.78Å; W450-I484 VanDerWaalsContact NE1-CG2 3.29Å; L473-I484 HydrophobicContact CD2-CD1 4.26Å; L473-I484 HydrophobicContact CG-CD1 4.03Å; R474-I484 HydrophobicContact CG-CB 3.96Å; R474-I484 HydrophobicContact CG-CG2 3.84Å; R474-I484 PolarHBondContact NE-O 3.36Å; S477-I484 WeakPolarHBondContact OG-CG1 3.45Å; S477-I484 PolarHBondContact OG-N 2.61Å; M482-I484 HydrophobicContact CE-CD1 4.45Å; M482-I484 PolarHBondContact O-N 2.89Å
485Q95.3Very high97Very high89 Ų8957.1 Ų57.142%0.41630%0.298SS..  trans-83.2142.5179.6-65.3-167.6-9.600111.6E446 I447 W450E446-Q485 VanDerWaalsContact OE1-CD 3.25Å; E446-Q485 PolarHBondContact OE1-NE2 3.39Å; I447-Q485 PolarHBondContact O-N 2.76Å; W450-Q485 PolarHBondContact NE1-O 3.48Å
486G93.1Very high96.7Very high43 Ų4353 Ų5344%0.44329%0.292SS..SBendtrans61-17017700000115.3R474R474-G486 PolarHBondContact NE-O 3.14Å
487Q96.9Very high96.5Very high98 Ų9852.9 Ų52.946%0.45830%0.295SS..SBendtrans-88.9162.1169.2-70.8-61.2-2600109.4
488P97.6Very high96.4Very high25 Ų2558.4 Ų58.416%0.16232%0.324CS..  trans-61.4141.4177.626-33.1000110.7W450 I452 F490 C491W450-P488 HydrophobicContact CD2-CB 4Å; W450-P488 HydrophobicContact CE3-CB 3.88Å; W450-P488 HydrophobicContact CH2-CB 3.76Å; W450-P488 HydrophobicContact CH2-CG 3.84Å; W450-P488 HydrophobicContact CZ2-CB 3.88Å; W450-P488 VanDerWaalsContact CZ2-CD 3.43Å; W450-P488 HydrophobicContact CZ2-CG 4.11Å; W450-P488 HydrophobicContact CZ3-CB 3.78Å; W450-P488 HydrophobicContact CZ3-CG 4.21Å; W450-P488 CarbonylContact O-C 3.48Å; W450-P488 VanDerWaalsContact O-CA 3.23Å; W450-P488 WeakPolarHBondContact O-CA 3.37Å; W450-P488 WeakPolarHBondContact O-CB 3.19Å; I452-P488 HydrophobicContact CD1-CG 4.08Å; I452-P488 HydrophobicContact CG1-CB 4.19Å; I452-P488 HydrophobicContact CG1-CG 4.23Å; P488-F490 PolarHBondContact O-N 3.45Å; P488-C491 HydrophobicContact CG-CB 4.22Å
489C97.9Very high96.3Very high46 Ų4653.8 Ų53.831%0.31131%0.31SS..SBendtrans-68.9-17.2178.267.30000112.7V449 W450 Y511V449-C489 HydrophobicContact CG1-CB 4.39Å; W450-C489 PolarHBondContact O-N 3.18Å; W450-C489 PolarHBondContact O-SG 3.44Å; C489-Y511 HydrophobicContact CB-CD1 3.68Å; C489-Y511 HydrophobicContact CB-CE1 3.75Å; C489-Y511 VanDerWaalsContact O-CE1 3.24Å; C489-Y511 WeakPolarHBondContact O-CE1 3.35Å; C489-Y511 PolarHBondContact O-OH 2.8Å; C489-Y511 VanDerWaalsContact O-OH 3.1Å; C489-Y511 WeakPolarHBondContact SG-CD1 3.04Å
490F98.1Very high96.4Very high25 Ų2549.4 Ų49.411%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-149133.7177178.8-87.4000110.2A451 I452 P488 K492 M503 L507 Y511A451-F490 CarbonylContact C-O 3.54Å; A451-F490 WeakPolarHBondContact CA-O 3.48Å; A451-F490 HydrophobicContact CB-CB 3.96Å; A451-F490 HydrophobicContact CB-CD1 4.43Å; I452-F490 PolarHBondContact N-O 2.9Å; P488-F490 PolarHBondContact O-N 3.45Å; F490-K492 HydrophobicContact CD1-CB 4.49Å; F490-K492 HydrophobicContact CD1-CG 4.47Å; F490-K492 HydrophobicContact CD2-CG 4.34Å; F490-K492 HydrophobicContact CE1-CB 3.6Å; F490-K492 HydrophobicContact CE1-CG 3.8Å; F490-K492 HydrophobicContact CE2-CB 4.31Å; F490-K492 HydrophobicContact CE2-CG 3.62Å; F490-K492 HydrophobicContact CZ-CB 3.5Å; F490-K492 VanDerWaalsContact CZ-CB 3.5Å; F490-K492 HydrophobicContact CZ-CG 3.33Å; F490-M503 HydrophobicContact CE1-CE 4.34Å; F490-M503 HydrophobicContact CE1-CG 4.33Å; F490-M503 HydrophobicContact CE1-SD 4.04Å; F490-M503 HydrophobicContact CZ-CE 4.28Å; F490-M503 HydrophobicContact CZ-CG 4.36Å; F490-M503 HydrophobicContact CZ-SD 4.41Å; F490-L507 HydrophobicContact CB-CD2 3.67Å; F490-L507 HydrophobicContact CD1-CD1 4.5Å; F490-L507 HydrophobicContact CD1-CD2 3.68Å; F490-L507 HydrophobicContact CD2-CD2 3.97Å; F490-L507 HydrophobicContact CE1-CD2 4.21Å; F490-L507 HydrophobicContact CE2-CD2 4.48Å; F490-L507 HydrophobicContact CG-CD2 3.52Å; F490-Y511 HydrophobicContact CB-CE2 3.92Å; F490-Y511 HydrophobicContact CD2-CE2 4.11Å; F490-Y511 HydrophobicContact CG-CE2 4.38Å
491C97.8Very high96.4Very high55 Ų5551 Ų5137%0.37229%0.294SS..EExtended strand (participates in β ladder)trans-143.9107172.8-175.70000109.8I452 P488I452-C491 HydrophobicContact CB-CB 4.31Å; I452-C491 WeakPolarHBondContact O-CA 3.17Å; P488-C491 HydrophobicContact CG-CB 4.22Å
492K97.4Very high96.4Very high126 Ų12654.1 Ų54.155%0.54831%0.311SS..EExtended strand (participates in β ladder)trans-139.5155.5-180-68.1-68.5-176.11780112.9I452 C454 F490I452-K492 PolarHBondContact O-N 2.81Å; C454-K492 PolarHBondContact N-O 2.71Å; F490-K492 HydrophobicContact CD1-CB 4.49Å; F490-K492 HydrophobicContact CD1-CG 4.47Å; F490-K492 HydrophobicContact CD2-CG 4.34Å; F490-K492 HydrophobicContact CE1-CB 3.6Å; F490-K492 HydrophobicContact CE1-CG 3.8Å; F490-K492 HydrophobicContact CE2-CB 4.31Å; F490-K492 HydrophobicContact CE2-CG 3.62Å; F490-K492 HydrophobicContact CZ-CB 3.5Å; F490-K492 VanDerWaalsContact CZ-CB 3.5Å; F490-K492 HydrophobicContact CZ-CG 3.33Å
493Y97.5Very high96.4Very high57 Ų5755.5 Ų55.522%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-84.7147.8169.2-64.6-86.7000111.1C454 Q458 C461 R462 E463 L466C454-Y493 HydrophobicContact CB-CD1 3.74Å; C454-Y493 HydrophobicContact CB-CE1 3.96Å; C454-Y493 HydrophobicContact CB-CG 4.42Å; C454-Y493 CarbonylContact O-C 3.58Å; C454-Y493 VanDerWaalsContact O-CA 3.24Å; C454-Y493 WeakPolarHBondContact O-CA 3.05Å; Q458-Y493 HydrophobicContact CB-CD1 4.19Å; Q458-Y493 HydrophobicContact CB-CE1 3.96Å; Q458-Y493 HydrophobicContact CB-CE2 4.43Å; Q458-Y493 HydrophobicContact CG-CD2 4.47Å; Q458-Y493 HydrophobicContact CG-CE1 4.14Å; Q458-Y493 HydrophobicContact CG-CE2 3.93Å; C461-Y493 WeakPolarHBondContact O-CE1 3.22Å; C461-Y493 VanDerWaalsContact O-CZ 3.31Å; C461-Y493 PolarHBondContact O-OH 3.36Å; R462-Y493 VanDerWaalsContact C-OH 3.23Å; E463-Y493 HydrophobicContact CG-CE2 3.98Å; E463-Y493 PolarHBondContact N-OH 2.82Å; L466-Y493 HydrophobicContact CD1-CE1 4.3Å; L466-Y493 HydrophobicContact CD1-CE2 4.42Å; L466-Y493 WeakPolarHBondContact CD1-OH 3.49Å
494A96.3Very high96.4Very high14 Ų1453.3 Ų53.312%0.11630%0.303CS..  trans-146.3165171.700000110.7C454 F455 M503C454-A494 PolarHBondContact O-N 2.88Å; F455-A494 WeakPolarHBondContact CA-O 3.23Å; F455-A494 HydrophobicContact CD1-CB 3.95Å; F455-A494 HydrophobicContact CE1-CB 3.61Å; F455-A494 HydrophobicContact CE2-CB 4.47Å; F455-A494 HydrophobicContact CZ-CB 3.88Å; A494-M503 HydrophobicContact CB-CE 3.59Å
495Q92.5Very high96.4Very high150 Ų15058 Ų5870%0.70132%0.32SS*.  trans-135.7151176.4-62.2-170.511.600110.7S499Q495-S499 WeakPolarHBondContact O-CB 3.44Å; Q495-S499 PolarHBondContact O-OG 2.86Å
496G91.3Very high96.6Very high43 Ų4358.1 Ų58.144%0.44332%0.321SS..THydrogen-bonded Turntrans73.6164178.500000114.2F455F455-G496 WeakPolarHBondContact CE1-O 3.49Å
497A93.8Very high96.8Very high24 Ų2456 Ų5620%0.19830%0.299CS..THydrogen-bonded Turntrans-73.1-31.6176.600000111.6S499 V500 V527 E530A497-S499 PolarHBondContact O-N 2.91Å; A497-V500 VanDerWaalsContact O-CB 3.3Å; A497-V500 WeakPolarHBondContact O-CB 3.19Å; A497-V500 VanDerWaalsContact O-CG2 3.24Å; A497-V500 WeakPolarHBondContact O-CG2 3.18Å; A497-V500 PolarHBondContact O-N 3.22Å; A497-V527 HydrophobicContact CB-CG2 4.47Å; A497-E530 HydrophobicContact CB-CB 4.07Å; A497-E530 HydrophobicContact CB-CG 4.24Å
498D94.4Very high96.9Very high115 Ų11555.1 Ų55.162%0.61529%0.294SS*.THydrogen-bonded Turntrans-65.8-24.6-175.2-55.1-49.8000113.4V500 P502D498-V500 VanDerWaalsContact C-N 3.27Å; D498-V500 PolarHBondContact O-N 3.32Å; D498-P502 WeakPolarHBondContact O-CD 3.27Å
499S96.6Very high96.9Very high48 Ų4860.4 Ų60.434%0.33632%0.321SS..THydrogen-bonded Turntrans-73.5-14.9176-58.90000113.9Q495 A497 M503Q495-S499 WeakPolarHBondContact O-CB 3.44Å; Q495-S499 PolarHBondContact O-OG 2.86Å; A497-S499 PolarHBondContact O-N 2.91Å; S499-M503 VanDerWaalsContact O-CB 3.23Å; S499-M503 WeakPolarHBondContact O-CB 3.24Å; S499-M503 PolarHBondContact O-N 3.47Å
500V97.8Very high96.9Very high0 Ų061.8 Ų61.80%033%0.328CS..Hα-helixtrans-67.3-52.5-173.9175.30000111.4F455 A497 D498 M503 F504 V527 E530 V531 V534F455-V500 HydrophobicContact CE1-CG2 3.77Å; F455-V500 HydrophobicContact CE2-CG2 4.41Å; F455-V500 HydrophobicContact CZ-CB 4.4Å; F455-V500 HydrophobicContact CZ-CG2 3.56Å; A497-V500 VanDerWaalsContact O-CB 3.3Å; A497-V500 WeakPolarHBondContact O-CB 3.19Å; A497-V500 VanDerWaalsContact O-CG2 3.24Å; A497-V500 WeakPolarHBondContact O-CG2 3.18Å; A497-V500 PolarHBondContact O-N 3.22Å; D498-V500 VanDerWaalsContact C-N 3.27Å; D498-V500 PolarHBondContact O-N 3.32Å; V500-M503 PolarHBondContact O-N 2.77Å; V500-F504 HydrophobicContact CG1-CD1 4.45Å; V500-F504 HydrophobicContact CG1-CD2 4.44Å; V500-F504 HydrophobicContact CG1-CE1 4.35Å; V500-F504 HydrophobicContact CG1-CE2 4.31Å; V500-F504 HydrophobicContact CG1-CZ 4.28Å; V500-F504 WeakPolarHBondContact O-CB 3.46Å; V500-F504 WeakPolarHBondContact O-CD1 3.48Å; V500-F504 WeakPolarHBondContact O-CG 3.31Å; V500-F504 PolarHBondContact O-N 3.21Å; V500-V527 HydrophobicContact CG2-CG1 3.92Å; V500-E530 HydrophobicContact CB-CG 3.86Å; V500-E530 HydrophobicContact CG1-CG 4.16Å; V500-E530 HydrophobicContact CG2-CB 4.41Å; V500-E530 HydrophobicContact CG2-CG 4.11Å; V500-V531 HydrophobicContact CG1-CB 4.44Å; V500-V531 HydrophobicContact CG1-CG2 3.85Å; V500-V531 HydrophobicContact CG2-CG2 3.95Å; V500-V534 HydrophobicContact CG1-CB 4.12Å; V500-V534 HydrophobicContact CG1-CG1 4.48Å; V500-V534 HydrophobicContact CG1-CG2 4.03Å
501E97.9Very high96.9Very high41 Ų4163.4 Ų63.419%0.19233%0.334CS..Hα-helixtrans-65.1-49.1-174.8-177.5175.1156.800112.8M503 F504 R505 R533 V534 L538E501-M503 VanDerWaalsContact C-N 3.33Å; E501-M503 PolarHBondContact O-N 3.4Å; E501-F504 PolarHBondContact O-N 2.97Å; E501-R505 HydrophobicContact CG-CG 4.42Å; E501-R505 WeakPolarHBondContact O-CG 3.49Å; E501-R505 PolarHBondContact O-N 3.15Å; E501-R505 IonicContact OE1-CZ 3.85Å; E501-R505 VanDerWaalsContact OE1-CZ 3.3Å; E501-R505 IonicContact OE1-NE 3.47Å; E501-R505 PolarHBondContact OE1-NE 3.16Å; E501-R505 IonicContact OE1-NH2 3.56Å; E501-R505 PolarHBondContact OE1-NH2 2.93Å; E501-R533 IonicContact OE2-CZ 3.83Å; E501-R533 IonicContact OE2-NH2 3.78Å; E501-R533 PolarHBondContact OE2-NH2 3.24Å; E501-V534 HydrophobicContact CB-CG1 4.37Å; E501-V534 HydrophobicContact CB-CG2 3.82Å; E501-V534 HydrophobicContact CG-CG1 4.44Å; E501-V534 HydrophobicContact CG-CG2 4.33Å; E501-L538 VanDerWaalsContact CD-CD2 3.4Å; E501-L538 HydrophobicContact CG-CD2 3.91Å; E501-L538 WeakPolarHBondContact OE1-CD2 3.17Å
502P98.2Very high96.8Very high82 Ų8266.3 Ų66.353%0.53235%0.354SS..Hα-helixtrans-58.6-44.2176.9-24.134.9000112.3D498 F504 R505 H506D498-P502 WeakPolarHBondContact O-CD 3.27Å; P502-F504 PolarHBondContact O-N 2.86Å; P502-R505 PolarHBondContact O-N 2.95Å; P502-H506 WeakPolarHBondContact O-CB 3.31Å; P502-H506 PolarHBondContact O-N 3.33Å
503M98.3Very high96.8Very high28 Ų2862.9 Ų62.914%0.13836%0.355CS..Hα-helixtrans-62.6-44.6178.3-179.4178-72.100111.7A453 F490 A494 S499 V500 E501 H506 L507A453-M503 HydrophobicContact CB-SD 3.63Å; F490-M503 HydrophobicContact CE1-CE 4.34Å; F490-M503 HydrophobicContact CE1-CG 4.33Å; F490-M503 HydrophobicContact CE1-SD 4.04Å; F490-M503 HydrophobicContact CZ-CE 4.28Å; F490-M503 HydrophobicContact CZ-CG 4.36Å; F490-M503 HydrophobicContact CZ-SD 4.41Å; A494-M503 HydrophobicContact CB-CE 3.59Å; S499-M503 VanDerWaalsContact O-CB 3.23Å; S499-M503 WeakPolarHBondContact O-CB 3.24Å; S499-M503 PolarHBondContact O-N 3.47Å; V500-M503 PolarHBondContact O-N 2.77Å; E501-M503 VanDerWaalsContact C-N 3.33Å; E501-M503 PolarHBondContact O-N 3.4Å; M503-H506 PolarHBondContact O-N 3.44Å; M503-L507 HydrophobicContact CG-CD1 4.13Å; M503-L507 HydrophobicContact CG-CG 4.47Å; M503-L507 WeakPolarHBondContact O-CB 3.44Å; M503-L507 VanDerWaalsContact O-CG 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.4Å; M503-L507 PolarHBondContact O-N 3.46Å
504F98.5Very high96.8Very high0 Ų061.8 Ų61.80%035%0.353CS..Hα-helixtrans-70.6-35.8-178.4-78.723.9000112.1V500 E501 P502 L507 K508 I517 V519 V531 V534 L539 M541 T543V500-F504 HydrophobicContact CG1-CD1 4.45Å; V500-F504 HydrophobicContact CG1-CD2 4.44Å; V500-F504 HydrophobicContact CG1-CE1 4.35Å; V500-F504 HydrophobicContact CG1-CE2 4.31Å; V500-F504 HydrophobicContact CG1-CZ 4.28Å; V500-F504 WeakPolarHBondContact O-CB 3.46Å; V500-F504 WeakPolarHBondContact O-CD1 3.48Å; V500-F504 WeakPolarHBondContact O-CG 3.31Å; V500-F504 PolarHBondContact O-N 3.21Å; E501-F504 PolarHBondContact O-N 2.97Å; P502-F504 PolarHBondContact O-N 2.86Å; F504-L507 HydrophobicContact CD1-CD1 4.34Å; F504-L507 PolarHBondContact O-N 2.93Å; F504-K508 WeakPolarHBondContact O-CB 3.45Å; F504-K508 PolarHBondContact O-N 3.08Å; F504-I517 HydrophobicContact CD1-CD1 3.89Å; F504-I517 HydrophobicContact CD2-CD1 4.05Å; F504-I517 HydrophobicContact CE1-CD1 3.92Å; F504-I517 HydrophobicContact CE1-CG2 4.02Å; F504-I517 HydrophobicContact CE2-CD1 4.12Å; F504-I517 HydrophobicContact CG-CD1 3.96Å; F504-I517 HydrophobicContact CZ-CD1 4.03Å; F504-I517 HydrophobicContact CZ-CG2 4.17Å; F504-V519 HydrophobicContact CE1-CG2 4.48Å; F504-V519 HydrophobicContact CZ-CG2 3.97Å; F504-V531 HydrophobicContact CE2-CG1 4.26Å; F504-V531 HydrophobicContact CZ-CG1 4.07Å; F504-V531 HydrophobicContact CZ-CG2 4.37Å; F504-V534 HydrophobicContact CB-CG1 3.84Å; F504-V534 HydrophobicContact CD2-CB 4.3Å; F504-V534 HydrophobicContact CD2-CG1 3.67Å; F504-V534 HydrophobicContact CG-CG1 4.09Å; F504-L539 HydrophobicContact CB-CD1 3.59Å; F504-M541 HydrophobicContact CB-SD 4.25Å; F504-T543 HydrophobicContact CE2-CG2 3.53Å; F504-T543 HydrophobicContact CZ-CG2 3.93Å
505R98.4Very high96.9Very high108 Ų10863.9 Ų63.941%0.40836%0.361SS..Hα-helixtrans-61.8-45.7172.4-74.5-177.9-175.2-85.24.2111.2E501 P502 K508 N509 L539E501-R505 HydrophobicContact CG-CG 4.42Å; E501-R505 WeakPolarHBondContact O-CG 3.49Å; E501-R505 PolarHBondContact O-N 3.15Å; E501-R505 IonicContact OE1-CZ 3.85Å; E501-R505 VanDerWaalsContact OE1-CZ 3.3Å; E501-R505 IonicContact OE1-NE 3.47Å; E501-R505 PolarHBondContact OE1-NE 3.16Å; E501-R505 IonicContact OE1-NH2 3.56Å; E501-R505 PolarHBondContact OE1-NH2 2.93Å; P502-R505 PolarHBondContact O-N 2.95Å; R505-K508 PolarHBondContact O-N 2.83Å; R505-N509 WeakPolarHBondContact O-CB 3.11Å; R505-N509 VanDerWaalsContact O-CG 3.28Å; R505-N509 PolarHBondContact O-N 3.37Å; R505-N509 VanDerWaalsContact O-N 3.1Å; R505-N509 PolarHBondContact O-ND2 3.33Å; R505-L539 HydrophobicContact CG-CD1 3.9Å; R505-L539 HydrophobicContact CG-CD2 4Å
506H98.2Very high97.2Very high92 Ų9256.9 Ų56.943%0.42633%0.328SS..Hα-helixtrans-57.5-50.6173.717670.3000111P502 M503 K508 N509 T510P502-H506 WeakPolarHBondContact O-CB 3.31Å; P502-H506 PolarHBondContact O-N 3.33Å; M503-H506 PolarHBondContact O-N 3.44Å; H506-K508 VanDerWaalsContact C-N 3.34Å; H506-K508 PolarHBondContact O-N 2.99Å; H506-N509 PolarHBondContact O-N 3.1Å; H506-T510 PolarHBondContact CE1-OG1 3.42Å; H506-T510 PolarHBondContact ND1-OG1 3.49Å; H506-T510 VanDerWaalsContact O-CB 3.27Å; H506-T510 WeakPolarHBondContact O-CB 3.4Å; H506-T510 PolarHBondContact O-N 3.49Å; H506-T510 PolarHBondContact O-OG1 3.37Å; H506-T510 VanDerWaalsContact O-OG1 3.05Å
507L98.3Very high97.6Very high0 Ų054.9 Ų54.90%031%0.307CS..Hα-helixtrans-56.8-44.3178.7-74.7173.7000113A451 F490 M503 F504 N509 Y511 L514 I517 M541A451-L507 HydrophobicContact CB-CD1 4.3Å; A451-L507 HydrophobicContact CB-CD2 4Å; F490-L507 HydrophobicContact CB-CD2 3.67Å; F490-L507 HydrophobicContact CD1-CD1 4.5Å; F490-L507 HydrophobicContact CD1-CD2 3.68Å; F490-L507 HydrophobicContact CD2-CD2 3.97Å; F490-L507 HydrophobicContact CE1-CD2 4.21Å; F490-L507 HydrophobicContact CE2-CD2 4.48Å; F490-L507 HydrophobicContact CG-CD2 3.52Å; M503-L507 HydrophobicContact CG-CD1 4.13Å; M503-L507 HydrophobicContact CG-CG 4.47Å; M503-L507 WeakPolarHBondContact O-CB 3.44Å; M503-L507 VanDerWaalsContact O-CG 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.4Å; M503-L507 PolarHBondContact O-N 3.46Å; F504-L507 HydrophobicContact CD1-CD1 4.34Å; F504-L507 PolarHBondContact O-N 2.93Å; L507-N509 PolarHBondContact O-N 2.92Å; L507-Y511 HydrophobicContact CD2-CD2 3.78Å; L507-Y511 HydrophobicContact CD2-CE2 3.73Å; L507-Y511 PolarHBondContact O-N 3.29Å; L507-L514 HydrophobicContact CB-CD2 3.84Å; L507-I517 HydrophobicContact CD1-CD1 3.68Å; L507-I517 HydrophobicContact CD1-CG1 4.15Å; L507-I517 HydrophobicContact CD1-CG2 4.38Å; L507-M541 HydrophobicContact CB-CE 4.31Å
508K97.8Very high97.8Very high78 Ų7853.7 Ų53.734%0.33930%0.297SS..Hα-helixtrans-63.7-39.3179.3-170.3172179.6174.80112.5F504 R505 H506 L539 M541F504-K508 WeakPolarHBondContact O-CB 3.45Å; F504-K508 PolarHBondContact O-N 3.08Å; R505-K508 PolarHBondContact O-N 2.83Å; H506-K508 VanDerWaalsContact C-N 3.34Å; H506-K508 PolarHBondContact O-N 2.99Å; K508-L539 HydrophobicContact CD-CB 4.27Å; K508-L539 PolarHBondContact NZ-O 2.81Å; K508-M541 HydrophobicContact CB-CE 3.8Å; K508-M541 HydrophobicContact CB-SD 3.82Å; K508-M541 HydrophobicContact CD-CG 4.37Å; K508-M541 HydrophobicContact CD-SD 4.27Å; K508-M541 HydrophobicContact CG-CE 4.41Å; K508-M541 HydrophobicContact CG-SD 4.32Å
509N97.9Very high98Very high136 Ų13648.2 Ų48.273%0.72727%0.268SS*.Hα-helixtrans-83.9-30.9-175.3-66.3-11.1000112.8R505 H506 L507R505-N509 WeakPolarHBondContact O-CB 3.11Å; R505-N509 VanDerWaalsContact O-CG 3.28Å; R505-N509 PolarHBondContact O-N 3.37Å; R505-N509 VanDerWaalsContact O-N 3.1Å; R505-N509 PolarHBondContact O-ND2 3.33Å; H506-N509 PolarHBondContact O-N 3.1Å; L507-N509 PolarHBondContact O-N 2.92Å
510T98.3Very high98.1Very high75 Ų7546 Ų4646%0.4625%0.252SS..Hα-helixtrans-88-37.2-174.2-60.50000112.8H506H506-T510 PolarHBondContact CE1-OG1 3.42Å; H506-T510 PolarHBondContact ND1-OG1 3.49Å; H506-T510 VanDerWaalsContact O-CB 3.27Å; H506-T510 WeakPolarHBondContact O-CB 3.4Å; H506-T510 PolarHBondContact O-N 3.49Å; H506-T510 PolarHBondContact O-OG1 3.37Å; H506-T510 VanDerWaalsContact O-OG1 3.05Å
511Y97.8Very high98.1Very high60 Ų6046.3 Ų46.324%0.23525%0.254CS..SBendtrans-108.792.7-173.8-59.8-82.9000110.9C489 F490 L507 G513 L514C489-Y511 HydrophobicContact CB-CD1 3.68Å; C489-Y511 HydrophobicContact CB-CE1 3.75Å; C489-Y511 VanDerWaalsContact O-CE1 3.24Å; C489-Y511 WeakPolarHBondContact O-CE1 3.35Å; C489-Y511 PolarHBondContact O-OH 2.8Å; C489-Y511 VanDerWaalsContact O-OH 3.1Å; C489-Y511 WeakPolarHBondContact SG-CD1 3.04Å; F490-Y511 HydrophobicContact CB-CE2 3.92Å; F490-Y511 HydrophobicContact CD2-CE2 4.11Å; F490-Y511 HydrophobicContact CG-CE2 4.38Å; L507-Y511 HydrophobicContact CD2-CD2 3.78Å; L507-Y511 HydrophobicContact CD2-CE2 3.73Å; L507-Y511 PolarHBondContact O-N 3.29Å; Y511-G513 PolarHBondContact O-N 2.76Å; Y511-L514 WeakPolarHBondContact O-CB 3.42Å; Y511-L514 PolarHBondContact O-N 2.77Å
512S96.8Very high98Very high115 Ų11547 Ų4780%0.80426%0.262SS*.THydrogen-bonded Turntrans-58135.9174.8-173.30000111.1L514S512-L514 VanDerWaalsContact C-N 3.31Å; S512-L514 PolarHBondContact O-N 2.94Å
513G95.3Very high97.7Very high55 Ų5544.2 Ų44.257%0.56725%0.249SC*.THydrogen-bonded Turntrans72.914.9-178.700000115.2Y511 Q515Y511-G513 PolarHBondContact O-N 2.76Å; G513-Q515 WeakPolarHBondContact O-CG 3.4Å; G513-Q515 PolarHBondContact O-N 2.82Å; G513-Q515 VanDerWaalsContact O-N 3.16Å
514L98.3Very high97.2Very high34 Ų3451.3 Ų51.318%0.17828%0.279CS..  trans-55.7117.5176.7178.762.7000112V449 A451 L507 Y511 S512 I517 M541V449-L514 HydrophobicContact CG1-CB 4.29Å; V449-L514 HydrophobicContact CG1-CD1 4.16Å; A451-L514 HydrophobicContact CB-CD1 4.2Å; L507-L514 HydrophobicContact CB-CD2 3.84Å; Y511-L514 WeakPolarHBondContact O-CB 3.42Å; Y511-L514 PolarHBondContact O-N 2.77Å; S512-L514 VanDerWaalsContact C-N 3.31Å; S512-L514 PolarHBondContact O-N 2.94Å; L514-I517 HydrophobicContact CD2-CD1 4.43Å; L514-I517 HydrophobicContact CD2-CG1 4.19Å; L514-M541 HydrophobicContact CD2-CE 3.47Å; L514-M541 VanDerWaalsContact CD2-CE 3.47Å; L514-M541 HydrophobicContact CG-CE 4.43Å
515Q98.6Very high96.8Very high58 Ų5852.9 Ų52.927%0.27129%0.288SS..  trans-92.9-37.8-175.8-65.1169.5-83.400112.7E446 V449 G513 A542 L570E446-Q515 PolarHBondContact O-NE2 3.27Å; V449-Q515 WeakPolarHBondContact O-CB 3.45Å; V449-Q515 PolarHBondContact O-N 3.46Å; G513-Q515 WeakPolarHBondContact O-CG 3.4Å; G513-Q515 PolarHBondContact O-N 2.82Å; G513-Q515 VanDerWaalsContact O-N 3.16Å; Q515-A542 WeakPolarHBondContact O-CB 3.37Å; Q515-L570 HydrophobicContact CB-CD2 4.23Å; Q515-L570 WeakPolarHBondContact O-CD2 3.29Å
516L98.8Very high96.5Very high2 Ų252.5 Ų52.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-148.2140.2-169.3-178.370.2000112.8W450 A451 I518 A542 Q544 I566 L570W450-L516 CarbonylContact C-O 3.55Å; W450-L516 VanDerWaalsContact CA-O 3.3Å; W450-L516 WeakPolarHBondContact CA-O 3.26Å; W450-L516 HydrophobicContact CB-CB 4.24Å; A451-L516 PolarHBondContact N-O 3.15Å; L516-I518 HydrophobicContact CD2-CD1 4.23Å; L516-I518 HydrophobicContact CD2-CG1 3.8Å; L516-I518 HydrophobicContact CG-CG1 4.24Å; L516-A542 HydrophobicContact CD1-CB 4.38Å; L516-Q544 HydrophobicContact CD1-CB 4.08Å; L516-I566 HydrophobicContact CD2-CD1 4.2Å; L516-I566 HydrophobicContact CD2-CG1 4.24Å; L516-I566 HydrophobicContact CD2-CG2 3.72Å; L516-L570 HydrophobicContact CB-CD2 4.44Å
517I98.9Very high96.3Very high1 Ų148.4 Ų48.41%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-112.3117.1163.3-51.9172.9000109.5A453 F504 L507 L514 V519 M541 A542 T543 Q544A453-I517 HydrophobicContact CB-CG2 4.24Å; F504-I517 HydrophobicContact CD1-CD1 3.89Å; F504-I517 HydrophobicContact CD2-CD1 4.05Å; F504-I517 HydrophobicContact CE1-CD1 3.92Å; F504-I517 HydrophobicContact CE1-CG2 4.02Å; F504-I517 HydrophobicContact CE2-CD1 4.12Å; F504-I517 HydrophobicContact CG-CD1 3.96Å; F504-I517 HydrophobicContact CZ-CD1 4.03Å; F504-I517 HydrophobicContact CZ-CG2 4.17Å; L507-I517 HydrophobicContact CD1-CD1 3.68Å; L507-I517 HydrophobicContact CD1-CG1 4.15Å; L507-I517 HydrophobicContact CD1-CG2 4.38Å; L514-I517 HydrophobicContact CD2-CD1 4.43Å; L514-I517 HydrophobicContact CD2-CG1 4.19Å; I517-V519 HydrophobicContact CG2-CG2 3.86Å; I517-M541 HydrophobicContact CD1-CE 3.61Å; I517-M541 HydrophobicContact CD1-SD 4.24Å; I517-M541 HydrophobicContact CG1-CE 4.39Å; I517-A542 PolarHBondContact N-O 3.29Å; I517-T543 HydrophobicContact CB-CG2 4.42Å; I517-T543 WeakPolarHBondContact O-CA 3.37Å; I517-Q544 PolarHBondContact O-N 2.94Å
518I98.8Very high96.3Very high0 Ų051.5 Ų51.50%029%0.293CS..EExtended strand (participates in β ladder)trans-85.5123.5168-63.4-178.1000108.4W450 A451 I452 A453 F469 L473 L516 Q544 V546W450-I518 HydrophobicContact CE3-CD1 4.14Å; W450-I518 HydrophobicContact CZ3-CD1 3.99Å; A451-I518 PolarHBondContact O-N 2.8Å; I452-I518 WeakPolarHBondContact CA-O 3.31Å; I452-I518 HydrophobicContact CG1-CB 4.43Å; A453-I518 PolarHBondContact N-O 3.43Å; F469-I518 HydrophobicContact CE1-CG2 4.32Å; L473-I518 HydrophobicContact CD2-CD1 3.65Å; L516-I518 HydrophobicContact CD2-CD1 4.23Å; L516-I518 HydrophobicContact CD2-CG1 3.8Å; L516-I518 HydrophobicContact CG-CG1 4.24Å; I518-Q544 WeakPolarHBondContact CA-O 3.29Å; I518-V546 HydrophobicContact CG2-CG2 4.29Å
519V98.8Very high96.2Very high0 Ų048.3 Ų48.30%028%0.281CS..EExtended strand (participates in β ladder)trans-114.8120.1-176.1-172.30000110.5A453 F455 F504 I517 L521 V531 Q544 C545 V546A453-V519 CarbonylContact O-C 3.54Å; A453-V519 VanDerWaalsContact O-CA 3.32Å; A453-V519 WeakPolarHBondContact O-CA 3.41Å; F455-V519 HydrophobicContact CD2-CG1 3.66Å; F455-V519 HydrophobicContact CE2-CG1 3.9Å; F504-V519 HydrophobicContact CE1-CG2 4.48Å; F504-V519 HydrophobicContact CZ-CG2 3.97Å; I517-V519 HydrophobicContact CG2-CG2 3.86Å; V519-L521 HydrophobicContact CG1-CD2 3.87Å; V519-L521 HydrophobicContact CG1-CG 4.41Å; V519-V531 HydrophobicContact CG1-CG2 4.02Å; V519-V531 HydrophobicContact CG2-CG1 3.99Å; V519-Q544 PolarHBondContact N-O 3.05Å; V519-C545 CarbonylContact O-C 3.57Å; V519-C545 WeakPolarHBondContact O-CA 3.47Å; V519-V546 PolarHBondContact O-N 2.97Å
520I98.7Very high96.1Very high0 Ų042.5 Ų42.50%025%0.25CC..EExtended strand (participates in β ladder)trans-97.4127.1-178.7-58.8169.4000109.3I452 A453 C454 F455 A456 L466 V546 V548 V551I452-I520 HydrophobicContact CG2-CD1 3.97Å; A453-I520 PolarHBondContact O-N 2.82Å; C454-I520 HydrophobicContact CB-CB 4.42Å; F455-I520 WeakPolarHBondContact CA-O 3.18Å; F455-I520 WeakPolarHBondContact CB-O 3.33Å; F455-I520 PolarHBondContact N-O 2.91Å; A456-I520 HydrophobicContact CB-CG2 4.21Å; L466-I520 HydrophobicContact CD2-CD1 3.1Å; I520-V546 WeakPolarHBondContact CA-O 3.39Å; I520-V548 HydrophobicContact CG2-CB 4.24Å; I520-V551 HydrophobicContact CD1-CG1 4.09Å; I520-V551 HydrophobicContact CD1-CG2 4.11Å; I520-V551 HydrophobicContact CG1-CG2 4.04Å; I520-V551 HydrophobicContact CG2-CG2 3.93Å
521L97.9Very high96.1Very high8 Ų838.9 Ų38.94%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-119.5142.4-173.2-59.7178.5000112F455 V519 G523 T525 V527 Y528 C545 V546 V548F455-L521 HydrophobicContact CB-CD2 4.22Å; V519-L521 HydrophobicContact CG1-CD2 3.87Å; V519-L521 HydrophobicContact CG1-CG 4.41Å; L521-G523 PolarHBondContact O-N 2.91Å; L521-G523 VanDerWaalsContact O-N 3.1Å; L521-T525 HydrophobicContact CB-CG2 4.19Å; L521-T525 HydrophobicContact CD1-CG2 4.39Å; L521-T525 HydrophobicContact CD2-CG2 4.15Å; L521-T525 HydrophobicContact CG-CG2 4.49Å; L521-V527 HydrophobicContact CD2-CB 4.16Å; L521-V527 HydrophobicContact CD2-CG1 3.7Å; L521-Y528 HydrophobicContact CD1-CD2 3.87Å; L521-Y528 HydrophobicContact CD1-CG 4.41Å; L521-C545 HydrophobicContact CD1-CB 3.91Å; L521-C545 HydrophobicContact CG-CB 4.5Å; L521-V546 PolarHBondContact N-O 3.01Å; L521-V548 PolarHBondContact O-N 3.39Å
522P95Very high96.1Very high54 Ų5436.2 Ų36.235%0.35122%0.217SC..SBendtrans-74.22.8-178.330-35.3000114.4A456A456-P522 HydrophobicContact CB-CB 4.41Å
523G91.9Very high96.1Very high25 Ų2533.2 Ų33.226%0.25819%0.188SC..SBendtrans138.2-138.1-175.900000111.4L521 T525L521-G523 PolarHBondContact O-N 2.91Å; L521-G523 VanDerWaalsContact O-N 3.1Å; G523-T525 PolarHBondContact O-N 3.41Å
524K88.1Confident96.2Very high177 Ų17730.6 Ų30.677%0.7716%0.161SC*.SBendtrans-78.7116.8171.9-170.4177.2-172.9173.70108.5D357D357-K524 IonicContact OD1-NZ 3.57Å; D357-K524 IonicContact OD2-NZ 3.74Å; D357-K524 PolarHBondContact OD2-NZ 3.12Å
525T90.6Very high96.2Very high32 Ų3229 Ų2920%0.19615%0.153CC..  trans-149.4146.7-174.21720000110.1L521 G523 V527 Y528L521-T525 HydrophobicContact CB-CG2 4.19Å; L521-T525 HydrophobicContact CD1-CG2 4.39Å; L521-T525 HydrophobicContact CD2-CG2 4.15Å; L521-T525 HydrophobicContact CG-CG2 4.49Å; G523-T525 PolarHBondContact O-N 3.41Å; T525-V527 HydrophobicContact CG2-CB 3.92Å; T525-V527 HydrophobicContact CG2-CG2 4.47Å; T525-V527 PolarHBondContact O-N 2.61Å; T525-V527 WeakPolarHBondContact OG1-CG2 3.28Å; T525-V527 PolarHBondContact OG1-N 3.32Å; T525-Y528 PolarHBondContact O-N 2.77Å
526P90.9Very high96.1Very high100 Ų10026.4 Ų26.465%0.64914%0.141SC*.THydrogen-bonded Turntrans-58.9-24173.125.1-35.5000112.9Y528 A529 E530P526-Y528 PolarHBondContact O-N 2.75Å; P526-Y528 VanDerWaalsContact O-N 3.08Å; P526-A529 PolarHBondContact O-N 2.85Å; P526-E530 PolarHBondContact O-N 3.17Å
527V95.7Very high96Very high6 Ų627.6 Ų27.64%0.03615%0.148CC..Hα-helixtrans-53.5-33.2177.3178.70000112.1F455 A497 V500 L521 T525 A529 E530 V531F455-V527 HydrophobicContact CB-CG1 4.27Å; F455-V527 HydrophobicContact CD1-CG1 3.73Å; F455-V527 HydrophobicContact CD1-CG2 4.31Å; F455-V527 HydrophobicContact CD2-CG1 4.12Å; F455-V527 HydrophobicContact CE1-CG1 4.03Å; F455-V527 HydrophobicContact CE2-CG1 4.4Å; F455-V527 HydrophobicContact CG-CG1 3.78Å; F455-V527 HydrophobicContact CZ-CG1 4.36Å; A497-V527 HydrophobicContact CB-CG2 4.47Å; V500-V527 HydrophobicContact CG2-CG1 3.92Å; L521-V527 HydrophobicContact CD2-CB 4.16Å; L521-V527 HydrophobicContact CD2-CG1 3.7Å; T525-V527 HydrophobicContact CG2-CB 3.92Å; T525-V527 HydrophobicContact CG2-CG2 4.47Å; T525-V527 PolarHBondContact O-N 2.61Å; T525-V527 WeakPolarHBondContact OG1-CG2 3.28Å; T525-V527 PolarHBondContact OG1-N 3.32Å; V527-A529 PolarHBondContact O-N 2.87Å; V527-E530 PolarHBondContact O-N 2.97Å; V527-V531 HydrophobicContact CG1-CG2 3.95Å; V527-V531 WeakPolarHBondContact O-CB 3.35Å; V527-V531 WeakPolarHBondContact O-CG2 3.23Å; V527-V531 PolarHBondContact O-N 3.37Å
528Y96.8Very high95.9Very high65 Ų6530.1 Ų30.126%0.25516%0.162SC..Hα-helixtrans-60.3-45177.3178.3-93.2000112.3L521 T525 P526 K532 C545 Y814L521-Y528 HydrophobicContact CD1-CD2 3.87Å; L521-Y528 HydrophobicContact CD1-CG 4.41Å; T525-Y528 PolarHBondContact O-N 2.77Å; P526-Y528 PolarHBondContact O-N 2.75Å; P526-Y528 VanDerWaalsContact O-N 3.08Å; Y528-K532 HydrophobicContact CE1-CG 4.07Å; Y528-K532 HydrophobicContact CE2-CG 4.42Å; Y528-K532 WeakPolarHBondContact O-CG 3.33Å; Y528-K532 PolarHBondContact O-N 2.97Å; Y528-C545 HydrophobicContact CD2-CB 4.14Å; Y528-C545 HydrophobicContact CE2-CB 4.16Å; Y528-Y814 AromaticContact CD1-CD1 3.83Å; Y528-Y814 HydrophobicContact CD1-CD1 3.83Å; Y528-Y814 AromaticContact CD1-CE1 3.71Å; Y528-Y814 HydrophobicContact CD1-CE1 3.71Å; Y528-Y814 HydrophobicContact CD1-CE2 4.49Å; Y528-Y814 HydrophobicContact CD1-CG 4.27Å; Y528-Y814 AromaticContact CE1-CD1 3.99Å; Y528-Y814 HydrophobicContact CE1-CD1 3.99Å; Y528-Y814 AromaticContact CE1-CD2 3.92Å; Y528-Y814 HydrophobicContact CE1-CD2 3.92Å; Y528-Y814 AromaticContact CE1-CE1 3.92Å; Y528-Y814 HydrophobicContact CE1-CE1 3.92Å; Y528-Y814 AromaticContact CE1-CE2 3.85Å; Y528-Y814 HydrophobicContact CE1-CE2 3.85Å; Y528-Y814 AromaticContact CE1-CG 3.98Å; Y528-Y814 HydrophobicContact CE1-CG 3.98Å; Y528-Y814 AromaticContact CE1-CZ 3.84Å
529A95.7Very high95.8Very high11 Ų1130.7 Ų30.79%0.09116%0.164CC..Hα-helixtrans-64.7-44.7-179.600000110.3P526 V527 K532 R533 Y814 V817P526-A529 PolarHBondContact O-N 2.85Å; V527-A529 PolarHBondContact O-N 2.87Å; A529-K532 PolarHBondContact O-N 3.42Å; A529-K532 VanDerWaalsContact O-N 3.16Å; A529-R533 PolarHBondContact O-N 2.87Å; A529-Y814 HydrophobicContact CB-CD1 4.09Å; A529-V817 HydrophobicContact CB-CB 4.16Å; A529-V817 HydrophobicContact CB-CG1 4.39Å; A529-V817 HydrophobicContact CB-CG2 4.43Å
530E96.8Very high95.7Very high14 Ų1431.5 Ų31.57%0.06517%0.173CC..Hα-helixtrans-65.5-41.4179.7-173.765.5176.300112.4A497 V500 P526 V527 K532 R533 V534 K819A497-E530 HydrophobicContact CB-CB 4.07Å; A497-E530 HydrophobicContact CB-CG 4.24Å; V500-E530 HydrophobicContact CB-CG 3.86Å; V500-E530 HydrophobicContact CG1-CG 4.16Å; V500-E530 HydrophobicContact CG2-CB 4.41Å; V500-E530 HydrophobicContact CG2-CG 4.11Å; P526-E530 PolarHBondContact O-N 3.17Å; V527-E530 PolarHBondContact O-N 2.97Å; E530-K532 PolarHBondContact O-N 3.39Å; E530-R533 PolarHBondContact O-N 2.99Å; E530-R533 IonicContact OE1-CZ 3.9Å; E530-R533 IonicContact OE1-NE 3.74Å; E530-R533 IonicContact OE1-NH2 3.46Å; E530-R533 PolarHBondContact OE1-NH2 3.44Å; E530-R533 IonicContact OE2-CZ 3.5Å; E530-R533 IonicContact OE2-NE 3.4Å; E530-R533 PolarHBondContact OE2-NE 3Å; E530-R533 IonicContact OE2-NH2 2.93Å; E530-V534 HydrophobicContact CG-CG2 4.18Å; E530-V534 WeakPolarHBondContact O-CB 3.24Å; E530-V534 VanDerWaalsContact O-CG2 3.31Å; E530-V534 WeakPolarHBondContact O-CG2 3.42Å; E530-V534 PolarHBondContact O-N 3Å; E530-K819 WeakPolarHBondContact OE1-CE 3.26Å; E530-K819 IonicContact OE1-NZ 2.79Å; E530-K819 PolarHBondContact OE1-NZ 3.43Å; E530-K819 VanDerWaalsContact OE1-NZ 3.16Å
531V98.1Very high95.7Very high0 Ų032.4 Ų32.40%018%0.177CC..Hα-helixtrans-56.7-40.2173.2166.10000111.6V500 F504 V519 V527 G535 T543V500-V531 HydrophobicContact CG1-CB 4.44Å; V500-V531 HydrophobicContact CG1-CG2 3.85Å; V500-V531 HydrophobicContact CG2-CG2 3.95Å; F504-V531 HydrophobicContact CE2-CG1 4.26Å; F504-V531 HydrophobicContact CZ-CG1 4.07Å; F504-V531 HydrophobicContact CZ-CG2 4.37Å; V519-V531 HydrophobicContact CG1-CG2 4.02Å; V519-V531 HydrophobicContact CG2-CG1 3.99Å; V527-V531 HydrophobicContact CG1-CG2 3.95Å; V527-V531 WeakPolarHBondContact O-CB 3.35Å; V527-V531 WeakPolarHBondContact O-CG2 3.23Å; V527-V531 PolarHBondContact O-N 3.37Å; V531-G535 WeakPolarHBondContact O-CA 3.35Å; V531-G535 PolarHBondContact O-N 2.99Å; V531-T543 HydrophobicContact CG1-CG2 4.17Å
532K97.8Very high95.8Very high3 Ų333.4 Ų33.41%0.01319%0.187CC..Hα-helixtrans-76.3-36.2178.3-65.1-48-179.9-174.70113.1Y528 A529 E530 D536 T543 H815Y528-K532 HydrophobicContact CE1-CG 4.07Å; Y528-K532 HydrophobicContact CE2-CG 4.42Å; Y528-K532 WeakPolarHBondContact O-CG 3.33Å; Y528-K532 PolarHBondContact O-N 2.97Å; A529-K532 PolarHBondContact O-N 3.42Å; A529-K532 VanDerWaalsContact O-N 3.16Å; E530-K532 PolarHBondContact O-N 3.39Å; K532-D536 WeakPolarHBondContact O-CB 3.06Å; K532-D536 PolarHBondContact O-N 3.48Å; K532-T543 PolarHBondContact NZ-O 2.88Å; K532-T543 PolarHBondContact NZ-OG1 3.41Å; K532-H815 PolarHBondContact O-NE2 3.33Å
533R96.2Very high95.9Very high53 Ų5330.9 Ų30.920%0.217%0.171CC..Iπ-helixtrans-61.6-56.2172.4-169.6-166.269.479.1-0.6110E501 A529 E530 G535 T537 L538E501-R533 IonicContact OE2-CZ 3.83Å; E501-R533 IonicContact OE2-NH2 3.78Å; E501-R533 PolarHBondContact OE2-NH2 3.24Å; A529-R533 PolarHBondContact O-N 2.87Å; E530-R533 PolarHBondContact O-N 2.99Å; E530-R533 IonicContact OE1-CZ 3.9Å; E530-R533 IonicContact OE1-NE 3.74Å; E530-R533 IonicContact OE1-NH2 3.46Å; E530-R533 PolarHBondContact OE1-NH2 3.44Å; E530-R533 IonicContact OE2-CZ 3.5Å; E530-R533 IonicContact OE2-NE 3.4Å; E530-R533 PolarHBondContact OE2-NE 3Å; E530-R533 IonicContact OE2-NH2 2.93Å; R533-G535 PolarHBondContact O-N 2.99Å; R533-T537 WeakPolarHBondContact O-CB 3.19Å; R533-T537 PolarHBondContact O-N 3.44Å; R533-T537 PolarHBondContact O-OG1 3.29Å; R533-L538 PolarHBondContact O-N 2.87Å
534V97.5Very high96.3Very high0 Ų030.1 Ų30.10%016%0.16CC..Iπ-helixtrans-62.5-47.3-178.1176.70000111.1V500 E501 F504 E530 L538 L539V500-V534 HydrophobicContact CG1-CB 4.12Å; V500-V534 HydrophobicContact CG1-CG1 4.48Å; V500-V534 HydrophobicContact CG1-CG2 4.03Å; E501-V534 HydrophobicContact CB-CG1 4.37Å; E501-V534 HydrophobicContact CB-CG2 3.82Å; E501-V534 HydrophobicContact CG-CG1 4.44Å; E501-V534 HydrophobicContact CG-CG2 4.33Å; F504-V534 HydrophobicContact CB-CG1 3.84Å; F504-V534 HydrophobicContact CD2-CB 4.3Å; F504-V534 HydrophobicContact CD2-CG1 3.67Å; F504-V534 HydrophobicContact CG-CG1 4.09Å; E530-V534 HydrophobicContact CG-CG2 4.18Å; E530-V534 WeakPolarHBondContact O-CB 3.24Å; E530-V534 VanDerWaalsContact O-CG2 3.31Å; E530-V534 WeakPolarHBondContact O-CG2 3.42Å; E530-V534 PolarHBondContact O-N 3Å; V534-L538 HydrophobicContact CG1-CD2 4.5Å; V534-L538 WeakPolarHBondContact O-CB 3.44Å; V534-L538 PolarHBondContact O-N 3.27Å; V534-L539 HydrophobicContact CG1-CD1 3.62Å; V534-L539 HydrophobicContact CG1-CG 4.06Å; V534-L539 PolarHBondContact O-N 3.4Å
535G97.9Very high96.8Very high0 Ų022.6 Ų22.60%013%0.129CC..Iπ-helixtrans-66.4-53.5-179.600000113.3V531 R533 G540 M541V531-G535 WeakPolarHBondContact O-CA 3.35Å; V531-G535 PolarHBondContact O-N 2.99Å; R533-G535 PolarHBondContact O-N 2.99Å; G535-G540 CarbonylContact O-C 3.51Å; G535-G540 WeakPolarHBondContact O-CA 3.38Å; G535-G540 PolarHBondContact O-N 3.19Å; G535-M541 PolarHBondContact O-N 2.93Å
536D97.9Very high97.1Very high4 Ų421.6 Ų21.62%0.02112%0.124CC..Iπ-helixtrans-85.6-31.2-168.5-49.9-25.5000113K532 R811 H815 H848 T851 Y856K532-D536 WeakPolarHBondContact O-CB 3.06Å; K532-D536 PolarHBondContact O-N 3.48Å; D536-R811 IonicContact OD1-NH1 2.68Å; D536-R811 WeakPolarHBondContact OD2-CD 3.47Å; D536-R811 IonicContact OD2-CZ 2.58Å; D536-R811 IonicContact OD2-NE 3.3Å; D536-R811 IonicContact OD2-NH1 2.8Å; D536-R811 PolarHBondContact OD2-NH1 3.26Å; D536-H815 IonicContact OD2-CE1 3.95Å; D536-H815 IonicContact OD2-NE2 3.34Å; D536-H815 PolarHBondContact OD2-NE2 2.81Å; D536-H815 VanDerWaalsContact OD2-NE2 3.11Å; D536-H848 PolarHBondContact O-N 3.04Å; D536-T851 HydrophobicContact CB-CG2 4.39Å; D536-T851 PolarHBondContact O-OG1 3.41Å; D536-Y856 HydrophobicContact CB-CD2 3.89Å; D536-Y856 HydrophobicContact CB-CE2 4.35Å
537T95.7Very high97.4Very high26 Ų2620.5 Ų20.516%0.1611%0.11CC..Iπ-helixtrans-108.7-37.2-171.9730000113.6R533 H815 Q846R533-T537 WeakPolarHBondContact O-CB 3.19Å; R533-T537 PolarHBondContact O-N 3.44Å; R533-T537 PolarHBondContact O-OG1 3.29Å; T537-H815 HydrophobicContact CG2-CB 4.46Å; T537-Q846 WeakPolarHBondContact CB-O 3.27Å
538L96.3Very high97.5Very high55 Ų5520.5 Ų20.529%0.28811%0.11SC..Iπ-helixtrans-94.7-48.8-171.1-174.763.6000113.3E501 R533 V534 H848E501-L538 VanDerWaalsContact CD-CD2 3.4Å; E501-L538 HydrophobicContact CG-CD2 3.91Å; E501-L538 WeakPolarHBondContact OE1-CD2 3.17Å; R533-L538 PolarHBondContact O-N 2.87Å; V534-L538 HydrophobicContact CG1-CD2 4.5Å; V534-L538 WeakPolarHBondContact O-CB 3.44Å; V534-L538 PolarHBondContact O-N 3.27Å; L538-H848 PolarHBondContact O-CD2 3.45Å; L538-H848 VanDerWaalsContact O-CD2 3.24Å
539L97.6Very high97.5Very high11 Ų1123.5 Ų23.56%0.05812%0.124CC..Iπ-helixtrans-112.5-15.1-170.9-59.6-179000113.9F504 R505 K508 V534 M541F504-L539 HydrophobicContact CB-CD1 3.59Å; R505-L539 HydrophobicContact CG-CD1 3.9Å; R505-L539 HydrophobicContact CG-CD2 4Å; K508-L539 HydrophobicContact CD-CB 4.27Å; K508-L539 PolarHBondContact NZ-O 2.81Å; V534-L539 HydrophobicContact CG1-CD1 3.62Å; V534-L539 HydrophobicContact CG1-CG 4.06Å; V534-L539 PolarHBondContact O-N 3.4Å; L539-M541 HydrophobicContact CB-CG 3.91Å; L539-M541 HydrophobicContact CB-SD 3.9Å; L539-M541 HydrophobicContact CD1-SD 4.01Å
540G97.6Very high97.6Very high17 Ų1725.5 Ų25.518%0.17513%0.133CC..  trans65.544.817900000114.4G535 H848 T851G535-G540 CarbonylContact O-C 3.51Å; G535-G540 WeakPolarHBondContact O-CA 3.38Å; G535-G540 PolarHBondContact O-N 3.19Å; G540-H848 WeakPolarHBondContact CA-ND1 3.49Å; G540-T851 VanDerWaalsContact CA-OG1 3.27Å; G540-T851 WeakPolarHBondContact CA-OG1 3.18Å
541M98.3Very high97.6Very high19 Ų1924.8 Ų24.89%0.09413%0.13CC..  trans-113.2134.2-175.5-58.1175.981.200111.2F504 L507 K508 L514 I517 G535 L539 T543F504-M541 HydrophobicContact CB-SD 4.25Å; L507-M541 HydrophobicContact CB-CE 4.31Å; K508-M541 HydrophobicContact CB-CE 3.8Å; K508-M541 HydrophobicContact CB-SD 3.82Å; K508-M541 HydrophobicContact CD-CG 4.37Å; K508-M541 HydrophobicContact CD-SD 4.27Å; K508-M541 HydrophobicContact CG-CE 4.41Å; K508-M541 HydrophobicContact CG-SD 4.32Å; L514-M541 HydrophobicContact CD2-CE 3.47Å; L514-M541 VanDerWaalsContact CD2-CE 3.47Å; L514-M541 HydrophobicContact CG-CE 4.43Å; I517-M541 HydrophobicContact CD1-CE 3.61Å; I517-M541 HydrophobicContact CD1-SD 4.24Å; I517-M541 HydrophobicContact CG1-CE 4.39Å; G535-M541 PolarHBondContact O-N 2.93Å; L539-M541 HydrophobicContact CB-CG 3.91Å; L539-M541 HydrophobicContact CB-SD 3.9Å; L539-M541 HydrophobicContact CD1-SD 4.01Å; M541-T543 PolarHBondContact O-N 3.03Å
542A98.5Very high97.6Very high29 Ų2928.5 Ų28.524%0.2415%0.152CC..  trans-70.1125.517800000111.2Q515 L516 I517 L570Q515-A542 WeakPolarHBondContact O-CB 3.37Å; L516-A542 HydrophobicContact CD1-CB 4.38Å; I517-A542 PolarHBondContact N-O 3.29Å; A542-L570 HydrophobicContact CB-CD2 3.92Å
543T98.8Very high97.5Very high2 Ų236.7 Ų36.71%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-125.8135.8-178.156.70000112.5F504 I517 V531 K532 M541 K569F504-T543 HydrophobicContact CE2-CG2 3.53Å; F504-T543 HydrophobicContact CZ-CG2 3.93Å; I517-T543 HydrophobicContact CB-CG2 4.42Å; I517-T543 WeakPolarHBondContact O-CA 3.37Å; V531-T543 HydrophobicContact CG1-CG2 4.17Å; K532-T543 PolarHBondContact NZ-O 2.88Å; K532-T543 PolarHBondContact NZ-OG1 3.41Å; M541-T543 PolarHBondContact O-N 3.03Å; T543-K569 PolarHBondContact O-NZ 2.96Å
544Q98.7Very high97.5Very high9 Ų935.9 Ų35.94%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-124.4105.2174.8-178.152.656.800111.3L516 I517 I518 V519 L562 K565 I566L516-Q544 HydrophobicContact CD1-CB 4.08Å; I517-Q544 PolarHBondContact O-N 2.94Å; I518-Q544 WeakPolarHBondContact CA-O 3.29Å; V519-Q544 PolarHBondContact N-O 3.05Å; Q544-L562 HydrophobicContact CG-CD1 3.5Å; Q544-L562 VanDerWaalsContact CG-CD1 3.5Å; Q544-L562 HydrophobicContact CG-CG 4.26Å; Q544-K565 VanDerWaalsContact OE1-CE 3.3Å; Q544-I566 HydrophobicContact CB-CG1 4.19Å; Q544-I566 HydrophobicContact CG-CD1 4.24Å; Q544-I566 HydrophobicContact CG-CG1 3.85Å
545C98.6Very high97.4Very high18 Ų1838 Ų3812%0.12220%0.204CC..EExtended strand (participates in β ladder)trans-82.3141.7178.2-49.80000111.7V519 L521 Y528V519-C545 CarbonylContact O-C 3.57Å; V519-C545 WeakPolarHBondContact O-CA 3.47Å; L521-C545 HydrophobicContact CD1-CB 3.91Å; L521-C545 HydrophobicContact CG-CB 4.5Å; Y528-C545 HydrophobicContact CD2-CB 4.14Å; Y528-C545 HydrophobicContact CE2-CB 4.16Å
546V98.4Very high97.4Very high12 Ų1242.3 Ų42.37%0.07323%0.232CC..EExtended strand (participates in β ladder)trans-133.8135.7176.3-171.90000108.8F469 I518 V519 I520 L521 N550 V551 L562F469-V546 HydrophobicContact CZ-CG2 4.38Å; I518-V546 HydrophobicContact CG2-CG2 4.29Å; V519-V546 PolarHBondContact O-N 2.97Å; I520-V546 WeakPolarHBondContact CA-O 3.39Å; L521-V546 PolarHBondContact N-O 3.01Å; V546-N550 HydrophobicContact CG1-CB 4.06Å; V546-V551 HydrophobicContact CB-CG2 4.21Å; V546-V551 HydrophobicContact CG1-CG2 3.71Å; V546-L562 HydrophobicContact CG2-CD1 3.95Å; V546-L562 HydrophobicContact CG2-CD2 3.75Å
547Q97.3Very high97.2Very high77 Ų7747.2 Ų47.236%0.3626%0.255SS..EExtended strand (participates in β ladder)trans-72.7139.3173.7-70.2-171-21.600110.2K549 N550 V551Q547-K549 HydrophobicContact CB-CG 4.17Å; Q547-K549 PolarHBondContact O-N 2.8Å; Q547-K549 VanDerWaalsContact O-N 3.1Å; Q547-N550 WeakPolarHBondContact O-CB 3.25Å; Q547-N550 PolarHBondContact O-N 3.38Å; Q547-V551 PolarHBondContact O-N 3.35Å
548V97.6Very high97.2Very high6 Ų648.5 Ų48.54%0.03626%0.262CS..Hα-helixtrans-51.6-37.7-179.565.40000112.9A456 Q460 C461 I520 L521 N550 V551 V552A456-V548 HydrophobicContact CB-CB 3.93Å; A456-V548 HydrophobicContact CB-CG2 3.78Å; Q460-V548 HydrophobicContact CG-CG2 4.17Å; C461-V548 HydrophobicContact CB-CG2 3.7Å; I520-V548 HydrophobicContact CG2-CB 4.24Å; L521-V548 PolarHBondContact O-N 3.39Å; V548-N550 PolarHBondContact O-N 3.46Å; V548-V551 WeakPolarHBondContact O-CA 3.48Å; V548-V551 WeakPolarHBondContact O-CB 3.37Å; V548-V551 PolarHBondContact O-N 3.09Å; V548-V552 HydrophobicContact CG2-CG2 4.03Å; V548-V552 WeakPolarHBondContact O-CG2 3.45Å; V548-V552 PolarHBondContact O-N 2.94Å
549K96.4Very high97.3Very high128 Ų12846.1 Ų46.156%0.55725%0.25SC*.Hα-helixtrans-58.5-32.2177.375.6-172.4-168.2-167.40113.7Q547 K553Q547-K549 HydrophobicContact CB-CG 4.17Å; Q547-K549 PolarHBondContact O-N 2.8Å; Q547-K549 VanDerWaalsContact O-N 3.1Å; K549-K553 PolarHBondContact O-N 3.12Å
550N97.1Very high97.3Very high52 Ų5246.7 Ų46.728%0.27826%0.255SS..Hα-helixtrans-86.4-11.5178.8-62.7-14.4000112.5V546 Q547 V548 T558V546-N550 HydrophobicContact CG1-CB 4.06Å; Q547-N550 WeakPolarHBondContact O-CB 3.25Å; Q547-N550 PolarHBondContact O-N 3.38Å; V548-N550 PolarHBondContact O-N 3.46Å; N550-T558 HydrophobicContact CB-CG2 4.34Å
551V97.8Very high97.3Very high0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-87.9-46171.9-1780000109.2V465 L466 F469 I520 V546 Q547 V548 T554V465-V551 HydrophobicContact CG1-CG1 4.13Å; L466-V551 HydrophobicContact CD2-CG1 4.24Å; F469-V551 HydrophobicContact CB-CG1 3.63Å; F469-V551 HydrophobicContact CD1-CG1 4.19Å; F469-V551 HydrophobicContact CD2-CB 4.29Å; F469-V551 HydrophobicContact CD2-CG1 4.07Å; F469-V551 HydrophobicContact CD2-CG2 4.26Å; F469-V551 HydrophobicContact CE2-CG2 4.33Å; F469-V551 HydrophobicContact CG-CB 4.4Å; F469-V551 HydrophobicContact CG-CG1 3.69Å; I520-V551 HydrophobicContact CD1-CG1 4.09Å; I520-V551 HydrophobicContact CD1-CG2 4.11Å; I520-V551 HydrophobicContact CG1-CG2 4.04Å; I520-V551 HydrophobicContact CG2-CG2 3.93Å; V546-V551 HydrophobicContact CB-CG2 4.21Å; V546-V551 HydrophobicContact CG1-CG2 3.71Å; Q547-V551 PolarHBondContact O-N 3.35Å; V548-V551 WeakPolarHBondContact O-CA 3.48Å; V548-V551 WeakPolarHBondContact O-CB 3.37Å; V548-V551 PolarHBondContact O-N 3.09Å; V551-T554 WeakPolarHBondContact O-CG2 3.5Å
552V96.9Very high97.3Very high78 Ų7848.2 Ų48.247%0.47326%0.259SS..Hα-helixtrans-61.3-47.4175.2173.80000110.9V465 V548V465-V552 HydrophobicContact CG1-CB 4.42Å; V465-V552 HydrophobicContact CG1-CG2 4.07Å; V548-V552 HydrophobicContact CG2-CG2 4.03Å; V548-V552 WeakPolarHBondContact O-CG2 3.45Å; V548-V552 PolarHBondContact O-N 2.94Å
553K96.2Very high97.3Very high174 Ų17446.9 Ų46.976%0.75725%0.248SC*.SBendtrans-11892.9177.3-167.4172.8-175172.90109.9K549K549-K553 PolarHBondContact O-N 3.12Å
554T95.7Very high97.3Very high37 Ų3746.9 Ų46.923%0.22725%0.248CC..  trans-77.2150.4176.558.80000111.2F469 V551 L559F469-T554 HydrophobicContact CB-CG2 4.34Å; F469-T554 HydrophobicContact CD2-CG2 3.77Å; V551-T554 WeakPolarHBondContact O-CG2 3.5Å; T554-L559 HydrophobicContact CG2-CD1 4.46Å; T554-L559 HydrophobicContact CG2-CD2 4.4Å
555S96.9Very high97.2Very high44 Ų4447.9 Ų47.931%0.30825%0.252SS..  trans-137.7143.8165.873.40000109.9Q557 T558 L559S555-Q557 PolarHBondContact O-N 2.88Å; S555-T558 PolarHBondContact O-N 2.94Å; S555-T558 WeakPolarHBondContact OG-CB 3.46Å; S555-T558 PolarHBondContact OG-N 3.4Å; S555-T558 PolarHBondContact OG-OG1 3.08Å; S555-L559 WeakPolarHBondContact O-CG 3.19Å; S555-L559 PolarHBondContact O-N 3.14Å
556P96.5Very high97.3Very high90 Ų9047 Ų4758%0.58425%0.246SC*.Hα-helixtrans-53.9-40-179.2-28.835.7000113I476 T558 L559 S560I476-P556 HydrophobicContact CD1-CB 4.13Å; P556-T558 PolarHBondContact O-N 2.88Å; P556-L559 PolarHBondContact O-N 3.33Å; P556-S560 VanDerWaalsContact O-CB 3.23Å; P556-S560 WeakPolarHBondContact O-CB 3.48Å; P556-S560 PolarHBondContact O-N 2.94Å
557Q94.1Very high97.3Very high108 Ų10846.5 Ų46.551%0.50524%0.243SC..Hα-helixtrans-62.7-41.7176.7-177.360.86000112.8S555 N561S555-Q557 PolarHBondContact O-N 2.88Å; Q557-N561 PolarHBondContact NE2-ND2 3Å; Q557-N561 PolarHBondContact NE2-OD1 3Å; Q557-N561 WeakPolarHBondContact O-CB 3.45Å; Q557-N561 PolarHBondContact O-N 3.31Å; Q557-N561 PolarHBondContact O-ND2 2.66Å
558T95.6Very high97.3Very high53 Ų5343 Ų4333%0.32523%0.227SC..Hα-helixtrans-68.8-42.9179.1-58.10000110.9N550 S555 P556 N561 L562N550-T558 HydrophobicContact CB-CG2 4.34Å; S555-T558 PolarHBondContact O-N 2.94Å; S555-T558 WeakPolarHBondContact OG-CB 3.46Å; S555-T558 PolarHBondContact OG-N 3.4Å; S555-T558 PolarHBondContact OG-OG1 3.08Å; P556-T558 PolarHBondContact O-N 2.88Å; T558-N561 PolarHBondContact O-N 3.03Å; T558-L562 WeakPolarHBondContact O-CB 3.42Å; T558-L562 PolarHBondContact O-N 3.12Å
559L98.1Very high97.4Very high4 Ų443.4 Ų43.42%0.02123%0.228CC..Hα-helixtrans-67.4-40.8178-62.5177.9000111.6F469 Q472 L473 I476 T554 S555 P556 N561 L562 C563F469-L559 HydrophobicContact CD2-CD2 4.09Å; F469-L559 HydrophobicContact CE2-CD2 3.66Å; Q472-L559 HydrophobicContact CB-CD1 3.65Å; L473-L559 HydrophobicContact CB-CD2 4.45Å; L473-L559 HydrophobicContact CD1-CB 4.45Å; L473-L559 HydrophobicContact CD1-CD2 4.26Å; I476-L559 HydrophobicContact CB-CB 4.3Å; I476-L559 HydrophobicContact CG1-CB 4.2Å; I476-L559 HydrophobicContact CG1-CD1 4.24Å; I476-L559 HydrophobicContact CG2-CB 4.17Å; T554-L559 HydrophobicContact CG2-CD1 4.46Å; T554-L559 HydrophobicContact CG2-CD2 4.4Å; S555-L559 WeakPolarHBondContact O-CG 3.19Å; S555-L559 PolarHBondContact O-N 3.14Å; P556-L559 PolarHBondContact O-N 3.33Å; L559-N561 PolarHBondContact O-N 3.35Å; L559-L562 WeakPolarHBondContact O-CA 3.34Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.32Å; L559-L562 PolarHBondContact O-N 2.59Å; L559-C563 PolarHBondContact O-N 3.25Å; L559-C563 PolarHBondContact O-SG 3.38Å; L559-C563 VanDerWaalsContact O-SG 3.35Å
560S97.8Very high97.4Very high23 Ų2339 Ų3916%0.16121%0.211CC..Hα-helixtrans-59.7-47.9174.2177.60000111.2P556 L562 C563 L564P556-S560 VanDerWaalsContact O-CB 3.23Å; P556-S560 WeakPolarHBondContact O-CB 3.48Å; P556-S560 PolarHBondContact O-N 2.94Å; S560-L562 PolarHBondContact O-N 3.48Å; S560-C563 WeakPolarHBondContact O-CB 3.4Å; S560-C563 PolarHBondContact O-N 3.46Å; S560-C563 VanDerWaalsContact O-N 3.12Å; S560-L564 WeakPolarHBondContact O-CG 3.38Å; S560-L564 PolarHBondContact O-N 3.07Å
561N97.2Very high97.4Very high51 Ų5137 Ų3727%0.27320%0.203SC..Hα-helixtrans-62.6-27.9173.9-74.6-18.7000113.2Q557 T558 L559 L564Q557-N561 PolarHBondContact NE2-ND2 3Å; Q557-N561 PolarHBondContact NE2-OD1 3Å; Q557-N561 WeakPolarHBondContact O-CB 3.45Å; Q557-N561 PolarHBondContact O-N 3.31Å; Q557-N561 PolarHBondContact O-ND2 2.66Å; T558-N561 PolarHBondContact O-N 3.03Å; L559-N561 PolarHBondContact O-N 3.35Å; N561-L564 WeakPolarHBondContact O-CB 3.47Å
562L98.3Very high97.4Very high18 Ų1837.1 Ų37.19%0.09420%0.204CC..Hα-helixtrans-70.1-45.3173.1-169.964.7000110.8F469 L473 Q544 V546 T558 L559 S560 L564 K565 I566F469-L562 HydrophobicContact CE2-CD2 4.44Å; F469-L562 HydrophobicContact CZ-CD2 4.09Å; L473-L562 HydrophobicContact CD1-CD2 4.14Å; L473-L562 HydrophobicContact CD2-CD2 4.4Å; Q544-L562 HydrophobicContact CG-CD1 3.5Å; Q544-L562 VanDerWaalsContact CG-CD1 3.5Å; Q544-L562 HydrophobicContact CG-CG 4.26Å; V546-L562 HydrophobicContact CG2-CD1 3.95Å; V546-L562 HydrophobicContact CG2-CD2 3.75Å; T558-L562 WeakPolarHBondContact O-CB 3.42Å; T558-L562 PolarHBondContact O-N 3.12Å; L559-L562 WeakPolarHBondContact O-CA 3.34Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.32Å; L559-L562 PolarHBondContact O-N 2.59Å; S560-L562 PolarHBondContact O-N 3.48Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 3.48Å; L562-K565 PolarHBondContact O-N 3.02Å; L562-K565 VanDerWaalsContact O-N 3.1Å; L562-I566 HydrophobicContact CD2-CD1 4.47Å; L562-I566 HydrophobicContact CG-CD1 3.99Å; L562-I566 WeakPolarHBondContact O-CG1 3.29Å; L562-I566 PolarHBondContact O-N 3.39Å
563C98.7Very high97.5Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-58.6-39.4175.1-66.40000112.1F441 M482 L559 S560 K565 I566 N567F441-C563 HydrophobicContact CE2-CB 4.36Å; F441-C563 HydrophobicContact CZ-CB 4.24Å; M482-C563 HydrophobicContact CE-CB 3.88Å; L559-C563 PolarHBondContact O-N 3.25Å; L559-C563 PolarHBondContact O-SG 3.38Å; L559-C563 VanDerWaalsContact O-SG 3.35Å; S560-C563 WeakPolarHBondContact O-CB 3.4Å; S560-C563 PolarHBondContact O-N 3.46Å; S560-C563 VanDerWaalsContact O-N 3.12Å; C563-K565 PolarHBondContact O-N 3.41Å; C563-I566 PolarHBondContact O-N 3.15Å; C563-N567 WeakPolarHBondContact O-CB 3.43Å; C563-N567 PolarHBondContact O-N 3.4Å
564L98.6Very high97.6Very high2 Ų226 Ų261%0.0115%0.15CC..Hα-helixtrans-51.1-43.2174.2-64.4-175000112.2M436 F441 S560 N561 L562 V568 N574 V790M436-L564 HydrophobicContact SD-CD2 3.35Å; M436-L564 WeakPolarHBondContact SD-CD2 3.33Å; F441-L564 HydrophobicContact CE1-CD2 3.53Å; F441-L564 HydrophobicContact CZ-CD2 3.95Å; S560-L564 WeakPolarHBondContact O-CG 3.38Å; S560-L564 PolarHBondContact O-N 3.07Å; N561-L564 WeakPolarHBondContact O-CB 3.47Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 3.48Å; L564-V568 WeakPolarHBondContact O-CG2 3.45Å; L564-N574 PolarHBondContact O-ND2 3.13Å; L564-V790 WeakPolarHBondContact CB-O 3.45Å
565K98.6Very high97.7Very high31 Ų3125 Ų2514%0.13514%0.142CC..Hα-helixtrans-77.7-38.9-178.1-65165.655.970.80111.8Q544 L562 C563 K569 R791 A858Q544-K565 VanDerWaalsContact OE1-CE 3.3Å; L562-K565 PolarHBondContact O-N 3.02Å; L562-K565 VanDerWaalsContact O-N 3.1Å; C563-K565 PolarHBondContact O-N 3.41Å; K565-K569 VanDerWaalsContact O-CG 3.32Å; K565-K569 WeakPolarHBondContact O-CG 3.44Å; K565-K569 PolarHBondContact O-N 2.87Å; K565-K569 VanDerWaalsContact O-N 3.12Å; K565-R791 HydrophobicContact CG-CG 4.32Å; K565-A858 PolarHBondContact NZ-O 3.35Å; K565-A858 PolarHBondContact NZ-OXT 3.2Å
566I98.8Very high97.8Very high0 Ų023.1 Ų23.10%013%0.129CC..Hα-helixtrans-63.8-51179.9-67.8169.8000109.7I447 M482 L516 Q544 L562 C563 V568 K569 L570I447-I566 HydrophobicContact CD1-CG2 3.57Å; M482-I566 HydrophobicContact CE-CB 4.07Å; M482-I566 HydrophobicContact CE-CG2 3.88Å; M482-I566 HydrophobicContact SD-CB 4.01Å; M482-I566 HydrophobicContact SD-CG2 3.7Å; L516-I566 HydrophobicContact CD2-CD1 4.2Å; L516-I566 HydrophobicContact CD2-CG1 4.24Å; L516-I566 HydrophobicContact CD2-CG2 3.72Å; Q544-I566 HydrophobicContact CB-CG1 4.19Å; Q544-I566 HydrophobicContact CG-CD1 4.24Å; Q544-I566 HydrophobicContact CG-CG1 3.85Å; L562-I566 HydrophobicContact CD2-CD1 4.47Å; L562-I566 HydrophobicContact CG-CD1 3.99Å; L562-I566 WeakPolarHBondContact O-CG1 3.29Å; L562-I566 PolarHBondContact O-N 3.39Å; C563-I566 PolarHBondContact O-N 3.15Å; I566-V568 VanDerWaalsContact C-N 3.28Å; I566-V568 PolarHBondContact O-N 2.88Å; I566-K569 PolarHBondContact O-N 3.38Å; I566-K569 VanDerWaalsContact O-N 3.13Å; I566-L570 HydrophobicContact CG2-CD1 3.95Å; I566-L570 HydrophobicContact CG2-CG 4.46Å; I566-L570 WeakPolarHBondContact O-CG 3.28Å; I566-L570 PolarHBondContact O-N 3.26Å; I566-L570 VanDerWaalsContact O-N 3.13Å
567N98.8Very high97.9Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-53.4-48.6-177.8-170.149.1000111.4F441 N443 G444 I445 M482 C563 L570 G571 G572 N574F441-N567 HydrophobicContact CD2-CB 4.02Å; F441-N567 HydrophobicContact CE2-CB 3.77Å; F441-N567 HydrophobicContact CZ-CB 4.16Å; N443-N567 PolarHBondContact O-ND2 3.45Å; N443-N567 VanDerWaalsContact O-ND2 3.13Å; G444-N567 WeakPolarHBondContact CA-OD1 3.42Å; I445-N567 PolarHBondContact N-OD1 3.03Å; M482-N567 HydrophobicContact CG-CB 4.38Å; M482-N567 VanDerWaalsContact SD-CA 3.56Å; M482-N567 HydrophobicContact SD-CB 3.61Å; M482-N567 PolarHBondContact SD-N 3.18Å; M482-N567 VanDerWaalsContact SD-N 3.41Å; C563-N567 WeakPolarHBondContact O-CB 3.43Å; C563-N567 PolarHBondContact O-N 3.4Å; N567-L570 CarbonylContact O-C 3.59Å; N567-L570 PolarHBondContact O-N 2.82Å; N567-G571 PolarHBondContact O-N 2.82Å; N567-G572 WeakPolarHBondContact O-CA 3.42Å; N567-G572 PolarHBondContact O-N 3.17Å; N567-N574 WeakPolarHBondContact CB-OD1 3.22Å; N567-N574 PolarHBondContact ND2-OD1 2.97Å
568V98.3Very high98Very high4 Ų414.2 Ų14.22%0.0248%0.08CC..Hα-helixtrans-66.4-39-179.3169.20000113.3L564 I566 L570 G571 V790 M855 A858L564-V568 WeakPolarHBondContact O-CG2 3.45Å; I566-V568 VanDerWaalsContact C-N 3.28Å; I566-V568 PolarHBondContact O-N 2.88Å; V568-L570 PolarHBondContact O-N 3.35Å; V568-G571 PolarHBondContact O-N 3.16Å; V568-V790 HydrophobicContact CB-CG2 4.39Å; V568-V790 HydrophobicContact CG1-CG2 4.05Å; V568-V790 HydrophobicContact CG2-CB 3.78Å; V568-V790 HydrophobicContact CG2-CG1 3.95Å; V568-V790 HydrophobicContact CG2-CG2 3.94Å; V568-M855 HydrophobicContact CG1-CB 3.55Å; V568-M855 HydrophobicContact CG1-CE 3.98Å; V568-M855 HydrophobicContact CG1-CG 4.08Å; V568-M855 HydrophobicContact CG1-SD 3.5Å; V568-M855 WeakPolarHBondContact CG1-SD 3.38Å; V568-A858 HydrophobicContact CG1-CB 4.09Å
569K98.5Very high97.8Very high15 Ų1514.7 Ų14.77%0.0658%0.084CC..Hα-helixtrans-63.1-30.5175.9-79.1174.8177175.60112.6T543 K565 I566 G571 A858T543-K569 PolarHBondContact O-NZ 2.96Å; K565-K569 VanDerWaalsContact O-CG 3.32Å; K565-K569 WeakPolarHBondContact O-CG 3.44Å; K565-K569 PolarHBondContact O-N 2.87Å; K565-K569 VanDerWaalsContact O-N 3.12Å; I566-K569 PolarHBondContact O-N 3.38Å; I566-K569 VanDerWaalsContact O-N 3.13Å; K569-G571 VanDerWaalsContact C-N 3.29Å; K569-A858 WeakPolarHBondContact CE-O 3.46Å; K569-A858 HydrophobicContact CG-CB 4.47Å; K569-A858 PolarHBondContact NZ-O 3.22Å
570L98.2Very high97.4Very high36 Ų3622 Ų2219%0.18812%0.118CC..THydrogen-bonded Turntrans-89.55.9176.9-57-178.6000112.9I445 I447 Q515 L516 A542 I566 N567 V568I445-L570 HydrophobicContact CB-CB 4.21Å; I445-L570 HydrophobicContact CG1-CB 4.04Å; I445-L570 HydrophobicContact CG2-CB 3.95Å; I445-L570 HydrophobicContact CG2-CD1 4.25Å; I447-L570 HydrophobicContact CD1-CD1 3.55Å; I447-L570 HydrophobicContact CG1-CD1 3.6Å; Q515-L570 HydrophobicContact CB-CD2 4.23Å; Q515-L570 WeakPolarHBondContact O-CD2 3.29Å; L516-L570 HydrophobicContact CB-CD2 4.44Å; A542-L570 HydrophobicContact CB-CD2 3.92Å; I566-L570 HydrophobicContact CG2-CD1 3.95Å; I566-L570 HydrophobicContact CG2-CG 4.46Å; I566-L570 WeakPolarHBondContact O-CG 3.28Å; I566-L570 PolarHBondContact O-N 3.26Å; I566-L570 VanDerWaalsContact O-N 3.13Å; N567-L570 CarbonylContact O-C 3.59Å; N567-L570 PolarHBondContact O-N 2.82Å; V568-L570 PolarHBondContact O-N 3.35Å
571G96.7Very high97Very high10 Ų1024.8 Ų24.810%0.10313%0.128CC..THydrogen-bonded Turntrans92.27174.800000115.6N567 V568 K569 R623N567-G571 PolarHBondContact O-N 2.82Å; V568-G571 PolarHBondContact O-N 3.16Å; K569-G571 VanDerWaalsContact C-N 3.29Å; G571-R623 PolarHBondContact O-NH1 3.32Å
572G98Very high96.7Very high2 Ų225.2 Ų25.22%0.02113%0.126CC..  trans-70.4167.9173.900000113.5N443 N567N443-G572 CarbonylContact O-C 3.56Å; N443-G572 VanDerWaalsContact O-CA 3.26Å; N443-G572 WeakPolarHBondContact O-CA 3.5Å; N567-G572 WeakPolarHBondContact O-CA 3.42Å; N567-G572 PolarHBondContact O-N 3.17Å
573I98.6Very high96.1Very high18 Ų1825.1 Ų25.19%0.09213%0.127CC..BIsolated β-bridgetrans-118.7119.8175.5-60.8176.8000107.4Y442 N443 I576 R623Y442-I573 HydrophobicContact CD1-CB 4.13Å; Y442-I573 HydrophobicContact CD1-CD1 4.4Å; Y442-I573 HydrophobicContact CD1-CG2 3.84Å; Y442-I573 HydrophobicContact CG-CG2 4.23Å; Y442-I573 PolarHBondContact N-O 3.31Å; Y442-I573 VanDerWaalsContact N-O 3.15Å; N443-I573 HydrophobicContact CB-CB 3.91Å; N443-I573 HydrophobicContact CB-CG1 4.26Å; N443-I573 PolarHBondContact N-O 3.22Å; N443-I573 PolarHBondContact O-N 3.44Å; I573-I576 HydrophobicContact CG2-CG2 3.66Å; I573-R623 HydrophobicContact CG1-CG 4.25Å
574N98.4Very high95.7Very high1 Ų127.7 Ų27.71%0.00515%0.148CC..  trans-72.8-50.5-175.8-69.8-6.9000111.8Y419 F441 Y442 L564 N567 V790Y419-N574 WeakPolarHBondContact CD1-O 3.45Å; F441-N574 WeakPolarHBondContact CA-O 3.39Å; F441-N574 VanDerWaalsContact CD1-CA 3.48Å; F441-N574 HydrophobicContact CD1-CB 3.74Å; F441-N574 HydrophobicContact CE1-CB 3.89Å; F441-N574 WeakPolarHBondContact CE1-OD1 3.43Å; Y442-N574 PolarHBondContact N-O 3.07Å; L564-N574 PolarHBondContact O-ND2 3.13Å; N567-N574 WeakPolarHBondContact CB-OD1 3.22Å; N567-N574 PolarHBondContact ND2-OD1 2.97Å; N574-V790 PolarHBondContact ND2-O 2.84Å; N574-V790 VanDerWaalsContact ND2-O 3.13Å
575N98.1Very high95.5Very high14 Ų1427.8 Ų27.88%0.07515%0.149CC..  trans-159167.9176.953.967000108.5Q418 Y419Q418-N575 WeakPolarHBondContact O-CA 3.44Å; Q418-N575 WeakPolarHBondContact O-CB 3.29Å; Y419-N575 HydrophobicContact CD1-CB 4.06Å; Y419-N575 HydrophobicContact CD2-CB 4.23Å; Y419-N575 HydrophobicContact CE1-CB 3.87Å; Y419-N575 HydrophobicContact CE2-CB 4.03Å; Y419-N575 HydrophobicContact CG-CB 4.26Å; Y419-N575 PolarHBondContact OH-ND2 3.27Å
576I98.4Very high95.3Very high6 Ų627.4 Ų27.43%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-129.8160.5175.467.5170.7000110.1L417 Q418 Y442 I573 P579 H620L417-I576 CarbonylContact C-O 3.59Å; L417-I576 WeakPolarHBondContact CA-O 3.42Å; Q418-I576 HydrophobicContact CB-CD1 4.43Å; Q418-I576 HydrophobicContact CB-CG1 3.76Å; Q418-I576 HydrophobicContact CG-CG1 4.29Å; Q418-I576 PolarHBondContact N-O 2.91Å; Q418-I576 PolarHBondContact O-N 3.41Å; Y442-I576 HydrophobicContact CD1-CG2 4.04Å; Y442-I576 HydrophobicContact CD2-CD1 4.03Å; Y442-I576 HydrophobicContact CD2-CG1 3.96Å; Y442-I576 HydrophobicContact CD2-CG2 4.33Å; Y442-I576 HydrophobicContact CE1-CD1 4.42Å; Y442-I576 HydrophobicContact CE1-CG2 4.3Å; Y442-I576 HydrophobicContact CE2-CD1 3.47Å; Y442-I576 VanDerWaalsContact CE2-CD1 3.47Å; Y442-I576 HydrophobicContact CE2-CG1 3.93Å; Y442-I576 HydrophobicContact CG-CG2 4.05Å; I573-I576 HydrophobicContact CG2-CG2 3.66Å; I576-P579 HydrophobicContact CD1-CG 4.24Å; I576-H620 HydrophobicContact CB-CB 4.13Å; I576-H620 WeakPolarHBondContact CD1-ND1 3.35Å; I576-H620 HydrophobicContact CG2-CB 3.77Å
577L97.4Very high95.1Very high3 Ų335.2 Ų35.22%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-65.6140.1165.4-61.4169.7000108.9P415 L417 P579 R582 Q784 T788P415-L577 HydrophobicContact CB-CD2 3.77Å; P415-L577 HydrophobicContact CG-CD2 3.77Å; L417-L577 HydrophobicContact CD2-CD2 4.04Å; L577-P579 VanDerWaalsContact O-CD 3.31Å; L577-P579 WeakPolarHBondContact O-CD 3.3Å; L577-P579 VanDerWaalsContact O-N 3.16Å; L577-R582 HydrophobicContact CB-CG 4.13Å; L577-Q784 HydrophobicContact CD1-CB 3.92Å; L577-Q784 HydrophobicContact CD2-CB 4.23Å; L577-T788 HydrophobicContact CD1-CG2 3.81Å; L577-T788 HydrophobicContact CD2-CG2 4.04Å; L577-T788 HydrophobicContact CG-CG2 3.74Å
578V96.6Very high95Very high8 Ų839.6 Ų39.65%0.04820%0.204CC..  trans-57.8119.2175.2167.80000109.8I416 Q418 H580 Q581I416-V578 HydrophobicContact CB-CB 4.38Å; I416-V578 HydrophobicContact CB-CG2 3.75Å; I416-V578 HydrophobicContact CG2-CG2 3.67Å; I416-V578 WeakPolarHBondContact O-CG2 3.22Å; I416-V578 PolarHBondContact O-N 3.45Å; Q418-V578 HydrophobicContact CB-CG2 4.14Å; V578-H580 VanDerWaalsContact C-N 3.33Å; V578-H580 WeakPolarHBondContact CG1-CE1 3.49Å; V578-H580 WeakPolarHBondContact CG1-NE2 3.23Å; V578-H580 PolarHBondContact O-N 2.86Å; V578-H580 VanDerWaalsContact O-N 3.16Å; V578-Q581 HydrophobicContact CG1-CG 4.24Å; V578-Q581 PolarHBondContact O-N 3.44Å; V578-Q581 VanDerWaalsContact O-N 3.16Å
579P92.4Very high95Very high62 Ų6241.2 Ų41.240%0.40322%0.215SC..G310 helixtrans-59.2-35-164.1-31.637.1000116.5I576 L577 R582I576-P579 HydrophobicContact CD1-CG 4.24Å; L577-P579 VanDerWaalsContact O-CD 3.31Å; L577-P579 WeakPolarHBondContact O-CD 3.3Å; L577-P579 VanDerWaalsContact O-N 3.16Å; P579-R582 PolarHBondContact O-NE 3.14Å
580H89.4Confident95Very high157 Ų15741 Ų4173%0.72721%0.214SC*.G310 helixtrans-84.2-4.3-175.960.772.7000114.2V578V578-H580 VanDerWaalsContact C-N 3.33Å; V578-H580 WeakPolarHBondContact CG1-CE1 3.49Å; V578-H580 WeakPolarHBondContact CG1-NE2 3.23Å; V578-H580 PolarHBondContact O-N 2.86Å; V578-H580 VanDerWaalsContact O-N 3.16Å
581Q89.4Confident95Very high82 Ų8239.2 Ų39.238%0.38321%0.205SC..G310 helixtrans-1047.6175.7-65.8-173.9-23.200113V578 Q784V578-Q581 HydrophobicContact CG1-CG 4.24Å; V578-Q581 PolarHBondContact O-N 3.44Å; V578-Q581 VanDerWaalsContact O-N 3.16Å; Q581-Q784 PolarHBondContact O-NE2 3.25Å
582R90.4Very high95.2Very high61 Ų6138.8 Ų38.823%0.2320%0.201CC..SBendtrans-84.4158.3-178.6-60.4180-61.4166.62.4110.8L577 P579 F586 A619L577-R582 HydrophobicContact CB-CG 4.13Å; P579-R582 PolarHBondContact O-NE 3.14Å; R582-F586 HydrophobicContact CB-CB 4.43Å; R582-F586 HydrophobicContact CB-CD2 3.56Å; R582-F586 HydrophobicContact CB-CE2 3.96Å; R582-F586 HydrophobicContact CB-CG 4.1Å; R582-F586 HydrophobicContact CG-CD2 4.39Å; R582-F586 HydrophobicContact CG-CE2 4.47Å; R582-A619 PolarHBondContact NH1-O 3.42Å
583S86.1Confident95.2Very high16 Ų1638.7 Ų38.711%0.11220%0.2CC..  trans-58.6155.8174.6136.80000112V585 F586 E777S583-V585 PolarHBondContact O-N 2.84Å; S583-V585 VanDerWaalsContact O-N 3.13Å; S583-V585 WeakPolarHBondContact OG-CB 3.34Å; S583-V585 WeakPolarHBondContact OG-CG1 3.39Å; S583-V585 PolarHBondContact OG-N 2.89Å; S583-V585 VanDerWaalsContact OG-N 3.15Å; S583-F586 WeakPolarHBondContact O-CD2 3.45Å; S583-F586 PolarHBondContact O-N 3.23Å; S583-F586 VanDerWaalsContact O-N 3.17Å; S583-E777 WeakPolarHBondContact OG-CG 3.4Å; S583-E777 PolarHBondContact OG-OE1 2.82Å
584A90Very high95.2Very high53 Ų5337.9 Ų37.944%0.43820%0.195SC..G310 helixtrans-60.2-22.2178.600000112.6F586 Q587 E777A584-F586 PolarHBondContact O-N 3.44Å; A584-Q587 VanDerWaalsContact O-CB 3.29Å; A584-Q587 WeakPolarHBondContact O-CB 3.35Å; A584-Q587 WeakPolarHBondContact O-CG 3.44Å; A584-Q587 PolarHBondContact O-N 3.47Å; A584-E777 PolarHBondContact N-OE1 3.37Å
585V93.8Very high95.2Very high4 Ų437.8 Ų37.82%0.02420%0.195CC..G310 helixtrans-50.4-29.9173.679.50000113.3S583 Q587 V590 F592 I664 F773 E777 L781S583-V585 PolarHBondContact O-N 2.84Å; S583-V585 VanDerWaalsContact O-N 3.13Å; S583-V585 WeakPolarHBondContact OG-CB 3.34Å; S583-V585 WeakPolarHBondContact OG-CG1 3.39Å; S583-V585 PolarHBondContact OG-N 2.89Å; S583-V585 VanDerWaalsContact OG-N 3.15Å; V585-Q587 VanDerWaalsContact C-N 3.3Å; V585-Q587 PolarHBondContact O-N 2.81Å; V585-V590 HydrophobicContact CG2-CB 4.42Å; V585-V590 HydrophobicContact CG2-CG2 4.06Å; V585-F592 HydrophobicContact CG1-CZ 4.41Å; V585-I664 HydrophobicContact CG2-CD1 4.44Å; V585-F773 HydrophobicContact CB-CE1 4.17Å; V585-F773 HydrophobicContact CB-CZ 4.13Å; V585-F773 HydrophobicContact CG2-CE1 4.27Å; V585-F773 HydrophobicContact CG2-CZ 3.72Å; V585-E777 PolarHBondContact N-OE1 2.94Å; V585-L781 HydrophobicContact CG1-CD1 4.17Å; V585-L781 HydrophobicContact CG1-CD2 4.12Å
586F95.3Very high95.2Very high24 Ų2437.6 Ų37.611%0.10519%0.194CC..G310 helixtrans-79.2-6.5-179-70.9-86.3000114.3R582 S583 A584 Q588 V590 F592 P621 L781R582-F586 HydrophobicContact CB-CB 4.43Å; R582-F586 HydrophobicContact CB-CD2 3.56Å; R582-F586 HydrophobicContact CB-CE2 3.96Å; R582-F586 HydrophobicContact CB-CG 4.1Å; R582-F586 HydrophobicContact CG-CD2 4.39Å; R582-F586 HydrophobicContact CG-CE2 4.47Å; S583-F586 WeakPolarHBondContact O-CD2 3.45Å; S583-F586 PolarHBondContact O-N 3.23Å; S583-F586 VanDerWaalsContact O-N 3.17Å; A584-F586 PolarHBondContact O-N 3.44Å; F586-Q588 PolarHBondContact O-N 2.81Å; F586-V590 HydrophobicContact CD1-CG1 4.26Å; F586-F592 HydrophobicContact CD1-CE2 4.36Å; F586-F592 AromaticContact CE1-CE2 3.5Å; F586-F592 HydrophobicContact CE1-CE2 3.5Å; F586-F592 VanDerWaalsContact CE1-CE2 3.5Å; F586-F592 AromaticContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE2-CZ 4.16Å; F586-F592 AromaticContact CZ-CE2 3.73Å; F586-F592 HydrophobicContact CZ-CE2 3.73Å; F586-F592 AromaticContact CZ-CZ 3.51Å; F586-F592 HydrophobicContact CZ-CZ 3.51Å; F586-P621 HydrophobicContact CE1-CG 4.01Å; F586-P621 HydrophobicContact CZ-CG 4.26Å; F586-L781 HydrophobicContact CE2-CD1 3.55Å; F586-L781 HydrophobicContact CZ-CD1 3.96Å
587Q94.7Very high95.1Very high164 Ų16437.9 Ų37.977%0.76620%0.196SC*.G310 helixtrans-71.7-20.1178.4-66.7176.10.700112.7A584 V585A584-Q587 VanDerWaalsContact O-CB 3.29Å; A584-Q587 WeakPolarHBondContact O-CB 3.35Å; A584-Q587 WeakPolarHBondContact O-CG 3.44Å; A584-Q587 PolarHBondContact O-N 3.47Å; V585-Q587 VanDerWaalsContact C-N 3.3Å; V585-Q587 PolarHBondContact O-N 2.81Å
588Q96.4Very high94.8Very high92 Ų9238.8 Ų38.843%0.4320%0.201SC..SBendtrans-121.9161.3171.4-61175.6-19.300109.6F586 V590 T661 R662F586-Q588 PolarHBondContact O-N 2.81Å; Q588-V590 PolarHBondContact O-N 3.17Å; Q588-T661 HydrophobicContact CB-CG2 4.37Å; Q588-T661 WeakPolarHBondContact CB-OG1 3.15Å; Q588-T661 PolarHBondContact OE1-OG1 2.97Å; Q588-R662 VanDerWaalsContact OE1-CZ 3.27Å
589P98.3Very high94.5Very high38 Ų3841 Ų4125%0.24721%0.211CC..  trans-56.9124.1177.6-25.235000111.4F658 K659 P660 T661P589-F658 HydrophobicContact CB-CB 3.73Å; P589-F658 HydrophobicContact CB-CG 4.38Å; P589-F658 HydrophobicContact CG-CB 3.62Å; P589-F658 HydrophobicContact CG-CD1 3.74Å; P589-F658 HydrophobicContact CG-CG 3.79Å; P589-K659 WeakPolarHBondContact CB-O 3.5Å; P589-P660 CarbonylContact O-C 3.59Å; P589-T661 PolarHBondContact O-N 2.83Å; P589-T661 PolarHBondContact O-OG1 3.48Å
590V98.7Very high94.1Very high9 Ų938.4 Ų38.46%0.05519%0.194CC..EExtended strand (participates in β ladder)trans-134.2139.2-179.854.80000109.4V585 F586 Q588 F592 R662 I664V585-V590 HydrophobicContact CG2-CB 4.42Å; V585-V590 HydrophobicContact CG2-CG2 4.06Å; F586-V590 HydrophobicContact CD1-CG1 4.26Å; Q588-V590 PolarHBondContact O-N 3.17Å; V590-F592 HydrophobicContact CG1-CE2 3.79Å; V590-F592 HydrophobicContact CG1-CZ 4.05Å; V590-F592 HydrophobicContact CG2-CE1 4.45Å; V590-F592 HydrophobicContact CG2-CE2 4.14Å; V590-F592 HydrophobicContact CG2-CZ 4.04Å; V590-R662 WeakPolarHBondContact CA-O 3.46Å; V590-R662 HydrophobicContact CB-CB 4.26Å; V590-R662 HydrophobicContact CG2-CB 3.96Å; V590-I664 HydrophobicContact CG2-CD1 4.49Å; V590-I664 HydrophobicContact CG2-CG1 3.72Å
591I98.9Very high93.6Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-110.9130.4172.7-168.8174.2000110.2L593 L649 F652 P660 R662 I663 I664I591-L593 HydrophobicContact CD1-CD2 3.8Å; I591-L593 HydrophobicContact CG1-CD2 3.91Å; I591-L649 HydrophobicContact CD1-CD2 4.35Å; I591-L649 HydrophobicContact CG2-CD2 4.18Å; I591-F652 HydrophobicContact CB-CD2 4.09Å; I591-F652 HydrophobicContact CB-CE2 4.17Å; I591-F652 HydrophobicContact CD1-CB 3.89Å; I591-F652 HydrophobicContact CD1-CD2 3.95Å; I591-F652 HydrophobicContact CD1-CG 4.12Å; I591-F652 HydrophobicContact CG1-CD2 3.9Å; I591-F652 HydrophobicContact CG1-CE2 4.37Å; I591-F652 HydrophobicContact CG1-CG 4.49Å; I591-P660 HydrophobicContact CB-CB 4.19Å; I591-P660 HydrophobicContact CB-CG 3.93Å; I591-P660 HydrophobicContact CG2-CB 3.81Å; I591-P660 HydrophobicContact CG2-CG 3.83Å; I591-R662 PolarHBondContact N-O 3.22Å; I591-R662 VanDerWaalsContact N-O 3.08Å; I591-I663 HydrophobicContact CG2-CB 4.26Å; I591-I663 HydrophobicContact CG2-CG1 3.81Å; I591-I663 HydrophobicContact CG2-CG2 4.28Å; I591-I664 PolarHBondContact O-N 2.84Å
592F98.9Very high92.6Very high1 Ų132.7 Ų32.70%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-98.2118.4174.2-62.8-84.2000109.4V585 F586 V590 G615 S616 P621 Y624 I664 L781 L785V585-F592 HydrophobicContact CG1-CZ 4.41Å; F586-F592 HydrophobicContact CD1-CE2 4.36Å; F586-F592 AromaticContact CE1-CE2 3.5Å; F586-F592 HydrophobicContact CE1-CE2 3.5Å; F586-F592 VanDerWaalsContact CE1-CE2 3.5Å; F586-F592 AromaticContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE2-CZ 4.16Å; F586-F592 AromaticContact CZ-CE2 3.73Å; F586-F592 HydrophobicContact CZ-CE2 3.73Å; F586-F592 AromaticContact CZ-CZ 3.51Å; F586-F592 HydrophobicContact CZ-CZ 3.51Å; V590-F592 HydrophobicContact CG1-CE2 3.79Å; V590-F592 HydrophobicContact CG1-CZ 4.05Å; V590-F592 HydrophobicContact CG2-CE1 4.45Å; V590-F592 HydrophobicContact CG2-CE2 4.14Å; V590-F592 HydrophobicContact CG2-CZ 4.04Å; F592-G615 CarbonylContact O-C 3.54Å; F592-G615 WeakPolarHBondContact O-CA 3.42Å; F592-S616 PolarHBondContact N-OG 3.28Å; F592-S616 PolarHBondContact O-N 2.98Å; F592-P621 HydrophobicContact CD2-CB 3.72Å; F592-P621 HydrophobicContact CD2-CG 3.59Å; F592-P621 HydrophobicContact CE2-CB 4.09Å; F592-P621 HydrophobicContact CE2-CG 3.71Å; F592-P621 HydrophobicContact CG-CG 4.39Å; F592-Y624 HydrophobicContact CB-CE1 4.48Å; F592-I664 HydrophobicContact CD1-CB 3.8Å; F592-I664 HydrophobicContact CD1-CG1 4.14Å; F592-I664 HydrophobicContact CD1-CG2 4.17Å; F592-I664 HydrophobicContact CE1-CB 4.04Å; F592-I664 HydrophobicContact CE1-CG1 3.9Å; F592-I664 HydrophobicContact CE1-CG2 4.33Å; F592-L781 HydrophobicContact CE1-CD1 3.87Å; F592-L781 HydrophobicContact CE1-CD2 4.13Å; F592-L781 HydrophobicContact CE1-CG 4.33Å; F592-L781 HydrophobicContact CZ-CD1 4Å; F592-L785 HydrophobicContact CD1-CD1 3.69Å; F592-L785 HydrophobicContact CD1-CD2 4.3Å; F592-L785 HydrophobicContact CE1-CD1 3.93Å; F592-L785 HydrophobicContact CE1-CD2 4.47Å; F592-L785 HydrophobicContact CG-CD1 4.49Å; F592-L785 HydrophobicContact CG-CD2 4.44Å
593L98.9Very high91.4Very high0 Ų033.1 Ų33.10%021%0.206CC..EExtended strand (participates in β ladder)trans-106.4141.7178.5-60.5-174.5000110.4I591 V614 V645 L648 I663 I664 F665 Y666I591-L593 HydrophobicContact CD1-CD2 3.8Å; I591-L593 HydrophobicContact CG1-CD2 3.91Å; L593-V614 VanDerWaalsContact CA-O 3.23Å; L593-V614 WeakPolarHBondContact CA-O 3.45Å; L593-V614 WeakPolarHBondContact CD2-O 3.42Å; L593-V645 HydrophobicContact CD1-CG1 4.34Å; L593-V645 HydrophobicContact CD1-CG2 4.19Å; L593-L648 HydrophobicContact CD2-CB 4.48Å; L593-L648 HydrophobicContact CD2-CD1 3.94Å; L593-I663 HydrophobicContact CD1-CG2 3.62Å; L593-I663 HydrophobicContact CG-CG2 4.12Å; L593-I664 PolarHBondContact N-O 3.37Å; L593-F665 HydrophobicContact CB-CD2 3.55Å; L593-F665 HydrophobicContact CB-CE2 4.23Å; L593-F665 HydrophobicContact CB-CG 4.44Å; L593-F665 HydrophobicContact CD1-CD2 3.88Å; L593-F665 HydrophobicContact CD1-CE2 4.47Å; L593-F665 HydrophobicContact CG-CD2 4.36Å; L593-Y666 PolarHBondContact O-N 3.33Å
594G98.8Very high90.6Very high0 Ų034.1 Ų34.10%021%0.21CC..EExtended strand (participates in β ladder)trans-126.2135.117100000110V613 V614 Y666 A805G594-V613 CarbonylContact O-C 3.53Å; G594-V613 VanDerWaalsContact O-CA 3.25Å; G594-V613 WeakPolarHBondContact O-CA 3.3Å; G594-V614 PolarHBondContact N-O 3.14Å; G594-V614 PolarHBondContact O-N 3.2Å; G594-Y666 CarbonylContact C-O 3.44Å; G594-Y666 WeakPolarHBondContact CA-O 3.42Å; G594-A805 WeakPolarHBondContact O-CB 3.4Å
595A98.6Very high89.6Confident0 Ų034.4 Ų34.40%022%0.218CC..EExtended strand (participates in β ladder)trans-133.8136.6-177.500000112.3A612 V613 I638 F665 Y666 D668A595-A612 VanDerWaalsContact CA-O 3.29Å; A595-A612 WeakPolarHBondContact CA-O 3.3Å; A595-V613 HydrophobicContact CB-CG2 4.01Å; A595-I638 HydrophobicContact CB-CD1 3.83Å; A595-F665 HydrophobicContact CB-CE1 4.12Å; A595-F665 HydrophobicContact CB-CE2 3.76Å; A595-F665 HydrophobicContact CB-CZ 3.33Å; A595-Y666 PolarHBondContact N-O 3.16Å; A595-D668 PolarHBondContact O-N 3.19Å
596D97.4Very high89Confident10 Ų1042.6 Ų42.65%0.05325%0.254CS..EExtended strand (participates in β ladder)trans-140.2149.6177.7-179.652.3000111T598 T611 A612 D668 A805 R806D596-T598 PolarHBondContact OD2-OG1 3.37Å; D596-T598 VanDerWaalsContact OD2-OG1 3.05Å; D596-T611 WeakPolarHBondContact O-CA 3.4Å; D596-A612 PolarHBondContact N-O 2.89Å; D596-A612 PolarHBondContact O-N 2.87Å; D596-D668 HydrophobicContact CB-CB 4.49Å; D596-A805 HydrophobicContact CB-CB 3.89Å; D596-R806 HydrophobicContact CB-CB 4.39Å; D596-R806 WeakPolarHBondContact OD2-CA 3.14Å
597V96Very high88.5Confident12 Ų1246.6 Ų46.67%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-123.8119.7171.6179.80000109.1I610 T611 E636 I638 R667V597-I610 CarbonylContact C-O 3.52Å; V597-I610 WeakPolarHBondContact CA-O 3.21Å; V597-T611 HydrophobicContact CG1-CG2 4.43Å; V597-T611 HydrophobicContact CG2-CG2 3.86Å; V597-E636 WeakPolarHBondContact CB-OE2 3.12Å; V597-I638 HydrophobicContact CG2-CD1 4.27Å; V597-I638 HydrophobicContact CG2-CG1 3.67Å; V597-R667 VanDerWaalsContact CG2-NH2 3.29Å
598T92.3Very high88.3Confident21 Ų2139.5 Ų39.513%0.12924%0.239CC..EExtended strand (participates in β ladder)trans-108108.8178.8-71.80000110.7D596 I610 F810 R813D596-T598 PolarHBondContact OD2-OG1 3.37Å; D596-T598 VanDerWaalsContact OD2-OG1 3.05Å; T598-I610 PolarHBondContact N-O 2.74Å; T598-I610 PolarHBondContact O-N 2.81Å; T598-F810 HydrophobicContact CG2-CD1 4.23Å; T598-F810 HydrophobicContact CG2-CE1 4Å; T598-R813 PolarHBondContact O-NH2 2.85Å
599H90.2Very high88.2Confident56 Ų5635.1 Ų35.126%0.25922%0.218SC..PPolyproline II helixtrans-73.2156.9174.6-62.7-35.6000113.8S609 Q635 E636H599-S609 PolarHBondContact ND1-OG 3.45Å; H599-Q635 PolarHBondContact CE1-O 2.77Å; H599-E636 IonicContact CD2-OE1 3.11Å; H599-E636 VanDerWaalsContact CE1-CD 3.44Å; H599-E636 IonicContact CE1-OE1 2.96Å; H599-E636 IonicContact CE1-OE2 3.94Å; H599-E636 IonicContact NE2-OE1 3.46Å; H599-E636 PolarHBondContact NE2-OE1 3.31Å; H599-E636 IonicContact NE2-OE2 3.15Å; H599-E636 PolarHBondContact NE2-OE2 2.8Å
600P84.3Confident88.1Confident6 Ų633.3 Ų33.34%0.03921%0.207CC..PPolyproline II helixtrans-64.6159.4169.332.5-40.2000111.7D604 K607P600-D604 HydrophobicContact CB-CB 4.21Å; P600-K607 HydrophobicContact CB-CB 3.71Å; P600-K607 WeakPolarHBondContact CG-O 3.48Å
601P77.4Confident88Confident67 Ų6732.9 Ų32.944%0.43520%0.204SC..PPolyproline II helixtrans-50.9151.9175.3-26.135.1000112.9G603 D604 R634P601-G603 PolarHBondContact O-N 2.99Å; P601-D604 WeakPolarHBondContact O-CB 3.42Å; P601-D604 PolarHBondContact O-N 3.23Å; P601-D604 VanDerWaalsContact O-N 3.14Å; P601-R634 PolarHBondContact O-NH2 2.92Å
602A68.6Low88Confident53 Ų5332.9 Ų32.944%0.43820%0.204SC..THydrogen-bonded Turntrans-60.1135.8177.100000110.9I352 D604I352-A602 HydrophobicContact CB-CB 4.29Å; I352-A602 WeakPolarHBondContact O-CB 3.23Å; A602-D604 VanDerWaalsContact C-N 3.34Å
603G65.6Low88Confident70 Ų7032.8 Ų32.872%0.72220%0.204SC*.THydrogen-bonded Turntrans90-13.5-17500000115P601P601-G603 PolarHBondContact O-N 2.99Å
604D68.7Low88Confident36 Ų3632.8 Ų32.819%0.19320%0.204CC..  trans-88.7119.1170-164.5-30.6000109.4P600 P601 A602 K606 K607 R634P600-D604 HydrophobicContact CB-CB 4.21Å; P601-D604 WeakPolarHBondContact O-CB 3.42Å; P601-D604 PolarHBondContact O-N 3.23Å; P601-D604 VanDerWaalsContact O-N 3.14Å; A602-D604 VanDerWaalsContact C-N 3.34Å; D604-K606 PolarHBondContact OD1-N 3.42Å; D604-K607 PolarHBondContact OD1-N 2.81Å; D604-K607 WeakPolarHBondContact OD2-CD 3.37Å; D604-K607 WeakPolarHBondContact OD2-CE 3.47Å; D604-K607 VanDerWaalsContact OD2-CG 3.23Å; D604-K607 WeakPolarHBondContact OD2-CG 3.21Å; D604-K607 IonicContact OD2-NZ 2.99Å; D604-R634 PolarHBondContact O-NH2 3.05Å
605G70.8Confident88Confident59 Ų5932.8 Ų32.861%0.60820%0.204SC*.  trans-108.4-2.7176.100000113.7
606K80.1Confident88Confident177 Ų17732.8 Ų32.877%0.7720%0.204SC*.SBendtrans-100.3-36.8-175.8-66.6-171.3176.9-169.30112.2D604D604-K606 PolarHBondContact OD1-N 3.42Å
607K85.5Confident88.1Confident108 Ų10832.9 Ų32.947%0.4720%0.204SC..SBendtrans-70.9141.2-177.5-73-176.3-165.2173.30111.8P600 D604 P633P600-K607 HydrophobicContact CB-CB 3.71Å; P600-K607 WeakPolarHBondContact CG-O 3.48Å; D604-K607 PolarHBondContact OD1-N 2.81Å; D604-K607 WeakPolarHBondContact OD2-CD 3.37Å; D604-K607 WeakPolarHBondContact OD2-CE 3.47Å; D604-K607 VanDerWaalsContact OD2-CG 3.23Å; D604-K607 WeakPolarHBondContact OD2-CG 3.21Å; D604-K607 IonicContact OD2-NZ 2.99Å; K607-P633 WeakPolarHBondContact O-CB 3.31Å; K607-P633 WeakPolarHBondContact O-CG 3.31Å
608P90.9Very high88.1Confident14 Ų1433.4 Ų33.49%0.09121%0.206CC..PPolyproline II helixtrans-71157.318031.4-37.5000111.7V630 Q631 R813 L816 L841P608-V630 HydrophobicContact CB-CB 4.06Å; P608-V630 HydrophobicContact CB-CG1 4.49Å; P608-V630 HydrophobicContact CG-CB 4.22Å; P608-V630 HydrophobicContact CG-CG1 4.15Å; P608-Q631 VanDerWaalsContact CB-O 3.32Å; P608-Q631 WeakPolarHBondContact CB-O 3.24Å; P608-R813 PolarHBondContact O-NH1 3.09Å; P608-R813 PolarHBondContact O-NH2 2.96Å; P608-L816 HydrophobicContact CG-CD1 4.13Å; P608-L841 HydrophobicContact CG-CD1 4.17Å
609S93Very high88.4Confident0 Ų035.8 Ų35.80%023%0.228CC..EExtended strand (participates in β ladder)trans-73.2150.6158.2-61.90000109H599 V630 Q631 R632 R634H599-S609 PolarHBondContact ND1-OG 3.45Å; S609-V630 WeakPolarHBondContact O-CA 3.29Å; S609-Q631 PolarHBondContact N-O 3.34Å; S609-Q631 VanDerWaalsContact N-O 3.11Å; S609-Q631 PolarHBondContact O-N 3.49Å; S609-R632 WeakPolarHBondContact CB-O 3.38Å; S609-R632 PolarHBondContact OG-O 2.95Å; S609-R632 VanDerWaalsContact OG-O 3.13Å; S609-R634 WeakPolarHBondContact OG-CA 3.45Å; S609-R634 PolarHBondContact OG-N 2.89Å
610I96.1Very high88.6Confident0 Ų035.2 Ų35.20%023%0.226CC..EExtended strand (participates in β ladder)trans-116.9128.4177.3-61.6173.1000107.4V597 T598 V628 R629 A809 A812 R813 L816V597-I610 CarbonylContact C-O 3.52Å; V597-I610 WeakPolarHBondContact CA-O 3.21Å; T598-I610 PolarHBondContact N-O 2.74Å; T598-I610 PolarHBondContact O-N 2.81Å; I610-V628 HydrophobicContact CG2-CG2 3.71Å; I610-R629 WeakPolarHBondContact CA-O 3.42Å; I610-A809 HydrophobicContact CG2-CB 4.02Å; I610-A812 HydrophobicContact CD1-CB 4.24Å; I610-A812 HydrophobicContact CG2-CB 3.97Å; I610-R813 HydrophobicContact CD1-CB 3.79Å; I610-L816 HydrophobicContact CD1-CD1 3.87Å; I610-L816 HydrophobicContact CG1-CD1 4.24Å
611T97.8Very high89.1Confident0 Ų035 Ų350%022%0.224CC..EExtended strand (participates in β ladder)trans-105.6141.5172.866.20000109.5D596 V597 V628 R629 Q631 I638D596-T611 WeakPolarHBondContact O-CA 3.4Å; V597-T611 HydrophobicContact CG1-CG2 4.43Å; V597-T611 HydrophobicContact CG2-CG2 3.86Å; T611-V628 CarbonylContact O-C 3.6Å; T611-V628 VanDerWaalsContact O-CA 3.3Å; T611-V628 WeakPolarHBondContact O-CA 3.2Å; T611-V628 VanDerWaalsContact O-CG2 3.3Å; T611-V628 WeakPolarHBondContact O-CG2 3.29Å; T611-R629 PolarHBondContact N-O 3.35Å; T611-R629 PolarHBondContact O-N 3.21Å; T611-Q631 HydrophobicContact CG2-CG 3.79Å; T611-I638 HydrophobicContact CG2-CB 4.4Å; T611-I638 HydrophobicContact CG2-CG1 4.12Å; T611-I638 HydrophobicContact CG2-CG2 4.15Å
612A98.4Very high89.9Confident0 Ų032.1 Ų32.10%021%0.206CC..EExtended strand (participates in β ladder)trans-137.4134.2176.700000109.8A595 D596 T627 A805 V808 A809A595-A612 VanDerWaalsContact CA-O 3.29Å; A595-A612 WeakPolarHBondContact CA-O 3.3Å; D596-A612 PolarHBondContact N-O 2.89Å; D596-A612 PolarHBondContact O-N 2.87Å; A612-T627 WeakPolarHBondContact CA-O 3.4Å; A612-A805 WeakPolarHBondContact CB-O 3.47Å; A612-V808 HydrophobicContact CB-CB 3.82Å; A612-V808 HydrophobicContact CB-CG1 3.64Å; A612-A809 HydrophobicContact CB-CB 3.95Å
613V98.8Very high91.3Very high0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-129.4128.2173.1-172.90000108.6G594 A595 T627 I638 L641 M644 L648 F665G594-V613 CarbonylContact O-C 3.53Å; G594-V613 VanDerWaalsContact O-CA 3.25Å; G594-V613 WeakPolarHBondContact O-CA 3.3Å; A595-V613 HydrophobicContact CB-CG2 4.01Å; V613-T627 PolarHBondContact N-O 2.64Å; V613-T627 PolarHBondContact O-N 3.19Å; V613-T627 PolarHBondContact O-OG1 3.34Å; V613-I638 HydrophobicContact CG2-CD1 4.25Å; V613-L641 HydrophobicContact CG2-CD1 3.7Å; V613-M644 HydrophobicContact CB-CB 4.4Å; V613-M644 HydrophobicContact CB-CE 3.89Å; V613-M644 HydrophobicContact CG2-CB 4.38Å; V613-M644 HydrophobicContact CG2-CE 3.61Å; V613-M644 HydrophobicContact CG2-SD 4.07Å; V613-L648 HydrophobicContact CB-CD1 4.23Å; V613-L648 HydrophobicContact CG1-CD1 3.65Å; V613-F665 HydrophobicContact CG1-CE2 4.38Å
614V98.9Very high92.9Very high0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-112.4153.4174.5-60.40000110.1L593 G594 Y624 C625 A626 P801 A805 V808L593-V614 VanDerWaalsContact CA-O 3.23Å; L593-V614 WeakPolarHBondContact CA-O 3.45Å; L593-V614 WeakPolarHBondContact CD2-O 3.42Å; G594-V614 PolarHBondContact N-O 3.14Å; G594-V614 PolarHBondContact O-N 3.2Å; V614-Y624 HydrophobicContact CB-CD1 4.28Å; V614-Y624 HydrophobicContact CG2-CD1 4.03Å; V614-C625 CarbonylContact C-O 3.52Å; V614-C625 WeakPolarHBondContact CA-O 3.44Å; V614-C625 WeakPolarHBondContact CB-O 3.35Å; V614-A626 HydrophobicContact CG1-CB 3.99Å; V614-P801 HydrophobicContact CG2-CB 4.25Å; V614-P801 WeakPolarHBondContact CG2-O 3.44Å; V614-A805 HydrophobicContact CG2-CB 4.4Å; V614-V808 HydrophobicContact CG1-CG2 3.88Å
615G98.8Very high94.3Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-134.9140.3173.900000111.8F592 M617 Y624 C625F592-G615 CarbonylContact O-C 3.54Å; F592-G615 WeakPolarHBondContact O-CA 3.42Å; G615-M617 WeakPolarHBondContact O-CE 3.29Å; G615-Y624 CarbonylContact O-C 3.58Å; G615-Y624 WeakPolarHBondContact O-CA 3.41Å; G615-Y624 WeakPolarHBondContact O-CD1 3.41Å; G615-C625 PolarHBondContact N-O 3.33Å; G615-C625 PolarHBondContact O-N 3.02Å
616S98.8Very high95.6Very high0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-62.3146.3172.259.70000110.3F592 R623 Y624 F652F592-S616 PolarHBondContact N-OG 3.28Å; F592-S616 PolarHBondContact O-N 2.98Å; S616-R623 CarbonylContact C-O 3.54Å; S616-R623 WeakPolarHBondContact CA-O 3.3Å; S616-Y624 VanDerWaalsContact N-CD1 3.29Å; S616-F652 VanDerWaalsContact O-CD2 3.26Å; S616-F652 WeakPolarHBondContact O-CD2 3.49Å
617M98.5Very high96.5Very high11 Ų1118.5 Ų18.55%0.05410%0.099CC..  trans-1236.1-172.1-63.3-68.6132.800113.7G615 R623 C625 L648 Q651 S655 T656G615-M617 WeakPolarHBondContact O-CE 3.29Å; M617-R623 HydrophobicContact CB-CB 4.39Å; M617-R623 PolarHBondContact N-O 2.72Å; M617-C625 HydrophobicContact CE-CB 3.84Å; M617-C625 HydrophobicContact CG-CB 3.94Å; M617-C625 VanDerWaalsContact CG-SG 3.59Å; M617-C625 HydrophobicContact SD-CB 3.92Å; M617-L648 HydrophobicContact CE-CB 4.42Å; M617-L648 HydrophobicContact CE-CD2 3.9Å; M617-Q651 HydrophobicContact SD-CB 4.05Å; M617-Q651 HydrophobicContact SD-CG 3.7Å; M617-S655 VanDerWaalsContact O-CB 3.31Å; M617-S655 WeakPolarHBondContact O-CB 3.37Å; M617-T656 WeakPolarHBondContact O-CG2 3.27Å
618D97.5Very high97.1Very high23 Ų2313.7 Ų13.712%0.1238%0.078CC..SBendtrans-148168.4178.559.254.9000109.7H620 P621 S622 R623D618-H620 PolarHBondContact O-N 3.44Å; D618-H620 VanDerWaalsContact OD1-CB 3.29Å; D618-H620 WeakPolarHBondContact OD1-CB 3.06Å; D618-H620 IonicContact OD1-CD2 2.83Å; D618-H620 IonicContact OD1-CG 3.93Å; D618-H620 PolarHBondContact OD1-N 3.43Å; D618-P621 WeakPolarHBondContact OD1-CA 3.2Å; D618-S622 PolarHBondContact OD1-N 3.49Å; D618-R623 VanDerWaalsContact OD2-CB 3.27Å; D618-R623 WeakPolarHBondContact OD2-CB 3.29Å; D618-R623 WeakPolarHBondContact OD2-CG 3.48Å; D618-R623 PolarHBondContact OD2-N 3.42Å
619A96.7Very high97.4Very high71 Ų7115.4 Ų15.459%0.5878%0.083SC*.SBendtrans-77-0.8-179.700000113.4R582R582-A619 PolarHBondContact NH1-O 3.42Å
620H95.5Very high97.5Very high45 Ų4516.5 Ų16.521%0.2089%0.09CC..SBendtrans-73.8-45.4-169.9-69.7-58.1000115.3Y442 I576 D618Y442-H620 AromaticContact CE1-NE2 3.96Å; I576-H620 HydrophobicContact CB-CB 4.13Å; I576-H620 WeakPolarHBondContact CD1-ND1 3.35Å; I576-H620 HydrophobicContact CG2-CB 3.77Å; D618-H620 PolarHBondContact O-N 3.44Å; D618-H620 VanDerWaalsContact OD1-CB 3.29Å; D618-H620 WeakPolarHBondContact OD1-CB 3.06Å; D618-H620 IonicContact OD1-CD2 2.83Å; D618-H620 IonicContact OD1-CG 3.93Å; D618-H620 PolarHBondContact OD1-N 3.43Å
621P94.3Very high97.4Very high1 Ų117.1 Ų17.11%0.0069%0.093CC..SBendcis-100.298.4-6.234.3-23.1000111.9F586 F592 D618 Y624 L785F586-P621 HydrophobicContact CE1-CG 4.01Å; F586-P621 HydrophobicContact CZ-CG 4.26Å; F592-P621 HydrophobicContact CD2-CB 3.72Å; F592-P621 HydrophobicContact CD2-CG 3.59Å; F592-P621 HydrophobicContact CE2-CB 4.09Å; F592-P621 HydrophobicContact CE2-CG 3.71Å; F592-P621 HydrophobicContact CG-CG 4.39Å; D618-P621 WeakPolarHBondContact OD1-CA 3.2Å; P621-Y624 WeakPolarHBondContact O-CE2 3.34Å; P621-L785 HydrophobicContact CG-CD2 3.8Å
622S95.6Very high97.1Very high7 Ų724.4 Ų24.45%0.04912%0.12CC..  trans-100.7-45.4-170.1-179.30000114.3D618 Y624D618-S622 PolarHBondContact OD1-N 3.49Å; S622-Y624 WeakPolarHBondContact O-CD2 3.37Å
623R97.8Very high96.6Very high83 Ų8327.1 Ų27.131%0.31314%0.137SC..  trans-86.6142.1-179.5-64.9-172.661.3162.1-7.4110.8G571 I573 S616 M617 D618 M855G571-R623 PolarHBondContact O-NH1 3.32Å; I573-R623 HydrophobicContact CG1-CG 4.25Å; S616-R623 CarbonylContact C-O 3.54Å; S616-R623 WeakPolarHBondContact CA-O 3.3Å; M617-R623 HydrophobicContact CB-CB 4.39Å; M617-R623 PolarHBondContact N-O 2.72Å; D618-R623 VanDerWaalsContact OD2-CB 3.27Å; D618-R623 WeakPolarHBondContact OD2-CB 3.29Å; D618-R623 WeakPolarHBondContact OD2-CG 3.48Å; D618-R623 PolarHBondContact OD2-N 3.42Å; R623-M855 HydrophobicContact CB-SD 4.49Å
624Y98.7Very high96.1Very high2 Ų232.8 Ų32.81%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-129.1140.7176.7-72.6-103.3000111.1F592 V614 G615 S616 P621 S622 P801 Y804 M855F592-Y624 HydrophobicContact CB-CE1 4.48Å; V614-Y624 HydrophobicContact CB-CD1 4.28Å; V614-Y624 HydrophobicContact CG2-CD1 4.03Å; G615-Y624 CarbonylContact O-C 3.58Å; G615-Y624 WeakPolarHBondContact O-CA 3.41Å; G615-Y624 WeakPolarHBondContact O-CD1 3.41Å; S616-Y624 VanDerWaalsContact N-CD1 3.29Å; P621-Y624 WeakPolarHBondContact O-CE2 3.34Å; S622-Y624 WeakPolarHBondContact O-CD2 3.37Å; Y624-P801 HydrophobicContact CE1-CB 3.79Å; Y624-P801 HydrophobicContact CE1-CG 4.43Å; Y624-Y804 HydrophobicContact CD1-CD2 4.22Å; Y624-Y804 AromaticContact CD2-CD2 3.71Å; Y624-Y804 HydrophobicContact CD2-CD2 3.71Å; Y624-Y804 AromaticContact CD2-CE2 3.48Å; Y624-Y804 HydrophobicContact CD2-CE2 3.48Å; Y624-Y804 VanDerWaalsContact CD2-CE2 3.48Å; Y624-Y804 HydrophobicContact CE2-CD2 4.17Å; Y624-Y804 AromaticContact CE2-CE2 3.79Å; Y624-Y804 HydrophobicContact CE2-CE2 3.79Å; Y624-Y804 AromaticContact CG-CD2 3.77Å; Y624-Y804 HydrophobicContact CG-CD2 3.77Å; Y624-Y804 HydrophobicContact CG-CE2 4.04Å; Y624-M855 HydrophobicContact CD2-CE 4.39Å; Y624-M855 PolarHBondContact N-SD 3.12Å; Y624-M855 VanDerWaalsContact N-SD 3.41Å; Y624-M855 WeakPolarHBondContact O-CG 3.38Å
625C98.4Very high95.8Very high8 Ų834.3 Ų34.35%0.05417%0.166CC..EExtended strand (participates in β ladder)trans-100.9161.2163.2-720000109.9V614 G615 M617 L648 Q651V614-C625 CarbonylContact C-O 3.52Å; V614-C625 WeakPolarHBondContact CA-O 3.44Å; V614-C625 WeakPolarHBondContact CB-O 3.35Å; G615-C625 PolarHBondContact N-O 3.33Å; G615-C625 PolarHBondContact O-N 3.02Å; M617-C625 HydrophobicContact CE-CB 3.84Å; M617-C625 HydrophobicContact CG-CB 3.94Å; M617-C625 VanDerWaalsContact CG-SG 3.59Å; M617-C625 HydrophobicContact SD-CB 3.92Å; C625-L648 HydrophobicContact CB-CD2 4.18Å; C625-Q651 HydrophobicContact CB-CG 4.39Å
626A98.4Very high95.5Very high7 Ų735.5 Ų35.56%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-128.5145.5-173.700000112.2V614 V808 Y856 F857V614-A626 HydrophobicContact CG1-CB 3.99Å; A626-V808 HydrophobicContact CB-CB 4.47Å; A626-V808 HydrophobicContact CB-CG1 4.11Å; A626-V808 HydrophobicContact CB-CG2 3.52Å; A626-Y856 HydrophobicContact CB-CE1 4.27Å; A626-F857 HydrophobicContact CB-CD1 3.95Å; A626-F857 HydrophobicContact CB-CE1 3.69Å
627T98.4Very high95.4Very high8 Ų836.9 Ų36.95%0.04918%0.179CC..EExtended strand (participates in β ladder)trans-126.4145.616859.60000108A612 V613 M644 E647 L648A612-T627 WeakPolarHBondContact CA-O 3.4Å; V613-T627 PolarHBondContact N-O 2.64Å; V613-T627 PolarHBondContact O-N 3.19Å; V613-T627 PolarHBondContact O-OG1 3.34Å; T627-M644 WeakPolarHBondContact O-CE 3.36Å; T627-M644 WeakPolarHBondContact OG1-CB 3.49Å; T627-M644 VanDerWaalsContact OG1-CE 3.31Å; T627-M644 WeakPolarHBondContact OG1-CE 3.41Å; T627-E647 HydrophobicContact CG2-CB 3.99Å; T627-E647 VanDerWaalsContact CG2-OE2 3.31Å; T627-E647 WeakPolarHBondContact CG2-OE2 3.48Å; T627-L648 HydrophobicContact CG2-CD1 4.48Å; T627-L648 HydrophobicContact CG2-CD2 4.07Å; T627-L648 HydrophobicContact CG2-CG 3.94Å
628V97.9Very high95.4Very high7 Ų736.6 Ų36.64%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-148.7137.8-174.965.30000111I610 T611 V808 A812 V845I610-V628 HydrophobicContact CG2-CG2 3.71Å; T611-V628 CarbonylContact O-C 3.6Å; T611-V628 VanDerWaalsContact O-CA 3.3Å; T611-V628 WeakPolarHBondContact O-CA 3.2Å; T611-V628 VanDerWaalsContact O-CG2 3.3Å; T611-V628 WeakPolarHBondContact O-CG2 3.29Å; V628-V808 HydrophobicContact CB-CG1 3.8Å; V628-V808 HydrophobicContact CG2-CG1 4.07Å; V628-A812 HydrophobicContact CG2-CB 3.6Å; V628-V845 HydrophobicContact CG1-CB 4.36Å; V628-V845 WeakPolarHBondContact CG1-O 3.36Å
629R96.9Very high95.3Very high51 Ų5139.3 Ų39.319%0.19219%0.189CC..EExtended strand (participates in β ladder)trans-136.8157.7179.1-57.6-69.6178.3-87.3-7.3110.7I610 T611 D640 M644 E647I610-R629 WeakPolarHBondContact CA-O 3.42Å; T611-R629 PolarHBondContact N-O 3.35Å; T611-R629 PolarHBondContact O-N 3.21Å; R629-D640 HydrophobicContact CG-CB 3.92Å; R629-M644 HydrophobicContact CG-CE 4.31Å; R629-M644 HydrophobicContact CG-CG 4.12Å; R629-M644 HydrophobicContact CG-SD 3.82Å; R629-E647 IonicContact CZ-OE2 2.75Å; R629-E647 IonicContact NH2-OE1 3.72Å; R629-E647 PolarHBondContact NH2-OE1 2.83Å; R629-E647 IonicContact NH2-OE2 3.52Å; R629-E647 PolarHBondContact NH2-OE2 3.4Å
630V95.4Very high95.3Very high23 Ų2339.4 Ų39.414%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-99.6141.7166.1-65.80000108P608 S609 L816 L841 A842 V845P608-V630 HydrophobicContact CB-CB 4.06Å; P608-V630 HydrophobicContact CB-CG1 4.49Å; P608-V630 HydrophobicContact CG-CB 4.22Å; P608-V630 HydrophobicContact CG-CG1 4.15Å; S609-V630 WeakPolarHBondContact O-CA 3.29Å; V630-L816 HydrophobicContact CG1-CD1 4.05Å; V630-L841 HydrophobicContact CG2-CB 4.01Å; V630-A842 HydrophobicContact CG2-CB 4.13Å; V630-V845 HydrophobicContact CG1-CG1 3.9Å; V630-V845 HydrophobicContact CG1-CG2 4.06Å
631Q93.8Very high95.5Very high13 Ų1337.3 Ų37.36%0.06117%0.17CC..EExtended strand (participates in β ladder)trans-142.3178.9177.772.3178.229.700111.1P608 S609 T611 Q635 I637 E639P608-Q631 VanDerWaalsContact CB-O 3.32Å; P608-Q631 WeakPolarHBondContact CB-O 3.24Å; S609-Q631 PolarHBondContact N-O 3.34Å; S609-Q631 VanDerWaalsContact N-O 3.11Å; S609-Q631 PolarHBondContact O-N 3.49Å; T611-Q631 HydrophobicContact CG2-CG 3.79Å; Q631-Q635 PolarHBondContact NE2-O 3.44Å; Q631-I637 PolarHBondContact NE2-O 3.41Å; Q631-I637 PolarHBondContact OE1-O 2.85Å; Q631-E639 VanDerWaalsContact OE1-N 3.11Å
632R91.3Very high95.7Very high153 Ų15338.1 Ų38.158%0.57718%0.176SC*.SBendtrans-50.4138.8-177.7-69.1-174.8-74.1164.8-2.7112.3S609 R634 Q635 E639S609-R632 WeakPolarHBondContact CB-O 3.38Å; S609-R632 PolarHBondContact OG-O 2.95Å; S609-R632 VanDerWaalsContact OG-O 3.13Å; R632-R634 PolarHBondContact O-N 3Å; R632-Q635 HydrophobicContact CB-CB 4.27Å; R632-Q635 PolarHBondContact O-N 3.07Å; R632-E639 IonicContact CZ-OE1 3.81Å; R632-E639 VanDerWaalsContact CZ-OE1 3.31Å; R632-E639 IonicContact NE-OE1 2.87Å; R632-E639 PolarHBondContact NE-OE1 3.41Å; R632-E639 IonicContact NH2-OE1 2.92Å; R632-E639 PolarHBondContact NH2-OE1 3.43Å
633P88.6Confident95.8Very high56 Ų5643.5 Ų43.536%0.36420%0.196SC..THydrogen-bonded Turntrans-54.1132.7179-25.133000112K607 Q635K607-P633 WeakPolarHBondContact O-CB 3.31Å; K607-P633 WeakPolarHBondContact O-CG 3.31Å; P633-Q635 PolarHBondContact O-N 3.23Å; P633-Q635 VanDerWaalsContact O-N 3.16Å
634R88.3Confident95.8Very high119 Ų11939.5 Ų39.545%0.44918%0.181SC..THydrogen-bonded Turntrans61.413.1177.9-53.4-177.9179.7-74.2-17.1116.5P601 D604 S609 R632P601-R634 PolarHBondContact O-NH2 2.92Å; D604-R634 PolarHBondContact O-NH2 3.05Å; S609-R634 WeakPolarHBondContact OG-CA 3.45Å; S609-R634 PolarHBondContact OG-N 2.89Å; R632-R634 PolarHBondContact O-N 3Å
635Q91.8Very high95.8Very high33 Ų3339.4 Ų39.415%0.15418%0.181CC..  trans-79.2130.4168.7-179.4165.8-22.700111.4H599 Q631 R632 P633 E639H599-Q635 PolarHBondContact CE1-O 2.77Å; Q631-Q635 PolarHBondContact NE2-O 3.44Å; R632-Q635 HydrophobicContact CB-CB 4.27Å; R632-Q635 PolarHBondContact O-N 3.07Å; P633-Q635 PolarHBondContact O-N 3.23Å; P633-Q635 VanDerWaalsContact O-N 3.16Å; Q635-E639 PolarHBondContact NE2-OE1 2.84Å; Q635-E639 PolarHBondContact OE1-OE1 3.31Å
636E93.9Very high95.9Very high25 Ų2543.6 Ų43.612%0.11720%0.195CC..  trans-94.6-28.5-178.9-74.8-72.1-155.900114.7V597 H599 I638 R667 I678V597-E636 WeakPolarHBondContact CB-OE2 3.12Å; H599-E636 IonicContact CD2-OE1 3.11Å; H599-E636 VanDerWaalsContact CE1-CD 3.44Å; H599-E636 IonicContact CE1-OE1 2.96Å; H599-E636 IonicContact CE1-OE2 3.94Å; H599-E636 IonicContact NE2-OE1 3.46Å; H599-E636 PolarHBondContact NE2-OE1 3.31Å; H599-E636 IonicContact NE2-OE2 3.15Å; H599-E636 PolarHBondContact NE2-OE2 2.8Å; E636-I638 PolarHBondContact O-N 3.16Å; E636-R667 PolarHBondContact O-NH2 3.39Å; E636-R667 IonicContact OE2-NH2 2.79Å; E636-I678 HydrophobicContact CB-CD1 3.75Å
637I96.1Very high95.9Very high29 Ų2946 Ų4615%0.14921%0.206CC..SBendtrans-67.1130.4174-62162.9000108.4Q631 E639 Q677 I678 Y681Q631-I637 PolarHBondContact NE2-O 3.41Å; Q631-I637 PolarHBondContact OE1-O 2.85Å; I637-E639 PolarHBondContact O-N 3.16Å; I637-Q677 HydrophobicContact CD1-CG 4.11Å; I637-I678 HydrophobicContact CG1-CG1 3.92Å; I637-Y681 HydrophobicContact CD1-CD2 3.7Å; I637-Y681 HydrophobicContact CD1-CE2 4.19Å; I637-Y681 HydrophobicContact CD1-CG 4.44Å; I637-Y681 HydrophobicContact CG2-CG 4.48Å
638I97.8Very high95.9Very high4 Ų445.8 Ų45.82%0.02120%0.204CC..  trans-75.9103.3174.7-58.7171000109.2A595 V597 T611 V613 E636 D640 L641 M644 E682A595-I638 HydrophobicContact CB-CD1 3.83Å; V597-I638 HydrophobicContact CG2-CD1 4.27Å; V597-I638 HydrophobicContact CG2-CG1 3.67Å; T611-I638 HydrophobicContact CG2-CB 4.4Å; T611-I638 HydrophobicContact CG2-CG1 4.12Å; T611-I638 HydrophobicContact CG2-CG2 4.15Å; V613-I638 HydrophobicContact CG2-CD1 4.25Å; E636-I638 PolarHBondContact O-N 3.16Å; I638-D640 PolarHBondContact O-N 3.23Å; I638-L641 HydrophobicContact CB-CB 4.02Å; I638-L641 HydrophobicContact CD1-CD1 4.36Å; I638-L641 HydrophobicContact CG2-CB 3.72Å; I638-L641 HydrophobicContact CG2-CD1 4.15Å; I638-L641 HydrophobicContact CG2-CG 4.48Å; I638-L641 WeakPolarHBondContact O-CB 3.48Å; I638-L641 PolarHBondContact O-N 3.48Å; I638-M644 HydrophobicContact CG2-SD 3.89Å; I638-E682 WeakPolarHBondContact CG1-OE1 3.44Å; I638-E682 PolarHBondContact N-OE1 2.78Å
639E95.8Very high95.9Very high81 Ų8145.8 Ų45.838%0.37920%0.204SC..THydrogen-bonded Turntrans-61-47-174.2-67.3-173.7143.800112.3Q631 R632 Q635 I637 L641Q631-E639 VanDerWaalsContact OE1-N 3.11Å; R632-E639 IonicContact CZ-OE1 3.81Å; R632-E639 VanDerWaalsContact CZ-OE1 3.31Å; R632-E639 IonicContact NE-OE1 2.87Å; R632-E639 PolarHBondContact NE-OE1 3.41Å; R632-E639 IonicContact NH2-OE1 2.92Å; R632-E639 PolarHBondContact NH2-OE1 3.43Å; Q635-E639 PolarHBondContact NE2-OE1 2.84Å; Q635-E639 PolarHBondContact OE1-OE1 3.31Å; I637-E639 PolarHBondContact O-N 3.16Å; E639-L641 VanDerWaalsContact C-N 3.31Å; E639-L641 PolarHBondContact O-N 2.67Å
640D97.2Very high96Very high73 Ų7346.3 Ų46.339%0.3921%0.209SC..THydrogen-bonded Turntrans-91.320.5-174.6-68.1-34.9000113.7R629 I638 S642 Y643 M644R629-D640 HydrophobicContact CG-CB 3.92Å; I638-D640 PolarHBondContact O-N 3.23Å; D640-S642 VanDerWaalsContact C-N 3.3Å; D640-S642 PolarHBondContact O-N 2.99Å; D640-Y643 PolarHBondContact O-N 3.37Å; D640-Y643 VanDerWaalsContact O-N 3.12Å; D640-M644 HydrophobicContact CB-CG 4.48Å; D640-M644 HydrophobicContact CB-SD 4.4Å; D640-M644 WeakPolarHBondContact O-CG 3.25Å; D640-M644 PolarHBondContact O-N 3.3Å
641L98.6Very high96.1Very high0 Ų046.6 Ų46.60%021%0.209CC..Hα-helixtrans-58.3-40.4-169.9-176.760.4000112.8V613 I638 E639 Y643 M644 V645 F665 E682 A685 I686V613-L641 HydrophobicContact CG2-CD1 3.7Å; I638-L641 HydrophobicContact CB-CB 4.02Å; I638-L641 HydrophobicContact CD1-CD1 4.36Å; I638-L641 HydrophobicContact CG2-CB 3.72Å; I638-L641 HydrophobicContact CG2-CD1 4.15Å; I638-L641 HydrophobicContact CG2-CG 4.48Å; I638-L641 WeakPolarHBondContact O-CB 3.48Å; I638-L641 PolarHBondContact O-N 3.48Å; E639-L641 VanDerWaalsContact C-N 3.31Å; E639-L641 PolarHBondContact O-N 2.67Å; L641-Y643 VanDerWaalsContact C-N 3.32Å; L641-Y643 PolarHBondContact O-N 3.48Å; L641-M644 PolarHBondContact O-N 3.14Å; L641-V645 HydrophobicContact CD1-CG2 3.74Å; L641-V645 HydrophobicContact CG-CG2 4.03Å; L641-V645 WeakPolarHBondContact O-CB 3.35Å; L641-V645 VanDerWaalsContact O-CG2 3.27Å; L641-V645 WeakPolarHBondContact O-CG2 3.08Å; L641-V645 PolarHBondContact O-N 2.74Å; L641-F665 HydrophobicContact CD1-CE2 4.21Å; L641-F665 HydrophobicContact CD1-CZ 4.22Å; L641-F665 HydrophobicContact CD2-CZ 4.26Å; L641-E682 HydrophobicContact CD2-CB 3.47Å; L641-E682 VanDerWaalsContact CD2-CB 3.47Å; L641-E682 HydrophobicContact CD2-CG 3.68Å; L641-A685 HydrophobicContact CB-CB 3.91Å; L641-A685 HydrophobicContact CD2-CB 4.26Å; L641-A685 HydrophobicContact CG-CB 4.24Å; L641-I686 HydrophobicContact CD2-CD1 4.41Å; L641-I686 HydrophobicContact CD2-CG1 4.07Å; L641-I686 HydrophobicContact CG-CG1 4.47Å
642S98.7Very high96.4Very high19 Ų1946.2 Ų46.213%0.13321%0.208CC..Hα-helixtrans-57.7-46.5179167.50000111.4D640 V645 R646 A685 D688 A689D640-S642 VanDerWaalsContact C-N 3.3Å; D640-S642 PolarHBondContact O-N 2.99Å; S642-V645 PolarHBondContact O-N 3.47Å; S642-R646 VanDerWaalsContact O-CB 3.31Å; S642-R646 WeakPolarHBondContact O-CB 3.45Å; S642-R646 PolarHBondContact O-N 2.89Å; S642-A685 WeakPolarHBondContact CA-O 3.16Å; S642-A685 WeakPolarHBondContact CB-O 3.42Å; S642-D688 VanDerWaalsContact CB-OD2 3.3Å; S642-D688 WeakPolarHBondContact CB-OD2 3.2Å; S642-D688 PolarHBondContact OG-OD2 2.94Å; S642-A689 WeakPolarHBondContact O-CB 3.47Å
643Y98.1Very high96.7Very high119 Ų11943.9 Ų43.947%0.46720%0.199SC..Hα-helixtrans-66.9-42.8179.3-175.6-108.7000111.9D640 L641 R646 E647D640-Y643 PolarHBondContact O-N 3.37Å; D640-Y643 VanDerWaalsContact O-N 3.12Å; L641-Y643 VanDerWaalsContact C-N 3.32Å; L641-Y643 PolarHBondContact O-N 3.48Å; Y643-R646 WeakPolarHBondContact O-CB 3.49Å; Y643-R646 PolarHBondContact O-N 2.79Å; Y643-E647 VanDerWaalsContact CE1-CD 3.5Å; Y643-E647 HydrophobicContact CE1-CG 4.15Å; Y643-E647 WeakPolarHBondContact CE1-OE1 3.45Å; Y643-E647 PolarHBondContact O-N 3Å; Y643-E647 PolarHBondContact OH-OE1 3.06Å
644M98.7Very high97.2Very high0 Ų046.2 Ų46.20%020%0.204CC..Hα-helixtrans-61.1-45.5177.4-67.2173.284.500112.2V613 T627 R629 I638 D640 L641 E647 L648V613-M644 HydrophobicContact CB-CB 4.4Å; V613-M644 HydrophobicContact CB-CE 3.89Å; V613-M644 HydrophobicContact CG2-CB 4.38Å; V613-M644 HydrophobicContact CG2-CE 3.61Å; V613-M644 HydrophobicContact CG2-SD 4.07Å; T627-M644 WeakPolarHBondContact O-CE 3.36Å; T627-M644 WeakPolarHBondContact OG1-CB 3.49Å; T627-M644 VanDerWaalsContact OG1-CE 3.31Å; T627-M644 WeakPolarHBondContact OG1-CE 3.41Å; R629-M644 HydrophobicContact CG-CE 4.31Å; R629-M644 HydrophobicContact CG-CG 4.12Å; R629-M644 HydrophobicContact CG-SD 3.82Å; I638-M644 HydrophobicContact CG2-SD 3.89Å; D640-M644 HydrophobicContact CB-CG 4.48Å; D640-M644 HydrophobicContact CB-SD 4.4Å; D640-M644 WeakPolarHBondContact O-CG 3.25Å; D640-M644 PolarHBondContact O-N 3.3Å; L641-M644 PolarHBondContact O-N 3.14Å; M644-E647 PolarHBondContact O-N 3.49Å; M644-L648 WeakPolarHBondContact O-CG 3.31Å; M644-L648 PolarHBondContact O-N 3.03Å
645V98.9Very high97.6Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-65.6-42.2177.4171.80000110.6L593 L641 S642 E647 L648 L649 I686 A689L593-V645 HydrophobicContact CD1-CG1 4.34Å; L593-V645 HydrophobicContact CD1-CG2 4.19Å; L641-V645 HydrophobicContact CD1-CG2 3.74Å; L641-V645 HydrophobicContact CG-CG2 4.03Å; L641-V645 WeakPolarHBondContact O-CB 3.35Å; L641-V645 VanDerWaalsContact O-CG2 3.27Å; L641-V645 WeakPolarHBondContact O-CG2 3.08Å; L641-V645 PolarHBondContact O-N 2.74Å; S642-V645 PolarHBondContact O-N 3.47Å; V645-E647 PolarHBondContact O-N 2.78Å; V645-L648 PolarHBondContact O-N 2.75Å; V645-L649 HydrophobicContact CG1-CD1 3.82Å; V645-L649 HydrophobicContact CG1-CG 4.16Å; V645-L649 WeakPolarHBondContact O-CG 3.35Å; V645-L649 PolarHBondContact O-N 3.46Å; V645-I686 HydrophobicContact CG1-CG2 4.45Å; V645-I686 HydrophobicContact CG2-CG1 4.16Å; V645-A689 HydrophobicContact CB-CB 3.93Å; V645-A689 HydrophobicContact CG1-CB 3.81Å
646R98.8Very high97.9Very high95 Ų9543.2 Ų43.236%0.35820%0.204SC..Hα-helixtrans-57-47.3175.7-178.8-179.2175.8-178.11112S642 Y643 L648 L649 I650 A689 L693S642-R646 VanDerWaalsContact O-CB 3.31Å; S642-R646 WeakPolarHBondContact O-CB 3.45Å; S642-R646 PolarHBondContact O-N 2.89Å; Y643-R646 WeakPolarHBondContact O-CB 3.49Å; Y643-R646 PolarHBondContact O-N 2.79Å; R646-L648 VanDerWaalsContact C-N 3.3Å; R646-L648 PolarHBondContact O-N 3.34Å; R646-L649 PolarHBondContact O-N 3.24Å; R646-I650 HydrophobicContact CG-CD1 4.01Å; R646-I650 VanDerWaalsContact O-CG1 3.31Å; R646-I650 WeakPolarHBondContact O-CG1 3.48Å; R646-I650 PolarHBondContact O-N 3.45Å; R646-A689 HydrophobicContact CB-CB 4.25Å; R646-L693 HydrophobicContact CG-CD1 4.33Å; R646-L693 HydrophobicContact CG-CD2 3.8Å; R646-L693 HydrophobicContact CG-CG 4.02Å
647E98.4Very high98.1Very high59 Ų5950.4 Ų50.428%0.27623%0.23SC..Hα-helixtrans-57.7-43.8176.8-74.9-175.4156.100111.6T627 R629 Y643 M644 V645 Q651T627-E647 HydrophobicContact CG2-CB 3.99Å; T627-E647 VanDerWaalsContact CG2-OE2 3.31Å; T627-E647 WeakPolarHBondContact CG2-OE2 3.48Å; R629-E647 IonicContact CZ-OE2 2.75Å; R629-E647 IonicContact NH2-OE1 3.72Å; R629-E647 PolarHBondContact NH2-OE1 2.83Å; R629-E647 IonicContact NH2-OE2 3.52Å; R629-E647 PolarHBondContact NH2-OE2 3.4Å; Y643-E647 VanDerWaalsContact CE1-CD 3.5Å; Y643-E647 HydrophobicContact CE1-CG 4.15Å; Y643-E647 WeakPolarHBondContact CE1-OE1 3.45Å; Y643-E647 PolarHBondContact O-N 3Å; Y643-E647 PolarHBondContact OH-OE1 3.06Å; M644-E647 PolarHBondContact O-N 3.49Å; V645-E647 PolarHBondContact O-N 2.78Å; E647-Q651 WeakPolarHBondContact O-CB 3.3Å; E647-Q651 PolarHBondContact O-N 2.89Å
648L98.8Very high98.2Very high3 Ų355 Ų552%0.01625%0.249CC..Hα-helixtrans-68.6-39.6179.7-67.3171.2000112.7L593 V613 M617 C625 T627 M644 V645 R646 Q651 F652L593-L648 HydrophobicContact CD2-CB 4.48Å; L593-L648 HydrophobicContact CD2-CD1 3.94Å; V613-L648 HydrophobicContact CB-CD1 4.23Å; V613-L648 HydrophobicContact CG1-CD1 3.65Å; M617-L648 HydrophobicContact CE-CB 4.42Å; M617-L648 HydrophobicContact CE-CD2 3.9Å; C625-L648 HydrophobicContact CB-CD2 4.18Å; T627-L648 HydrophobicContact CG2-CD1 4.48Å; T627-L648 HydrophobicContact CG2-CD2 4.07Å; T627-L648 HydrophobicContact CG2-CG 3.94Å; M644-L648 WeakPolarHBondContact O-CG 3.31Å; M644-L648 PolarHBondContact O-N 3.03Å; V645-L648 PolarHBondContact O-N 2.75Å; R646-L648 VanDerWaalsContact C-N 3.3Å; R646-L648 PolarHBondContact O-N 3.34Å; L648-Q651 PolarHBondContact O-N 2.83Å; L648-F652 WeakPolarHBondContact O-CB 3.39Å; L648-F652 PolarHBondContact O-N 3.15Å
649L98.8Very high98.2Very high7 Ų759.5 Ų59.54%0.03727%0.268CS..Hα-helixtrans-64.2-43.7175.9-71.7172.7000111.6I591 V645 R646 Q651 F652 Y653 P660 I663 L693 Y697I591-L649 HydrophobicContact CD1-CD2 4.35Å; I591-L649 HydrophobicContact CG2-CD2 4.18Å; V645-L649 HydrophobicContact CG1-CD1 3.82Å; V645-L649 HydrophobicContact CG1-CG 4.16Å; V645-L649 WeakPolarHBondContact O-CG 3.35Å; V645-L649 PolarHBondContact O-N 3.46Å; R646-L649 PolarHBondContact O-N 3.24Å; L649-Q651 VanDerWaalsContact C-N 3.32Å; L649-Q651 PolarHBondContact O-N 2.84Å; L649-F652 PolarHBondContact O-N 3.25Å; L649-Y653 PolarHBondContact O-N 3.26Å; L649-P660 HydrophobicContact CD2-CG 3.89Å; L649-I663 HydrophobicContact CD2-CD1 4.29Å; L649-L693 HydrophobicContact CB-CD1 3.64Å; L649-L693 HydrophobicContact CD1-CD1 3.66Å; L649-L693 HydrophobicContact CG-CD1 4.32Å; L649-Y697 HydrophobicContact CD1-CE1 4.26Å
650I98.6Very high98.3Very high61 Ų6155.8 Ų55.831%0.31325%0.251SS..Hα-helixtrans-60.1-45.4174-68.6168000110.2R646 Y653 K654 L693R646-I650 HydrophobicContact CG-CD1 4.01Å; R646-I650 VanDerWaalsContact O-CG1 3.31Å; R646-I650 WeakPolarHBondContact O-CG1 3.48Å; R646-I650 PolarHBondContact O-N 3.45Å; I650-Y653 PolarHBondContact O-N 3.16Å; I650-K654 HydrophobicContact CG2-CD 4.11Å; I650-K654 WeakPolarHBondContact O-CG 3.35Å; I650-K654 PolarHBondContact O-N 3.31Å; I650-L693 HydrophobicContact CD1-CD2 3.84Å; I650-L693 HydrophobicContact CG1-CD2 3.61Å
651Q98.4Very high98.4Very high29 Ų2954.9 Ų54.914%0.13625%0.248CC..Hα-helixtrans-69.3-34.5-179.2-170.654.848.400112.2M617 C625 E647 L648 L649 K654 S655M617-Q651 HydrophobicContact SD-CB 4.05Å; M617-Q651 HydrophobicContact SD-CG 3.7Å; C625-Q651 HydrophobicContact CB-CG 4.39Å; E647-Q651 WeakPolarHBondContact O-CB 3.3Å; E647-Q651 PolarHBondContact O-N 2.89Å; L648-Q651 PolarHBondContact O-N 2.83Å; L649-Q651 VanDerWaalsContact C-N 3.32Å; L649-Q651 PolarHBondContact O-N 2.84Å; Q651-K654 PolarHBondContact O-N 3.35Å; Q651-S655 PolarHBondContact NE2-OG 3.43Å; Q651-S655 WeakPolarHBondContact O-CB 3.41Å; Q651-S655 PolarHBondContact O-N 2.74Å; Q651-S655 PolarHBondContact O-OG 3.11Å
652F98.7Very high98.4Very high6 Ų657.6 Ų57.63%0.02626%0.259CS..Hα-helixtrans-60.7-48.5172.4-178.5-85.6000111.2I591 S616 L648 L649 K654 S655 T656 F658 P660I591-F652 HydrophobicContact CB-CD2 4.09Å; I591-F652 HydrophobicContact CB-CE2 4.17Å; I591-F652 HydrophobicContact CD1-CB 3.89Å; I591-F652 HydrophobicContact CD1-CD2 3.95Å; I591-F652 HydrophobicContact CD1-CG 4.12Å; I591-F652 HydrophobicContact CG1-CD2 3.9Å; I591-F652 HydrophobicContact CG1-CE2 4.37Å; I591-F652 HydrophobicContact CG1-CG 4.49Å; S616-F652 VanDerWaalsContact O-CD2 3.26Å; S616-F652 WeakPolarHBondContact O-CD2 3.49Å; L648-F652 WeakPolarHBondContact O-CB 3.39Å; L648-F652 PolarHBondContact O-N 3.15Å; L649-F652 PolarHBondContact O-N 3.25Å; F652-K654 VanDerWaalsContact C-N 3.32Å; F652-K654 PolarHBondContact O-N 2.85Å; F652-S655 PolarHBondContact O-N 3.39Å; F652-T656 HydrophobicContact CD1-CG2 4.41Å; F652-T656 WeakPolarHBondContact CD1-OG1 3.36Å; F652-T656 HydrophobicContact CD2-CG2 4.28Å; F652-T656 HydrophobicContact CE1-CG2 4.15Å; F652-T656 VanDerWaalsContact CE1-OG1 3.24Å; F652-T656 WeakPolarHBondContact CE1-OG1 3.12Å; F652-T656 HydrophobicContact CE2-CG2 4.03Å; F652-T656 HydrophobicContact CG-CG2 4.49Å; F652-T656 HydrophobicContact CZ-CG2 3.97Å; F652-T656 WeakPolarHBondContact O-CB 3.18Å; F652-T656 PolarHBondContact O-N 3.32Å; F652-T656 PolarHBondContact O-OG1 2.75Å; F652-F658 VanDerWaalsContact CD1-O 3.28Å; F652-F658 WeakPolarHBondContact CD1-O 3.42Å; F652-F658 HydrophobicContact CE1-CB 4.35Å; F652-F658 WeakPolarHBondContact CE1-O 3.23Å; F652-P660 HydrophobicContact CD1-CG 3.49Å; F652-P660 VanDerWaalsContact CD1-CG 3.49Å; F652-P660 HydrophobicContact CE1-CG 3.62Å; F652-P660 HydrophobicContact CG-CG 4.05Å; F652-P660 HydrophobicContact CZ-CG 4.26Å
653Y98.5Very high98.4Very high103 Ų10356.7 Ų56.740%0.40425%0.252SS..Hα-helixtrans-62.3-40.3177.4-177.1-101.1000111.7L649 I650 S655 R657 K659L649-Y653 PolarHBondContact O-N 3.26Å; I650-Y653 PolarHBondContact O-N 3.16Å; Y653-S655 VanDerWaalsContact C-N 3.32Å; Y653-S655 PolarHBondContact O-N 3.44Å; Y653-R657 WeakPolarHBondContact O-CA 3.26Å; Y653-R657 PolarHBondContact O-N 3.24Å; Y653-K659 HydrophobicContact CD2-CG 3.9Å; Y653-K659 HydrophobicContact CE2-CG 4.06Å
654K97.9Very high98.5Very high106 Ų10651 Ų5146%0.46123%0.23SC..Hα-helixtrans-61.8-38.7174.9-74.7175.1-179.5176.70112.6I650 Q651 F652I650-K654 HydrophobicContact CG2-CD 4.11Å; I650-K654 WeakPolarHBondContact O-CG 3.35Å; I650-K654 PolarHBondContact O-N 3.31Å; Q651-K654 PolarHBondContact O-N 3.35Å; F652-K654 VanDerWaalsContact C-N 3.32Å; F652-K654 PolarHBondContact O-N 2.85Å
655S97.2Very high98.5Very high61 Ų6151 Ų5143%0.42723%0.23SC..Hα-helixtrans-79.2-34.8-177.7-560000113.2M617 Q651 F652 Y653M617-S655 VanDerWaalsContact O-CB 3.31Å; M617-S655 WeakPolarHBondContact O-CB 3.37Å; Q651-S655 PolarHBondContact NE2-OG 3.43Å; Q651-S655 WeakPolarHBondContact O-CB 3.41Å; Q651-S655 PolarHBondContact O-N 2.74Å; Q651-S655 PolarHBondContact O-OG 3.11Å; F652-S655 PolarHBondContact O-N 3.39Å; Y653-S655 VanDerWaalsContact C-N 3.32Å; Y653-S655 PolarHBondContact O-N 3.44Å
656T97.9Very high98.5Very high28 Ų2851 Ų5117%0.17223%0.23CC..Hα-helixtrans-113.6-19.4-169.767.20000114.3M617 F652 F658M617-T656 WeakPolarHBondContact O-CG2 3.27Å; F652-T656 HydrophobicContact CD1-CG2 4.41Å; F652-T656 WeakPolarHBondContact CD1-OG1 3.36Å; F652-T656 HydrophobicContact CD2-CG2 4.28Å; F652-T656 HydrophobicContact CE1-CG2 4.15Å; F652-T656 VanDerWaalsContact CE1-OG1 3.24Å; F652-T656 WeakPolarHBondContact CE1-OG1 3.12Å; F652-T656 HydrophobicContact CE2-CG2 4.03Å; F652-T656 HydrophobicContact CG-CG2 4.49Å; F652-T656 HydrophobicContact CZ-CG2 3.97Å; F652-T656 WeakPolarHBondContact O-CB 3.18Å; F652-T656 PolarHBondContact O-N 3.32Å; F652-T656 PolarHBondContact O-OG1 2.75Å; T656-F658 WeakPolarHBondContact O-CD2 3.26Å; T656-F658 PolarHBondContact O-N 2.97Å; T656-F658 PolarHBondContact OG1-N 2.9Å; T656-F658 VanDerWaalsContact OG1-N 3.15Å; T656-F658 PolarHBondContact OG1-O 3.41Å
657R98.3Very high98.4Very high175 Ų17546.5 Ų46.566%0.6621%0.213SC*.SBendtrans60.914.4-167.5-54-58.6-176.7167.51.9114.9Y653Y653-R657 WeakPolarHBondContact O-CA 3.26Å; Y653-R657 PolarHBondContact O-N 3.24Å
658F98.3Very high98.2Very high127 Ų12744.2 Ų44.256%0.55720%0.203SC*.  trans-112.4143.7174.8-68.6-75.7000111.4P589 F652 T656P589-F658 HydrophobicContact CB-CB 3.73Å; P589-F658 HydrophobicContact CB-CG 4.38Å; P589-F658 HydrophobicContact CG-CB 3.62Å; P589-F658 HydrophobicContact CG-CD1 3.74Å; P589-F658 HydrophobicContact CG-CG 3.79Å; F652-F658 VanDerWaalsContact CD1-O 3.28Å; F652-F658 WeakPolarHBondContact CD1-O 3.42Å; F652-F658 HydrophobicContact CE1-CB 4.35Å; F652-F658 WeakPolarHBondContact CE1-O 3.23Å; T656-F658 WeakPolarHBondContact O-CD2 3.26Å; T656-F658 PolarHBondContact O-N 2.97Å; T656-F658 PolarHBondContact OG1-N 2.9Å; T656-F658 VanDerWaalsContact OG1-N 3.15Å; T656-F658 PolarHBondContact OG1-O 3.41Å
659K98.2Very high97.3Very high97 Ų9746 Ų4642%0.42222%0.221SC..  trans-86.5127.6166.1-63.1-178.9-173.8174.40108.1P589 Y653 T661 E694 Y697P589-K659 WeakPolarHBondContact CB-O 3.5Å; Y653-K659 HydrophobicContact CD2-CG 3.9Å; Y653-K659 HydrophobicContact CE2-CG 4.06Å; K659-T661 PolarHBondContact O-N 3.26Å; K659-E694 VanDerWaalsContact NZ-CD 3.35Å; K659-E694 IonicContact NZ-OE1 2.84Å; K659-E694 PolarHBondContact NZ-OE1 3.43Å; K659-E694 IonicContact NZ-OE2 3.83Å; K659-E694 PolarHBondContact NZ-OE2 2.99Å; K659-Y697 HydrophobicContact CB-CE2 4.29Å
660P98.4Very high96.8Very high3 Ų345.7 Ų45.72%0.01922%0.22CC..  trans-57.6128.5175.8-24.232.7000111.5P589 I591 L649 F652 R662 Y697 P699P589-P660 CarbonylContact O-C 3.59Å; I591-P660 HydrophobicContact CB-CB 4.19Å; I591-P660 HydrophobicContact CB-CG 3.93Å; I591-P660 HydrophobicContact CG2-CB 3.81Å; I591-P660 HydrophobicContact CG2-CG 3.83Å; L649-P660 HydrophobicContact CD2-CG 3.89Å; F652-P660 HydrophobicContact CD1-CG 3.49Å; F652-P660 VanDerWaalsContact CD1-CG 3.49Å; F652-P660 HydrophobicContact CE1-CG 3.62Å; F652-P660 HydrophobicContact CG-CG 4.05Å; F652-P660 HydrophobicContact CZ-CG 4.26Å; P660-R662 VanDerWaalsContact C-N 3.34Å; P660-Y697 WeakPolarHBondContact CD-OH 3.46Å; P660-Y697 VanDerWaalsContact O-CE2 3.24Å; P660-Y697 WeakPolarHBondContact O-CE2 3.48Å; P660-Y697 PolarHBondContact O-OH 2.98Å; P660-P699 WeakPolarHBondContact O-CB 2.92Å
661T98.5Very high96.1Very high54 Ų5445.2 Ų45.233%0.33122%0.221SC..SBendtrans-83.1-20.9168.759.30000111.5Q588 P589 K659 P699 G700Q588-T661 HydrophobicContact CB-CG2 4.37Å; Q588-T661 WeakPolarHBondContact CB-OG1 3.15Å; Q588-T661 PolarHBondContact OE1-OG1 2.97Å; P589-T661 PolarHBondContact O-N 2.83Å; P589-T661 PolarHBondContact O-OG1 3.48Å; K659-T661 PolarHBondContact O-N 3.26Å; T661-P699 WeakPolarHBondContact O-CA 3.18Å; T661-P699 WeakPolarHBondContact O-CB 3.35Å; T661-G700 PolarHBondContact O-N 3.47Å
662R98.6Very high95.3Very high57 Ų5746.6 Ų46.622%0.21523%0.227CC..EExtended strand (participates in β ladder)trans-136.1142.3-178.8-56-172.6177.77110.6111.6Q588 V590 I591 P660 G700 N771Q588-R662 VanDerWaalsContact OE1-CZ 3.27Å; V590-R662 WeakPolarHBondContact CA-O 3.46Å; V590-R662 HydrophobicContact CB-CB 4.26Å; V590-R662 HydrophobicContact CG2-CB 3.96Å; I591-R662 PolarHBondContact N-O 3.22Å; I591-R662 VanDerWaalsContact N-O 3.08Å; P660-R662 VanDerWaalsContact C-N 3.34Å; R662-G700 CarbonylContact C-O 3.59Å; R662-G700 WeakPolarHBondContact CA-O 3.46Å; R662-N771 VanDerWaalsContact CD-OD1 3.29Å; R662-N771 WeakPolarHBondContact CD-OD1 3.4Å; R662-N771 WeakPolarHBondContact CG-OD1 3.41Å
663I98.9Very high94.5Very high0 Ų050.1 Ų50.10%027%0.266CS..EExtended strand (participates in β ladder)trans-118.8115.9172.5-59179.4000108.3I591 L593 L649 I686 P699 G700 I701 T702I591-I663 HydrophobicContact CG2-CB 4.26Å; I591-I663 HydrophobicContact CG2-CG1 3.81Å; I591-I663 HydrophobicContact CG2-CG2 4.28Å; L593-I663 HydrophobicContact CD1-CG2 3.62Å; L593-I663 HydrophobicContact CG-CG2 4.12Å; L649-I663 HydrophobicContact CD2-CD1 4.29Å; I663-I686 HydrophobicContact CD1-CG2 3.99Å; I663-I686 HydrophobicContact CG2-CG2 4.44Å; I663-P699 HydrophobicContact CD1-CB 4.41Å; I663-P699 HydrophobicContact CD1-CG 3.62Å; I663-P699 HydrophobicContact CG1-CB 4.22Å; I663-P699 HydrophobicContact CG1-CG 3.97Å; I663-G700 PolarHBondContact N-O 3.36Å; I663-I701 HydrophobicContact CB-CG1 4.4Å; I663-I701 WeakPolarHBondContact O-CA 3.35Å; I663-T702 PolarHBondContact O-N 3.12Å
664I98.9Very high93.9Very high0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-105.2110.4176-47.2-56.6000108.5V585 V590 I591 F592 L593 Y666 I704 F773V585-I664 HydrophobicContact CG2-CD1 4.44Å; V590-I664 HydrophobicContact CG2-CD1 4.49Å; V590-I664 HydrophobicContact CG2-CG1 3.72Å; I591-I664 PolarHBondContact O-N 2.84Å; F592-I664 HydrophobicContact CD1-CB 3.8Å; F592-I664 HydrophobicContact CD1-CG1 4.14Å; F592-I664 HydrophobicContact CD1-CG2 4.17Å; F592-I664 HydrophobicContact CE1-CB 4.04Å; F592-I664 HydrophobicContact CE1-CG1 3.9Å; F592-I664 HydrophobicContact CE1-CG2 4.33Å; L593-I664 PolarHBondContact N-O 3.37Å; I664-Y666 HydrophobicContact CG2-CD2 4.32Å; I664-Y666 HydrophobicContact CG2-CE2 3.73Å; I664-I704 HydrophobicContact CG2-CD1 4.14Å; I664-F773 HydrophobicContact CD1-CE2 3.6Å; I664-F773 HydrophobicContact CD1-CZ 3.76Å
665F98.9Very high93.4Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-110.5112.2-170.3-172.9-98.8000111.7L593 A595 V613 L641 R667 I686 T702 Y703 I704L593-F665 HydrophobicContact CB-CD2 3.55Å; L593-F665 HydrophobicContact CB-CE2 4.23Å; L593-F665 HydrophobicContact CB-CG 4.44Å; L593-F665 HydrophobicContact CD1-CD2 3.88Å; L593-F665 HydrophobicContact CD1-CE2 4.47Å; L593-F665 HydrophobicContact CG-CD2 4.36Å; A595-F665 HydrophobicContact CB-CE1 4.12Å; A595-F665 HydrophobicContact CB-CE2 3.76Å; A595-F665 HydrophobicContact CB-CZ 3.33Å; V613-F665 HydrophobicContact CG1-CE2 4.38Å; L641-F665 HydrophobicContact CD1-CE2 4.21Å; L641-F665 HydrophobicContact CD1-CZ 4.22Å; L641-F665 HydrophobicContact CD2-CZ 4.26Å; F665-R667 HydrophobicContact CD1-CB 4.17Å; F665-R667 HydrophobicContact CE1-CB 3.75Å; F665-R667 HydrophobicContact CE1-CG 4.29Å; F665-I686 HydrophobicContact CB-CD1 4.44Å; F665-I686 HydrophobicContact CD1-CD1 4.27Å; F665-I686 HydrophobicContact CD2-CD1 4.02Å; F665-I686 HydrophobicContact CE1-CD1 4.5Å; F665-I686 HydrophobicContact CE2-CD1 4.32Å; F665-I686 HydrophobicContact CG-CD1 4.01Å; F665-T702 PolarHBondContact N-O 2.97Å; F665-Y703 AromaticContact CD1-CD2 3.51Å; F665-Y703 HydrophobicContact CD1-CD2 3.51Å; F665-Y703 HydrophobicContact CD1-CE1 4.35Å; F665-Y703 AromaticContact CD1-CE2 3.33Å; F665-Y703 HydrophobicContact CD1-CE2 3.33Å; F665-Y703 HydrophobicContact CD1-CG 4.11Å; F665-Y703 AromaticContact CD1-CZ 3.8Å; F665-Y703 HydrophobicContact CE1-CD2 4.02Å; F665-Y703 HydrophobicContact CE1-CE1 4.49Å; F665-Y703 AromaticContact CE1-CE2 3.33Å; F665-Y703 HydrophobicContact CE1-CE2 3.33Å; F665-Y703 AromaticContact CE1-CZ 3.61Å; F665-Y703 HydrophobicContact CG-CD2 4.33Å; F665-Y703 HydrophobicContact CG-CE2 4.43Å; F665-Y703 HydrophobicContact CZ-CE2 4.45Å; F665-I704 PolarHBondContact O-N 3.21Å
666Y98.8Very high93.1Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-99111.2174.3-71.6-84.7000111.2L593 G594 A595 I664 I704 V706 Y764 T782 L785 P799 P801L593-Y666 PolarHBondContact O-N 3.33Å; G594-Y666 CarbonylContact C-O 3.44Å; G594-Y666 WeakPolarHBondContact CA-O 3.42Å; A595-Y666 PolarHBondContact N-O 3.16Å; I664-Y666 HydrophobicContact CG2-CD2 4.32Å; I664-Y666 HydrophobicContact CG2-CE2 3.73Å; Y666-I704 CarbonylContact C-O 3.56Å; Y666-I704 WeakPolarHBondContact CA-O 3.09Å; Y666-I704 HydrophobicContact CD1-CB 4.03Å; Y666-I704 HydrophobicContact CD1-CD1 4.2Å; Y666-I704 HydrophobicContact CD1-CG2 4.06Å; Y666-I704 HydrophobicContact CE1-CB 4.21Å; Y666-I704 HydrophobicContact CE1-CD1 3.65Å; Y666-I704 HydrophobicContact CE1-CG2 4.06Å; Y666-I704 HydrophobicContact CE2-CD1 4.37Å; Y666-V706 HydrophobicContact CD1-CG2 3.62Å; Y666-V706 HydrophobicContact CG-CG2 4.36Å; Y666-Y764 HydrophobicContact CD1-CD1 4.49Å; Y666-Y764 HydrophobicContact CD1-CE1 4.47Å; Y666-Y764 HydrophobicContact CE1-CD1 4.22Å; Y666-Y764 HydrophobicContact CE1-CE1 4.25Å; Y666-T782 HydrophobicContact CE1-CG2 4.09Å; Y666-T782 PolarHBondContact OH-OG1 2.94Å; Y666-L785 HydrophobicContact CD2-CD1 4.45Å; Y666-L785 HydrophobicContact CE2-CD1 3.51Å; Y666-P799 HydrophobicContact CD1-CG 3.91Å; Y666-P799 HydrophobicContact CE1-CG 3.8Å; Y666-P799 HydrophobicContact CG-CG 4.34Å; Y666-P801 HydrophobicContact CD2-CG 4.18Å
667R98.2Very high92.7Very high0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-102.4112.1-179.3-176.770.8179.975.48.4111.6V597 E636 F665 V670 E682 Y703 I704 V705 V706V597-R667 VanDerWaalsContact CG2-NH2 3.29Å; E636-R667 PolarHBondContact O-NH2 3.39Å; E636-R667 IonicContact OE2-NH2 2.79Å; F665-R667 HydrophobicContact CD1-CB 4.17Å; F665-R667 HydrophobicContact CE1-CB 3.75Å; F665-R667 HydrophobicContact CE1-CG 4.29Å; R667-V670 HydrophobicContact CG-CG2 3.6Å; R667-E682 WeakPolarHBondContact CD-OE2 3.46Å; R667-E682 IonicContact CZ-OE1 3.63Å; R667-E682 IonicContact NE-OE1 2.75Å; R667-E682 PolarHBondContact NE-OE1 3.16Å; R667-E682 VanDerWaalsContact NE-OE1 3.15Å; R667-E682 IonicContact NE-OE2 3.9Å; R667-E682 PolarHBondContact NE-OE2 2.9Å; R667-E682 IonicContact NH2-OE1 3.72Å; R667-Y703 HydrophobicContact CB-CE1 4.02Å; R667-Y703 HydrophobicContact CG-CE1 4.47Å; R667-Y703 WeakPolarHBondContact CG-OH 3.46Å; R667-I704 PolarHBondContact N-O 3.17Å; R667-V705 HydrophobicContact CB-CG2 4.4Å; R667-V705 CarbonylContact O-C 3.59Å; R667-V705 WeakPolarHBondContact O-CA 3.38Å; R667-V706 PolarHBondContact O-N 2.98Å
668D93.4Very high92.4Very high12 Ų1237.7 Ų37.76%0.06422%0.216CC..EExtended strand (participates in β ladder)trans-82.8138.2-179.2-170.218.6000112.8A595 D596 V670 V706A595-D668 PolarHBondContact O-N 3.19Å; D596-D668 HydrophobicContact CB-CB 4.49Å; D668-V670 PolarHBondContact O-N 3.48Å; D668-V706 WeakPolarHBondContact CA-O 3.48Å
669G79.6Confident92.3Very high39 Ų3931.8 Ų31.840%0.40219%0.191SC..  trans84.312.9156.600000117.4V706G669-V706 PolarHBondContact N-O 2.85Å
670V88.2Confident92.1Very high2 Ų228.8 Ų28.81%0.01218%0.178CC..  trans-71.2129.7179.21740000111.8R667 D668 L675 I678 V705 Q707R667-V670 HydrophobicContact CG-CG2 3.6Å; D668-V670 PolarHBondContact O-N 3.48Å; V670-L675 HydrophobicContact CB-CD2 4.06Å; V670-L675 HydrophobicContact CG1-CD2 3.5Å; V670-L675 HydrophobicContact CG1-CG 4.19Å; V670-I678 HydrophobicContact CB-CD1 4.29Å; V670-I678 HydrophobicContact CG1-CB 4.49Å; V670-I678 HydrophobicContact CG1-CD1 3.53Å; V670-I678 HydrophobicContact CG1-CG1 4.43Å; V670-I678 HydrophobicContact CG2-CD1 3.91Å; V670-I678 HydrophobicContact CG2-CG2 4.27Å; V670-V705 HydrophobicContact CB-CG1 3.98Å; V670-V705 HydrophobicContact CG2-CG1 4.48Å; V670-Q707 PolarHBondContact O-NE2 3.44Å
671P83.4Confident92Very high51 Ų5133.3 Ų33.333%0.33120%0.195SC..  trans-65.8136.7170.3-19.231.9000112.3G673 Q674 L675P671-G673 VanDerWaalsContact C-N 3.29Å; P671-G673 PolarHBondContact O-N 2.71Å; P671-Q674 PolarHBondContact O-N 2.89Å; P671-L675 PolarHBondContact O-N 3.16Å
672E82.8Confident92Very high57 Ų5730.8 Ų30.827%0.26618%0.18SC..G310 helixtrans-52.8-42.9-178-68.9173.5177.600113.7R178 R206 Q674 L675R178-E672 IonicContact NH1-OE2 2.66Å; R206-E672 IonicContact CZ-OE1 3Å; R206-E672 IonicContact CZ-OE2 2.75Å; R206-E672 VanDerWaalsContact NH1-CD 3.27Å; R206-E672 IonicContact NH1-OE1 3.94Å; R206-E672 PolarHBondContact NH1-OE1 2.94Å; R206-E672 IonicContact NH1-OE2 3.76Å; R206-E672 PolarHBondContact NH1-OE2 3.43Å; R206-E672 IonicContact NH2-OE1 2.82Å; R206-E672 PolarHBondContact NH2-OE1 3.22Å; R206-E672 IonicContact NH2-OE2 3.52Å; E672-Q674 PolarHBondContact O-N 2.79Å; E672-L675 HydrophobicContact CB-CD1 4.29Å; E672-L675 HydrophobicContact CG-CD1 4.38Å; E672-L675 WeakPolarHBondContact O-CG 3.28Å; E672-L675 PolarHBondContact O-N 2.83Å; E672-L675 VanDerWaalsContact O-N 3.16Å
673G80.8Confident92Very high81 Ų8128.1 Ų28.184%0.83517%0.17SC*.G310 helixtrans-67.7-4.8179.700000115P671P671-G673 VanDerWaalsContact C-N 3.29Å; P671-G673 PolarHBondContact O-N 2.71Å
674Q85.9Confident91.9Very high74 Ų7431.6 Ų31.635%0.34619%0.188SC..G310 helixtrans-115.5-1.2176.9-62.7-176.720.900112.8P671 E672 Q677 I678P671-Q674 PolarHBondContact O-N 2.89Å; E672-Q674 PolarHBondContact O-N 2.79Å; Q674-Q677 PolarHBondContact O-N 3.13Å; Q674-I678 HydrophobicContact CB-CD1 4.18Å; Q674-I678 HydrophobicContact CB-CG1 4.32Å; Q674-I678 WeakPolarHBondContact O-CG1 3.42Å; Q674-I678 PolarHBondContact O-N 3.4Å
675L88.9Confident91.9Very high18 Ų1832.3 Ų32.39%0.09419%0.194CC..Hα-helixtrans-53.5-48.1-176.2-67.2166.9000113V670 P671 E672 Q677 I678 L679 V705 L767V670-L675 HydrophobicContact CB-CD2 4.06Å; V670-L675 HydrophobicContact CG1-CD2 3.5Å; V670-L675 HydrophobicContact CG1-CG 4.19Å; P671-L675 PolarHBondContact O-N 3.16Å; E672-L675 HydrophobicContact CB-CD1 4.29Å; E672-L675 HydrophobicContact CG-CD1 4.38Å; E672-L675 WeakPolarHBondContact O-CG 3.28Å; E672-L675 PolarHBondContact O-N 2.83Å; E672-L675 VanDerWaalsContact O-N 3.16Å; L675-Q677 PolarHBondContact O-N 2.88Å; L675-I678 PolarHBondContact O-N 2.92Å; L675-L679 WeakPolarHBondContact O-CB 3.07Å; L675-L679 PolarHBondContact O-N 2.75Å; L675-V705 HydrophobicContact CD2-CB 4.15Å; L675-V705 HydrophobicContact CD2-CG1 3.93Å; L675-V705 HydrophobicContact CD2-CG2 3.75Å; L675-L767 HydrophobicContact CB-CD1 4.22Å; L675-L767 HydrophobicContact CD2-CD1 3.97Å
676P89.4Confident91.9Very high49 Ų4932.3 Ų32.332%0.31819%0.194SC..Hα-helixtrans-65.9-39.4-176.6-20.833.9000112.8Q20 H680Q20-P676 HydrophobicContact CG-CB 4.08Å; Q20-P676 VanDerWaalsContact NE2-CG 3.33Å; P676-H680 WeakPolarHBondContact O-CB 3.01Å; P676-H680 PolarHBondContact O-N 2.96Å; P676-H680 VanDerWaalsContact O-N 3.1Å
677Q90.2Very high91.9Very high69 Ų6936.2 Ų36.232%0.32221%0.209SC..Hα-helixtrans-66.5-46178.7-170.4-1775.400110.8I637 Q674 L675 H680 Y681I637-Q677 HydrophobicContact CD1-CG 4.11Å; Q674-Q677 PolarHBondContact O-N 3.13Å; L675-Q677 PolarHBondContact O-N 2.88Å; Q677-H680 PolarHBondContact O-N 2.78Å; Q677-Y681 HydrophobicContact CG-CD2 4.05Å; Q677-Y681 HydrophobicContact CG-CE2 3.82Å; Q677-Y681 WeakPolarHBondContact O-CD2 3.46Å; Q677-Y681 PolarHBondContact O-N 2.76Å
678I93Very high91.9Very high1 Ų138.9 Ų38.91%0.00522%0.223CC..Hα-helixtrans-64.9-45.3179.9-67.8-172.6000110.8E636 I637 V670 Q674 L675 H680 Y681 E682E636-I678 HydrophobicContact CB-CD1 3.75Å; I637-I678 HydrophobicContact CG1-CG1 3.92Å; V670-I678 HydrophobicContact CB-CD1 4.29Å; V670-I678 HydrophobicContact CG1-CB 4.49Å; V670-I678 HydrophobicContact CG1-CD1 3.53Å; V670-I678 HydrophobicContact CG1-CG1 4.43Å; V670-I678 HydrophobicContact CG2-CD1 3.91Å; V670-I678 HydrophobicContact CG2-CG2 4.27Å; Q674-I678 HydrophobicContact CB-CD1 4.18Å; Q674-I678 HydrophobicContact CB-CG1 4.32Å; Q674-I678 WeakPolarHBondContact O-CG1 3.42Å; Q674-I678 PolarHBondContact O-N 3.4Å; L675-I678 PolarHBondContact O-N 2.92Å; I678-H680 VanDerWaalsContact C-N 3.29Å; I678-H680 PolarHBondContact O-N 3.26Å; I678-Y681 PolarHBondContact O-N 3.03Å; I678-E682 VanDerWaalsContact CG2-CD 3.5Å; I678-E682 HydrophobicContact CG2-CG 4Å; I678-E682 WeakPolarHBondContact CG2-OE1 3.14Å; I678-E682 VanDerWaalsContact O-CB 3.28Å; I678-E682 WeakPolarHBondContact O-CB 3.42Å; I678-E682 WeakPolarHBondContact O-CG 3.47Å; I678-E682 PolarHBondContact O-N 2.96Å
679L95.4Very high92.2Very high4 Ų438.3 Ų38.32%0.02122%0.22CC..Hα-helixtrans-53.7-48.8175.6176.664.3000111.2F22 L675 Y681 L683 Y703 L767 W768F22-L679 HydrophobicContact CB-CD2 4Å; F22-L679 HydrophobicContact CB-CG 4.47Å; L675-L679 WeakPolarHBondContact O-CB 3.07Å; L675-L679 PolarHBondContact O-N 2.75Å; L679-Y681 PolarHBondContact O-N 2.87Å; L679-L683 HydrophobicContact CD1-CB 4.18Å; L679-L683 HydrophobicContact CD1-CD2 4.32Å; L679-L683 WeakPolarHBondContact O-CB 3.42Å; L679-L683 PolarHBondContact O-N 3.16Å; L679-Y703 HydrophobicContact CD1-CD1 4.16Å; L679-Y703 HydrophobicContact CD1-CD2 4.35Å; L679-Y703 HydrophobicContact CD1-CG 4.05Å; L679-L767 HydrophobicContact CB-CD1 4.13Å; L679-L767 HydrophobicContact CD1-CB 3.73Å; L679-L767 HydrophobicContact CD1-CD1 4.45Å; L679-L767 HydrophobicContact CD2-CB 3.96Å; L679-L767 WeakPolarHBondContact CD2-O 3.37Å; L679-L767 HydrophobicContact CG-CB 4.29Å; L679-W768 HydrophobicContact CD1-CB 4.23Å
680H94.6Very high93.1Very high33 Ų3336.6 Ų36.615%0.15320%0.202CC..Hα-helixtrans-56.8-54.2-176.3178.584.6000112.4L18 F22 P676 Q677 I678 L684L18-H680 HydrophobicContact CD2-CB 3.69Å; F22-H680 HydrophobicContact CD2-CB 4.49Å; F22-H680 AromaticContact CD2-ND1 3.85Å; F22-H680 AromaticContact CE2-ND1 3.76Å; P676-H680 WeakPolarHBondContact O-CB 3.01Å; P676-H680 PolarHBondContact O-N 2.96Å; P676-H680 VanDerWaalsContact O-N 3.1Å; Q677-H680 PolarHBondContact O-N 2.78Å; I678-H680 VanDerWaalsContact C-N 3.29Å; I678-H680 PolarHBondContact O-N 3.26Å; H680-L684 WeakPolarHBondContact O-CB 3.44Å; H680-L684 WeakPolarHBondContact O-CD1 3.42Å; H680-L684 WeakPolarHBondContact O-CG 3.29Å; H680-L684 PolarHBondContact O-N 3.38Å
681Y95.9Very high93.5Very high99 Ų9939.9 Ų39.939%0.38822%0.218SC..Hα-helixtrans-71.6-41.4-177.6-69.7-72.6000112.4L18 I637 Q677 I678 L679 A685L18-Y681 HydrophobicContact CD1-CE2 4.32Å; I637-Y681 HydrophobicContact CD1-CD2 3.7Å; I637-Y681 HydrophobicContact CD1-CE2 4.19Å; I637-Y681 HydrophobicContact CD1-CG 4.44Å; I637-Y681 HydrophobicContact CG2-CG 4.48Å; Q677-Y681 HydrophobicContact CG-CD2 4.05Å; Q677-Y681 HydrophobicContact CG-CE2 3.82Å; Q677-Y681 WeakPolarHBondContact O-CD2 3.46Å; Q677-Y681 PolarHBondContact O-N 2.76Å; I678-Y681 PolarHBondContact O-N 3.03Å; L679-Y681 PolarHBondContact O-N 2.87Å; Y681-A685 WeakPolarHBondContact O-CB 3.44Å; Y681-A685 PolarHBondContact O-N 2.92Å
682E98.3Very high94.2Very high1 Ų143 Ų431%0.00523%0.227CC..Hα-helixtrans-74.9-38.2-174.8-68.6-167.9-172.500112.7I638 L641 R667 I678 A685 I686 Y703I638-E682 WeakPolarHBondContact CG1-OE1 3.44Å; I638-E682 PolarHBondContact N-OE1 2.78Å; L641-E682 HydrophobicContact CD2-CB 3.47Å; L641-E682 VanDerWaalsContact CD2-CB 3.47Å; L641-E682 HydrophobicContact CD2-CG 3.68Å; R667-E682 WeakPolarHBondContact CD-OE2 3.46Å; R667-E682 IonicContact CZ-OE1 3.63Å; R667-E682 IonicContact NE-OE1 2.75Å; R667-E682 PolarHBondContact NE-OE1 3.16Å; R667-E682 VanDerWaalsContact NE-OE1 3.15Å; R667-E682 IonicContact NE-OE2 3.9Å; R667-E682 PolarHBondContact NE-OE2 2.9Å; R667-E682 IonicContact NH2-OE1 3.72Å; I678-E682 VanDerWaalsContact CG2-CD 3.5Å; I678-E682 HydrophobicContact CG2-CG 4Å; I678-E682 WeakPolarHBondContact CG2-OE1 3.14Å; I678-E682 VanDerWaalsContact O-CB 3.28Å; I678-E682 WeakPolarHBondContact O-CB 3.42Å; I678-E682 WeakPolarHBondContact O-CG 3.47Å; I678-E682 PolarHBondContact O-N 2.96Å; E682-A685 PolarHBondContact O-N 2.83Å; E682-I686 WeakPolarHBondContact O-CG1 3.28Å; E682-I686 PolarHBondContact O-N 3.06Å; E682-Y703 HydrophobicContact CB-CE2 3.92Å; E682-Y703 PolarHBondContact OE2-OH 3.37Å
683L98.1Very high94.9Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-64.1-43.4175.1-178.262.2000111.3F22 L679 A685 I686 R687 I701 W768F22-L683 HydrophobicContact CB-CD2 4.49Å; F22-L683 HydrophobicContact CD1-CD2 3.95Å; F22-L683 HydrophobicContact CD2-CD2 4.25Å; F22-L683 HydrophobicContact CE1-CD2 4.25Å; F22-L683 HydrophobicContact CG-CD2 3.95Å; L679-L683 HydrophobicContact CD1-CB 4.18Å; L679-L683 HydrophobicContact CD1-CD2 4.32Å; L679-L683 WeakPolarHBondContact O-CB 3.42Å; L679-L683 PolarHBondContact O-N 3.16Å; L683-A685 VanDerWaalsContact C-N 3.31Å; L683-A685 PolarHBondContact O-N 3.48Å; L683-I686 PolarHBondContact O-N 3.38Å; L683-R687 PolarHBondContact O-N 3.49Å; L683-I701 HydrophobicContact CD1-CB 4.25Å; L683-I701 HydrophobicContact CD1-CD1 3.93Å; L683-I701 HydrophobicContact CD1-CG2 3.81Å; L683-W768 HydrophobicContact CD1-CG 4.13Å; L683-W768 HydrophobicContact CD2-CB 4.24Å; L683-W768 HydrophobicContact CD2-CD2 3.59Å; L683-W768 HydrophobicContact CD2-CE3 3.98Å; L683-W768 HydrophobicContact CD2-CG 3.69Å
684L98Very high95.7Very high73 Ų7343.7 Ų43.738%0.38221%0.21SC..Hα-helixtrans-60.7-41.1174.2-74.3175.6000111.5F22 H680 I686 R687 D688F22-L684 HydrophobicContact CE2-CD1 4.3Å; F22-L684 HydrophobicContact CE2-CD2 4.02Å; F22-L684 HydrophobicContact CE2-CG 3.86Å; F22-L684 HydrophobicContact CZ-CD2 3.76Å; F22-L684 HydrophobicContact CZ-CG 4.13Å; H680-L684 WeakPolarHBondContact O-CB 3.44Å; H680-L684 WeakPolarHBondContact O-CD1 3.42Å; H680-L684 WeakPolarHBondContact O-CG 3.29Å; H680-L684 PolarHBondContact O-N 3.38Å; L684-I686 PolarHBondContact O-N 3Å; L684-R687 PolarHBondContact O-N 3.19Å; L684-D688 VanDerWaalsContact O-CB 3.26Å; L684-D688 WeakPolarHBondContact O-CB 3.49Å; L684-D688 PolarHBondContact O-N 3.43Å
685A98.6Very high96Very high16 Ų1648.2 Ų48.213%0.13223%0.228CC..Hα-helixtrans-64.8-38.5177.600000112.8L641 S642 Y681 E682 L683 A689L641-A685 HydrophobicContact CB-CB 3.91Å; L641-A685 HydrophobicContact CD2-CB 4.26Å; L641-A685 HydrophobicContact CG-CB 4.24Å; S642-A685 WeakPolarHBondContact CA-O 3.16Å; S642-A685 WeakPolarHBondContact CB-O 3.42Å; Y681-A685 WeakPolarHBondContact O-CB 3.44Å; Y681-A685 PolarHBondContact O-N 2.92Å; E682-A685 PolarHBondContact O-N 2.83Å; L683-A685 VanDerWaalsContact C-N 3.31Å; L683-A685 PolarHBondContact O-N 3.48Å; A685-A689 PolarHBondContact O-N 2.92Å
686I98.8Very high96.4Very high0 Ų053.3 Ų53.30%026%0.256CS..Hα-helixtrans-64.6-44.2174.4-64.3163000110.5L641 V645 I663 F665 E682 L683 L684 A689 C690 I701 Y703L641-I686 HydrophobicContact CD2-CD1 4.41Å; L641-I686 HydrophobicContact CD2-CG1 4.07Å; L641-I686 HydrophobicContact CG-CG1 4.47Å; V645-I686 HydrophobicContact CG1-CG2 4.45Å; V645-I686 HydrophobicContact CG2-CG1 4.16Å; I663-I686 HydrophobicContact CD1-CG2 3.99Å; I663-I686 HydrophobicContact CG2-CG2 4.44Å; F665-I686 HydrophobicContact CB-CD1 4.44Å; F665-I686 HydrophobicContact CD1-CD1 4.27Å; F665-I686 HydrophobicContact CD2-CD1 4.02Å; F665-I686 HydrophobicContact CE1-CD1 4.5Å; F665-I686 HydrophobicContact CE2-CD1 4.32Å; F665-I686 HydrophobicContact CG-CD1 4.01Å; E682-I686 WeakPolarHBondContact O-CG1 3.28Å; E682-I686 PolarHBondContact O-N 3.06Å; L683-I686 PolarHBondContact O-N 3.38Å; L684-I686 PolarHBondContact O-N 3Å; I686-A689 WeakPolarHBondContact O-CB 3.36Å; I686-A689 PolarHBondContact O-N 3.42Å; I686-C690 PolarHBondContact O-N 3.42Å; I686-C690 PolarHBondContact O-SG 2.82Å; I686-I701 HydrophobicContact CB-CD1 4.23Å; I686-I701 HydrophobicContact CG2-CD1 3.59Å; I686-I701 HydrophobicContact CG2-CG1 4.1Å; I686-Y703 HydrophobicContact CD1-CD2 4.16Å; I686-Y703 HydrophobicContact CD1-CE2 4.34Å
687R98.5Very high96.8Very high82 Ų8252.3 Ų52.331%0.30925%0.246SC..Hα-helixtrans-62.9-46.1176.3-72.7-179.5172.9169.50.6111.7F22 L683 L684 A689 C690 I691 I701 D770F22-R687 VanDerWaalsContact CE1-NH1 3.35Å; L683-R687 PolarHBondContact O-N 3.49Å; L684-R687 PolarHBondContact O-N 3.19Å; R687-A689 VanDerWaalsContact C-N 3.3Å; R687-A689 PolarHBondContact O-N 2.67Å; R687-C690 WeakPolarHBondContact O-CB 3.46Å; R687-C690 PolarHBondContact O-N 3.26Å; R687-I691 WeakPolarHBondContact O-CG1 3.27Å; R687-I691 PolarHBondContact O-N 2.6Å; R687-I701 HydrophobicContact CG-CD1 3.66Å; R687-D770 IonicContact NH2-OD1 2.75Å
688D98.5Very high97.2Very high56 Ų5656.3 Ų56.330%0.29926%0.264SS..Hα-helixtrans-57.3-41.3176.2173.871.4000111.9S642 L684 C690 I691 K692S642-D688 VanDerWaalsContact CB-OD2 3.3Å; S642-D688 WeakPolarHBondContact CB-OD2 3.2Å; S642-D688 PolarHBondContact OG-OD2 2.94Å; L684-D688 VanDerWaalsContact O-CB 3.26Å; L684-D688 WeakPolarHBondContact O-CB 3.49Å; L684-D688 PolarHBondContact O-N 3.43Å; D688-C690 VanDerWaalsContact C-N 3.29Å; D688-C690 PolarHBondContact O-N 3.47Å; D688-I691 PolarHBondContact O-N 2.83Å; D688-K692 VanDerWaalsContact CG-NZ 3.29Å; D688-K692 VanDerWaalsContact O-CB 3.31Å; D688-K692 WeakPolarHBondContact O-CB 3.28Å; D688-K692 WeakPolarHBondContact O-CG 3.08Å; D688-K692 PolarHBondContact O-N 2.74Å; D688-K692 WeakPolarHBondContact OD1-CE 3.47Å; D688-K692 IonicContact OD1-NZ 2.76Å; D688-K692 PolarHBondContact OD1-NZ 3.28Å; D688-K692 VanDerWaalsContact OD1-NZ 3.08Å; D688-K692 WeakPolarHBondContact OD2-CD 3.32Å; D688-K692 WeakPolarHBondContact OD2-CE 3.22Å; D688-K692 IonicContact OD2-NZ 3.03Å; D688-K692 PolarHBondContact OD2-NZ 3.32Å
689A98.6Very high97.4Very high0 Ų056.9 Ų56.90%027%0.268CS..Hα-helixtrans-60.1-38.4174.900000112.8S642 V645 R646 A685 I686 R687 L693S642-A689 WeakPolarHBondContact O-CB 3.47Å; V645-A689 HydrophobicContact CB-CB 3.93Å; V645-A689 HydrophobicContact CG1-CB 3.81Å; R646-A689 HydrophobicContact CB-CB 4.25Å; A685-A689 PolarHBondContact O-N 2.92Å; I686-A689 WeakPolarHBondContact O-CB 3.36Å; I686-A689 PolarHBondContact O-N 3.42Å; R687-A689 VanDerWaalsContact C-N 3.3Å; R687-A689 PolarHBondContact O-N 2.67Å; A689-L693 WeakPolarHBondContact O-CG 3.5Å; A689-L693 PolarHBondContact O-N 2.83Å
690C98.6Very high97.6Very high2 Ų257.4 Ų57.41%0.01428%0.275CS..Hα-helixtrans-70.9-48.6178.9-58.70000111.2I686 R687 D688 K692 L693 E694 Y697 P699I686-C690 PolarHBondContact O-N 3.42Å; I686-C690 PolarHBondContact O-SG 2.82Å; R687-C690 WeakPolarHBondContact O-CB 3.46Å; R687-C690 PolarHBondContact O-N 3.26Å; D688-C690 VanDerWaalsContact C-N 3.29Å; D688-C690 PolarHBondContact O-N 3.47Å; C690-K692 VanDerWaalsContact C-N 3.33Å; C690-K692 PolarHBondContact O-N 3.34Å; C690-L693 WeakPolarHBondContact O-CB 3.47Å; C690-L693 PolarHBondContact O-N 2.81Å; C690-E694 PolarHBondContact O-N 3.48Å; C690-E694 VanDerWaalsContact O-N 3.16Å; C690-Y697 HydrophobicContact CB-CD1 3.6Å; C690-Y697 HydrophobicContact CB-CE1 3.89Å; C690-Y697 HydrophobicContact CB-CG 4.48Å; C690-Y697 VanDerWaalsContact CB-O 3.23Å; C690-Y697 WeakPolarHBondContact CB-O 3.14Å; C690-P699 HydrophobicContact CB-CG 4.45Å
691I98.1Very high97.8Very high71 Ų7155.9 Ų55.936%0.36427%0.268SS..Hα-helixtrans-63.3-36.9179.5-61-62.9000112R687 D688 L693 E694 K695 Q698R687-I691 WeakPolarHBondContact O-CG1 3.27Å; R687-I691 PolarHBondContact O-N 2.6Å; D688-I691 PolarHBondContact O-N 2.83Å; I691-L693 PolarHBondContact O-N 2.81Å; I691-E694 WeakPolarHBondContact CA-O 3.26Å; I691-E694 CarbonylContact O-C 3.6Å; I691-E694 VanDerWaalsContact O-C 3.32Å; I691-E694 PolarHBondContact O-N 2.88Å; I691-K695 WeakPolarHBondContact CD1-O 3.34Å; I691-Q698 HydrophobicContact CD1-CG 4.08Å
692K97.8Very high97.9Very high117 Ų11751.2 Ų51.251%0.50925%0.249SC..THydrogen-bonded Turntrans-68.9-18.9175.1-78.7175.2174.9158.70114D688 C690D688-K692 VanDerWaalsContact CG-NZ 3.29Å; D688-K692 VanDerWaalsContact O-CB 3.31Å; D688-K692 WeakPolarHBondContact O-CB 3.28Å; D688-K692 WeakPolarHBondContact O-CG 3.08Å; D688-K692 PolarHBondContact O-N 2.74Å; D688-K692 WeakPolarHBondContact OD1-CE 3.47Å; D688-K692 IonicContact OD1-NZ 2.76Å; D688-K692 PolarHBondContact OD1-NZ 3.28Å; D688-K692 VanDerWaalsContact OD1-NZ 3.08Å; D688-K692 WeakPolarHBondContact OD2-CD 3.32Å; D688-K692 WeakPolarHBondContact OD2-CE 3.22Å; D688-K692 IonicContact OD2-NZ 3.03Å; D688-K692 PolarHBondContact OD2-NZ 3.32Å; C690-K692 VanDerWaalsContact C-N 3.33Å; C690-K692 PolarHBondContact O-N 3.34Å
693L97.3Very high97.9Very high61 Ų6151.1 Ų51.132%0.31925%0.249SC..THydrogen-bonded Turntrans-83.2-41.3172.7-74.1169.1000111.1R646 L649 I650 A689 C690 I691R646-L693 HydrophobicContact CG-CD1 4.33Å; R646-L693 HydrophobicContact CG-CD2 3.8Å; R646-L693 HydrophobicContact CG-CG 4.02Å; L649-L693 HydrophobicContact CB-CD1 3.64Å; L649-L693 HydrophobicContact CD1-CD1 3.66Å; L649-L693 HydrophobicContact CG-CD1 4.32Å; I650-L693 HydrophobicContact CD1-CD2 3.84Å; I650-L693 HydrophobicContact CG1-CD2 3.61Å; A689-L693 WeakPolarHBondContact O-CG 3.5Å; A689-L693 PolarHBondContact O-N 2.83Å; C690-L693 WeakPolarHBondContact O-CB 3.47Å; C690-L693 PolarHBondContact O-N 2.81Å; I691-L693 PolarHBondContact O-N 2.81Å
694E97.6Very high98Very high91 Ų9151.1 Ų51.143%0.42525%0.249SC..  trans-160.5133.5-179.3178.1172.1132.200109.9K659 C690 I691 D696 Y697K659-E694 VanDerWaalsContact NZ-CD 3.35Å; K659-E694 IonicContact NZ-OE1 2.84Å; K659-E694 PolarHBondContact NZ-OE1 3.43Å; K659-E694 IonicContact NZ-OE2 3.83Å; K659-E694 PolarHBondContact NZ-OE2 2.99Å; C690-E694 PolarHBondContact O-N 3.48Å; C690-E694 VanDerWaalsContact O-N 3.16Å; I691-E694 WeakPolarHBondContact CA-O 3.26Å; I691-E694 CarbonylContact O-C 3.6Å; I691-E694 VanDerWaalsContact O-C 3.32Å; I691-E694 PolarHBondContact O-N 2.88Å; E694-D696 PolarHBondContact O-N 3.41Å; E694-Y697 WeakPolarHBondContact O-CB 3.38Å; E694-Y697 PolarHBondContact O-N 3.23Å
695K92.8Very high98Very high169 Ų16947.7 Ų47.774%0.73523%0.231SC*.THydrogen-bonded Turntrans-53.2-34.4-166.2-169.6179.6176.8-1750114.4I691I691-K695 WeakPolarHBondContact CD1-O 3.34Å
696D95.7Very high98Very high125 Ų12547 Ų4767%0.66823%0.225SC*.THydrogen-bonded Turntrans-116.312.7-175.5-55.3-54.1000113E694 Q698E694-D696 PolarHBondContact O-N 3.41Å; D696-Q698 PolarHBondContact O-N 2.86Å
697Y98.3Very high97.8Very high28 Ų2847.7 Ų47.711%0.1123%0.228CC..  trans-76.899178176-123000110.6L649 K659 P660 C690 E694 P699L649-Y697 HydrophobicContact CD1-CE1 4.26Å; K659-Y697 HydrophobicContact CB-CE2 4.29Å; P660-Y697 WeakPolarHBondContact CD-OH 3.46Å; P660-Y697 VanDerWaalsContact O-CE2 3.24Å; P660-Y697 WeakPolarHBondContact O-CE2 3.48Å; P660-Y697 PolarHBondContact O-OH 2.98Å; C690-Y697 HydrophobicContact CB-CD1 3.6Å; C690-Y697 HydrophobicContact CB-CE1 3.89Å; C690-Y697 HydrophobicContact CB-CG 4.48Å; C690-Y697 VanDerWaalsContact CB-O 3.23Å; C690-Y697 WeakPolarHBondContact CB-O 3.14Å; E694-Y697 WeakPolarHBondContact O-CB 3.38Å; E694-Y697 PolarHBondContact O-N 3.23Å; Y697-P699 HydrophobicContact CE1-CG 4.04Å; Y697-P699 HydrophobicContact CE2-CB 4.17Å; Y697-P699 HydrophobicContact CE2-CG 4.06Å; Y697-P699 WeakPolarHBondContact O-CD 3.25Å
698Q97.9Very high97.4Very high153 Ų15346.3 Ų46.372%0.71523%0.225SC*.  trans-124.170.6-175.2-64-179.5-11.300110.9I691 D696I691-Q698 HydrophobicContact CD1-CG 4.08Å; D696-Q698 PolarHBondContact O-N 2.86Å
699P98.4Very high97Very high13 Ų1353.2 Ų53.28%0.08425%0.246CC..PPolyproline II helixtrans-65.7149.1176.630.8-36.1000110.8P660 T661 I663 C690 Y697 I701P660-P699 WeakPolarHBondContact O-CB 2.92Å; T661-P699 WeakPolarHBondContact O-CA 3.18Å; T661-P699 WeakPolarHBondContact O-CB 3.35Å; I663-P699 HydrophobicContact CD1-CB 4.41Å; I663-P699 HydrophobicContact CD1-CG 3.62Å; I663-P699 HydrophobicContact CG1-CB 4.22Å; I663-P699 HydrophobicContact CG1-CG 3.97Å; C690-P699 HydrophobicContact CB-CG 4.45Å; Y697-P699 HydrophobicContact CE1-CG 4.04Å; Y697-P699 HydrophobicContact CE2-CB 4.17Å; Y697-P699 HydrophobicContact CE2-CG 4.06Å; Y697-P699 WeakPolarHBondContact O-CD 3.25Å; P699-I701 PolarHBondContact O-N 2.8Å
700G98.6Very high96.7Very high15 Ų1553.9 Ų53.916%0.15525%0.25CC..EExtended strand (participates in β ladder)trans-67.3125.7175.900000111.3T661 R662 I663 N771T661-G700 PolarHBondContact O-N 3.47Å; R662-G700 CarbonylContact C-O 3.59Å; R662-G700 WeakPolarHBondContact CA-O 3.46Å; I663-G700 PolarHBondContact N-O 3.36Å; G700-N771 PolarHBondContact O-ND2 3.1Å
701I98.9Very high96.5Very high2 Ų256.2 Ų56.21%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-102.2130.9-178.7-58.4165.9000109.9I663 L683 I686 R687 P699 D770I663-I701 HydrophobicContact CB-CG1 4.4Å; I663-I701 WeakPolarHBondContact O-CA 3.35Å; L683-I701 HydrophobicContact CD1-CB 4.25Å; L683-I701 HydrophobicContact CD1-CD1 3.93Å; L683-I701 HydrophobicContact CD1-CG2 3.81Å; I686-I701 HydrophobicContact CB-CD1 4.23Å; I686-I701 HydrophobicContact CG2-CD1 3.59Å; I686-I701 HydrophobicContact CG2-CG1 4.1Å; R687-I701 HydrophobicContact CG-CD1 3.66Å; P699-I701 PolarHBondContact O-N 2.8Å; I701-D770 PolarHBondContact N-OD2 3.1Å; I701-D770 PolarHBondContact O-N 2.9Å
702T98.9Very high96.5Very high0 Ų052.9 Ų52.90%024%0.243CC..EExtended strand (participates in β ladder)trans-115.7115.7165.2-520000108.7I663 F665 I704 V766 W768 D769 N771 F773I663-T702 PolarHBondContact O-N 3.12Å; F665-T702 PolarHBondContact N-O 2.97Å; T702-I704 HydrophobicContact CG2-CD1 4.04Å; T702-I704 HydrophobicContact CG2-CG1 3.93Å; T702-V766 HydrophobicContact CG2-CG1 4.33Å; T702-W768 CarbonylContact C-O 3.57Å; T702-W768 WeakPolarHBondContact CA-O 3.32Å; T702-D769 HydrophobicContact CG2-CB 4.2Å; T702-D769 WeakPolarHBondContact CG2-OD1 3.48Å; T702-D769 PolarHBondContact OG1-OD1 2.99Å; T702-N771 PolarHBondContact OG1-ND2 3.33Å; T702-F773 HydrophobicContact CG2-CD2 3.96Å; T702-F773 HydrophobicContact CG2-CE2 4.13Å; T702-F773 VanDerWaalsContact OG1-CE2 3.31Å; T702-F773 WeakPolarHBondContact OG1-CE2 3.17Å
703Y98.8Very high96.5Very high0 Ų047.3 Ų47.30%022%0.219CC..EExtended strand (participates in β ladder)trans-105.9116.1-176.4-167-69.1000109.9F665 R667 L679 E682 I686 V705 L767 W768F665-Y703 AromaticContact CD1-CD2 3.51Å; F665-Y703 HydrophobicContact CD1-CD2 3.51Å; F665-Y703 HydrophobicContact CD1-CE1 4.35Å; F665-Y703 AromaticContact CD1-CE2 3.33Å; F665-Y703 HydrophobicContact CD1-CE2 3.33Å; F665-Y703 HydrophobicContact CD1-CG 4.11Å; F665-Y703 AromaticContact CD1-CZ 3.8Å; F665-Y703 HydrophobicContact CE1-CD2 4.02Å; F665-Y703 HydrophobicContact CE1-CE1 4.49Å; F665-Y703 AromaticContact CE1-CE2 3.33Å; F665-Y703 HydrophobicContact CE1-CE2 3.33Å; F665-Y703 AromaticContact CE1-CZ 3.61Å; F665-Y703 HydrophobicContact CG-CD2 4.33Å; F665-Y703 HydrophobicContact CG-CE2 4.43Å; F665-Y703 HydrophobicContact CZ-CE2 4.45Å; R667-Y703 HydrophobicContact CB-CE1 4.02Å; R667-Y703 HydrophobicContact CG-CE1 4.47Å; R667-Y703 WeakPolarHBondContact CG-OH 3.46Å; L679-Y703 HydrophobicContact CD1-CD1 4.16Å; L679-Y703 HydrophobicContact CD1-CD2 4.35Å; L679-Y703 HydrophobicContact CD1-CG 4.05Å; E682-Y703 HydrophobicContact CB-CE2 3.92Å; E682-Y703 PolarHBondContact OE2-OH 3.37Å; I686-Y703 HydrophobicContact CD1-CD2 4.16Å; I686-Y703 HydrophobicContact CD1-CE2 4.34Å; Y703-V705 HydrophobicContact CD1-CG2 4.36Å; Y703-V705 HydrophobicContact CE1-CG2 3.77Å; Y703-L767 HydrophobicContact CD1-CB 4.04Å; Y703-L767 HydrophobicContact CD1-CD1 4.2Å; Y703-L767 HydrophobicContact CD1-CG 4.47Å; Y703-L767 HydrophobicContact CE1-CD1 4.09Å; Y703-L767 PolarHBondContact O-N 3.03Å; Y703-W768 PolarHBondContact N-O 2.85Å; Y703-W768 PolarHBondContact O-N 3.1Å
704I98.8Very high96.6Very high0 Ų044.6 Ų44.60%021%0.205CC..EExtended strand (participates in β ladder)trans-125.4117.5-172.6-49.6166.4000109I664 F665 Y666 R667 T702 Y764 Y765 V766 L778I664-I704 HydrophobicContact CG2-CD1 4.14Å; F665-I704 PolarHBondContact O-N 3.21Å; Y666-I704 CarbonylContact C-O 3.56Å; Y666-I704 WeakPolarHBondContact CA-O 3.09Å; Y666-I704 HydrophobicContact CD1-CB 4.03Å; Y666-I704 HydrophobicContact CD1-CD1 4.2Å; Y666-I704 HydrophobicContact CD1-CG2 4.06Å; Y666-I704 HydrophobicContact CE1-CB 4.21Å; Y666-I704 HydrophobicContact CE1-CD1 3.65Å; Y666-I704 HydrophobicContact CE1-CG2 4.06Å; Y666-I704 HydrophobicContact CE2-CD1 4.37Å; R667-I704 PolarHBondContact N-O 3.17Å; T702-I704 HydrophobicContact CG2-CD1 4.04Å; T702-I704 HydrophobicContact CG2-CG1 3.93Å; I704-Y764 HydrophobicContact CG2-CD1 4.1Å; I704-Y765 CarbonylContact C-O 3.58Å; I704-Y765 WeakPolarHBondContact CA-O 3.41Å; I704-V766 HydrophobicContact CG1-CG2 4.48Å; I704-L778 HydrophobicContact CD1-CD1 3.62Å; I704-L778 HydrophobicContact CD1-CD2 4.22Å; I704-L778 HydrophobicContact CD1-CG 4.35Å
705V98.4Very high96.7Very high1 Ų140.4 Ų40.41%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-82.7131.8170175.90000109.4R667 V670 L675 Y703 Q707 Y764 Y765 L767R667-V705 HydrophobicContact CB-CG2 4.4Å; R667-V705 CarbonylContact O-C 3.59Å; R667-V705 WeakPolarHBondContact O-CA 3.38Å; V670-V705 HydrophobicContact CB-CG1 3.98Å; V670-V705 HydrophobicContact CG2-CG1 4.48Å; L675-V705 HydrophobicContact CD2-CB 4.15Å; L675-V705 HydrophobicContact CD2-CG1 3.93Å; L675-V705 HydrophobicContact CD2-CG2 3.75Å; Y703-V705 HydrophobicContact CD1-CG2 4.36Å; Y703-V705 HydrophobicContact CE1-CG2 3.77Å; V705-Q707 HydrophobicContact CG1-CG 3.95Å; V705-Y764 CarbonylContact O-C 3.56Å; V705-Y764 WeakPolarHBondContact O-CA 3.32Å; V705-Y765 PolarHBondContact N-O 3.13Å; V705-Y765 PolarHBondContact O-N 3.22Å; V705-L767 HydrophobicContact CG2-CD1 3.49Å; V705-L767 VanDerWaalsContact CG2-CD1 3.49Å; V705-L767 HydrophobicContact CG2-CG 4.09Å
706V97.9Very high96.9Very high0 Ų032.4 Ų32.40%015%0.151CC..EExtended strand (participates in β ladder)trans-108.3120.3174.5-170.60000108.8Y666 R667 D668 G669 H763 Y764 I798Y666-V706 HydrophobicContact CD1-CG2 3.62Å; Y666-V706 HydrophobicContact CG-CG2 4.36Å; R667-V706 PolarHBondContact O-N 2.98Å; D668-V706 WeakPolarHBondContact CA-O 3.48Å; G669-V706 PolarHBondContact N-O 2.85Å; V706-H763 CarbonylContact C-O 3.57Å; V706-H763 WeakPolarHBondContact CA-O 3.32Å; V706-Y764 HydrophobicContact CB-CD1 4.48Å; V706-Y764 HydrophobicContact CB-CE1 4.33Å; V706-Y764 HydrophobicContact CG1-CD1 4.27Å; V706-Y764 HydrophobicContact CG1-CE1 3.76Å; V706-Y764 HydrophobicContact CG2-CD1 3.81Å; V706-Y764 HydrophobicContact CG2-CE1 3.72Å; V706-I798 HydrophobicContact CG1-CB 4.19Å; V706-I798 HydrophobicContact CG1-CG2 3.63Å
707Q94.7Very high97Very high16 Ų1628.1 Ų28.18%0.07513%0.133CC..EExtended strand (participates in β ladder)trans-117.9109.9176.2-66.1173.7-35.400109.6V670 V705 H710 H763V670-Q707 PolarHBondContact O-NE2 3.44Å; V705-Q707 HydrophobicContact CG1-CG 3.95Å; Q707-H710 PolarHBondContact O-CD2 3.06Å; Q707-H710 PolarHBondContact O-NE2 3.47Å; Q707-H763 HydrophobicContact CB-CB 4.21Å; Q707-H763 PolarHBondContact N-O 3.13Å; Q707-H763 PolarHBondContact O-N 2.83Å; Q707-H763 PolarHBondContact OE1-ND1 3.12Å; Q707-H763 VanDerWaalsContact OE1-ND1 3.12Å
708K91.4Very high97Very high52 Ų5230.3 Ų30.323%0.22615%0.146CC..  trans-90.6-20170-174.1173.9177.6176.20112.9S797 I798K708-S797 WeakPolarHBondContact CE-OG 3.37Å; K708-S797 PolarHBondContact NZ-OG 3.23Å; K708-I798 HydrophobicContact CB-CG2 4.34Å; K708-I798 HydrophobicContact CD-CG2 4.36Å
709R88.7Confident96.8Very high201 Ų20130.9 Ų30.976%0.75815%0.146SC*.SBendtrans-103.177.4-174.6-62.8-173.5-170.1-177.48.3110.8
710H92.8Very high96.7Very high15 Ų1535.6 Ų35.67%0.06918%0.179CC..SBendtrans-136.3179.5171.957.382.3000110.3Q707 T712 R713 Y748 P761Q707-H710 PolarHBondContact O-CD2 3.06Å; Q707-H710 PolarHBondContact O-NE2 3.47Å; H710-T712 PolarHBondContact CE1-O 2.98Å; H710-T712 WeakPolarHBondContact ND1-CB 3.31Å; H710-T712 PolarHBondContact ND1-N 3.05Å; H710-T712 PolarHBondContact ND1-OG1 3.33Å; H710-R713 PolarHBondContact O-NH1 3.32Å; H710-R713 PolarHBondContact O-NH2 3.38Å; H710-Y748 AromaticContact CE1-CE1 4Å; H710-P761 PolarHBondContact CE1-O 3.12Å; H710-P761 PolarHBondContact NE2-O 2.87Å
711H95.5Very high96.6Very high50 Ų5036.9 Ų36.923%0.23118%0.181CC..SBendtrans-106.2-1.3-174.5-69.2-85.8000114.2N42 H202 N215 D217 R713N42-H711 PolarHBondContact ND2-O 2.89Å; H202-H711 HydrophobicContact CB-CB 4.31Å; H202-H711 VanDerWaalsContact CB-ND1 3.3Å; H202-H711 WeakPolarHBondContact CB-ND1 3.49Å; H202-H711 WeakPolarHBondContact CD2-CB 3.4Å; H202-H711 AromaticContact CD2-CD2 3.67Å; H202-H711 AromaticContact CD2-CG 3.28Å; H202-H711 AromaticContact CD2-ND1 3.87Å; H202-H711 AromaticContact CE1-CD2 3.37Å; H202-H711 PolarHBondContact CE1-CD2 3.1Å; H202-H711 AromaticContact CE1-CG 3.84Å; H202-H711 AromaticContact CE1-NE2 3.97Å; H202-H711 AromaticContact CG-CD2 3.39Å; H202-H711 AromaticContact CG-CE1 3.63Å; H202-H711 AromaticContact CG-CG 3.19Å; H202-H711 AromaticContact CG-ND1 3.38Å; H202-H711 AromaticContact CG-NE2 3.7Å; H202-H711 AromaticContact ND1-CD2 3.23Å; H202-H711 PolarHBondContact ND1-CD2 2.75Å; H202-H711 AromaticContact ND1-CE1 3.77Å; H202-H711 AromaticContact ND1-CG 3.6Å; H202-H711 AromaticContact ND1-ND1 3.93Å; H202-H711 AromaticContact ND1-NE2 3.4Å; H202-H711 PolarHBondContact ND1-NE2 3.32Å; H202-H711 AromaticContact NE2-CD2 3.64Å; H202-H711 AromaticContact NE2-CG 3.68Å; N215-H711 PolarHBondContact ND2-O 3.05Å; N215-H711 VanDerWaalsContact OD1-CB 3.31Å; N215-H711 WeakPolarHBondContact OD1-CB 3.45Å; D217-H711 HydrophobicContact CB-CB 4Å; D217-H711 IonicContact OD2-ND1 3.27Å; H711-R713 PolarHBondContact O-N 3.08Å
712T97.8Very high96.6Very high2 Ų240.2 Ų40.21%0.01219%0.194CC..  trans-61.5128.9166.6-39.80000111.7N42 Y43 H710 I739 Y748N42-T712 WeakPolarHBondContact OD1-CA 3.42Å; Y43-T712 HydrophobicContact CD2-CG2 4.4Å; Y43-T712 HydrophobicContact CE2-CG2 3.61Å; Y43-T712 PolarHBondContact OH-OG1 2.84Å; H710-T712 PolarHBondContact CE1-O 2.98Å; H710-T712 WeakPolarHBondContact ND1-CB 3.31Å; H710-T712 PolarHBondContact ND1-N 3.05Å; H710-T712 PolarHBondContact ND1-OG1 3.33Å; T712-I739 HydrophobicContact CG2-CD1 4.09Å; T712-Y748 HydrophobicContact CG2-CD1 4.29Å; T712-Y748 HydrophobicContact CG2-CE1 3.81Å; T712-Y748 HydrophobicContact CG2-CE2 4.25Å; T712-Y748 PolarHBondContact OG1-OH 2.87Å; T712-Y748 VanDerWaalsContact OG1-OH 3.06Å
713R98.3Very high96.5Very high0 Ų042.2 Ų42.20%020%0.204CC..  trans-128.7144.5172.7-60.3-63.3174-93.4-14.7108.2A41 N42 D217 R374 H710 H711 F715A41-R713 WeakPolarHBondContact CA-O 3.42Å; N42-R713 PolarHBondContact N-O 3.06Å; N42-R713 PolarHBondContact OD1-N 3.39Å; N42-R713 PolarHBondContact OD1-O 2.57Å; D217-R713 IonicContact OD2-CZ 4Å; D217-R713 VanDerWaalsContact OD2-CZ 3.32Å; D217-R713 IonicContact OD2-NE 3.22Å; D217-R713 PolarHBondContact OD2-NE 3.4Å; D217-R713 IonicContact OD2-NH2 3.68Å; D217-R713 PolarHBondContact OD2-NH2 2.9Å; R374-R713 VanDerWaalsContact NH1-NE 3.15Å; H710-R713 PolarHBondContact O-NH1 3.32Å; H710-R713 PolarHBondContact O-NH2 3.38Å; H711-R713 PolarHBondContact O-N 3.08Å; R713-F715 HydrophobicContact CB-CE1 4.38Å; R713-F715 HydrophobicContact CB-CE2 3.75Å; R713-F715 HydrophobicContact CB-CZ 3.59Å; R713-F715 HydrophobicContact CG-CZ 4.35Å
714L98.8Very high96.3Very high3 Ų345.2 Ų45.22%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-124.2134.2178.6-65.7174.1000107.7L39 L40 A41 I729 V735 I739 P761L39-L714 HydrophobicContact CD1-CD1 4.4Å; L40-L714 WeakPolarHBondContact O-CA 3.17Å; A41-L714 HydrophobicContact CB-CD2 3.97Å; L714-I729 HydrophobicContact CB-CD1 3.8Å; L714-I729 HydrophobicContact CB-CG2 4.47Å; L714-I729 HydrophobicContact CD1-CD1 4.32Å; L714-V735 HydrophobicContact CD1-CB 4.48Å; L714-V735 HydrophobicContact CD1-CG2 3.8Å; L714-V735 HydrophobicContact CD2-CG2 4.35Å; L714-I739 HydrophobicContact CD2-CD1 3.93Å; L714-P761 HydrophobicContact CD1-CB 4Å; L714-P761 HydrophobicContact CD1-CG 3.92Å; L714-P761 HydrophobicContact CG-CG 4.07Å
715F98.8Very high96Very high3 Ų355.5 Ų55.51%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-126.6147.8-178.3-51.2-80.7000109.3L39 L40 N42 A371 R374 Q375 I378 M404 R713 A717 T758L39-F715 CarbonylContact C-O 3.5Å; L39-F715 WeakPolarHBondContact CA-O 3.39Å; L39-F715 WeakPolarHBondContact CD2-O 3.48Å; L40-F715 HydrophobicContact CB-CB 4.43Å; L40-F715 PolarHBondContact N-O 2.95Å; L40-F715 WeakPolarHBondContact O-CD2 3.45Å; L40-F715 PolarHBondContact O-N 3.47Å; N42-F715 HydrophobicContact CB-CE2 4.31Å; A371-F715 HydrophobicContact CB-CD1 4.12Å; A371-F715 HydrophobicContact CB-CE1 4.42Å; A371-F715 WeakPolarHBondContact O-CD1 3.4Å; A371-F715 WeakPolarHBondContact O-CE1 3.4Å; R374-F715 HydrophobicContact CB-CE1 4.48Å; Q375-F715 HydrophobicContact CB-CD1 3.73Å; Q375-F715 HydrophobicContact CB-CD2 4.21Å; Q375-F715 HydrophobicContact CB-CE1 3.81Å; Q375-F715 HydrophobicContact CB-CE2 4.28Å; Q375-F715 HydrophobicContact CB-CG 3.93Å; Q375-F715 HydrophobicContact CB-CZ 4.09Å; Q375-F715 HydrophobicContact CG-CB 4.35Å; Q375-F715 HydrophobicContact CG-CD1 4.28Å; Q375-F715 HydrophobicContact CG-CD2 3.99Å; Q375-F715 HydrophobicContact CG-CE2 4.34Å; Q375-F715 HydrophobicContact CG-CG 3.95Å; I378-F715 HydrophobicContact CD1-CE2 4.45Å; I378-F715 HydrophobicContact CD1-CZ 4.08Å; M404-F715 HydrophobicContact CE-CD2 4.35Å; M404-F715 HydrophobicContact CE-CE2 3.9Å; M404-F715 HydrophobicContact SD-CD2 3.84Å; M404-F715 HydrophobicContact SD-CE2 3.94Å; R713-F715 HydrophobicContact CB-CE1 4.38Å; R713-F715 HydrophobicContact CB-CE2 3.75Å; R713-F715 HydrophobicContact CB-CZ 3.59Å; R713-F715 HydrophobicContact CG-CZ 4.35Å; F715-A717 PolarHBondContact O-N 3.5Å; F715-T758 HydrophobicContact CD1-CG2 4.42Å; F715-T758 HydrophobicContact CE1-CG2 3.7Å; F715-T758 HydrophobicContact CZ-CG2 4.39Å
716C98.6Very high95.9Very high2 Ų255.9 Ų55.91%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-68.3126171.6-51.50000108.9D718 E721 R722C716-D718 VanDerWaalsContact C-N 3.32Å; C716-D718 VanDerWaalsContact CB-O 3.28Å; C716-D718 WeakPolarHBondContact CB-O 3.49Å; C716-E721 HydrophobicContact CB-CB 4.29Å; C716-E721 PolarHBondContact SG-O 3.41Å; C716-E721 VanDerWaalsContact SG-O 3.38Å; C716-R722 HydrophobicContact CB-CG 3.95Å
717A97.9Very high95.9Very high35 Ų3556.3 Ų56.329%0.28929%0.287SS..SBendtrans-64-44.9170.500000109.6K38 L40 F715K38-A717 HydrophobicContact CB-CB 3.84Å; K38-A717 WeakPolarHBondContact O-CB 3.3Å; K38-A717 PolarHBondContact O-N 2.93Å; L40-A717 HydrophobicContact CG-CB 4.18Å; F715-A717 PolarHBondContact O-N 3.5Å
718D96.4Very high96Very high74 Ų7455.6 Ų55.640%0.39628%0.284SS..SBendtrans-85.7130.3177-64.5-38.5000111.7C716 S720 E721C716-D718 VanDerWaalsContact C-N 3.32Å; C716-D718 VanDerWaalsContact CB-O 3.28Å; C716-D718 WeakPolarHBondContact CB-O 3.49Å; D718-S720 VanDerWaalsContact C-N 3.26Å; D718-S720 PolarHBondContact O-N 3.26Å; D718-E721 HydrophobicContact CB-CG 4.36Å; D718-E721 PolarHBondContact O-N 2.84Å
719K95.1Very high96.4Very high165 Ų16553.3 Ų53.372%0.71727%0.274SS*.G310 helixtrans-64.6-30-179-66.7-178.3-179173.50112.9E721 R722K719-E721 VanDerWaalsContact C-N 3.29Å; K719-E721 PolarHBondContact O-N 3.39Å; K719-R722 WeakPolarHBondContact O-CB 3.24Å; K719-R722 WeakPolarHBondContact O-CG 3.06Å; K719-R722 PolarHBondContact O-N 2.98Å
720S96.3Very high96.8Very high111 Ų11144.8 Ų44.878%0.77624%0.244SC*.G310 helixtrans-69.5-22.8-179.153.20000113.5D718 R722D718-S720 VanDerWaalsContact C-N 3.26Å; D718-S720 PolarHBondContact O-N 3.26Å; S720-R722 VanDerWaalsContact C-N 3.31Å
721E96.9Very high97.1Very high43 Ų4344.4 Ų44.420%0.20124%0.244CC..G310 helixtrans-88.61.7179.4-59.2-146.8149.900113.2K35 I37 C716 D718 K719 I723K35-E721 IonicContact NZ-OE1 3.78Å; K35-E721 PolarHBondContact NZ-OE1 2.7Å; I37-E721 HydrophobicContact CD1-CB 4.49Å; I37-E721 WeakPolarHBondContact CD1-OE2 3.37Å; I37-E721 WeakPolarHBondContact CG1-OE2 3.13Å; C716-E721 HydrophobicContact CB-CB 4.29Å; C716-E721 PolarHBondContact SG-O 3.41Å; C716-E721 VanDerWaalsContact SG-O 3.38Å; D718-E721 HydrophobicContact CB-CG 4.36Å; D718-E721 PolarHBondContact O-N 2.84Å; K719-E721 VanDerWaalsContact C-N 3.29Å; K719-E721 PolarHBondContact O-N 3.39Å; E721-I723 PolarHBondContact O-N 2.8Å
722R97.6Very high97.3Very high71 Ų7142 Ų4227%0.26823%0.233SC..  trans-73.9124.3178.1-65.5175.3-179.2-175.9-4110.3C716 K719 S720C716-R722 HydrophobicContact CB-CG 3.95Å; K719-R722 WeakPolarHBondContact O-CB 3.24Å; K719-R722 WeakPolarHBondContact O-CG 3.06Å; K719-R722 PolarHBondContact O-N 2.98Å; S720-R722 VanDerWaalsContact C-N 3.31Å
723I97.1Very high97.3Very high42 Ų4242 Ų4222%0.21523%0.232CC..BIsolated β-bridgetrans-98.7124.4-175.5-53.9-55.7000111.7E721 G727 N728 P730E721-I723 PolarHBondContact O-N 2.8Å; I723-G727 PolarHBondContact O-N 3.13Å; I723-N728 PolarHBondContact N-O 2.86Å; I723-N728 PolarHBondContact O-N 2.93Å; I723-P730 HydrophobicContact CG1-CB 4.05Å
724G94.2Very high97.3Very high63 Ų6342 Ų4265%0.64923%0.233SC*.THydrogen-bonded Turntrans68.3-175.3172.200000114.6S726 G727G724-S726 PolarHBondContact O-N 2.98Å; G724-G727 PolarHBondContact O-N 3.16Å
725K93.3Very high97.3Very high217 Ų21741.9 Ų41.994%0.94323%0.232SC*.THydrogen-bonded Turntrans-60.1-29-177.7-176.3175.5179.81760113.6G727K725-G727 VanDerWaalsContact C-N 3.3Å
726S95.2Very high97.3Very high8 Ų841.9 Ų41.96%0.05623%0.232CC..THydrogen-bonded Turntrans-79.2-14.6179.5670000113A371 P372 G724 N728 G754A371-S726 PolarHBondContact N-O 3.36Å; P372-S726 WeakPolarHBondContact CD-O 3.42Å; G724-S726 PolarHBondContact O-N 2.98Å; S726-N728 WeakPolarHBondContact CB-ND2 3.37Å; S726-N728 PolarHBondContact O-N 3.35Å; S726-N728 PolarHBondContact OG-ND2 2.75Å; S726-G754 PolarHBondContact OG-O 3.02Å
727G97.8Very high97.2Very high9 Ų943.5 Ų43.59%0.09324%0.242CC..THydrogen-bonded Turntrans64.432.4176.400000115.1I723 G724 K725I723-G727 PolarHBondContact O-N 3.13Å; G724-G727 PolarHBondContact O-N 3.16Å; K725-G727 VanDerWaalsContact C-N 3.3Å
728N98.5Very high97Very high2 Ų243.9 Ų43.91%0.01124%0.242CC..BIsolated β-bridgetrans-82.6166.6-176-81.5-84.8000113.6I723 S726 G757 S759I723-N728 PolarHBondContact N-O 2.86Å; I723-N728 PolarHBondContact O-N 2.93Å; S726-N728 WeakPolarHBondContact CB-ND2 3.37Å; S726-N728 PolarHBondContact O-N 3.35Å; S726-N728 PolarHBondContact OG-ND2 2.75Å; N728-G757 PolarHBondContact ND2-O 2.98Å; N728-S759 VanDerWaalsContact OD1-CB 3.32Å; N728-S759 WeakPolarHBondContact OD1-CB 3.33Å; N728-S759 PolarHBondContact OD1-N 3.33Å; N728-S759 PolarHBondContact OD1-OG 3.19Å
729I98.6Very high97Very high3 Ų340.5 Ų40.52%0.01523%0.225CC..PPolyproline II helixtrans-59.4150.616567.1-171.8000111.6L39 L714 T733 C750L39-I729 HydrophobicContact CD2-CG2 3.68Å; L714-I729 HydrophobicContact CB-CD1 3.8Å; L714-I729 HydrophobicContact CB-CG2 4.47Å; L714-I729 HydrophobicContact CD1-CD1 4.32Å; I729-T733 HydrophobicContact CB-CG2 4.39Å; I729-T733 HydrophobicContact CD1-CG2 4.01Å; I729-C750 HydrophobicContact CD1-CB 3.55Å; I729-C750 HydrophobicContact CG1-CB 4.09Å
730P98.4Very high97.1Very high22 Ų2232.7 Ų32.714%0.14319%0.191CC..PPolyproline II helixtrans-67.6153.117826.5-33.2000112.5I37 V411 I723 G732 T733I37-P730 HydrophobicContact CD1-CG 3.87Å; V411-P730 HydrophobicContact CG1-CB 4.45Å; V411-P730 HydrophobicContact CG1-CG 4.3Å; V411-P730 HydrophobicContact CG2-CG 3.72Å; I723-P730 HydrophobicContact CG1-CB 4.05Å; P730-G732 PolarHBondContact O-N 2.73Å; P730-T733 WeakPolarHBondContact CD-OG1 3.36Å; P730-T733 WeakPolarHBondContact CG-OG1 3.36Å; P730-T733 WeakPolarHBondContact O-CB 3.31Å; P730-T733 PolarHBondContact O-N 3.19Å; P730-T733 PolarHBondContact O-OG1 2.89Å
731A98.5Very high97Very high8 Ų828.7 Ų28.77%0.06616%0.16CC..THydrogen-bonded Turntrans-61.3136171.600000110.2C750 Y783A731-C750 CarbonylContact C-O 3.59Å; A731-C750 WeakPolarHBondContact CA-O 3.38Å; A731-Y783 PolarHBondContact O-OH 3.24Å
732G98.5Very high96.8Very high0 Ų027.6 Ų27.60%016%0.156CC..THydrogen-bonded Turntrans95.1-5.4-175.300000114.1L412 P730 T734 C750 Y783L412-G732 PolarHBondContact N-O 2.92Å; P730-G732 PolarHBondContact O-N 2.73Å; G732-T734 PolarHBondContact O-N 3.29Å; G732-T734 PolarHBondContact O-OG1 3.28Å; G732-C750 PolarHBondContact N-O 2.74Å; G732-Y783 VanDerWaalsContact CA-CZ 3.4Å; G732-Y783 PolarHBondContact N-OH 3.25Å
733T98.9Very high96.5Very high0 Ų025 Ų250%015%0.147CC..EExtended strand (participates in β ladder)trans-58.4121.1174-58.80000110.4I37 L39 R410 I729 P730 C750I37-T733 HydrophobicContact CG2-CG2 4.21Å; L39-T733 HydrophobicContact CD1-CG2 3.59Å; L39-T733 HydrophobicContact CD2-CG2 4.25Å; R410-T733 CarbonylContact O-C 3.55Å; R410-T733 WeakPolarHBondContact O-CA 3.31Å; I729-T733 HydrophobicContact CB-CG2 4.39Å; I729-T733 HydrophobicContact CD1-CG2 4.01Å; P730-T733 WeakPolarHBondContact CD-OG1 3.36Å; P730-T733 WeakPolarHBondContact CG-OG1 3.36Å; P730-T733 WeakPolarHBondContact O-CB 3.31Å; P730-T733 PolarHBondContact O-N 3.19Å; P730-T733 PolarHBondContact O-OG1 2.89Å; T733-C750 PolarHBondContact O-N 3.37Å
734T98.9Very high96.4Very high1 Ų124.2 Ų24.21%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-126.9137-173.7-55.90000109.9G409 R410 L412 G732 F747 Y748 L749 Q779G409-T734 CarbonylContact C-O 3.19Å; G409-T734 WeakPolarHBondContact CA-O 3.35Å; R410-T734 PolarHBondContact N-O 2.99Å; R410-T734 PolarHBondContact O-N 3.44Å; L412-T734 VanDerWaalsContact CD1-OG1 3.3Å; L412-T734 WeakPolarHBondContact CD1-OG1 3.41Å; L412-T734 WeakPolarHBondContact CG-OG1 3.5Å; G732-T734 PolarHBondContact O-N 3.29Å; G732-T734 PolarHBondContact O-OG1 3.28Å; T734-F747 HydrophobicContact CG2-CD2 4.43Å; T734-Y748 CarbonylContact C-O 3.44Å; T734-Y748 VanDerWaalsContact CA-O 3.23Å; T734-Y748 WeakPolarHBondContact CA-O 3.04Å; T734-L749 VanDerWaalsContact OG1-CD1 3.3Å; T734-L749 WeakPolarHBondContact OG1-CD1 3.46Å; T734-Q779 HydrophobicContact CG2-CG 4.14Å
735V98.8Very high96.6Very high0 Ų021.3 Ų21.30%011%0.112CC..EExtended strand (participates in β ladder)trans-134.5117.8178.4175.10000108.8L39 V407 L714 T737 I739 F747 Y748L39-V735 HydrophobicContact CD1-CG2 3.59Å; V407-V735 HydrophobicContact CG1-CG1 3.6Å; V407-V735 HydrophobicContact CG1-CG2 4.4Å; L714-V735 HydrophobicContact CD1-CB 4.48Å; L714-V735 HydrophobicContact CD1-CG2 3.8Å; L714-V735 HydrophobicContact CD2-CG2 4.35Å; V735-T737 WeakPolarHBondContact CG1-O 3.35Å; V735-I739 HydrophobicContact CG1-CD1 4.05Å; V735-I739 HydrophobicContact CG1-CG1 3.85Å; V735-F747 WeakPolarHBondContact O-CA 3.43Å; V735-Y748 PolarHBondContact N-O 3.08Å; V735-Y748 PolarHBondContact O-N 3.21Å
736D98.1Very high96.8Very high4 Ų411.1 Ų11.12%0.0217%0.068CC..  trans-125.510.3176.758.4-22.9000113.4R27 G31 M209 R410 T740 F747 Q779R27-D736 PolarHBondContact NH1-O 3.49Å; G31-D736 PolarHBondContact N-OD2 2.99Å; M209-D736 WeakPolarHBondContact CE-O 3.17Å; R410-D736 IonicContact CZ-OD1 3.66Å; R410-D736 IonicContact NE-OD1 2.69Å; R410-D736 IonicContact NH2-OD1 3.5Å; R410-D736 PolarHBondContact NH2-OD1 3.49Å; R410-D736 IonicContact NH2-OD2 3.57Å; R410-D736 PolarHBondContact NH2-OD2 2.94Å; D736-T740 PolarHBondContact O-OG1 3.4Å; D736-F747 HydrophobicContact CB-CB 3.8Å; D736-Q779 PolarHBondContact OD2-NE2 3.05Å
737T95.9Very high97Very high36 Ų3610.8 Ų10.822%0.2217%0.065CC..SBendtrans-124.8166.6179.761.20000112.1M30 V735 I739 T740M30-T737 HydrophobicContact CE-CG2 4.3Å; M30-T737 HydrophobicContact CG-CG2 4.22Å; M30-T737 HydrophobicContact SD-CG2 3.73Å; V735-T737 WeakPolarHBondContact CG1-O 3.35Å; T737-I739 PolarHBondContact O-N 3.44Å; T737-T740 PolarHBondContact N-OG1 2.96Å
738S94.1Very high97Very high42 Ų4210.4 Ų10.429%0.2946%0.061SC..SBendtrans65.9-61.4171-48.20000115.1A208 M209A208-S738 WeakPolarHBondContact CB-O 3.25Å; M209-S738 PolarHBondContact N-O 3.44Å
739I96.6Very high97.1Very high4 Ų410.3 Ų10.32%0.0216%0.061CC..SBendtrans-101.4-3.2-173.661167000113.9A41 Y43 V407 T712 L714 V735 T737 Y748A41-I739 HydrophobicContact CB-CD1 3.92Å; A41-I739 HydrophobicContact CB-CG2 4.07Å; Y43-I739 HydrophobicContact CD1-CB 3.84Å; Y43-I739 HydrophobicContact CD1-CG2 3.79Å; Y43-I739 HydrophobicContact CE1-CB 3.96Å; Y43-I739 HydrophobicContact CE1-CG2 4.42Å; Y43-I739 HydrophobicContact CG-CB 4.29Å; Y43-I739 HydrophobicContact CG-CG2 3.91Å; V407-I739 HydrophobicContact CG2-CG2 3.82Å; T712-I739 HydrophobicContact CG2-CD1 4.09Å; L714-I739 HydrophobicContact CD2-CD1 3.93Å; V735-I739 HydrophobicContact CG1-CD1 4.05Å; V735-I739 HydrophobicContact CG1-CG1 3.85Å; T737-I739 PolarHBondContact O-N 3.44Å; I739-Y748 HydrophobicContact CD1-CD2 4.26Å; I739-Y748 HydrophobicContact CD1-CE2 4.21Å; I739-Y748 HydrophobicContact CG1-CE2 4.36Å
740T96.7Very high97.1Very high1 Ų110.2 Ų10.21%0.0066%0.06CC..SBendtrans-84.7171.1176.444.90000112R27 A208 M209 D736 T737 D746 Y748R27-T740 PolarHBondContact NH2-OG1 3.4Å; A208-T740 VanDerWaalsContact CA-O 3.31Å; A208-T740 WeakPolarHBondContact CA-O 3.49Å; M209-T740 WeakPolarHBondContact CE-OG1 3.23Å; M209-T740 PolarHBondContact N-O 3.28Å; D736-T740 PolarHBondContact O-OG1 3.4Å; T737-T740 PolarHBondContact N-OG1 2.96Å; T740-D746 WeakPolarHBondContact CA-OD2 3.41Å; T740-D746 WeakPolarHBondContact CB-OD1 3.26Å; T740-D746 WeakPolarHBondContact CB-OD2 3.44Å; T740-Y748 HydrophobicContact CG2-CD2 4.04Å; T740-Y748 HydrophobicContact CG2-CE2 4.14Å
741H94.9Very high97.1Very high26 Ų269.1 Ų9.112%0.125%0.053CC..  trans-54.8139.5-179.3-163.7-96.1000111.3R27 F743 E744 D746 Y765R27-H741 PolarHBondContact NH2-O 3.39Å; H741-F743 VanDerWaalsContact C-N 3.25Å; H741-F743 AromaticContact CE1-CE1 3.98Å; H741-F743 AromaticContact CE1-CE2 3.63Å; H741-F743 AromaticContact CE1-CZ 3.62Å; H741-F743 PolarHBondContact ND1-N 2.92Å; H741-F743 PolarHBondContact O-N 3.2Å; H741-F743 VanDerWaalsContact O-N 3.14Å; H741-E744 HydrophobicContact CB-CB 4.17Å; H741-E744 IonicContact CE1-OE2 3.93Å; H741-E744 VanDerWaalsContact ND1-CB 3.26Å; H741-E744 WeakPolarHBondContact ND1-CB 3.41Å; H741-E744 VanDerWaalsContact ND1-CG 3.33Å; H741-E744 WeakPolarHBondContact ND1-CG 3.45Å; H741-E744 PolarHBondContact ND1-N 3.48Å; H741-D746 VanDerWaalsContact CB-OD1 3.24Å; H741-D746 WeakPolarHBondContact CB-OD1 3.1Å; H741-D746 VanDerWaalsContact N-CG 3.28Å; H741-D746 PolarHBondContact N-OD1 3.49Å; H741-D746 PolarHBondContact N-OD2 3.29Å; H741-Y765 HydrophobicContact CB-CE2 4.48Å; H741-Y765 PolarHBondContact CD2-OH 3.05Å; H741-Y765 VanDerWaalsContact CG-OH 3.23Å
742P92.3Very high97.1Very high21 Ų2110.2 Ų10.214%0.1366%0.057CC..SBendtrans-52.5-38.9-176-23.224.1000114.5L146 V153 P207 A208L146-P742 HydrophobicContact CD2-CB 4.39Å; L146-P742 HydrophobicContact CD2-CG 3.55Å; V153-P742 HydrophobicContact CG2-CG 4.43Å; P207-P742 HydrophobicContact CB-CG 4.08Å; A208-P742 WeakPolarHBondContact O-CG 3.48Å
743F92.4Very high97Very high15 Ų1511.2 Ų11.27%0.0667%0.065CC..SBendtrans-143.5-8.9-174.455.5-104.5000115.7R26 R27 T145 L151 V153 H741R26-F743 CarbonylContact C-O 3.57Å; R26-F743 VanDerWaalsContact CA-O 3.28Å; R26-F743 WeakPolarHBondContact CA-O 3.45Å; R27-F743 PolarHBondContact N-O 3.33Å; T145-F743 HydrophobicContact CG2-CE1 4.34Å; L151-F743 VanDerWaalsContact O-CE1 3.27Å; L151-F743 WeakPolarHBondContact O-CE1 3.45Å; V153-F743 HydrophobicContact CG2-CE1 3.66Å; V153-F743 HydrophobicContact CG2-CZ 3.91Å; H741-F743 VanDerWaalsContact C-N 3.25Å; H741-F743 AromaticContact CE1-CE1 3.98Å; H741-F743 AromaticContact CE1-CE2 3.63Å; H741-F743 AromaticContact CE1-CZ 3.62Å; H741-F743 PolarHBondContact ND1-N 2.92Å; H741-F743 PolarHBondContact O-N 3.2Å; H741-F743 VanDerWaalsContact O-N 3.14Å
744E95Very high96.8Very high26 Ų2611.9 Ų11.912%0.1217%0.072CC..BIsolated β-bridgetrans-89162.9179.4-67.1-178.8176.900109.4A24 R27 H741 D746 Y765A24-E744 HydrophobicContact CB-CG 4.29Å; R27-E744 PolarHBondContact NH2-O 3.38Å; H741-E744 HydrophobicContact CB-CB 4.17Å; H741-E744 IonicContact CE1-OE2 3.93Å; H741-E744 VanDerWaalsContact ND1-CB 3.26Å; H741-E744 WeakPolarHBondContact ND1-CB 3.41Å; H741-E744 VanDerWaalsContact ND1-CG 3.33Å; H741-E744 WeakPolarHBondContact ND1-CG 3.45Å; H741-E744 PolarHBondContact ND1-N 3.48Å; E744-D746 PolarHBondContact O-N 3.43Å; E744-Y765 HydrophobicContact CB-CE1 3.99Å; E744-Y765 WeakPolarHBondContact OE2-CE1 3.44Å; E744-Y765 PolarHBondContact OE2-OH 3.33Å
745F97.6Very high96.5Very high2 Ų217.9 Ų17.91%0.00910%0.103CC..  trans-88.190.7-174.7-170.910.9000112.1P25 R27 P28 F747 V766 A775 L778P25-F745 PolarHBondContact O-N 3.26Å; R27-F745 HydrophobicContact CG-CD1 4.41Å; P28-F745 VanDerWaalsContact CD-CD2 3.47Å; P28-F745 HydrophobicContact CG-CD2 3.97Å; P28-F745 HydrophobicContact CG-CE1 4.4Å; P28-F745 HydrophobicContact CG-CE2 3.67Å; P28-F745 HydrophobicContact CG-CG 4.46Å; P28-F745 HydrophobicContact CG-CZ 3.91Å; F745-F747 HydrophobicContact CE1-CD1 4.28Å; F745-V766 HydrophobicContact CB-CB 4.02Å; F745-V766 HydrophobicContact CB-CG2 4.34Å; F745-V766 HydrophobicContact CD1-CG2 4.29Å; F745-V766 HydrophobicContact CD2-CB 3.81Å; F745-V766 HydrophobicContact CD2-CG1 4.06Å; F745-V766 HydrophobicContact CD2-CG2 3.66Å; F745-V766 HydrophobicContact CE2-CG2 3.97Å; F745-V766 HydrophobicContact CG-CB 3.99Å; F745-V766 HydrophobicContact CG-CG2 3.83Å; F745-V766 HydrophobicContact CZ-CG2 4.4Å; F745-V766 WeakPolarHBondContact O-CB 3.35Å; F745-V766 WeakPolarHBondContact O-CG2 3.32Å; F745-V766 PolarHBondContact O-N 3.18Å; F745-A775 HydrophobicContact CE1-CB 4.27Å; F745-A775 HydrophobicContact CZ-CB 4.46Å; F745-L778 HydrophobicContact CE2-CD2 3.87Å; F745-L778 HydrophobicContact CZ-CB 4.29Å; F745-L778 HydrophobicContact CZ-CD2 3.8Å
746D97.9Very high96Very high4 Ų424.2 Ų24.22%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-132.1153.7175.471.2-39.5000113R27 T740 H741 E744 H763 Y764 Y765R27-D746 IonicContact CZ-OD1 3.25Å; R27-D746 PolarHBondContact NH1-O 3.33Å; R27-D746 IonicContact NH1-OD1 3.97Å; R27-D746 IonicContact NH2-OD1 3.31Å; R27-D746 PolarHBondContact NH2-OD1 3.36Å; T740-D746 WeakPolarHBondContact CA-OD2 3.41Å; T740-D746 WeakPolarHBondContact CB-OD1 3.26Å; T740-D746 WeakPolarHBondContact CB-OD2 3.44Å; H741-D746 VanDerWaalsContact CB-OD1 3.24Å; H741-D746 WeakPolarHBondContact CB-OD1 3.1Å; H741-D746 VanDerWaalsContact N-CG 3.28Å; H741-D746 PolarHBondContact N-OD1 3.49Å; H741-D746 PolarHBondContact N-OD2 3.29Å; E744-D746 PolarHBondContact O-N 3.43Å; D746-H763 IonicContact OD2-CE1 2.77Å; D746-H763 IonicContact OD2-NE2 3.32Å; D746-H763 PolarHBondContact OD2-NE2 3.06Å; D746-Y764 CarbonylContact C-O 3.45Å; D746-Y764 WeakPolarHBondContact CA-O 3.44Å; D746-Y765 HydrophobicContact CB-CD1 4.5Å; D746-Y765 HydrophobicContact CB-CD2 3.61Å; D746-Y765 HydrophobicContact CB-CE2 3.78Å; D746-Y765 HydrophobicContact CB-CG 4.01Å
747F98.8Very high95.8Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-155.5154.8175.561.6-87.6000112.2T734 V735 D736 F745 L749 Y764 L778 Q779T734-F747 HydrophobicContact CG2-CD2 4.43Å; V735-F747 WeakPolarHBondContact O-CA 3.43Å; D736-F747 HydrophobicContact CB-CB 3.8Å; F745-F747 HydrophobicContact CE1-CD1 4.28Å; F747-L749 HydrophobicContact CD2-CB 4.25Å; F747-L749 HydrophobicContact CE2-CB 4.22Å; F747-Y764 AromaticContact CD2-CD2 3.95Å; F747-Y764 HydrophobicContact CD2-CD2 3.95Å; F747-Y764 HydrophobicContact CD2-CG 4.34Å; F747-Y764 HydrophobicContact CE1-CG 4.49Å; F747-Y764 AromaticContact CE2-CD2 3.51Å; F747-Y764 HydrophobicContact CE2-CD2 3.51Å; F747-Y764 HydrophobicContact CE2-CE2 4.31Å; F747-Y764 AromaticContact CE2-CG 3.69Å; F747-Y764 HydrophobicContact CE2-CG 3.69Å; F747-Y764 HydrophobicContact CZ-CD1 4.48Å; F747-Y764 HydrophobicContact CZ-CD2 4.11Å; F747-Y764 AromaticContact CZ-CG 3.78Å; F747-Y764 HydrophobicContact CZ-CG 3.78Å; F747-Y764 PolarHBondContact N-O 3.26Å; F747-Y764 PolarHBondContact O-N 2.92Å; F747-L778 HydrophobicContact CE1-CD2 4.12Å; F747-L778 HydrophobicContact CE1-CG 4.39Å; F747-Q779 HydrophobicContact CD1-CG 4.08Å; F747-Q779 HydrophobicContact CD2-CG 3.77Å; F747-Q779 HydrophobicContact CE1-CG 4.12Å; F747-Q779 HydrophobicContact CE2-CB 4.45Å; F747-Q779 HydrophobicContact CE2-CG 3.81Å; F747-Q779 HydrophobicContact CG-CG 3.91Å; F747-Q779 HydrophobicContact CZ-CG 3.98Å
748Y98.8Very high95.9Very high2 Ų223.8 Ų23.81%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-98.3136.1169.1-65.7-85000109.9Y43 H710 T712 T734 V735 I739 T740 P761 S762 H763Y43-Y748 PolarHBondContact OH-OH 3.08Å; H710-Y748 AromaticContact CE1-CE1 4Å; T712-Y748 HydrophobicContact CG2-CD1 4.29Å; T712-Y748 HydrophobicContact CG2-CE1 3.81Å; T712-Y748 HydrophobicContact CG2-CE2 4.25Å; T712-Y748 PolarHBondContact OG1-OH 2.87Å; T712-Y748 VanDerWaalsContact OG1-OH 3.06Å; T734-Y748 CarbonylContact C-O 3.44Å; T734-Y748 VanDerWaalsContact CA-O 3.23Å; T734-Y748 WeakPolarHBondContact CA-O 3.04Å; V735-Y748 PolarHBondContact N-O 3.08Å; V735-Y748 PolarHBondContact O-N 3.21Å; I739-Y748 HydrophobicContact CD1-CD2 4.26Å; I739-Y748 HydrophobicContact CD1-CE2 4.21Å; I739-Y748 HydrophobicContact CG1-CE2 4.36Å; T740-Y748 HydrophobicContact CG2-CD2 4.04Å; T740-Y748 HydrophobicContact CG2-CE2 4.14Å; Y748-P761 HydrophobicContact CD1-CG 4.47Å; Y748-S762 CarbonylContact C-O 3.52Å; Y748-S762 WeakPolarHBondContact CA-O 3.47Å; Y748-H763 HydrophobicContact CD1-CB 3.76Å; Y748-H763 AromaticContact CD1-CD2 3.84Å; Y748-H763 HydrophobicContact CE1-CB 3.53Å; Y748-H763 AromaticContact CE1-CD2 3.51Å; Y748-H763 AromaticContact CE1-CG 3.6Å; Y748-H763 AromaticContact CE2-CD2 3.84Å; Y748-H763 AromaticContact CZ-CD2 3.49Å; Y748-H763 VanDerWaalsContact CZ-CD2 3.49Å; Y748-H763 AromaticContact CZ-CG 3.91Å; Y748-H763 AromaticContact CZ-NE2 3.88Å
749L98.9Very high96Very high0 Ų022.1 Ų22.10%012%0.122CC..EExtended strand (participates in β ladder)trans-134.4114.1171.816367.2000109.9L412 T734 F747 S751 S762 Y764 T782 Y783L412-L749 HydrophobicContact CD1-CD1 4.26Å; T734-L749 VanDerWaalsContact OG1-CD1 3.3Å; T734-L749 WeakPolarHBondContact OG1-CD1 3.46Å; F747-L749 HydrophobicContact CD2-CB 4.25Å; F747-L749 HydrophobicContact CE2-CB 4.22Å; L749-S751 PolarHBondContact O-N 3.04Å; L749-S762 PolarHBondContact N-O 3.45Å; L749-S762 PolarHBondContact O-N 2.89Å; L749-S762 VanDerWaalsContact O-N 3.08Å; L749-Y764 HydrophobicContact CB-CD2 4.18Å; L749-Y764 HydrophobicContact CB-CE2 3.76Å; L749-Y764 HydrophobicContact CD2-CE2 4.28Å; L749-Y764 HydrophobicContact CG-CE2 4.39Å; L749-T782 HydrophobicContact CD2-CG2 3.92Å; L749-Y783 HydrophobicContact CD1-CD2 4.03Å; L749-Y783 HydrophobicContact CD1-CG 4.3Å; L749-Y783 HydrophobicContact CD2-CD2 4.28Å; L749-Y783 HydrophobicContact CD2-CG 4.44Å
750C98.8Very high96.1Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-85.978.5168.8-164.80000110.2I729 A731 G732 T733 H752 P761I729-C750 HydrophobicContact CD1-CB 3.55Å; I729-C750 HydrophobicContact CG1-CB 4.09Å; A731-C750 CarbonylContact C-O 3.59Å; A731-C750 WeakPolarHBondContact CA-O 3.38Å; G732-C750 PolarHBondContact N-O 2.74Å; T733-C750 PolarHBondContact O-N 3.37Å; C750-H752 PolarHBondContact O-N 2.81Å; C750-P761 HydrophobicContact CB-CB 3.92Å
751S98.7Very high96.1Very high0 Ų026.6 Ų26.60%014%0.138CC..  trans-70.9-9.8-174.756.30000115.2L749 Y783 C786 S795 V796 S797L749-S751 PolarHBondContact O-N 3.04Å; S751-Y783 WeakPolarHBondContact O-CE2 3.47Å; S751-C786 VanDerWaalsContact CB-SG 3.52Å; S751-C786 PolarHBondContact OG-SG 2.95Å; S751-S795 WeakPolarHBondContact O-CB 3.35Å; S751-S795 PolarHBondContact O-OG 2.91Å; S751-V796 WeakPolarHBondContact CB-O 3.38Å; S751-V796 PolarHBondContact OG-O 2.88Å; S751-S797 VanDerWaalsContact OG-C 3.24Å; S751-S797 VanDerWaalsContact OG-CA 3.29Å; S751-S797 WeakPolarHBondContact OG-CA 3.18Å; S751-S797 PolarHBondContact OG-O 2.57Å
752H98.4Very high96.3Very high30 Ų3025.3 Ų25.314%0.13913%0.132CC..SBendtrans-121155.4-167.962.3-67.7000112.2C750 R760 S795 S797C750-H752 PolarHBondContact O-N 2.81Å; H752-R760 PolarHBondContact CE1-O 3.03Å; H752-S795 WeakPolarHBondContact CB-O 3.49Å; H752-S797 WeakPolarHBondContact ND1-CB 3.46Å
753A97.4Very high96.6Very high22 Ų2224.4 Ų24.418%0.18213%0.126CC..  trans-74.7128.6171.300000111.3Q431 I755Q431-A753 WeakPolarHBondContact O-CB 3.27Å; A753-I755 PolarHBondContact O-N 3.42Å; A753-I755 VanDerWaalsContact O-N 3.12Å
754G94.4Very high96.9Very high14 Ų1423.7 Ų23.714%0.14412%0.123CC..  trans-74.893.217600000112.4S726 S759S726-G754 PolarHBondContact OG-O 3.02Å; G754-S759 WeakPolarHBondContact CA-OG 3.34Å
755I91.6Very high97Very high127 Ų12723.2 Ų23.265%0.65112%0.12SC*.  trans-74.3-41.1-178.4-55.3174.7000111.7A753A753-I755 PolarHBondContact O-N 3.42Å; A753-I755 VanDerWaalsContact O-N 3.12Å
756Q89.6Confident97Very high132 Ų13223.1 Ų23.162%0.61712%0.12SC*.SBendtrans-144.5144.6-175.4-178.6-178.1-1200109.6
757G93.9Very high97Very high16 Ų1623.4 Ų23.417%0.16512%0.121CC..SBendtrans71.1-162.1178.300000112.3R369 N728R369-G757 CarbonylContact O-C 3.45Å; R369-G757 WeakPolarHBondContact O-CA 3.48Å; N728-G757 PolarHBondContact ND2-O 2.98Å
758T96.9Very high97Very high16 Ų1625.8 Ų25.810%0.09813%0.13CC..  trans-92.2131.4168.6-37.60000110.6R369 S370 A371 R374 F715R369-T758 PolarHBondContact O-N 3.18Å; R369-T758 PolarHBondContact O-OG1 2.62Å; S370-T758 PolarHBondContact O-OG1 3.5Å; A371-T758 HydrophobicContact CB-CG2 3.9Å; R374-T758 WeakPolarHBondContact CB-OG1 3.29Å; R374-T758 WeakPolarHBondContact CD-OG1 3.23Å; F715-T758 HydrophobicContact CD1-CG2 4.42Å; F715-T758 HydrophobicContact CE1-CG2 3.7Å; F715-T758 HydrophobicContact CZ-CG2 4.39Å
759S97Very high97Very high7 Ų727 Ų275%0.04914%0.137CC..  trans-65.7151.9178.7-56.80000111.1N728 G754N728-S759 VanDerWaalsContact OD1-CB 3.32Å; N728-S759 WeakPolarHBondContact OD1-CB 3.33Å; N728-S759 PolarHBondContact OD1-N 3.33Å; N728-S759 PolarHBondContact OD1-OG 3.19Å; G754-S759 WeakPolarHBondContact CA-OG 3.34Å
760R97.5Very high97Very high98 Ų9830 Ų3037%0.3715%0.153SC..  trans-109.3103.4173.8-63.9-172-179.5-147.8-1.3108.3H752 S762H752-R760 PolarHBondContact CE1-O 3.03Å; R760-S762 PolarHBondContact O-N 3.13Å
761P98.3Very high96.9Very high0 Ų031.7 Ų31.70%016%0.162CC..PPolyproline II helixtrans-68.2118.2178.628.4-33000108.5H710 L714 Y748 C750 H763H710-P761 PolarHBondContact CE1-O 3.12Å; H710-P761 PolarHBondContact NE2-O 2.87Å; L714-P761 HydrophobicContact CD1-CB 4Å; L714-P761 HydrophobicContact CD1-CG 3.92Å; L714-P761 HydrophobicContact CG-CG 4.07Å; Y748-P761 HydrophobicContact CD1-CG 4.47Å; C750-P761 HydrophobicContact CB-CB 3.92Å; P761-H763 PolarHBondContact O-N 3.24Å
762S98.4Very high96.9Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-65.4137-177.1-67.20000110.3Y748 L749 R760 Y764 S797 I798Y748-S762 CarbonylContact C-O 3.52Å; Y748-S762 WeakPolarHBondContact CA-O 3.47Å; L749-S762 PolarHBondContact N-O 3.45Å; L749-S762 PolarHBondContact O-N 2.89Å; L749-S762 VanDerWaalsContact O-N 3.08Å; R760-S762 PolarHBondContact O-N 3.13Å; S762-Y764 WeakPolarHBondContact O-CD2 3.3Å; S762-Y764 WeakPolarHBondContact O-CE2 3.48Å; S762-S797 WeakPolarHBondContact CB-O 3.46Å; S762-S797 PolarHBondContact OG-O 2.93Å; S762-I798 WeakPolarHBondContact OG-CG2 3.44Å
763H98.4Very high96.9Very high1 Ų141 Ų411%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-96.2129.4178.3-175.3-138.8000109.9V706 Q707 D746 Y748 P761 Y765V706-H763 CarbonylContact C-O 3.57Å; V706-H763 WeakPolarHBondContact CA-O 3.32Å; Q707-H763 HydrophobicContact CB-CB 4.21Å; Q707-H763 PolarHBondContact N-O 3.13Å; Q707-H763 PolarHBondContact O-N 2.83Å; Q707-H763 PolarHBondContact OE1-ND1 3.12Å; Q707-H763 VanDerWaalsContact OE1-ND1 3.12Å; D746-H763 IonicContact OD2-CE1 2.77Å; D746-H763 IonicContact OD2-NE2 3.32Å; D746-H763 PolarHBondContact OD2-NE2 3.06Å; Y748-H763 HydrophobicContact CD1-CB 3.76Å; Y748-H763 AromaticContact CD1-CD2 3.84Å; Y748-H763 HydrophobicContact CE1-CB 3.53Å; Y748-H763 AromaticContact CE1-CD2 3.51Å; Y748-H763 AromaticContact CE1-CG 3.6Å; Y748-H763 AromaticContact CE2-CD2 3.84Å; Y748-H763 AromaticContact CZ-CD2 3.49Å; Y748-H763 VanDerWaalsContact CZ-CD2 3.49Å; Y748-H763 AromaticContact CZ-CG 3.91Å; Y748-H763 AromaticContact CZ-NE2 3.88Å; P761-H763 PolarHBondContact O-N 3.24Å; H763-Y765 AromaticContact CE1-CD2 3.61Å
764Y98.6Very high96.9Very high0 Ų043.5 Ų43.50%021%0.209CC..EExtended strand (participates in β ladder)trans-116.1124.3-179.4-62.1-92.6000108.4Y666 I704 V705 V706 D746 F747 L749 S762 T782 P799Y666-Y764 HydrophobicContact CD1-CD1 4.49Å; Y666-Y764 HydrophobicContact CD1-CE1 4.47Å; Y666-Y764 HydrophobicContact CE1-CD1 4.22Å; Y666-Y764 HydrophobicContact CE1-CE1 4.25Å; I704-Y764 HydrophobicContact CG2-CD1 4.1Å; V705-Y764 CarbonylContact O-C 3.56Å; V705-Y764 WeakPolarHBondContact O-CA 3.32Å; V706-Y764 HydrophobicContact CB-CD1 4.48Å; V706-Y764 HydrophobicContact CB-CE1 4.33Å; V706-Y764 HydrophobicContact CG1-CD1 4.27Å; V706-Y764 HydrophobicContact CG1-CE1 3.76Å; V706-Y764 HydrophobicContact CG2-CD1 3.81Å; V706-Y764 HydrophobicContact CG2-CE1 3.72Å; D746-Y764 CarbonylContact C-O 3.45Å; D746-Y764 WeakPolarHBondContact CA-O 3.44Å; F747-Y764 AromaticContact CD2-CD2 3.95Å; F747-Y764 HydrophobicContact CD2-CD2 3.95Å; F747-Y764 HydrophobicContact CD2-CG 4.34Å; F747-Y764 HydrophobicContact CE1-CG 4.49Å; F747-Y764 AromaticContact CE2-CD2 3.51Å; F747-Y764 HydrophobicContact CE2-CD2 3.51Å; F747-Y764 HydrophobicContact CE2-CE2 4.31Å; F747-Y764 AromaticContact CE2-CG 3.69Å; F747-Y764 HydrophobicContact CE2-CG 3.69Å; F747-Y764 HydrophobicContact CZ-CD1 4.48Å; F747-Y764 HydrophobicContact CZ-CD2 4.11Å; F747-Y764 AromaticContact CZ-CG 3.78Å; F747-Y764 HydrophobicContact CZ-CG 3.78Å; F747-Y764 PolarHBondContact N-O 3.26Å; F747-Y764 PolarHBondContact O-N 2.92Å; L749-Y764 HydrophobicContact CB-CD2 4.18Å; L749-Y764 HydrophobicContact CB-CE2 3.76Å; L749-Y764 HydrophobicContact CD2-CE2 4.28Å; L749-Y764 HydrophobicContact CG-CE2 4.39Å; S762-Y764 WeakPolarHBondContact O-CD2 3.3Å; S762-Y764 WeakPolarHBondContact O-CE2 3.48Å; Y764-T782 HydrophobicContact CD1-CG2 3.7Å; Y764-T782 HydrophobicContact CD2-CG2 4.42Å; Y764-T782 HydrophobicContact CE1-CG2 3.22Å; Y764-T782 HydrophobicContact CE2-CG2 4.04Å; Y764-T782 HydrophobicContact CG-CG2 4.27Å; Y764-T782 VanDerWaalsContact CZ-CG2 3.4Å; Y764-P799 HydrophobicContact CE1-CG 3.96Å; Y764-P799 WeakPolarHBondContact OH-CD 3.28Å
765Y97.6Very high97.1Very high17 Ų1743 Ų437%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-121.6115.4-179.6-145.1-68000109.2I704 V705 H741 E744 D746 H763 L767I704-Y765 CarbonylContact C-O 3.58Å; I704-Y765 WeakPolarHBondContact CA-O 3.41Å; V705-Y765 PolarHBondContact N-O 3.13Å; V705-Y765 PolarHBondContact O-N 3.22Å; H741-Y765 HydrophobicContact CB-CE2 4.48Å; H741-Y765 PolarHBondContact CD2-OH 3.05Å; H741-Y765 VanDerWaalsContact CG-OH 3.23Å; E744-Y765 HydrophobicContact CB-CE1 3.99Å; E744-Y765 WeakPolarHBondContact OE2-CE1 3.44Å; E744-Y765 PolarHBondContact OE2-OH 3.33Å; D746-Y765 HydrophobicContact CB-CD1 4.5Å; D746-Y765 HydrophobicContact CB-CD2 3.61Å; D746-Y765 HydrophobicContact CB-CE2 3.78Å; D746-Y765 HydrophobicContact CB-CG 4.01Å; H763-Y765 AromaticContact CE1-CD2 3.61Å; Y765-L767 HydrophobicContact CD1-CD2 3.59Å; Y765-L767 HydrophobicContact CD1-CG 4.45Å; Y765-L767 HydrophobicContact CE1-CD2 4.05Å; Y765-L767 HydrophobicContact CG-CD2 4.46Å; Y765-L767 PolarHBondContact O-N 3.2Å
766V98.4Very high97.4Very high0 Ų038.1 Ų38.10%018%0.179CC..EExtended strand (participates in β ladder)trans-85.2110.4178.8-171.50000107.9P25 T702 I704 F745 D769 L778P25-V766 WeakPolarHBondContact CD-O 3.27Å; P25-V766 HydrophobicContact CG-CB 4.42Å; P25-V766 HydrophobicContact CG-CG1 3.91Å; T702-V766 HydrophobicContact CG2-CG1 4.33Å; I704-V766 HydrophobicContact CG1-CG2 4.48Å; F745-V766 HydrophobicContact CB-CB 4.02Å; F745-V766 HydrophobicContact CB-CG2 4.34Å; F745-V766 HydrophobicContact CD1-CG2 4.29Å; F745-V766 HydrophobicContact CD2-CB 3.81Å; F745-V766 HydrophobicContact CD2-CG1 4.06Å; F745-V766 HydrophobicContact CD2-CG2 3.66Å; F745-V766 HydrophobicContact CE2-CG2 3.97Å; F745-V766 HydrophobicContact CG-CB 3.99Å; F745-V766 HydrophobicContact CG-CG2 3.83Å; F745-V766 HydrophobicContact CZ-CG2 4.4Å; F745-V766 WeakPolarHBondContact O-CB 3.35Å; F745-V766 WeakPolarHBondContact O-CG2 3.32Å; F745-V766 PolarHBondContact O-N 3.18Å; V766-D769 HydrophobicContact CG1-CB 3.97Å; V766-L778 HydrophobicContact CG2-CD2 3.42Å; V766-L778 VanDerWaalsContact CG2-CD2 3.42Å
767L97.4Very high97.9Very high9 Ų934.2 Ų34.25%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-96-17.9-178.5-65.4-174.5000112.7A24 P25 L675 L679 Y703 V705 Y765A24-L767 WeakPolarHBondContact CA-O 2.92Å; A24-L767 HydrophobicContact CB-CD2 4.39Å; P25-L767 VanDerWaalsContact CD-C 3.45Å; P25-L767 WeakPolarHBondContact CD-O 3.49Å; L675-L767 HydrophobicContact CB-CD1 4.22Å; L675-L767 HydrophobicContact CD2-CD1 3.97Å; L679-L767 HydrophobicContact CB-CD1 4.13Å; L679-L767 HydrophobicContact CD1-CB 3.73Å; L679-L767 HydrophobicContact CD1-CD1 4.45Å; L679-L767 HydrophobicContact CD2-CB 3.96Å; L679-L767 WeakPolarHBondContact CD2-O 3.37Å; L679-L767 HydrophobicContact CG-CB 4.29Å; Y703-L767 HydrophobicContact CD1-CB 4.04Å; Y703-L767 HydrophobicContact CD1-CD1 4.2Å; Y703-L767 HydrophobicContact CD1-CG 4.47Å; Y703-L767 HydrophobicContact CE1-CD1 4.09Å; Y703-L767 PolarHBondContact O-N 3.03Å; V705-L767 HydrophobicContact CG2-CD1 3.49Å; V705-L767 VanDerWaalsContact CG2-CD1 3.49Å; V705-L767 HydrophobicContact CG2-CG 4.09Å; Y765-L767 HydrophobicContact CD1-CD2 3.59Å; Y765-L767 HydrophobicContact CD1-CG 4.45Å; Y765-L767 HydrophobicContact CE1-CD2 4.05Å; Y765-L767 HydrophobicContact CG-CD2 4.46Å; Y765-L767 PolarHBondContact O-N 3.2Å
768W98.4Very high98.1Very high50 Ų5033.4 Ų33.419%0.18915%0.152CC..EExtended strand (participates in β ladder)trans-156.1142.3175.3-166-98.9000109.7F22 L679 L683 T702 Y703 D770F22-W768 HydrophobicContact CB-CE3 4.12Å; F22-W768 HydrophobicContact CB-CZ3 3.93Å; F22-W768 HydrophobicContact CD1-CE3 4.36Å; F22-W768 AromaticContact CD1-CH2 3.97Å; F22-W768 HydrophobicContact CD1-CH2 3.97Å; F22-W768 AromaticContact CD1-CZ3 3.8Å; F22-W768 HydrophobicContact CD1-CZ3 3.8Å; F22-W768 HydrophobicContact CG-CZ3 4.32Å; L679-W768 HydrophobicContact CD1-CB 4.23Å; L683-W768 HydrophobicContact CD1-CG 4.13Å; L683-W768 HydrophobicContact CD2-CB 4.24Å; L683-W768 HydrophobicContact CD2-CD2 3.59Å; L683-W768 HydrophobicContact CD2-CE3 3.98Å; L683-W768 HydrophobicContact CD2-CG 3.69Å; T702-W768 CarbonylContact C-O 3.57Å; T702-W768 WeakPolarHBondContact CA-O 3.32Å; Y703-W768 PolarHBondContact N-O 2.85Å; Y703-W768 PolarHBondContact O-N 3.1Å; W768-D770 PolarHBondContact NE1-OD1 2.9Å; W768-D770 PolarHBondContact NE1-OD2 2.88Å; W768-D770 VanDerWaalsContact NE1-OD2 3.1Å
769D98.4Very high98.2Very high27 Ų2732.7 Ų32.714%0.14415%0.148CC..EExtended strand (participates in β ladder)trans-153.493.9176.4-171.724.1000113.3P25 T702 V766 N771 R772 F773P25-D769 HydrophobicContact CG-CB 4.28Å; T702-D769 HydrophobicContact CG2-CB 4.2Å; T702-D769 WeakPolarHBondContact CG2-OD1 3.48Å; T702-D769 PolarHBondContact OG1-OD1 2.99Å; V766-D769 HydrophobicContact CG1-CB 3.97Å; D769-N771 WeakPolarHBondContact OD1-CB 3.3Å; D769-N771 PolarHBondContact OD1-N 3.5Å; D769-R772 PolarHBondContact OD1-N 3.37Å; D769-R772 WeakPolarHBondContact OD2-CA 3.39Å; D769-R772 PolarHBondContact OD2-N 2.91Å; D769-F773 WeakPolarHBondContact OD1-CD2 3.13Å; D769-F773 PolarHBondContact OD2-N 3.17Å
770D98.4Very high98.2Very high65 Ų6534.2 Ų34.235%0.34816%0.155SC..THydrogen-bonded Turntrans-73.2-20.7170.9-60.1-45.5000111.9R687 I701 W768R687-D770 IonicContact NH2-OD1 2.75Å; I701-D770 PolarHBondContact N-OD2 3.1Å; I701-D770 PolarHBondContact O-N 2.9Å; W768-D770 PolarHBondContact NE1-OD1 2.9Å; W768-D770 PolarHBondContact NE1-OD2 2.88Å; W768-D770 VanDerWaalsContact NE1-OD2 3.1Å
771N98.1Very high98.3Very high34 Ų3429.6 Ų29.618%0.18214%0.138CC..THydrogen-bonded Turntrans-87.5-5-171.8-64.3-56.1000113.8R662 G700 T702 D769 F773R662-N771 VanDerWaalsContact CD-OD1 3.29Å; R662-N771 WeakPolarHBondContact CD-OD1 3.4Å; R662-N771 WeakPolarHBondContact CG-OD1 3.41Å; G700-N771 PolarHBondContact O-ND2 3.1Å; T702-N771 PolarHBondContact OG1-ND2 3.33Å; D769-N771 WeakPolarHBondContact OD1-CB 3.3Å; D769-N771 PolarHBondContact OD1-N 3.5Å; N771-F773 HydrophobicContact CB-CD2 3.9Å; N771-F773 HydrophobicContact CB-CE2 3.64Å; N771-F773 PolarHBondContact O-N 3.19Å
772R97.4Very high98.3Very high221 Ų22129.6 Ų29.683%0.83414%0.138SC*.  trans53.647.9174.9-52.5-175-176.8-163.10.7113D769D769-R772 PolarHBondContact OD1-N 3.37Å; D769-R772 WeakPolarHBondContact OD2-CA 3.39Å; D769-R772 PolarHBondContact OD2-N 2.91Å
773F98.4Very high98.3Very high5 Ų529.8 Ų29.82%0.02214%0.138CC..  trans-60.2141.2176.3-80.6-80.6000111.3P28 V585 I664 T702 D769 N771 E777 L778 L781P28-F773 VanDerWaalsContact CG-O 3.31Å; P28-F773 WeakPolarHBondContact CG-O 3.46Å; V585-F773 HydrophobicContact CB-CE1 4.17Å; V585-F773 HydrophobicContact CB-CZ 4.13Å; V585-F773 HydrophobicContact CG2-CE1 4.27Å; V585-F773 HydrophobicContact CG2-CZ 3.72Å; I664-F773 HydrophobicContact CD1-CE2 3.6Å; I664-F773 HydrophobicContact CD1-CZ 3.76Å; T702-F773 HydrophobicContact CG2-CD2 3.96Å; T702-F773 HydrophobicContact CG2-CE2 4.13Å; T702-F773 VanDerWaalsContact OG1-CE2 3.31Å; T702-F773 WeakPolarHBondContact OG1-CE2 3.17Å; D769-F773 WeakPolarHBondContact OD1-CD2 3.13Å; D769-F773 PolarHBondContact OD2-N 3.17Å; N771-F773 HydrophobicContact CB-CD2 3.9Å; N771-F773 HydrophobicContact CB-CE2 3.64Å; N771-F773 PolarHBondContact O-N 3.19Å; F773-E777 HydrophobicContact CD1-CB 4.11Å; F773-E777 HydrophobicContact CD1-CG 3.74Å; F773-E777 HydrophobicContact CE1-CG 3.98Å; F773-L778 HydrophobicContact CB-CB 3.94Å; F773-L778 HydrophobicContact CD1-CB 4.22Å; F773-L778 HydrophobicContact CD1-CD1 4.31Å; F773-L778 HydrophobicContact CD2-CD1 4.22Å; F773-L778 HydrophobicContact CE2-CD1 4.48Å; F773-L778 HydrophobicContact CG-CB 4.16Å; F773-L778 HydrophobicContact CG-CD1 4.12Å; F773-L781 HydrophobicContact CE1-CD2 3.89Å; F773-L781 HydrophobicContact CZ-CD2 3.97Å
774T98.4Very high98.3Very high74 Ų7430.2 Ų30.245%0.45414%0.141SC..  trans-75.6161.8161.468.40000110.2D776 E777 L778T774-D776 PolarHBondContact O-N 3.35Å; T774-E777 PolarHBondContact O-N 2.9Å; T774-E777 VanDerWaalsContact OG1-CB 3.3Å; T774-E777 WeakPolarHBondContact OG1-CB 3.47Å; T774-E777 PolarHBondContact OG1-N 3.47Å; T774-E777 VanDerWaalsContact OG1-N 3.14Å; T774-L778 PolarHBondContact O-N 3.05Å; T774-L778 VanDerWaalsContact O-N 3.13Å
775A98.3Very high98.4Very high3 Ų330.2 Ų30.23%0.02514%0.141CC..Hα-helixtrans-57.6-47.8174.600000111.8G29 F745 Q779G29-A775 WeakPolarHBondContact O-CB 3.43Å; F745-A775 HydrophobicContact CE1-CB 4.27Å; F745-A775 HydrophobicContact CZ-CB 4.46Å; A775-Q779 WeakPolarHBondContact O-CB 3.42Å; A775-Q779 WeakPolarHBondContact O-CG 3.42Å; A775-Q779 PolarHBondContact O-N 3.48Å
776D98.4Very high98.4Very high25 Ų2529.4 Ų29.413%0.13414%0.137CC..Hα-helixtrans-61.2-47.8178.7-79-47.2000112.2G31 T32 V33 R410 T774 L778 Q779 I780G31-D776 WeakPolarHBondContact CA-OD1 3.36Å; T32-D776 PolarHBondContact N-OD1 3.38Å; T32-D776 PolarHBondContact N-OD2 3.32Å; T32-D776 PolarHBondContact OG1-OD2 3.44Å; V33-D776 WeakPolarHBondContact CB-OD1 3.05Å; V33-D776 HydrophobicContact CG2-CB 4.18Å; V33-D776 PolarHBondContact N-OD1 2.98Å; R410-D776 IonicContact NH1-OD1 2.89Å; T774-D776 PolarHBondContact O-N 3.35Å; D776-L778 PolarHBondContact O-N 2.87Å; D776-Q779 PolarHBondContact O-N 2.76Å; D776-I780 HydrophobicContact CB-CD1 4.5Å; D776-I780 VanDerWaalsContact O-CB 3.31Å; D776-I780 WeakPolarHBondContact O-CB 3.35Å; D776-I780 WeakPolarHBondContact O-CD1 3.5Å; D776-I780 WeakPolarHBondContact O-CG1 3.47Å; D776-I780 PolarHBondContact O-N 3.49Å
777E98.2Very high98.4Very high50 Ų5029.5 Ų29.523%0.23414%0.138CC..Hα-helixtrans-60.9-46.4-177.3-172.8175.3-166.300111.4S583 A584 V585 F773 T774 L781S583-E777 WeakPolarHBondContact OG-CG 3.4Å; S583-E777 PolarHBondContact OG-OE1 2.82Å; A584-E777 PolarHBondContact N-OE1 3.37Å; V585-E777 PolarHBondContact N-OE1 2.94Å; F773-E777 HydrophobicContact CD1-CB 4.11Å; F773-E777 HydrophobicContact CD1-CG 3.74Å; F773-E777 HydrophobicContact CE1-CG 3.98Å; T774-E777 PolarHBondContact O-N 2.9Å; T774-E777 VanDerWaalsContact OG1-CB 3.3Å; T774-E777 WeakPolarHBondContact OG1-CB 3.47Å; T774-E777 PolarHBondContact OG1-N 3.47Å; T774-E777 VanDerWaalsContact OG1-N 3.14Å; E777-L781 WeakPolarHBondContact O-CB 3.47Å; E777-L781 PolarHBondContact O-N 2.68Å
778L98.6Very high98.5Very high0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-71.5-38.2-178.3-171.965.7000112.7I704 F745 F747 V766 F773 T774 D776 L781 T782I704-L778 HydrophobicContact CD1-CD1 3.62Å; I704-L778 HydrophobicContact CD1-CD2 4.22Å; I704-L778 HydrophobicContact CD1-CG 4.35Å; F745-L778 HydrophobicContact CE2-CD2 3.87Å; F745-L778 HydrophobicContact CZ-CB 4.29Å; F745-L778 HydrophobicContact CZ-CD2 3.8Å; F747-L778 HydrophobicContact CE1-CD2 4.12Å; F747-L778 HydrophobicContact CE1-CG 4.39Å; V766-L778 HydrophobicContact CG2-CD2 3.42Å; V766-L778 VanDerWaalsContact CG2-CD2 3.42Å; F773-L778 HydrophobicContact CB-CB 3.94Å; F773-L778 HydrophobicContact CD1-CB 4.22Å; F773-L778 HydrophobicContact CD1-CD1 4.31Å; F773-L778 HydrophobicContact CD2-CD1 4.22Å; F773-L778 HydrophobicContact CE2-CD1 4.48Å; F773-L778 HydrophobicContact CG-CB 4.16Å; F773-L778 HydrophobicContact CG-CD1 4.12Å; T774-L778 PolarHBondContact O-N 3.05Å; T774-L778 VanDerWaalsContact O-N 3.13Å; D776-L778 PolarHBondContact O-N 2.87Å; L778-L781 HydrophobicContact CD1-CD2 4.42Å; L778-T782 VanDerWaalsContact O-CB 3.24Å; L778-T782 WeakPolarHBondContact O-CB 3.47Å; L778-T782 PolarHBondContact O-N 2.85Å; L778-T782 PolarHBondContact O-OG1 2.9Å
779Q98.8Very high98.5Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-64.9-45.3177.2-72.3164.713.300111.1L412 T734 D736 F747 A775 D776 T782 Y783L412-Q779 HydrophobicContact CD1-CB 4.12Å; T734-Q779 HydrophobicContact CG2-CG 4.14Å; D736-Q779 PolarHBondContact OD2-NE2 3.05Å; F747-Q779 HydrophobicContact CD1-CG 4.08Å; F747-Q779 HydrophobicContact CD2-CG 3.77Å; F747-Q779 HydrophobicContact CE1-CG 4.12Å; F747-Q779 HydrophobicContact CE2-CB 4.45Å; F747-Q779 HydrophobicContact CE2-CG 3.81Å; F747-Q779 HydrophobicContact CG-CG 3.91Å; F747-Q779 HydrophobicContact CZ-CG 3.98Å; A775-Q779 WeakPolarHBondContact O-CB 3.42Å; A775-Q779 WeakPolarHBondContact O-CG 3.42Å; A775-Q779 PolarHBondContact O-N 3.48Å; D776-Q779 PolarHBondContact O-N 2.76Å; Q779-T782 PolarHBondContact O-N 3.15Å; Q779-Y783 WeakPolarHBondContact O-CB 3.47Å; Q779-Y783 PolarHBondContact O-N 2.74Å
780I98.6Very high98.4Very high40 Ų4027 Ų2721%0.20513%0.128CC..Hα-helixtrans-63.7-49.4175.9-67.9166.4000110.1V33 L412 D776 T782 Y783 Q784V33-I780 HydrophobicContact CB-CD1 4.2Å; V33-I780 HydrophobicContact CG1-CD1 4.03Å; V33-I780 HydrophobicContact CG2-CD1 4.27Å; L412-I780 HydrophobicContact CD2-CG1 4.43Å; D776-I780 HydrophobicContact CB-CD1 4.5Å; D776-I780 VanDerWaalsContact O-CB 3.31Å; D776-I780 WeakPolarHBondContact O-CB 3.35Å; D776-I780 WeakPolarHBondContact O-CD1 3.5Å; D776-I780 WeakPolarHBondContact O-CG1 3.47Å; D776-I780 PolarHBondContact O-N 3.49Å; I780-T782 VanDerWaalsContact C-N 3.29Å; I780-T782 PolarHBondContact O-N 2.83Å; I780-Y783 CarbonylContact O-C 3.58Å; I780-Y783 PolarHBondContact O-N 3.13Å; I780-Y783 VanDerWaalsContact O-N 3.09Å; I780-Q784 HydrophobicContact CG2-CG 4.16Å; I780-Q784 VanDerWaalsContact O-CG 3.29Å; I780-Q784 WeakPolarHBondContact O-CG 3.44Å; I780-Q784 PolarHBondContact O-N 3.41Å
781L98.6Very high98.4Very high0 Ų027.8 Ų27.80%013%0.126CC..Hα-helixtrans-54.7-47.6177.8175.262.3000111.4V585 F586 F592 F773 E777 L778 Y783 Q784 L785V585-L781 HydrophobicContact CG1-CD1 4.17Å; V585-L781 HydrophobicContact CG1-CD2 4.12Å; F586-L781 HydrophobicContact CE2-CD1 3.55Å; F586-L781 HydrophobicContact CZ-CD1 3.96Å; F592-L781 HydrophobicContact CE1-CD1 3.87Å; F592-L781 HydrophobicContact CE1-CD2 4.13Å; F592-L781 HydrophobicContact CE1-CG 4.33Å; F592-L781 HydrophobicContact CZ-CD1 4Å; F773-L781 HydrophobicContact CE1-CD2 3.89Å; F773-L781 HydrophobicContact CZ-CD2 3.97Å; E777-L781 WeakPolarHBondContact O-CB 3.47Å; E777-L781 PolarHBondContact O-N 2.68Å; L778-L781 HydrophobicContact CD1-CD2 4.42Å; L781-Y783 VanDerWaalsContact C-N 3.33Å; L781-Y783 PolarHBondContact O-N 3.41Å; L781-Q784 PolarHBondContact O-N 2.86Å; L781-L785 HydrophobicContact CD1-CD1 4.41Å; L781-L785 HydrophobicContact CD1-CG 4.45Å; L781-L785 HydrophobicContact CG-CD1 4.39Å; L781-L785 WeakPolarHBondContact O-CG 3.44Å; L781-L785 PolarHBondContact O-N 2.97Å
782T98.8Very high98.3Very high0 Ų027.5 Ų27.50%013%0.126CC..Hα-helixtrans-60.2-43.4177.8-60.30000111.2Y666 L749 Y764 L778 Q779 I780 L785 C786 P799Y666-T782 HydrophobicContact CE1-CG2 4.09Å; Y666-T782 PolarHBondContact OH-OG1 2.94Å; L749-T782 HydrophobicContact CD2-CG2 3.92Å; Y764-T782 HydrophobicContact CD1-CG2 3.7Å; Y764-T782 HydrophobicContact CD2-CG2 4.42Å; Y764-T782 HydrophobicContact CE1-CG2 3.22Å; Y764-T782 HydrophobicContact CE2-CG2 4.04Å; Y764-T782 HydrophobicContact CG-CG2 4.27Å; Y764-T782 VanDerWaalsContact CZ-CG2 3.4Å; L778-T782 VanDerWaalsContact O-CB 3.24Å; L778-T782 WeakPolarHBondContact O-CB 3.47Å; L778-T782 PolarHBondContact O-N 2.85Å; L778-T782 PolarHBondContact O-OG1 2.9Å; Q779-T782 PolarHBondContact O-N 3.15Å; I780-T782 VanDerWaalsContact C-N 3.29Å; I780-T782 PolarHBondContact O-N 2.83Å; T782-L785 PolarHBondContact O-N 3.41Å; T782-C786 PolarHBondContact O-N 3.03Å; T782-C786 PolarHBondContact O-SG 3.06Å; T782-P799 HydrophobicContact CG2-CG 3.92Å
783Y98.8Very high98.4Very high4 Ų417.6 Ų17.62%0.0169%0.09CC..Hα-helixtrans-67.4-38.1177.3-170.6-140.3000112.5L412 A414 A731 G732 L749 S751 Q779 I780 L781 L785 C786 H787L412-Y783 HydrophobicContact CB-CD1 3.71Å; L412-Y783 HydrophobicContact CB-CE1 4.04Å; L412-Y783 HydrophobicContact CD1-CD1 4.32Å; L412-Y783 HydrophobicContact CD1-CG 4.41Å; A414-Y783 HydrophobicContact CB-CE1 4.26Å; A731-Y783 PolarHBondContact O-OH 3.24Å; G732-Y783 VanDerWaalsContact CA-CZ 3.4Å; G732-Y783 PolarHBondContact N-OH 3.25Å; L749-Y783 HydrophobicContact CD1-CD2 4.03Å; L749-Y783 HydrophobicContact CD1-CG 4.3Å; L749-Y783 HydrophobicContact CD2-CD2 4.28Å; L749-Y783 HydrophobicContact CD2-CG 4.44Å; S751-Y783 WeakPolarHBondContact O-CE2 3.47Å; Q779-Y783 WeakPolarHBondContact O-CB 3.47Å; Q779-Y783 PolarHBondContact O-N 2.74Å; I780-Y783 CarbonylContact O-C 3.58Å; I780-Y783 PolarHBondContact O-N 3.13Å; I780-Y783 VanDerWaalsContact O-N 3.09Å; L781-Y783 VanDerWaalsContact C-N 3.33Å; L781-Y783 PolarHBondContact O-N 3.41Å; Y783-L785 PolarHBondContact O-N 2.93Å; Y783-C786 VanDerWaalsContact O-CB 3.3Å; Y783-C786 WeakPolarHBondContact O-CB 3.32Å; Y783-C786 PolarHBondContact O-N 2.9Å; Y783-C786 VanDerWaalsContact O-N 3.12Å; Y783-H787 AromaticContact CD2-CE1 3.83Å; Y783-H787 AromaticContact CE1-CE1 3.96Å; Y783-H787 AromaticContact CE2-CE1 3.46Å; Y783-H787 VanDerWaalsContact CE2-CE1 3.46Å; Y783-H787 WeakPolarHBondContact CE2-CE1 3.3Å; Y783-H787 AromaticContact CZ-CE1 3.53Å; Y783-H787 PolarHBondContact O-CE1 2.93Å; Y783-H787 PolarHBondContact O-ND1 3.06Å
784Q98.5Very high98.3Very high11 Ų1121 Ų215%0.05110%0.103CC..Hα-helixtrans-62.1-43.3175.4-70.5-174.7-16.200111.7P415 L577 Q581 I780 L781 C786 H787P415-Q784 HydrophobicContact CB-CG 4Å; P415-Q784 HydrophobicContact CG-CB 4.44Å; P415-Q784 HydrophobicContact CG-CG 4.11Å; L577-Q784 HydrophobicContact CD1-CB 3.92Å; L577-Q784 HydrophobicContact CD2-CB 4.23Å; Q581-Q784 PolarHBondContact O-NE2 3.25Å; I780-Q784 HydrophobicContact CG2-CG 4.16Å; I780-Q784 VanDerWaalsContact O-CG 3.29Å; I780-Q784 WeakPolarHBondContact O-CG 3.44Å; I780-Q784 PolarHBondContact O-N 3.41Å; L781-Q784 PolarHBondContact O-N 2.86Å; Q784-C786 PolarHBondContact O-N 3.12Å; Q784-H787 WeakPolarHBondContact O-CB 3.4Å; Q784-H787 PolarHBondContact O-N 2.9Å
785L98.7Very high98.3Very high0 Ų017.7 Ų17.70%08%0.082CC..Hα-helixtrans-65.6-17.1176-66.1173.8000113.5F592 P621 Y666 L781 T782 Y783 H787 T788 P799 A800F592-L785 HydrophobicContact CD1-CD1 3.69Å; F592-L785 HydrophobicContact CD1-CD2 4.3Å; F592-L785 HydrophobicContact CE1-CD1 3.93Å; F592-L785 HydrophobicContact CE1-CD2 4.47Å; F592-L785 HydrophobicContact CG-CD1 4.49Å; F592-L785 HydrophobicContact CG-CD2 4.44Å; P621-L785 HydrophobicContact CG-CD2 3.8Å; Y666-L785 HydrophobicContact CD2-CD1 4.45Å; Y666-L785 HydrophobicContact CE2-CD1 3.51Å; L781-L785 HydrophobicContact CD1-CD1 4.41Å; L781-L785 HydrophobicContact CD1-CG 4.45Å; L781-L785 HydrophobicContact CG-CD1 4.39Å; L781-L785 WeakPolarHBondContact O-CG 3.44Å; L781-L785 PolarHBondContact O-N 2.97Å; T782-L785 PolarHBondContact O-N 3.41Å; Y783-L785 PolarHBondContact O-N 2.93Å; L785-H787 PolarHBondContact O-N 3.49Å; L785-T788 PolarHBondContact O-OG1 3.39Å; L785-T788 VanDerWaalsContact O-OG1 3.07Å; L785-P799 HydrophobicContact CB-CB 3.86Å; L785-A800 WeakPolarHBondContact O-CB 3.48Å; L785-A800 PolarHBondContact O-N 3.28Å
786C98.7Very high98.3Very high0 Ų018.2 Ų18.20%09%0.086CC..THydrogen-bonded Turntrans-73.3-14.7169.5-67.90000113.5S751 T782 Y783 Q784 S795 V796 I798S751-C786 VanDerWaalsContact CB-SG 3.52Å; S751-C786 PolarHBondContact OG-SG 2.95Å; T782-C786 PolarHBondContact O-N 3.03Å; T782-C786 PolarHBondContact O-SG 3.06Å; Y783-C786 VanDerWaalsContact O-CB 3.3Å; Y783-C786 WeakPolarHBondContact O-CB 3.32Å; Y783-C786 PolarHBondContact O-N 2.9Å; Y783-C786 VanDerWaalsContact O-N 3.12Å; Q784-C786 PolarHBondContact O-N 3.12Å; C786-S795 WeakPolarHBondContact O-CA 3.32Å; C786-V796 VanDerWaalsContact CB-O 3.29Å; C786-V796 WeakPolarHBondContact CB-O 3.4Å; C786-V796 VanDerWaalsContact O-CG2 3.28Å; C786-V796 WeakPolarHBondContact O-CG2 3.24Å; C786-V796 PolarHBondContact O-N 3.27Å; C786-V796 PolarHBondContact SG-O 3.45Å; C786-I798 VanDerWaalsContact SG-C 3.51Å
787H98.6Very high98.3Very high1 Ų117.3 Ų17.31%0.0058%0.081CC..THydrogen-bonded Turntrans-98.2-10179.4-63.675.5000113.4P415 L417 W434 Y783 Q784 L785 Y789 S795P415-H787 HydrophobicContact CG-CB 3.9Å; L417-H787 HydrophobicContact CD2-CB 4.23Å; W434-H787 HydrophobicContact CH2-CB 4.27Å; W434-H787 AromaticContact CZ3-CD2 3.68Å; Y783-H787 AromaticContact CD2-CE1 3.83Å; Y783-H787 AromaticContact CE1-CE1 3.96Å; Y783-H787 AromaticContact CE2-CE1 3.46Å; Y783-H787 VanDerWaalsContact CE2-CE1 3.46Å; Y783-H787 WeakPolarHBondContact CE2-CE1 3.3Å; Y783-H787 AromaticContact CZ-CE1 3.53Å; Y783-H787 PolarHBondContact O-CE1 2.93Å; Y783-H787 PolarHBondContact O-ND1 3.06Å; Q784-H787 WeakPolarHBondContact O-CB 3.4Å; Q784-H787 PolarHBondContact O-N 2.9Å; L785-H787 PolarHBondContact O-N 3.49Å; H787-Y789 VanDerWaalsContact C-N 3.29Å; H787-Y789 PolarHBondContact O-N 2.84Å; H787-S795 PolarHBondContact CE1-OG 3.16Å; H787-S795 WeakPolarHBondContact NE2-CB 3.35Å
788T98.4Very high98.3Very high9 Ų915 Ų156%0.0557%0.07CC..  trans-873.5-179.761.30000113.3L577 L785 V790 A800 Y804L577-T788 HydrophobicContact CD1-CG2 3.81Å; L577-T788 HydrophobicContact CD2-CG2 4.04Å; L577-T788 HydrophobicContact CG-CG2 3.74Å; L785-T788 PolarHBondContact O-OG1 3.39Å; L785-T788 VanDerWaalsContact O-OG1 3.07Å; T788-V790 PolarHBondContact O-N 2.84Å; T788-V790 VanDerWaalsContact O-N 3.12Å; T788-A800 VanDerWaalsContact OG1-CB 3.29Å; T788-A800 WeakPolarHBondContact OG1-CB 3.42Å; T788-Y804 PolarHBondContact O-OH 2.92Å
789Y98.5Very high98.3Very high19 Ų1915 Ų158%0.0757%0.07CC..  trans-74.5104.6-179.1-178.1-108.4000112.4H787 R791 V796 Y803 Y804 L807H787-Y789 VanDerWaalsContact C-N 3.29Å; H787-Y789 PolarHBondContact O-N 2.84Å; Y789-R791 VanDerWaalsContact C-N 3.28Å; Y789-R791 HydrophobicContact CD1-CB 4.2Å; Y789-R791 HydrophobicContact CE1-CB 3.6Å; Y789-R791 HydrophobicContact CE1-CG 4.24Å; Y789-R791 HydrophobicContact CE2-CG 4.49Å; Y789-R791 PolarHBondContact O-N 2.83Å; Y789-R791 WeakPolarHBondContact OH-CD 3.38Å; Y789-V796 HydrophobicContact CD1-CB 4.46Å; Y789-V796 HydrophobicContact CD1-CG1 3.43Å; Y789-V796 VanDerWaalsContact CD1-CG1 3.43Å; Y789-V796 HydrophobicContact CD1-CG2 4.31Å; Y789-V796 HydrophobicContact CE1-CG1 3.95Å; Y789-V796 HydrophobicContact CG-CG1 3.99Å; Y789-V796 HydrophobicContact CG-CG2 4Å; Y789-Y803 HydrophobicContact CD2-CG 4.4Å; Y789-Y803 HydrophobicContact CE2-CD1 4.2Å; Y789-Y803 HydrophobicContact CE2-CG 4.04Å; Y789-Y804 HydrophobicContact CD2-CD1 4.01Å; Y789-Y804 AromaticContact CD2-CE1 3.37Å; Y789-Y804 HydrophobicContact CD2-CE1 3.37Å; Y789-Y804 AromaticContact CD2-CZ 3.84Å; Y789-Y804 AromaticContact CE2-CD1 3.86Å; Y789-Y804 HydrophobicContact CE2-CD1 3.86Å; Y789-Y804 AromaticContact CE2-CE1 3.52Å; Y789-Y804 HydrophobicContact CE2-CE1 3.52Å; Y789-L807 HydrophobicContact CE2-CD1 4.24Å
790V97.9Very high98.3Very high7 Ų715 Ų154%0.0427%0.07CC..THydrogen-bonded Turntrans-62.4-13.4-169.7-600000118.2L564 V568 N574 T788 Y804 M855L564-V790 WeakPolarHBondContact CB-O 3.45Å; V568-V790 HydrophobicContact CB-CG2 4.39Å; V568-V790 HydrophobicContact CG1-CG2 4.05Å; V568-V790 HydrophobicContact CG2-CB 3.78Å; V568-V790 HydrophobicContact CG2-CG1 3.95Å; V568-V790 HydrophobicContact CG2-CG2 3.94Å; N574-V790 PolarHBondContact ND2-O 2.84Å; N574-V790 VanDerWaalsContact ND2-O 3.13Å; T788-V790 PolarHBondContact O-N 2.84Å; T788-V790 VanDerWaalsContact O-N 3.12Å; V790-Y804 WeakPolarHBondContact CG1-OH 2.95Å; V790-Y804 HydrophobicContact CG2-CE1 4.14Å; V790-Y804 VanDerWaalsContact CG2-OH 3.26Å; V790-Y804 WeakPolarHBondContact CG2-OH 3.29Å; V790-Y804 PolarHBondContact N-OH 3.26Å; V790-M855 HydrophobicContact CG2-CE 4.3Å
791R97.6Very high98.3Very high81 Ų8113 Ų1331%0.3066%0.06SC..THydrogen-bonded Turntrans-85.8-7.1-172.6-65.4-179.358.6174.4-0.2114.6K565 Y789 A858K565-R791 HydrophobicContact CG-CG 4.32Å; Y789-R791 VanDerWaalsContact C-N 3.28Å; Y789-R791 HydrophobicContact CD1-CB 4.2Å; Y789-R791 HydrophobicContact CE1-CB 3.6Å; Y789-R791 HydrophobicContact CE1-CG 4.24Å; Y789-R791 HydrophobicContact CE2-CG 4.49Å; Y789-R791 PolarHBondContact O-N 2.83Å; Y789-R791 WeakPolarHBondContact OH-CD 3.38Å; R791-A858 WeakPolarHBondContact CD-OXT 3.46Å; R791-A858 WeakPolarHBondContact CG-OXT 3.46Å; R791-A858 PolarHBondContact NE-OXT 2.94Å
792C97.1Very high98.3Very high28 Ų2813 Ų1319%0.1896%0.06CC..SBendtrans-155.8159.6176.755.50000110.9R794C792-R794 HydrophobicContact CB-CG 4.36Å; C792-R794 PolarHBondContact O-N 2.89Å
793T97.5Very high98.3Very high13 Ų1315.5 Ų15.58%0.087%0.07CC..SBendtrans-88.955.5171.353.40000111.4W434 M436W434-T793 VanDerWaalsContact CE2-C 3.45Å; W434-T793 VanDerWaalsContact CZ2-CA 3.47Å; W434-T793 PolarHBondContact N-O 2.94Å; W434-T793 VanDerWaalsContact NE1-CB 3.34Å; W434-T793 WeakPolarHBondContact O-CB 3.47Å; W434-T793 PolarHBondContact O-OG1 3.42Å; M436-T793 HydrophobicContact CG-CG2 3.77Å
794R98Very high98.3Very high76 Ų7615.3 Ų15.329%0.2877%0.069SC..BIsolated β-bridgetrans-143.7147.9-176.8-55.5179.969.9862.7110.2G432 V433 W434 C792 V796G432-R794 WeakPolarHBondContact O-CA 3.49Å; V433-R794 HydrophobicContact CG1-CG 4.39Å; V433-R794 VanDerWaalsContact CG2-CZ 3.42Å; V433-R794 VanDerWaalsContact CG2-NH1 3.29Å; W434-R794 VanDerWaalsContact CH2-N 3.29Å; W434-R794 WeakPolarHBondContact CH2-O 3.39Å; W434-R794 VanDerWaalsContact CZ3-CA 3.44Å; C792-R794 HydrophobicContact CB-CG 4.36Å; C792-R794 PolarHBondContact O-N 2.89Å; R794-V796 PolarHBondContact O-N 3.43Å
795S98.6Very high98.3Very high4 Ų414.8 Ų14.83%0.0287%0.067CC..  trans-69.6122.8164.5-174.80000109.1G432 S751 H752 C786 H787G432-S795 PolarHBondContact O-N 3.1Å; S751-S795 WeakPolarHBondContact O-CB 3.35Å; S751-S795 PolarHBondContact O-OG 2.91Å; H752-S795 WeakPolarHBondContact CB-O 3.49Å; C786-S795 WeakPolarHBondContact O-CA 3.32Å; H787-S795 PolarHBondContact CE1-OG 3.16Å; H787-S795 WeakPolarHBondContact NE2-CB 3.35Å
796V98.4Very high98.1Very high15 Ų1517.5 Ų17.59%0.0918%0.077CC..  trans-92162.2179.9-70.30000111.9S751 C786 Y789 R794 I798 Y803S751-V796 WeakPolarHBondContact CB-O 3.38Å; S751-V796 PolarHBondContact OG-O 2.88Å; C786-V796 VanDerWaalsContact CB-O 3.29Å; C786-V796 WeakPolarHBondContact CB-O 3.4Å; C786-V796 VanDerWaalsContact O-CG2 3.28Å; C786-V796 WeakPolarHBondContact O-CG2 3.24Å; C786-V796 PolarHBondContact O-N 3.27Å; C786-V796 PolarHBondContact SG-O 3.45Å; Y789-V796 HydrophobicContact CD1-CB 4.46Å; Y789-V796 HydrophobicContact CD1-CG1 3.43Å; Y789-V796 VanDerWaalsContact CD1-CG1 3.43Å; Y789-V796 HydrophobicContact CD1-CG2 4.31Å; Y789-V796 HydrophobicContact CE1-CG1 3.95Å; Y789-V796 HydrophobicContact CG-CG1 3.99Å; Y789-V796 HydrophobicContact CG-CG2 4Å; R794-V796 PolarHBondContact O-N 3.43Å; V796-I798 VanDerWaalsContact C-N 3.28Å; V796-I798 VanDerWaalsContact CG2-O 3.24Å; V796-I798 WeakPolarHBondContact CG2-O 3.4Å; V796-I798 PolarHBondContact O-N 3.46Å; V796-Y803 HydrophobicContact CB-CD2 3.95Å; V796-Y803 HydrophobicContact CB-CE2 3.83Å; V796-Y803 HydrophobicContact CG1-CE2 4.4Å; V796-Y803 HydrophobicContact CG2-CD2 3.87Å; V796-Y803 HydrophobicContact CG2-CE2 4.27Å
797S98.1Very high98.1Very high5 Ų518.8 Ų18.84%0.0358%0.084CC..SBendtrans-70.6-14.8-169.862.50000116.1K708 S751 H752 S762K708-S797 WeakPolarHBondContact CE-OG 3.37Å; K708-S797 PolarHBondContact NZ-OG 3.23Å; S751-S797 VanDerWaalsContact OG-C 3.24Å; S751-S797 VanDerWaalsContact OG-CA 3.29Å; S751-S797 WeakPolarHBondContact OG-CA 3.18Å; S751-S797 PolarHBondContact OG-O 2.57Å; H752-S797 WeakPolarHBondContact ND1-CB 3.46Å; S762-S797 WeakPolarHBondContact CB-O 3.46Å; S762-S797 PolarHBondContact OG-O 2.93Å
798I98.5Very high98.1Very high1 Ų118.7 Ų18.71%0.0058%0.083CC..SBendtrans-142159.417957.4176.9000107.8V706 K708 S762 C786 V796 A802 Y803V706-I798 HydrophobicContact CG1-CB 4.19Å; V706-I798 HydrophobicContact CG1-CG2 3.63Å; K708-I798 HydrophobicContact CB-CG2 4.34Å; K708-I798 HydrophobicContact CD-CG2 4.36Å; S762-I798 WeakPolarHBondContact OG-CG2 3.44Å; C786-I798 VanDerWaalsContact SG-C 3.51Å; V796-I798 VanDerWaalsContact C-N 3.28Å; V796-I798 VanDerWaalsContact CG2-O 3.24Å; V796-I798 WeakPolarHBondContact CG2-O 3.4Å; V796-I798 PolarHBondContact O-N 3.46Å; I798-A802 HydrophobicContact CD1-CB 4.14Å; I798-Y803 HydrophobicContact CD1-CD2 3.81Å; I798-Y803 HydrophobicContact CD1-CE2 4.17Å; I798-Y803 HydrophobicContact CD1-CG 4.02Å; I798-Y803 HydrophobicContact CG1-CD2 3.2Å; I798-Y803 HydrophobicContact CG1-CE2 3.6Å; I798-Y803 HydrophobicContact CG1-CG 3.87Å
799P98.8Very high98Very high0 Ų018.3 Ų18.30%08%0.081CC..  trans-56.4145-179.6-28.139.3000111.8Y666 Y764 T782 L785 P801 A802 Y803Y666-P799 HydrophobicContact CD1-CG 3.91Å; Y666-P799 HydrophobicContact CE1-CG 3.8Å; Y666-P799 HydrophobicContact CG-CG 4.34Å; Y764-P799 HydrophobicContact CE1-CG 3.96Å; Y764-P799 WeakPolarHBondContact OH-CD 3.28Å; T782-P799 HydrophobicContact CG2-CG 3.92Å; L785-P799 HydrophobicContact CB-CB 3.86Å; P799-P801 VanDerWaalsContact C-CD 3.46Å; P799-P801 VanDerWaalsContact C-N 3.33Å; P799-P801 HydrophobicContact CB-CG 4.01Å; P799-A802 PolarHBondContact O-N 2.89Å; P799-A802 VanDerWaalsContact O-N 3.12Å; P799-Y803 PolarHBondContact O-N 2.9Å
800A98.7Very high97.8Very high0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-46.8-46.4176.400000114L785 T788 A802 Y803 Y804L785-A800 WeakPolarHBondContact O-CB 3.48Å; L785-A800 PolarHBondContact O-N 3.28Å; T788-A800 VanDerWaalsContact OG1-CB 3.29Å; T788-A800 WeakPolarHBondContact OG1-CB 3.42Å; A800-A802 PolarHBondContact O-N 2.91Å; A800-Y803 WeakPolarHBondContact O-CB 3.35Å; A800-Y803 PolarHBondContact O-N 3.49Å; A800-Y803 VanDerWaalsContact O-N 3.16Å; A800-Y804 HydrophobicContact CB-CD2 4.3Å; A800-Y804 HydrophobicContact CB-CE2 3.71Å; A800-Y804 WeakPolarHBondContact O-CB 3.4Å; A800-Y804 WeakPolarHBondContact O-CD2 3.23Å; A800-Y804 PolarHBondContact O-N 3.42Å
801P98.7Very high97.7Very high0 Ų021.7 Ų21.70%010%0.095CC..Hα-helixtrans-55.5-48.1176.815.8-29.9000113.6V614 Y624 Y666 P799 Y803 Y804 A805V614-P801 HydrophobicContact CG2-CB 4.25Å; V614-P801 WeakPolarHBondContact CG2-O 3.44Å; Y624-P801 HydrophobicContact CE1-CB 3.79Å; Y624-P801 HydrophobicContact CE1-CG 4.43Å; Y666-P801 HydrophobicContact CD2-CG 4.18Å; P799-P801 VanDerWaalsContact C-CD 3.46Å; P799-P801 VanDerWaalsContact C-N 3.33Å; P799-P801 HydrophobicContact CB-CG 4.01Å; P801-Y803 VanDerWaalsContact C-N 3.33Å; P801-Y803 PolarHBondContact O-N 2.81Å; P801-Y804 PolarHBondContact O-N 2.83Å; P801-A805 PolarHBondContact O-N 2.91Å
802A98.1Very high97.6Very high0 Ų017.9 Ų17.90%08%0.081CC..Hα-helixtrans-63.2-40.7177.600000111.5I798 P799 A800 Y804 A805 R806I798-A802 HydrophobicContact CD1-CB 4.14Å; P799-A802 PolarHBondContact O-N 2.89Å; P799-A802 VanDerWaalsContact O-N 3.12Å; A800-A802 PolarHBondContact O-N 2.91Å; A802-Y804 VanDerWaalsContact C-N 3.34Å; A802-Y804 PolarHBondContact O-N 3.19Å; A802-A805 PolarHBondContact O-N 2.98Å; A802-R806 PolarHBondContact O-N 3.3Å
803Y97.9Very high97.4Very high52 Ų5218.9 Ų18.920%0.2048%0.081CC..Hα-helixtrans-62.6-40.1175.8-124.7-56.6000112.3Y789 V796 I798 P799 A800 P801 R806 L807Y789-Y803 HydrophobicContact CD2-CG 4.4Å; Y789-Y803 HydrophobicContact CE2-CD1 4.2Å; Y789-Y803 HydrophobicContact CE2-CG 4.04Å; V796-Y803 HydrophobicContact CB-CD2 3.95Å; V796-Y803 HydrophobicContact CB-CE2 3.83Å; V796-Y803 HydrophobicContact CG1-CE2 4.4Å; V796-Y803 HydrophobicContact CG2-CD2 3.87Å; V796-Y803 HydrophobicContact CG2-CE2 4.27Å; I798-Y803 HydrophobicContact CD1-CD2 3.81Å; I798-Y803 HydrophobicContact CD1-CE2 4.17Å; I798-Y803 HydrophobicContact CD1-CG 4.02Å; I798-Y803 HydrophobicContact CG1-CD2 3.2Å; I798-Y803 HydrophobicContact CG1-CE2 3.6Å; I798-Y803 HydrophobicContact CG1-CG 3.87Å; P799-Y803 PolarHBondContact O-N 2.9Å; A800-Y803 WeakPolarHBondContact O-CB 3.35Å; A800-Y803 PolarHBondContact O-N 3.49Å; A800-Y803 VanDerWaalsContact O-N 3.16Å; P801-Y803 VanDerWaalsContact C-N 3.33Å; P801-Y803 PolarHBondContact O-N 2.81Å; Y803-R806 PolarHBondContact O-N 3.23Å; Y803-L807 WeakPolarHBondContact O-CG 3.37Å; Y803-L807 PolarHBondContact O-N 3.06Å; Y803-L807 VanDerWaalsContact O-N 3.16Å
804Y98.8Very high97.1Very high0 Ų023.5 Ų23.50%010%0.097CC..Hα-helixtrans-69-42.7179-66-34.8000112.6Y624 T788 Y789 V790 A800 P801 A802 R806 L807 V808 M855 F857Y624-Y804 HydrophobicContact CD1-CD2 4.22Å; Y624-Y804 AromaticContact CD2-CD2 3.71Å; Y624-Y804 HydrophobicContact CD2-CD2 3.71Å; Y624-Y804 AromaticContact CD2-CE2 3.48Å; Y624-Y804 HydrophobicContact CD2-CE2 3.48Å; Y624-Y804 VanDerWaalsContact CD2-CE2 3.48Å; Y624-Y804 HydrophobicContact CE2-CD2 4.17Å; Y624-Y804 AromaticContact CE2-CE2 3.79Å; Y624-Y804 HydrophobicContact CE2-CE2 3.79Å; Y624-Y804 AromaticContact CG-CD2 3.77Å; Y624-Y804 HydrophobicContact CG-CD2 3.77Å; Y624-Y804 HydrophobicContact CG-CE2 4.04Å; T788-Y804 PolarHBondContact O-OH 2.92Å; Y789-Y804 HydrophobicContact CD2-CD1 4.01Å; Y789-Y804 AromaticContact CD2-CE1 3.37Å; Y789-Y804 HydrophobicContact CD2-CE1 3.37Å; Y789-Y804 AromaticContact CD2-CZ 3.84Å; Y789-Y804 AromaticContact CE2-CD1 3.86Å; Y789-Y804 HydrophobicContact CE2-CD1 3.86Å; Y789-Y804 AromaticContact CE2-CE1 3.52Å; Y789-Y804 HydrophobicContact CE2-CE1 3.52Å; V790-Y804 WeakPolarHBondContact CG1-OH 2.95Å; V790-Y804 HydrophobicContact CG2-CE1 4.14Å; V790-Y804 VanDerWaalsContact CG2-OH 3.26Å; V790-Y804 WeakPolarHBondContact CG2-OH 3.29Å; V790-Y804 PolarHBondContact N-OH 3.26Å; A800-Y804 HydrophobicContact CB-CD2 4.3Å; A800-Y804 HydrophobicContact CB-CE2 3.71Å; A800-Y804 WeakPolarHBondContact O-CB 3.4Å; A800-Y804 WeakPolarHBondContact O-CD2 3.23Å; A800-Y804 PolarHBondContact O-N 3.42Å; P801-Y804 PolarHBondContact O-N 2.83Å; A802-Y804 VanDerWaalsContact C-N 3.34Å; A802-Y804 PolarHBondContact O-N 3.19Å; Y804-R806 PolarHBondContact O-N 2.79Å; Y804-L807 HydrophobicContact CD1-CD1 4.29Å; Y804-L807 WeakPolarHBondContact O-CA 3.2Å; Y804-L807 WeakPolarHBondContact O-CB 3.27Å; Y804-L807 PolarHBondContact O-N 2.92Å; Y804-V808 WeakPolarHBondContact O-CG2 3.28Å; Y804-V808 PolarHBondContact O-N 2.99Å; Y804-M855 HydrophobicContact CD2-CE 4.33Å; Y804-M855 HydrophobicContact CE1-CE 4.1Å; Y804-M855 HydrophobicContact CE2-CE 3.86Å; Y804-F857 HydrophobicContact CD1-CD2 4.23Å; Y804-F857 AromaticContact CD1-CE2 3.73Å; Y804-F857 HydrophobicContact CD1-CE2 3.73Å; Y804-F857 HydrophobicContact CD2-CE2 4.44Å; Y804-F857 HydrophobicContact CE1-CE2 4.46Å; Y804-F857 HydrophobicContact CG-CD2 4.5Å; Y804-F857 AromaticContact CG-CE2 3.72Å; Y804-F857 HydrophobicContact CG-CE2 3.72Å
805A98.4Very high96.9Very high0 Ų020.2 Ų20.20%09%0.085CC..Hα-helixtrans-53.4-44.917400000111.3G594 D596 A612 V614 P801 A802 L807 V808 A809G594-A805 WeakPolarHBondContact O-CB 3.4Å; D596-A805 HydrophobicContact CB-CB 3.89Å; A612-A805 WeakPolarHBondContact CB-O 3.47Å; V614-A805 HydrophobicContact CG2-CB 4.4Å; P801-A805 PolarHBondContact O-N 2.91Å; A802-A805 PolarHBondContact O-N 2.98Å; A805-L807 PolarHBondContact O-N 2.89Å; A805-V808 WeakPolarHBondContact O-CB 3.41Å; A805-V808 PolarHBondContact O-N 3.2Å; A805-A809 PolarHBondContact O-N 3.19Å
806R96.1Very high96.5Very high56 Ų5621 Ų2121%0.2119%0.089CC..Hα-helixtrans-63.4-37.5175.5-172.7170.9176.2-171.3-3.3113.6D596 A802 Y803 Y804 F810D596-R806 HydrophobicContact CB-CB 4.39Å; D596-R806 WeakPolarHBondContact OD2-CA 3.14Å; A802-R806 PolarHBondContact O-N 3.3Å; Y803-R806 PolarHBondContact O-N 3.23Å; Y804-R806 PolarHBondContact O-N 2.79Å; R806-F810 HydrophobicContact CG-CD2 3.95Å; R806-F810 HydrophobicContact CG-CE2 3.55Å; R806-F810 HydrophobicContact CG-CZ 4.07Å; R806-F810 VanDerWaalsContact NE-CE2 3.31Å; R806-F810 WeakPolarHBondContact O-CB 3.49Å; R806-F810 VanDerWaalsContact O-CD2 3.25Å; R806-F810 WeakPolarHBondContact O-CD2 3.41Å; R806-F810 WeakPolarHBondContact O-CG 3.45Å; R806-F810 PolarHBondContact O-N 2.69Å
807L97.8Very high95.7Very high27 Ų2724 Ų2414%0.14111%0.107CC..Hα-helixtrans-66.2-38174.6-68.2-178.4000112.1Y789 Y803 Y804 A805 R811 F857Y789-L807 HydrophobicContact CE2-CD1 4.24Å; Y803-L807 WeakPolarHBondContact O-CG 3.37Å; Y803-L807 PolarHBondContact O-N 3.06Å; Y803-L807 VanDerWaalsContact O-N 3.16Å; Y804-L807 HydrophobicContact CD1-CD1 4.29Å; Y804-L807 WeakPolarHBondContact O-CA 3.2Å; Y804-L807 WeakPolarHBondContact O-CB 3.27Å; Y804-L807 PolarHBondContact O-N 2.92Å; A805-L807 PolarHBondContact O-N 2.89Å; L807-R811 WeakPolarHBondContact O-CB 3.49Å; L807-R811 PolarHBondContact O-N 3.19Å; L807-F857 HydrophobicContact CB-CB 4.27Å; L807-F857 HydrophobicContact CB-CD2 4.38Å
808V98.5Very high94.2Very high0 Ų026.9 Ų26.90%012%0.122CC..Hα-helixtrans-64.4-48.9175.81720000110.3A612 V614 A626 V628 Y804 A805 F810 R811 A812 F857A612-V808 HydrophobicContact CB-CB 3.82Å; A612-V808 HydrophobicContact CB-CG1 3.64Å; V614-V808 HydrophobicContact CG1-CG2 3.88Å; A626-V808 HydrophobicContact CB-CB 4.47Å; A626-V808 HydrophobicContact CB-CG1 4.11Å; A626-V808 HydrophobicContact CB-CG2 3.52Å; V628-V808 HydrophobicContact CB-CG1 3.8Å; V628-V808 HydrophobicContact CG2-CG1 4.07Å; Y804-V808 WeakPolarHBondContact O-CG2 3.28Å; Y804-V808 PolarHBondContact O-N 2.99Å; A805-V808 WeakPolarHBondContact O-CB 3.41Å; A805-V808 PolarHBondContact O-N 3.2Å; V808-F810 VanDerWaalsContact C-N 3.34Å; V808-F810 PolarHBondContact O-N 3.33Å; V808-R811 WeakPolarHBondContact O-CB 3.48Å; V808-R811 PolarHBondContact O-N 2.86Å; V808-R811 VanDerWaalsContact O-N 3.09Å; V808-A812 PolarHBondContact O-N 3.41Å; V808-F857 HydrophobicContact CG2-CB 3.78Å; V808-F857 HydrophobicContact CG2-CD1 3.44Å; V808-F857 VanDerWaalsContact CG2-CD1 3.44Å; V808-F857 HydrophobicContact CG2-CD2 4.14Å; V808-F857 HydrophobicContact CG2-CE1 4.01Å; V808-F857 HydrophobicContact CG2-CG 3.51Å
809A96.1Very high91.9Very high0 Ų032.4 Ų32.40%015%0.146CC..Hα-helixtrans-60.3-42.3177.900000112.1I610 A612 A805 A812 R813I610-A809 HydrophobicContact CG2-CB 4.02Å; A612-A809 HydrophobicContact CB-CB 3.95Å; A805-A809 PolarHBondContact O-N 3.19Å; A809-A812 PolarHBondContact O-N 2.98Å; A809-R813 PolarHBondContact O-N 3.21Å; A809-R813 VanDerWaalsContact O-N 3.12Å
810F93.9Very high88.8Confident84 Ų8440.2 Ų40.237%0.36818%0.183SC..Hα-helixtrans-65.9-36.3173.8-72.9-34.1000113.3T598 R806 V808 R813 Y814T598-F810 HydrophobicContact CG2-CD1 4.23Å; T598-F810 HydrophobicContact CG2-CE1 4Å; R806-F810 HydrophobicContact CG-CD2 3.95Å; R806-F810 HydrophobicContact CG-CE2 3.55Å; R806-F810 HydrophobicContact CG-CZ 4.07Å; R806-F810 VanDerWaalsContact NE-CE2 3.31Å; R806-F810 WeakPolarHBondContact O-CB 3.49Å; R806-F810 VanDerWaalsContact O-CD2 3.25Å; R806-F810 WeakPolarHBondContact O-CD2 3.41Å; R806-F810 WeakPolarHBondContact O-CG 3.45Å; R806-F810 PolarHBondContact O-N 2.69Å; V808-F810 VanDerWaalsContact C-N 3.34Å; V808-F810 PolarHBondContact O-N 3.33Å; F810-R813 WeakPolarHBondContact O-CB 3.47Å; F810-R813 PolarHBondContact O-N 3.32Å; F810-Y814 VanDerWaalsContact O-CD2 3.32Å; F810-Y814 WeakPolarHBondContact O-CD2 3.42Å; F810-Y814 PolarHBondContact O-N 3.04Å
811R96.3Very high85.8Confident14 Ų1447.3 Ų47.35%0.05322%0.216CC..Hα-helixtrans-64.4-45.4176.1-178.260.163.971.616.3111.2D536 L807 V808 R813 Y814 H815 Y856 F857D536-R811 IonicContact OD1-NH1 2.68Å; D536-R811 WeakPolarHBondContact OD2-CD 3.47Å; D536-R811 IonicContact OD2-CZ 2.58Å; D536-R811 IonicContact OD2-NE 3.3Å; D536-R811 IonicContact OD2-NH1 2.8Å; D536-R811 PolarHBondContact OD2-NH1 3.26Å; L807-R811 WeakPolarHBondContact O-CB 3.49Å; L807-R811 PolarHBondContact O-N 3.19Å; V808-R811 WeakPolarHBondContact O-CB 3.48Å; V808-R811 PolarHBondContact O-N 2.86Å; V808-R811 VanDerWaalsContact O-N 3.09Å; R811-R813 PolarHBondContact O-N 3.25Å; R811-Y814 WeakPolarHBondContact O-CA 3.38Å; R811-Y814 WeakPolarHBondContact O-CB 3.47Å; R811-Y814 PolarHBondContact O-N 2.71Å; R811-H815 PolarHBondContact O-N 3.31Å; R811-H815 VanDerWaalsContact O-N 3.14Å; R811-Y856 HydrophobicContact CB-CE2 4.43Å; R811-Y856 HydrophobicContact CG-CD2 4.13Å; R811-Y856 HydrophobicContact CG-CE2 3.65Å; R811-Y856 PolarHBondContact NH1-O 2.6Å; R811-Y856 PolarHBondContact NH2-O 3.08Å; R811-F857 PolarHBondContact NH2-O 3.17Å
812A95.6Very high82.6Confident0 Ų054.3 Ų54.30%025%0.253CS..Hα-helixtrans-63-31.6177.200000112.4I610 V628 V808 A809 Y814 H815 L816 V845I610-A812 HydrophobicContact CD1-CB 4.24Å; I610-A812 HydrophobicContact CG2-CB 3.97Å; V628-A812 HydrophobicContact CG2-CB 3.6Å; V808-A812 PolarHBondContact O-N 3.41Å; A809-A812 PolarHBondContact O-N 2.98Å; A812-Y814 PolarHBondContact O-N 3.43Å; A812-H815 WeakPolarHBondContact O-CB 3.47Å; A812-H815 PolarHBondContact O-N 3.35Å; A812-H815 VanDerWaalsContact O-N 3.08Å; A812-L816 WeakPolarHBondContact O-CG 3.47Å; A812-L816 PolarHBondContact O-N 3.23Å; A812-V845 HydrophobicContact CB-CB 4.16Å; A812-V845 HydrophobicContact CB-CG1 3.86Å
813R92.3Very high79.3Confident50 Ų5057.5 Ų57.519%0.18928%0.275CS..Hα-helixtrans-61.4-33.2170.9-170.564.769.8-169.92.6112.7T598 P608 I610 A809 F810 R811T598-R813 PolarHBondContact O-NH2 2.85Å; P608-R813 PolarHBondContact O-NH1 3.09Å; P608-R813 PolarHBondContact O-NH2 2.96Å; I610-R813 HydrophobicContact CD1-CB 3.79Å; A809-R813 PolarHBondContact O-N 3.21Å; A809-R813 VanDerWaalsContact O-N 3.12Å; F810-R813 WeakPolarHBondContact O-CB 3.47Å; F810-R813 PolarHBondContact O-N 3.32Å; R811-R813 PolarHBondContact O-N 3.25Å
814Y92.1Very high76.3Confident110 Ų11058.3 Ų58.343%0.43130%0.299SS..Hα-helixtrans-72.6-33.2172.4-78.9-74.6000112.5Y528 A529 F810 R811 A812 L816 V817Y528-Y814 AromaticContact CD1-CD1 3.83Å; Y528-Y814 HydrophobicContact CD1-CD1 3.83Å; Y528-Y814 AromaticContact CD1-CE1 3.71Å; Y528-Y814 HydrophobicContact CD1-CE1 3.71Å; Y528-Y814 HydrophobicContact CD1-CE2 4.49Å; Y528-Y814 HydrophobicContact CD1-CG 4.27Å; Y528-Y814 AromaticContact CE1-CD1 3.99Å; Y528-Y814 HydrophobicContact CE1-CD1 3.99Å; Y528-Y814 AromaticContact CE1-CD2 3.92Å; Y528-Y814 HydrophobicContact CE1-CD2 3.92Å; Y528-Y814 AromaticContact CE1-CE1 3.92Å; Y528-Y814 HydrophobicContact CE1-CE1 3.92Å; Y528-Y814 AromaticContact CE1-CE2 3.85Å; Y528-Y814 HydrophobicContact CE1-CE2 3.85Å; Y528-Y814 AromaticContact CE1-CG 3.98Å; Y528-Y814 HydrophobicContact CE1-CG 3.98Å; Y528-Y814 AromaticContact CE1-CZ 3.84Å; A529-Y814 HydrophobicContact CB-CD1 4.09Å; F810-Y814 VanDerWaalsContact O-CD2 3.32Å; F810-Y814 WeakPolarHBondContact O-CD2 3.42Å; F810-Y814 PolarHBondContact O-N 3.04Å; R811-Y814 WeakPolarHBondContact O-CA 3.38Å; R811-Y814 WeakPolarHBondContact O-CB 3.47Å; R811-Y814 PolarHBondContact O-N 2.71Å; A812-Y814 PolarHBondContact O-N 3.43Å; Y814-L816 VanDerWaalsContact C-N 3.26Å; Y814-L816 PolarHBondContact O-N 3.34Å; Y814-V817 WeakPolarHBondContact O-CB 3.24Å; Y814-V817 PolarHBondContact O-N 3.42Å
815H93.6Very high72.9Confident6 Ų667.4 Ų67.43%0.02834%0.342CS..Hα-helixtrans-67.8-27.5174.9-56.4155.6000112.8K532 D536 T537 R811 A812 V817 A844K532-H815 PolarHBondContact O-NE2 3.33Å; D536-H815 IonicContact OD2-CE1 3.95Å; D536-H815 IonicContact OD2-NE2 3.34Å; D536-H815 PolarHBondContact OD2-NE2 2.81Å; D536-H815 VanDerWaalsContact OD2-NE2 3.11Å; T537-H815 HydrophobicContact CG2-CB 4.46Å; R811-H815 PolarHBondContact O-N 3.31Å; R811-H815 VanDerWaalsContact O-N 3.14Å; A812-H815 WeakPolarHBondContact O-CB 3.47Å; A812-H815 PolarHBondContact O-N 3.35Å; A812-H815 VanDerWaalsContact O-N 3.08Å; H815-V817 VanDerWaalsContact C-N 3.29Å; H815-V817 PolarHBondContact O-N 2.99Å; H815-A844 WeakPolarHBondContact CB-O 3.23Å
816L89.1Confident69.5Low20 Ų2070.8 Ų70.811%0.10538%0.376CS..THydrogen-bonded Turntrans-82.34.2174.3-67.2177.2000114.5P608 I610 V630 A812 Y814 D818 L841 A844 V845P608-L816 HydrophobicContact CG-CD1 4.13Å; I610-L816 HydrophobicContact CD1-CD1 3.87Å; I610-L816 HydrophobicContact CG1-CD1 4.24Å; V630-L816 HydrophobicContact CG1-CD1 4.05Å; A812-L816 WeakPolarHBondContact O-CG 3.47Å; A812-L816 PolarHBondContact O-N 3.23Å; Y814-L816 VanDerWaalsContact C-N 3.26Å; Y814-L816 PolarHBondContact O-N 3.34Å; L816-D818 PolarHBondContact O-N 2.82Å; L816-L841 HydrophobicContact CD2-CB 4.46Å; L816-L841 HydrophobicContact CD2-CD2 3.82Å; L816-A844 HydrophobicContact CD2-CB 3.84Å; L816-V845 HydrophobicContact CD1-CG1 4.09Å; L816-V845 HydrophobicContact CD2-CG1 3.76Å; L816-V845 HydrophobicContact CG-CG1 3.71Å
817V82.8Confident66.5Low79 Ų7973.3 Ų73.348%0.47940%0.403SS..  trans-78.3114.5174.8178.40000108A529 Y814 H815A529-V817 HydrophobicContact CB-CB 4.16Å; A529-V817 HydrophobicContact CB-CG1 4.39Å; A529-V817 HydrophobicContact CB-CG2 4.43Å; Y814-V817 WeakPolarHBondContact O-CB 3.24Å; Y814-V817 PolarHBondContact O-N 3.42Å; H815-V817 VanDerWaalsContact C-N 3.29Å; H815-V817 PolarHBondContact O-N 2.99Å
818D66.6Low63Low66 Ų6680.5 Ų80.535%0.35344%0.435SS..  trans-70.4156.4178.2-71.814.2000112.5L816 E820 R836L816-D818 PolarHBondContact O-N 2.82Å; D818-E820 HydrophobicContact CB-CB 4.32Å; D818-E820 PolarHBondContact O-N 3.48Å; D818-R836 IonicContact OD1-CZ 3.99Å; D818-R836 IonicContact OD1-NH1 2.71Å; D818-R836 PolarHBondContact OD1-NH1 2.8Å; D818-R836 IonicContact OD1-NH2 3.6Å; D818-R836 IonicContact OD2-CZ 2.6Å; D818-R836 IonicContact OD2-NE 2.97Å; D818-R836 IonicContact OD2-NH1 2.65Å; D818-R836 PolarHBondContact OD2-NH1 3.1Å; D818-R836 IonicContact OD2-NH2 3.75Å; D818-R836 PolarHBondContact OD2-NH2 2.6Å
819K48.8Very low60.1Low117 Ų11787.9 Ų87.951%0.50948%0.48SS..SBendtrans-70.2-9.7166.3-68.4-170.3175.6-166.70113.2E530 H821E530-K819 WeakPolarHBondContact OE1-CE 3.26Å; E530-K819 IonicContact OE1-NZ 2.79Å; E530-K819 PolarHBondContact OE1-NZ 3.43Å; E530-K819 VanDerWaalsContact OE1-NZ 3.16Å; K819-H821 PolarHBondContact O-CD2 3.36Å; K819-H821 PolarHBondContact O-N 2.92Å
820E34.6Very low56.7Low163 Ų16393.1 Ų93.176%0.76252%0.516SS*.SBendtrans-71.884.4172.3-69.8-170.6174.900109.9D818 D822D818-E820 HydrophobicContact CB-CB 4.32Å; D818-E820 PolarHBondContact O-N 3.48Å; E820-D822 PolarHBondContact O-N 3Å
821H35.6Very low53.4Low150 Ų15092.5 Ų92.569%0.69453%0.534SS*.  trans4.199.5142.7-79-79.2000115K819 S823K819-H821 PolarHBondContact O-CD2 3.36Å; K819-H821 PolarHBondContact O-N 2.92Å; H821-S823 WeakPolarHBondContact CB-OG 3.21Å; H821-S823 VanDerWaalsContact CG-OG 3.29Å; H821-S823 PolarHBondContact ND1-OG 2.97Å; H821-S823 PolarHBondContact O-N 2.83Å; H821-S823 VanDerWaalsContact O-N 3.13Å
822D31.9Very low50.3Low146 Ų146100 Ų10078%0.78157%0.57SS**SBendtrans-74.121.9153.9-146-1.2000110.2K259 E820K259-D822 IonicContact NZ-OD1 2.96Å; K259-D822 PolarHBondContact NZ-OD1 3.47Å; E820-D822 PolarHBondContact O-N 3Å
823S29.6Very low47.3Very low67 Ų67105 Ų10547%0.46961%0.605SS.*SBendtrans-93.5117.8166.951.10000108H821 E825H821-S823 WeakPolarHBondContact CB-OG 3.21Å; H821-S823 VanDerWaalsContact CG-OG 3.29Å; H821-S823 PolarHBondContact ND1-OG 2.97Å; H821-S823 PolarHBondContact O-N 2.83Å; H821-S823 VanDerWaalsContact O-N 3.13Å; S823-E825 PolarHBondContact O-N 2.86Å
824G33.8Very low44.5Very low69 Ų69108.6 Ų108.671%0.71163%0.628SS**  trans-61.1111.6175.300000110.4
825E26.6Very low42.3Very low192 Ų192106.9 Ų106.990%0.89764%0.644SS**  trans-164.6133.5155.8-108.5167.3-154.900107.9S823S823-E825 PolarHBondContact O-N 2.86Å
826G27.6Very low40.6Very low70 Ų70113 Ų11372%0.72267%0.666SS**  trans86.484.1164.400000117.1H828G826-H828 PolarHBondContact O-N 3.19Å
827S32.6Very low39.9Very low109 Ų109116.3 Ų116.376%0.76268%0.684SS**  trans-68.6108.215448.60000110.1
828H24.8Very low39.8Very low178 Ų178117.2 Ų117.282%0.82469%0.692SS**  trans-115123.3152-82.5-71.8000109.1G826 S830G826-H828 PolarHBondContact O-N 3.19Å; H828-S830 PolarHBondContact O-N 3.05Å; H828-S830 VanDerWaalsContact O-N 3.16Å
829V37.3Very low40.6Very low156 Ų156121.1 Ų121.195%0.94571%0.708SS**  trans-66.4107170.7176.80000107.5
830S26Very low42.4Very low109 Ų109118.2 Ų118.276%0.76271%0.706SS**  trans-157.4128.7152.659.50000110H828H828-S830 PolarHBondContact O-N 3.05Å; H828-S830 VanDerWaalsContact O-N 3.16Å
831G24.8Very low44.9Very low72 Ų72111.7 Ų111.774%0.74268%0.676SS**  trans79115.6164.400000116.4S833G831-S833 PolarHBondContact O-N 3.3Å
832Q30.7Very low47.5Very low171 Ų171106.7 Ų106.780%0.79966%0.661SS**  trans-46.3108.8157-68.2168.6-12.800109.8N834Q832-N834 PolarHBondContact O-N 2.86Å
833S32Very low50.2Low106 Ų106107.2 Ų107.274%0.74166%0.656SS**  trans-76.567.3160.451.70000108.9G831G831-S833 PolarHBondContact O-N 3.3Å
834N34.3Very low53.1Low125 Ų125105.7 Ų105.767%0.66865%0.648SS**  trans-50.2144.6150.2-80.9-22.9000107.8Q832 R836Q832-N834 PolarHBondContact O-N 2.86Å; N834-R836 PolarHBondContact O-N 3.24Å
835G44.8Very low55.9Low74 Ų74102.6 Ų102.676%0.76362%0.615SS**SBendtrans-39.8132.5-168.800000113.5D837G835-D837 PolarHBondContact O-N 3Å
836R58.7Low59.1Low133 Ų13399.8 Ų99.850%0.50260%0.602SS.*  trans-45.2135.6176-67.2176.4-166.5-173-0.8109.7D818 N834 P838 L841D818-R836 IonicContact OD1-CZ 3.99Å; D818-R836 IonicContact OD1-NH1 2.71Å; D818-R836 PolarHBondContact OD1-NH1 2.8Å; D818-R836 IonicContact OD1-NH2 3.6Å; D818-R836 IonicContact OD2-CZ 2.6Å; D818-R836 IonicContact OD2-NE 2.97Å; D818-R836 IonicContact OD2-NH1 2.65Å; D818-R836 PolarHBondContact OD2-NH1 3.1Å; D818-R836 IonicContact OD2-NH2 3.75Å; D818-R836 PolarHBondContact OD2-NH2 2.6Å; N834-R836 PolarHBondContact O-N 3.24Å; R836-P838 WeakPolarHBondContact O-CD 3.49Å; R836-P838 VanDerWaalsContact O-N 3.12Å; R836-L841 HydrophobicContact CB-CD1 4.22Å; R836-L841 HydrophobicContact CB-CG 4.25Å
837D75.1Confident62.3Low91 Ų9197.1 Ų97.149%0.48757%0.571SS.*  trans-47.6118.5172.4178.74000109.5G835 Q839 A840 L841G835-D837 PolarHBondContact O-N 3Å; D837-Q839 PolarHBondContact O-N 3.32Å; D837-Q839 WeakPolarHBondContact OD1-CB 3.47Å; D837-Q839 PolarHBondContact OD1-N 3.14Å; D837-A840 HydrophobicContact CB-CB 4.36Å; D837-A840 WeakPolarHBondContact O-CB 3.46Å; D837-A840 PolarHBondContact O-N 2.89Å; D837-L841 PolarHBondContact O-N 3.32Å
838P79.6Confident65.4Low98 Ų9893.5 Ų93.564%0.63654%0.542SS*.Hα-helixtrans-49.5-31.2175.6-28.635.8000113R836 L841 A842R836-P838 WeakPolarHBondContact O-CD 3.49Å; R836-P838 VanDerWaalsContact O-N 3.12Å; P838-L841 PolarHBondContact O-N 2.93Å; P838-A842 WeakPolarHBondContact O-CB 3.49Å; P838-A842 PolarHBondContact O-N 3.44Å
839Q84.3Confident68.7Low147 Ų14791.1 Ų91.169%0.68753%0.531SS*.Hα-helixtrans-67.3-38.7178.8-163.8172.711.200112.5D837 A842 K843D837-Q839 PolarHBondContact O-N 3.32Å; D837-Q839 WeakPolarHBondContact OD1-CB 3.47Å; D837-Q839 PolarHBondContact OD1-N 3.14Å; Q839-A842 PolarHBondContact O-N 3.03Å; Q839-K843 PolarHBondContact O-N 3.42Å
840A86.4Confident71.4Confident57 Ų5787.5 Ų87.547%0.47151%0.506SS..Hα-helixtrans-65.6-41175.500000111.7D837 K843 A844D837-A840 HydrophobicContact CB-CB 4.36Å; D837-A840 WeakPolarHBondContact O-CB 3.46Å; D837-A840 PolarHBondContact O-N 2.89Å; A840-K843 PolarHBondContact O-N 2.98Å; A840-A844 WeakPolarHBondContact O-CB 3.34Å; A840-A844 PolarHBondContact O-N 3.18Å
841L87.1Confident74.7Confident25 Ų2582.5 Ų82.513%0.13147%0.471CS..Hα-helixtrans-64.8-39.3175.5-67.8171.8000111.9P608 V630 L816 R836 D837 P838 A844P608-L841 HydrophobicContact CG-CD1 4.17Å; V630-L841 HydrophobicContact CG2-CB 4.01Å; L816-L841 HydrophobicContact CD2-CB 4.46Å; L816-L841 HydrophobicContact CD2-CD2 3.82Å; R836-L841 HydrophobicContact CB-CD1 4.22Å; R836-L841 HydrophobicContact CB-CG 4.25Å; D837-L841 PolarHBondContact O-N 3.32Å; P838-L841 PolarHBondContact O-N 2.93Å; L841-A844 PolarHBondContact O-N 3.37Å
842A89.8Confident78Confident46 Ų4683.2 Ų83.238%0.3846%0.458SS..Hα-helixtrans-64.9-43.4175.600000111.8V630 P838 Q839 A844 V845 Q846V630-A842 HydrophobicContact CG2-CB 4.13Å; P838-A842 WeakPolarHBondContact O-CB 3.49Å; P838-A842 PolarHBondContact O-N 3.44Å; Q839-A842 PolarHBondContact O-N 3.03Å; A842-A844 VanDerWaalsContact C-N 3.33Å; A842-A844 PolarHBondContact O-N 3.46Å; A842-V845 VanDerWaalsContact O-CG2 3.24Å; A842-V845 WeakPolarHBondContact O-CG2 3.22Å; A842-V845 PolarHBondContact O-N 3.06Å; A842-Q846 PolarHBondContact O-N 3.43Å
843K89.3Confident81.1Confident156 Ų15682 Ų8268%0.67845%0.446SS*.Hα-helixtrans-63-38.2176.6-171.1175.6-178.1177.80112.3Q839 A840 V845 Q846Q839-K843 PolarHBondContact O-N 3.42Å; A840-K843 PolarHBondContact O-N 2.98Å; K843-V845 VanDerWaalsContact C-N 3.26Å; K843-V845 PolarHBondContact O-N 3.48Å; K843-Q846 WeakPolarHBondContact O-CB 3.4Å; K843-Q846 PolarHBondContact O-N 3.02Å
844A89.9Confident84.1Confident36 Ų3678.7 Ų78.730%0.29842%0.421SS..Hα-helixtrans-64.9-26.8-17900000113.9H815 L816 A840 L841 A842H815-A844 WeakPolarHBondContact CB-O 3.23Å; L816-A844 HydrophobicContact CD2-CB 3.84Å; A840-A844 WeakPolarHBondContact O-CB 3.34Å; A840-A844 PolarHBondContact O-N 3.18Å; L841-A844 PolarHBondContact O-N 3.37Å; A842-A844 VanDerWaalsContact C-N 3.33Å; A842-A844 PolarHBondContact O-N 3.46Å
845V93.1Very high87.2Confident3 Ų372.9 Ų72.92%0.01839%0.39CS..Hα-helixtrans-94.9-5.3177-590000113.3V628 V630 A812 L816 A842 K843 I847V628-V845 HydrophobicContact CG1-CB 4.36Å; V628-V845 WeakPolarHBondContact CG1-O 3.36Å; V630-V845 HydrophobicContact CG1-CG1 3.9Å; V630-V845 HydrophobicContact CG1-CG2 4.06Å; A812-V845 HydrophobicContact CB-CB 4.16Å; A812-V845 HydrophobicContact CB-CG1 3.86Å; L816-V845 HydrophobicContact CD1-CG1 4.09Å; L816-V845 HydrophobicContact CD2-CG1 3.76Å; L816-V845 HydrophobicContact CG-CG1 3.71Å; A842-V845 VanDerWaalsContact O-CG2 3.24Å; A842-V845 WeakPolarHBondContact O-CG2 3.22Å; A842-V845 PolarHBondContact O-N 3.06Å; K843-V845 VanDerWaalsContact C-N 3.26Å; K843-V845 PolarHBondContact O-N 3.48Å; V845-I847 PolarHBondContact O-N 3.47Å
846Q92.9Very high89.7Confident134 Ų13469.9 Ų69.963%0.62636%0.356SS*.PPolyproline II helixtrans-72.9122.5177.6-168.5174.78.100109.9T537 A842 K843T537-Q846 WeakPolarHBondContact CB-O 3.27Å; A842-Q846 PolarHBondContact O-N 3.43Å; K843-Q846 WeakPolarHBondContact O-CB 3.4Å; K843-Q846 PolarHBondContact O-N 3.02Å
847I94.6Very high91.6Very high14 Ų1463.7 Ų63.77%0.07233%0.332CS..PPolyproline II helixtrans-83.1153.6179.759.5-176.9000111.5V845 T851 L852 Y856V845-I847 PolarHBondContact O-N 3.47Å; I847-T851 HydrophobicContact CB-CG2 4.2Å; I847-T851 HydrophobicContact CD1-CG2 4.38Å; I847-L852 HydrophobicContact CD1-CD2 3.88Å; I847-L852 HydrophobicContact CD1-CG 4.45Å; I847-L852 HydrophobicContact CG1-CD2 3.52Å; I847-L852 HydrophobicContact CG1-CG 4.11Å; I847-Y856 HydrophobicContact CD1-CD1 4.28Å; I847-Y856 HydrophobicContact CD1-CE1 3.62Å; I847-Y856 HydrophobicContact CG2-CE1 4.24Å; I847-Y856 HydrophobicContact CG2-CE2 3.96Å
848H97.4Very high92.4Very high33 Ų3359.3 Ų59.315%0.15331%0.309CS..PPolyproline II helixtrans-61.5152.2178.7-171.5-96.1000111D536 L538 G540 D850 T851 L852D536-H848 PolarHBondContact O-N 3.04Å; L538-H848 PolarHBondContact O-CD2 3.45Å; L538-H848 VanDerWaalsContact O-CD2 3.24Å; G540-H848 WeakPolarHBondContact CA-ND1 3.49Å; H848-D850 VanDerWaalsContact C-N 3.31Å; H848-D850 IonicContact CE1-OD2 3.33Å; H848-D850 PolarHBondContact CE1-OD2 3.46Å; H848-D850 PolarHBondContact ND1-N 3.26Å; H848-D850 IonicContact ND1-OD2 3.19Å; H848-D850 PolarHBondContact ND1-OD2 2.9Å; H848-D850 PolarHBondContact O-N 2.84Å; H848-T851 WeakPolarHBondContact O-CA 3.33Å; H848-T851 WeakPolarHBondContact O-CB 3.5Å; H848-T851 PolarHBondContact O-N 3.05Å; H848-L852 PolarHBondContact O-N 2.82Å; H848-L852 VanDerWaalsContact O-N 3.14Å
849H94.6Very high93.1Very high127 Ų12757.4 Ų57.459%0.58829%0.293SS*.G310 helixtrans-56.3-43.1-176.870.7-89.1000113T851 L852H849-T851 PolarHBondContact O-N 2.9Å; H849-L852 HydrophobicContact CB-CD1 4.49Å; H849-L852 WeakPolarHBondContact O-CB 3.32Å; H849-L852 PolarHBondContact O-N 3.12Å
850D94.1Very high93.5Very high80 Ų8052.7 Ų52.743%0.42827%0.272SS..G310 helixtrans-64.3-21.4174.8-64.9-35.2000113.7H848 T854H848-D850 VanDerWaalsContact C-N 3.31Å; H848-D850 IonicContact CE1-OD2 3.33Å; H848-D850 PolarHBondContact CE1-OD2 3.46Å; H848-D850 PolarHBondContact ND1-N 3.26Å; H848-D850 IonicContact ND1-OD2 3.19Å; H848-D850 PolarHBondContact ND1-OD2 2.9Å; H848-D850 PolarHBondContact O-N 2.84Å; D850-T854 VanDerWaalsContact O-CG2 3.31Å; D850-T854 WeakPolarHBondContact O-CG2 3.41Å
851T96.4Very high93.9Very high5 Ų552.4 Ų52.43%0.03126%0.261CS..G310 helixtrans-90.2-22.2-179.4-57.90000112.6D536 G540 I847 H848 H849 R853 T854 Y856D536-T851 HydrophobicContact CB-CG2 4.39Å; D536-T851 PolarHBondContact O-OG1 3.41Å; G540-T851 VanDerWaalsContact CA-OG1 3.27Å; G540-T851 WeakPolarHBondContact CA-OG1 3.18Å; I847-T851 HydrophobicContact CB-CG2 4.2Å; I847-T851 HydrophobicContact CD1-CG2 4.38Å; H848-T851 WeakPolarHBondContact O-CA 3.33Å; H848-T851 WeakPolarHBondContact O-CB 3.5Å; H848-T851 PolarHBondContact O-N 3.05Å; H849-T851 PolarHBondContact O-N 2.9Å; T851-R853 PolarHBondContact O-N 3.42Å; T851-T854 PolarHBondContact O-N 2.93Å; T851-T854 PolarHBondContact O-OG1 2.94Å; T851-Y856 HydrophobicContact CG2-CD1 3.71Å; T851-Y856 HydrophobicContact CG2-CD2 4.26Å; T851-Y856 HydrophobicContact CG2-CE1 4.46Å; T851-Y856 HydrophobicContact CG2-CG 3.61Å
852L93.9Very high94.3Very high87 Ų8754.1 Ų54.146%0.45527%0.269SS..THydrogen-bonded Turntrans-52.5-34.2-177-73.2168.7000113.7I847 H848 H849I847-L852 HydrophobicContact CD1-CD2 3.88Å; I847-L852 HydrophobicContact CD1-CG 4.45Å; I847-L852 HydrophobicContact CG1-CD2 3.52Å; I847-L852 HydrophobicContact CG1-CG 4.11Å; H848-L852 PolarHBondContact O-N 2.82Å; H848-L852 VanDerWaalsContact O-N 3.14Å; H849-L852 HydrophobicContact CB-CD1 4.49Å; H849-L852 WeakPolarHBondContact O-CB 3.32Å; H849-L852 PolarHBondContact O-N 3.12Å
853R94.2Very high94.6Very high145 Ų14554.6 Ų54.655%0.54726%0.262SS..THydrogen-bonded Turntrans-100.213.1-175.9-57.6-178.1-174.3154.611.2114T851T851-R853 PolarHBondContact O-N 3.42Å
854T96.5Very high95Very high36 Ų3647.8 Ų47.822%0.22123%0.234CC..SBendtrans-112.4158-174.173.90000111.7D850 T851 Y856D850-T854 VanDerWaalsContact O-CG2 3.31Å; D850-T854 WeakPolarHBondContact O-CG2 3.41Å; T851-T854 PolarHBondContact O-N 2.93Å; T851-T854 PolarHBondContact O-OG1 2.94Å; T854-Y856 PolarHBondContact O-N 3.4Å; T854-Y856 PolarHBondContact OG1-N 2.88Å
855M98.3Very high95.3Very high4 Ų448.6 Ų48.62%0.0223%0.229CC..  trans-89.850.7169.8-69.5-177.475.700111.1V568 R623 Y624 V790 Y804 F857 A858V568-M855 HydrophobicContact CG1-CB 3.55Å; V568-M855 HydrophobicContact CG1-CE 3.98Å; V568-M855 HydrophobicContact CG1-CG 4.08Å; V568-M855 HydrophobicContact CG1-SD 3.5Å; V568-M855 WeakPolarHBondContact CG1-SD 3.38Å; R623-M855 HydrophobicContact CB-SD 4.49Å; Y624-M855 HydrophobicContact CD2-CE 4.39Å; Y624-M855 PolarHBondContact N-SD 3.12Å; Y624-M855 VanDerWaalsContact N-SD 3.41Å; Y624-M855 WeakPolarHBondContact O-CG 3.38Å; V790-M855 HydrophobicContact CG2-CE 4.3Å; Y804-M855 HydrophobicContact CD2-CE 4.33Å; Y804-M855 HydrophobicContact CE1-CE 4.1Å; Y804-M855 HydrophobicContact CE2-CE 3.86Å; M855-F857 HydrophobicContact CB-CE1 4.34Å; M855-F857 HydrophobicContact CB-CE2 4.42Å; M855-F857 HydrophobicContact CB-CZ 4.07Å; M855-F857 HydrophobicContact CE-CE2 3.93Å; M855-F857 HydrophobicContact CE-CZ 4.05Å; M855-F857 HydrophobicContact CG-CE1 4.36Å; M855-F857 HydrophobicContact CG-CE2 4.47Å; M855-F857 HydrophobicContact CG-CZ 3.87Å; M855-F857 PolarHBondContact O-N 3.39Å; M855-F857 VanDerWaalsContact O-N 3.08Å; M855-A858 HydrophobicContact CB-CB 4.42Å; M855-A858 WeakPolarHBondContact O-CB 3.34Å; M855-A858 PolarHBondContact O-N 3.31Å
856Y98.2Very high95.5Very high10 Ų1052.2 Ų52.24%0.03925%0.246CC..THydrogen-bonded Turntrans-55.6-28.1-178.372-78.7000113.7D536 A626 R811 I847 T851 T854 A858D536-Y856 HydrophobicContact CB-CD2 3.89Å; D536-Y856 HydrophobicContact CB-CE2 4.35Å; A626-Y856 HydrophobicContact CB-CE1 4.27Å; R811-Y856 HydrophobicContact CB-CE2 4.43Å; R811-Y856 HydrophobicContact CG-CD2 4.13Å; R811-Y856 HydrophobicContact CG-CE2 3.65Å; R811-Y856 PolarHBondContact NH1-O 2.6Å; R811-Y856 PolarHBondContact NH2-O 3.08Å; I847-Y856 HydrophobicContact CD1-CD1 4.28Å; I847-Y856 HydrophobicContact CD1-CE1 3.62Å; I847-Y856 HydrophobicContact CG2-CE1 4.24Å; I847-Y856 HydrophobicContact CG2-CE2 3.96Å; T851-Y856 HydrophobicContact CG2-CD1 3.71Å; T851-Y856 HydrophobicContact CG2-CD2 4.26Å; T851-Y856 HydrophobicContact CG2-CE1 4.46Å; T851-Y856 HydrophobicContact CG2-CG 3.61Å; T854-Y856 PolarHBondContact O-N 3.4Å; T854-Y856 PolarHBondContact OG1-N 2.88Å; Y856-A858 PolarHBondContact O-N 3.06Å
857F97.7Very high95.7Very high3 Ų345.3 Ų45.31%0.01321%0.214CC..THydrogen-bonded Turntrans-69.6-13.3178.152.4-94.6000113.8A626 Y804 L807 V808 R811 M855A626-F857 HydrophobicContact CB-CD1 3.95Å; A626-F857 HydrophobicContact CB-CE1 3.69Å; Y804-F857 HydrophobicContact CD1-CD2 4.23Å; Y804-F857 AromaticContact CD1-CE2 3.73Å; Y804-F857 HydrophobicContact CD1-CE2 3.73Å; Y804-F857 HydrophobicContact CD2-CE2 4.44Å; Y804-F857 HydrophobicContact CE1-CE2 4.46Å; Y804-F857 HydrophobicContact CG-CD2 4.5Å; Y804-F857 AromaticContact CG-CE2 3.72Å; Y804-F857 HydrophobicContact CG-CE2 3.72Å; L807-F857 HydrophobicContact CB-CB 4.27Å; L807-F857 HydrophobicContact CB-CD2 4.38Å; V808-F857 HydrophobicContact CG2-CB 3.78Å; V808-F857 HydrophobicContact CG2-CD1 3.44Å; V808-F857 VanDerWaalsContact CG2-CD1 3.44Å; V808-F857 HydrophobicContact CG2-CD2 4.14Å; V808-F857 HydrophobicContact CG2-CE1 4.01Å; V808-F857 HydrophobicContact CG2-CG 3.51Å; R811-F857 PolarHBondContact NH2-O 3.17Å; M855-F857 HydrophobicContact CB-CE1 4.34Å; M855-F857 HydrophobicContact CB-CE2 4.42Å; M855-F857 HydrophobicContact CB-CZ 4.07Å; M855-F857 HydrophobicContact CE-CE2 3.93Å; M855-F857 HydrophobicContact CE-CZ 4.05Å; M855-F857 HydrophobicContact CG-CE1 4.36Å; M855-F857 HydrophobicContact CG-CE2 4.47Å; M855-F857 HydrophobicContact CG-CZ 3.87Å; M855-F857 PolarHBondContact O-N 3.39Å; M855-F857 VanDerWaalsContact O-N 3.08Å
858A93.1Very high95.9Very high0 Ų048.2 Ų48.20%023%0.227CC..  trans-64.40-176.100000115.7K565 V568 K569 R791 M855 Y856K565-A858 PolarHBondContact NZ-O 3.35Å; K565-A858 PolarHBondContact NZ-OXT 3.2Å; V568-A858 HydrophobicContact CG1-CB 4.09Å; K569-A858 WeakPolarHBondContact CE-O 3.46Å; K569-A858 HydrophobicContact CG-CB 4.47Å; K569-A858 PolarHBondContact NZ-O 3.22Å; R791-A858 WeakPolarHBondContact CD-OXT 3.46Å; R791-A858 WeakPolarHBondContact CG-OXT 3.46Å; R791-A858 PolarHBondContact NE-OXT 2.94Å; M855-A858 HydrophobicContact CB-CB 4.42Å; M855-A858 WeakPolarHBondContact O-CB 3.34Å; M855-A858 PolarHBondContact O-N 3.31Å; Y856-A858 PolarHBondContact O-N 3.06Å

Retrieved 858 of 858 residues in 844 ms (Link to these results)

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