A0A087YCD3_POEFO Loading...

Inositol polyphosphate-4-phosphatase type I Aa

AlphaFold DB , UniProt , Accession A0A087YCD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 837 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
1M39.8Very low74.3Confident241 Ų241121.5 Ų121.5100%1.18763%0.629SS**  0115.40-162.4-174.9-88.400105.9
2Y48.2Very low75.1Confident228 Ų228123.3 Ų123.389%0.89463%0.629SS**  trans-91.4128.7-176.5-69.9-87.2000109.7L4Y2-L4 PolarHBondContact O-N 3.44Å
3M64.6Low75.7Confident169 Ų169121.5 Ų121.583%0.83362%0.616SS**  trans-77.1116176.3-176.7-176.7-63.800109
4L73.4Confident76.3Confident150 Ų150113.7 Ų113.779%0.78558%0.577SS**  trans-74.8-32.2-175.8-68.3168.6000112.8Y2 V34Y2-L4 PolarHBondContact O-N 3.44Å; L4-V34 WeakPolarHBondContact O-CG2 3.38Å
5G82.2Confident76.4Confident18 Ų18112.9 Ų112.919%0.18657%0.574CS.*  trans172.3172.3177.200000111.7L26 R27G5-L26 WeakPolarHBondContact O-CD2 3.5Å; G5-R27 CarbonylContact C-O 3.12Å; G5-R27 WeakPolarHBondContact CA-O 3.23Å
6S83.7Confident76.6Confident73 Ų73114.1 Ų114.151%0.5158%0.577SS.*BIsolated β-bridgetrans-133.5159178.568.30000111.8R27S6-R27 PolarHBondContact N-O 3Å; S6-R27 PolarHBondContact O-N 3.15Å
7S88.3Confident76.9Confident49 Ų49110.6 Ų110.634%0.34356%0.56SS.*  trans-150.4146.6173.5-157.70000108.5T25S7-T25 WeakPolarHBondContact CB-O 3.48Å; S7-T25 PolarHBondContact OG-O 3Å
8M84.4Confident76.7Confident182 Ų182114.9 Ų114.990%0.89757%0.574SS**  trans-126.5141-179.3-64.3-168.1-63.200109.7
9F88.6Confident76.6Confident76 Ų76116.8 Ų116.833%0.33358%0.581SS.*  trans-144.3156.1174.572.2-78.4000108.9L14 L22 L24 V39F9-L14 HydrophobicContact CD2-CB 4.26Å; F9-L14 HydrophobicContact CE2-CB 3.98Å; F9-L14 HydrophobicContact CE2-CD2 3.88Å; F9-L14 HydrophobicContact CE2-CG 4.5Å; F9-L14 HydrophobicContact CZ-CD2 4.42Å; F9-L22 HydrophobicContact CB-CD1 4.21Å; F9-L22 HydrophobicContact CD2-CD1 3.67Å; F9-L22 HydrophobicContact CE2-CD1 4.41Å; F9-L22 HydrophobicContact CG-CD1 4.17Å; F9-L24 HydrophobicContact CB-CD1 3.97Å; F9-L24 HydrophobicContact CB-CD2 4.03Å; F9-L24 HydrophobicContact CD1-CD1 3.42Å; F9-L24 VanDerWaalsContact CD1-CD1 3.42Å; F9-L24 HydrophobicContact CE1-CD1 4.17Å; F9-L24 HydrophobicContact CG-CD1 3.88Å; F9-V39 HydrophobicContact CE1-CG1 4.34Å; F9-V39 HydrophobicContact CE1-CG2 4.12Å; F9-V39 HydrophobicContact CE2-CG1 4.35Å; F9-V39 HydrophobicContact CZ-CG1 3.82Å; F9-V39 HydrophobicContact CZ-CG2 4.41Å
10S86.6Confident77Confident51 Ų51113.9 Ų113.936%0.35757%0.565SS.*  trans-89.3141.4171.372.70000110.4K12 E13 L14S10-K12 PolarHBondContact O-N 3.4Å; S10-K12 VanDerWaalsContact O-N 3.11Å; S10-E13 PolarHBondContact N-OE2 3.15Å; S10-E13 WeakPolarHBondContact O-CB 3.34Å; S10-E13 PolarHBondContact O-N 3Å; S10-E13 VanDerWaalsContact OG-CG 3.22Å; S10-E13 WeakPolarHBondContact OG-CG 3.23Å; S10-E13 PolarHBondContact OG-N 2.83Å; S10-E13 PolarHBondContact OG-OE2 3.08Å; S10-L14 PolarHBondContact O-N 3.25Å
11V78.1Confident77.3Confident99 Ų99113.7 Ų113.760%0.656%0.558SS**Hα-helixtrans-57.3-30.5175178.80000111E13 L14 L15V11-E13 PolarHBondContact O-N 2.92Å; V11-L14 PolarHBondContact O-N 2.82Å; V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 HydrophobicContact CG1-CG 4.19Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 3.33Å
12K84Confident79.6Confident143 Ų143103.7 Ų103.762%0.62251%0.51SS*.Hα-helixtrans-59.3-42.7174.8-172179.1177.9-176.10112.4S10 L14 L15 Q16S10-K12 PolarHBondContact O-N 3.4Å; S10-K12 VanDerWaalsContact O-N 3.11Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L14 PolarHBondContact O-N 3.41Å; K12-L15 PolarHBondContact O-N 3.22Å; K12-Q16 HydrophobicContact CG-CG 4.47Å; K12-Q16 WeakPolarHBondContact O-CB 3.48Å; K12-Q16 VanDerWaalsContact O-CG 3.22Å; K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.49Å
13E82.6Confident81.5Confident100 Ų10098.9 Ų98.947%0.46750%0.495SS..Hα-helixtrans-64.8-37.6177.4-73.5157.6159.900111.8S10 V11 L15 Q16 D17 L22S10-E13 PolarHBondContact N-OE2 3.15Å; S10-E13 WeakPolarHBondContact O-CB 3.34Å; S10-E13 PolarHBondContact O-N 3Å; S10-E13 VanDerWaalsContact OG-CG 3.22Å; S10-E13 WeakPolarHBondContact OG-CG 3.23Å; S10-E13 PolarHBondContact OG-N 2.83Å; S10-E13 PolarHBondContact OG-OE2 3.08Å; V11-E13 PolarHBondContact O-N 2.92Å; E13-L15 VanDerWaalsContact C-N 3.35Å; E13-Q16 PolarHBondContact O-N 2.82Å; E13-D17 PolarHBondContact O-N 2.65Å; E13-L22 HydrophobicContact CB-CD1 4.12Å
14L83.6Confident82.7Confident13 Ų1392.2 Ų92.27%0.06846%0.463CS..Hα-helixtrans-67.8-37.1178.2-175.962.9000112F9 S10 V11 K12 H20 L22 V39 A41F9-L14 HydrophobicContact CD2-CB 4.26Å; F9-L14 HydrophobicContact CE2-CB 3.98Å; F9-L14 HydrophobicContact CE2-CD2 3.88Å; F9-L14 HydrophobicContact CE2-CG 4.5Å; F9-L14 HydrophobicContact CZ-CD2 4.42Å; S10-L14 PolarHBondContact O-N 3.25Å; V11-L14 PolarHBondContact O-N 2.82Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L14 PolarHBondContact O-N 3.41Å; L14-H20 VanDerWaalsContact CD1-O 3.26Å; L14-H20 WeakPolarHBondContact CD1-O 3.49Å; L14-H20 WeakPolarHBondContact O-CA 3.48Å; L14-L22 HydrophobicContact CB-CD1 3.73Å; L14-L22 HydrophobicContact CB-CG 4.31Å; L14-L22 HydrophobicContact CD1-CB 4.06Å; L14-L22 HydrophobicContact CD1-CD1 3.97Å; L14-L22 HydrophobicContact CD1-CG 3.74Å; L14-L22 HydrophobicContact CG-CD1 4.45Å; L14-V39 HydrophobicContact CD1-CB 4.46Å; L14-V39 HydrophobicContact CD1-CG1 4.25Å; L14-V39 HydrophobicContact CD2-CG1 3.77Å; L14-A41 HydrophobicContact CD1-CB 4.45Å; L14-A41 HydrophobicContact CD2-CB 3.59Å; L14-A41 HydrophobicContact CG-CB 3.78Å
15L78.6Confident83.4Confident101 Ų10187.3 Ų87.353%0.52944%0.439SS..Hα-helixtrans-80.9-16.4179.3-63.7177.3000113.5V11 K12 E13 A41V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 HydrophobicContact CG1-CG 4.19Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 3.33Å; K12-L15 PolarHBondContact O-N 3.22Å; E13-L15 VanDerWaalsContact C-N 3.35Å; L15-A41 HydrophobicContact CD2-CB 4.43Å
16Q79.2Confident83.6Confident133 Ų13388 Ų8862%0.62144%0.438SS*.Hα-helixtrans-87.1-20.5174.6-77179.7-21.400112.9K12 E13K12-Q16 HydrophobicContact CG-CG 4.47Å; K12-Q16 WeakPolarHBondContact O-CB 3.48Å; K12-Q16 VanDerWaalsContact O-CG 3.22Å; K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.49Å; E13-Q16 PolarHBondContact O-N 2.82Å
17D80.9Confident83.7Confident54 Ų5489.9 Ų89.929%0.28943%0.434SS..SBendtrans-67.2132.8174.7-177-97.1000111E13 H19 H20 R21E13-D17 PolarHBondContact O-N 2.65Å; D17-H19 PolarHBondContact O-N 2.98Å; D17-H19 VanDerWaalsContact O-N 3.09Å; D17-H19 WeakPolarHBondContact OD1-CA 3.39Å; D17-H19 PolarHBondContact OD1-N 2.98Å; D17-H20 PolarHBondContact O-N 2.74Å; D17-H20 PolarHBondContact OD1-N 3.35Å; D17-R21 VanDerWaalsContact CG-O 3.28Å; D17-R21 PolarHBondContact OD1-N 3.32Å
18K73.5Confident83.3Confident188 Ų18888.7 Ų88.782%0.81743%0.426SS*.THydrogen-bonded Turntrans-60.1-25.4-174.6-70.5-175.1178.6-1790113.6
19H76.1Confident82.9Confident152 Ų15285.5 Ų85.570%0.70443%0.428SS*.THydrogen-bonded Turntrans-109.912179.3-60.6-59.5000112.1D17 R21D17-H19 PolarHBondContact O-N 2.98Å; D17-H19 VanDerWaalsContact O-N 3.09Å; D17-H19 WeakPolarHBondContact OD1-CA 3.39Å; D17-H19 PolarHBondContact OD1-N 2.98Å; H19-R21 HydrophobicContact CB-CB 4.38Å; H19-R21 PolarHBondContact O-N 3.49Å; H19-R21 VanDerWaalsContact O-N 3.15Å
20H83.3Confident82.5Confident57 Ų5789.4 Ų89.426%0.26445%0.448SS..SBendtrans50.535.1-175.1-62.296.6000112.1L14 D17 I40 A41L14-H20 VanDerWaalsContact CD1-O 3.26Å; L14-H20 WeakPolarHBondContact CD1-O 3.49Å; L14-H20 WeakPolarHBondContact O-CA 3.48Å; D17-H20 PolarHBondContact O-N 2.74Å; D17-H20 PolarHBondContact OD1-N 3.35Å; H20-I40 CarbonylContact O-C 3.58Å; H20-I40 VanDerWaalsContact O-CA 3.3Å; H20-I40 WeakPolarHBondContact O-CA 3.31Å; H20-A41 HydrophobicContact CB-CB 4.05Å; H20-A41 WeakPolarHBondContact CB-O 3.32Å; H20-A41 PolarHBondContact O-N 2.96Å
21R84.4Confident81.9Confident111 Ų11192 Ų9242%0.41946%0.458SS..EExtended strand (participates in β ladder)trans-130.8122.5-171.6176.1167.8-179.81657.6111.1D17 H19 H23 T38 V39 I40D17-R21 VanDerWaalsContact CG-O 3.28Å; D17-R21 PolarHBondContact OD1-N 3.32Å; H19-R21 HydrophobicContact CB-CB 4.38Å; H19-R21 PolarHBondContact O-N 3.49Å; H19-R21 VanDerWaalsContact O-N 3.15Å; R21-H23 PolarHBondContact NE-CE1 3Å; R21-H23 PolarHBondContact NE-NE2 3.39Å; R21-T38 HydrophobicContact CG-CG2 3.86Å; R21-T38 VanDerWaalsContact NE-CG2 3.27Å; R21-V39 CarbonylContact C-O 3.46Å; R21-V39 VanDerWaalsContact CA-O 3.29Å; R21-V39 WeakPolarHBondContact CA-O 3.46Å; R21-I40 HydrophobicContact CB-CG1 4.23Å; R21-I40 HydrophobicContact CG-CD1 4.44Å; R21-I40 HydrophobicContact CG-CG1 3.87Å
22L88.2Confident82.1Confident31 Ų3193.3 Ų93.316%0.16246%0.457CS..EExtended strand (participates in β ladder)trans-112.6137.1174.9-72.4176.1000111.6F9 E13 L14 L24 T38 V39F9-L22 HydrophobicContact CB-CD1 4.21Å; F9-L22 HydrophobicContact CD2-CD1 3.67Å; F9-L22 HydrophobicContact CE2-CD1 4.41Å; F9-L22 HydrophobicContact CG-CD1 4.17Å; E13-L22 HydrophobicContact CB-CD1 4.12Å; L14-L22 HydrophobicContact CB-CD1 3.73Å; L14-L22 HydrophobicContact CB-CG 4.31Å; L14-L22 HydrophobicContact CD1-CB 4.06Å; L14-L22 HydrophobicContact CD1-CD1 3.97Å; L14-L22 HydrophobicContact CD1-CG 3.74Å; L14-L22 HydrophobicContact CG-CD1 4.45Å; L22-L24 HydrophobicContact CB-CD2 4.48Å; L22-L24 HydrophobicContact CB-CG 4.49Å; L22-T38 CarbonylContact O-C 3.59Å; L22-T38 WeakPolarHBondContact O-CA 3.39Å; L22-V39 PolarHBondContact N-O 3.22Å; L22-V39 PolarHBondContact O-N 2.98Å
23H86.8Confident82.3Confident127 Ų12794.4 Ų94.459%0.58846%0.457SS*.EExtended strand (participates in β ladder)trans-105111.5170.2-70.3-76.4000109.3R21 T38R21-H23 PolarHBondContact NE-CE1 3Å; R21-H23 PolarHBondContact NE-NE2 3.39Å; H23-T38 VanDerWaalsContact CE1-CG2 3.48Å; H23-T38 WeakPolarHBondContact CE1-CG2 3.26Å; H23-T38 PolarHBondContact CE1-OG1 3.38Å; H23-T38 VanDerWaalsContact CE1-OG1 3.3Å; H23-T38 PolarHBondContact ND1-OG1 2.98Å
24L89.7Confident82.5Confident29 Ų2993.1 Ų93.115%0.15246%0.456CS..EExtended strand (participates in β ladder)trans-108.3140.4-175.9-59.8177.1000110.4F9 L22 N36 I37 V39F9-L24 HydrophobicContact CB-CD1 3.97Å; F9-L24 HydrophobicContact CB-CD2 4.03Å; F9-L24 HydrophobicContact CD1-CD1 3.42Å; F9-L24 VanDerWaalsContact CD1-CD1 3.42Å; F9-L24 HydrophobicContact CE1-CD1 4.17Å; F9-L24 HydrophobicContact CG-CD1 3.88Å; L22-L24 HydrophobicContact CB-CD2 4.48Å; L22-L24 HydrophobicContact CB-CG 4.49Å; L24-N36 CarbonylContact O-C 3.59Å; L24-N36 VanDerWaalsContact O-CA 3.24Å; L24-N36 WeakPolarHBondContact O-CA 3.37Å; L24-I37 PolarHBondContact N-O 3.45Å; L24-I37 PolarHBondContact O-N 3.46Å; L24-V39 HydrophobicContact CD1-CG2 3.85Å
25T88.8Confident82.7Confident47 Ų4793.6 Ų93.629%0.28846%0.464SS..EExtended strand (participates in β ladder)trans-89.1128.6171.7-57.70000108.8S7 R33S7-T25 WeakPolarHBondContact CB-O 3.48Å; S7-T25 PolarHBondContact OG-O 3Å; T25-R33 HydrophobicContact CG2-CB 4.26Å; T25-R33 HydrophobicContact CG2-CG 3.53Å
26L87Confident83.2Confident33 Ų3393.5 Ų93.517%0.17346%0.464CS..EExtended strand (participates in β ladder)trans-78.6132.5171-86.3164.7000109.5G5 V34 G35 I37G5-L26 WeakPolarHBondContact O-CD2 3.5Å; L26-V34 HydrophobicContact CB-CG2 3.85Å; L26-V34 WeakPolarHBondContact O-CG2 3.47Å; L26-V34 PolarHBondContact O-N 3.23Å; L26-G35 PolarHBondContact N-O 3.16Å; L26-I37 HydrophobicContact CD1-CD1 3.62Å; L26-I37 HydrophobicContact CD1-CG1 3.54Å; L26-I37 HydrophobicContact CD2-CD1 3.51Å; L26-I37 HydrophobicContact CD2-CG1 4.28Å; L26-I37 HydrophobicContact CG-CD1 3.5Å; L26-I37 HydrophobicContact CG-CG1 3.69Å
27R85.1Confident83.5Confident111 Ų11190.6 Ų90.642%0.41945%0.452SS..EExtended strand (participates in β ladder)trans-120.5140.8177.4-61.8-169174.5-1002.8111.8G5 S6 N31 E32G5-R27 CarbonylContact C-O 3.12Å; G5-R27 WeakPolarHBondContact CA-O 3.23Å; S6-R27 PolarHBondContact N-O 3Å; S6-R27 PolarHBondContact O-N 3.15Å; R27-N31 WeakPolarHBondContact CD-OD1 3.4Å; R27-N31 PolarHBondContact NH1-O 2.89Å; R27-E32 CarbonylContact C-O 3.52Å; R27-E32 WeakPolarHBondContact CA-O 3.31Å
28S80.7Confident83.8Confident24 Ų2491.1 Ų91.117%0.16846%0.457CS..  trans-67.8174174.271.80000111.2E30 N31 E32S28-E30 PolarHBondContact O-N 3.46Å; S28-E30 PolarHBondContact OG-N 3.34Å; S28-N31 WeakPolarHBondContact O-CA 3.45Å; S28-N31 PolarHBondContact O-N 2.87Å; S28-N31 PolarHBondContact OG-N 3.32Å; S28-E32 PolarHBondContact N-O 2.89Å; S28-E32 PolarHBondContact OG-N 3.03Å; S28-E32 VanDerWaalsContact OG-N 3.14Å
29A74.5Confident84.3Confident115 Ų11583.7 Ų83.795%0.9543%0.428SS*.THydrogen-bonded Turntrans-60.6-23.9171.500000112.8N31A29-N31 VanDerWaalsContact C-N 3.27Å
30E80.3Confident84.7Confident159 Ų15980.1 Ų80.174%0.74341%0.413SS*.THydrogen-bonded Turntrans-90.511.1175.3-66.3160.1-168.900112S28 E32S28-E30 PolarHBondContact O-N 3.46Å; S28-E30 PolarHBondContact OG-N 3.34Å; E30-E32 HydrophobicContact CB-CG 4.48Å; E30-E32 PolarHBondContact O-N 2.87Å
31N75.3Confident84.5Confident106 Ų10678.7 Ų78.757%0.56741%0.411SS*.  trans66.314.1178.2-156.432.4000115.2R27 S28 A29R27-N31 WeakPolarHBondContact CD-OD1 3.4Å; R27-N31 PolarHBondContact NH1-O 2.89Å; S28-N31 WeakPolarHBondContact O-CA 3.45Å; S28-N31 PolarHBondContact O-N 2.87Å; S28-N31 PolarHBondContact OG-N 3.32Å; A29-N31 VanDerWaalsContact C-N 3.27Å
32E81.9Confident83.4Confident125 Ų12584 Ų8458%0.58443%0.431SS*.  trans-79.1145.5176.8-61-161.6147.900111.8R27 S28 E30 V34R27-E32 CarbonylContact C-O 3.52Å; R27-E32 WeakPolarHBondContact CA-O 3.31Å; S28-E32 PolarHBondContact N-O 2.89Å; S28-E32 PolarHBondContact OG-N 3.03Å; S28-E32 VanDerWaalsContact OG-N 3.14Å; E30-E32 HydrophobicContact CB-CG 4.48Å; E30-E32 PolarHBondContact O-N 2.87Å; E32-V34 PolarHBondContact O-N 3.1Å
33R87.2Confident81.6Confident166 Ų16690.6 Ų90.663%0.62646%0.461SS*.EExtended strand (participates in β ladder)trans-72.1117.2178.6177.6172.6-168.8-168.97.7110.1T25 N36T25-R33 HydrophobicContact CG2-CB 4.26Å; T25-R33 HydrophobicContact CG2-CG 3.53Å; R33-N36 PolarHBondContact NE-OD1 3.18Å; R33-N36 PolarHBondContact NH2-ND2 3.09Å; R33-N36 VanDerWaalsContact NH2-ND2 3.2Å; R33-N36 PolarHBondContact NH2-OD1 3.02Å
34V87.3Confident79.7Confident73 Ų7391.5 Ų91.544%0.44247%0.469SS..EExtended strand (participates in β ladder)trans-115.8-7-177.2-67.10000113.8L4 L26 E32L4-V34 WeakPolarHBondContact O-CG2 3.38Å; L26-V34 HydrophobicContact CB-CG2 3.85Å; L26-V34 WeakPolarHBondContact O-CG2 3.47Å; L26-V34 PolarHBondContact O-N 3.23Å; E32-V34 PolarHBondContact O-N 3.1Å
35G87.6Confident77Confident24 Ų2499.2 Ų99.225%0.24751%0.505CS..EExtended strand (participates in β ladder)trans168.3-170.3175.900000113.2L26L26-G35 PolarHBondContact N-O 3.16Å
36N88.8Confident74.3Confident99 Ų99105.7 Ų105.753%0.52953%0.531SS..EExtended strand (participates in β ladder)trans-130.6144.8173.3-55.6-40.5000110.2L24 R33L24-N36 CarbonylContact O-C 3.59Å; L24-N36 VanDerWaalsContact O-CA 3.24Å; L24-N36 WeakPolarHBondContact O-CA 3.37Å; R33-N36 PolarHBondContact NE-OD1 3.18Å; R33-N36 PolarHBondContact NH2-ND2 3.09Å; R33-N36 VanDerWaalsContact NH2-ND2 3.2Å; R33-N36 PolarHBondContact NH2-OD1 3.02Å
37I86.7Confident71.6Confident72 Ų72114.2 Ų114.237%0.36957%0.567SS.*EExtended strand (participates in β ladder)trans-117.3141171.5-72.8174.2000108.2L24 L26 V39L24-I37 PolarHBondContact N-O 3.45Å; L24-I37 PolarHBondContact O-N 3.46Å; L26-I37 HydrophobicContact CD1-CD1 3.62Å; L26-I37 HydrophobicContact CD1-CG1 3.54Å; L26-I37 HydrophobicContact CD2-CD1 3.51Å; L26-I37 HydrophobicContact CD2-CG1 4.28Å; L26-I37 HydrophobicContact CG-CD1 3.5Å; L26-I37 HydrophobicContact CG-CG1 3.69Å; I37-V39 HydrophobicContact CG2-CG2 3.91Å
38T87.1Confident69.1Low64 Ų64117.7 Ų117.739%0.39359%0.588SS.*EExtended strand (participates in β ladder)trans-111.8128.3169-54.80000109R21 L22 H23 I40R21-T38 HydrophobicContact CG-CG2 3.86Å; R21-T38 VanDerWaalsContact NE-CG2 3.27Å; L22-T38 CarbonylContact O-C 3.59Å; L22-T38 WeakPolarHBondContact O-CA 3.39Å; H23-T38 VanDerWaalsContact CE1-CG2 3.48Å; H23-T38 WeakPolarHBondContact CE1-CG2 3.26Å; H23-T38 PolarHBondContact CE1-OG1 3.38Å; H23-T38 VanDerWaalsContact CE1-OG1 3.3Å; H23-T38 PolarHBondContact ND1-OG1 2.98Å; T38-I40 HydrophobicContact CG2-CD1 4.46Å; T38-I40 HydrophobicContact CG2-CG1 4.15Å
39V83.2Confident66.5Low33 Ų33125.6 Ų125.620%0.262%0.622CS.*EExtended strand (participates in β ladder)trans-113129.9178.2-173.60000108.3F9 L14 R21 L22 L24 I37F9-V39 HydrophobicContact CE1-CG1 4.34Å; F9-V39 HydrophobicContact CE1-CG2 4.12Å; F9-V39 HydrophobicContact CE2-CG1 4.35Å; F9-V39 HydrophobicContact CZ-CG1 3.82Å; F9-V39 HydrophobicContact CZ-CG2 4.41Å; L14-V39 HydrophobicContact CD1-CB 4.46Å; L14-V39 HydrophobicContact CD1-CG1 4.25Å; L14-V39 HydrophobicContact CD2-CG1 3.77Å; R21-V39 CarbonylContact C-O 3.46Å; R21-V39 VanDerWaalsContact CA-O 3.29Å; R21-V39 WeakPolarHBondContact CA-O 3.46Å; L22-V39 PolarHBondContact N-O 3.22Å; L22-V39 PolarHBondContact O-N 2.98Å; L24-V39 HydrophobicContact CD1-CG2 3.85Å; I37-V39 HydrophobicContact CG2-CG2 3.91Å
40I85.9Confident64.3Low77 Ų77128.9 Ų128.940%0.39562%0.618SS.*EExtended strand (participates in β ladder)trans-127.9124.3-179.5-51176.6000108.6H20 R21 T38H20-I40 CarbonylContact O-C 3.58Å; H20-I40 VanDerWaalsContact O-CA 3.3Å; H20-I40 WeakPolarHBondContact O-CA 3.31Å; R21-I40 HydrophobicContact CB-CG1 4.23Å; R21-I40 HydrophobicContact CG-CD1 4.44Å; R21-I40 HydrophobicContact CG-CG1 3.87Å; T38-I40 HydrophobicContact CG2-CD1 4.46Å; T38-I40 HydrophobicContact CG2-CG1 4.15Å
41A77.5Confident61.8Low27 Ų27133.4 Ų133.422%0.22363%0.628CS.*  trans-95.1142.117100000110.7L14 L15 H20L14-A41 HydrophobicContact CD1-CB 4.45Å; L14-A41 HydrophobicContact CD2-CB 3.59Å; L14-A41 HydrophobicContact CG-CB 3.78Å; L15-A41 HydrophobicContact CD2-CB 4.43Å; H20-A41 HydrophobicContact CB-CB 4.05Å; H20-A41 WeakPolarHBondContact CB-O 3.32Å; H20-A41 PolarHBondContact O-N 2.96Å
42W62.8Low59.5Low221 Ų221132.8 Ų132.884%0.83764%0.637SS**  trans-121.9125.8-179.2-66.362.1000108
43Q50Low57Low170 Ų170133 Ų13379%0.79465%0.65SS**  trans-81.8127.2176.9-169.5172.32.400109.4
44I45.5Very low54.1Low147 Ų147131.9 Ų131.975%0.75466%0.661SS**  trans-86.6120.5174-64.6171.2000106.9E46I44-E46 PolarHBondContact O-N 3.49Å
45E34.1Very low51.2Low191 Ų191132.6 Ų132.689%0.89367%0.674SS**  trans-68.1112.9170.7-80.8-174.9159.800109.8
46E32.4Very low48.5Very low182 Ų182143.1 Ų143.185%0.8571%0.707SS**PPolyproline II helixtrans-85.7125.3168.4-72.6-175161.800110I44I44-E46 PolarHBondContact O-N 3.49Å
47K29.9Very low45.6Very low212 Ų212146.7 Ų146.792%0.92273%0.725SS**PPolyproline II helixtrans-74.4126.8165.8-87.1-172.8174.6-176.40109.8
48H31.7Very low42.7Very low184 Ų184152.3 Ų152.385%0.85275%0.749SS**PPolyproline II helixtrans-68.8121.9179.8-139.7-86.2000111.4
49E27.6Very low39.9Very low190 Ų190161.2 Ų161.289%0.88878%0.776SS**  trans-158.6108.5152.7-112.9168.1-153.800113
50Q27.9Very low37.5Very low184 Ų184162.7 Ų162.786%0.8680%0.798SS**  trans30.1106.1152.5-60.8-176.92.100123.1
51R28.1Very low34.7Very low255 Ų255166.9 Ų166.996%0.96282%0.821SS**  trans17121.1140.6-72.5-179.9175.2171.3-1.1121.4
52A25.4Very low32.3Very low92 Ų92171.9 Ų171.976%0.7685%0.849SS**  -166.9153.8118.700000111
53P29.5Very low30.9Very low131 Ų131166.1 Ų166.185%0.85184%0.838SS**PPolyproline II helixtrans-93.5131.5-154.634.8-30.6000114
54V27.2Very low29.8Very low142 Ų142165.4 Ų165.486%0.86184%0.84SS**PPolyproline II helixtrans-102.8136.2171.8178.60000110.5
55A26.9Very low29.4Very low87 Ų87162.4 Ų162.472%0.71985%0.845SS**PPolyproline II helixtrans-59.3154.1178.700000114.1L57A55-L57 PolarHBondContact O-N 3.01Å
56R29.7Very low29.3Very low246 Ų246162.5 Ų162.593%0.92884%0.837SS**  trans-38.6119.4173.6-71.2171.8170.8167.1-3.5113.5
57L27.4Very low29Very low174 Ų174162 Ų16291%0.91184%0.837SS**PPolyproline II helixtrans-93.9125.7159.5-94.1159000109.9A55A55-L57 PolarHBondContact O-N 3.01Å
58Q26.8Very low29Very low189 Ų189158 Ų15888%0.88383%0.83SS**PPolyproline II helixtrans-70.5155.4177.3-70.8175.3-3.200111.5
59R28.2Very low29.1Very low251 Ų251155.9 Ų155.995%0.94782%0.824SS**PPolyproline II helixtrans-76.5134.3-174.6179.6-168.7-98.3-146.9-4.3111.2
60G33.3Very low29.2Very low64 Ų64152.4 Ų152.466%0.6682%0.818SS**  trans107.3114.2142.100000116.7
61D25.9Very low29.8Very low165 Ų165148.7 Ų148.788%0.88281%0.807SS**  trans-148.6101.3143.1-98.2-24.1000109.8
62T28.6Very low30.2Very low133 Ų133140.7 Ų140.782%0.81678%0.784SS**  trans-95.2121.516541.40000108.5
63V32.4Very low30.6Very low99 Ų99144.1 Ų144.160%0.678%0.784SS**  trans-104.9118.8168.8-179.50000108.9G65V63-G65 PolarHBondContact O-N 3.26Å
64N28.1Very low31.1Very low156 Ų156141.1 Ų141.183%0.83477%0.766SS**THydrogen-bonded Turntrans56.240.3171.8-70.1-8.3000117.5R66N64-R66 PolarHBondContact O-N 3.23Å
65G35.6Very low31.7Very low83 Ų83137.8 Ų137.886%0.85674%0.743SS**THydrogen-bonded Turntrans62.415.5163.500000116.3V63V63-G65 PolarHBondContact O-N 3.26Å
66R33.7Very low32.5Very low193 Ų193137.8 Ų137.873%0.72873%0.734SS**  trans-114130.9169.6-74.8-174.4178.8-179.70.2109.6N64 V68N64-R66 PolarHBondContact O-N 3.23Å; R66-V68 PolarHBondContact O-N 3.38Å
67M26Very low32.9Very low173 Ų173127.5 Ų127.585%0.85271%0.705SS**  trans-63.8114.5175.4-162.5-178.1-7500108.6L69M67-L69 PolarHBondContact O-N 3.43Å
68V30Very low33.3Very low127 Ų127121 Ų12177%0.7767%0.674SS**  trans-77.4107.8168.8178.50000106R66R66-V68 PolarHBondContact O-N 3.38Å
69L32Very low33.8Very low140 Ų140118.8 Ų118.873%0.73367%0.674SS**PPolyproline II helixtrans-63.9132170.7-73.2171.1000108.4M67M67-L69 PolarHBondContact O-N 3.43Å
70P30.6Very low34.4Very low117 Ų117109.2 Ų109.276%0.7665%0.648SS**PPolyproline II helixtrans-57.6145.6173.6-16.928.8000110D72P70-D72 PolarHBondContact O-N 3.4Å
71V39.5Very low34.7Very low106 Ų106113.5 Ų113.564%0.64265%0.654SS**PPolyproline II helixtrans-55.9124.1171.1176.90000108.2E73 T76V71-E73 PolarHBondContact O-N 2.88Å; V71-E73 VanDerWaalsContact O-N 3.09Å; V71-T76 HydrophobicContact CG1-CG2 4.46Å
72D37Very low35.5Very low87 Ų87113.7 Ų113.747%0.46565%0.647SS.*  trans-62.5110.2168.6-175.3-11.6000108.2P70 S74 L75P70-D72 PolarHBondContact O-N 3.4Å; D72-S74 PolarHBondContact O-N 3.34Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.5Å; D72-S74 PolarHBondContact OD1-N 3.48Å; D72-S74 VanDerWaalsContact OD1-N 3.07Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-S74 PolarHBondContact OD2-OG 2.88Å; D72-S74 VanDerWaalsContact OD2-OG 3.07Å; D72-L75 HydrophobicContact CB-CD1 3.99Å; D72-L75 HydrophobicContact CB-CG 4.18Å; D72-L75 WeakPolarHBondContact O-CB 3.32Å; D72-L75 PolarHBondContact O-N 3.38Å
73E35.3Very low36.5Very low163 Ų163107.9 Ų107.976%0.76261%0.612SS**G310 helixtrans-59.6-23.1-179-79.7-169.7148.600112.2V71 L75 T76 G77V71-E73 PolarHBondContact O-N 2.88Å; V71-E73 VanDerWaalsContact O-N 3.09Å; E73-L75 PolarHBondContact O-N 3.19Å; E73-T76 PolarHBondContact O-N 3.43Å; E73-T76 VanDerWaalsContact O-N 3.08Å; E73-T76 PolarHBondContact O-OG1 3.1Å; E73-G77 PolarHBondContact O-N 2.92Å
74S38.7Very low37.3Very low69 Ų69108.8 Ų108.848%0.48361%0.608SS.*G310 helixtrans-64-21.8173.976.60000113.2D72 G77 S78D72-S74 PolarHBondContact O-N 3.34Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.5Å; D72-S74 PolarHBondContact OD1-N 3.48Å; D72-S74 VanDerWaalsContact OD1-N 3.07Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-S74 PolarHBondContact OD2-OG 2.88Å; D72-S74 VanDerWaalsContact OD2-OG 3.07Å; S74-G77 CarbonylContact O-C 3.57Å; S74-G77 PolarHBondContact O-N 2.98Å; S74-S78 PolarHBondContact O-N 3.38Å
75L40.5Very low38.4Very low72 Ų72103.4 Ų103.438%0.37758%0.583SS.*G310 helixtrans-82-17.1175.2-66.1171.8000113.4D72 E73 T105D72-L75 HydrophobicContact CB-CD1 3.99Å; D72-L75 HydrophobicContact CB-CG 4.18Å; D72-L75 WeakPolarHBondContact O-CB 3.32Å; D72-L75 PolarHBondContact O-N 3.38Å; E73-L75 PolarHBondContact O-N 3.19Å; L75-T105 HydrophobicContact CD1-CG2 4.16Å
76T43.9Very low39.6Very low86 Ų86100.2 Ų100.253%0.52855%0.547SS..THydrogen-bonded Turntrans-89.9-20.3165.1730000111.5V71 E73 K90V71-T76 HydrophobicContact CG1-CG2 4.46Å; E73-T76 PolarHBondContact O-N 3.43Å; E73-T76 VanDerWaalsContact O-N 3.08Å; E73-T76 PolarHBondContact O-OG1 3.1Å; T76-K90 WeakPolarHBondContact O-CE 3.47Å; T76-K90 PolarHBondContact O-NZ 3.36Å
77G38.1Very low41.5Very low30 Ų3091.6 Ų91.631%0.30952%0.517SS..  trans-122.660.8-174.300000113.5E73 S74 T79E73-G77 PolarHBondContact O-N 2.92Å; S74-G77 CarbonylContact O-C 3.57Å; S74-G77 PolarHBondContact O-N 2.98Å; G77-T79 PolarHBondContact O-N 3.05Å
78S35.2Very low43.9Very low37 Ų3783.4 Ų83.426%0.25948%0.476SS..  trans-63.6124158.6154.80000108.5S74 A80 S83S74-S78 PolarHBondContact O-N 3.38Å; S78-A80 PolarHBondContact O-N 3.12Å; S78-A80 PolarHBondContact OG-N 3.21Å; S78-S83 WeakPolarHBondContact CB-OG 3.19Å; S78-S83 PolarHBondContact O-OG 3.32Å; S78-S83 VanDerWaalsContact OG-CB 3.23Å; S78-S83 WeakPolarHBondContact OG-CB 3.37Å; S78-S83 PolarHBondContact OG-OG 2.96Å
79T37.2Very low46Very low144 Ų14480.5 Ų80.588%0.88346%0.461SS*.SBendtrans-72.84.3178.531.10000113.6G77G77-T79 PolarHBondContact O-N 3.05Å
80A40.7Very low48.1Very low49 Ų4978.2 Ų78.241%0.40545%0.445SS..SBendtrans-82.2126.8170.500000110.8S78 K82 S83S78-A80 PolarHBondContact O-N 3.12Å; S78-A80 PolarHBondContact OG-N 3.21Å; A80-K82 PolarHBondContact O-N 3.22Å; A80-S83 PolarHBondContact O-N 2.95Å; A80-S83 PolarHBondContact O-OG 3.31Å
81I39.9Very low50.6Low155 Ų15572.9 Ų72.980%0.79541%0.41SS*.Hα-helixtrans-52.4-29.3178.4-65.8168.1000112.4
82K41.9Very low52.6Low168 Ų16870.9 Ų70.973%0.7340%0.399SS*.Hα-helixtrans-72.2-25.2176.4-70.8-175.5177.4178.90115.2A80 S85A80-K82 PolarHBondContact O-N 3.22Å; K82-S85 PolarHBondContact O-OG 3.3Å
83S49.5Very low54.9Low12 Ų1266.9 Ų66.98%0.08438%0.378CS..Hα-helixtrans-79.4-28.4-178.274.30000112.5S78 A80S78-S83 WeakPolarHBondContact CB-OG 3.19Å; S78-S83 PolarHBondContact O-OG 3.32Å; S78-S83 VanDerWaalsContact OG-CB 3.23Å; S78-S83 WeakPolarHBondContact OG-CB 3.37Å; S78-S83 PolarHBondContact OG-OG 2.96Å; A80-S83 PolarHBondContact O-N 2.95Å; A80-S83 PolarHBondContact O-OG 3.31Å
84K49.8Very low57.4Low117 Ų11759.1 Ų59.151%0.50934%0.341SS..Hα-helixtrans-72.3-38175.7-66.7-176.4-178.4178.40112.1S86 S87K84-S86 VanDerWaalsContact C-N 3.34Å; K84-S86 PolarHBondContact O-N 2.97Å; K84-S87 PolarHBondContact O-N 2.87Å
85S51.4Low59.7Low44 Ų4461.2 Ų61.231%0.30834%0.342SS..Hα-helixtrans-66.6-28.7-175.748.60000114.3K82 D91 R554K82-S85 PolarHBondContact O-OG 3.3Å; S85-D91 WeakPolarHBondContact O-CB 3.31Å; S85-D91 VanDerWaalsContact O-OD2 3.05Å; S85-R554 VanDerWaalsContact CB-NH2 3.34Å; S85-R554 PolarHBondContact O-NE 3.08Å; S85-R554 PolarHBondContact O-NH2 3.47Å
86S60.3Low62Low15 Ų1558.1 Ų58.111%0.10533%0.327CS..THydrogen-bonded Turntrans-91.8-14.6179.554.40000112.1K84 L88 L94 R215 R217K84-S86 VanDerWaalsContact C-N 3.34Å; K84-S86 PolarHBondContact O-N 2.97Å; S86-L88 PolarHBondContact O-N 3.48Å; S86-L94 VanDerWaalsContact O-CD1 3.23Å; S86-L94 WeakPolarHBondContact O-CD1 3.27Å; S86-R215 PolarHBondContact O-NH1 3.23Å; S86-R217 VanDerWaalsContact CB-NH2 3.25Å; S86-R217 PolarHBondContact O-NH2 2.92Å; S86-R217 PolarHBondContact OG-NH1 2.71Å; S86-R217 PolarHBondContact OG-NH2 3.11Å
87S73.9Confident64.2Low13 Ų1354.2 Ų54.29%0.09130%0.303CS..  trans-58.1131.3-168.6176.70000113.7K84 C89 K90 D91K84-S87 PolarHBondContact O-N 2.87Å; S87-C89 PolarHBondContact O-N 3.01Å; S87-C89 VanDerWaalsContact O-N 3.15Å; S87-C89 PolarHBondContact OG-N 3.37Å; S87-C89 PolarHBondContact OG-SG 3.09Å; S87-K90 PolarHBondContact O-N 2.83Å; S87-K90 PolarHBondContact OG-N 2.98Å; S87-D91 WeakPolarHBondContact O-CB 3.46Å; S87-D91 PolarHBondContact O-N 3.37Å
88L76.8Confident66.6Low0 Ų053.2 Ų53.20%029%0.291CS..THydrogen-bonded Turntrans-61.4-22.5177.1-65.5173.8000113.3S86 L94 V101 Q121 A123 R215 L551S86-L88 PolarHBondContact O-N 3.48Å; L88-L94 HydrophobicContact CD2-CD1 4.19Å; L88-V101 HydrophobicContact CB-CG1 4.34Å; L88-V101 HydrophobicContact CB-CG2 4.05Å; L88-V101 HydrophobicContact CD1-CG1 4.23Å; L88-Q121 HydrophobicContact CD1-CB 4.09Å; L88-A123 HydrophobicContact CD1-CB 4.14Å; L88-R215 HydrophobicContact CD1-CB 4.28Å; L88-L551 HydrophobicContact CD2-CD2 3.98Å
89C73.3Confident69Low67 Ų6752.2 Ų52.245%0.45329%0.286SS..THydrogen-bonded Turntrans-109.8-19.4-177.160.50000114.4S87S87-C89 PolarHBondContact O-N 3.01Å; S87-C89 VanDerWaalsContact O-N 3.15Å; S87-C89 PolarHBondContact OG-N 3.37Å; S87-C89 PolarHBondContact OG-SG 3.09Å
90K76.5Confident71.3Confident92 Ų9247.5 Ų47.540%0.427%0.267SS..THydrogen-bonded Turntrans-105.1-26.1-178.4-56.7-175.7174.9-177.30113.3T76 S87T76-K90 WeakPolarHBondContact O-CE 3.47Å; T76-K90 PolarHBondContact O-NZ 3.36Å; S87-K90 PolarHBondContact O-N 2.83Å; S87-K90 PolarHBondContact OG-N 2.98Å
91D82.7Confident73.5Confident5 Ų547.7 Ų47.73%0.02726%0.263CS..SBendtrans-75.3125.8176.6-177-100.6000110.5S85 S87 M93 L94 K95 R554S85-D91 WeakPolarHBondContact O-CB 3.31Å; S85-D91 VanDerWaalsContact O-OD2 3.05Å; S87-D91 WeakPolarHBondContact O-CB 3.46Å; S87-D91 PolarHBondContact O-N 3.37Å; D91-M93 VanDerWaalsContact C-N 3.32Å; D91-M93 PolarHBondContact O-N 2.88Å; D91-M93 WeakPolarHBondContact OD1-CB 3.42Å; D91-M93 PolarHBondContact OD1-N 3.04Å; D91-M93 VanDerWaalsContact OD1-N 3.13Å; D91-L94 HydrophobicContact CB-CB 4.14Å; D91-L94 HydrophobicContact CB-CD1 4.34Å; D91-L94 HydrophobicContact CB-CG 4.19Å; D91-L94 PolarHBondContact O-N 3.48Å; D91-L94 PolarHBondContact OD1-N 3.33Å; D91-K95 WeakPolarHBondContact O-CB 3.48Å; D91-K95 PolarHBondContact O-N 2.67Å; D91-R554 IonicContact OD1-NE 2.73Å; D91-R554 PolarHBondContact OD1-NE 2.81Å; D91-R554 IonicContact OD2-CZ 3.1Å; D91-R554 IonicContact OD2-NE 2.85Å; D91-R554 PolarHBondContact OD2-NE 3.44Å; D91-R554 IonicContact OD2-NH2 3.54Å; D91-R554 PolarHBondContact OD2-NH2 3.34Å
92P81.9Confident75.8Confident64 Ų6441.8 Ų41.842%0.41623%0.232SC..Hα-helixtrans-58.7-40.3-176.2-25.634.2000113.7A96P92-A96 PolarHBondContact O-N 3.42Å
93M85.3Confident77.9Confident2 Ų236.5 Ų36.51%0.0122%0.216CC..Hα-helixtrans-69.2-46.4-179.7-179-171.2174.100110.7D91 A96 A550 L553 R554 M617 V632 V634 M638D91-M93 VanDerWaalsContact C-N 3.32Å; D91-M93 PolarHBondContact O-N 2.88Å; D91-M93 WeakPolarHBondContact OD1-CB 3.42Å; D91-M93 PolarHBondContact OD1-N 3.04Å; D91-M93 VanDerWaalsContact OD1-N 3.13Å; M93-A96 PolarHBondContact O-N 2.92Å; M93-A550 HydrophobicContact CE-CB 4.17Å; M93-A550 WeakPolarHBondContact CE-O 3.37Å; M93-L553 HydrophobicContact CE-CD2 4.2Å; M93-R554 HydrophobicContact CE-CB 4.44Å; M93-R554 HydrophobicContact SD-CB 3.93Å; M93-R554 HydrophobicContact SD-CG 4.4Å; M93-M617 HydrophobicContact CB-CE 3.99Å; M93-M617 HydrophobicContact CG-CE 4.3Å; M93-V632 HydrophobicContact CE-CG1 3.97Å; M93-V634 HydrophobicContact CE-CG1 4.01Å; M93-V634 HydrophobicContact SD-CG1 3.9Å; M93-M638 HydrophobicContact CB-CE 4.49Å; M93-M638 HydrophobicContact SD-CE 4.07Å
94L88.4Confident79.7Confident0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-70.9-37.3179.7-59.1-176000112.5S86 L88 D91 A96 V97 C98 L551 R554S86-L94 VanDerWaalsContact O-CD1 3.23Å; S86-L94 WeakPolarHBondContact O-CD1 3.27Å; L88-L94 HydrophobicContact CD2-CD1 4.19Å; D91-L94 HydrophobicContact CB-CB 4.14Å; D91-L94 HydrophobicContact CB-CD1 4.34Å; D91-L94 HydrophobicContact CB-CG 4.19Å; D91-L94 PolarHBondContact O-N 3.48Å; D91-L94 PolarHBondContact OD1-N 3.33Å; L94-A96 PolarHBondContact O-N 3.48Å; L94-V97 WeakPolarHBondContact O-CG2 3.24Å; L94-V97 PolarHBondContact O-N 2.91Å; L94-V97 VanDerWaalsContact O-N 3.16Å; L94-C98 WeakPolarHBondContact O-CB 3.04Å; L94-C98 PolarHBondContact O-N 3.45Å; L94-C98 PolarHBondContact O-SG 3.33Å; L94-L551 HydrophobicContact CD2-CD2 3.88Å; L94-R554 HydrophobicContact CD1-CG 3.95Å; L94-R554 HydrophobicContact CD2-CB 3.87Å; L94-R554 HydrophobicContact CD2-CG 3.86Å; L94-R554 HydrophobicContact CG-CB 4.4Å; L94-R554 HydrophobicContact CG-CG 3.83Å
95K87.2Confident81.5Confident114 Ų11438.3 Ų38.350%0.49623%0.225SC..Hα-helixtrans-62.6-30.8176.7-173.6-174-178.7-177.20112.2D91D91-K95 WeakPolarHBondContact O-CB 3.48Å; D91-K95 PolarHBondContact O-N 2.67Å
96A87.3Confident83.2Confident7 Ų737 Ų376%0.05821%0.213CC..Hα-helixtrans-69-34.2176.200000112.4P92 M93 L94 M617 L618P92-A96 PolarHBondContact O-N 3.42Å; M93-A96 PolarHBondContact O-N 2.92Å; L94-A96 PolarHBondContact O-N 3.48Å; A96-M617 HydrophobicContact CB-CB 3.72Å; A96-L618 WeakPolarHBondContact O-CD2 3.43Å
97V90.1Very high84.6Confident3 Ų344.7 Ų44.72%0.01824%0.24CC..Hα-helixtrans-99.3-18.1-176.3-56.60000114L94 V126 L127 A550L94-V97 WeakPolarHBondContact O-CG2 3.24Å; L94-V97 PolarHBondContact O-N 2.91Å; L94-V97 VanDerWaalsContact O-N 3.16Å; V97-V126 PolarHBondContact O-N 2.84Å; V97-L127 HydrophobicContact CB-CD1 4.29Å; V97-L127 HydrophobicContact CB-CD2 4.44Å; V97-L127 HydrophobicContact CB-CG 4.21Å; V97-L127 HydrophobicContact CG1-CD1 4.32Å; V97-L127 HydrophobicContact CG1-CD2 4.12Å; V97-L127 HydrophobicContact CG1-CG 4.36Å; V97-A550 HydrophobicContact CG2-CB 4.45Å
98C89.1Confident85.3Confident9 Ų944.7 Ų44.76%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-110.4135-177.7-52.40000111.8L94 A123 E124 I213L94-C98 WeakPolarHBondContact O-CB 3.04Å; L94-C98 PolarHBondContact O-N 3.45Å; L94-C98 PolarHBondContact O-SG 3.33Å; C98-A123 HydrophobicContact CB-CB 4.13Å; C98-E124 CarbonylContact C-O 3.51Å; C98-E124 WeakPolarHBondContact CA-O 3.27Å; C98-I213 HydrophobicContact CB-CD1 4.29Å; C98-I213 WeakPolarHBondContact SG-CD1 3.33Å
99G86.7Confident85.9Confident16 Ų1646.8 Ų46.817%0.16525%0.252CS..EExtended strand (participates in β ladder)trans-127.8167.6173.300000112.3V101 E124G99-V101 VanDerWaalsContact C-N 3.29Å; G99-V101 PolarHBondContact O-N 3.25Å; G99-V101 VanDerWaalsContact O-N 3.12Å; G99-E124 PolarHBondContact N-O 2.83Å; G99-E124 PolarHBondContact O-N 2.91Å
100G84.3Confident86.5Confident46 Ų4644.1 Ų44.147%0.47423%0.234SC..EExtended strand (participates in β ladder)trans5636.716800000115.5M102G100-M102 PolarHBondContact O-N 3.44Å
101V87.3Confident87Confident52 Ų5244.1 Ų44.132%0.31524%0.241SC..EExtended strand (participates in β ladder)trans-63.8129.3-174.7-172.20000110.7L88 G99 M122 A123L88-V101 HydrophobicContact CB-CG1 4.34Å; L88-V101 HydrophobicContact CB-CG2 4.05Å; L88-V101 HydrophobicContact CD1-CG1 4.23Å; G99-V101 VanDerWaalsContact C-N 3.29Å; G99-V101 PolarHBondContact O-N 3.25Å; G99-V101 VanDerWaalsContact O-N 3.12Å; V101-M122 CarbonylContact C-O 3.6Å; V101-M122 WeakPolarHBondContact CA-O 3.36Å; V101-A123 HydrophobicContact CB-CB 4.49Å; V101-A123 HydrophobicContact CG2-CB 3.91Å
102M87.3Confident87Confident32 Ų3248.9 Ų48.916%0.15827%0.267CS..EExtended strand (participates in β ladder)trans-121.5156.2169.663.2-178.668.400110G100 Q121 M122 C797 E800 K804G100-M102 PolarHBondContact O-N 3.44Å; M102-Q121 CarbonylContact O-C 3.6Å; M102-Q121 WeakPolarHBondContact O-CA 3.2Å; M102-M122 HydrophobicContact CE-CE 3.33Å; M102-M122 HydrophobicContact CG-CB 3.71Å; M102-M122 HydrophobicContact CG-CE 4.4Å; M102-M122 WeakPolarHBondContact CG-O 3.42Å; M102-M122 PolarHBondContact N-O 3.49Å; M102-M122 PolarHBondContact O-N 3.13Å; M102-M122 HydrophobicContact SD-CB 4.01Å; M102-M122 HydrophobicContact SD-CE 3.32Å; M102-M122 WeakPolarHBondContact SD-CE 3.36Å; M102-C797 HydrophobicContact CG-CB 4.19Å; M102-C797 HydrophobicContact SD-CB 4.02Å; M102-E800 HydrophobicContact CE-CB 3.71Å; M102-E800 HydrophobicContact SD-CB 3.43Å; M102-E800 WeakPolarHBondContact SD-CB 3.3Å; M102-E800 HydrophobicContact SD-CG 3.97Å; M102-K804 HydrophobicContact CE-CD 4.11Å; M102-K804 VanDerWaalsContact CE-CE 3.4Å
103S86.5Confident86.8Confident56 Ų5648.7 Ų48.739%0.39228%0.276SS..EExtended strand (participates in β ladder)trans-146.7154.1-179.361.60000113.5E120S103-E120 CarbonylContact C-O 3.55Å; S103-E120 WeakPolarHBondContact CA-O 3.39Å; S103-E120 WeakPolarHBondContact CB-O 3.39Å
104R87.7Confident86.8Confident107 Ų10751.3 Ų51.340%0.40429%0.29SS..EExtended strand (participates in β ladder)trans-138139.6173.9-70.3-67.1-169.5-134.8-2.9108.8Y106 L119 E120 E795 E800R104-Y106 HydrophobicContact CB-CE2 3.97Å; R104-L119 CarbonylContact O-C 3.57Å; R104-E120 PolarHBondContact N-O 3.06Å; R104-E120 PolarHBondContact O-N 3.34Å; R104-E795 PolarHBondContact NE-O 2.81Å; R104-E800 IonicContact NH2-OE1 3.49Å
105T86.8Confident86.6Confident61 Ų6156.8 Ų56.837%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-115.1138.1178.6-56.10000109.6L75 V118 L119L75-T105 HydrophobicContact CD1-CG2 4.16Å; T105-V118 CarbonylContact C-O 3.59Å; T105-V118 VanDerWaalsContact CA-O 3.26Å; T105-V118 WeakPolarHBondContact CA-O 3.46Å; T105-L119 WeakPolarHBondContact OG1-CD1 3.44Å
106Y87.3Confident86.5Confident16 Ų1652 Ų526%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-126.1154.4179.8-49.1-83.4000110.8R104 F108 V118 E120 M792 G796R104-Y106 HydrophobicContact CB-CE2 3.97Å; Y106-F108 HydrophobicContact CD1-CZ 4.05Å; Y106-F108 HydrophobicContact CD2-CE2 4.5Å; Y106-F108 HydrophobicContact CG-CE2 4.02Å; Y106-F108 AromaticContact CG-CZ 3.81Å; Y106-F108 HydrophobicContact CG-CZ 3.81Å; Y106-V118 HydrophobicContact CD2-CB 4.39Å; Y106-V118 HydrophobicContact CD2-CG1 4.4Å; Y106-V118 PolarHBondContact N-O 2.91Å; Y106-V118 PolarHBondContact O-N 3.46Å; Y106-E120 HydrophobicContact CE2-CB 3.68Å; Y106-E120 WeakPolarHBondContact CE2-OE2 3.28Å; Y106-E120 PolarHBondContact OH-OE2 2.76Å; Y106-M792 HydrophobicContact CD2-CG 4.5Å; Y106-M792 HydrophobicContact CE1-CG 4.18Å; Y106-M792 HydrophobicContact CE2-CE 4.29Å; Y106-M792 HydrophobicContact CE2-CG 4.1Å; Y106-G796 WeakPolarHBondContact OH-CA 3.44Å
107R89.8Confident86.6Confident177 Ų17756.8 Ų56.867%0.66831%0.312SS*.EExtended strand (participates in β ladder)trans-123.7122.2167-67.4-175.1-176.7-178.41.6109L116 R117R107-L116 VanDerWaalsContact CA-O 3.24Å; R107-L116 WeakPolarHBondContact CA-O 3.48Å; R107-R117 HydrophobicContact CG-CG 4.35Å
108F89.1Confident86.6Confident13 Ų1356.7 Ų56.76%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-123.8138.5179.1-60.1-55.3000110.4Y106 H115 L116 V118 L774 M780 A788 M792Y106-F108 HydrophobicContact CD1-CZ 4.05Å; Y106-F108 HydrophobicContact CD2-CE2 4.5Å; Y106-F108 HydrophobicContact CG-CE2 4.02Å; Y106-F108 AromaticContact CG-CZ 3.81Å; Y106-F108 HydrophobicContact CG-CZ 3.81Å; F108-H115 CarbonylContact O-C 3.57Å; F108-H115 WeakPolarHBondContact O-CA 3.32Å; F108-L116 PolarHBondContact N-O 3.49Å; F108-L116 VanDerWaalsContact N-O 3.09Å; F108-L116 PolarHBondContact O-N 3.35Å; F108-V118 HydrophobicContact CD2-CG2 3.97Å; F108-V118 HydrophobicContact CE2-CG2 4.31Å; F108-L774 HydrophobicContact CD2-CD1 4.01Å; F108-L774 HydrophobicContact CE2-CD1 3.99Å; F108-M780 HydrophobicContact CB-CG 4.2Å; F108-M780 HydrophobicContact CB-SD 4.25Å; F108-M780 HydrophobicContact CD2-SD 4.36Å; F108-M780 HydrophobicContact CG-SD 4.31Å; F108-A788 HydrophobicContact CD1-CB 3.79Å; F108-A788 HydrophobicContact CD2-CB 4.4Å; F108-A788 HydrophobicContact CE1-CB 3.51Å; F108-A788 HydrophobicContact CE2-CB 4.14Å; F108-A788 HydrophobicContact CG-CB 4.24Å; F108-A788 HydrophobicContact CZ-CB 3.69Å; F108-M792 HydrophobicContact CE2-SD 4.42Å; F108-M792 HydrophobicContact CZ-CG 4.22Å
109P88.6Confident86.6Confident43 Ų4357.8 Ų57.828%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-68.5142.1178.128-34.6000111.6N114 A781 V784P109-N114 WeakPolarHBondContact CA-O 3.49Å; P109-A781 WeakPolarHBondContact O-CB 3.45Å; P109-A781 PolarHBondContact O-N 3.06Å; P109-V784 HydrophobicContact CG-CB 4.15Å; P109-V784 HydrophobicContact CG-CG1 3.42Å; P109-V784 VanDerWaalsContact CG-CG1 3.42Å; P109-V784 HydrophobicContact CG-CG2 3.84Å
110T87.4Confident86.8Confident12 Ų1257 Ų577%0.07431%0.308CS..BIsolated β-bridgetrans-95167.4172.8420000111.6D112 G113 N114 L116 A779T110-D112 WeakPolarHBondContact CB-OD1 3.29Å; T110-D112 PolarHBondContact O-N 3.37Å; T110-D112 PolarHBondContact OG1-OD1 2.94Å; T110-G113 PolarHBondContact O-N 3Å; T110-N114 PolarHBondContact N-O 2.94Å; T110-N114 VanDerWaalsContact OG1-CA 3.3Å; T110-N114 WeakPolarHBondContact OG1-CA 3.44Å; T110-N114 WeakPolarHBondContact OG1-CB 3.45Å; T110-N114 PolarHBondContact OG1-N 3.46Å; T110-N114 VanDerWaalsContact OG1-N 3.16Å; T110-N114 PolarHBondContact OG1-O 3.41Å; T110-L116 HydrophobicContact CG2-CB 4.49Å; T110-L116 HydrophobicContact CG2-CD1 4.11Å; T110-L116 HydrophobicContact CG2-CD2 3.3Å; T110-L116 HydrophobicContact CG2-CG 3.32Å; T110-A779 VanDerWaalsContact CA-O 3.29Å; T110-A779 WeakPolarHBondContact CA-O 3.15Å
111T86.1Confident87.2Confident92 Ų9255.5 Ų55.556%0.56429%0.289SS*.THydrogen-bonded Turntrans-64.8-21.7177.851.60000114.5A779T111-A779 PolarHBondContact N-O 3.15Å
112D83.7Confident87.6Confident105 Ų10553.1 Ų53.156%0.56127%0.274SS*.THydrogen-bonded Turntrans-89.83178.363.2-7.6000113.4T110 N114T110-D112 WeakPolarHBondContact CB-OD1 3.29Å; T110-D112 PolarHBondContact O-N 3.37Å; T110-D112 PolarHBondContact OG1-OD1 2.94Å; D112-N114 VanDerWaalsContact CG-ND2 3.31Å; D112-N114 WeakPolarHBondContact OD1-CB 3.49Å; D112-N114 PolarHBondContact OD1-N 3.27Å; D112-N114 PolarHBondContact OD2-ND2 3.07Å
113G77.8Confident87.9Confident59 Ų5951.6 Ų51.661%0.60827%0.267SS*.SBendtrans88-0.8179.600000115T110T110-G113 PolarHBondContact O-N 3Å
114N84.7Confident88.3Confident58 Ų5849.9 Ų49.931%0.3125%0.253SS..  trans-82.9-170.7173.7-66-41.4000112.3P109 T110 D112 E221P109-N114 WeakPolarHBondContact CA-O 3.49Å; T110-N114 PolarHBondContact N-O 2.94Å; T110-N114 VanDerWaalsContact OG1-CA 3.3Å; T110-N114 WeakPolarHBondContact OG1-CA 3.44Å; T110-N114 WeakPolarHBondContact OG1-CB 3.45Å; T110-N114 PolarHBondContact OG1-N 3.46Å; T110-N114 VanDerWaalsContact OG1-N 3.16Å; T110-N114 PolarHBondContact OG1-O 3.41Å; D112-N114 VanDerWaalsContact CG-ND2 3.31Å; D112-N114 WeakPolarHBondContact OD1-CB 3.49Å; D112-N114 PolarHBondContact OD1-N 3.27Å; D112-N114 PolarHBondContact OD2-ND2 3.07Å; N114-E221 WeakPolarHBondContact CB-OE1 3.4Å; N114-E221 PolarHBondContact ND2-OE1 2.88Å; N114-E221 PolarHBondContact ND2-OE2 3.24Å; N114-E221 PolarHBondContact OD1-OE1 3Å
115H83.9Confident88.6Confident114 Ų11444.8 Ų44.853%0.52823%0.234SC..EExtended strand (participates in β ladder)trans-128.8126.2178.3-67.273.8000112F108F108-H115 CarbonylContact O-C 3.57Å; F108-H115 WeakPolarHBondContact O-CA 3.32Å
116L86.1Confident88.8Confident13 Ų1344 Ų447%0.06823%0.229CC..EExtended strand (participates in β ladder)trans-70.6135.7165.2-61.4-178.5000110.1R107 F108 T110 V118 L774 H778 M780R107-L116 VanDerWaalsContact CA-O 3.24Å; R107-L116 WeakPolarHBondContact CA-O 3.48Å; F108-L116 PolarHBondContact N-O 3.49Å; F108-L116 VanDerWaalsContact N-O 3.09Å; F108-L116 PolarHBondContact O-N 3.35Å; T110-L116 HydrophobicContact CG2-CB 4.49Å; T110-L116 HydrophobicContact CG2-CD1 4.11Å; T110-L116 HydrophobicContact CG2-CD2 3.3Å; T110-L116 HydrophobicContact CG2-CG 3.32Å; L116-V118 HydrophobicContact CB-CG2 4.32Å; L116-L774 HydrophobicContact CD1-CD2 4.4Å; L116-H778 HydrophobicContact CD1-CB 3.74Å; L116-H778 HydrophobicContact CD2-CB 4.15Å; L116-H778 WeakPolarHBondContact CD2-O 3.3Å; L116-M780 HydrophobicContact CD1-CB 3.83Å
117R87.8Confident89.2Confident108 Ų10843.3 Ų43.341%0.40823%0.226SC..EExtended strand (participates in β ladder)trans-101.8119166.8-74.3-178.9-85.6-171.3-6.5109R107 V218 Q219R107-R117 HydrophobicContact CG-CG 4.35Å; R117-V218 WeakPolarHBondContact O-CA 3.46Å; R117-Q219 HydrophobicContact CB-CB 4.21Å; R117-Q219 HydrophobicContact CB-CG 4.48Å; R117-Q219 PolarHBondContact O-N 2.79Å
118V89.8Confident89.4Confident1 Ų134.9 Ų34.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-118.9127.5-177.3-175.30000109.5T105 Y106 F108 L116 M216 R217 V218 L774T105-V118 CarbonylContact C-O 3.59Å; T105-V118 VanDerWaalsContact CA-O 3.26Å; T105-V118 WeakPolarHBondContact CA-O 3.46Å; Y106-V118 HydrophobicContact CD2-CB 4.39Å; Y106-V118 HydrophobicContact CD2-CG1 4.4Å; Y106-V118 PolarHBondContact N-O 2.91Å; Y106-V118 PolarHBondContact O-N 3.46Å; F108-V118 HydrophobicContact CD2-CG2 3.97Å; F108-V118 HydrophobicContact CE2-CG2 4.31Å; L116-V118 HydrophobicContact CB-CG2 4.32Å; V118-M216 HydrophobicContact CG1-CG 3.63Å; V118-M216 HydrophobicContact CG1-SD 3.95Å; V118-R217 CarbonylContact C-O 3.52Å; V118-R217 VanDerWaalsContact CA-O 3.31Å; V118-R217 WeakPolarHBondContact CA-O 3.43Å; V118-V218 HydrophobicContact CG2-CG1 4.5Å; V118-V218 HydrophobicContact CG2-CG2 4.5Å; V118-L774 HydrophobicContact CG1-CD1 4.46Å; V118-L774 HydrophobicContact CG1-CD2 4.34Å; V118-L774 HydrophobicContact CG2-CD1 4.09Å; V118-L774 HydrophobicContact CG2-CD2 3.55Å; V118-L774 HydrophobicContact CG2-CG 4.5Å
119L90Very high89.6Confident32 Ų3235.2 Ų35.217%0.16820%0.196CC..EExtended strand (participates in β ladder)trans-110.3108.7172.4175.470.1000108.8R104 T105 Q121 M216 R217R104-L119 CarbonylContact O-C 3.57Å; T105-L119 WeakPolarHBondContact OG1-CD1 3.44Å; L119-Q121 HydrophobicContact CD1-CG 4.39Å; L119-Q121 HydrophobicContact CD2-CG 4.14Å; L119-Q121 HydrophobicContact CG-CG 3.87Å; L119-M216 CarbonylContact O-C 3.32Å; L119-M216 WeakPolarHBondContact O-CA 3.49Å; L119-R217 HydrophobicContact CB-CB 4.25Å; L119-R217 PolarHBondContact N-O 3.46Å; L119-R217 PolarHBondContact O-N 3.34Å
120E91.9Very high89.9Confident0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-87.8135.2169-177.1-167.1-173.500109S103 R104 Y106 R215 G796 C797S103-E120 CarbonylContact C-O 3.55Å; S103-E120 WeakPolarHBondContact CA-O 3.39Å; S103-E120 WeakPolarHBondContact CB-O 3.39Å; R104-E120 PolarHBondContact N-O 3.06Å; R104-E120 PolarHBondContact O-N 3.34Å; Y106-E120 HydrophobicContact CE2-CB 3.68Å; Y106-E120 WeakPolarHBondContact CE2-OE2 3.28Å; Y106-E120 PolarHBondContact OH-OE2 2.76Å; E120-R215 CarbonylContact C-O 3.46Å; E120-R215 WeakPolarHBondContact CA-O 3.4Å; E120-G796 WeakPolarHBondContact OE2-CA 3.44Å; E120-C797 HydrophobicContact CG-CB 4.26Å; E120-C797 PolarHBondContact OE1-N 3.28Å; E120-C797 PolarHBondContact OE2-N 2.94Å
121Q92.4Very high90.4Very high15 Ų1534.8 Ų34.87%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-133.8142.7175.9-47.1-175.5-84.400110.2L88 M102 L119 Q214 R215L88-Q121 HydrophobicContact CD1-CB 4.09Å; M102-Q121 CarbonylContact O-C 3.6Å; M102-Q121 WeakPolarHBondContact O-CA 3.2Å; L119-Q121 HydrophobicContact CD1-CG 4.39Å; L119-Q121 HydrophobicContact CD2-CG 4.14Å; L119-Q121 HydrophobicContact CG-CG 3.87Å; Q121-Q214 WeakPolarHBondContact O-CA 3.36Å; Q121-R215 HydrophobicContact CB-CB 4.28Å; Q121-R215 PolarHBondContact N-O 3.29Å; Q121-R215 PolarHBondContact O-N 3.38Å
122M94.1Very high91Very high1 Ų130.4 Ų30.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-123.1135.7167.7-179.4173.981.400109.5V101 M102 H212 I213 Q214 C797 N801V101-M122 CarbonylContact C-O 3.6Å; V101-M122 WeakPolarHBondContact CA-O 3.36Å; M102-M122 HydrophobicContact CE-CE 3.33Å; M102-M122 HydrophobicContact CG-CB 3.71Å; M102-M122 HydrophobicContact CG-CE 4.4Å; M102-M122 WeakPolarHBondContact CG-O 3.42Å; M102-M122 PolarHBondContact N-O 3.49Å; M102-M122 PolarHBondContact O-N 3.13Å; M102-M122 HydrophobicContact SD-CB 4.01Å; M102-M122 HydrophobicContact SD-CE 3.32Å; M102-M122 WeakPolarHBondContact SD-CE 3.36Å; M122-H212 HydrophobicContact CG-CB 4.04Å; M122-H212 HydrophobicContact SD-CB 4.21Å; M122-I213 CarbonylContact C-O 3.26Å; M122-I213 VanDerWaalsContact CA-O 3.27Å; M122-I213 WeakPolarHBondContact CA-O 3.29Å; M122-Q214 VanDerWaalsContact CG-NE2 3.32Å; M122-Q214 PolarHBondContact SD-NE2 3.34Å; M122-C797 HydrophobicContact CB-CB 3.83Å; M122-N801 HydrophobicContact CE-CB 3.72Å; M122-N801 HydrophobicContact SD-CB 3.84Å
123A94.4Very high91.6Very high0 Ų028.8 Ų28.80%015%0.149CC..EExtended strand (participates in β ladder)trans-131.8149.6174.700000111.2L88 C98 V101 H212 I213L88-A123 HydrophobicContact CD1-CB 4.14Å; C98-A123 HydrophobicContact CB-CB 4.13Å; V101-A123 HydrophobicContact CB-CB 4.49Å; V101-A123 HydrophobicContact CG2-CB 3.91Å; A123-H212 CarbonylContact O-C 3.18Å; A123-H212 VanDerWaalsContact O-CA 3.27Å; A123-H212 WeakPolarHBondContact O-CA 3.46Å; A123-H212 WeakPolarHBondContact O-CB 3.41Å; A123-H212 PolarHBondContact O-CD2 3.17Å; A123-I213 HydrophobicContact CB-CB 4.33Å; A123-I213 PolarHBondContact N-O 3.17Å; A123-I213 PolarHBondContact O-N 3.29Å
124E94.3Very high92.6Very high20 Ų2027.6 Ų27.69%0.09313%0.128CC..EExtended strand (participates in β ladder)trans-78.5147.4168.9-62.6172.6-160.300109.3C98 G99 S192 F193 K804C98-E124 CarbonylContact C-O 3.51Å; C98-E124 WeakPolarHBondContact CA-O 3.27Å; G99-E124 PolarHBondContact N-O 2.83Å; G99-E124 PolarHBondContact O-N 2.91Å; E124-S192 PolarHBondContact OE2-N 3.4Å; E124-F193 VanDerWaalsContact CD-CD1 3.48Å; E124-F193 HydrophobicContact CG-CD1 3.74Å; E124-F193 HydrophobicContact CG-CE1 4.33Å; E124-K804 IonicContact OE1-NZ 3.27Å; E124-K804 PolarHBondContact OE1-NZ 3.32Å
125S93.8Very high93.2Very high0 Ų024.8 Ų24.80%011%0.113CC..EExtended strand (participates in β ladder)trans-95.3112.9176.8-179.90000110.2L127 S128S125-L127 PolarHBondContact O-N 3.46Å; S125-L127 VanDerWaalsContact O-N 3.1Å; S125-L127 WeakPolarHBondContact OG-CB 3.35Å; S125-L127 PolarHBondContact OG-N 3.47Å; S125-S128 VanDerWaalsContact O-CB 3.27Å; S125-S128 WeakPolarHBondContact O-CB 3.29Å; S125-S128 PolarHBondContact O-N 3.11Å; S125-S128 PolarHBondContact O-OG 3.04Å
126V91.9Very high93.9Very high46 Ų4619.4 Ų19.428%0.2799%0.088SC..THydrogen-bonded Turntrans-59-24.9174.4-179.50000111.1V97 S128 L129V97-V126 PolarHBondContact O-N 2.84Å; V126-S128 PolarHBondContact O-N 3.39Å; V126-S128 VanDerWaalsContact O-N 3.16Å; V126-L129 PolarHBondContact O-N 3.38Å
127L95.3Very high94.4Very high0 Ų024.5 Ų24.50%011%0.109CC..Hα-helixtrans-62.6-19.7176-55.3-177000113.5V97 S125 L129 H130 I131 T543 I546 C547 L618 P619V97-L127 HydrophobicContact CB-CD1 4.29Å; V97-L127 HydrophobicContact CB-CD2 4.44Å; V97-L127 HydrophobicContact CB-CG 4.21Å; V97-L127 HydrophobicContact CG1-CD1 4.32Å; V97-L127 HydrophobicContact CG1-CD2 4.12Å; V97-L127 HydrophobicContact CG1-CG 4.36Å; S125-L127 PolarHBondContact O-N 3.46Å; S125-L127 VanDerWaalsContact O-N 3.1Å; S125-L127 WeakPolarHBondContact OG-CB 3.35Å; S125-L127 PolarHBondContact OG-N 3.47Å; L127-L129 PolarHBondContact O-N 2.9Å; L127-L129 VanDerWaalsContact O-N 3.08Å; L127-H130 PolarHBondContact O-N 3.07Å; L127-I131 HydrophobicContact CB-CG1 3.85Å; L127-I131 HydrophobicContact CD2-CD1 4.47Å; L127-I131 HydrophobicContact CD2-CG1 4.37Å; L127-I131 WeakPolarHBondContact O-CB 3.35Å; L127-I131 PolarHBondContact O-N 3.39Å; L127-T543 HydrophobicContact CB-CG2 4.13Å; L127-T543 VanDerWaalsContact O-CG2 3.28Å; L127-T543 WeakPolarHBondContact O-CG2 3.47Å; L127-I546 HydrophobicContact CD1-CB 4.35Å; L127-I546 HydrophobicContact CD1-CG2 3.82Å; L127-C547 HydrophobicContact CD1-CB 4.06Å; L127-L618 HydrophobicContact CD2-CD2 4.2Å; L127-P619 HydrophobicContact CD1-CG 4.4Å; L127-P619 HydrophobicContact CD2-CG 4.07Å
128S95.3Very high94.9Very high0 Ų020.6 Ų20.60%010%0.097CC..Hα-helixtrans-56.6-24.4176.9-51.30000113.3S125 V126 P132 S192 I207S125-S128 VanDerWaalsContact O-CB 3.27Å; S125-S128 WeakPolarHBondContact O-CB 3.29Å; S125-S128 PolarHBondContact O-N 3.11Å; S125-S128 PolarHBondContact O-OG 3.04Å; V126-S128 PolarHBondContact O-N 3.39Å; V126-S128 VanDerWaalsContact O-N 3.16Å; S128-P132 WeakPolarHBondContact O-CD 3.45Å; S128-P132 VanDerWaalsContact O-CG 3.3Å; S128-P132 WeakPolarHBondContact O-CG 3.47Å; S128-S192 VanDerWaalsContact CB-O 3.28Å; S128-S192 WeakPolarHBondContact CB-O 3.35Å; S128-S192 PolarHBondContact OG-O 3.24Å; S128-I207 WeakPolarHBondContact O-CG2 3.48Å
129L93.3Very high95.3Very high20 Ų2020.6 Ų20.611%0.10510%0.096CC..Hα-helixtrans-108-38.3175.5-62.6174.3000112.2V126 L127 R133 Y188 I207V126-L129 PolarHBondContact O-N 3.38Å; L127-L129 PolarHBondContact O-N 2.9Å; L127-L129 VanDerWaalsContact O-N 3.08Å; L129-R133 VanDerWaalsContact O-CG 3.3Å; L129-R133 WeakPolarHBondContact O-CG 3.41Å; L129-R133 PolarHBondContact O-N 3.46Å; L129-Y188 HydrophobicContact CD1-CD1 3.91Å; L129-Y188 HydrophobicContact CD1-CE1 4.12Å; L129-Y188 HydrophobicContact CD2-CD1 3.55Å; L129-Y188 HydrophobicContact CD2-CE1 3.86Å; L129-Y188 HydrophobicContact CD2-CG 4.48Å; L129-Y188 HydrophobicContact CG-CD1 4.4Å; L129-I207 HydrophobicContact CD2-CD1 3.44Å; L129-I207 VanDerWaalsContact CD2-CD1 3.44Å; L129-I207 HydrophobicContact CD2-CG1 4.14Å
130H94.6Very high95.6Very high47 Ų4720.3 Ų20.322%0.21810%0.095CC..Hα-helixtrans-65.9-42.8-175.5-173.658.3000113.4L127 Q134 L618 P619L127-H130 PolarHBondContact O-N 3.07Å; H130-Q134 PolarHBondContact CD2-NE2 3.36Å; H130-Q134 PolarHBondContact CE1-NE2 2.91Å; H130-Q134 VanDerWaalsContact CE1-NE2 3.29Å; H130-Q134 PolarHBondContact NE2-NE2 2.95Å; H130-Q134 PolarHBondContact O-N 3.34Å; H130-L618 WeakPolarHBondContact NE2-CB 3.2Å; H130-P619 PolarHBondContact CD2-O 3.32Å; H130-P619 PolarHBondContact NE2-O 3.28Å; H130-P619 VanDerWaalsContact NE2-O 3.07Å
131I97.4Very high95.8Very high0 Ų024.9 Ų24.90%012%0.116CC..Hα-helixtrans-71.4-47.9-177.2-61.6-56.6000111.1L127 R133 Q134 F135 L542 T543 I546 P619 I621L127-I131 HydrophobicContact CB-CG1 3.85Å; L127-I131 HydrophobicContact CD2-CD1 4.47Å; L127-I131 HydrophobicContact CD2-CG1 4.37Å; L127-I131 WeakPolarHBondContact O-CB 3.35Å; L127-I131 PolarHBondContact O-N 3.39Å; I131-R133 VanDerWaalsContact C-N 3.3Å; I131-R133 PolarHBondContact O-N 3.29Å; I131-Q134 PolarHBondContact O-N 2.85Å; I131-F135 VanDerWaalsContact O-CB 3.29Å; I131-F135 WeakPolarHBondContact O-CB 3.49Å; I131-F135 PolarHBondContact O-N 2.97Å; I131-L542 HydrophobicContact CG2-CG 4.46Å; I131-T543 HydrophobicContact CB-CG2 4.05Å; I131-T543 HydrophobicContact CG1-CG2 4.27Å; I131-T543 HydrophobicContact CG2-CG2 4.4Å; I131-T543 WeakPolarHBondContact CG2-OG1 3.45Å; I131-I546 HydrophobicContact CD1-CD1 3.63Å; I131-I546 HydrophobicContact CD1-CG2 4.43Å; I131-I546 HydrophobicContact CG1-CD1 4.08Å; I131-I546 HydrophobicContact CG2-CD1 4.11Å; I131-P619 HydrophobicContact CD1-CB 4.44Å; I131-I621 HydrophobicContact CB-CD1 4.22Å; I131-I621 HydrophobicContact CD1-CD1 3.93Å; I131-I621 HydrophobicContact CD1-CG1 4.08Å; I131-I621 HydrophobicContact CG2-CD1 3.52Å
132P97.9Very high95.9Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-54.1-41.5173.8-32.239000114.6S128 Q134 F135 V136 L185 F206 I207S128-P132 WeakPolarHBondContact O-CD 3.45Å; S128-P132 VanDerWaalsContact O-CG 3.3Å; S128-P132 WeakPolarHBondContact O-CG 3.47Å; P132-Q134 PolarHBondContact O-N 3.48Å; P132-F135 PolarHBondContact O-N 3.06Å; P132-V136 WeakPolarHBondContact O-CG2 3.17Å; P132-V136 PolarHBondContact O-N 2.78Å; P132-L185 HydrophobicContact CB-CD1 3.8Å; P132-L185 HydrophobicContact CB-CD2 4.27Å; P132-F206 HydrophobicContact CB-CB 4.07Å; P132-I207 HydrophobicContact CG-CG1 4.4Å
133R97Very high96Very high71 Ų7125.4 Ų25.427%0.26812%0.119SC..Hα-helixtrans-61.4-46.3179.1-73172.7-176.2162.9-1.1112.2L129 I131 K137 I182 L185L129-R133 VanDerWaalsContact O-CG 3.3Å; L129-R133 WeakPolarHBondContact O-CG 3.41Å; L129-R133 PolarHBondContact O-N 3.46Å; I131-R133 VanDerWaalsContact C-N 3.3Å; I131-R133 PolarHBondContact O-N 3.29Å; R133-K137 PolarHBondContact O-N 2.94Å; R133-I182 HydrophobicContact CB-CD1 4.03Å; R133-I182 HydrophobicContact CG-CD1 4.21Å; R133-I182 VanDerWaalsContact O-CD1 3.25Å; R133-I182 WeakPolarHBondContact O-CD1 3.41Å; R133-L185 HydrophobicContact CG-CB 3.93Å; R133-L185 HydrophobicContact CG-CD1 4.43Å; R133-L185 VanDerWaalsContact CZ-O 3.29Å; R133-L185 PolarHBondContact NE-O 3.18Å; R133-L185 PolarHBondContact NH2-O 3.01Å
134Q97.8Very high96.1Very high33 Ų3327.3 Ų27.315%0.15414%0.135CC..Hα-helixtrans-66.7-43176.4-70.4-178.568.600111.9H130 I131 P132 K137 L138 P619 V620 I621H130-Q134 PolarHBondContact CD2-NE2 3.36Å; H130-Q134 PolarHBondContact CE1-NE2 2.91Å; H130-Q134 VanDerWaalsContact CE1-NE2 3.29Å; H130-Q134 PolarHBondContact NE2-NE2 2.95Å; H130-Q134 PolarHBondContact O-N 3.34Å; I131-Q134 PolarHBondContact O-N 2.85Å; P132-Q134 PolarHBondContact O-N 3.48Å; Q134-K137 WeakPolarHBondContact O-CB 3.32Å; Q134-K137 PolarHBondContact O-N 3.16Å; Q134-L138 PolarHBondContact O-N 2.95Å; Q134-L138 VanDerWaalsContact O-N 3.15Å; Q134-P619 PolarHBondContact NE2-O 3.03Å; Q134-V620 VanDerWaalsContact OE1-CA 3.26Å; Q134-I621 HydrophobicContact CB-CD1 4.06Å; Q134-I621 HydrophobicContact CB-CG1 4.42Å
135F98.4Very high96Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-62.8-51.6-175.8-173.7-104.4000111.7I131 P132 K137 L138 L139 F206 D535 F538 C539 L542 I621 F628I131-F135 VanDerWaalsContact O-CB 3.29Å; I131-F135 WeakPolarHBondContact O-CB 3.49Å; I131-F135 PolarHBondContact O-N 2.97Å; P132-F135 PolarHBondContact O-N 3.06Å; F135-K137 PolarHBondContact O-N 3.11Å; F135-L138 WeakPolarHBondContact O-CB 3.31Å; F135-L138 PolarHBondContact O-N 3.27Å; F135-L139 HydrophobicContact CD1-CD1 3.94Å; F135-L139 HydrophobicContact CD1-CG 4.26Å; F135-L139 HydrophobicContact CE1-CD1 3.61Å; F135-L139 HydrophobicContact CE1-CD2 4.02Å; F135-L139 HydrophobicContact CE1-CG 4.03Å; F135-L139 HydrophobicContact CE2-CD2 4.47Å; F135-L139 HydrophobicContact CZ-CD1 4.33Å; F135-L139 HydrophobicContact CZ-CD2 3.89Å; F135-L139 HydrophobicContact CZ-CG 4.38Å; F135-L139 WeakPolarHBondContact O-CG 3.5Å; F135-L139 PolarHBondContact O-N 3.43Å; F135-L139 VanDerWaalsContact O-N 3.09Å; F135-F206 HydrophobicContact CD1-CD1 4.25Å; F135-F206 HydrophobicContact CD1-CE1 4.17Å; F135-F206 HydrophobicContact CE1-CE1 4.21Å; F135-D535 HydrophobicContact CE1-CB 4.23Å; F135-D535 WeakPolarHBondContact CE1-O 3.38Å; F135-F538 AromaticContact CE2-CD1 3.62Å; F135-F538 HydrophobicContact CE2-CD1 3.62Å; F135-F538 AromaticContact CE2-CE1 3.78Å; F135-F538 HydrophobicContact CE2-CE1 3.78Å; F135-F538 AromaticContact CZ-CD1 3.56Å; F135-F538 HydrophobicContact CZ-CD1 3.56Å; F135-F538 HydrophobicContact CZ-CE1 4.19Å; F135-C539 HydrophobicContact CD1-CB 3.56Å; F135-C539 HydrophobicContact CE1-CB 3.75Å; F135-C539 HydrophobicContact CG-CB 4.25Å; F135-L542 HydrophobicContact CD2-CD2 4.11Å; F135-L542 HydrophobicContact CE2-CD2 4.38Å; F135-I621 HydrophobicContact CB-CD1 4.35Å; F135-F628 HydrophobicContact CD2-CE1 4.16Å; F135-F628 HydrophobicContact CD2-CZ 4.15Å; F135-F628 HydrophobicContact CE2-CD1 4.44Å; F135-F628 HydrophobicContact CE2-CD2 4.33Å; F135-F628 AromaticContact CE2-CE1 3.77Å; F135-F628 HydrophobicContact CE2-CE1 3.77Å; F135-F628 AromaticContact CE2-CE2 3.63Å; F135-F628 HydrophobicContact CE2-CE2 3.63Å; F135-F628 AromaticContact CE2-CZ 3.32Å; F135-F628 HydrophobicContact CE2-CZ 3.32Å; F135-F628 HydrophobicContact CZ-CE2 4.26Å; F135-F628 HydrophobicContact CZ-CZ 4.01Å
136V98.1Very high95.9Very high0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-61.1-34.8179.2176.30000111.5P132 L139 L140 Y178 T181 I182 L185 F206P132-V136 WeakPolarHBondContact O-CG2 3.17Å; P132-V136 PolarHBondContact O-N 2.78Å; V136-L139 PolarHBondContact O-N 2.91Å; V136-L140 HydrophobicContact CG1-CD1 4.34Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 3.1Å; V136-Y178 HydrophobicContact CG1-CD1 4.09Å; V136-Y178 HydrophobicContact CG1-CG 4.35Å; V136-Y178 WeakPolarHBondContact CG1-O 3.41Å; V136-T181 HydrophobicContact CG2-CG2 4.21Å; V136-I182 HydrophobicContact CB-CD1 4.36Å; V136-I182 HydrophobicContact CG1-CB 3.98Å; V136-L185 HydrophobicContact CG2-CD1 4.28Å; V136-F206 HydrophobicContact CG2-CD1 3.69Å; V136-F206 HydrophobicContact CG2-CD2 4.31Å; V136-F206 HydrophobicContact CG2-CE1 3.94Å; V136-F206 HydrophobicContact CG2-CE2 4.5Å; V136-F206 HydrophobicContact CG2-CG 3.93Å; V136-F206 HydrophobicContact CG2-CZ 4.37Å
137K97.8Very high96.1Very high121 Ų12132 Ų3253%0.52616%0.156SC..Hα-helixtrans-61-43.6173.6-176.8178.9173.8-1790112.2R133 Q134 F135 L139 L140 E141R133-K137 PolarHBondContact O-N 2.94Å; Q134-K137 WeakPolarHBondContact O-CB 3.32Å; Q134-K137 PolarHBondContact O-N 3.16Å; F135-K137 PolarHBondContact O-N 3.11Å; K137-L139 VanDerWaalsContact C-N 3.33Å; K137-L139 PolarHBondContact O-N 3.18Å; K137-L140 WeakPolarHBondContact O-CB 3.1Å; K137-L140 PolarHBondContact O-N 3.35Å; K137-E141 WeakPolarHBondContact CE-OE1 3.33Å; K137-E141 WeakPolarHBondContact O-CG 3.22Å; K137-E141 PolarHBondContact O-N 2.88Å
138L97.9Very high96Very high26 Ų2634.8 Ų34.814%0.13618%0.175CC..Hα-helixtrans-63.9-38.4175.9-65.7171.9000111.8Q134 F135 E141 E142 I621 F628Q134-L138 PolarHBondContact O-N 2.95Å; Q134-L138 VanDerWaalsContact O-N 3.15Å; F135-L138 WeakPolarHBondContact O-CB 3.31Å; F135-L138 PolarHBondContact O-N 3.27Å; L138-E141 PolarHBondContact O-N 3.3Å; L138-E142 WeakPolarHBondContact O-CB 3.43Å; L138-E142 PolarHBondContact O-N 2.89Å; L138-I621 HydrophobicContact CD1-CB 4.12Å; L138-I621 HydrophobicContact CD1-CG2 3.81Å; L138-F628 HydrophobicContact CD1-CD1 4.24Å; L138-F628 HydrophobicContact CD1-CE1 4.11Å
139L97.7Very high95.8Very high0 Ų036.9 Ų36.90%019%0.185CC..Hα-helixtrans-64.4-41.4176.2-56-179000111.9F135 V136 K137 E142 D143 Y178 F206 D535 R625F135-L139 HydrophobicContact CD1-CD1 3.94Å; F135-L139 HydrophobicContact CD1-CG 4.26Å; F135-L139 HydrophobicContact CE1-CD1 3.61Å; F135-L139 HydrophobicContact CE1-CD2 4.02Å; F135-L139 HydrophobicContact CE1-CG 4.03Å; F135-L139 HydrophobicContact CE2-CD2 4.47Å; F135-L139 HydrophobicContact CZ-CD1 4.33Å; F135-L139 HydrophobicContact CZ-CD2 3.89Å; F135-L139 HydrophobicContact CZ-CG 4.38Å; F135-L139 WeakPolarHBondContact O-CG 3.5Å; F135-L139 PolarHBondContact O-N 3.43Å; F135-L139 VanDerWaalsContact O-N 3.09Å; V136-L139 PolarHBondContact O-N 2.91Å; K137-L139 VanDerWaalsContact C-N 3.33Å; K137-L139 PolarHBondContact O-N 3.18Å; L139-E142 PolarHBondContact O-N 3.39Å; L139-D143 WeakPolarHBondContact O-CB 3.36Å; L139-D143 PolarHBondContact O-N 3.34Å; L139-Y178 HydrophobicContact CB-CD2 4.35Å; L139-Y178 HydrophobicContact CB-CE2 4.15Å; L139-Y178 HydrophobicContact CD1-CD1 4.32Å; L139-Y178 HydrophobicContact CD1-CE1 3.7Å; L139-Y178 HydrophobicContact CD1-CE2 4.4Å; L139-F206 HydrophobicContact CD1-CE1 4.21Å; L139-D535 HydrophobicContact CD1-CB 3.75Å; L139-R625 HydrophobicContact CD2-CG 4.08Å
140L97.2Very high95.8Very high27 Ų2736.5 Ų36.514%0.14118%0.183CC..Hα-helixtrans-60.2-47.9175.2-79.5168.6000111.7V136 K137 E142 D143 A144 I175 Y178 Q179 I182V136-L140 HydrophobicContact CG1-CD1 4.34Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 3.1Å; K137-L140 WeakPolarHBondContact O-CB 3.1Å; K137-L140 PolarHBondContact O-N 3.35Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-D143 PolarHBondContact O-N 2.98Å; L140-A144 WeakPolarHBondContact O-CB 3.28Å; L140-A144 PolarHBondContact O-N 3.41Å; L140-I175 HydrophobicContact CD2-CG2 3.97Å; L140-I175 WeakPolarHBondContact CD2-O 3.43Å; L140-Y178 VanDerWaalsContact CD2-CB 3.41Å; L140-Y178 HydrophobicContact CD2-CG 4.46Å; L140-Q179 HydrophobicContact CD1-CG 4.34Å; L140-Q179 HydrophobicContact CD2-CG 3.72Å; L140-I182 HydrophobicContact CD1-CG2 4.01Å
141E95.7Very high95.7Very high96 Ų9639 Ų3945%0.44920%0.195SC..Hα-helixtrans-60.5-45177.1-71.9170.2-172.400110.9K137 L138 V145K137-E141 WeakPolarHBondContact CE-OE1 3.33Å; K137-E141 WeakPolarHBondContact O-CG 3.22Å; K137-E141 PolarHBondContact O-N 2.88Å; L138-E141 PolarHBondContact O-N 3.3Å; E141-V145 VanDerWaalsContact O-CG2 3.27Å; E141-V145 WeakPolarHBondContact O-CG2 3.46Å; E141-V145 PolarHBondContact O-N 2.93Å
142E95Very high95.4Very high24 Ų2444.1 Ų44.111%0.11222%0.219CC..Hα-helixtrans-63.4-44.3179.7-163-168.7157.500112.6L138 L139 L140 R146 N624 R625L138-E142 WeakPolarHBondContact O-CB 3.43Å; L138-E142 PolarHBondContact O-N 2.89Å; L139-E142 PolarHBondContact O-N 3.39Å; L140-E142 VanDerWaalsContact C-N 3.34Å; E142-R146 WeakPolarHBondContact O-CG 3.49Å; E142-R146 PolarHBondContact O-N 3.02Å; E142-R146 IonicContact OE1-CZ 3.82Å; E142-R146 IonicContact OE1-NH1 2.76Å; E142-R146 PolarHBondContact OE1-NH1 3.11Å; E142-R146 IonicContact OE1-NH2 2.75Å; E142-R146 PolarHBondContact OE1-NH2 3.3Å; E142-N624 HydrophobicContact CG-CB 4.23Å; E142-R625 IonicContact OE1-NH1 2.85Å; E142-R625 WeakPolarHBondContact OE2-CD 3.4Å; E142-R625 VanDerWaalsContact OE2-CG 3.28Å; E142-R625 WeakPolarHBondContact OE2-CG 3.26Å; E142-R625 IonicContact OE2-CZ 3.1Å; E142-R625 PolarHBondContact OE2-N 3.28Å; E142-R625 IonicContact OE2-NE 2.99Å; E142-R625 IonicContact OE2-NH1 3.22Å; E142-R625 PolarHBondContact OE2-NH1 3.48Å
143D95.6Very high95Very high2 Ų244.2 Ų44.21%0.01122%0.219CC..Hα-helixtrans-77-30.9-178.7-67.2-22.6000112.2L139 L140 R146 V147 Y171 I175 Y178 R625L139-D143 WeakPolarHBondContact O-CB 3.36Å; L139-D143 PolarHBondContact O-N 3.34Å; L140-D143 PolarHBondContact O-N 2.98Å; D143-R146 WeakPolarHBondContact O-CB 3.47Å; D143-R146 PolarHBondContact O-N 3.28Å; D143-R146 IonicContact OD1-CZ 3.48Å; D143-R146 IonicContact OD1-NH1 3.51Å; D143-R146 PolarHBondContact OD1-NH1 3.31Å; D143-V147 PolarHBondContact O-N 2.99Å; D143-Y171 HydrophobicContact CB-CD1 4.28Å; D143-I175 HydrophobicContact CB-CD1 4.19Å; D143-I175 HydrophobicContact CB-CG1 3.86Å; D143-Y178 WeakPolarHBondContact OD2-CE2 3.28Å; D143-R625 IonicContact OD1-CZ 2.61Å; D143-R625 IonicContact OD1-NH1 3.51Å; D143-R625 PolarHBondContact OD1-NH1 3.46Å; D143-R625 IonicContact OD1-NH2 3.42Å; D143-R625 IonicContact OD2-CZ 3.65Å; D143-R625 IonicContact OD2-NH1 2.7Å; D143-R625 PolarHBondContact OD2-NH1 3.27Å; D143-R625 IonicContact OD2-NH2 3.19Å; D143-R625 PolarHBondContact OD2-NH2 3.49Å
144A95.7Very high94.5Very high41 Ų4142.6 Ų42.634%0.33923%0.225SC..Hα-helixtrans-64.1-43.6171.100000111.6L140 R146 V147 C148L140-A144 WeakPolarHBondContact O-CB 3.28Å; L140-A144 PolarHBondContact O-N 3.41Å; A144-R146 VanDerWaalsContact C-N 3.27Å; A144-R146 PolarHBondContact O-N 3.47Å; A144-V147 PolarHBondContact O-N 3.37Å; A144-V147 VanDerWaalsContact O-N 3.15Å; A144-C148 PolarHBondContact O-N 2.7Å; A144-C148 PolarHBondContact O-SG 2.88Å; A144-C148 VanDerWaalsContact O-SG 3.4Å
145V93.4Very high94Very high76 Ų7648.1 Ų48.146%0.46125%0.25SS..Hα-helixtrans-59.1-40175.2168.90000111.1E141 V147 C148 E149E141-V145 VanDerWaalsContact O-CG2 3.27Å; E141-V145 WeakPolarHBondContact O-CG2 3.46Å; E141-V145 PolarHBondContact O-N 2.93Å; V145-V147 VanDerWaalsContact C-N 3.34Å; V145-V147 PolarHBondContact O-N 2.97Å; V145-C148 PolarHBondContact O-N 3.43Å; V145-E149 HydrophobicContact CG1-CG 4.31Å; V145-E149 VanDerWaalsContact O-CG 3.3Å; V145-E149 WeakPolarHBondContact O-CG 3.34Å; V145-E149 PolarHBondContact O-N 3.21Å
146R91.8Very high93.6Very high74 Ų7448.6 Ų48.628%0.27925%0.253SS..Hα-helixtrans-62-39.8175.9-72.9178172.2107.714.5113.1E142 D143 A144 E149 L150 Y171E142-R146 WeakPolarHBondContact O-CG 3.49Å; E142-R146 PolarHBondContact O-N 3.02Å; E142-R146 IonicContact OE1-CZ 3.82Å; E142-R146 IonicContact OE1-NH1 2.76Å; E142-R146 PolarHBondContact OE1-NH1 3.11Å; E142-R146 IonicContact OE1-NH2 2.75Å; E142-R146 PolarHBondContact OE1-NH2 3.3Å; D143-R146 WeakPolarHBondContact O-CB 3.47Å; D143-R146 PolarHBondContact O-N 3.28Å; D143-R146 IonicContact OD1-CZ 3.48Å; D143-R146 IonicContact OD1-NH1 3.51Å; D143-R146 PolarHBondContact OD1-NH1 3.31Å; A144-R146 VanDerWaalsContact C-N 3.27Å; A144-R146 PolarHBondContact O-N 3.47Å; R146-E149 PolarHBondContact O-N 2.83Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.27Å; R146-L150 VanDerWaalsContact O-N 3.14Å; R146-Y171 HydrophobicContact CB-CE1 4.38Å
147V94.6Very high93.1Very high13 Ų1349.1 Ų49.18%0.07926%0.257CS..Hα-helixtrans-63.9-47175.6172.90000110.2D143 A144 V145 E149 L150 E151 I168 Y171 I175D143-V147 PolarHBondContact O-N 2.99Å; A144-V147 PolarHBondContact O-N 3.37Å; A144-V147 VanDerWaalsContact O-N 3.15Å; V145-V147 VanDerWaalsContact C-N 3.34Å; V145-V147 PolarHBondContact O-N 2.97Å; V147-E149 VanDerWaalsContact C-N 3.33Å; V147-E149 PolarHBondContact O-N 3.48Å; V147-L150 PolarHBondContact O-N 2.91Å; V147-L150 VanDerWaalsContact O-N 3.16Å; V147-E151 HydrophobicContact CG1-CG 4.44Å; V147-E151 WeakPolarHBondContact O-CG 3.26Å; V147-E151 PolarHBondContact O-N 3.48Å; V147-I168 HydrophobicContact CG1-CG2 4.09Å; V147-Y171 HydrophobicContact CG2-CG 4.31Å; V147-I175 HydrophobicContact CG2-CD1 3.84Å
148C93.9Very high92.6Very high60 Ų6048.1 Ų48.141%0.40526%0.263SS..Hα-helixtrans-58.1-44.3176.1-63.80000111.9A144 V145 L150 E151 E152A144-C148 PolarHBondContact O-N 2.7Å; A144-C148 PolarHBondContact O-SG 2.88Å; A144-C148 VanDerWaalsContact O-SG 3.4Å; V145-C148 PolarHBondContact O-N 3.43Å; C148-L150 VanDerWaalsContact C-N 3.29Å; C148-L150 PolarHBondContact O-N 3.48Å; C148-E151 PolarHBondContact O-N 2.97Å; C148-E152 WeakPolarHBondContact O-CB 3.44Å; C148-E152 VanDerWaalsContact O-CG 3.29Å; C148-E152 WeakPolarHBondContact O-CG 3.21Å; C148-E152 PolarHBondContact O-N 3.34Å
149E91.9Very high92Very high43 Ų4351.2 Ų51.220%0.20129%0.286CS..Hα-helixtrans-60.1-36.6178-74.6176.5164.500112.9V145 R146 V147 K509 V513V145-E149 HydrophobicContact CG1-CG 4.31Å; V145-E149 VanDerWaalsContact O-CG 3.3Å; V145-E149 WeakPolarHBondContact O-CG 3.34Å; V145-E149 PolarHBondContact O-N 3.21Å; R146-E149 PolarHBondContact O-N 2.83Å; V147-E149 VanDerWaalsContact C-N 3.33Å; V147-E149 PolarHBondContact O-N 3.48Å; E149-K509 WeakPolarHBondContact OE1-CE 3.4Å; E149-K509 IonicContact OE1-NZ 2.89Å; E149-K509 PolarHBondContact OE1-NZ 3.03Å; E149-V513 HydrophobicContact CB-CG1 4.33Å; E149-V513 HydrophobicContact CB-CG2 4.38Å
150L92.4Very high91.5Very high13 Ų1354.3 Ų54.37%0.06830%0.298CS..Hα-helixtrans-70.8-42175.6-69.7168.8000111.6R146 V147 C148 E152 L153 R164 I167 I168 Y171 V513 M517R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.27Å; R146-L150 VanDerWaalsContact O-N 3.14Å; V147-L150 PolarHBondContact O-N 2.91Å; V147-L150 VanDerWaalsContact O-N 3.16Å; C148-L150 VanDerWaalsContact C-N 3.29Å; C148-L150 PolarHBondContact O-N 3.48Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.48Å; L150-L153 HydrophobicContact CD2-CD1 4.32Å; L150-L153 WeakPolarHBondContact O-CB 3.3Å; L150-L153 WeakPolarHBondContact O-CG 3.42Å; L150-L153 PolarHBondContact O-N 3.46Å; L150-R164 HydrophobicContact CB-CG 4.4Å; L150-R164 WeakPolarHBondContact O-CD 3.41Å; L150-R164 PolarHBondContact O-NH1 2.96Å; L150-I167 HydrophobicContact CD1-CG2 3.65Å; L150-I168 HydrophobicContact CB-CD1 4.04Å; L150-I168 HydrophobicContact CB-CG1 4.02Å; L150-I168 HydrophobicContact CD1-CG1 3.93Å; L150-Y171 HydrophobicContact CD1-CD2 4.32Å; L150-Y171 HydrophobicContact CD1-CE2 4.42Å; L150-V513 HydrophobicContact CD2-CG1 4.15Å; L150-M517 HydrophobicContact CD2-CB 3.96Å; L150-M517 HydrophobicContact CD2-CG 3.83Å; L150-M517 HydrophobicContact CD2-SD 4.03Å
151E92.4Very high91.2Very high100 Ų10054.2 Ų54.247%0.46730%0.297SS..Hα-helixtrans-63.7-37.7177.3-69.6175.216300111.7V147 C148 L153 R164 I168V147-E151 HydrophobicContact CG1-CG 4.44Å; V147-E151 WeakPolarHBondContact O-CG 3.26Å; V147-E151 PolarHBondContact O-N 3.48Å; C148-E151 PolarHBondContact O-N 2.97Å; E151-L153 PolarHBondContact O-N 3.42Å; E151-L153 VanDerWaalsContact O-N 3.15Å; E151-R164 PolarHBondContact O-NH1 3.39Å; E151-I168 HydrophobicContact CG-CD1 3.82Å
152E91.6Very high90.9Very high107 Ų10754 Ų5450%0.530%0.299SS..THydrogen-bonded Turntrans-68.3-8.2178.9-76.1176.4-174.800115C148 L150 G154 K510C148-E152 WeakPolarHBondContact O-CB 3.44Å; C148-E152 VanDerWaalsContact O-CG 3.29Å; C148-E152 WeakPolarHBondContact O-CG 3.21Å; C148-E152 PolarHBondContact O-N 3.34Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.48Å; E152-G154 PolarHBondContact O-N 3.37Å; E152-G154 VanDerWaalsContact O-N 3.1Å; E152-K510 WeakPolarHBondContact O-CD 3.3Å; E152-K510 WeakPolarHBondContact O-CE 3.46Å; E152-K510 PolarHBondContact O-NZ 3.18Å
153L89.5Confident90.6Very high1 Ų154.4 Ų54.41%0.00530%0.301CS..THydrogen-bonded Turntrans-60.1-18175.3-69.4178.1000113.3L150 E151 L156 K510 V513 F514 M517L150-L153 HydrophobicContact CD2-CD1 4.32Å; L150-L153 WeakPolarHBondContact O-CB 3.3Å; L150-L153 WeakPolarHBondContact O-CG 3.42Å; L150-L153 PolarHBondContact O-N 3.46Å; E151-L153 PolarHBondContact O-N 3.42Å; E151-L153 VanDerWaalsContact O-N 3.15Å; L153-L156 HydrophobicContact CB-CD1 4.43Å; L153-L156 HydrophobicContact CD1-CD1 4.36Å; L153-K510 HydrophobicContact CD2-CB 4.12Å; L153-K510 WeakPolarHBondContact CD2-O 3.28Å; L153-V513 HydrophobicContact CD1-CG1 4.32Å; L153-V513 HydrophobicContact CD2-CB 4.13Å; L153-V513 HydrophobicContact CD2-CG1 3.97Å; L153-V513 HydrophobicContact CG-CG1 4.28Å; L153-F514 HydrophobicContact CD1-CD2 4.45Å; L153-F514 HydrophobicContact CD2-CB 4.06Å; L153-M517 HydrophobicContact CD1-SD 3.85Å
154G86.1Confident90.5Very high37 Ų3755.7 Ų55.738%0.38131%0.306SS..  trans83.1-154.2-17900000112.6E152 R164E152-G154 PolarHBondContact O-N 3.37Å; E152-G154 VanDerWaalsContact O-N 3.1Å; G154-R164 PolarHBondContact O-NH1 2.99Å; G154-R164 PolarHBondContact O-NH2 3.27Å
155E86.7Confident90.3Very high149 Ų14959.5 Ų59.570%0.69631%0.312SS*.  trans-78126.2179.5-64.9-177.617900111.6P354E155-P354 HydrophobicContact CB-CG 4.15Å; E155-P354 WeakPolarHBondContact O-CD 3.49Å
156L90.2Very high90.2Very high10 Ų1061 Ų615%0.05231%0.314CS..  trans-116.7156.3176.9-60.7174.4000110.7L153 R160 E161 R164 L349 A352 F514 M517L153-L156 HydrophobicContact CB-CD1 4.43Å; L153-L156 HydrophobicContact CD1-CD1 4.36Å; L156-R160 HydrophobicContact CB-CB 4.1Å; L156-R160 HydrophobicContact CD1-CB 4.45Å; L156-E161 HydrophobicContact CB-CB 4.27Å; L156-R164 HydrophobicContact CD1-CB 4.4Å; L156-L349 HydrophobicContact CD2-CD1 3.93Å; L156-A352 HydrophobicContact CD2-CB 4.39Å; L156-F514 HydrophobicContact CD2-CD2 4.38Å; L156-F514 HydrophobicContact CD2-CE2 4.22Å; L156-M517 HydrophobicContact CD1-CE 4.26Å
157A88.2Confident90.3Very high11 Ų1157.5 Ų57.59%0.09130%0.3CS..  trans-58.3150.7172.500000110.9C159 R160 E161 A352A157-C159 VanDerWaalsContact C-N 3.29Å; A157-C159 PolarHBondContact O-N 2.77Å; A157-R160 PolarHBondContact O-N 2.92Å; A157-E161 WeakPolarHBondContact O-CB 3.34Å; A157-E161 PolarHBondContact O-N 3.26Å; A157-A352 WeakPolarHBondContact CB-O 3.25Å; A157-A352 PolarHBondContact N-O 3.46Å
158P87.4Confident90.3Very high101 Ų10157.6 Ų57.666%0.65630%0.3SS*.Hα-helixtrans-52.1-38.8-169.4-29.935000115.6N162P158-N162 WeakPolarHBondContact O-CB 3.47Å; P158-N162 VanDerWaalsContact O-CG 3.22Å; P158-N162 PolarHBondContact O-N 3.23Å; P158-N162 PolarHBondContact O-ND2 3.19Å
159C85.9Confident90.3Very high91 Ų9158 Ų5862%0.61530%0.301SS*.Hα-helixtrans-68.8-42.4178.558.50000113A157 E161 N162 L163A157-C159 VanDerWaalsContact C-N 3.29Å; A157-C159 PolarHBondContact O-N 2.77Å; C159-E161 VanDerWaalsContact C-N 3.34Å; C159-N162 PolarHBondContact O-N 2.85Å; C159-L163 PolarHBondContact O-N 3.36Å
160R86.6Confident90.5Very high64 Ų6458.9 Ų58.924%0.24231%0.305CS..Hα-helixtrans-71.1-34.3177.3-62.3-60.5-171.9-1795.5111.3L156 A157 L163 R164 A352 F514L156-R160 HydrophobicContact CB-CB 4.1Å; L156-R160 HydrophobicContact CD1-CB 4.45Å; A157-R160 PolarHBondContact O-N 2.92Å; R160-L163 WeakPolarHBondContact O-CB 3.21Å; R160-L163 PolarHBondContact O-N 3.09Å; R160-R164 PolarHBondContact O-N 3.22Å; R160-A352 HydrophobicContact CG-CB 4.23Å; R160-F514 HydrophobicContact CB-CE2 4.48Å; R160-F514 HydrophobicContact CG-CE2 4.44Å; R160-F514 HydrophobicContact CG-CZ 4.41Å
161E90.5Very high90.6Very high26 Ų2659.8 Ų59.812%0.12131%0.308CS..Hα-helixtrans-67.1-41.3175.3-176.158-152.700112.3L156 A157 C159 L163 R164 R165L156-E161 HydrophobicContact CB-CB 4.27Å; A157-E161 WeakPolarHBondContact O-CB 3.34Å; A157-E161 PolarHBondContact O-N 3.26Å; C159-E161 VanDerWaalsContact C-N 3.34Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 2.97Å; E161-R164 PolarHBondContact O-N 2.74Å; E161-R164 IonicContact OE1-CZ 2.88Å; E161-R164 IonicContact OE1-NE 3.9Å; E161-R164 PolarHBondContact OE1-NE 3.48Å; E161-R164 IonicContact OE1-NH2 3.76Å; E161-R164 PolarHBondContact OE1-NH2 2.84Å; E161-R164 IonicContact OE2-CZ 2.65Å; E161-R164 IonicContact OE2-NE 2.81Å; E161-R164 PolarHBondContact OE2-NE 3.02Å; E161-R164 IonicContact OE2-NH2 3.14Å; E161-R164 PolarHBondContact OE2-NH2 3.37Å; E161-R165 PolarHBondContact O-N 3.31Å; E161-R165 IonicContact OE1-NH1 2.74Å; E161-R165 PolarHBondContact OE1-NH1 2.71Å
162N89.3Confident90.8Very high91 Ų9159.1 Ų59.149%0.48731%0.305SS..Hα-helixtrans-60.2-41172.5-75.2-18.2000111.6P158 C159 R165 Q166P158-N162 WeakPolarHBondContact O-CB 3.47Å; P158-N162 VanDerWaalsContact O-CG 3.22Å; P158-N162 PolarHBondContact O-N 3.23Å; P158-N162 PolarHBondContact O-ND2 3.19Å; C159-N162 PolarHBondContact O-N 2.85Å; N162-R165 PolarHBondContact O-N 3.45Å; N162-R165 PolarHBondContact OD1-NH2 2.94Å; N162-Q166 WeakPolarHBondContact O-CB 3.46Å; N162-Q166 PolarHBondContact O-N 3.1Å
163L88.8Confident91Very high32 Ų3257.5 Ų57.517%0.16830%0.302CS..Hα-helixtrans-63.8-46.6176.4-176.666.4000112.1C159 R160 E161 R165 Q166 I167 M517 A521C159-L163 PolarHBondContact O-N 3.36Å; R160-L163 WeakPolarHBondContact O-CB 3.21Å; R160-L163 PolarHBondContact O-N 3.09Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 2.97Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 3.2Å; L163-Q166 PolarHBondContact O-N 3.46Å; L163-I167 HydrophobicContact CD1-CD1 4.47Å; L163-I167 HydrophobicContact CG-CD1 4.18Å; L163-I167 WeakPolarHBondContact O-CG1 3.32Å; L163-I167 PolarHBondContact O-N 3.02Å; L163-M517 HydrophobicContact CD2-CE 4.46Å; L163-A521 HydrophobicContact CD1-CB 3.2Å; L163-A521 HydrophobicContact CD2-CB 3.74Å; L163-A521 HydrophobicContact CG-CB 3.84Å
164R92.8Very high91.3Very high29 Ų2958.5 Ų58.511%0.10931%0.307CS..Hα-helixtrans-54.4-51.1173.6179.2174.669.6169.31.6111L150 E151 G154 L156 R160 E161 Q166 I167 I168 M517L150-R164 HydrophobicContact CB-CG 4.4Å; L150-R164 WeakPolarHBondContact O-CD 3.41Å; L150-R164 PolarHBondContact O-NH1 2.96Å; E151-R164 PolarHBondContact O-NH1 3.39Å; G154-R164 PolarHBondContact O-NH1 2.99Å; G154-R164 PolarHBondContact O-NH2 3.27Å; L156-R164 HydrophobicContact CD1-CB 4.4Å; R160-R164 PolarHBondContact O-N 3.22Å; E161-R164 PolarHBondContact O-N 2.74Å; E161-R164 IonicContact OE1-CZ 2.88Å; E161-R164 IonicContact OE1-NE 3.9Å; E161-R164 PolarHBondContact OE1-NE 3.48Å; E161-R164 IonicContact OE1-NH2 3.76Å; E161-R164 PolarHBondContact OE1-NH2 2.84Å; E161-R164 IonicContact OE2-CZ 2.65Å; E161-R164 IonicContact OE2-NE 2.81Å; E161-R164 PolarHBondContact OE2-NE 3.02Å; E161-R164 IonicContact OE2-NH2 3.14Å; E161-R164 PolarHBondContact OE2-NH2 3.37Å; R164-Q166 VanDerWaalsContact C-N 3.34Å; R164-Q166 PolarHBondContact O-N 3.22Å; R164-I167 PolarHBondContact O-N 3.09Å; R164-I168 HydrophobicContact CG-CD1 3.72Å; R164-I168 HydrophobicContact CG-CG1 4.34Å; R164-I168 WeakPolarHBondContact O-CG1 3.49Å; R164-I168 PolarHBondContact O-N 3.01Å; R164-M517 HydrophobicContact CB-SD 3.68Å; R164-M517 HydrophobicContact CG-SD 4.09Å
165R92.3Very high91.9Very high122 Ų12257.8 Ų57.846%0.4629%0.294SS..Hα-helixtrans-58-44.7178.2-79.8-168.1-75.4-98.52.9112.1E161 N162 L163 I167 I168 T169E161-R165 PolarHBondContact O-N 3.31Å; E161-R165 IonicContact OE1-NH1 2.74Å; E161-R165 PolarHBondContact OE1-NH1 2.71Å; N162-R165 PolarHBondContact O-N 3.45Å; N162-R165 PolarHBondContact OD1-NH2 2.94Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 3.2Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-I167 PolarHBondContact O-N 3.08Å; R165-I168 PolarHBondContact O-N 3.4Å; R165-T169 PolarHBondContact O-N 3.04Å; R165-T169 PolarHBondContact O-OG1 2.99Å
166Q91.7Very high92.4Very high107 Ų10755.9 Ų55.950%0.529%0.289SS..Hα-helixtrans-58.5-46.7177.5-176-179-4.800111.6N162 L163 R164 T169 Q170N162-Q166 WeakPolarHBondContact O-CB 3.46Å; N162-Q166 PolarHBondContact O-N 3.1Å; L163-Q166 PolarHBondContact O-N 3.46Å; R164-Q166 VanDerWaalsContact C-N 3.34Å; R164-Q166 PolarHBondContact O-N 3.22Å; Q166-T169 PolarHBondContact O-N 3.28Å; Q166-Q170 WeakPolarHBondContact O-CG 3.31Å; Q166-Q170 PolarHBondContact O-N 3.42Å
167I93.3Very high92.7Very high1 Ų156.9 Ų56.91%0.00530%0.295CS..Hα-helixtrans-63.6-46.2178.3-67.9166.3000110.7L150 L163 R164 R165 T169 Q170 Y171 M517 A521 I524L150-I167 HydrophobicContact CD1-CG2 3.65Å; L163-I167 HydrophobicContact CD1-CD1 4.47Å; L163-I167 HydrophobicContact CG-CD1 4.18Å; L163-I167 WeakPolarHBondContact O-CG1 3.32Å; L163-I167 PolarHBondContact O-N 3.02Å; R164-I167 PolarHBondContact O-N 3.09Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-I167 PolarHBondContact O-N 3.08Å; I167-T169 PolarHBondContact O-N 3.27Å; I167-Q170 PolarHBondContact O-N 3.5Å; I167-Q170 VanDerWaalsContact O-N 3.14Å; I167-Y171 HydrophobicContact CG2-CD2 3.75Å; I167-Y171 HydrophobicContact CG2-CE2 3.68Å; I167-Y171 WeakPolarHBondContact O-CD2 3.38Å; I167-Y171 PolarHBondContact O-N 2.95Å; I167-M517 HydrophobicContact CD1-CB 4.46Å; I167-M517 HydrophobicContact CD1-CG 3.44Å; I167-M517 VanDerWaalsContact CD1-CG 3.44Å; I167-M517 WeakPolarHBondContact CD1-O 3.5Å; I167-A521 HydrophobicContact CD1-CB 4.23Å; I167-I524 HydrophobicContact CG1-CG1 4.37Å; I167-I524 HydrophobicContact CG1-CG2 4.32Å; I167-I524 HydrophobicContact CG2-CD1 4.35Å; I167-I524 HydrophobicContact CG2-CG1 4.23Å
168I94.9Very high93.1Very high14 Ų1456.4 Ų56.47%0.07229%0.291CS..Hα-helixtrans-58.2-46.1176.8-71.5173.7000110.8V147 L150 E151 R164 R165 Q170 Y171 Q172V147-I168 HydrophobicContact CG1-CG2 4.09Å; L150-I168 HydrophobicContact CB-CD1 4.04Å; L150-I168 HydrophobicContact CB-CG1 4.02Å; L150-I168 HydrophobicContact CD1-CG1 3.93Å; E151-I168 HydrophobicContact CG-CD1 3.82Å; R164-I168 HydrophobicContact CG-CD1 3.72Å; R164-I168 HydrophobicContact CG-CG1 4.34Å; R164-I168 WeakPolarHBondContact O-CG1 3.49Å; R164-I168 PolarHBondContact O-N 3.01Å; R165-I168 PolarHBondContact O-N 3.4Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.22Å; I168-Y171 PolarHBondContact O-N 3.44Å; I168-Q172 HydrophobicContact CG2-CG 4.07Å; I168-Q172 WeakPolarHBondContact O-CB 3.4Å; I168-Q172 VanDerWaalsContact O-CG 3.3Å; I168-Q172 WeakPolarHBondContact O-CG 3.39Å; I168-Q172 PolarHBondContact O-N 2.89Å
169T94.8Very high93.6Very high70 Ų7056 Ų5643%0.42928%0.28SS..Hα-helixtrans-57.6-39177.1-60.40000111.9R165 Q166 I167 T173R165-T169 PolarHBondContact O-N 3.04Å; R165-T169 PolarHBondContact O-OG1 2.99Å; Q166-T169 PolarHBondContact O-N 3.28Å; I167-T169 PolarHBondContact O-N 3.27Å; T169-T173 PolarHBondContact O-N 3.07Å; T169-T173 PolarHBondContact O-OG1 2.96Å
170Q94.6Very high94.2Very high61 Ų6155.7 Ų55.729%0.28527%0.27SS..Hα-helixtrans-68-43.6177.4-63.3-60.8-46.300111.9Q166 I167 I168 T173 I174 I524 L528Q166-Q170 WeakPolarHBondContact O-CG 3.31Å; Q166-Q170 PolarHBondContact O-N 3.42Å; I167-Q170 PolarHBondContact O-N 3.5Å; I167-Q170 VanDerWaalsContact O-N 3.14Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.22Å; Q170-T173 WeakPolarHBondContact O-CB 3.33Å; Q170-T173 PolarHBondContact O-N 3.12Å; Q170-I174 PolarHBondContact O-N 3.37Å; Q170-I524 HydrophobicContact CB-CG1 4.35Å; Q170-I524 HydrophobicContact CG-CG2 4.23Å; Q170-L528 HydrophobicContact CB-CD1 3.63Å
171Y95.9Very high94.6Very high32 Ų3253.1 Ų53.113%0.12526%0.262CS..Hα-helixtrans-61.8-44.8173.5-84.6-71.5000112D143 R146 V147 L150 I167 I168 T173 I174 I175 I524 L528D143-Y171 HydrophobicContact CB-CD1 4.28Å; R146-Y171 HydrophobicContact CB-CE1 4.38Å; V147-Y171 HydrophobicContact CG2-CG 4.31Å; L150-Y171 HydrophobicContact CD1-CD2 4.32Å; L150-Y171 HydrophobicContact CD1-CE2 4.42Å; I167-Y171 HydrophobicContact CG2-CD2 3.75Å; I167-Y171 HydrophobicContact CG2-CE2 3.68Å; I167-Y171 WeakPolarHBondContact O-CD2 3.38Å; I167-Y171 PolarHBondContact O-N 2.95Å; I168-Y171 PolarHBondContact O-N 3.44Å; Y171-T173 VanDerWaalsContact C-N 3.27Å; Y171-T173 PolarHBondContact O-N 2.96Å; Y171-I174 PolarHBondContact O-N 3.34Å; Y171-I174 VanDerWaalsContact O-N 3.12Å; Y171-I175 WeakPolarHBondContact O-CB 3.21Å; Y171-I175 VanDerWaalsContact O-CG1 3.28Å; Y171-I175 WeakPolarHBondContact O-CG1 3.38Å; Y171-I175 PolarHBondContact O-N 2.79Å; Y171-I524 HydrophobicContact CE2-CD1 3.99Å; Y171-L528 HydrophobicContact CD1-CD1 4.38Å; Y171-L528 HydrophobicContact CD1-CD2 3.96Å; Y171-L528 HydrophobicContact CE1-CD2 3.57Å; Y171-L528 HydrophobicContact CG-CD1 4.4Å
172Q96.4Very high94.9Very high86 Ų8653 Ų5340%0.40226%0.262SS..Hα-helixtrans-58-39.8176.9-74.3173.9-16.900111.7I168 I174 I175 L176I168-Q172 HydrophobicContact CG2-CG 4.07Å; I168-Q172 WeakPolarHBondContact O-CB 3.4Å; I168-Q172 VanDerWaalsContact O-CG 3.3Å; I168-Q172 WeakPolarHBondContact O-CG 3.39Å; I168-Q172 PolarHBondContact O-N 2.89Å; Q172-I174 PolarHBondContact O-N 3.07Å; Q172-I175 PolarHBondContact O-N 2.74Å; Q172-L176 WeakPolarHBondContact O-CB 3.19Å; Q172-L176 VanDerWaalsContact O-CG 3.27Å; Q172-L176 WeakPolarHBondContact O-CG 3.16Å; Q172-L176 PolarHBondContact O-N 2.91Å
173T96Very high95.3Very high72 Ų7251.6 Ų51.644%0.44226%0.258SS..Hα-helixtrans-61.5-43.5176.1-57.20000111.9T169 Q170 Y171 T177T169-T173 PolarHBondContact O-N 3.07Å; T169-T173 PolarHBondContact O-OG1 2.96Å; Q170-T173 WeakPolarHBondContact O-CB 3.33Å; Q170-T173 PolarHBondContact O-N 3.12Å; Y171-T173 VanDerWaalsContact C-N 3.27Å; Y171-T173 PolarHBondContact O-N 2.96Å; T173-T177 PolarHBondContact O-N 2.87Å; T173-T177 VanDerWaalsContact O-N 3.14Å; T173-T177 PolarHBondContact O-OG1 3.19Å
174I95.7Very high95.6Very high22 Ų2251 Ų5111%0.11326%0.255CS..Hα-helixtrans-70.3-41.2177.3-69.2-66.1000111.7Q170 Y171 Q172 L176 T177 Y178 L528Q170-I174 PolarHBondContact O-N 3.37Å; Y171-I174 PolarHBondContact O-N 3.34Å; Y171-I174 VanDerWaalsContact O-N 3.12Å; Q172-I174 PolarHBondContact O-N 3.07Å; I174-L176 VanDerWaalsContact C-N 3.32Å; I174-L176 PolarHBondContact O-N 2.82Å; I174-T177 WeakPolarHBondContact O-CA 3.19Å; I174-T177 VanDerWaalsContact O-CB 3.31Å; I174-T177 WeakPolarHBondContact O-CB 3.3Å; I174-T177 PolarHBondContact O-N 2.88Å; I174-Y178 HydrophobicContact CG2-CD2 3.68Å; I174-Y178 HydrophobicContact CG2-CE2 3.24Å; I174-Y178 WeakPolarHBondContact O-CD2 3.37Å; I174-Y178 PolarHBondContact O-N 3.41Å; I174-L528 HydrophobicContact CG1-CB 4.06Å; I174-L528 HydrophobicContact CG1-CD1 4.34Å
175I97.1Very high95.7Very high22 Ų2249.6 Ų49.611%0.11325%0.25CS..Hα-helixtrans-58.3-46.1175.9-71.7166.1000110.1L140 D143 V147 Y171 Q172 T177 Y178 Q179L140-I175 HydrophobicContact CD2-CG2 3.97Å; L140-I175 WeakPolarHBondContact CD2-O 3.43Å; D143-I175 HydrophobicContact CB-CD1 4.19Å; D143-I175 HydrophobicContact CB-CG1 3.86Å; V147-I175 HydrophobicContact CG2-CD1 3.84Å; Y171-I175 WeakPolarHBondContact O-CB 3.21Å; Y171-I175 VanDerWaalsContact O-CG1 3.28Å; Y171-I175 WeakPolarHBondContact O-CG1 3.38Å; Y171-I175 PolarHBondContact O-N 2.79Å; Q172-I175 PolarHBondContact O-N 2.74Å; I175-T177 VanDerWaalsContact C-N 3.27Å; I175-T177 PolarHBondContact O-N 2.98Å; I175-Y178 PolarHBondContact O-N 3.29Å; I175-Q179 HydrophobicContact CG2-CG 4.4Å; I175-Q179 WeakPolarHBondContact O-CG 3.09Å; I175-Q179 PolarHBondContact O-N 2.85Å
176L97.4Very high95.8Very high110 Ų11049.5 Ų49.558%0.57626%0.255SS*.Hα-helixtrans-59.4-39.8174.9-72.3169.6000111.7Q172 I174 Q179 E180Q172-L176 WeakPolarHBondContact O-CB 3.19Å; Q172-L176 VanDerWaalsContact O-CG 3.27Å; Q172-L176 WeakPolarHBondContact O-CG 3.16Å; Q172-L176 PolarHBondContact O-N 2.91Å; I174-L176 VanDerWaalsContact C-N 3.32Å; I174-L176 PolarHBondContact O-N 2.82Å; L176-Q179 PolarHBondContact O-N 3.45Å; L176-E180 PolarHBondContact O-N 3.45Å
177T96.3Very high95.9Very high31 Ų3150.9 Ų50.919%0.1926%0.261CS..Hα-helixtrans-63.3-42.4176.4-55.70000111.7T173 I174 I175 E180 T181 Y532T173-T177 PolarHBondContact O-N 2.87Å; T173-T177 VanDerWaalsContact O-N 3.14Å; T173-T177 PolarHBondContact O-OG1 3.19Å; I174-T177 WeakPolarHBondContact O-CA 3.19Å; I174-T177 VanDerWaalsContact O-CB 3.31Å; I174-T177 WeakPolarHBondContact O-CB 3.3Å; I174-T177 PolarHBondContact O-N 2.88Å; I175-T177 VanDerWaalsContact C-N 3.27Å; I175-T177 PolarHBondContact O-N 2.98Å; T177-E180 PolarHBondContact O-N 2.85Å; T177-T181 WeakPolarHBondContact O-CB 3.41Å; T177-T181 PolarHBondContact O-N 3.44Å; T177-T181 PolarHBondContact O-OG1 2.52Å; T177-Y532 HydrophobicContact CG2-CE2 3.81Å
178Y97.9Very high95.9Very high1 Ų152.9 Ų52.90%0.00427%0.269CS..Hα-helixtrans-68.8-34.9174.7-72-45.8000112.9V136 L139 L140 D143 I174 I175 T181 I182 F206 Y532 D535 R625V136-Y178 HydrophobicContact CG1-CD1 4.09Å; V136-Y178 HydrophobicContact CG1-CG 4.35Å; V136-Y178 WeakPolarHBondContact CG1-O 3.41Å; L139-Y178 HydrophobicContact CB-CD2 4.35Å; L139-Y178 HydrophobicContact CB-CE2 4.15Å; L139-Y178 HydrophobicContact CD1-CD1 4.32Å; L139-Y178 HydrophobicContact CD1-CE1 3.7Å; L139-Y178 HydrophobicContact CD1-CE2 4.4Å; L140-Y178 VanDerWaalsContact CD2-CB 3.41Å; L140-Y178 HydrophobicContact CD2-CG 4.46Å; D143-Y178 WeakPolarHBondContact OD2-CE2 3.28Å; I174-Y178 HydrophobicContact CG2-CD2 3.68Å; I174-Y178 HydrophobicContact CG2-CE2 3.24Å; I174-Y178 WeakPolarHBondContact O-CD2 3.37Å; I174-Y178 PolarHBondContact O-N 3.41Å; I175-Y178 PolarHBondContact O-N 3.29Å; Y178-T181 PolarHBondContact O-N 3.24Å; Y178-I182 WeakPolarHBondContact O-CG2 3.42Å; Y178-I182 PolarHBondContact O-N 3.41Å; Y178-F206 HydrophobicContact CD1-CZ 4.27Å; Y178-F206 HydrophobicContact CE1-CE2 4.33Å; Y178-F206 AromaticContact CE1-CZ 3.72Å; Y178-F206 HydrophobicContact CE1-CZ 3.72Å; Y178-Y532 HydrophobicContact CD1-CD2 4.25Å; Y178-Y532 HydrophobicContact CD1-CE2 4.04Å; Y178-Y532 AromaticContact CE1-CD2 3.42Å; Y178-Y532 HydrophobicContact CE1-CD2 3.42Å; Y178-Y532 VanDerWaalsContact CE1-CD2 3.42Å; Y178-Y532 AromaticContact CE1-CE2 3.56Å; Y178-Y532 HydrophobicContact CE1-CE2 3.56Å; Y178-Y532 AromaticContact CZ-CD2 3.64Å; Y178-Y532 WeakPolarHBondContact OH-CD2 3.16Å; Y178-D535 PolarHBondContact OH-OD2 3.31Å; Y178-R625 PolarHBondContact OH-NH2 2.86Å
179Q97.9Very high95.7Very high92 Ų9262 Ų6243%0.4331%0.308SS..Hα-helixtrans-64.7-41.2174.5-75.1175.9-14.700111.9L140 I175 L176 I182 S183L140-Q179 HydrophobicContact CD1-CG 4.34Å; L140-Q179 HydrophobicContact CD2-CG 3.72Å; I175-Q179 HydrophobicContact CG2-CG 4.4Å; I175-Q179 WeakPolarHBondContact O-CG 3.09Å; I175-Q179 PolarHBondContact O-N 2.85Å; L176-Q179 PolarHBondContact O-N 3.45Å; Q179-I182 VanDerWaalsContact O-CG2 3.25Å; Q179-I182 WeakPolarHBondContact O-CG2 3.49Å; Q179-S183 WeakPolarHBondContact O-CB 3.3Å; Q179-S183 PolarHBondContact O-N 3.07Å; Q179-S183 PolarHBondContact O-OG 2.96Å
180E97.1Very high95.3Very high84 Ų8460.3 Ų60.339%0.39331%0.305SS..Hα-helixtrans-62.2-48.3172.1-170.3-176.9-17900110.1L176 T177 I182 S183 D184 R202L176-E180 PolarHBondContact O-N 3.45Å; T177-E180 PolarHBondContact O-N 2.85Å; E180-I182 PolarHBondContact O-N 3.05Å; E180-S183 WeakPolarHBondContact O-CB 3.44Å; E180-S183 PolarHBondContact O-N 3.3Å; E180-S183 VanDerWaalsContact O-N 3.15Å; E180-D184 PolarHBondContact O-N 2.68Å; E180-R202 IonicContact OE1-CZ 2.92Å; E180-R202 IonicContact OE1-NH1 3.07Å; E180-R202 PolarHBondContact OE1-NH1 2.86Å; E180-R202 IonicContact OE1-NH2 3.64Å; E180-R202 IonicContact OE2-CZ 3.41Å; E180-R202 IonicContact OE2-NH1 2.7Å; E180-R202 PolarHBondContact OE2-NH1 3.47Å; E180-R202 IonicContact OE2-NH2 3.69Å; E180-R202 PolarHBondContact OE2-NH2 2.93Å
181T96.5Very high95Very high11 Ų1160.1 Ų60.17%0.06731%0.309CS..Hα-helixtrans-58.9-46.9-179.9-58.50000112.5V136 T177 Y178 S183 D184 L185 F206V136-T181 HydrophobicContact CG2-CG2 4.21Å; T177-T181 WeakPolarHBondContact O-CB 3.41Å; T177-T181 PolarHBondContact O-N 3.44Å; T177-T181 PolarHBondContact O-OG1 2.52Å; Y178-T181 PolarHBondContact O-N 3.24Å; T181-S183 VanDerWaalsContact C-N 3.28Å; T181-S183 PolarHBondContact O-N 3.38Å; T181-D184 PolarHBondContact O-N 3.05Å; T181-L185 HydrophobicContact CG2-CD1 4.23Å; T181-L185 VanDerWaalsContact O-CG 3.28Å; T181-L185 WeakPolarHBondContact O-CG 3.21Å; T181-L185 PolarHBondContact O-N 3.4Å; T181-F206 HydrophobicContact CG2-CD2 3.51Å; T181-F206 HydrophobicContact CG2-CE2 3.95Å; T181-F206 HydrophobicContact CG2-CG 4.29Å
182I96.1Very high94.7Very high24 Ų2460.3 Ų60.312%0.12332%0.315CS..Hα-helixtrans-66.5-34.4179.7-168.159000111.2R133 V136 L140 Y178 Q179 E180 L185 H186R133-I182 HydrophobicContact CB-CD1 4.03Å; R133-I182 HydrophobicContact CG-CD1 4.21Å; R133-I182 VanDerWaalsContact O-CD1 3.25Å; R133-I182 WeakPolarHBondContact O-CD1 3.41Å; V136-I182 HydrophobicContact CB-CD1 4.36Å; V136-I182 HydrophobicContact CG1-CB 3.98Å; L140-I182 HydrophobicContact CD1-CG2 4.01Å; Y178-I182 WeakPolarHBondContact O-CG2 3.42Å; Y178-I182 PolarHBondContact O-N 3.41Å; Q179-I182 VanDerWaalsContact O-CG2 3.25Å; Q179-I182 WeakPolarHBondContact O-CG2 3.49Å; E180-I182 PolarHBondContact O-N 3.05Å; I182-L185 HydrophobicContact CD1-CD1 4.44Å; I182-L185 PolarHBondContact O-N 3.25Å; I182-H186 VanDerWaalsContact CD1-CE1 3.49Å; I182-H186 WeakPolarHBondContact CD1-CE1 3.35Å; I182-H186 PolarHBondContact O-N 3.46Å; I182-H186 VanDerWaalsContact O-N 3.15Å; I182-H186 PolarHBondContact O-ND1 3.03Å
183S97Very high94.5Very high60 Ų6056.5 Ų56.542%0.4230%0.297SS..Hα-helixtrans-65.1-49.2175.5-56.50000110.6Q179 E180 T181 L185 H186 E187Q179-S183 WeakPolarHBondContact O-CB 3.3Å; Q179-S183 PolarHBondContact O-N 3.07Å; Q179-S183 PolarHBondContact O-OG 2.96Å; E180-S183 WeakPolarHBondContact O-CB 3.44Å; E180-S183 PolarHBondContact O-N 3.3Å; E180-S183 VanDerWaalsContact O-N 3.15Å; T181-S183 VanDerWaalsContact C-N 3.28Å; T181-S183 PolarHBondContact O-N 3.38Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.48Å; S183-H186 PolarHBondContact O-N 3.07Å; S183-E187 WeakPolarHBondContact O-CG 3.43Å; S183-E187 PolarHBondContact O-N 3.1Å
184D95.9Very high94.5Very high19 Ų1953.1 Ų53.110%0.10228%0.276CS..Hα-helixtrans-55.8-42.5174.8-77.9-36.7000112.2E180 T181 H186 E187 Y188 K203E180-D184 PolarHBondContact O-N 2.68Å; T181-D184 PolarHBondContact O-N 3.05Å; D184-H186 VanDerWaalsContact C-N 3.31Å; D184-H186 PolarHBondContact O-N 2.98Å; D184-E187 PolarHBondContact O-N 2.92Å; D184-Y188 PolarHBondContact O-N 3.07Å; D184-K203 HydrophobicContact CB-CB 4.07Å; D184-K203 HydrophobicContact CB-CG 4.39Å; D184-K203 IonicContact OD1-NZ 3.92Å; D184-K203 PolarHBondContact OD1-NZ 3.43Å; D184-K203 WeakPolarHBondContact OD2-CG 3.48Å
185L95.2Very high94.4Very high1 Ų152.8 Ų52.81%0.00528%0.275CS..Hα-helixtrans-64.9-31.5177.5-73.2173.7000113.1P132 R133 V136 T181 I182 S183 I207P132-L185 HydrophobicContact CB-CD1 3.8Å; P132-L185 HydrophobicContact CB-CD2 4.27Å; R133-L185 HydrophobicContact CG-CB 3.93Å; R133-L185 HydrophobicContact CG-CD1 4.43Å; R133-L185 VanDerWaalsContact CZ-O 3.29Å; R133-L185 PolarHBondContact NE-O 3.18Å; R133-L185 PolarHBondContact NH2-O 3.01Å; V136-L185 HydrophobicContact CG2-CD1 4.28Å; T181-L185 HydrophobicContact CG2-CD1 4.23Å; T181-L185 VanDerWaalsContact O-CG 3.28Å; T181-L185 WeakPolarHBondContact O-CG 3.21Å; T181-L185 PolarHBondContact O-N 3.4Å; I182-L185 HydrophobicContact CD1-CD1 4.44Å; I182-L185 PolarHBondContact O-N 3.25Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.48Å; L185-I207 HydrophobicContact CD2-CD1 3.72Å; L185-I207 HydrophobicContact CD2-CG1 3.68Å
186H94.6Very high94.2Very high120 Ų12051.8 Ų51.856%0.55627%0.27SS*.Hα-helixtrans-79.4-33.3176.2-75.990.8000112.2I182 S183 D184 Y188I182-H186 VanDerWaalsContact CD1-CE1 3.49Å; I182-H186 WeakPolarHBondContact CD1-CE1 3.35Å; I182-H186 PolarHBondContact O-N 3.46Å; I182-H186 VanDerWaalsContact O-N 3.15Å; I182-H186 PolarHBondContact O-ND1 3.03Å; S183-H186 PolarHBondContact O-N 3.07Å; D184-H186 VanDerWaalsContact C-N 3.31Å; D184-H186 PolarHBondContact O-N 2.98Å; H186-Y188 VanDerWaalsContact C-N 3.31Å
187E94.4Very high93.9Very high136 Ų13649.8 Ų49.864%0.63626%0.263SS*.Hα-helixtrans-75.2-19.8177.2-70.5-178.2-176.300113.5S183 D184 K189S183-E187 WeakPolarHBondContact O-CG 3.43Å; S183-E187 PolarHBondContact O-N 3.1Å; D184-E187 PolarHBondContact O-N 2.92Å; E187-K189 PolarHBondContact O-N 3.41Å
188Y93Very high93.8Very high43 Ų4351.4 Ų51.417%0.16927%0.27CS..  trans-62.8118.1-179.6-175.7-101.7000113.1L129 D184 H186 G190 P191 L204L129-Y188 HydrophobicContact CD1-CD1 3.91Å; L129-Y188 HydrophobicContact CD1-CE1 4.12Å; L129-Y188 HydrophobicContact CD2-CD1 3.55Å; L129-Y188 HydrophobicContact CD2-CE1 3.86Å; L129-Y188 HydrophobicContact CD2-CG 4.48Å; L129-Y188 HydrophobicContact CG-CD1 4.4Å; D184-Y188 PolarHBondContact O-N 3.07Å; H186-Y188 VanDerWaalsContact C-N 3.31Å; Y188-G190 VanDerWaalsContact CZ-CA 3.41Å; Y188-P191 WeakPolarHBondContact CE1-O 3.48Å; Y188-P191 WeakPolarHBondContact OH-CD 3.19Å; Y188-L204 HydrophobicContact CD2-CD2 3.48Å; Y188-L204 VanDerWaalsContact CD2-CD2 3.48Å; Y188-L204 HydrophobicContact CE2-CD1 3.95Å; Y188-L204 HydrophobicContact CE2-CD2 3.68Å; Y188-L204 HydrophobicContact CE2-CG 4.5Å; Y188-L204 HydrophobicContact CG-CD2 4.12Å
189K89.6Confident93.5Very high205 Ų20553.3 Ų53.389%0.89128%0.278SS*.  trans-111.214.8177.9-63.1-179-176.6178.40113.9E187E187-K189 PolarHBondContact O-N 3.41Å
190G87.2Confident93.3Very high35 Ų3551.5 Ų51.536%0.36128%0.279SS..SBendtrans-80.5-169.4-178.300000114Y188Y188-G190 VanDerWaalsContact CZ-CA 3.41Å
191P88.3Confident93.2Very high57 Ų5751.2 Ų51.237%0.3728%0.278SS..  trans-61.6164.7178.526.3-36.2000113.1Y188 F193Y188-P191 WeakPolarHBondContact CE1-O 3.48Å; Y188-P191 WeakPolarHBondContact OH-CD 3.19Å; P191-F193 HydrophobicContact CB-CD1 3.86Å; P191-F193 HydrophobicContact CB-CE1 3.7Å; P191-F193 HydrophobicContact CG-CD1 4.34Å; P191-F193 HydrophobicContact CG-CE1 4.04Å; P191-F193 HydrophobicContact CG-CZ 4.49Å; P191-F193 PolarHBondContact O-N 2.92Å
192S88.5Confident93.1Very high36 Ų3655.2 Ų55.225%0.25229%0.291SS..SBendtrans-76.423.6-179-63.70000113.7E124 S128E124-S192 PolarHBondContact OE2-N 3.4Å; S128-S192 VanDerWaalsContact CB-O 3.28Å; S128-S192 WeakPolarHBondContact CB-O 3.35Å; S128-S192 PolarHBondContact OG-O 3.24Å
193F93Very high93Very high6 Ų658.7 Ų58.73%0.02631%0.306CS..SBendtrans-153.2157.6175.275.1-79.5000109.9E124 P191 P195 H212 K804E124-F193 VanDerWaalsContact CD-CD1 3.48Å; E124-F193 HydrophobicContact CG-CD1 3.74Å; E124-F193 HydrophobicContact CG-CE1 4.33Å; P191-F193 HydrophobicContact CB-CD1 3.86Å; P191-F193 HydrophobicContact CB-CE1 3.7Å; P191-F193 HydrophobicContact CG-CD1 4.34Å; P191-F193 HydrophobicContact CG-CE1 4.04Å; P191-F193 HydrophobicContact CG-CZ 4.49Å; P191-F193 PolarHBondContact O-N 2.92Å; F193-P195 HydrophobicContact CE2-CB 4.26Å; F193-P195 HydrophobicContact CE2-CG 3.98Å; F193-P195 HydrophobicContact CZ-CG 4.25Å; F193-P195 WeakPolarHBondContact O-CD 3.47Å; F193-H212 AromaticContact CD2-CE1 3.63Å; F193-H212 AromaticContact CE2-CE1 4Å; F193-H212 AromaticContact CG-CE1 3.79Å; F193-K804 HydrophobicContact CE1-CD 4.27Å; F193-K804 HydrophobicContact CZ-CB 3.89Å; F193-K804 HydrophobicContact CZ-CD 4.4Å
194K95.2Very high92.9Very high1 Ų156.3 Ų56.30%0.00429%0.288CS..BIsolated β-bridgetrans-87.9114.3173.2177.4170.173.8-177.90111.3L198 L204 I207 T209 N210K194-L198 HydrophobicContact CG-CB 4.39Å; K194-L204 HydrophobicContact CD-CB 3.65Å; K194-L204 WeakPolarHBondContact CD-O 3.42Å; K194-L204 HydrophobicContact CG-CB 4.38Å; K194-L204 HydrophobicContact CG-CD1 4.43Å; K194-L204 PolarHBondContact NZ-O 2.88Å; K194-I207 HydrophobicContact CB-CB 4.2Å; K194-I207 HydrophobicContact CB-CG2 3.57Å; K194-I207 HydrophobicContact CD-CB 4.42Å; K194-I207 WeakPolarHBondContact CE-O 3.41Å; K194-I207 PolarHBondContact NZ-O 2.83Å; K194-T209 WeakPolarHBondContact CE-OG1 3.33Å; K194-N210 WeakPolarHBondContact O-CA 3.05Å; K194-N210 PolarHBondContact O-N 2.96Å
195P94.2Very high92.9Very high14 Ų1455.6 Ų55.69%0.09128%0.284CS..  trans-59.1149.3173.3-2334.2000112.6F193 T197 L198 N805F193-P195 HydrophobicContact CE2-CB 4.26Å; F193-P195 HydrophobicContact CE2-CG 3.98Å; F193-P195 HydrophobicContact CZ-CG 4.25Å; F193-P195 WeakPolarHBondContact O-CD 3.47Å; P195-T197 PolarHBondContact O-N 2.67Å; P195-L198 HydrophobicContact CG-CD1 4.4Å; P195-L198 PolarHBondContact O-N 2.81Å; P195-N805 WeakPolarHBondContact CA-OD1 3.46Å
196S92.3Very high93Very high1 Ų155.6 Ų55.61%0.00728%0.284CS..G310 helixtrans-65.1-22.9-177.464.20000114.5L198 K199 N805S196-L198 VanDerWaalsContact C-N 3.3Å; S196-K199 WeakPolarHBondContact O-CB 3.27Å; S196-K199 WeakPolarHBondContact O-CD 3.18Å; S196-K199 WeakPolarHBondContact O-CG 3.27Å; S196-K199 PolarHBondContact O-N 3.46Å; S196-K199 PolarHBondContact O-NZ 3.25Å; S196-N805 PolarHBondContact N-OD1 3.46Å; S196-N805 PolarHBondContact OG-OD1 3.43Å
197T91.9Very high93.1Very high69 Ų6949.9 Ų49.942%0.42326%0.257SS..G310 helixtrans-69.5-30.4174.347.50000111.4P195 K199 N805 V806P195-T197 PolarHBondContact O-N 2.67Å; T197-K199 VanDerWaalsContact C-N 3.34Å; T197-N805 WeakPolarHBondContact CG2-O 3.48Å; T197-V806 HydrophobicContact CG2-CG1 3.97Å
198L93.7Very high93.3Very high65 Ų6543.4 Ų43.434%0.3423%0.227SC..G310 helixtrans-93.314.9178.2-56.4-177.3000112.8K194 P195 S196 A200 E201 L204K194-L198 HydrophobicContact CG-CB 4.39Å; P195-L198 HydrophobicContact CG-CD1 4.4Å; P195-L198 PolarHBondContact O-N 2.81Å; S196-L198 VanDerWaalsContact C-N 3.3Å; L198-A200 PolarHBondContact O-N 3.05Å; L198-E201 HydrophobicContact CB-CB 4.19Å; L198-E201 WeakPolarHBondContact O-CB 3.42Å; L198-E201 PolarHBondContact O-N 3.41Å; L198-E201 VanDerWaalsContact O-N 3.07Å; L198-L204 HydrophobicContact CB-CD1 4.21Å; L198-L204 HydrophobicContact CD1-CD1 3.95Å
199K93.1Very high93.5Very high41 Ų4141.3 Ų41.318%0.17822%0.219CC..THydrogen-bonded Turntrans-59.2-32.3-176.366.1-178.1171.7-85.70113.4S196 T197 T209 H239S196-K199 WeakPolarHBondContact O-CB 3.27Å; S196-K199 WeakPolarHBondContact O-CD 3.18Å; S196-K199 WeakPolarHBondContact O-CG 3.27Å; S196-K199 PolarHBondContact O-N 3.46Å; S196-K199 PolarHBondContact O-NZ 3.25Å; T197-K199 VanDerWaalsContact C-N 3.34Å; K199-T209 HydrophobicContact CB-CG2 4.07Å; K199-H239 VanDerWaalsContact O-CB 3.25Å; K199-H239 WeakPolarHBondContact O-CB 3.43Å
200A92.7Very high93.9Very high53 Ų5331.6 Ų31.644%0.43818%0.177SC..THydrogen-bonded Turntrans-94.32.4-179.700000113.7L198 R202 H240L198-A200 PolarHBondContact O-N 3.05Å; A200-R202 PolarHBondContact O-N 2.99Å; A200-H240 PolarHBondContact O-ND1 2.92Å; A200-H240 VanDerWaalsContact O-ND1 3.07Å
201E94.8Very high94.4Very high79 Ų7929.9 Ų29.937%0.36916%0.16SC..  trans-67.9124178.5-176.454.7-132.900110.4L198 K203 L204 E205L198-E201 HydrophobicContact CB-CB 4.19Å; L198-E201 WeakPolarHBondContact O-CB 3.42Å; L198-E201 PolarHBondContact O-N 3.41Å; L198-E201 VanDerWaalsContact O-N 3.07Å; E201-K203 HydrophobicContact CG-CB 4.36Å; E201-K203 PolarHBondContact O-N 3.47Å; E201-L204 HydrophobicContact CB-CB 4.46Å; E201-L204 HydrophobicContact CB-CD1 4.47Å; E201-L204 HydrophobicContact CB-CG 4.44Å; E201-L204 HydrophobicContact CG-CB 4.48Å; E201-L204 HydrophobicContact CG-CD1 4.22Å; E201-L204 HydrophobicContact CG-CG 4.02Å; E201-L204 PolarHBondContact O-N 3.45Å; E201-E205 PolarHBondContact O-N 2.73Å
202R94.1Very high94.8Very high95 Ų9527.2 Ų27.236%0.35814%0.142SC..G310 helixtrans-59.2-47.2-176.7-172.3175.1174.3-131.4-7.5111.6E180 A200 L204 E205 H240E180-R202 IonicContact OE1-CZ 2.92Å; E180-R202 IonicContact OE1-NH1 3.07Å; E180-R202 PolarHBondContact OE1-NH1 2.86Å; E180-R202 IonicContact OE1-NH2 3.64Å; E180-R202 IonicContact OE2-CZ 3.41Å; E180-R202 IonicContact OE2-NH1 2.7Å; E180-R202 PolarHBondContact OE2-NH1 3.47Å; E180-R202 IonicContact OE2-NH2 3.69Å; E180-R202 PolarHBondContact OE2-NH2 2.93Å; A200-R202 PolarHBondContact O-N 2.99Å; R202-L204 PolarHBondContact O-N 3.03Å; R202-L204 VanDerWaalsContact O-N 3.07Å; R202-E205 VanDerWaalsContact O-CB 3.32Å; R202-E205 WeakPolarHBondContact O-CB 3.29Å; R202-E205 PolarHBondContact O-N 2.87Å; R202-E205 VanDerWaalsContact O-N 3.12Å; R202-H240 VanDerWaalsContact CB-CE1 3.47Å; R202-H240 WeakPolarHBondContact CB-CE1 3.24Å; R202-H240 WeakPolarHBondContact CD-NE2 3.41Å; R202-H240 WeakPolarHBondContact CG-NE2 3.46Å
203K94.4Very high95.2Very high97 Ų9725.5 Ų25.542%0.42213%0.13SC..G310 helixtrans-60.8-22.8-175.7-60-172.4167.1-113.30113.5D184 E201D184-K203 HydrophobicContact CB-CB 4.07Å; D184-K203 HydrophobicContact CB-CG 4.39Å; D184-K203 IonicContact OD1-NZ 3.92Å; D184-K203 PolarHBondContact OD1-NZ 3.43Å; D184-K203 WeakPolarHBondContact OD2-CG 3.48Å; E201-K203 HydrophobicContact CG-CB 4.36Å; E201-K203 PolarHBondContact O-N 3.47Å
204L95.3Very high95.4Very high9 Ų925.2 Ų25.25%0.04713%0.129CC..G310 helixtrans-113.515.8-175.2-49.5-179.8000111.9Y188 K194 L198 E201 R202 F206 I207Y188-L204 HydrophobicContact CD2-CD2 3.48Å; Y188-L204 VanDerWaalsContact CD2-CD2 3.48Å; Y188-L204 HydrophobicContact CE2-CD1 3.95Å; Y188-L204 HydrophobicContact CE2-CD2 3.68Å; Y188-L204 HydrophobicContact CE2-CG 4.5Å; Y188-L204 HydrophobicContact CG-CD2 4.12Å; K194-L204 HydrophobicContact CD-CB 3.65Å; K194-L204 WeakPolarHBondContact CD-O 3.42Å; K194-L204 HydrophobicContact CG-CB 4.38Å; K194-L204 HydrophobicContact CG-CD1 4.43Å; K194-L204 PolarHBondContact NZ-O 2.88Å; L198-L204 HydrophobicContact CB-CD1 4.21Å; L198-L204 HydrophobicContact CD1-CD1 3.95Å; E201-L204 HydrophobicContact CB-CB 4.46Å; E201-L204 HydrophobicContact CB-CD1 4.47Å; E201-L204 HydrophobicContact CB-CG 4.44Å; E201-L204 HydrophobicContact CG-CB 4.48Å; E201-L204 HydrophobicContact CG-CD1 4.22Å; E201-L204 HydrophobicContact CG-CG 4.02Å; E201-L204 PolarHBondContact O-N 3.45Å; R202-L204 PolarHBondContact O-N 3.03Å; R202-L204 VanDerWaalsContact O-N 3.07Å; L204-F206 VanDerWaalsContact C-N 3.3Å; L204-F206 PolarHBondContact O-N 2.76Å; L204-I207 HydrophobicContact CB-CD1 4.1Å; L204-I207 HydrophobicContact CD2-CD1 3.67Å; L204-I207 HydrophobicContact CG-CD1 4.42Å; L204-I207 PolarHBondContact O-N 3.09Å; L204-I207 VanDerWaalsContact O-N 3.09Å
205E95.6Very high95.4Very high5 Ų525.2 Ų25.22%0.02313%0.129CC..THydrogen-bonded Turntrans-59-40.6-172.9-165.8-178-161.900111.8E201 R202 I207 H240 Q241 Y532 V536 Q540E201-E205 PolarHBondContact O-N 2.73Å; R202-E205 VanDerWaalsContact O-CB 3.32Å; R202-E205 WeakPolarHBondContact O-CB 3.29Å; R202-E205 PolarHBondContact O-N 2.87Å; R202-E205 VanDerWaalsContact O-N 3.12Å; E205-I207 VanDerWaalsContact C-N 3.33Å; E205-I207 PolarHBondContact O-N 3.48Å; E205-H240 HydrophobicContact CG-CB 4.18Å; E205-Q241 PolarHBondContact OE1-NE2 3.07Å; E205-Y532 VanDerWaalsContact OE2-CE1 3.32Å; E205-Y532 WeakPolarHBondContact OE2-CE1 3.13Å; E205-Y532 PolarHBondContact OE2-OH 2.88Å; E205-V536 HydrophobicContact CG-CG1 3.7Å; E205-V536 HydrophobicContact CG-CG2 3.97Å; E205-Q540 PolarHBondContact O-NE2 3.47Å
206F97.5Very high95.4Very high0 Ų024.6 Ų24.60%013%0.125CC..THydrogen-bonded Turntrans-73-19.2178.4-80.9-98.1000114.9P132 F135 V136 L139 Y178 T181 L204 Y532 D535 V536 C539P132-F206 HydrophobicContact CB-CB 4.07Å; F135-F206 HydrophobicContact CD1-CD1 4.25Å; F135-F206 HydrophobicContact CD1-CE1 4.17Å; F135-F206 HydrophobicContact CE1-CE1 4.21Å; V136-F206 HydrophobicContact CG2-CD1 3.69Å; V136-F206 HydrophobicContact CG2-CD2 4.31Å; V136-F206 HydrophobicContact CG2-CE1 3.94Å; V136-F206 HydrophobicContact CG2-CE2 4.5Å; V136-F206 HydrophobicContact CG2-CG 3.93Å; V136-F206 HydrophobicContact CG2-CZ 4.37Å; L139-F206 HydrophobicContact CD1-CE1 4.21Å; Y178-F206 HydrophobicContact CD1-CZ 4.27Å; Y178-F206 HydrophobicContact CE1-CE2 4.33Å; Y178-F206 AromaticContact CE1-CZ 3.72Å; Y178-F206 HydrophobicContact CE1-CZ 3.72Å; T181-F206 HydrophobicContact CG2-CD2 3.51Å; T181-F206 HydrophobicContact CG2-CE2 3.95Å; T181-F206 HydrophobicContact CG2-CG 4.29Å; L204-F206 VanDerWaalsContact C-N 3.3Å; L204-F206 PolarHBondContact O-N 2.76Å; F206-Y532 AromaticContact CE2-CE2 3.9Å; F206-Y532 HydrophobicContact CE2-CE2 3.9Å; F206-Y532 AromaticContact CE2-CZ 3.9Å; F206-Y532 HydrophobicContact CZ-CE2 4.13Å; F206-D535 HydrophobicContact CE1-CB 4.35Å; F206-D535 HydrophobicContact CZ-CB 4.49Å; F206-V536 HydrophobicContact CD2-CG2 4.02Å; F206-V536 HydrophobicContact CE1-CG2 4.14Å; F206-V536 HydrophobicContact CE2-CG2 3.5Å; F206-V536 HydrophobicContact CZ-CB 4.43Å; F206-V536 HydrophobicContact CZ-CG2 3.52Å; F206-C539 HydrophobicContact CD1-CB 3.65Å; F206-C539 HydrophobicContact CE1-CB 4.24Å; F206-C539 PolarHBondContact O-SG 2.97Å
207I97.7Very high95.2Very high0 Ų025.3 Ų25.30%013%0.127CC..SBendtrans-77.2132.3-179.3-61.3170.2000108.8S128 L129 P132 L185 K194 L204 E205 T209S128-I207 WeakPolarHBondContact O-CG2 3.48Å; L129-I207 HydrophobicContact CD2-CD1 3.44Å; L129-I207 VanDerWaalsContact CD2-CD1 3.44Å; L129-I207 HydrophobicContact CD2-CG1 4.14Å; P132-I207 HydrophobicContact CG-CG1 4.4Å; L185-I207 HydrophobicContact CD2-CD1 3.72Å; L185-I207 HydrophobicContact CD2-CG1 3.68Å; K194-I207 HydrophobicContact CB-CB 4.2Å; K194-I207 HydrophobicContact CB-CG2 3.57Å; K194-I207 HydrophobicContact CD-CB 4.42Å; K194-I207 WeakPolarHBondContact CE-O 3.41Å; K194-I207 PolarHBondContact NZ-O 2.83Å; L204-I207 HydrophobicContact CB-CD1 4.1Å; L204-I207 HydrophobicContact CD2-CD1 3.67Å; L204-I207 HydrophobicContact CG-CD1 4.42Å; L204-I207 PolarHBondContact O-N 3.09Å; L204-I207 VanDerWaalsContact O-N 3.09Å; E205-I207 VanDerWaalsContact C-N 3.33Å; E205-I207 PolarHBondContact O-N 3.48Å; I207-T209 PolarHBondContact O-N 3.44Å
208P97.7Very high95.1Very high0 Ų022 Ų220%011%0.107CC..PPolyproline II helixtrans-64.7132.217627-35.5000111.9N210 L211 I233 Q540 T543P208-N210 PolarHBondContact O-N 3.17Å; P208-L211 HydrophobicContact CB-CB 4.05Å; P208-L211 HydrophobicContact CB-CD2 4.27Å; P208-L211 HydrophobicContact CG-CB 3.88Å; P208-L211 HydrophobicContact CG-CD2 3.59Å; P208-L211 HydrophobicContact CG-CG 4.35Å; P208-I233 HydrophobicContact CB-CD1 3.45Å; P208-I233 VanDerWaalsContact CB-CD1 3.45Å; P208-I233 HydrophobicContact CB-CG1 4Å; P208-Q540 HydrophobicContact CB-CB 4.19Å; P208-Q540 HydrophobicContact CB-CG 4.45Å; P208-T543 HydrophobicContact CG-CG2 3.8Å
209T97.4Very high94.5Very high0 Ų021.2 Ų21.20%010%0.102CC..BIsolated β-bridgetrans-67.1124.9178.6-54.40000110.5K194 K199 I207 L211 G234K194-T209 WeakPolarHBondContact CE-OG1 3.33Å; K199-T209 HydrophobicContact CB-CG2 4.07Å; I207-T209 PolarHBondContact O-N 3.44Å; T209-L211 VanDerWaalsContact C-N 3.26Å; T209-L211 PolarHBondContact O-N 3.14Å; T209-L211 VanDerWaalsContact O-N 3.17Å; T209-G234 PolarHBondContact O-N 3.47Å
210N96.8Very high93.1Very high0 Ų020.4 Ų20.40%011%0.105CC..THydrogen-bonded Turntrans53.235.4170.9-160.217.9000114.8K194 P208 H212 S757 A758 N801 N805K194-N210 WeakPolarHBondContact O-CA 3.05Å; K194-N210 PolarHBondContact O-N 2.96Å; P208-N210 PolarHBondContact O-N 3.17Å; N210-H212 PolarHBondContact O-N 3.13Å; N210-H212 PolarHBondContact O-ND1 3.33Å; N210-H212 PolarHBondContact OD1-CE1 3.22Å; N210-H212 PolarHBondContact OD1-ND1 2.7Å; N210-H212 VanDerWaalsContact OD1-ND1 3.08Å; N210-S757 VanDerWaalsContact CB-O 3.25Å; N210-S757 WeakPolarHBondContact CB-O 3.3Å; N210-S757 PolarHBondContact ND2-O 3.42Å; N210-A758 HydrophobicContact CB-CB 4.04Å; N210-A758 VanDerWaalsContact ND2-C 3.31Å; N210-A758 PolarHBondContact ND2-O 2.93Å; N210-A758 VanDerWaalsContact ND2-O 3.17Å; N210-N801 PolarHBondContact ND2-OD1 2.92Å; N210-N801 VanDerWaalsContact ND2-OD1 3.09Å; N210-N801 PolarHBondContact OD1-ND2 3.22Å; N210-N801 VanDerWaalsContact OD1-ND2 3.16Å; N210-N801 PolarHBondContact OD1-OD1 3.24Å; N210-N805 PolarHBondContact ND2-ND2 3.22Å; N210-N805 PolarHBondContact OD1-ND2 3.14Å
211L97.8Very high91.3Very high0 Ų024.3 Ų24.30%011%0.114CC..  trans-66.9117.5179.4-179.962.2000111.8P208 T209 V231 T232 I233 T543 A544P208-L211 HydrophobicContact CB-CB 4.05Å; P208-L211 HydrophobicContact CB-CD2 4.27Å; P208-L211 HydrophobicContact CG-CB 3.88Å; P208-L211 HydrophobicContact CG-CD2 3.59Å; P208-L211 HydrophobicContact CG-CG 4.35Å; T209-L211 VanDerWaalsContact C-N 3.26Å; T209-L211 PolarHBondContact O-N 3.14Å; T209-L211 VanDerWaalsContact O-N 3.17Å; L211-V231 HydrophobicContact CD1-CG1 3.46Å; L211-V231 VanDerWaalsContact CD1-CG1 3.46Å; L211-T232 WeakPolarHBondContact CA-O 3.42Å; L211-I233 HydrophobicContact CD1-CB 3.95Å; L211-I233 HydrophobicContact CD1-CD1 4.35Å; L211-I233 HydrophobicContact CD1-CG1 4.19Å; L211-T543 HydrophobicContact CD2-CG2 3.79Å; L211-A544 HydrophobicContact CD1-CB 3.91Å
212H97.4Very high89.4Confident0 Ų025.9 Ų25.90%013%0.13CC..EExtended strand (participates in β ladder)trans-139.4153.2178.2-68.581.6000111.9M122 A123 F193 N210 T232 N801M122-H212 HydrophobicContact CG-CB 4.04Å; M122-H212 HydrophobicContact SD-CB 4.21Å; A123-H212 CarbonylContact O-C 3.18Å; A123-H212 VanDerWaalsContact O-CA 3.27Å; A123-H212 WeakPolarHBondContact O-CA 3.46Å; A123-H212 WeakPolarHBondContact O-CB 3.41Å; A123-H212 PolarHBondContact O-CD2 3.17Å; F193-H212 AromaticContact CD2-CE1 3.63Å; F193-H212 AromaticContact CE2-CE1 4Å; F193-H212 AromaticContact CG-CE1 3.79Å; N210-H212 PolarHBondContact O-N 3.13Å; N210-H212 PolarHBondContact O-ND1 3.33Å; N210-H212 PolarHBondContact OD1-CE1 3.22Å; N210-H212 PolarHBondContact OD1-ND1 2.7Å; N210-H212 VanDerWaalsContact OD1-ND1 3.08Å; H212-T232 PolarHBondContact N-O 3.09Å; H212-T232 PolarHBondContact O-N 2.98Å; H212-T232 PolarHBondContact O-OG1 2.84Å; H212-N801 PolarHBondContact ND1-ND2 2.82Å
213I96.9Very high87.3Confident0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-95.5131.1171.3-58.1164.9000107.4C98 M122 A123 C547 L551C98-I213 HydrophobicContact CB-CD1 4.29Å; C98-I213 WeakPolarHBondContact SG-CD1 3.33Å; M122-I213 CarbonylContact C-O 3.26Å; M122-I213 VanDerWaalsContact CA-O 3.27Å; M122-I213 WeakPolarHBondContact CA-O 3.29Å; A123-I213 HydrophobicContact CB-CB 4.33Å; A123-I213 PolarHBondContact N-O 3.17Å; A123-I213 PolarHBondContact O-N 3.29Å; I213-C547 VanDerWaalsContact CD1-SG 3.52Å; I213-C547 WeakPolarHBondContact CG1-SG 3.43Å; I213-L551 HydrophobicContact CB-CD1 4.25Å; I213-L551 HydrophobicContact CD1-CD1 3.99Å; I213-L551 HydrophobicContact CD1-CD2 4.32Å; I213-L551 HydrophobicContact CD1-CG 4.47Å; I213-L551 HydrophobicContact CG1-CD1 3.85Å; I213-L551 HydrophobicContact CG2-CD1 3.48Å; I213-L551 VanDerWaalsContact CG2-CD1 3.48Å; I213-L551 HydrophobicContact CG2-CD2 4.02Å; I213-L551 HydrophobicContact CG2-CG 4.41Å
214Q96.8Very high85.3Confident1 Ų127 Ų271%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-116.9117.1175.7-51.5-65.4-28.300108.1Q121 M122 D229 V230 T232 L766Q121-Q214 WeakPolarHBondContact O-CA 3.36Å; M122-Q214 VanDerWaalsContact CG-NE2 3.32Å; M122-Q214 PolarHBondContact SD-NE2 3.34Å; Q214-D229 WeakPolarHBondContact O-CA 3.25Å; Q214-V230 WeakPolarHBondContact CA-O 3.26Å; Q214-V230 HydrophobicContact CB-CB 4.48Å; Q214-V230 WeakPolarHBondContact CB-O 3.25Å; Q214-V230 PolarHBondContact N-O 3.45Å; Q214-V230 PolarHBondContact O-N 3.44Å; Q214-T232 HydrophobicContact CG-CG2 3.53Å; Q214-T232 PolarHBondContact NE2-OG1 3.39Å; Q214-L766 HydrophobicContact CB-CD1 3.84Å; Q214-L766 HydrophobicContact CB-CD2 3.8Å; Q214-L766 HydrophobicContact CB-CG 4.43Å; Q214-L766 HydrophobicContact CG-CD1 4.04Å; Q214-L766 HydrophobicContact CG-CD2 3.48Å; Q214-L766 VanDerWaalsContact CG-CD2 3.48Å; Q214-L766 HydrophobicContact CG-CG 4.4Å
215R94.8Very high84.3Confident0 Ų028.9 Ų28.90%016%0.161CC..EExtended strand (participates in β ladder)trans-120.2124.5-178.2173.3166.3-73.4-174.2-11109.8S86 L88 E120 Q121 R217 T227 Y228 D229 N555S86-R215 PolarHBondContact O-NH1 3.23Å; L88-R215 HydrophobicContact CD1-CB 4.28Å; E120-R215 CarbonylContact C-O 3.46Å; E120-R215 WeakPolarHBondContact CA-O 3.4Å; Q121-R215 HydrophobicContact CB-CB 4.28Å; Q121-R215 PolarHBondContact N-O 3.29Å; Q121-R215 PolarHBondContact O-N 3.38Å; R215-R217 HydrophobicContact CG-CG 4.2Å; R215-T227 HydrophobicContact CG-CG2 3.98Å; R215-Y228 CarbonylContact C-O 3.57Å; R215-Y228 WeakPolarHBondContact CA-O 3.34Å; R215-D229 VanDerWaalsContact CB-OD1 3.26Å; R215-D229 WeakPolarHBondContact CB-OD1 3.41Å; R215-D229 VanDerWaalsContact CG-OD1 3.27Å; R215-D229 WeakPolarHBondContact CG-OD1 3.38Å; R215-D229 IonicContact CZ-OD1 2.7Å; R215-D229 IonicContact CZ-OD2 3.16Å; R215-D229 IonicContact NE-OD1 2.76Å; R215-D229 PolarHBondContact NE-OD1 2.81Å; R215-D229 IonicContact NE-OD2 3.75Å; R215-D229 PolarHBondContact NE-OD2 3.1Å; R215-D229 IonicContact NH2-OD1 2.75Å; R215-D229 IonicContact NH2-OD2 3.19Å; R215-D229 PolarHBondContact NH2-OD2 2.93Å; R215-N555 PolarHBondContact NH2-ND2 3.43Å; R215-N555 PolarHBondContact NH2-OD1 2.9Å
216M94.1Very high83.8Confident1 Ų133 Ų331%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-109.1123.5168.7-177.3176.771.300108.7V118 L119 V218 Y228 Q770 I773 L774V118-M216 HydrophobicContact CG1-CG 3.63Å; V118-M216 HydrophobicContact CG1-SD 3.95Å; L119-M216 CarbonylContact O-C 3.32Å; L119-M216 WeakPolarHBondContact O-CA 3.49Å; M216-V218 HydrophobicContact CE-CG2 4.19Å; M216-V218 HydrophobicContact CG-CG2 4.23Å; M216-V218 HydrophobicContact SD-CG2 4.48Å; M216-Y228 HydrophobicContact CE-CD2 3.83Å; M216-Y228 HydrophobicContact CE-CE2 4.45Å; M216-Y228 HydrophobicContact CE-CG 4.25Å; M216-Y228 PolarHBondContact N-O 2.99Å; M216-Y228 PolarHBondContact O-N 3.05Å; M216-Q770 HydrophobicContact CB-CG 4.36Å; M216-Q770 HydrophobicContact CE-CB 4.27Å; M216-Q770 HydrophobicContact CE-CG 4.37Å; M216-Q770 HydrophobicContact SD-CB 3.7Å; M216-Q770 HydrophobicContact SD-CG 3.88Å; M216-I773 HydrophobicContact CE-CB 4.04Å; M216-I773 HydrophobicContact CE-CG2 3.79Å; M216-L774 HydrophobicContact CE-CD2 4.14Å; M216-L774 HydrophobicContact CE-CG 4.14Å; M216-L774 HydrophobicContact SD-CD1 4.13Å; M216-L774 HydrophobicContact SD-CD2 3.99Å; M216-L774 HydrophobicContact SD-CG 3.93Å
217R89.9Confident83.5Confident16 Ų1635 Ų356%0.0619%0.188CC..EExtended strand (participates in β ladder)trans-108.6139.6168.6-64.1-171.7177.3170.59.4111.2S86 V118 L119 R215 W226 T227S86-R217 VanDerWaalsContact CB-NH2 3.25Å; S86-R217 PolarHBondContact O-NH2 2.92Å; S86-R217 PolarHBondContact OG-NH1 2.71Å; S86-R217 PolarHBondContact OG-NH2 3.11Å; V118-R217 CarbonylContact C-O 3.52Å; V118-R217 VanDerWaalsContact CA-O 3.31Å; V118-R217 WeakPolarHBondContact CA-O 3.43Å; L119-R217 HydrophobicContact CB-CB 4.25Å; L119-R217 PolarHBondContact N-O 3.46Å; L119-R217 PolarHBondContact O-N 3.34Å; R215-R217 HydrophobicContact CG-CG 4.2Å; R217-W226 CarbonylContact C-O 3.55Å; R217-W226 WeakPolarHBondContact CA-O 3.28Å; R217-T227 HydrophobicContact CG-CG2 4.38Å
218V89.3Confident83.3Confident1 Ų136.8 Ų36.81%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-124.3118.2178.9-170.70000107.9R117 V118 M216 W226 Y228 L774 H778R117-V218 WeakPolarHBondContact O-CA 3.46Å; V118-V218 HydrophobicContact CG2-CG1 4.5Å; V118-V218 HydrophobicContact CG2-CG2 4.5Å; M216-V218 HydrophobicContact CE-CG2 4.19Å; M216-V218 HydrophobicContact CG-CG2 4.23Å; M216-V218 HydrophobicContact SD-CG2 4.48Å; V218-W226 HydrophobicContact CB-CB 4.47Å; V218-W226 PolarHBondContact N-O 3.2Å; V218-W226 PolarHBondContact O-N 3.49Å; V218-Y228 HydrophobicContact CG2-CE2 4.31Å; V218-L774 HydrophobicContact CG1-CD2 4.26Å; V218-L774 HydrophobicContact CG2-CD2 3.58Å; V218-H778 HydrophobicContact CG1-CB 4.22Å
219Q81.3Confident83.2Confident47 Ų4738.4 Ų38.422%0.2220%0.204CC..EExtended strand (participates in β ladder)trans-94.4117.2175.3-43.5-159.8-57.700108.7R117 D225R117-Q219 HydrophobicContact CB-CB 4.21Å; R117-Q219 HydrophobicContact CB-CG 4.48Å; R117-Q219 PolarHBondContact O-N 2.79Å; Q219-D225 WeakPolarHBondContact CG-OD1 3.25Å; Q219-D225 PolarHBondContact NE2-OD1 3.23Å; Q219-D225 PolarHBondContact NE2-OD2 2.97Å
220G63.4Low83.2Confident25 Ų2539 Ų3926%0.25821%0.207SC..  trans-80.3165.6167.800000112T222 G223 Y224G220-T222 PolarHBondContact O-N 3.37Å; G220-G223 PolarHBondContact O-N 3.36Å; G220-G223 VanDerWaalsContact O-N 3.11Å; G220-Y224 PolarHBondContact N-O 3.36Å
221E55.5Low83.3Confident134 Ų13439 Ų3963%0.62621%0.208SC*.THydrogen-bonded Turntrans-60.3-27.8177.1-60.6-168.614500113.3N114 G223N114-E221 WeakPolarHBondContact CB-OE1 3.4Å; N114-E221 PolarHBondContact ND2-OE1 2.88Å; N114-E221 PolarHBondContact ND2-OE2 3.24Å; N114-E221 PolarHBondContact OD1-OE1 3Å; E221-G223 PolarHBondContact O-N 3.35Å
222T53.8Low83.3Confident113 Ų11339 Ų3969%0.69321%0.208SC*.THydrogen-bonded Turntrans-78.94.3178.448.10000114G220 Y224G220-T222 PolarHBondContact O-N 3.37Å; T222-Y224 VanDerWaalsContact C-N 3.28Å; T222-Y224 PolarHBondContact O-N 3.4Å; T222-Y224 WeakPolarHBondContact OG1-CD2 3.48Å
223G50.4Low83.4Confident59 Ų5939 Ų3961%0.60821%0.208SC*.SBendtrans75.79.5177.500000115.2G220 E221G220-G223 PolarHBondContact O-N 3.36Å; G220-G223 VanDerWaalsContact O-N 3.11Å; E221-G223 PolarHBondContact O-N 3.35Å
224Y52.1Low83.4Confident155 Ų15539 Ų3961%0.60821%0.208SC*.  trans-81.3118.6170.9-67.2-93.2000110.2G220 T222G220-Y224 PolarHBondContact N-O 3.36Å; T222-Y224 VanDerWaalsContact C-N 3.28Å; T222-Y224 PolarHBondContact O-N 3.4Å; T222-Y224 WeakPolarHBondContact OG1-CD2 3.48Å
225D73.4Confident83.5Confident49 Ų4939 Ų3926%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-88.6108.2172.4-78.6-6.8000109.7Q219Q219-D225 WeakPolarHBondContact CG-OD1 3.25Å; Q219-D225 PolarHBondContact NE2-OD1 3.23Å; Q219-D225 PolarHBondContact NE2-OD2 2.97Å
226W86.3Confident83.6Confident93 Ų9339 Ų3935%0.35221%0.207SC..EExtended strand (participates in β ladder)trans-80.7142.1168-65.576.2000109.5R217 V218 Y228 H778R217-W226 CarbonylContact C-O 3.55Å; R217-W226 WeakPolarHBondContact CA-O 3.28Å; V218-W226 HydrophobicContact CB-CB 4.47Å; V218-W226 PolarHBondContact N-O 3.2Å; V218-W226 PolarHBondContact O-N 3.49Å; W226-Y228 HydrophobicContact CB-CE2 3.7Å; W226-H778 AromaticContact CD1-CE1 3.78Å; W226-H778 AromaticContact CD2-CE1 3.94Å; W226-H778 AromaticContact CG-CE1 3.54Å
227T90.3Very high83.7Confident40 Ų4039 Ų3925%0.24521%0.207CC..EExtended strand (participates in β ladder)trans-127.9122.4179.4-60.30000110.1R215 R217R215-T227 HydrophobicContact CG-CG2 3.98Å; R217-T227 HydrophobicContact CG-CG2 4.38Å
228Y94.1Very high84Confident39 Ų3938.2 Ų38.215%0.15320%0.204CC..EExtended strand (participates in β ladder)trans-116.6124.4176.3-58-88.8000109R215 M216 V218 W226 I773 H778R215-Y228 CarbonylContact C-O 3.57Å; R215-Y228 WeakPolarHBondContact CA-O 3.34Å; M216-Y228 HydrophobicContact CE-CD2 3.83Å; M216-Y228 HydrophobicContact CE-CE2 4.45Å; M216-Y228 HydrophobicContact CE-CG 4.25Å; M216-Y228 PolarHBondContact N-O 2.99Å; M216-Y228 PolarHBondContact O-N 3.05Å; V218-Y228 HydrophobicContact CG2-CE2 4.31Å; W226-Y228 HydrophobicContact CB-CE2 3.7Å; Y228-I773 HydrophobicContact CD1-CD1 4.08Å; Y228-I773 HydrophobicContact CD1-CG2 3.96Å; Y228-I773 HydrophobicContact CD2-CG2 4.16Å; Y228-I773 HydrophobicContact CE1-CG2 3.62Å; Y228-I773 HydrophobicContact CE2-CG2 3.87Å; Y228-I773 HydrophobicContact CG-CD1 4.42Å; Y228-I773 HydrophobicContact CG-CG2 4.21Å; Y228-H778 AromaticContact CE2-CE1 3.93Å; Y228-H778 AromaticContact CE2-NE2 3.16Å; Y228-H778 WeakPolarHBondContact CE2-NE2 3.09Å; Y228-H778 AromaticContact CZ-NE2 3.39Å; Y228-H778 PolarHBondContact OH-CE1 2.97Å; Y228-H778 VanDerWaalsContact OH-CE1 3.28Å; Y228-H778 PolarHBondContact OH-NE2 3.38Å
229D95.9Very high84.1Confident34 Ų3439 Ų3918%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-117.3135.5-179.9-69.4-28.4000111.1Q214 R215 N555Q214-D229 WeakPolarHBondContact O-CA 3.25Å; R215-D229 VanDerWaalsContact CB-OD1 3.26Å; R215-D229 WeakPolarHBondContact CB-OD1 3.41Å; R215-D229 VanDerWaalsContact CG-OD1 3.27Å; R215-D229 WeakPolarHBondContact CG-OD1 3.38Å; R215-D229 IonicContact CZ-OD1 2.7Å; R215-D229 IonicContact CZ-OD2 3.16Å; R215-D229 IonicContact NE-OD1 2.76Å; R215-D229 PolarHBondContact NE-OD1 2.81Å; R215-D229 IonicContact NE-OD2 3.75Å; R215-D229 PolarHBondContact NE-OD2 3.1Å; R215-D229 IonicContact NH2-OD1 2.75Å; R215-D229 IonicContact NH2-OD2 3.19Å; R215-D229 PolarHBondContact NH2-OD2 2.93Å; D229-N555 PolarHBondContact OD2-ND2 3.13Å
230V97.9Very high84.7Confident11 Ų1140.5 Ų40.57%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-132.5131.5170.6-179.20000108.1Q214 R751 T753 L766Q214-V230 WeakPolarHBondContact CA-O 3.26Å; Q214-V230 HydrophobicContact CB-CB 4.48Å; Q214-V230 WeakPolarHBondContact CB-O 3.25Å; Q214-V230 PolarHBondContact N-O 3.45Å; Q214-V230 PolarHBondContact O-N 3.44Å; V230-R751 HydrophobicContact CB-CB 4.49Å; V230-R751 HydrophobicContact CG1-CB 4.34Å; V230-R751 HydrophobicContact CG2-CB 4.05Å; V230-T753 WeakPolarHBondContact CG1-OG1 3.37Å; V230-L766 HydrophobicContact CB-CD1 3.67Å; V230-L766 HydrophobicContact CG1-CD1 3.82Å; V230-L766 HydrophobicContact CG2-CD1 4.01Å
231V98.5Very high86Confident2 Ų242.2 Ų42.21%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-94.2123173.5178.10000108.8L211 A544 L551 R751 F752 T753L211-V231 HydrophobicContact CD1-CG1 3.46Å; L211-V231 VanDerWaalsContact CD1-CG1 3.46Å; V231-A544 HydrophobicContact CG1-CB 4.35Å; V231-L551 HydrophobicContact CG2-CD1 4.09Å; V231-R751 PolarHBondContact N-O 3.38Å; V231-F752 HydrophobicContact CB-CD1 3.53Å; V231-F752 HydrophobicContact CB-CE1 3.58Å; V231-F752 HydrophobicContact CB-CG 4.48Å; V231-F752 HydrophobicContact CG1-CD1 3.78Å; V231-F752 HydrophobicContact CG1-CE1 3.77Å; V231-F752 HydrophobicContact CG2-CD1 4.41Å; V231-F752 HydrophobicContact CG2-CE1 4Å; V231-F752 CarbonylContact O-C 3.51Å; V231-F752 VanDerWaalsContact O-CA 3.23Å; V231-F752 WeakPolarHBondContact O-CA 3.24Å; V231-T753 PolarHBondContact O-N 3.02Å
232T98.4Very high87.6Confident0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-100.5130.4177.356.60000110.2L211 H212 Q214 T753 T762L211-T232 WeakPolarHBondContact CA-O 3.42Å; H212-T232 PolarHBondContact N-O 3.09Å; H212-T232 PolarHBondContact O-N 2.98Å; H212-T232 PolarHBondContact O-OG1 2.84Å; Q214-T232 HydrophobicContact CG-CG2 3.53Å; Q214-T232 PolarHBondContact NE2-OG1 3.39Å; T232-T753 WeakPolarHBondContact CA-O 3.43Å; T232-T762 HydrophobicContact CG2-CG2 3.48Å; T232-T762 VanDerWaalsContact CG2-CG2 3.48Å
233I98.3Very high89.3Confident0 Ų032.3 Ų32.30%017%0.168CC..EExtended strand (participates in β ladder)trans-143.1144.2179.8-170177000110.2P208 L211 P236 Q540 A544 T753 S754 A758P208-I233 HydrophobicContact CB-CD1 3.45Å; P208-I233 VanDerWaalsContact CB-CD1 3.45Å; P208-I233 HydrophobicContact CB-CG1 4Å; L211-I233 HydrophobicContact CD1-CB 3.95Å; L211-I233 HydrophobicContact CD1-CD1 4.35Å; L211-I233 HydrophobicContact CD1-CG1 4.19Å; I233-P236 HydrophobicContact CD1-CG 4.37Å; I233-Q540 WeakPolarHBondContact CD1-O 3.29Å; I233-A544 HydrophobicContact CB-CB 4.5Å; I233-A544 HydrophobicContact CD1-CB 3.74Å; I233-T753 PolarHBondContact N-O 3.4Å; I233-S754 WeakPolarHBondContact O-CA 3.2Å; I233-S754 WeakPolarHBondContact O-CB 3.4Å; I233-S754 PolarHBondContact O-OG 3.04Å; I233-A758 WeakPolarHBondContact O-CB 3.44Å
234G97.8Very high90.9Very high0 Ų039.7 Ų39.70%018%0.184CC..EExtended strand (participates in β ladder)trans-64.8161.8170.400000110.3T209 P236 C755T209-G234 PolarHBondContact O-N 3.47Å; G234-P236 WeakPolarHBondContact O-CD 3.47Å; G234-C755 CarbonylContact C-O 3.46Å; G234-C755 WeakPolarHBondContact CA-O 3.44Å
235A97.3Very high91.9Very high0 Ų035.5 Ų35.50%019%0.188CC..  trans-53.2118178.500000110.2A237 L579 M588 S754 C755A235-A237 PolarHBondContact O-N 3.16Å; A235-L579 HydrophobicContact CB-CD1 3.82Å; A235-L579 HydrophobicContact CB-CD2 4Å; A235-L579 HydrophobicContact CB-CG 4.36Å; A235-M588 HydrophobicContact CB-CB 4.19Å; A235-M588 HydrophobicContact CB-SD 4.48Å; A235-S754 PolarHBondContact N-OG 2.7Å; A235-C755 PolarHBondContact N-O 3.03Å
236P97.9Very high92.6Very high0 Ų034 Ų340%018%0.181CC..  trans-63.4108.6175.8-24.236.4000109.6I233 G234 V537 Q540 T541 M592I233-P236 HydrophobicContact CD1-CG 4.37Å; G234-P236 WeakPolarHBondContact O-CD 3.47Å; P236-V537 HydrophobicContact CB-CG1 4.12Å; P236-Q540 HydrophobicContact CB-CB 4.15Å; P236-T541 HydrophobicContact CB-CG2 3.53Å; P236-T541 HydrophobicContact CG-CG2 3.5Å; P236-T541 VanDerWaalsContact CG-CG2 3.5Å; P236-M592 HydrophobicContact CG-CG 4.34Å; P236-M592 PolarHBondContact O-N 3.46Å
237A96.9Very high92.9Very high0 Ų029.5 Ų29.50%016%0.164CC..  trans-159.3150.2-169.400000111.3A235 H239 F243 Q540 M588 D591A235-A237 PolarHBondContact O-N 3.16Å; A237-H239 VanDerWaalsContact C-N 3.28Å; A237-H239 PolarHBondContact O-N 3.38Å; A237-F243 HydrophobicContact CB-CE1 4.08Å; A237-F243 HydrophobicContact CB-CZ 3.94Å; A237-Q540 PolarHBondContact O-NE2 2.86Å; A237-M588 HydrophobicContact CB-CB 4.25Å; A237-M588 HydrophobicContact CB-CG 4.01Å; A237-D591 WeakPolarHBondContact CA-OD2 3.33Å; A237-D591 HydrophobicContact CB-CB 4.25Å
238A94.8Very high93Very high0 Ų027.6 Ų27.60%015%0.152CC..  trans-84.470.2173.800000110.8H240 Q241 G242 R533 V536 D591A238-H240 VanDerWaalsContact C-N 3.26Å; A238-H240 PolarHBondContact O-N 2.87Å; A238-Q241 HydrophobicContact CB-CB 4.23Å; A238-Q241 HydrophobicContact CB-CG 4.34Å; A238-Q241 PolarHBondContact O-N 2.89Å; A238-G242 PolarHBondContact O-N 2.86Å; A238-R533 HydrophobicContact CB-CG 3.63Å; A238-V536 HydrophobicContact CB-CG1 4.25Å; A238-D591 PolarHBondContact N-OD2 2.96Å
239H93Very high93.1Very high17 Ų1729.2 Ų29.28%0.07916%0.158CC..THydrogen-bonded Turntrans-58.8-36.2-176.3-67.3-70.1000113.4K199 A237 G242 F243K199-H239 VanDerWaalsContact O-CB 3.25Å; K199-H239 WeakPolarHBondContact O-CB 3.43Å; A237-H239 VanDerWaalsContact C-N 3.28Å; A237-H239 PolarHBondContact O-N 3.38Å; H239-G242 PolarHBondContact O-N 3.3Å; H239-F243 AromaticContact ND1-CZ 3.91Å
240H92.3Very high92.9Very high80 Ų8031.9 Ų31.937%0.3717%0.168SC..THydrogen-bonded Turntrans-64.7-40.5-179.3177.765000112A200 R202 E205 A238 G242A200-H240 PolarHBondContact O-ND1 2.92Å; A200-H240 VanDerWaalsContact O-ND1 3.07Å; R202-H240 VanDerWaalsContact CB-CE1 3.47Å; R202-H240 WeakPolarHBondContact CB-CE1 3.24Å; R202-H240 WeakPolarHBondContact CD-NE2 3.41Å; R202-H240 WeakPolarHBondContact CG-NE2 3.46Å; E205-H240 HydrophobicContact CG-CB 4.18Å; A238-H240 VanDerWaalsContact C-N 3.26Å; A238-H240 PolarHBondContact O-N 2.87Å; H240-G242 PolarHBondContact O-N 3.2Å
241Q90.6Very high92.6Very high61 Ų6133.4 Ų33.429%0.28518%0.175SC..THydrogen-bonded Turntrans-70.2-15177.1-67.3172.649.600113.3E205 A238 Y532E205-Q241 PolarHBondContact OE1-NE2 3.07Å; A238-Q241 HydrophobicContact CB-CB 4.23Å; A238-Q241 HydrophobicContact CB-CG 4.34Å; A238-Q241 PolarHBondContact O-N 2.89Å; Q241-Y532 VanDerWaalsContact NE2-CD1 3.28Å; Q241-Y532 VanDerWaalsContact NE2-CE1 3.27Å
242G90.1Very high92.3Very high24 Ų2435.1 Ų35.125%0.24718%0.184CC..  trans66.3-173.3-172.200000112.7A238 H239 H240 R533A238-G242 PolarHBondContact O-N 2.86Å; H239-G242 PolarHBondContact O-N 3.3Å; H240-G242 PolarHBondContact O-N 3.2Å; G242-R533 PolarHBondContact O-NH1 3.47Å
243F88.4Confident91.8Very high14 Ų1440 Ų406%0.06121%0.207CC..  trans-123-20.8-170.5-59.2-79.2000114.4A237 H239 G245 C246 E584 A587 M588A237-F243 HydrophobicContact CB-CE1 4.08Å; A237-F243 HydrophobicContact CB-CZ 3.94Å; H239-F243 AromaticContact ND1-CZ 3.91Å; F243-G245 PolarHBondContact O-N 3.12Å; F243-C246 CarbonylContact O-C 3.54Å; F243-C246 PolarHBondContact O-N 3.38Å; F243-E584 HydrophobicContact CD2-CB 4.05Å; F243-E584 HydrophobicContact CD2-CG 4.39Å; F243-A587 HydrophobicContact CB-CB 3.53Å; F243-A587 HydrophobicContact CD1-CB 3.37Å; F243-A587 HydrophobicContact CE1-CB 4.36Å; F243-A587 HydrophobicContact CG-CB 3.68Å; F243-M588 HydrophobicContact CD2-CE 4.31Å; F243-M588 HydrophobicContact CE1-CG 3.73Å; F243-M588 HydrophobicContact CE2-CE 3.47Å; F243-M588 VanDerWaalsContact CE2-CE 3.47Å; F243-M588 HydrophobicContact CE2-CG 4.05Å; F243-M588 HydrophobicContact CZ-CE 3.76Å; F243-M588 HydrophobicContact CZ-CG 3.46Å; F243-M588 VanDerWaalsContact CZ-CG 3.46Å; F243-M588 HydrophobicContact CZ-SD 4.48Å
244K83.9Confident91.4Very high214 Ų21445.2 Ų45.293%0.9323%0.229SC*.THydrogen-bonded Turntrans40.131178.5-60.5-176.7-178.4177.50114.9
245G73.4Confident90.8Very high68 Ų6845.8 Ų45.870%0.70123%0.233SC*.THydrogen-bonded Turntrans86.9-2.6-177.500000117.9F243F243-G245 PolarHBondContact O-N 3.12Å
246C87.6Confident90.2Very high16 Ų1651 Ų5111%0.10826%0.257CS..  trans-150.4147.917561.60000113.4F243 K250F243-C246 CarbonylContact O-C 3.54Å; F243-C246 PolarHBondContact O-N 3.38Å; C246-K250 HydrophobicContact CB-CB 3.98Å; C246-K250 HydrophobicContact CB-CD 4.03Å
247G92.8Very high89.6Confident0 Ų054.8 Ų54.80%028%0.275CS..  trans-103.8-169.8174.200000113.1R249 K250 L251 E590G247-R249 VanDerWaalsContact C-N 3.35Å; G247-R249 PolarHBondContact O-N 3.39Å; G247-K250 PolarHBondContact O-N 2.88Å; G247-L251 WeakPolarHBondContact O-CG 3.23Å; G247-L251 PolarHBondContact O-N 3.49Å; G247-E590 WeakPolarHBondContact CA-OE2 3.17Å; G247-E590 PolarHBondContact N-OE2 3.28Å
248L94.1Very high88.9Confident0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-59.2-40.2-168.9-174.458.7000113.4K250 L251 L252 R534 D591 V594L248-K250 PolarHBondContact O-N 3.36Å; L248-L251 PolarHBondContact O-N 2.99Å; L248-L252 HydrophobicContact CD1-CD1 4.35Å; L248-L252 HydrophobicContact CD1-CG 4.17Å; L248-L252 HydrophobicContact CG-CD1 4.06Å; L248-L252 HydrophobicContact CG-CG 4.35Å; L248-L252 WeakPolarHBondContact O-CB 3.41Å; L248-L252 WeakPolarHBondContact O-CG 3.13Å; L248-L252 PolarHBondContact O-N 3.25Å; L248-R534 HydrophobicContact CD1-CB 4.25Å; L248-R534 HydrophobicContact CD2-CB 3.73Å; L248-R534 HydrophobicContact CD2-CG 3.91Å; L248-D591 WeakPolarHBondContact CB-OD1 3.48Å; L248-D591 PolarHBondContact N-OD1 3.31Å; L248-V594 HydrophobicContact CB-CG2 4.47Å; L248-V594 HydrophobicContact CD2-CB 3.9Å; L248-V594 HydrophobicContact CD2-CG1 3.67Å; L248-V594 HydrophobicContact CD2-CG2 4.47Å; L248-V594 HydrophobicContact CG-CB 4.26Å; L248-V594 HydrophobicContact CG-CG1 4.16Å; L248-V594 HydrophobicContact CG-CG2 4.28Å
249R94.5Very high88.2Confident72 Ų7260.3 Ų60.327%0.27230%0.302SS..Hα-helixtrans-57.5-47179.3-170.5170.2177.4141.7-0.8112.2G247 H253 E590 S593 V594 E685G247-R249 VanDerWaalsContact C-N 3.35Å; G247-R249 PolarHBondContact O-N 3.39Å; R249-H253 PolarHBondContact O-N 2.86Å; R249-E590 HydrophobicContact CB-CB 3.85Å; R249-E590 HydrophobicContact CB-CG 4.14Å; R249-S593 PolarHBondContact NH1-OG 3.41Å; R249-V594 HydrophobicContact CB-CG2 3.86Å; R249-V594 HydrophobicContact CG-CG2 4.4Å; R249-E685 IonicContact CZ-OE1 3.26Å; R249-E685 IonicContact NH1-OE1 3.73Å; R249-E685 IonicContact NH2-OE1 2.73Å; R249-E685 PolarHBondContact NH2-OE1 3.43Å
250K92.6Very high87.4Confident91 Ų9165.6 Ų65.640%0.39633%0.325SS..Hα-helixtrans-72-36176.3-80.9-177.4-179.9135.80112.6C246 G247 L248 L252 H253 K254 E590C246-K250 HydrophobicContact CB-CB 3.98Å; C246-K250 HydrophobicContact CB-CD 4.03Å; G247-K250 PolarHBondContact O-N 2.88Å; L248-K250 PolarHBondContact O-N 3.36Å; K250-L252 VanDerWaalsContact C-N 3.32Å; K250-L252 PolarHBondContact O-N 3.15Å; K250-H253 PolarHBondContact O-N 3.47Å; K250-K254 WeakPolarHBondContact O-CG 3.41Å; K250-K254 PolarHBondContact O-N 3.32Å; K250-E590 WeakPolarHBondContact CB-OE2 3.29Å; K250-E590 WeakPolarHBondContact CD-OE1 3.43Å; K250-E590 WeakPolarHBondContact CE-OE1 3.48Å; K250-E590 WeakPolarHBondContact CG-OE1 3.32Å; K250-E590 WeakPolarHBondContact CG-OE2 3.41Å; K250-E590 IonicContact NZ-OE1 2.61Å; K250-E590 PolarHBondContact NZ-OE1 3.03Å
251L91.9Very high86.5Confident42 Ų4266.9 Ų66.922%0.2233%0.331CS..Hα-helixtrans-60.8-42.8175.7-69.8171.2000111.1G247 L248 H253 K254 L255 M530G247-L251 WeakPolarHBondContact O-CG 3.23Å; G247-L251 PolarHBondContact O-N 3.49Å; L248-L251 PolarHBondContact O-N 2.99Å; L251-H253 PolarHBondContact O-N 3.17Å; L251-K254 PolarHBondContact O-N 3.05Å; L251-L255 PolarHBondContact O-N 3.36Å; L251-M530 HydrophobicContact CB-CE 3.89Å; L251-M530 HydrophobicContact CB-CG 4.28Å; L251-M530 HydrophobicContact CB-SD 4.1Å; L251-M530 WeakPolarHBondContact O-CE 3.44Å
252L91.1Very high85.4Confident38 Ų3865.6 Ų65.620%0.19933%0.327CS..Hα-helixtrans-59.3-45.2175.6-72.9169.9000112L248 K250 K254 L255 E256 M530 V594L248-L252 HydrophobicContact CD1-CD1 4.35Å; L248-L252 HydrophobicContact CD1-CG 4.17Å; L248-L252 HydrophobicContact CG-CD1 4.06Å; L248-L252 HydrophobicContact CG-CG 4.35Å; L248-L252 WeakPolarHBondContact O-CB 3.41Å; L248-L252 WeakPolarHBondContact O-CG 3.13Å; L248-L252 PolarHBondContact O-N 3.25Å; K250-L252 VanDerWaalsContact C-N 3.32Å; K250-L252 PolarHBondContact O-N 3.15Å; L252-K254 PolarHBondContact O-N 3.41Å; L252-L255 PolarHBondContact O-N 3.06Å; L252-E256 WeakPolarHBondContact O-CG 3.25Å; L252-E256 PolarHBondContact O-N 3.32Å; L252-M530 VanDerWaalsContact CA-CE 3.43Å; L252-M530 HydrophobicContact CB-CE 4.32Å; L252-M530 HydrophobicContact CD2-CE 3.68Å; L252-M530 HydrophobicContact CG-CE 4.01Å; L252-M530 VanDerWaalsContact N-CE 3.33Å; L252-V594 HydrophobicContact CD1-CG1 3.93Å; L252-V594 HydrophobicContact CD1-CG2 4.07Å
253H89.4Confident84.3Confident102 Ų10266.3 Ų66.347%0.47232%0.323SS..Hα-helixtrans-59.6-45.9174.9-167.3-90.4000112.2R249 K250 L251 L255 E256 E257R249-H253 PolarHBondContact O-N 2.86Å; K250-H253 PolarHBondContact O-N 3.47Å; L251-H253 PolarHBondContact O-N 3.17Å; H253-L255 VanDerWaalsContact C-N 3.29Å; H253-L255 PolarHBondContact O-N 3.37Å; H253-E256 PolarHBondContact O-N 3.3Å; H253-E256 VanDerWaalsContact O-N 3.17Å; H253-E257 IonicContact CE1-OE1 3.67Å; H253-E257 PolarHBondContact CE1-OE1 3.38Å; H253-E257 IonicContact CE1-OE2 2.7Å; H253-E257 IonicContact ND1-OE1 3.86Å; H253-E257 PolarHBondContact ND1-OE1 3.32Å; H253-E257 IonicContact ND1-OE2 2.69Å; H253-E257 PolarHBondContact ND1-OE2 3.4Å; H253-E257 VanDerWaalsContact ND1-OE2 3.15Å; H253-E257 WeakPolarHBondContact O-CG 3.47Å; H253-E257 PolarHBondContact O-N 3.04Å
254K88.7Confident83Confident110 Ų11071.1 Ų71.148%0.47835%0.345SS..Hα-helixtrans-61.3-36.2177.2-72.3177.4178.6-179.30112.8K250 L251 L252 A258K250-K254 WeakPolarHBondContact O-CG 3.41Å; K250-K254 PolarHBondContact O-N 3.32Å; L251-K254 PolarHBondContact O-N 3.05Å; L252-K254 PolarHBondContact O-N 3.41Å; K254-A258 VanDerWaalsContact O-CB 3.3Å; K254-A258 WeakPolarHBondContact O-CB 3.36Å; K254-A258 PolarHBondContact O-N 3.09Å
255L85.8Confident81.8Confident13 Ų1367.3 Ų67.37%0.06833%0.331CS..Hα-helixtrans-68.3-41.2175.3176.567.7000111.8L251 L252 H253 A258 R259 M526 M530L251-L255 PolarHBondContact O-N 3.36Å; L252-L255 PolarHBondContact O-N 3.06Å; H253-L255 VanDerWaalsContact C-N 3.29Å; H253-L255 PolarHBondContact O-N 3.37Å; L255-A258 PolarHBondContact O-N 3.19Å; L255-R259 WeakPolarHBondContact O-CG 3.43Å; L255-R259 PolarHBondContact O-N 3.46Å; L255-M526 HydrophobicContact CB-CE 4.21Å; L255-M526 HydrophobicContact CD1-CE 3.41Å; L255-M526 VanDerWaalsContact CD1-CE 3.41Å; L255-M526 HydrophobicContact CD1-CG 4.24Å; L255-M526 HydrophobicContact CG-CE 4.41Å; L255-M530 HydrophobicContact CB-CE 3.6Å; L255-M530 HydrophobicContact CB-SD 3.8Å; L255-M530 HydrophobicContact CD2-CE 3.66Å; L255-M530 HydrophobicContact CD2-SD 4.03Å; L255-M530 HydrophobicContact CG-CE 4.26Å; L255-M530 HydrophobicContact CG-SD 4.37Å
256E84.6Confident81Confident109 Ų10969.3 Ų69.351%0.50932%0.322SS..Hα-helixtrans-63.4-41.7175-71.8173.8-173.300111.5L252 H253 R259 K260L252-E256 WeakPolarHBondContact O-CG 3.25Å; L252-E256 PolarHBondContact O-N 3.32Å; H253-E256 PolarHBondContact O-N 3.3Å; H253-E256 VanDerWaalsContact O-N 3.17Å; E256-R259 PolarHBondContact O-N 2.92Å; E256-K260 WeakPolarHBondContact O-CG 3.13Å; E256-K260 PolarHBondContact O-N 2.86Å
257E85.4Confident79.4Confident80 Ų8073 Ų7337%0.37435%0.348SS..Hα-helixtrans-63.9-46173.9-71.5173.6141.500112.1H253 R259 K260 H261H253-E257 IonicContact CE1-OE1 3.67Å; H253-E257 PolarHBondContact CE1-OE1 3.38Å; H253-E257 IonicContact CE1-OE2 2.7Å; H253-E257 IonicContact ND1-OE1 3.86Å; H253-E257 PolarHBondContact ND1-OE1 3.32Å; H253-E257 IonicContact ND1-OE2 2.69Å; H253-E257 PolarHBondContact ND1-OE2 3.4Å; H253-E257 VanDerWaalsContact ND1-OE2 3.15Å; H253-E257 WeakPolarHBondContact O-CG 3.47Å; H253-E257 PolarHBondContact O-N 3.04Å; E257-R259 VanDerWaalsContact C-N 3.29Å; E257-R259 PolarHBondContact O-N 2.96Å; E257-K260 WeakPolarHBondContact O-CB 3.47Å; E257-K260 PolarHBondContact O-N 3.24Å; E257-K260 VanDerWaalsContact O-N 3.13Å; E257-H261 PolarHBondContact O-CD2 3.22Å; E257-H261 PolarHBondContact O-N 3.37Å
258A82.6Confident77.2Confident31 Ų3177.5 Ų77.526%0.25638%0.379SS..Hα-helixtrans-59.6-40.8177.300000111.8K254 L255 H261 T262 M526K254-A258 VanDerWaalsContact O-CB 3.3Å; K254-A258 WeakPolarHBondContact O-CB 3.36Å; K254-A258 PolarHBondContact O-N 3.09Å; L255-A258 PolarHBondContact O-N 3.19Å; A258-H261 PolarHBondContact O-N 3.13Å; A258-T262 PolarHBondContact O-N 3.4Å; A258-T262 VanDerWaalsContact O-N 3.14Å; A258-T262 PolarHBondContact O-OG1 2.87Å; A258-M526 HydrophobicContact CB-CE 3.7Å
259R78.4Confident74.7Confident85 Ų8581.1 Ų81.132%0.32141%0.405SS..Hα-helixtrans-62.5-45174.1-75-177.7-176.7166.73.7111.7L255 E256 E257 H261 T262 Y263 T523 S527L255-R259 WeakPolarHBondContact O-CG 3.43Å; L255-R259 PolarHBondContact O-N 3.46Å; E256-R259 PolarHBondContact O-N 2.92Å; E257-R259 VanDerWaalsContact C-N 3.29Å; E257-R259 PolarHBondContact O-N 2.96Å; R259-H261 PolarHBondContact O-N 2.91Å; R259-T262 PolarHBondContact O-N 2.93Å; R259-Y263 HydrophobicContact CB-CE2 4.21Å; R259-Y263 WeakPolarHBondContact O-CD2 3.33Å; R259-Y263 WeakPolarHBondContact O-CE2 3.49Å; R259-Y263 PolarHBondContact O-N 3Å; R259-T523 HydrophobicContact CG-CG2 4.07Å; R259-S527 PolarHBondContact NH2-OG 3.37Å
260K77Confident72.2Confident127 Ų12781.7 Ų81.755%0.55243%0.433SS*.Hα-helixtrans-57.5-46.3176.5-73.2174.3-176.61770112.3E256 E257 T262 Y263 E264E256-K260 WeakPolarHBondContact O-CG 3.13Å; E256-K260 PolarHBondContact O-N 2.86Å; E257-K260 WeakPolarHBondContact O-CB 3.47Å; E257-K260 PolarHBondContact O-N 3.24Å; E257-K260 VanDerWaalsContact O-N 3.13Å; K260-T262 VanDerWaalsContact C-N 3.32Å; K260-T262 PolarHBondContact O-N 2.75Å; K260-Y263 PolarHBondContact O-N 3.19Å; K260-E264 PolarHBondContact O-N 3.38Å
261H72.9Confident69.4Low108 Ų10887 Ų8750%0.546%0.456SS..Hα-helixtrans-62.6-36.8178.2-73.5-54.3000113E257 A258 R259 Y263 E264 E265E257-H261 PolarHBondContact O-CD2 3.22Å; E257-H261 PolarHBondContact O-N 3.37Å; A258-H261 PolarHBondContact O-N 3.13Å; R259-H261 PolarHBondContact O-N 2.91Å; H261-Y263 VanDerWaalsContact C-N 3.34Å; H261-Y263 PolarHBondContact O-N 2.83Å; H261-E264 IonicContact ND1-OE2 2.89Å; H261-E264 PolarHBondContact O-N 3.26Å; H261-E265 WeakPolarHBondContact O-CB 3.17Å; H261-E265 WeakPolarHBondContact O-CG 3.36Å; H261-E265 PolarHBondContact O-N 2.82Å
262T68.6Low66.6Low33 Ų3388.5 Ų88.520%0.20248%0.481CS..Hα-helixtrans-61.4-42.6174.4-50.30000111.8A258 R259 K260 E264 E266 P522A258-T262 PolarHBondContact O-N 3.4Å; A258-T262 VanDerWaalsContact O-N 3.14Å; A258-T262 PolarHBondContact O-OG1 2.87Å; R259-T262 PolarHBondContact O-N 2.93Å; K260-T262 VanDerWaalsContact C-N 3.32Å; K260-T262 PolarHBondContact O-N 2.75Å; T262-E264 PolarHBondContact O-N 3.47Å; T262-E266 WeakPolarHBondContact O-CB 3.26Å; T262-E266 WeakPolarHBondContact O-CG 2.97Å; T262-E266 PolarHBondContact O-N 2.83Å; T262-P522 HydrophobicContact CG2-CB 4.14Å; T262-P522 HydrophobicContact CG2-CG 3.96Å
263Y66Low64Low39 Ų3992.2 Ų92.215%0.15351%0.511CS..Hα-helixtrans-66.6-36.2176.8-61.1-68.3000112.6R259 K260 H261 S267 Y278 P280 D519R259-Y263 HydrophobicContact CB-CE2 4.21Å; R259-Y263 WeakPolarHBondContact O-CD2 3.33Å; R259-Y263 WeakPolarHBondContact O-CE2 3.49Å; R259-Y263 PolarHBondContact O-N 3Å; K260-Y263 PolarHBondContact O-N 3.19Å; H261-Y263 VanDerWaalsContact C-N 3.34Å; H261-Y263 PolarHBondContact O-N 2.83Å; Y263-S267 VanDerWaalsContact O-CB 3.3Å; Y263-S267 WeakPolarHBondContact O-CB 3.3Å; Y263-S267 PolarHBondContact O-N 2.94Å; Y263-S267 VanDerWaalsContact O-N 3.08Å; Y263-S267 PolarHBondContact O-OG 3.24Å; Y263-Y278 VanDerWaalsContact CE1-O 3.31Å; Y263-Y278 WeakPolarHBondContact CE1-O 3.35Å; Y263-P280 HydrophobicContact CD2-CG 4.09Å; Y263-P280 HydrophobicContact CE2-CG 3.62Å; Y263-D519 PolarHBondContact OH-OD1 3.04Å
264E60.9Low61.6Low115 Ų11597.4 Ų97.454%0.53753%0.532SS..Hα-helixtrans-70.2-42.7177.7-72.3176.3178.700112.2K260 H261 T262 S267 S268K260-E264 PolarHBondContact O-N 3.38Å; H261-E264 IonicContact ND1-OE2 2.89Å; H261-E264 PolarHBondContact O-N 3.26Å; T262-E264 PolarHBondContact O-N 3.47Å; E264-S267 WeakPolarHBondContact CA-OG 3.49Å; E264-S267 PolarHBondContact O-N 3.29Å; E264-S267 PolarHBondContact O-OG 3.44Å; E264-S268 PolarHBondContact O-N 2.93Å; E264-S268 PolarHBondContact O-OG 3.21Å
265E59.8Low59.4Low135 Ų13593.8 Ų93.863%0.63153%0.525SS*.Hα-helixtrans-64.9-44.7176-75.8-176170.100111.6H261 S267 S268 S269H261-E265 WeakPolarHBondContact O-CB 3.17Å; H261-E265 WeakPolarHBondContact O-CG 3.36Å; H261-E265 PolarHBondContact O-N 2.82Å; E265-S267 VanDerWaalsContact C-N 3.27Å; E265-S267 PolarHBondContact O-N 3.3Å; E265-S268 WeakPolarHBondContact CA-OG 3.2Å; E265-S268 PolarHBondContact O-N 3.26Å; E265-S268 VanDerWaalsContact O-N 3.12Å; E265-S268 PolarHBondContact O-OG 3.33Å; E265-S268 VanDerWaalsContact O-OG 3.05Å; E265-S269 PolarHBondContact O-N 3.47Å; E265-S269 PolarHBondContact O-OG 2.83Å; E265-S269 VanDerWaalsContact O-OG 3.13Å
266E56.3Low57.8Low110 Ų11096.9 Ų96.951%0.51454%0.541SS..Hα-helixtrans-65.1-30.7176.8-74.1-175.5174.100112.8T262 S268T262-E266 WeakPolarHBondContact O-CB 3.26Å; T262-E266 WeakPolarHBondContact O-CG 2.97Å; T262-E266 PolarHBondContact O-N 2.83Å; E266-S268 VanDerWaalsContact C-N 3.32Å
267S53.2Low56.6Low92 Ų9295.3 Ų95.364%0.64354%0.538SS*.Hα-helixtrans-75.3-18.6175.470.20000114.1Y263 E264 E265Y263-S267 VanDerWaalsContact O-CB 3.3Å; Y263-S267 WeakPolarHBondContact O-CB 3.3Å; Y263-S267 PolarHBondContact O-N 2.94Å; Y263-S267 VanDerWaalsContact O-N 3.08Å; Y263-S267 PolarHBondContact O-OG 3.24Å; E264-S267 WeakPolarHBondContact CA-OG 3.49Å; E264-S267 PolarHBondContact O-N 3.29Å; E264-S267 PolarHBondContact O-OG 3.44Å; E265-S267 VanDerWaalsContact C-N 3.27Å; E265-S267 PolarHBondContact O-N 3.3Å
268S46.4Very low55.8Low95 Ų9592.4 Ų92.466%0.66452%0.524SS*.Hα-helixtrans-106.5-25.1-176.355.40000113.8E264 E265 E266 G270E264-S268 PolarHBondContact O-N 2.93Å; E264-S268 PolarHBondContact O-OG 3.21Å; E265-S268 WeakPolarHBondContact CA-OG 3.2Å; E265-S268 PolarHBondContact O-N 3.26Å; E265-S268 VanDerWaalsContact O-N 3.12Å; E265-S268 PolarHBondContact O-OG 3.33Å; E265-S268 VanDerWaalsContact O-OG 3.05Å; E266-S268 VanDerWaalsContact C-N 3.32Å; S268-G270 PolarHBondContact O-N 3.33Å
269S42.9Very low55.4Low77 Ų7795.8 Ų95.854%0.53854%0.535SS..  trans-87.387173.966.30000111.7E265 F271E265-S269 PolarHBondContact O-N 3.47Å; E265-S269 PolarHBondContact O-OG 2.83Å; E265-S269 VanDerWaalsContact O-OG 3.13Å; S269-F271 PolarHBondContact O-N 3.29Å
270G41.7Very low55Low83 Ų8394.8 Ų94.886%0.85654%0.539SS*.  trans-67.734.4177.500000116.5S268S268-G270 PolarHBondContact O-N 3.33Å
271F33.8Very low55.1Low204 Ų20496.5 Ų96.590%0.89555%0.549SS*.  trans-136.1105.8-175.5-140.1-95.6000112.9S269S269-F271 PolarHBondContact O-N 3.29Å
272G34Very low55.7Low72 Ų7293.4 Ų93.474%0.74254%0.536SS*.SBendtrans117.988.9154.600000117.3
273S35.9Very low56.3Low117 Ų11792.4 Ų92.482%0.81853%0.53SS*.  trans81.6107.7174.6-145.80000115G275S273-G275 PolarHBondContact O-N 3.31Å
274K39.8Very low57.2Low211 Ų21194.5 Ų94.592%0.91755%0.547SS*.  trans-62.981.4171.8-71.6179.3174.8-178.30109.9
275G41.6Very low58.4Low33 Ų3393.6 Ų93.634%0.3454%0.541SS..  trans-91.2134.4160.500000108.6S273 T277S273-G275 PolarHBondContact O-N 3.31Å; G275-T277 PolarHBondContact O-N 3.33Å
276M52.9Low59.8Low79 Ų7987.1 Ų87.139%0.38951%0.511SS..  trans-54.1123.6171.2-82.894.491.800110Y278 S344 V347 A348M276-Y278 HydrophobicContact CB-CE2 4.33Å; M276-Y278 WeakPolarHBondContact O-CD2 3.45Å; M276-Y278 WeakPolarHBondContact O-CE2 3.47Å; M276-Y278 PolarHBondContact O-N 2.82Å; M276-S344 WeakPolarHBondContact CE-O 3.28Å; M276-S344 WeakPolarHBondContact CE-OG 3.38Å; M276-V347 HydrophobicContact CE-CB 4.48Å; M276-A348 HydrophobicContact CE-CB 4.03Å
277T57.9Low61.3Low75 Ų7588 Ų8846%0.4651%0.513SS..  trans-78.2108.5175.5-470000109G275G275-T277 PolarHBondContact O-N 3.33Å
278Y68.3Low63Low19 Ų1988.6 Ų88.68%0.07551%0.506CS..  trans-83.9139176.9-62.4-75.3000110.6Y263 M276 D282 L341 L515Y263-Y278 VanDerWaalsContact CE1-O 3.31Å; Y263-Y278 WeakPolarHBondContact CE1-O 3.35Å; M276-Y278 HydrophobicContact CB-CE2 4.33Å; M276-Y278 WeakPolarHBondContact O-CD2 3.45Å; M276-Y278 WeakPolarHBondContact O-CE2 3.47Å; M276-Y278 PolarHBondContact O-N 2.82Å; Y278-D282 HydrophobicContact CD1-CB 4.34Å; Y278-L341 HydrophobicContact CD1-CD1 3.9Å; Y278-L341 HydrophobicContact CE1-CD1 3.96Å; Y278-L515 HydrophobicContact CD1-CD1 3.45Å; Y278-L515 VanDerWaalsContact CD1-CD1 3.45Å; Y278-L515 HydrophobicContact CD1-CG 3.89Å; Y278-L515 HydrophobicContact CD2-CD1 4.28Å; Y278-L515 HydrophobicContact CD2-CG 3.81Å; Y278-L515 HydrophobicContact CE1-CD1 3.29Å; Y278-L515 HydrophobicContact CE1-CG 3.9Å; Y278-L515 HydrophobicContact CE2-CB 4.47Å; Y278-L515 HydrophobicContact CE2-CD1 4.16Å; Y278-L515 HydrophobicContact CE2-CG 3.83Å; Y278-L515 HydrophobicContact CG-CD1 3.94Å; Y278-L515 HydrophobicContact CG-CD2 4.29Å; Y278-L515 HydrophobicContact CG-CG 3.84Å
279Q74.4Confident65.1Low103 Ų10384.7 Ų84.748%0.48148%0.477SS..  trans-85.7159177.3-64.3-62.2-44.600111Q281 D282 V283Q279-Q281 PolarHBondContact O-N 3Å; Q279-D282 PolarHBondContact N-OD2 3.42Å; Q279-D282 WeakPolarHBondContact O-CA 3.4Å; Q279-D282 VanDerWaalsContact O-CB 3.25Å; Q279-D282 WeakPolarHBondContact O-CB 3.45Å; Q279-D282 PolarHBondContact O-N 2.99Å; Q279-V283 PolarHBondContact O-N 2.93Å
280P71.6Confident67.4Low64 Ų6482.1 Ų82.142%0.41646%0.457SS..Hα-helixtrans-53-31.3174.6-27.833.4000114.3Y263 D282 V283 V284Y263-P280 HydrophobicContact CD2-CG 4.09Å; Y263-P280 HydrophobicContact CE2-CG 3.62Å; P280-D282 VanDerWaalsContact C-N 3.32Å; P280-V283 PolarHBondContact O-N 3.2Å; P280-V284 PolarHBondContact O-N 3.13Å
281Q78.6Confident69.6Low163 Ų16380.7 Ų80.776%0.76244%0.437SS*.Hα-helixtrans-67-33.1175.4-67.1-1790.700112.4Q279 V283 V284 K285Q279-Q281 PolarHBondContact O-N 3Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 3.15Å; Q281-V284 PolarHBondContact O-N 3.45Å; Q281-K285 VanDerWaalsContact O-CB 3.31Å; Q281-K285 WeakPolarHBondContact O-CB 3.34Å; Q281-K285 PolarHBondContact O-N 3.23Å
282D84.1Confident72.3Confident42 Ų4275.2 Ų75.223%0.22541%0.414CS..Hα-helixtrans-67.3-33.7177.2-63.5-37.7000111.3Y278 Q279 P280 K285 A286 L341Y278-D282 HydrophobicContact CD1-CB 4.34Å; Q279-D282 PolarHBondContact N-OD2 3.42Å; Q279-D282 WeakPolarHBondContact O-CA 3.4Å; Q279-D282 VanDerWaalsContact O-CB 3.25Å; Q279-D282 WeakPolarHBondContact O-CB 3.45Å; Q279-D282 PolarHBondContact O-N 2.99Å; P280-D282 VanDerWaalsContact C-N 3.32Å; D282-K285 PolarHBondContact O-N 3.47Å; D282-A286 WeakPolarHBondContact O-CB 3.14Å; D282-A286 PolarHBondContact O-N 2.67Å; D282-L341 HydrophobicContact CB-CD1 3.75Å; D282-L341 HydrophobicContact CB-CD2 4.13Å; D282-L341 WeakPolarHBondContact O-CD2 3.42Å
283V82.4Confident75.2Confident13 Ų1371.8 Ų71.88%0.07938%0.379CS..Hα-helixtrans-65.9-44.7176.3-179.60000111.3Q279 P280 Q281 K287 L516 D519Q279-V283 PolarHBondContact O-N 2.93Å; P280-V283 PolarHBondContact O-N 3.2Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 3.15Å; V283-K287 WeakPolarHBondContact O-CG 3.46Å; V283-K287 PolarHBondContact O-N 3.05Å; V283-L516 HydrophobicContact CG1-CD2 3.74Å; V283-D519 HydrophobicContact CG2-CB 4.03Å; V283-D519 WeakPolarHBondContact CG2-OD1 3.27Å; V283-D519 WeakPolarHBondContact CG2-OD2 3.41Å
284V84.1Confident77.8Confident82 Ų8268.9 Ų68.950%0.49735%0.354SS..Hα-helixtrans-64.1-49.2176.3178.20000109.7P280 Q281 A286 K287 E288P280-V284 PolarHBondContact O-N 3.13Å; Q281-V284 PolarHBondContact O-N 3.45Å; V284-A286 VanDerWaalsContact C-N 3.32Å; V284-A286 PolarHBondContact O-N 3.14Å; V284-K287 PolarHBondContact O-N 3.17Å; V284-E288 WeakPolarHBondContact O-CG 3.19Å; V284-E288 PolarHBondContact O-N 3.33Å
285K87.2Confident80.2Confident96 Ų9662.4 Ų62.442%0.41733%0.332SS..Hα-helixtrans-60.9-38.8178.4-170.3173.5-177.9178.60112.4Q281 D282 E288 L289 L341Q281-K285 VanDerWaalsContact O-CB 3.31Å; Q281-K285 WeakPolarHBondContact O-CB 3.34Å; Q281-K285 PolarHBondContact O-N 3.23Å; D282-K285 PolarHBondContact O-N 3.47Å; K285-E288 PolarHBondContact O-N 3.13Å; K285-L289 HydrophobicContact CG-CD1 4.23Å; K285-L289 HydrophobicContact CG-CG 4.41Å; K285-L289 WeakPolarHBondContact O-CB 3.38Å; K285-L289 VanDerWaalsContact O-CG 3.25Å; K285-L289 WeakPolarHBondContact O-CG 3.39Å; K285-L289 PolarHBondContact O-N 3.16Å; K285-L341 HydrophobicContact CB-CD2 4Å; K285-L341 HydrophobicContact CD-CD2 4.12Å; K285-L341 HydrophobicContact CG-CD2 4.04Å
286A88.8Confident82.7Confident0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-62.2-43.9176.200000111.9D282 V284 L289 I290 L341 L512 L515 L516D282-A286 WeakPolarHBondContact O-CB 3.14Å; D282-A286 PolarHBondContact O-N 2.67Å; V284-A286 VanDerWaalsContact C-N 3.32Å; V284-A286 PolarHBondContact O-N 3.14Å; A286-L289 PolarHBondContact O-N 3.07Å; A286-I290 WeakPolarHBondContact O-CG1 3.46Å; A286-I290 PolarHBondContact O-N 3.48Å; A286-L341 HydrophobicContact CB-CD2 4.39Å; A286-L512 HydrophobicContact CB-CD2 4.03Å; A286-L515 HydrophobicContact CB-CD2 4.27Å; A286-L516 HydrophobicContact CB-CD2 4.15Å; A286-L516 HydrophobicContact CB-CG 4.42Å
287K87.4Confident84.7Confident129 Ų12960 Ų6056%0.56131%0.311SS*.Hα-helixtrans-63.4-41175.6-70.1175.8-178.5177.30112V283 V284 A291 L516V283-K287 WeakPolarHBondContact O-CG 3.46Å; V283-K287 PolarHBondContact O-N 3.05Å; V284-K287 PolarHBondContact O-N 3.17Å; K287-A291 PolarHBondContact O-N 2.83Å; K287-A291 VanDerWaalsContact O-N 3.12Å; K287-L516 HydrophobicContact CG-CD1 4.09Å; K287-L516 HydrophobicContact CG-CD2 4.13Å
288E88.8Confident86.3Confident104 Ų10461 Ų6149%0.48632%0.317SS..Hα-helixtrans-63.9-45.2175.5-71.3174.917400112V284 K285 I290 A291 Q292V284-E288 WeakPolarHBondContact O-CG 3.19Å; V284-E288 PolarHBondContact O-N 3.33Å; K285-E288 PolarHBondContact O-N 3.13Å; E288-I290 PolarHBondContact O-N 2.83Å; E288-A291 PolarHBondContact O-N 3.29Å; E288-Q292 WeakPolarHBondContact O-CG 3.08Å; E288-Q292 PolarHBondContact O-N 3.33Å
289L91.6Very high87.6Confident13 Ų1363.3 Ų63.37%0.06833%0.329CS..Hα-helixtrans-60.3-45.3176.7-73.4172.9000111.5K285 A286 A291 Q292 I293 V336 L341 L512K285-L289 HydrophobicContact CG-CD1 4.23Å; K285-L289 HydrophobicContact CG-CG 4.41Å; K285-L289 WeakPolarHBondContact O-CB 3.38Å; K285-L289 VanDerWaalsContact O-CG 3.25Å; K285-L289 WeakPolarHBondContact O-CG 3.39Å; K285-L289 PolarHBondContact O-N 3.16Å; A286-L289 PolarHBondContact O-N 3.07Å; L289-A291 VanDerWaalsContact C-N 3.31Å; L289-A291 PolarHBondContact O-N 3.15Å; L289-Q292 PolarHBondContact O-N 3.15Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 WeakPolarHBondContact O-CD1 3.49Å; L289-I293 WeakPolarHBondContact O-CG1 3.45Å; L289-I293 PolarHBondContact O-N 2.95Å; L289-V336 HydrophobicContact CD2-CG1 3.71Å; L289-L341 HydrophobicContact CD1-CD2 4.33Å; L289-L512 HydrophobicContact CB-CD1 3.77Å
290I90.4Very high88.6Confident22 Ų2258.4 Ų58.411%0.11331%0.306CS..Hα-helixtrans-57.1-46.1175.1-69.1169000110.7A286 E288 N294 L512 V513 L516A286-I290 WeakPolarHBondContact O-CG1 3.46Å; A286-I290 PolarHBondContact O-N 3.48Å; E288-I290 PolarHBondContact O-N 2.83Å; I290-N294 WeakPolarHBondContact O-CB 3.49Å; I290-N294 VanDerWaalsContact O-CG 3.3Å; I290-N294 PolarHBondContact O-N 3.43Å; I290-N294 PolarHBondContact O-ND2 3.01Å; I290-L512 HydrophobicContact CD1-CB 3.75Å; I290-L512 HydrophobicContact CG1-CB 3.75Å; I290-L512 HydrophobicContact CG1-CD1 3.68Å; I290-L512 HydrophobicContact CG1-CG 4.37Å; I290-V513 HydrophobicContact CD1-CG2 4.35Å; I290-L516 HydrophobicContact CD1-CD1 3.76Å
291A88.2Confident89.6Confident53 Ų5356.9 Ų56.944%0.43830%0.297SS..Hα-helixtrans-64.8-42.2-179.800000112.5K287 E288 L289 T295K287-A291 PolarHBondContact O-N 2.83Å; K287-A291 VanDerWaalsContact O-N 3.12Å; E288-A291 PolarHBondContact O-N 3.29Å; L289-A291 VanDerWaalsContact C-N 3.31Å; L289-A291 PolarHBondContact O-N 3.15Å; A291-T295 WeakPolarHBondContact O-CB 3.36Å; A291-T295 PolarHBondContact O-N 3.48Å; A291-T295 PolarHBondContact O-OG1 3.03Å
292Q91.4Very high90.4Very high89 Ų8954.1 Ų54.142%0.41628%0.28SS..Hα-helixtrans-65-46.8176.7-71.7176.71400111.6E288 L289 N294 T295 L296 V336E288-Q292 WeakPolarHBondContact O-CG 3.08Å; E288-Q292 PolarHBondContact O-N 3.33Å; L289-Q292 PolarHBondContact O-N 3.15Å; Q292-N294 PolarHBondContact O-N 3.05Å; Q292-T295 PolarHBondContact O-N 3.03Å; Q292-L296 WeakPolarHBondContact O-CB 3.34Å; Q292-L296 WeakPolarHBondContact O-CG 3.32Å; Q292-L296 PolarHBondContact O-N 3.36Å; Q292-V336 HydrophobicContact CB-CG1 4.06Å
293I93Very high90.9Very high1 Ų154.4 Ų54.41%0.00528%0.278CS..Hα-helixtrans-58.4-48.3177.3-70.5166.5000110.4L289 T295 L296 K297 L333 V336 A508 L512L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 WeakPolarHBondContact O-CD1 3.49Å; L289-I293 WeakPolarHBondContact O-CG1 3.45Å; L289-I293 PolarHBondContact O-N 2.95Å; I293-T295 VanDerWaalsContact C-N 3.34Å; I293-T295 PolarHBondContact O-N 3.37Å; I293-L296 PolarHBondContact O-N 3.34Å; I293-K297 WeakPolarHBondContact O-CB 3.48Å; I293-K297 PolarHBondContact O-N 3.25Å; I293-L333 HydrophobicContact CB-CD1 4.41Å; I293-L333 HydrophobicContact CG1-CD1 4.38Å; I293-L333 HydrophobicContact CG2-CD1 4.23Å; I293-V336 HydrophobicContact CG1-CG1 3.91Å; I293-A508 HydrophobicContact CD1-CB 3.9Å; I293-L512 HydrophobicContact CD1-CD1 4.32Å
294N90.9Very high91.5Very high56 Ų5654.1 Ų54.130%0.29928%0.277SS..Hα-helixtrans-62-41178.6-74.9-26.4000112.5I290 Q292 T298I290-N294 WeakPolarHBondContact O-CB 3.49Å; I290-N294 VanDerWaalsContact O-CG 3.3Å; I290-N294 PolarHBondContact O-N 3.43Å; I290-N294 PolarHBondContact O-ND2 3.01Å; Q292-N294 PolarHBondContact O-N 3.05Å; N294-T298 WeakPolarHBondContact O-CB 3.31Å; N294-T298 PolarHBondContact O-N 3.28Å; N294-T298 PolarHBondContact O-OG1 3.32Å
295T91.3Very high91.9Very high74 Ų7455.6 Ų55.645%0.45428%0.278SS..Hα-helixtrans-65-49.3178.7-58.90000110.9A291 Q292 I293 T298 Q299A291-T295 WeakPolarHBondContact O-CB 3.36Å; A291-T295 PolarHBondContact O-N 3.48Å; A291-T295 PolarHBondContact O-OG1 3.03Å; Q292-T295 PolarHBondContact O-N 3.03Å; I293-T295 VanDerWaalsContact C-N 3.34Å; I293-T295 PolarHBondContact O-N 3.37Å; T295-T298 PolarHBondContact O-N 3.15Å; T295-Q299 WeakPolarHBondContact O-CG 3.45Å; T295-Q299 PolarHBondContact O-N 3.04Å
296L93.4Very high92.2Very high17 Ų1756.2 Ų56.29%0.08928%0.278CS..Hα-helixtrans-66.9-42-179.9-73.4167.1000111.6Q292 I293 T298 Q299 V300 K329 Q332 L333 V336Q292-L296 WeakPolarHBondContact O-CB 3.34Å; Q292-L296 WeakPolarHBondContact O-CG 3.32Å; Q292-L296 PolarHBondContact O-N 3.36Å; I293-L296 PolarHBondContact O-N 3.34Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.4Å; L296-Q299 PolarHBondContact O-N 3.32Å; L296-V300 WeakPolarHBondContact O-CB 3.28Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.35Å; L296-V300 PolarHBondContact O-N 3.16Å; L296-K329 HydrophobicContact CD2-CD 4.27Å; L296-Q332 HydrophobicContact CD1-CB 4.37Å; L296-Q332 HydrophobicContact CD2-CB 4.04Å; L296-L333 HydrophobicContact CB-CB 4.04Å; L296-L333 HydrophobicContact CB-CD1 3.79Å; L296-L333 HydrophobicContact CB-CG 4.41Å; L296-L333 HydrophobicContact CD1-CB 4.35Å; L296-L333 HydrophobicContact CD1-CD1 4.44Å; L296-V336 HydrophobicContact CD1-CB 4.47Å; L296-V336 HydrophobicContact CD1-CG2 3.91Å
297K94.4Very high92.4Very high44 Ų4456.2 Ų56.219%0.19128%0.278CS..Hα-helixtrans-52.5-50.1171.7-179.6-176.1-175.8171.80110.8I293 Q299 V300 C301 V501 D506I293-K297 WeakPolarHBondContact O-CB 3.48Å; I293-K297 PolarHBondContact O-N 3.25Å; K297-Q299 PolarHBondContact O-N 3.45Å; K297-V300 PolarHBondContact O-N 3.14Å; K297-C301 PolarHBondContact O-N 3.39Å; K297-C301 PolarHBondContact O-SG 2.9Å; K297-V501 HydrophobicContact CG-CG1 4.24Å; K297-D506 IonicContact NZ-OD1 3.1Å; K297-D506 PolarHBondContact NZ-OD1 3.12Å
298T93.1Very high92.7Very high97 Ų9750.7 Ų50.760%0.59526%0.255SS*.Hα-helixtrans-63.1-42.9179.6-54.20000111.9N294 T295 L296 C301 Y302N294-T298 WeakPolarHBondContact O-CB 3.31Å; N294-T298 PolarHBondContact O-N 3.28Å; N294-T298 PolarHBondContact O-OG1 3.32Å; T295-T298 PolarHBondContact O-N 3.15Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.4Å; T298-C301 PolarHBondContact O-N 3.45Å; T298-Y302 WeakPolarHBondContact O-CB 3.35Å; T298-Y302 PolarHBondContact O-N 2.9Å
299Q94.1Very high92.8Very high67 Ų6750.7 Ų50.731%0.31325%0.251SS..Hα-helixtrans-62.8-45.1176.6-73.2178.2-0.800111.7T295 L296 K297 Y302 Y303T295-Q299 WeakPolarHBondContact O-CG 3.45Å; T295-Q299 PolarHBondContact O-N 3.04Å; L296-Q299 PolarHBondContact O-N 3.32Å; K297-Q299 PolarHBondContact O-N 3.45Å; Q299-Y302 PolarHBondContact O-N 3.18Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.34Å; Q299-Y303 PolarHBondContact O-N 3.33Å
300V95Very high92.8Very high0 Ų050.2 Ų50.20%025%0.249CC..Hα-helixtrans-59.6-51.11771710000110.1L296 K297 Y302 Y303 T304 L326 K329 V501L296-V300 WeakPolarHBondContact O-CB 3.28Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.35Å; L296-V300 PolarHBondContact O-N 3.16Å; K297-V300 PolarHBondContact O-N 3.14Å; V300-Y302 VanDerWaalsContact C-N 3.32Å; V300-Y302 PolarHBondContact O-N 3.01Å; V300-Y303 PolarHBondContact O-N 3.48Å; V300-Y303 VanDerWaalsContact O-N 3.16Å; V300-T304 WeakPolarHBondContact O-CB 3.4Å; V300-T304 PolarHBondContact O-N 3Å; V300-T304 PolarHBondContact O-OG1 3.12Å; V300-L326 HydrophobicContact CG1-CD1 3.89Å; V300-K329 HydrophobicContact CG2-CB 3.99Å; V300-V501 HydrophobicContact CB-CG1 4.49Å; V300-V501 HydrophobicContact CG1-CG1 4.16Å; V300-V501 HydrophobicContact CG1-CG2 4.02Å
301C93.4Very high92.7Very high33 Ų3349.1 Ų49.122%0.22324%0.243CC..Hα-helixtrans-56.2-44.3176.3-650000112.5K297 T298 Y303 T304 E305K297-C301 PolarHBondContact O-N 3.39Å; K297-C301 PolarHBondContact O-SG 2.9Å; T298-C301 PolarHBondContact O-N 3.45Å; C301-Y303 PolarHBondContact O-N 3.21Å; C301-T304 PolarHBondContact O-N 3.42Å; C301-E305 PolarHBondContact O-N 2.75Å
302Y94.6Very high92.7Very high104 Ų10451.9 Ų51.941%0.40825%0.245SC..Hα-helixtrans-59.9-46177.1170.6-94.4000112.5T298 Q299 V300 E305 R306T298-Y302 WeakPolarHBondContact O-CB 3.35Å; T298-Y302 PolarHBondContact O-N 2.9Å; Q299-Y302 PolarHBondContact O-N 3.18Å; V300-Y302 VanDerWaalsContact C-N 3.32Å; V300-Y302 PolarHBondContact O-N 3.01Å; Y302-E305 PolarHBondContact O-N 3.15Å; Y302-R306 WeakPolarHBondContact O-CB 3.17Å; Y302-R306 PolarHBondContact O-N 2.74Å; Y302-R306 PolarHBondContact OH-NH1 3.32Å
303Y95.9Very high92.5Very high49 Ų4954.5 Ų54.519%0.19226%0.258CS..Hα-helixtrans-72.3-31.2179.7-75.3-65000112.4Q299 V300 C301 R306 L307 T322 I325 K329Q299-Y303 WeakPolarHBondContact O-CD2 3.34Å; Q299-Y303 PolarHBondContact O-N 3.33Å; V300-Y303 PolarHBondContact O-N 3.48Å; V300-Y303 VanDerWaalsContact O-N 3.16Å; C301-Y303 PolarHBondContact O-N 3.21Å; Y303-R306 PolarHBondContact O-N 3.18Å; Y303-L307 VanDerWaalsContact O-CB 3.29Å; Y303-L307 WeakPolarHBondContact O-CB 3.37Å; Y303-L307 PolarHBondContact O-N 3.39Å; Y303-T322 HydrophobicContact CD1-CG2 4.19Å; Y303-T322 WeakPolarHBondContact O-CG2 3.45Å; Y303-I325 HydrophobicContact CD1-CB 4.3Å; Y303-I325 HydrophobicContact CD1-CG2 3.99Å; Y303-I325 HydrophobicContact CD2-CG2 3.81Å; Y303-I325 HydrophobicContact CE1-CB 4.17Å; Y303-I325 HydrophobicContact CE1-CD1 4.06Å; Y303-I325 HydrophobicContact CE1-CG2 3.64Å; Y303-I325 HydrophobicContact CE2-CG2 3.47Å; Y303-I325 VanDerWaalsContact CE2-CG2 3.47Å; Y303-I325 HydrophobicContact CG-CG2 4.09Å; Y303-K329 HydrophobicContact CD2-CG 4.32Å; Y303-K329 HydrophobicContact CE2-CG 4.34Å
304T94.4Very high92.1Very high7 Ų758.8 Ų58.84%0.04327%0.273CS..Hα-helixtrans-60.9-48.7170.7-60.20000111.3V300 C301 R306 L307 S308 L494 T498V300-T304 WeakPolarHBondContact O-CB 3.4Å; V300-T304 PolarHBondContact O-N 3Å; V300-T304 PolarHBondContact O-OG1 3.12Å; C301-T304 PolarHBondContact O-N 3.42Å; T304-R306 VanDerWaalsContact C-N 3.34Å; T304-R306 PolarHBondContact O-N 3.28Å; T304-L307 PolarHBondContact O-N 3.46Å; T304-S308 PolarHBondContact O-N 3.14Å; T304-L494 HydrophobicContact CG2-CB 3.56Å; T304-L494 HydrophobicContact CG2-CD1 4.48Å; T304-L494 HydrophobicContact CG2-CD2 3.89Å; T304-L494 HydrophobicContact CG2-CG 4.14Å; T304-T498 WeakPolarHBondContact CG2-OG1 3.33Å
305E93.5Very high91.9Very high112 Ų11258.1 Ų58.152%0.52327%0.273SS..Hα-helixtrans-63.1-41.3175.5-72.3-176.3-172.300112.2C301 Y302 L307 S308 R309C301-E305 PolarHBondContact O-N 2.75Å; Y302-E305 PolarHBondContact O-N 3.15Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-L307 PolarHBondContact O-N 3.03Å; E305-S308 WeakPolarHBondContact O-CB 3.33Å; E305-S308 PolarHBondContact O-N 2.76Å; E305-R309 WeakPolarHBondContact O-CG 3Å; E305-R309 PolarHBondContact O-N 2.89Å; E305-R309 IonicContact OE2-NH2 3.83Å; E305-R309 PolarHBondContact OE2-NH2 2.99Å
306R92.7Very high91.7Very high110 Ų11055.9 Ų55.942%0.41526%0.261SS..Hα-helixtrans-63.4-36.5177.3-172.9176.6168137.60.5111.5Y302 Y303 T304 R309 A310 T322Y302-R306 WeakPolarHBondContact O-CB 3.17Å; Y302-R306 PolarHBondContact O-N 2.74Å; Y302-R306 PolarHBondContact OH-NH1 3.32Å; Y303-R306 PolarHBondContact O-N 3.18Å; T304-R306 VanDerWaalsContact C-N 3.34Å; T304-R306 PolarHBondContact O-N 3.28Å; R306-R309 PolarHBondContact O-N 3.36Å; R306-A310 PolarHBondContact O-N 3.29Å; R306-T322 HydrophobicContact CB-CG2 3.97Å; R306-T322 HydrophobicContact CG-CG2 3.93Å
307L93.6Very high91.4Very high0 Ų059.7 Ų59.70%028%0.281CS..Hα-helixtrans-67.8-40.8175.9-167.466.5000110.9Y303 T304 E305 R309 A310 A311 L319 T322 L323 L326 V437 L494Y303-L307 VanDerWaalsContact O-CB 3.29Å; Y303-L307 WeakPolarHBondContact O-CB 3.37Å; Y303-L307 PolarHBondContact O-N 3.39Å; T304-L307 PolarHBondContact O-N 3.46Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-L307 PolarHBondContact O-N 3.03Å; L307-R309 PolarHBondContact O-N 3.01Å; L307-A310 PolarHBondContact O-N 2.81Å; L307-A311 WeakPolarHBondContact O-CB 3.46Å; L307-A311 PolarHBondContact O-N 2.95Å; L307-L319 HydrophobicContact CD1-CD1 3.55Å; L307-L319 HydrophobicContact CD1-CG 4.02Å; L307-L319 WeakPolarHBondContact CD1-O 3.4Å; L307-L319 HydrophobicContact CG-CD1 4.08Å; L307-T322 HydrophobicContact CB-CG2 3.87Å; L307-T322 HydrophobicContact CD1-CG2 4.04Å; L307-L323 HydrophobicContact CD1-CB 4.14Å; L307-L323 HydrophobicContact CD2-CD1 4.13Å; L307-L326 HydrophobicContact CD2-CD2 3.68Å; L307-V437 HydrophobicContact CD2-CG1 3.97Å; L307-L494 HydrophobicContact CD2-CD2 3.75Å; L307-L494 HydrophobicContact CG-CD2 4.5Å
308S92.6Very high91.2Very high12 Ų1258.9 Ų58.98%0.08428%0.283CS..Hα-helixtrans-60.4-41.6171.4173.50000112.1T304 E305 A311 K312 N487T304-S308 PolarHBondContact O-N 3.14Å; E305-S308 WeakPolarHBondContact O-CB 3.33Å; E305-S308 PolarHBondContact O-N 2.76Å; S308-A311 WeakPolarHBondContact O-CB 2.97Å; S308-A311 PolarHBondContact O-N 3.24Å; S308-K312 WeakPolarHBondContact O-CG 3.15Å; S308-K312 PolarHBondContact O-N 2.97Å; S308-N487 PolarHBondContact OG-OD1 3.4Å
309R91.2Very high91.1Very high104 Ų10454.2 Ų54.239%0.39225%0.254SS..Hα-helixtrans-63.7-45.4175-68.3-178.1-134.61204112E305 R306 L307 A311 K312 E313E305-R309 WeakPolarHBondContact O-CG 3Å; E305-R309 PolarHBondContact O-N 2.89Å; E305-R309 IonicContact OE2-NH2 3.83Å; E305-R309 PolarHBondContact OE2-NH2 2.99Å; R306-R309 PolarHBondContact O-N 3.36Å; L307-R309 PolarHBondContact O-N 3.01Å; R309-A311 PolarHBondContact O-N 3.22Å; R309-K312 WeakPolarHBondContact O-CB 3.4Å; R309-K312 PolarHBondContact O-N 2.92Å; R309-K312 VanDerWaalsContact O-N 3.11Å; R309-E313 WeakPolarHBondContact O-CG 3.46Å; R309-E313 PolarHBondContact O-N 3.37Å
310A90.9Very high91Very high3 Ų354.6 Ų54.63%0.02526%0.256CS..Hα-helixtrans-60.1-34.817600000112.5R306 L307 R314 S315 A318 L319R306-A310 PolarHBondContact O-N 3.29Å; L307-A310 PolarHBondContact O-N 2.81Å; A310-R314 PolarHBondContact O-N 2.85Å; A310-R314 VanDerWaalsContact O-N 3.16Å; A310-S315 PolarHBondContact O-N 3.06Å; A310-S315 VanDerWaalsContact O-N 3.1Å; A310-A318 HydrophobicContact CB-CB 4Å; A310-L319 HydrophobicContact CB-CB 4.48Å; A310-L319 HydrophobicContact CB-CD1 4.13Å
311A88.8Confident90.9Very high0 Ų062.5 Ų62.50%029%0.286CS..Hα-helixtrans-67.7-42.1173.700000112.5L307 S308 R309 E313 R314 L319 W486 N487 L490L307-A311 WeakPolarHBondContact O-CB 3.46Å; L307-A311 PolarHBondContact O-N 2.95Å; S308-A311 WeakPolarHBondContact O-CB 2.97Å; S308-A311 PolarHBondContact O-N 3.24Å; R309-A311 PolarHBondContact O-N 3.22Å; A311-E313 VanDerWaalsContact C-N 3.3Å; A311-E313 PolarHBondContact O-N 3.38Å; A311-R314 PolarHBondContact O-N 3.07Å; A311-L319 HydrophobicContact CB-CD1 4.06Å; A311-W486 HydrophobicContact CB-CB 4.18Å; A311-N487 HydrophobicContact CB-CB 4.35Å; A311-L490 HydrophobicContact CB-CD1 3.66Å
312K88.4Confident91Very high111 Ų11161.1 Ų61.148%0.48328%0.276SS..Hα-helixtrans-63.3-35.4175-70.5175.3-177.7179.40112.8S308 R309 R314 N487S308-K312 WeakPolarHBondContact O-CG 3.15Å; S308-K312 PolarHBondContact O-N 2.97Å; R309-K312 WeakPolarHBondContact O-CB 3.4Å; R309-K312 PolarHBondContact O-N 2.92Å; R309-K312 VanDerWaalsContact O-N 3.11Å; K312-R314 VanDerWaalsContact C-N 3.27Å; K312-N487 WeakPolarHBondContact CE-ND2 3.47Å; K312-N487 HydrophobicContact CG-CB 3.66Å
313E87.9Confident91Very high144 Ų14456.7 Ų56.767%0.67326%0.26SS*.THydrogen-bonded Turntrans-83.2-3.1178.2-67.7170.4-168.700112.9R309 A311 S315R309-E313 WeakPolarHBondContact O-CG 3.46Å; R309-E313 PolarHBondContact O-N 3.37Å; A311-E313 VanDerWaalsContact C-N 3.3Å; A311-E313 PolarHBondContact O-N 3.38Å; E313-S315 PolarHBondContact O-N 3.3Å
314R84.3Confident91Very high90 Ų9057.4 Ų57.434%0.3428%0.276SS..THydrogen-bonded Turntrans49.341.1-176.3-156.2179.4170.1162.5-2.6113.1A310 A311 K312 D448 W486A310-R314 PolarHBondContact O-N 2.85Å; A310-R314 VanDerWaalsContact O-N 3.16Å; A311-R314 PolarHBondContact O-N 3.07Å; K312-R314 VanDerWaalsContact C-N 3.27Å; R314-D448 IonicContact CZ-OD1 2.72Å; R314-D448 IonicContact NE-OD1 2.63Å; R314-D448 IonicContact NH2-OD1 2.78Å; R314-D448 PolarHBondContact NH2-OD1 3.21Å; R314-D448 VanDerWaalsContact NH2-OD1 3.15Å; R314-W486 HydrophobicContact CG-CD2 3.84Å; R314-W486 HydrophobicContact CG-CE3 3.96Å; R314-W486 HydrophobicContact CG-CH2 3.83Å; R314-W486 HydrophobicContact CG-CZ2 3.7Å; R314-W486 HydrophobicContact CG-CZ3 3.96Å
315S86.8Confident91Very high42 Ų4260.1 Ų60.129%0.29429%0.289SS..  trans-97.795.7-177-175.90000111.4A310 E313 N317 A318 L319A310-S315 PolarHBondContact O-N 3.06Å; A310-S315 VanDerWaalsContact O-N 3.1Å; E313-S315 PolarHBondContact O-N 3.3Å; S315-N317 PolarHBondContact O-N 3.33Å; S315-A318 PolarHBondContact O-N 3.01Å; S315-A318 VanDerWaalsContact O-N 3.1Å; S315-A318 VanDerWaalsContact OG-CB 3.31Å; S315-A318 WeakPolarHBondContact OG-CB 3.21Å; S315-L319 WeakPolarHBondContact O-CB 3.42Å; S315-L319 PolarHBondContact O-N 2.96Å
316S86.5Confident91.1Very high27 Ų2754.8 Ų54.819%0.18926%0.264CS..Hα-helixtrans-55.6-46.1-176.8-45.50000112.5A318 L319 E320 D448 W486S316-A318 PolarHBondContact O-N 3.41Å; S316-L319 PolarHBondContact O-N 3Å; S316-E320 PolarHBondContact O-N 3.11Å; S316-D448 PolarHBondContact OG-OD2 3.06Å; S316-W486 WeakPolarHBondContact OG-CH2 3.29Å
317N88Confident91.3Very high97 Ų9750.2 Ų50.252%0.51925%0.249SC..Hα-helixtrans-65-35.8177.5-73.6-26.3000113.4S315 R321S315-N317 PolarHBondContact O-N 3.33Å; N317-R321 VanDerWaalsContact O-CG 3.27Å; N317-R321 WeakPolarHBondContact O-CG 3.49Å; N317-R321 PolarHBondContact O-N 3.04Å
318A88.9Confident91.4Very high27 Ų2754.9 Ų54.922%0.22327%0.27CS..Hα-helixtrans-75.4-34.9177.600000111.3A310 S315 S316 T322A310-A318 HydrophobicContact CB-CB 4Å; S315-A318 PolarHBondContact O-N 3.01Å; S315-A318 VanDerWaalsContact O-N 3.1Å; S315-A318 VanDerWaalsContact OG-CB 3.31Å; S315-A318 WeakPolarHBondContact OG-CB 3.21Å; S316-A318 PolarHBondContact O-N 3.41Å; A318-T322 WeakPolarHBondContact O-CB 3.32Å; A318-T322 PolarHBondContact O-N 3.19Å; A318-T322 PolarHBondContact O-OG1 2.81Å
319L91.8Very high91.6Very high0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-64.9-50.5177.2-161.576.3000110.9L307 A310 A311 S315 S316 R321 T322 L323 V441 L445 W486 L490L307-L319 HydrophobicContact CD1-CD1 3.55Å; L307-L319 HydrophobicContact CD1-CG 4.02Å; L307-L319 WeakPolarHBondContact CD1-O 3.4Å; L307-L319 HydrophobicContact CG-CD1 4.08Å; A310-L319 HydrophobicContact CB-CB 4.48Å; A310-L319 HydrophobicContact CB-CD1 4.13Å; A311-L319 HydrophobicContact CB-CD1 4.06Å; S315-L319 WeakPolarHBondContact O-CB 3.42Å; S315-L319 PolarHBondContact O-N 2.96Å; S316-L319 PolarHBondContact O-N 3Å; L319-R321 PolarHBondContact O-N 3.32Å; L319-T322 PolarHBondContact O-N 2.77Å; L319-L323 VanDerWaalsContact O-CB 3.3Å; L319-L323 WeakPolarHBondContact O-CB 3.46Å; L319-L323 PolarHBondContact O-N 2.96Å; L319-V441 HydrophobicContact CD2-CG1 3.67Å; L319-V441 HydrophobicContact CD2-CG2 4.43Å; L319-V441 HydrophobicContact CG-CG1 3.86Å; L319-V441 HydrophobicContact CG-CG2 4.49Å; L319-L445 HydrophobicContact CD2-CD2 4.26Å; L319-L445 HydrophobicContact CD2-CG 4.41Å; L319-W486 HydrophobicContact CD2-CE3 3.99Å; L319-W486 HydrophobicContact CD2-CZ3 3.9Å; L319-L490 HydrophobicContact CD1-CD1 4.18Å
320E91.9Very high91.7Very high74 Ų7451.6 Ų51.635%0.34626%0.258SS..Hα-helixtrans-57.6-50177-77.3-178.6177.900112S316 T322 L323 A324 L445 K449S316-E320 PolarHBondContact O-N 3.11Å; E320-T322 PolarHBondContact O-N 2.93Å; E320-L323 PolarHBondContact O-N 3.42Å; E320-A324 PolarHBondContact O-N 3.13Å; E320-L445 HydrophobicContact CG-CD1 3.31Å; E320-L445 HydrophobicContact CG-CD2 4.02Å; E320-L445 HydrophobicContact CG-CG 4.31Å; E320-K449 IonicContact OE1-NZ 3.15Å
321R93.5Very high91.9Very high167 Ų16756.9 Ų56.963%0.6328%0.277SS*.Hα-helixtrans-63.9-42.6180-69.8178.3-167.2130.80.6112.4N317 L319 A324 I325N317-R321 VanDerWaalsContact O-CG 3.27Å; N317-R321 WeakPolarHBondContact O-CG 3.49Å; N317-R321 PolarHBondContact O-N 3.04Å; L319-R321 PolarHBondContact O-N 3.32Å; R321-A324 PolarHBondContact O-N 3.19Å; R321-I325 WeakPolarHBondContact O-CG1 3.43Å; R321-I325 PolarHBondContact O-N 3.37Å
322T94.1Very high92.1Very high3 Ų359.9 Ų59.92%0.01829%0.291CS..Hα-helixtrans-70-37.9-178.6-54.90000110.8Y303 R306 L307 A318 L319 E320 I325 L326Y303-T322 HydrophobicContact CD1-CG2 4.19Å; Y303-T322 WeakPolarHBondContact O-CG2 3.45Å; R306-T322 HydrophobicContact CB-CG2 3.97Å; R306-T322 HydrophobicContact CG-CG2 3.93Å; L307-T322 HydrophobicContact CB-CG2 3.87Å; L307-T322 HydrophobicContact CD1-CG2 4.04Å; A318-T322 WeakPolarHBondContact O-CB 3.32Å; A318-T322 PolarHBondContact O-N 3.19Å; A318-T322 PolarHBondContact O-OG1 2.81Å; L319-T322 PolarHBondContact O-N 2.77Å; E320-T322 PolarHBondContact O-N 2.93Å; T322-I325 PolarHBondContact O-N 3.01Å; T322-L326 WeakPolarHBondContact O-CB 3.47Å; T322-L326 PolarHBondContact O-N 3.34Å
323L95.8Very high92.4Very high12 Ų1254.6 Ų54.66%0.06327%0.268CS..Hα-helixtrans-61.6-46.7174.5179.568.3000111.1L307 L319 E320 I325 L326 T327 V437 I438 V441L307-L323 HydrophobicContact CD1-CB 4.14Å; L307-L323 HydrophobicContact CD2-CD1 4.13Å; L319-L323 VanDerWaalsContact O-CB 3.3Å; L319-L323 WeakPolarHBondContact O-CB 3.46Å; L319-L323 PolarHBondContact O-N 2.96Å; E320-L323 PolarHBondContact O-N 3.42Å; L323-I325 VanDerWaalsContact C-N 3.29Å; L323-I325 PolarHBondContact O-N 3.2Å; L323-L326 PolarHBondContact O-N 2.67Å; L323-T327 WeakPolarHBondContact O-CB 3.23Å; L323-T327 PolarHBondContact O-N 3.49Å; L323-T327 PolarHBondContact O-OG1 3.49Å; L323-V437 HydrophobicContact CD1-CG1 3.96Å; L323-I438 HydrophobicContact CD1-CG1 3.97Å; L323-I438 HydrophobicContact CD2-CG1 4.39Å; L323-I438 HydrophobicContact CG-CG1 4.43Å; L323-V441 HydrophobicContact CD1-CG2 4.39Å; L323-V441 HydrophobicContact CD2-CB 3.81Å; L323-V441 HydrophobicContact CD2-CG1 3.64Å; L323-V441 HydrophobicContact CD2-CG2 4.33Å
324A95.1Very high92.5Very high64 Ų6448.1 Ų48.153%0.52924%0.238SC..Hα-helixtrans-56.8-43.5178.900000112.1E320 R321 E328E320-A324 PolarHBondContact O-N 3.13Å; R321-A324 PolarHBondContact O-N 3.19Å; A324-E328 PolarHBondContact O-N 2.9Å; A324-E328 VanDerWaalsContact O-N 3.11Å
325I95.1Very high92.8Very high63 Ų6348.7 Ų48.732%0.32325%0.252SS..Hα-helixtrans-69.3-43.1177.4-58.3165.3000111.1Y303 R321 T322 L323 T327 E328 K329Y303-I325 HydrophobicContact CD1-CB 4.3Å; Y303-I325 HydrophobicContact CD1-CG2 3.99Å; Y303-I325 HydrophobicContact CD2-CG2 3.81Å; Y303-I325 HydrophobicContact CE1-CB 4.17Å; Y303-I325 HydrophobicContact CE1-CD1 4.06Å; Y303-I325 HydrophobicContact CE1-CG2 3.64Å; Y303-I325 HydrophobicContact CE2-CG2 3.47Å; Y303-I325 VanDerWaalsContact CE2-CG2 3.47Å; Y303-I325 HydrophobicContact CG-CG2 4.09Å; R321-I325 WeakPolarHBondContact O-CG1 3.43Å; R321-I325 PolarHBondContact O-N 3.37Å; T322-I325 PolarHBondContact O-N 3.01Å; L323-I325 VanDerWaalsContact C-N 3.29Å; L323-I325 PolarHBondContact O-N 3.2Å; I325-T327 VanDerWaalsContact C-N 3.33Å; I325-T327 PolarHBondContact O-N 2.7Å; I325-E328 PolarHBondContact O-N 3.06Å; I325-K329 HydrophobicContact CG2-CG 4.15Å; I325-K329 WeakPolarHBondContact O-CB 3.41Å; I325-K329 VanDerWaalsContact O-CG 3.32Å; I325-K329 WeakPolarHBondContact O-CG 3.44Å; I325-K329 PolarHBondContact O-N 3.5Å
326L96.1Very high93Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-58.6-45.5177.2178.661.7000111.4V300 L307 T322 L323 K329 T330 L497V300-L326 HydrophobicContact CG1-CD1 3.89Å; L307-L326 HydrophobicContact CD2-CD2 3.68Å; T322-L326 WeakPolarHBondContact O-CB 3.47Å; T322-L326 PolarHBondContact O-N 3.34Å; L323-L326 PolarHBondContact O-N 2.67Å; L326-K329 PolarHBondContact O-N 3.23Å; L326-T330 VanDerWaalsContact O-CB 3.31Å; L326-T330 WeakPolarHBondContact O-CB 3.27Å; L326-T330 PolarHBondContact O-N 2.97Å; L326-T330 PolarHBondContact O-OG1 2.85Å; L326-L497 HydrophobicContact CD1-CD2 4.43Å; L326-L497 HydrophobicContact CD2-CD2 4.07Å; L326-L497 HydrophobicContact CG-CD2 4.42Å
327T95.8Very high93Very high15 Ų1546.7 Ų46.79%0.09224%0.236CC..Hα-helixtrans-59.9-48.8177.4-62.70000111.2L323 I325 K329 T330 R331 L434 I438L323-T327 WeakPolarHBondContact O-CB 3.23Å; L323-T327 PolarHBondContact O-N 3.49Å; L323-T327 PolarHBondContact O-OG1 3.49Å; I325-T327 VanDerWaalsContact C-N 3.33Å; I325-T327 PolarHBondContact O-N 2.7Å; T327-K329 PolarHBondContact O-N 3.41Å; T327-T330 PolarHBondContact O-N 3.23Å; T327-R331 WeakPolarHBondContact O-CG 3.28Å; T327-R331 PolarHBondContact O-N 3.43Å; T327-L434 HydrophobicContact CG2-CD2 4.16Å; T327-I438 HydrophobicContact CG2-CD1 3.91Å
328E96Very high92.9Very high98 Ų9846.6 Ų46.646%0.45824%0.236SC..Hα-helixtrans-59.8-47.8178179.857.7-157.800111.6A324 I325 T330 R331 Q332A324-E328 PolarHBondContact O-N 2.9Å; A324-E328 VanDerWaalsContact O-N 3.11Å; I325-E328 PolarHBondContact O-N 3.06Å; E328-T330 PolarHBondContact O-N 2.97Å; E328-R331 PolarHBondContact O-N 3.42Å; E328-Q332 WeakPolarHBondContact O-CB 3.37Å; E328-Q332 VanDerWaalsContact O-CG 3.28Å; E328-Q332 WeakPolarHBondContact O-CG 3.43Å; E328-Q332 PolarHBondContact O-N 2.82Å; E328-Q332 PolarHBondContact OE1-NE2 3.36Å
329K95.9Very high92.7Very high47 Ų4746 Ų4620%0.20423%0.23CC..Hα-helixtrans-66.8-35.3-179.9-65.2-50.4-179.8-179.20113.5L296 V300 Y303 I325 L326 T327 L333L296-K329 HydrophobicContact CD2-CD 4.27Å; V300-K329 HydrophobicContact CG2-CB 3.99Å; Y303-K329 HydrophobicContact CD2-CG 4.32Å; Y303-K329 HydrophobicContact CE2-CG 4.34Å; I325-K329 HydrophobicContact CG2-CG 4.15Å; I325-K329 WeakPolarHBondContact O-CB 3.41Å; I325-K329 VanDerWaalsContact O-CG 3.32Å; I325-K329 WeakPolarHBondContact O-CG 3.44Å; I325-K329 PolarHBondContact O-N 3.5Å; L326-K329 PolarHBondContact O-N 3.23Å; T327-K329 PolarHBondContact O-N 3.41Å; K329-L333 PolarHBondContact O-N 3.06Å; K329-L333 VanDerWaalsContact O-N 3.09Å
330T94.9Very high92.4Very high0 Ų055.1 Ų55.10%027%0.27CS..Hα-helixtrans-69-43.8177-54.30000110.9L326 T327 E328 L333 V334 V430 L434 L497L326-T330 VanDerWaalsContact O-CB 3.31Å; L326-T330 WeakPolarHBondContact O-CB 3.27Å; L326-T330 PolarHBondContact O-N 2.97Å; L326-T330 PolarHBondContact O-OG1 2.85Å; T327-T330 PolarHBondContact O-N 3.23Å; E328-T330 PolarHBondContact O-N 2.97Å; T330-L333 WeakPolarHBondContact O-CB 3.39Å; T330-L333 PolarHBondContact O-N 3.45Å; T330-V334 WeakPolarHBondContact O-CG2 3.48Å; T330-V334 PolarHBondContact O-N 3.48Å; T330-V334 VanDerWaalsContact O-N 3.08Å; T330-V430 HydrophobicContact CG2-CG1 3.5Å; T330-L434 HydrophobicContact CG2-CB 4.33Å; T330-L434 HydrophobicContact CG2-CD1 4.35Å; T330-L434 HydrophobicContact CG2-CD2 3.82Å; T330-L434 HydrophobicContact CG2-CG 4.39Å; T330-L497 HydrophobicContact CG2-CD1 4.26Å
331R94.4Very high92.3Very high113 Ų11352.2 Ų52.243%0.42626%0.256SS..Hα-helixtrans-64.7-41.3175.5-71.2178.8179.6163.51112.3T327 E328 L333 V334 T335 L434 E435T327-R331 WeakPolarHBondContact O-CG 3.28Å; T327-R331 PolarHBondContact O-N 3.43Å; E328-R331 PolarHBondContact O-N 3.42Å; R331-L333 VanDerWaalsContact C-N 3.29Å; R331-L333 PolarHBondContact O-N 2.92Å; R331-V334 PolarHBondContact O-N 3.22Å; R331-T335 PolarHBondContact O-N 2.97Å; R331-T335 PolarHBondContact O-OG1 2.99Å; R331-T335 VanDerWaalsContact O-OG1 3.09Å; R331-L434 HydrophobicContact CG-CD2 4.25Å; R331-E435 IonicContact NH2-OE1 3.58Å; R331-E435 PolarHBondContact NH2-OE1 2.98Å; R331-E435 VanDerWaalsContact NH2-OE1 3.1Å
332Q93.5Very high92.1Very high63 Ų6344.2 Ų44.229%0.29423%0.226SC..Hα-helixtrans-56.3-43172.4-75.8177.26.500111.9L296 E328 T335 V336L296-Q332 HydrophobicContact CD1-CB 4.37Å; L296-Q332 HydrophobicContact CD2-CB 4.04Å; E328-Q332 WeakPolarHBondContact O-CB 3.37Å; E328-Q332 VanDerWaalsContact O-CG 3.28Å; E328-Q332 WeakPolarHBondContact O-CG 3.43Å; E328-Q332 PolarHBondContact O-N 2.82Å; E328-Q332 PolarHBondContact OE1-NE2 3.36Å; Q332-T335 PolarHBondContact O-N 3.25Å; Q332-V336 WeakPolarHBondContact O-CG2 3.47Å; Q332-V336 PolarHBondContact O-N 3.42Å; Q332-V336 VanDerWaalsContact O-N 3.07Å
333L93.2Very high91.8Very high0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-62.1-45177.2178.464.8000111.7I293 L296 K329 T330 R331 V336 C337 V501 M504I293-L333 HydrophobicContact CB-CD1 4.41Å; I293-L333 HydrophobicContact CG1-CD1 4.38Å; I293-L333 HydrophobicContact CG2-CD1 4.23Å; L296-L333 HydrophobicContact CB-CB 4.04Å; L296-L333 HydrophobicContact CB-CD1 3.79Å; L296-L333 HydrophobicContact CB-CG 4.41Å; L296-L333 HydrophobicContact CD1-CB 4.35Å; L296-L333 HydrophobicContact CD1-CD1 4.44Å; K329-L333 PolarHBondContact O-N 3.06Å; K329-L333 VanDerWaalsContact O-N 3.09Å; T330-L333 WeakPolarHBondContact O-CB 3.39Å; T330-L333 PolarHBondContact O-N 3.45Å; R331-L333 VanDerWaalsContact C-N 3.29Å; R331-L333 PolarHBondContact O-N 2.92Å; L333-V336 PolarHBondContact O-N 2.95Å; L333-C337 PolarHBondContact O-N 2.96Å; L333-C337 VanDerWaalsContact O-N 3.07Å; L333-C337 PolarHBondContact O-SG 3.49Å; L333-V501 HydrophobicContact CD2-CG1 3.65Å; L333-V501 HydrophobicContact CD2-CG2 4.42Å; L333-M504 HydrophobicContact CD1-CE 4.37Å; L333-M504 HydrophobicContact CD2-CE 3.41Å; L333-M504 VanDerWaalsContact CD2-CE 3.41Å; L333-M504 HydrophobicContact CG-CE 3.48Å; L333-M504 VanDerWaalsContact CG-CE 3.48Å
334V91.3Very high91.4Very high8 Ų845.9 Ų45.95%0.04824%0.239CC..Hα-helixtrans-59.9-46177169.90000111.1T330 R331 V336 C337 D338 W427 V430 M504T330-V334 WeakPolarHBondContact O-CG2 3.48Å; T330-V334 PolarHBondContact O-N 3.48Å; T330-V334 VanDerWaalsContact O-N 3.08Å; R331-V334 PolarHBondContact O-N 3.22Å; V334-V336 VanDerWaalsContact C-N 3.34Å; V334-V336 PolarHBondContact O-N 3.48Å; V334-C337 CarbonylContact O-C 3.59Å; V334-C337 WeakPolarHBondContact O-CA 3.35Å; V334-C337 WeakPolarHBondContact O-CB 3.32Å; V334-C337 PolarHBondContact O-N 3.17Å; V334-C337 VanDerWaalsContact O-N 3.1Å; V334-D338 PolarHBondContact O-N 2.65Å; V334-W427 HydrophobicContact CG1-CD2 4.17Å; V334-W427 HydrophobicContact CG1-CE3 3.21Å; V334-W427 HydrophobicContact CG1-CZ3 3.63Å; V334-V430 HydrophobicContact CG2-CB 4.34Å; V334-V430 HydrophobicContact CG2-CG1 4.04Å; V334-M504 HydrophobicContact CG2-CE 4.43Å; V334-M504 HydrophobicContact CG2-SD 4.47Å
335T91.1Very high91.1Very high102 Ų10242.8 Ų42.863%0.62621%0.214SC*.Hα-helixtrans-61.2-38.8177.2-540000113R331 Q332 C337 D338R331-T335 PolarHBondContact O-N 2.97Å; R331-T335 PolarHBondContact O-OG1 2.99Å; R331-T335 VanDerWaalsContact O-OG1 3.09Å; Q332-T335 PolarHBondContact O-N 3.25Å; T335-C337 VanDerWaalsContact C-N 3.29Å; T335-C337 PolarHBondContact O-N 3.33Å; T335-D338 PolarHBondContact O-N 2.93Å
336V89.9Confident90.8Very high27 Ų2740.2 Ų40.216%0.16420%0.2CC..Hα-helixtrans-65.9-35.8175.9170.60000111.3L289 Q292 I293 L296 Q332 L333 V334 D338L289-V336 HydrophobicContact CD2-CG1 3.71Å; Q292-V336 HydrophobicContact CB-CG1 4.06Å; I293-V336 HydrophobicContact CG1-CG1 3.91Å; L296-V336 HydrophobicContact CD1-CB 4.47Å; L296-V336 HydrophobicContact CD1-CG2 3.91Å; Q332-V336 WeakPolarHBondContact O-CG2 3.47Å; Q332-V336 PolarHBondContact O-N 3.42Å; Q332-V336 VanDerWaalsContact O-N 3.07Å; L333-V336 PolarHBondContact O-N 2.95Å; V334-V336 VanDerWaalsContact C-N 3.34Å; V334-V336 PolarHBondContact O-N 3.48Å; V336-D338 VanDerWaalsContact C-N 3.31Å
337C87.3Confident90.3Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-73.9-19175.9-760000113.4L333 V334 T335 S339 L342 W423 M504L333-C337 PolarHBondContact O-N 2.96Å; L333-C337 VanDerWaalsContact O-N 3.07Å; L333-C337 PolarHBondContact O-SG 3.49Å; V334-C337 CarbonylContact O-C 3.59Å; V334-C337 WeakPolarHBondContact O-CA 3.35Å; V334-C337 WeakPolarHBondContact O-CB 3.32Å; V334-C337 PolarHBondContact O-N 3.17Å; V334-C337 VanDerWaalsContact O-N 3.1Å; T335-C337 VanDerWaalsContact C-N 3.29Å; T335-C337 PolarHBondContact O-N 3.33Å; C337-S339 PolarHBondContact O-N 3.33Å; C337-L342 HydrophobicContact CB-CD2 4.29Å; C337-L342 WeakPolarHBondContact O-CD2 3.47Å; C337-W423 HydrophobicContact CB-CH2 4.31Å; C337-W423 HydrophobicContact CB-CZ2 3.86Å; C337-M504 HydrophobicContact CB-SD 4.16Å
338D84.6Confident89.9Confident96 Ų9641.2 Ų41.251%0.51321%0.208SC..  trans-83.157.7172-171.920.4000111.6V334 T335 V336 W427V334-D338 PolarHBondContact O-N 2.65Å; T335-D338 PolarHBondContact O-N 2.93Å; V336-D338 VanDerWaalsContact C-N 3.31Å; D338-W427 HydrophobicContact CB-CH2 4.41Å
339S85.8Confident89.5Confident13 Ų1337 Ų379%0.09119%0.189CC..  trans-110.3127.7179.1172.70000109.8C337 L341 L342 S343C337-S339 PolarHBondContact O-N 3.33Å; S339-L341 PolarHBondContact O-N 2.63Å; S339-L341 VanDerWaalsContact O-N 3.09Å; S339-L341 PolarHBondContact OG-N 3.18Å; S339-L342 WeakPolarHBondContact O-CA 3.48Å; S339-L342 WeakPolarHBondContact O-CB 3.23Å; S339-L342 PolarHBondContact O-N 3.42Å; S339-S343 PolarHBondContact O-N 2.88Å; S339-S343 PolarHBondContact O-OG 2.91Å
340K86.3Confident89Confident192 Ų19235.4 Ų35.484%0.83518%0.184SC*.Hα-helixtrans-51.8-35.5173.9-65.7-172178.3-174.60113L342 S344K340-L342 VanDerWaalsContact C-N 3.34Å; K340-S344 VanDerWaalsContact O-CB 3.28Å; K340-S344 WeakPolarHBondContact O-CB 3.39Å; K340-S344 PolarHBondContact O-N 3.25Å
341L87.9Confident88.6Confident13 Ų1337.5 Ų37.57%0.06820%0.202CC..Hα-helixtrans-65.3-40.9176.5179.662.4000111.3Y278 D282 K285 A286 L289 S339 A345 L515Y278-L341 HydrophobicContact CD1-CD1 3.9Å; Y278-L341 HydrophobicContact CE1-CD1 3.96Å; D282-L341 HydrophobicContact CB-CD1 3.75Å; D282-L341 HydrophobicContact CB-CD2 4.13Å; D282-L341 WeakPolarHBondContact O-CD2 3.42Å; K285-L341 HydrophobicContact CB-CD2 4Å; K285-L341 HydrophobicContact CD-CD2 4.12Å; K285-L341 HydrophobicContact CG-CD2 4.04Å; A286-L341 HydrophobicContact CB-CD2 4.39Å; L289-L341 HydrophobicContact CD1-CD2 4.33Å; S339-L341 PolarHBondContact O-N 2.63Å; S339-L341 VanDerWaalsContact O-N 3.09Å; S339-L341 PolarHBondContact OG-N 3.18Å; L341-A345 WeakPolarHBondContact O-CB 3.47Å; L341-A345 PolarHBondContact O-N 2.84Å; L341-L515 HydrophobicContact CD1-CD1 3.78Å; L341-L515 HydrophobicContact CG-CD1 4.29Å
342L89.5Confident88.1Confident0 Ų032.5 Ų32.50%018%0.184CC..Hα-helixtrans-70.3-44.7179.8-178.256.4000111.5C337 S339 K340 S344 A345 I346 W423 A508 A511 L512C337-L342 HydrophobicContact CB-CD2 4.29Å; C337-L342 WeakPolarHBondContact O-CD2 3.47Å; S339-L342 WeakPolarHBondContact O-CA 3.48Å; S339-L342 WeakPolarHBondContact O-CB 3.23Å; S339-L342 PolarHBondContact O-N 3.42Å; K340-L342 VanDerWaalsContact C-N 3.34Å; L342-S344 VanDerWaalsContact C-N 3.31Å; L342-S344 PolarHBondContact O-N 3.28Å; L342-A345 PolarHBondContact O-N 2.65Å; L342-A345 VanDerWaalsContact O-N 3.15Å; L342-I346 HydrophobicContact CD1-CD1 4.18Å; L342-I346 HydrophobicContact CD1-CG1 4.25Å; L342-I346 HydrophobicContact CG-CD1 3.99Å; L342-I346 HydrophobicContact CG-CG1 4.5Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.21Å; L342-I346 PolarHBondContact O-N 3.03Å; L342-W423 HydrophobicContact CD2-CH2 4.27Å; L342-W423 HydrophobicContact CD2-CZ2 3.63Å; L342-W423 HydrophobicContact CG-CZ2 4.19Å; L342-A508 HydrophobicContact CD1-CB 3.97Å; L342-A508 HydrophobicContact CD2-CB 3.65Å; L342-A508 HydrophobicContact CG-CB 4.4Å; L342-A511 HydrophobicContact CD1-CB 4.17Å; L342-L512 HydrophobicContact CD1-CD1 4.08Å; L342-L512 HydrophobicContact CD1-CD2 3.9Å; L342-L512 HydrophobicContact CD1-CG 3.69Å
343S87.7Confident87.7Confident16 Ų1634.8 Ų34.811%0.11219%0.19CC..Hα-helixtrans-57.1-46.3174.7-54.90000111.1S339 A345 I346 V347S339-S343 PolarHBondContact O-N 2.88Å; S339-S343 PolarHBondContact O-OG 2.91Å; S343-A345 PolarHBondContact O-N 2.81Å; S343-I346 PolarHBondContact O-N 3.2Å; S343-V347 WeakPolarHBondContact O-CG2 3.44Å; S343-V347 PolarHBondContact O-N 2.61Å
344S87.4Confident86.6Confident33 Ų3336.8 Ų36.823%0.23120%0.203CC..Hα-helixtrans-57.4-48.1173.4178.50000112.2M276 K340 L342 I346 V347 A348M276-S344 WeakPolarHBondContact CE-O 3.28Å; M276-S344 WeakPolarHBondContact CE-OG 3.38Å; K340-S344 VanDerWaalsContact O-CB 3.28Å; K340-S344 WeakPolarHBondContact O-CB 3.39Å; K340-S344 PolarHBondContact O-N 3.25Å; L342-S344 VanDerWaalsContact C-N 3.31Å; L342-S344 PolarHBondContact O-N 3.28Å; S344-I346 VanDerWaalsContact C-N 3.31Å; S344-I346 PolarHBondContact O-N 3Å; S344-V347 PolarHBondContact O-N 3.07Å; S344-A348 WeakPolarHBondContact O-CB 3.43Å; S344-A348 PolarHBondContact O-N 3.25Å
345A89Confident85Confident0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-62.8-35.9178.500000113L341 L342 S343 A348 L349 A511 L512 L515L341-A345 WeakPolarHBondContact O-CB 3.47Å; L341-A345 PolarHBondContact O-N 2.84Å; L342-A345 PolarHBondContact O-N 2.65Å; L342-A345 VanDerWaalsContact O-N 3.15Å; S343-A345 PolarHBondContact O-N 2.81Å; A345-A348 PolarHBondContact O-N 2.77Å; A345-L349 WeakPolarHBondContact O-CB 3.34Å; A345-L349 PolarHBondContact O-N 3.17Å; A345-A511 HydrophobicContact CB-CB 4.02Å; A345-L512 HydrophobicContact CB-CD2 4.4Å; A345-L515 HydrophobicContact CB-CB 4.44Å; A345-L515 HydrophobicContact CB-CD1 4.16Å
346I88.8Confident83.2Confident8 Ų842.6 Ų42.64%0.04122%0.222CC..Hα-helixtrans-66.6-46.7177.6-72.3169.6000110.7L342 S343 S344 A348 L349 A350 W423 A511L342-I346 HydrophobicContact CD1-CD1 4.18Å; L342-I346 HydrophobicContact CD1-CG1 4.25Å; L342-I346 HydrophobicContact CG-CD1 3.99Å; L342-I346 HydrophobicContact CG-CG1 4.5Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.21Å; L342-I346 PolarHBondContact O-N 3.03Å; S343-I346 PolarHBondContact O-N 3.2Å; S344-I346 VanDerWaalsContact C-N 3.31Å; S344-I346 PolarHBondContact O-N 3Å; I346-A348 VanDerWaalsContact C-N 3.3Å; I346-A348 PolarHBondContact O-N 2.95Å; I346-L349 PolarHBondContact O-N 3.09Å; I346-A350 WeakPolarHBondContact O-CB 3.3Å; I346-A350 PolarHBondContact O-N 3.13Å; I346-W423 HydrophobicContact CD1-CB 4.22Å; I346-W423 HydrophobicContact CD1-CD2 3.17Å; I346-W423 HydrophobicContact CD1-CE3 3.49Å; I346-W423 VanDerWaalsContact CD1-CE3 3.49Å; I346-W423 HydrophobicContact CD1-CG 3.51Å; I346-W423 HydrophobicContact CD1-CH2 4.13Å; I346-W423 HydrophobicContact CD1-CZ2 3.85Å; I346-W423 HydrophobicContact CD1-CZ3 3.96Å; I346-W423 HydrophobicContact CG2-CB 4.35Å; I346-A511 HydrophobicContact CB-CB 4.31Å; I346-A511 HydrophobicContact CG1-CB 3.47Å; I346-A511 VanDerWaalsContact CG1-CB 3.47Å
347V86.9Confident81Confident21 Ų2144.8 Ų44.813%0.12724%0.238CC..Hα-helixtrans-60.4-43.1175.6173.80000110.3M276 S343 S344 L349 A350 A351M276-V347 HydrophobicContact CE-CB 4.48Å; S343-V347 WeakPolarHBondContact O-CG2 3.44Å; S343-V347 PolarHBondContact O-N 2.61Å; S344-V347 PolarHBondContact O-N 3.07Å; V347-L349 PolarHBondContact O-N 2.96Å; V347-A350 PolarHBondContact O-N 2.94Å; V347-A351 WeakPolarHBondContact O-CB 3.29Å; V347-A351 PolarHBondContact O-N 2.81Å
348A86.5Confident78.9Confident16 Ų1652.1 Ų52.113%0.13227%0.272CS..Hα-helixtrans-62.5-42.5177.700000112.7M276 S344 A345 I346 A352 F514M276-A348 HydrophobicContact CE-CB 4.03Å; S344-A348 WeakPolarHBondContact O-CB 3.43Å; S344-A348 PolarHBondContact O-N 3.25Å; A345-A348 PolarHBondContact O-N 2.77Å; I346-A348 VanDerWaalsContact C-N 3.3Å; I346-A348 PolarHBondContact O-N 2.95Å; A348-A352 WeakPolarHBondContact O-CB 3.48Å; A348-A352 PolarHBondContact O-N 3.24Å; A348-F514 HydrophobicContact CB-CE1 4.28Å; A348-F514 WeakPolarHBondContact O-CE1 3.48Å
349L87.7Confident76.8Confident10 Ų1054.4 Ų54.45%0.05228%0.28CS..Hα-helixtrans-66.1-40.2176.1176.459.5000111.6L156 A345 I346 V347 A352 K510 A511 F514L156-L349 HydrophobicContact CD2-CD1 3.93Å; A345-L349 WeakPolarHBondContact O-CB 3.34Å; A345-L349 PolarHBondContact O-N 3.17Å; I346-L349 PolarHBondContact O-N 3.09Å; V347-L349 PolarHBondContact O-N 2.96Å; L349-A352 WeakPolarHBondContact O-CB 3.41Å; L349-A352 PolarHBondContact O-N 3.07Å; L349-K510 HydrophobicContact CD2-CB 3.97Å; L349-A511 HydrophobicContact CD2-CB 4.37Å; L349-F514 HydrophobicContact CB-CB 4.39Å; L349-F514 HydrophobicContact CB-CD1 3.8Å; L349-F514 HydrophobicContact CB-CE1 4.4Å; L349-F514 HydrophobicContact CB-CG 4.22Å; L349-F514 HydrophobicContact CD1-CB 3.9Å; L349-F514 HydrophobicContact CD1-CD1 4.05Å; L349-F514 HydrophobicContact CD1-CD2 3.93Å; L349-F514 HydrophobicContact CD1-CG 3.69Å; L349-F514 HydrophobicContact CG-CG 4.5Å
350A86.3Confident74.3Confident13 Ų1358 Ų5811%0.10731%0.305CS..Hα-helixtrans-63.1-44.517700000111.7I346 V347 A352 R353 H419I346-A350 WeakPolarHBondContact O-CB 3.3Å; I346-A350 PolarHBondContact O-N 3.13Å; V347-A350 PolarHBondContact O-N 2.94Å; A350-A352 PolarHBondContact O-N 3.08Å; A350-R353 PolarHBondContact O-N 3.09Å; A350-R353 VanDerWaalsContact O-N 3.17Å; A350-H419 HydrophobicContact CB-CB 4.27Å
351A85.4Confident71.8Confident44 Ų4453.3 Ų53.336%0.36429%0.293SS..Hα-helixtrans-62.7-24.7175.600000113.4V347 R353 F356V347-A351 WeakPolarHBondContact O-CB 3.29Å; V347-A351 PolarHBondContact O-N 2.81Å; A351-R353 VanDerWaalsContact C-N 3.33Å; A351-F356 HydrophobicContact CB-CD1 4.48Å; A351-F356 HydrophobicContact CB-CE1 4.26Å; A351-F356 HydrophobicContact CB-CE2 4.31Å; A351-F356 HydrophobicContact CB-CZ 4.18Å
352A84.1Confident69.3Low8 Ų858.7 Ų58.77%0.06633%0.329CS..THydrogen-bonded Turntrans-82.1-4.1178.900000114.3L156 A157 R160 A348 L349 A350 F514L156-A352 HydrophobicContact CD2-CB 4.39Å; A157-A352 WeakPolarHBondContact CB-O 3.25Å; A157-A352 PolarHBondContact N-O 3.46Å; R160-A352 HydrophobicContact CG-CB 4.23Å; A348-A352 WeakPolarHBondContact O-CB 3.48Å; A348-A352 PolarHBondContact O-N 3.24Å; L349-A352 WeakPolarHBondContact O-CB 3.41Å; L349-A352 PolarHBondContact O-N 3.07Å; A350-A352 PolarHBondContact O-N 3.08Å; A352-F514 HydrophobicContact CB-CE1 3.87Å; A352-F514 HydrophobicContact CB-CE2 3.88Å; A352-F514 HydrophobicContact CB-CZ 3.28Å
353R85.3Confident66.5Low111 Ų11163.8 Ų63.842%0.41936%0.364SS..SBendtrans-83.8150.3179.6-69.7-176.5173170.8-1.5112.4A350 A351 Q355 F356A350-R353 PolarHBondContact O-N 3.09Å; A350-R353 VanDerWaalsContact O-N 3.17Å; A351-R353 VanDerWaalsContact C-N 3.33Å; R353-Q355 VanDerWaalsContact C-N 3.26Å; R353-Q355 PolarHBondContact O-N 3.1Å; R353-Q355 VanDerWaalsContact O-N 3.17Å; R353-F356 WeakPolarHBondContact O-CB 3.34Å; R353-F356 PolarHBondContact O-N 3.35Å; R353-F356 VanDerWaalsContact O-N 3.13Å
354P70.8Confident64Low42 Ų4269 Ų6927%0.27340%0.398SS..THydrogen-bonded Turntrans-57.6-33.3-176-23.732.1000114.7E155 F356 S357E155-P354 HydrophobicContact CB-CG 4.15Å; E155-P354 WeakPolarHBondContact O-CD 3.49Å; P354-F356 PolarHBondContact O-N 3.08Å; P354-F356 VanDerWaalsContact O-N 3.14Å; P354-S357 PolarHBondContact O-N 3.04Å
355Q57.2Low61.4Low154 Ų15472.9 Ų72.972%0.7243%0.425SS*.Hα-helixtrans-59.3-25.9-179.5-65.6-179.9-0.200112.9R353 S357R353-Q355 VanDerWaalsContact C-N 3.26Å; R353-Q355 PolarHBondContact O-N 3.1Å; R353-Q355 VanDerWaalsContact O-N 3.17Å; Q355-S357 VanDerWaalsContact C-N 3.32Å; Q355-S357 PolarHBondContact O-N 2.92Å
356F52.5Low58.7Low77 Ų7778.3 Ų78.334%0.33846%0.463SS..Hα-helixtrans-69.5-28.8177.1-143.7-93.7000112.8A351 R353 P354 S360 H415A351-F356 HydrophobicContact CB-CD1 4.48Å; A351-F356 HydrophobicContact CB-CE1 4.26Å; A351-F356 HydrophobicContact CB-CE2 4.31Å; A351-F356 HydrophobicContact CB-CZ 4.18Å; R353-F356 WeakPolarHBondContact O-CB 3.34Å; R353-F356 PolarHBondContact O-N 3.35Å; R353-F356 VanDerWaalsContact O-N 3.13Å; P354-F356 PolarHBondContact O-N 3.08Å; P354-F356 VanDerWaalsContact O-N 3.14Å; F356-S360 PolarHBondContact O-OG 3.24Å; F356-H415 HydrophobicContact CE2-CB 4.42Å; F356-H415 HydrophobicContact CZ-CB 4.44Å
357S45.1Very low55.9Low74 Ų7483.2 Ų83.252%0.51750%0.498SS..Hα-helixtrans-89.7-17-178.3-64.90000114P354 Q355 S360P354-S357 PolarHBondContact O-N 3.04Å; Q355-S357 VanDerWaalsContact C-N 3.32Å; Q355-S357 PolarHBondContact O-N 2.92Å; S357-S360 WeakPolarHBondContact CA-OG 3.44Å; S357-S360 PolarHBondContact O-OG 3.34Å
358Q41.8Very low53.2Low153 Ų15388.1 Ų88.172%0.71553%0.533SS*.Hα-helixtrans-91.3-22.2178.8-75.3-173.6-7.500113.8S360Q358-S360 VanDerWaalsContact C-N 3.28Å
359Q40.4Very low50.4Low145 Ų14595.2 Ų95.268%0.67857%0.568SS**THydrogen-bonded Turntrans-82.4-5173.3-75.3179.7-12.200113.5
360S34.8Very low47.6Very low88 Ų88100.1 Ų100.162%0.61560%0.603SS**THydrogen-bonded Turntrans-92.7-0.1179.719.40000114.1F356 S357 Q358F356-S360 PolarHBondContact O-OG 3.24Å; S357-S360 WeakPolarHBondContact CA-OG 3.44Å; S357-S360 PolarHBondContact O-OG 3.34Å; Q358-S360 VanDerWaalsContact C-N 3.28Å
361T33Very low45.4Very low94 Ų94105.1 Ų105.158%0.57763%0.634SS**SBendtrans-111126168.245.50000110S363T361-S363 PolarHBondContact O-N 3.49Å; T361-S363 VanDerWaalsContact O-N 3.12Å
362P35.2Very low42.7Very low126 Ų126108.7 Ų108.782%0.81866%0.656SS**  trans-68.3115.6174.527.5-29.6000108.3
363S30.9Very low40Very low107 Ų107113 Ų11375%0.74869%0.686SS**PPolyproline II helixtrans-61.2128.8163.9-43.40000108.2T361 S365T361-S363 PolarHBondContact O-N 3.49Å; T361-S363 VanDerWaalsContact O-N 3.12Å; S363-S365 PolarHBondContact O-N 3.29Å
364P35.8Very low37.4Very low125 Ų125119.2 Ų119.281%0.81271%0.71SS**PPolyproline II helixtrans-75.4118.7174.729.6-28.8000108.3
365S32.1Very low35.3Very low114 Ų114122.4 Ų122.480%0.79773%0.733SS**PPolyproline II helixtrans-59.3137.3171.740.70000111.5S363S363-S365 PolarHBondContact O-N 3.29Å
366S31.9Very low34.9Very low114 Ų114120.5 Ų120.580%0.79773%0.734SS**PPolyproline II helixtrans-47.7125.5167.949.80000113.6
367S29.3Very low33.7Very low111 Ų111122 Ų12278%0.77675%0.754SS**  170125.6128530000112.4
368S30.5Very low33Very low124 Ų124129.5 Ų129.587%0.86777%0.771SS**  trans135.3130.9135.268.60000115.9
369L28.7Very low32.3Very low166 Ų166126.7 Ų126.787%0.86977%0.769SS**  trans-48.1143.3-175.7-63.5144.5000117.7
370S28.5Very low32.7Very low113 Ų113124.9 Ų124.979%0.7977%0.769SS**  132.7151127.2-55.60000115.7
371P40.5Very low32.3Very low118 Ų118125 Ų12577%0.76677%0.771SS**  trans-110178.7-148.540.1-30.8000114.8
372S27.7Very low32.1Very low118 Ų118131.7 Ų131.783%0.82579%0.785SS**  trans94.3145.2170.979.40000115.1
373S28.8Very low31.8Very low99 Ų99134.3 Ų134.369%0.69279%0.786SS**  cis-170.7157.4-16.452.70000107
374R29.4Very low32.5Very low241 Ų241134.2 Ų134.291%0.90978%0.783SS**  trans70.2110.4157.4-70.3178.7172.5-165.8-2.7120.1
375S27.2Very low32.2Very low110 Ų110134.4 Ų134.477%0.76978%0.782SS**  trans-55.4-178.1145.6-22.90000112.6
376P49Very low32Very low113 Ų113134.3 Ų134.373%0.73478%0.781SS**  cis-140-165.8-47.934.3-13.6000111.8
377S26.9Very low32.7Very low110 Ų110134.4 Ų134.477%0.76978%0.779SS**  trans87.5146.715985.60000114.9
378R30Very low32.8Very low230 Ų230134.6 Ų134.687%0.86878%0.781SS**  cis-163.9136.417.2-155.9169.7173.2-173.9-3107.1
379S28.2Very low32.8Very low95 Ų95140.2 Ų140.266%0.66478%0.783SS**  trans-41.1-178.4152.753.50000114.9
380P47.6Very low33.5Very low106 Ų106138.3 Ų138.369%0.68878%0.78SS**  cis-143.5-173.1-29.230.4-8.1000114.1
381S27.2Very low33.5Very low92 Ų92137 Ų13764%0.64378%0.776SS**  trans88.4122.2135.477.30000118.6
382R29.7Very low33Very low234 Ų234137.4 Ų137.488%0.88378%0.776SS**  170126.892.5-94.5-179.5178.1-162.3-3.2111.3
383H29Very low33Very low181 Ų181137 Ų13784%0.83877%0.774SS**  trans-49166148.1-81.7-61.7000111.2
384P43.8Very low33.6Very low104 Ų104138.1 Ų138.168%0.67578%0.779SS**  -161-1745042.5-17.9000119.8
385T30.4Very low33.5Very low130 Ų130131.4 Ų131.480%0.79877%0.769SS**  trans83.8112.7147.139.20000121.3
386S27.8Very low33.6Very low112 Ų112136 Ų13678%0.78377%0.769SS**  trans-51.4176150.8-21.30000112.9
387P46.7Very low32.5Very low115 Ų115138 Ų13875%0.74777%0.769SS**  cis-150.2177.94537.1-12.9000118.9
388S31.2Very low32.5Very low116 Ų116139.5 Ų139.581%0.81177%0.772SS**  trans80.9121.414845.20000123.1
389R30Very low32.6Very low242 Ų242132.6 Ų132.691%0.91377%0.765SS**  trans-49.8170.4157.6-94.1176.4161.4-171.1-5114.6
390P43.8Very low32.8Very low125 Ų125133.9 Ų133.981%0.81277%0.771SS**  cis-142.4-177.636.334.9-10.6000118.7
391A28.2Very low32.1Very low85 Ų85134.7 Ų134.770%0.70278%0.776SS**  trans-51.6161.6-17600000116
392T29.6Very low32.2Very low127 Ų127139.5 Ų139.578%0.77979%0.788SS**  -175134.854.1-190000110
393S28.6Very low32.1Very low111 Ų111133 Ų13378%0.77678%0.784SS**  trans38.3167.1147.9-47.20000123.4
394P41.7Very low32Very low121 Ų121129.7 Ų129.779%0.78678%0.782SS**  cis-135.7171.2-8.136.8-16.6000117.1
395S27.1Very low31.3Very low101 Ų101133.8 Ų133.871%0.70679%0.792SS**  trans76.7113.7142.8-168.50000124.3
396R28.7Very low31.4Very low207 Ų207131 Ų13178%0.78179%0.789SS**  trans81.5132.5132.4-92.3177.7-171.6-156.66.8124.8
397H26.5Very low31.6Very low155 Ų155130.5 Ų130.572%0.71879%0.785SS**  trans71.2130.9157.7-60.1-61.9000115.4
398V27.8Very low30.9Very low140 Ų140133.8 Ų133.885%0.84879%0.788SS**  cis-157.7159.544169.40000110.6
399A31.9Very low30.8Very low85 Ų85132.9 Ų132.970%0.70278%0.781SS**  trans-45.9165.4-175.300000119.9
400P30.5Very low30.9Very low123 Ų123129.6 Ų129.680%0.79977%0.774SS**  -145.5-169.9111.346.3-30.8000112.7
401P33.6Very low30.5Very low122 Ų122133.1 Ų133.179%0.79277%0.771SS**  -104.3162-110.117.86.7000114.3
402E29.1Very low30.9Very low194 Ų194132.2 Ų132.291%0.90776%0.763SS**  trans-62.6133.2164.4-64.1-179147.900111.3
403A27.7Very low31.5Very low96 Ų96129 Ų12979%0.79375%0.746SS**  168.4131.7114.600000112.8
404S27.4Very low32.3Very low113 Ų113127.4 Ų127.479%0.7973%0.732SS**  trans78.873.3146.2-178.30000119.7
405E29.1Very low32.6Very low190 Ų190125 Ų12589%0.88871%0.71SS**  trans-106.490.5141.1-84.6-156.9141.100109.9
406G32.4Very low33.9Very low71 Ų71122.1 Ų122.173%0.73269%0.69SS**  trans-142.260.7177.500000111.5
407S31.1Very low35.2Very low101 Ų101116.2 Ų116.271%0.70667%0.674SS**SBendtrans-151-18.4174.2-161.90000116
408K32.5Very low37Very low185 Ų185113.9 Ų113.980%0.80466%0.659SS**SBendtrans-80.5-15.8-179.8-71.4179-179.6167.30115.1
409S30.1Very low38.7Very low96 Ų96109 Ų10967%0.67163%0.627SS**SBendtrans-85.5-29.1-175-155.40000114.5
410K31.8Very low40.3Very low173 Ų173108.8 Ų108.875%0.75261%0.611SS**Hα-helixtrans-75.6-27.1-173.9-76-176.5176.5179.50114.7S413 T414K410-S413 PolarHBondContact O-OG 2.96Å; K410-S413 VanDerWaalsContact O-OG 3.06Å; K410-T414 WeakPolarHBondContact O-CG2 3.45Å; K410-T414 PolarHBondContact O-N 3.28Å; K410-T414 PolarHBondContact O-OG1 3.09Å
411R35.2Very low42.1Very low200 Ų200107.6 Ų107.676%0.75560%0.595SS**Hα-helixtrans-77.8-29.1179.4-90.5-176.1-176.5168.81.5113.9T414 H415R411-T414 WeakPolarHBondContact CA-OG1 3.28Å; R411-T414 PolarHBondContact O-OG1 3.33Å; R411-H415 PolarHBondContact O-CD2 2.88Å; R411-H415 PolarHBondContact O-N 2.96Å
412A37Very low44.1Very low66 Ų66104.7 Ų104.755%0.54557%0.571SS.*Hα-helixtrans-73-32.517700000111.8S416A412-S416 PolarHBondContact O-N 3.41Å
413S41.2Very low46.8Very low58 Ų5895.6 Ų95.641%0.40653%0.528SS..Hα-helixtrans-71-45.817568.90000111.8K410 H415 S416 D417K410-S413 PolarHBondContact O-OG 2.96Å; K410-S413 VanDerWaalsContact O-OG 3.06Å; S413-H415 VanDerWaalsContact C-N 3.25Å; S413-H415 PolarHBondContact O-N 3.26Å; S413-S416 WeakPolarHBondContact O-CB 3.48Å; S413-S416 PolarHBondContact O-N 2.94Å; S413-S416 VanDerWaalsContact O-N 3.09Å; S413-D417 VanDerWaalsContact O-CG 3.23Å; S413-D417 PolarHBondContact O-N 3.48Å
414T45.3Very low49.3Very low79 Ų7996 Ų9649%0.48551%0.514SS..Hα-helixtrans-62.8-27.7-178.750.80000114.3K410 R411 Y418K410-T414 WeakPolarHBondContact O-CG2 3.45Å; K410-T414 PolarHBondContact O-N 3.28Å; K410-T414 PolarHBondContact O-OG1 3.09Å; R411-T414 WeakPolarHBondContact CA-OG1 3.28Å; R411-T414 PolarHBondContact O-OG1 3.33Å; T414-Y418 PolarHBondContact O-N 2.99Å
415H48.7Very low52Low70 Ų7095.6 Ų95.632%0.32450%0.498SS..Hα-helixtrans-85.1-26.9176.1-90.3-82.1000113.4F356 R411 S413 H419F356-H415 HydrophobicContact CE2-CB 4.42Å; F356-H415 HydrophobicContact CZ-CB 4.44Å; R411-H415 PolarHBondContact O-CD2 2.88Å; R411-H415 PolarHBondContact O-N 2.96Å; S413-H415 VanDerWaalsContact C-N 3.25Å; S413-H415 PolarHBondContact O-N 3.26Å; H415-H419 PolarHBondContact O-CD2 2.92Å; H415-H419 PolarHBondContact O-N 2.89Å
416S53.5Low54.7Low41 Ų4187.5 Ų87.529%0.28746%0.461SS..Hα-helixtrans-64-46.6169-173.30000109.9A412 S413 Y418 H419 E420A412-S416 PolarHBondContact O-N 3.41Å; S413-S416 WeakPolarHBondContact O-CB 3.48Å; S413-S416 PolarHBondContact O-N 2.94Å; S413-S416 VanDerWaalsContact O-N 3.09Å; S416-Y418 VanDerWaalsContact C-N 3.31Å; S416-Y418 PolarHBondContact O-N 3.05Å; S416-H419 PolarHBondContact O-N 3.32Å; S416-E420 PolarHBondContact O-N 3.34Å; S416-E420 VanDerWaalsContact O-N 3.17Å
417D56.9Low57.1Low83 Ų8386.4 Ų86.444%0.44444%0.435SS..Hα-helixtrans-60-40.5178.1-59-22.9000111.2S413 H419 E420 E421S413-D417 VanDerWaalsContact O-CG 3.23Å; S413-D417 PolarHBondContact O-N 3.48Å; D417-H419 PolarHBondContact O-N 3.18Å; D417-E420 PolarHBondContact O-N 2.9Å; D417-E421 WeakPolarHBondContact O-CB 3.37Å; D417-E421 WeakPolarHBondContact O-CG 3.22Å; D417-E421 PolarHBondContact O-N 3.22Å
418Y64Low59.7Low106 Ų10685.4 Ų85.442%0.41642%0.422SS..Hα-helixtrans-61.8-43.3178.2178.8-94.3000113.9T414 S416 E421 E422T414-Y418 PolarHBondContact O-N 2.99Å; S416-Y418 VanDerWaalsContact C-N 3.31Å; S416-Y418 PolarHBondContact O-N 3.05Å; Y418-E421 PolarHBondContact O-N 3.37Å; Y418-E422 HydrophobicContact CD1-CG 4.23Å; Y418-E422 HydrophobicContact CE1-CG 3.69Å; Y418-E422 WeakPolarHBondContact CE1-OE1 3.25Å; Y418-E422 HydrophobicContact CE2-CG 4.49Å; Y418-E422 VanDerWaalsContact CZ-OE1 3.23Å; Y418-E422 WeakPolarHBondContact O-CG 3.34Å; Y418-E422 PolarHBondContact O-N 2.76Å; Y418-E422 PolarHBondContact OH-OE1 3.41Å
419H64.3Low62.4Low38 Ų3880.1 Ų80.118%0.17640%0.402CS..Hα-helixtrans-77-25.6-178.9-74.2-55.8000113.1A350 H415 S416 D417 E422 W423A350-H419 HydrophobicContact CB-CB 4.27Å; H415-H419 PolarHBondContact O-CD2 2.92Å; H415-H419 PolarHBondContact O-N 2.89Å; S416-H419 PolarHBondContact O-N 3.32Å; D417-H419 PolarHBondContact O-N 3.18Å; H419-E422 IonicContact CE1-OE2 3.54Å; H419-E422 IonicContact ND1-OE2 3.22Å; H419-E422 PolarHBondContact ND1-OE2 3.04Å; H419-E422 VanDerWaalsContact ND1-OE2 3.14Å; H419-W423 PolarHBondContact O-N 3.15Å
420E65.6Low65.4Low79 Ų7975.5 Ų75.537%0.36937%0.37SS..Hα-helixtrans-68.7-45.7169.1-164.9161.4-162.300110.3S416 D417 E422 W423 E424S416-E420 PolarHBondContact O-N 3.34Å; S416-E420 VanDerWaalsContact O-N 3.17Å; D417-E420 PolarHBondContact O-N 2.9Å; E420-E422 PolarHBondContact O-N 3.39Å; E420-W423 WeakPolarHBondContact O-CB 3.41Å; E420-W423 PolarHBondContact O-N 3.03Å; E420-E424 PolarHBondContact O-N 2.97Å
421E67.6Low68.2Low99 Ų9969.2 Ų69.246%0.46335%0.345SS..Hα-helixtrans-61.5-38.7171.9-74.8-179.4-168.100113D417 Y418 W423 E424 K425D417-E421 WeakPolarHBondContact O-CB 3.37Å; D417-E421 WeakPolarHBondContact O-CG 3.22Å; D417-E421 PolarHBondContact O-N 3.22Å; Y418-E421 PolarHBondContact O-N 3.37Å; E421-W423 VanDerWaalsContact C-N 3.29Å; E421-W423 PolarHBondContact O-N 3.4Å; E421-E424 PolarHBondContact O-N 3.01Å; E421-K425 VanDerWaalsContact O-CG 3.3Å; E421-K425 WeakPolarHBondContact O-CG 3.44Å; E421-K425 PolarHBondContact O-N 3.31Å
422E76.5Confident70.9Confident60 Ų6065.5 Ų65.528%0.2833%0.334SS..Hα-helixtrans-67.2-29.6173.6-81.6-166.5148.100112.8Y418 H419 E420 V426Y418-E422 HydrophobicContact CD1-CG 4.23Å; Y418-E422 HydrophobicContact CE1-CG 3.69Å; Y418-E422 WeakPolarHBondContact CE1-OE1 3.25Å; Y418-E422 HydrophobicContact CE2-CG 4.49Å; Y418-E422 VanDerWaalsContact CZ-OE1 3.23Å; Y418-E422 WeakPolarHBondContact O-CG 3.34Å; Y418-E422 PolarHBondContact O-N 2.76Å; Y418-E422 PolarHBondContact OH-OE1 3.41Å; H419-E422 IonicContact CE1-OE2 3.54Å; H419-E422 IonicContact ND1-OE2 3.22Å; H419-E422 PolarHBondContact ND1-OE2 3.04Å; H419-E422 VanDerWaalsContact ND1-OE2 3.14Å; E420-E422 PolarHBondContact O-N 3.39Å; E422-V426 WeakPolarHBondContact O-CG2 3.33Å
423W84.1Confident73.6Confident3 Ų362.9 Ų62.91%0.01131%0.311CS..Hα-helixtrans-71.3-46.1172.3174.1-124.6000110.8C337 L342 I346 H419 E420 E421 K425 V426 W427 M504 K507 A508C337-W423 HydrophobicContact CB-CH2 4.31Å; C337-W423 HydrophobicContact CB-CZ2 3.86Å; L342-W423 HydrophobicContact CD2-CH2 4.27Å; L342-W423 HydrophobicContact CD2-CZ2 3.63Å; L342-W423 HydrophobicContact CG-CZ2 4.19Å; I346-W423 HydrophobicContact CD1-CB 4.22Å; I346-W423 HydrophobicContact CD1-CD2 3.17Å; I346-W423 HydrophobicContact CD1-CE3 3.49Å; I346-W423 VanDerWaalsContact CD1-CE3 3.49Å; I346-W423 HydrophobicContact CD1-CG 3.51Å; I346-W423 HydrophobicContact CD1-CH2 4.13Å; I346-W423 HydrophobicContact CD1-CZ2 3.85Å; I346-W423 HydrophobicContact CD1-CZ3 3.96Å; I346-W423 HydrophobicContact CG2-CB 4.35Å; H419-W423 PolarHBondContact O-N 3.15Å; E420-W423 WeakPolarHBondContact O-CB 3.41Å; E420-W423 PolarHBondContact O-N 3.03Å; E421-W423 VanDerWaalsContact C-N 3.29Å; E421-W423 PolarHBondContact O-N 3.4Å; W423-K425 VanDerWaalsContact C-N 3.27Å; W423-K425 PolarHBondContact O-N 3.44Å; W423-V426 HydrophobicContact CE3-CB 4.07Å; W423-V426 HydrophobicContact CE3-CG1 4.24Å; W423-V426 HydrophobicContact CZ3-CB 4.3Å; W423-V426 HydrophobicContact CZ3-CG1 3.96Å; W423-V426 WeakPolarHBondContact O-CB 3.47Å; W423-V426 PolarHBondContact O-N 3.43Å; W423-W427 AromaticContact NE1-NE1 3.98Å; W423-W427 PolarHBondContact O-N 3.15Å; W423-M504 HydrophobicContact CH2-CG 3.61Å; W423-M504 HydrophobicContact CZ3-CG 3.98Å; W423-K507 HydrophobicContact CE3-CD 3.92Å; W423-K507 HydrophobicContact CE3-CG 4.31Å; W423-K507 HydrophobicContact CZ3-CB 4.18Å; W423-K507 HydrophobicContact CZ3-CD 4.15Å; W423-K507 HydrophobicContact CZ3-CG 4.2Å; W423-A508 HydrophobicContact CH2-CB 3.92Å
424E81.2Confident76.2Confident104 Ų10460.1 Ų60.149%0.48629%0.292SS..Hα-helixtrans-52.2-44.2174-73.4-173.6171.300112.9E420 E421 V426 W427 L428E420-E424 PolarHBondContact O-N 2.97Å; E421-E424 PolarHBondContact O-N 3.01Å; E424-V426 VanDerWaalsContact C-N 3.26Å; E424-V426 PolarHBondContact O-N 2.97Å; E424-W427 VanDerWaalsContact CA-NE1 3.33Å; E424-W427 HydrophobicContact CG-CZ2 4.47Å; E424-L428 WeakPolarHBondContact O-CB 3.39Å; E424-L428 PolarHBondContact O-N 3.18Å
425K84.2Confident78.5Confident106 Ų10659.8 Ų59.846%0.46129%0.285SS..Hα-helixtrans-60-33.9175.4-71.4165.6-169.1161.20113.2E421 W423 N429E421-K425 VanDerWaalsContact O-CG 3.3Å; E421-K425 WeakPolarHBondContact O-CG 3.44Å; E421-K425 PolarHBondContact O-N 3.31Å; W423-K425 VanDerWaalsContact C-N 3.27Å; W423-K425 PolarHBondContact O-N 3.44Å; K425-N429 PolarHBondContact O-N 3.41Å; K425-N429 VanDerWaalsContact O-N 3.11Å; K425-N429 PolarHBondContact O-ND2 3.27Å; K425-N429 PolarHBondContact O-OD1 2.86Å
426V84.6Confident80.7Confident19 Ų1959.1 Ų59.112%0.11529%0.288CS..Hα-helixtrans-70-46.5-176.5170.50000111.8E422 W423 E424 N429 M504 K507E422-V426 WeakPolarHBondContact O-CG2 3.33Å; W423-V426 HydrophobicContact CE3-CB 4.07Å; W423-V426 HydrophobicContact CE3-CG1 4.24Å; W423-V426 HydrophobicContact CZ3-CB 4.3Å; W423-V426 HydrophobicContact CZ3-CG1 3.96Å; W423-V426 WeakPolarHBondContact O-CB 3.47Å; W423-V426 PolarHBondContact O-N 3.43Å; E424-V426 VanDerWaalsContact C-N 3.26Å; E424-V426 PolarHBondContact O-N 2.97Å; V426-N429 PolarHBondContact O-N 2.88Å; V426-M504 HydrophobicContact CG1-CB 3.83Å; V426-M504 HydrophobicContact CG1-CG 4.2Å; V426-K507 HydrophobicContact CG2-CD 4.19Å
427W83Confident82.6Confident48 Ų4857.2 Ų57.218%0.18227%0.274CS..Hα-helixtrans-78.5-29.1177.759.4-86.1000112.5V334 D338 W423 E424 N429 V430 D431 M504V334-W427 HydrophobicContact CG1-CD2 4.17Å; V334-W427 HydrophobicContact CG1-CE3 3.21Å; V334-W427 HydrophobicContact CG1-CZ3 3.63Å; D338-W427 HydrophobicContact CB-CH2 4.41Å; W423-W427 AromaticContact NE1-NE1 3.98Å; W423-W427 PolarHBondContact O-N 3.15Å; E424-W427 VanDerWaalsContact CA-NE1 3.33Å; E424-W427 HydrophobicContact CG-CZ2 4.47Å; W427-N429 PolarHBondContact O-N 2.78Å; W427-V430 VanDerWaalsContact O-CB 3.31Å; W427-V430 WeakPolarHBondContact O-CB 3.47Å; W427-V430 PolarHBondContact O-N 3.34Å; W427-D431 PolarHBondContact O-N 3.37Å; W427-M504 HydrophobicContact CB-CG 4.38Å; W427-M504 HydrophobicContact CB-SD 3.44Å; W427-M504 WeakPolarHBondContact CB-SD 3.48Å
428L86.1Confident84.4Confident81 Ų8154.4 Ų54.442%0.42426%0.259SS..Hα-helixtrans-61.5-30.9170.2-166.173.6000112.7E424 V430 D431 K432E424-L428 WeakPolarHBondContact O-CB 3.39Å; E424-L428 PolarHBondContact O-N 3.18Å; L428-V430 VanDerWaalsContact C-N 3.33Å; L428-D431 PolarHBondContact O-N 3.19Å; L428-K432 WeakPolarHBondContact O-CG 3.39Å; L428-K432 PolarHBondContact O-N 3.34Å
429N90.4Very high85.8Confident73 Ų7354.2 Ų54.239%0.3926%0.262SS..Hα-helixtrans-67.8-32.6173.5-73.6-18.7000112.5K425 V426 W427 S433K425-N429 PolarHBondContact O-N 3.41Å; K425-N429 VanDerWaalsContact O-N 3.11Å; K425-N429 PolarHBondContact O-ND2 3.27Å; K425-N429 PolarHBondContact O-OD1 2.86Å; V426-N429 PolarHBondContact O-N 2.88Å; W427-N429 PolarHBondContact O-N 2.78Å; N429-S433 VanDerWaalsContact O-CB 3.29Å; N429-S433 WeakPolarHBondContact O-CB 3.32Å; N429-S433 PolarHBondContact O-N 2.98Å
430V92.1Very high87.1Confident0 Ų052.8 Ų52.80%026%0.256CS..Hα-helixtrans-64.3-47.3173.6176.70000109.8T330 V334 W427 L428 S433 L434 L497 C500 V501 M504T330-V430 HydrophobicContact CG2-CG1 3.5Å; V334-V430 HydrophobicContact CG2-CB 4.34Å; V334-V430 HydrophobicContact CG2-CG1 4.04Å; W427-V430 VanDerWaalsContact O-CB 3.31Å; W427-V430 WeakPolarHBondContact O-CB 3.47Å; W427-V430 PolarHBondContact O-N 3.34Å; L428-V430 VanDerWaalsContact C-N 3.33Å; V430-S433 PolarHBondContact O-N 3.39Å; V430-L434 WeakPolarHBondContact O-CB 3.23Å; V430-L434 PolarHBondContact O-N 3.01Å; V430-L497 HydrophobicContact CG1-CD1 4.31Å; V430-C500 HydrophobicContact CG2-CB 3.88Å; V430-V501 HydrophobicContact CG1-CG2 3.77Å; V430-V501 HydrophobicContact CG2-CG2 4.38Å; V430-M504 HydrophobicContact CG1-CE 4.5Å; V430-M504 HydrophobicContact CG2-CB 4.16Å; V430-M504 HydrophobicContact CG2-CE 4.01Å; V430-M504 HydrophobicContact CG2-SD 3.94Å
431D89.8Confident88.4Confident41 Ų4149 Ų4922%0.21924%0.238CC..Hα-helixtrans-61.6-46.3177.1-78.1-22.6000111.9W427 L428 S433 L434 E435W427-D431 PolarHBondContact O-N 3.37Å; L428-D431 PolarHBondContact O-N 3.19Å; D431-S433 VanDerWaalsContact C-N 3.33Å; D431-S433 PolarHBondContact O-N 3.22Å; D431-L434 PolarHBondContact O-N 3.06Å; D431-E435 WeakPolarHBondContact O-CG 3.33Å; D431-E435 PolarHBondContact O-N 3.5Å
432K92.2Very high89.5Confident122 Ų12247.8 Ų47.853%0.5324%0.235SC..Hα-helixtrans-59.7-42.5176.2-74.2174.8-177.9174.70112.3L428 E435 C436L428-K432 WeakPolarHBondContact O-CG 3.39Å; L428-K432 PolarHBondContact O-N 3.34Å; K432-E435 PolarHBondContact O-N 3.15Å; K432-C436 PolarHBondContact O-N 3.35Å; K432-C436 PolarHBondContact O-SG 2.98Å; K432-C436 VanDerWaalsContact O-SG 3.37Å
433S94.3Very high90.2Very high10 Ų1050.8 Ų50.87%0.0724%0.244CC..Hα-helixtrans-65.4-41.3178.1-174.90000111.5N429 V430 D431 C436 V437 L497N429-S433 VanDerWaalsContact O-CB 3.29Å; N429-S433 WeakPolarHBondContact O-CB 3.32Å; N429-S433 PolarHBondContact O-N 2.98Å; V430-S433 PolarHBondContact O-N 3.39Å; D431-S433 VanDerWaalsContact C-N 3.33Å; D431-S433 PolarHBondContact O-N 3.22Å; S433-C436 WeakPolarHBondContact O-CB 3.09Å; S433-C436 PolarHBondContact O-N 3.23Å; S433-V437 WeakPolarHBondContact O-CG2 3.45Å; S433-V437 PolarHBondContact O-N 3.04Å; S433-V437 VanDerWaalsContact O-N 3.13Å; S433-L497 WeakPolarHBondContact OG-CA 3.49Å; S433-L497 WeakPolarHBondContact OG-CB 3.17Å; S433-L497 PolarHBondContact OG-N 2.71Å
434L95.1Very high90.3Very high0 Ų051.7 Ų51.70%025%0.248CC..Hα-helixtrans-62.6-45.9175.4179.666.7000111.8T327 T330 R331 V430 D431 C436 V437 I438 L497T327-L434 HydrophobicContact CG2-CD2 4.16Å; T330-L434 HydrophobicContact CG2-CB 4.33Å; T330-L434 HydrophobicContact CG2-CD1 4.35Å; T330-L434 HydrophobicContact CG2-CD2 3.82Å; T330-L434 HydrophobicContact CG2-CG 4.39Å; R331-L434 HydrophobicContact CG-CD2 4.25Å; V430-L434 WeakPolarHBondContact O-CB 3.23Å; V430-L434 PolarHBondContact O-N 3.01Å; D431-L434 PolarHBondContact O-N 3.06Å; L434-C436 VanDerWaalsContact C-N 3.3Å; L434-C436 PolarHBondContact O-N 3.41Å; L434-V437 WeakPolarHBondContact O-CB 3.42Å; L434-V437 PolarHBondContact O-N 2.99Å; L434-V437 VanDerWaalsContact O-N 3.07Å; L434-I438 HydrophobicContact CD1-CD1 4.47Å; L434-I438 HydrophobicContact CG-CD1 3.98Å; L434-I438 WeakPolarHBondContact O-CG1 3.11Å; L434-I438 PolarHBondContact O-N 3.47Å; L434-L497 HydrophobicContact CB-CD1 4.2Å; L434-L497 HydrophobicContact CD1-CD2 4.24Å
435E94.3Very high90.7Very high73 Ų7347 Ų4734%0.34123%0.227SC..Hα-helixtrans-61.5-37.8177.3-70.7-61.9145.800111.8R331 D431 K432 V437 I438 Q439R331-E435 IonicContact NH2-OE1 3.58Å; R331-E435 PolarHBondContact NH2-OE1 2.98Å; R331-E435 VanDerWaalsContact NH2-OE1 3.1Å; D431-E435 WeakPolarHBondContact O-CG 3.33Å; D431-E435 PolarHBondContact O-N 3.5Å; K432-E435 PolarHBondContact O-N 3.15Å; E435-V437 VanDerWaalsContact C-N 3.34Å; E435-V437 PolarHBondContact O-N 2.99Å; E435-I438 PolarHBondContact O-N 2.87Å; E435-Q439 WeakPolarHBondContact O-CB 2.98Å; E435-Q439 VanDerWaalsContact O-CG 3.28Å; E435-Q439 WeakPolarHBondContact O-CG 3.34Å; E435-Q439 PolarHBondContact O-N 3.47Å
436C94.3Very high90.7Very high56 Ų5648 Ų4838%0.37823%0.233SC..Hα-helixtrans-61-40.2172-750000112.7K432 S433 L434 T440 L493K432-C436 PolarHBondContact O-N 3.35Å; K432-C436 PolarHBondContact O-SG 2.98Å; K432-C436 VanDerWaalsContact O-SG 3.37Å; S433-C436 WeakPolarHBondContact O-CB 3.09Å; S433-C436 PolarHBondContact O-N 3.23Å; L434-C436 VanDerWaalsContact C-N 3.3Å; L434-C436 PolarHBondContact O-N 3.41Å; C436-T440 VanDerWaalsContact O-CB 3.31Å; C436-T440 WeakPolarHBondContact O-CB 3.46Å; C436-T440 PolarHBondContact O-N 2.79Å; C436-T440 VanDerWaalsContact O-N 3.12Å; C436-T440 PolarHBondContact O-OG1 3.22Å; C436-L493 HydrophobicContact CB-CD2 4.29Å
437V94.4Very high90.6Very high0 Ų055.3 Ų55.30%026%0.258CS..Hα-helixtrans-64.9-48.4175.3173.20000110.3L307 L323 S433 L434 E435 T440 V441 L493 L494 L497L307-V437 HydrophobicContact CD2-CG1 3.97Å; L323-V437 HydrophobicContact CD1-CG1 3.96Å; S433-V437 WeakPolarHBondContact O-CG2 3.45Å; S433-V437 PolarHBondContact O-N 3.04Å; S433-V437 VanDerWaalsContact O-N 3.13Å; L434-V437 WeakPolarHBondContact O-CB 3.42Å; L434-V437 PolarHBondContact O-N 2.99Å; L434-V437 VanDerWaalsContact O-N 3.07Å; E435-V437 VanDerWaalsContact C-N 3.34Å; E435-V437 PolarHBondContact O-N 2.99Å; V437-T440 PolarHBondContact O-N 2.84Å; V437-V441 HydrophobicContact CG1-CG2 4.36Å; V437-V441 WeakPolarHBondContact O-CG2 3.45Å; V437-V441 PolarHBondContact O-N 3.28Å; V437-L493 HydrophobicContact CG2-CB 3.82Å; V437-L494 HydrophobicContact CG1-CD2 3.85Å; V437-L494 HydrophobicContact CG2-CD2 4.11Å; V437-L497 HydrophobicContact CG2-CD2 4.38Å
438I94.3Very high90.5Very high24 Ų2454.8 Ų54.812%0.12326%0.259CS..Hα-helixtrans-56.2-55179-67.1166.3000110.4L323 T327 L434 E435 T440 V441 D442L323-I438 HydrophobicContact CD1-CG1 3.97Å; L323-I438 HydrophobicContact CD2-CG1 4.39Å; L323-I438 HydrophobicContact CG-CG1 4.43Å; T327-I438 HydrophobicContact CG2-CD1 3.91Å; L434-I438 HydrophobicContact CD1-CD1 4.47Å; L434-I438 HydrophobicContact CG-CD1 3.98Å; L434-I438 WeakPolarHBondContact O-CG1 3.11Å; L434-I438 PolarHBondContact O-N 3.47Å; E435-I438 PolarHBondContact O-N 2.87Å; I438-T440 PolarHBondContact O-N 2.71Å; I438-V441 PolarHBondContact O-N 3.49Å; I438-D442 PolarHBondContact O-N 2.94Å
439Q93.4Very high90.2Very high102 Ų10256.4 Ų56.448%0.47726%0.263SS..Hα-helixtrans-58.7-36.6-179.6-71.1175.713.600112.7E435 R443E435-Q439 WeakPolarHBondContact O-CB 2.98Å; E435-Q439 VanDerWaalsContact O-CG 3.28Å; E435-Q439 WeakPolarHBondContact O-CG 3.34Å; E435-Q439 PolarHBondContact O-N 3.47Å; Q439-R443 WeakPolarHBondContact O-CB 3.21Å; Q439-R443 VanDerWaalsContact O-CG 3.32Å; Q439-R443 WeakPolarHBondContact O-CG 3.48Å; Q439-R443 PolarHBondContact O-N 2.8Å
440T92.3Very high89.3Confident8 Ų858.7 Ų58.75%0.04928%0.275CS..Hα-helixtrans-72.2-42.8-179.8-58.20000111.5C436 V437 I438 R443 L444 V489 L490 L493C436-T440 VanDerWaalsContact O-CB 3.31Å; C436-T440 WeakPolarHBondContact O-CB 3.46Å; C436-T440 PolarHBondContact O-N 2.79Å; C436-T440 VanDerWaalsContact O-N 3.12Å; C436-T440 PolarHBondContact O-OG1 3.22Å; V437-T440 PolarHBondContact O-N 2.84Å; I438-T440 PolarHBondContact O-N 2.71Å; T440-R443 PolarHBondContact O-N 3.42Å; T440-R443 PolarHBondContact OG1-NH2 2.95Å; T440-L444 HydrophobicContact CG2-CD1 4.46Å; T440-L444 VanDerWaalsContact O-CG 3.32Å; T440-L444 WeakPolarHBondContact O-CG 3.18Å; T440-L444 PolarHBondContact O-N 3.49Å; T440-V489 HydrophobicContact CG2-CG1 3.59Å; T440-L490 HydrophobicContact CG2-CD2 3.8Å; T440-L493 HydrophobicContact CG2-CD1 3.86Å; T440-L493 WeakPolarHBondContact OG1-CD1 3.3Å
441V91.6Very high88Confident0 Ų063.6 Ų63.60%030%0.298CS..Hα-helixtrans-62.1-45173.9170.70000110.8L319 L323 V437 I438 R443 L444 L445 L490L319-V441 HydrophobicContact CD2-CG1 3.67Å; L319-V441 HydrophobicContact CD2-CG2 4.43Å; L319-V441 HydrophobicContact CG-CG1 3.86Å; L319-V441 HydrophobicContact CG-CG2 4.49Å; L323-V441 HydrophobicContact CD1-CG2 4.39Å; L323-V441 HydrophobicContact CD2-CB 3.81Å; L323-V441 HydrophobicContact CD2-CG1 3.64Å; L323-V441 HydrophobicContact CD2-CG2 4.33Å; V437-V441 HydrophobicContact CG1-CG2 4.36Å; V437-V441 WeakPolarHBondContact O-CG2 3.45Å; V437-V441 PolarHBondContact O-N 3.28Å; I438-V441 PolarHBondContact O-N 3.49Å; V441-R443 VanDerWaalsContact C-N 3.32Å; V441-R443 PolarHBondContact O-N 3.33Å; V441-L444 WeakPolarHBondContact O-CB 3.42Å; V441-L444 PolarHBondContact O-N 2.85Å; V441-L444 VanDerWaalsContact O-N 3.09Å; V441-L445 HydrophobicContact CG1-CD1 3.63Å; V441-L445 HydrophobicContact CG1-CG 4.17Å; V441-L445 VanDerWaalsContact O-CG 3.31Å; V441-L445 WeakPolarHBondContact O-CG 3.37Å; V441-L445 PolarHBondContact O-N 3.4Å; V441-L490 HydrophobicContact CG2-CD1 4.17Å; V441-L490 HydrophobicContact CG2-CD2 3.61Å
442D91.7Very high86.6Confident73 Ų7364.6 Ų64.639%0.3931%0.308SS..Hα-helixtrans-60.2-41.8177.8-72.5-20.3000111.8I438 L444 L445 Q446I438-D442 PolarHBondContact O-N 2.94Å; D442-L444 PolarHBondContact O-N 3.04Å; D442-L445 PolarHBondContact O-N 2.82Å; D442-Q446 WeakPolarHBondContact O-CB 3.45Å; D442-Q446 VanDerWaalsContact O-CG 3.26Å; D442-Q446 WeakPolarHBondContact O-CG 3.25Å; D442-Q446 PolarHBondContact O-N 2.83Å
443R90Very high84.6Confident124 Ų12464.4 Ų64.447%0.46831%0.312SS..Hα-helixtrans-62.7-39.4173.7-76.9-169.1-54.6-102.90.4112.8Q439 T440 V441 R447Q439-R443 WeakPolarHBondContact O-CB 3.21Å; Q439-R443 VanDerWaalsContact O-CG 3.32Å; Q439-R443 WeakPolarHBondContact O-CG 3.48Å; Q439-R443 PolarHBondContact O-N 2.8Å; T440-R443 PolarHBondContact O-N 3.42Å; T440-R443 PolarHBondContact OG1-NH2 2.95Å; V441-R443 VanDerWaalsContact C-N 3.32Å; V441-R443 PolarHBondContact O-N 3.33Å; R443-R447 WeakPolarHBondContact O-CB 3.47Å; R443-R447 PolarHBondContact O-N 2.96Å
444L88.1Confident82.5Confident21 Ų2168.1 Ų68.111%0.1134%0.338CS..Hα-helixtrans-66.1-44.8177.5-71.4171.3000110.9T440 V441 D442 R447 D448 W486 L490T440-L444 HydrophobicContact CG2-CD1 4.46Å; T440-L444 VanDerWaalsContact O-CG 3.32Å; T440-L444 WeakPolarHBondContact O-CG 3.18Å; T440-L444 PolarHBondContact O-N 3.49Å; V441-L444 WeakPolarHBondContact O-CB 3.42Å; V441-L444 PolarHBondContact O-N 2.85Å; V441-L444 VanDerWaalsContact O-N 3.09Å; D442-L444 PolarHBondContact O-N 3.04Å; L444-R447 PolarHBondContact O-N 3.01Å; L444-D448 PolarHBondContact O-N 2.93Å; L444-W486 HydrophobicContact CD1-CB 4.36Å; L444-W486 HydrophobicContact CD1-CG 4.36Å; L444-W486 HydrophobicContact CD2-CG 4.27Å; L444-L490 HydrophobicContact CD1-CD1 3.67Å; L444-L490 HydrophobicContact CD1-CD2 4.22Å; L444-L490 HydrophobicContact CD1-CG 3.76Å
445L88Confident80.2Confident7 Ų772.1 Ų72.14%0.03737%0.367CS..Hα-helixtrans-66-39.6177.8-67.3167.4000112.3L319 E320 V441 D442 D448 K449L319-L445 HydrophobicContact CD2-CD2 4.26Å; L319-L445 HydrophobicContact CD2-CG 4.41Å; E320-L445 HydrophobicContact CG-CD1 3.31Å; E320-L445 HydrophobicContact CG-CD2 4.02Å; E320-L445 HydrophobicContact CG-CG 4.31Å; V441-L445 HydrophobicContact CG1-CD1 3.63Å; V441-L445 HydrophobicContact CG1-CG 4.17Å; V441-L445 VanDerWaalsContact O-CG 3.31Å; V441-L445 WeakPolarHBondContact O-CG 3.37Å; V441-L445 PolarHBondContact O-N 3.4Å; D442-L445 PolarHBondContact O-N 2.82Å; L445-D448 PolarHBondContact O-N 3.47Å; L445-K449 WeakPolarHBondContact O-CG 3.27Å; L445-K449 PolarHBondContact O-N 2.99Å
446Q85.8Confident77.8Confident125 Ų12573.1 Ų73.158%0.58438%0.381SS*.Hα-helixtrans-63.7-42.3173.8-76.2176.15.100111.7D442 D448 K449 L450D442-Q446 WeakPolarHBondContact O-CB 3.45Å; D442-Q446 VanDerWaalsContact O-CG 3.26Å; D442-Q446 WeakPolarHBondContact O-CG 3.25Å; D442-Q446 PolarHBondContact O-N 2.83Å; Q446-D448 VanDerWaalsContact C-N 3.31Å; Q446-D448 PolarHBondContact O-N 3.28Å; Q446-K449 PolarHBondContact O-N 3.25Å; Q446-L450 WeakPolarHBondContact O-CG 3.26Å; Q446-L450 PolarHBondContact O-N 3.05Å
447R82.5Confident75.2Confident173 Ų17378.7 Ų78.765%0.65340%0.402SS*.Hα-helixtrans-61.5-39.1174.3-99.6-176151.2101.5-2.3112.5R443 L444 L450 Q451R443-R447 WeakPolarHBondContact O-CB 3.47Å; R443-R447 PolarHBondContact O-N 2.96Å; L444-R447 PolarHBondContact O-N 3.01Å; R447-L450 PolarHBondContact O-N 3.42Å; R447-Q451 WeakPolarHBondContact O-CB 3.36Å; R447-Q451 WeakPolarHBondContact O-CG 3.49Å; R447-Q451 PolarHBondContact O-N 3.38Å
448D80.8Confident72.6Confident37 Ų3785.9 Ų85.920%0.19844%0.44CS..Hα-helixtrans-68.9-39.1178.8-157.860.1000111.9R314 S316 L444 L445 Q446 Q451 S452 W486R314-D448 IonicContact CZ-OD1 2.72Å; R314-D448 IonicContact NE-OD1 2.63Å; R314-D448 IonicContact NH2-OD1 2.78Å; R314-D448 PolarHBondContact NH2-OD1 3.21Å; R314-D448 VanDerWaalsContact NH2-OD1 3.15Å; S316-D448 PolarHBondContact OG-OD2 3.06Å; L444-D448 PolarHBondContact O-N 2.93Å; L445-D448 PolarHBondContact O-N 3.47Å; Q446-D448 VanDerWaalsContact C-N 3.31Å; Q446-D448 PolarHBondContact O-N 3.28Å; D448-Q451 PolarHBondContact O-N 3.44Å; D448-S452 WeakPolarHBondContact O-CB 3.37Å; D448-S452 PolarHBondContact O-N 2.91Å; D448-S452 PolarHBondContact O-OG 2.81Å; D448-W486 HydrophobicContact CB-CH2 4.14Å; D448-W486 HydrophobicContact CB-CZ2 3.8Å; D448-W486 WeakPolarHBondContact OD1-CZ2 3.31Å
449K79.5Confident70.2Confident115 Ų11590.7 Ų90.750%0.547%0.47SS..Hα-helixtrans-62.5-44.1172.3-73.4173.4-175.2169.70111.9E320 L445 Q446 Q451 S452 D453E320-K449 IonicContact OE1-NZ 3.15Å; L445-K449 WeakPolarHBondContact O-CG 3.27Å; L445-K449 PolarHBondContact O-N 2.99Å; Q446-K449 PolarHBondContact O-N 3.25Å; K449-Q451 PolarHBondContact O-N 3.35Å; K449-S452 WeakPolarHBondContact CA-OG 3.39Å; K449-S452 PolarHBondContact O-N 2.81Å; K449-S452 PolarHBondContact O-OG 2.85Å; K449-D453 PolarHBondContact O-N 2.69Å
450L71.8Confident67.5Low122 Ų12295.1 Ų95.164%0.63949%0.488SS*.Hα-helixtrans-66.5-36.2176.6-71.3164.9000113.1Q446 R447 S454Q446-L450 WeakPolarHBondContact O-CG 3.26Å; Q446-L450 PolarHBondContact O-N 3.05Å; R447-L450 PolarHBondContact O-N 3.42Å; L450-S454 VanDerWaalsContact O-CB 3.23Å; L450-S454 WeakPolarHBondContact O-CB 3.47Å; L450-S454 PolarHBondContact O-N 3.46Å; L450-S454 VanDerWaalsContact O-N 3.08Å
451Q64.7Low65Low103 Ų103102.6 Ų102.648%0.48153%0.527SS..Hα-helixtrans-72.7-31.9175.9-77.4-177.7-11.100113R447 D448 K449 S455R447-Q451 WeakPolarHBondContact O-CB 3.36Å; R447-Q451 WeakPolarHBondContact O-CG 3.49Å; R447-Q451 PolarHBondContact O-N 3.38Å; D448-Q451 PolarHBondContact O-N 3.44Å; K449-Q451 PolarHBondContact O-N 3.35Å; Q451-S455 PolarHBondContact O-N 2.92Å
452S59.4Low62.5Low62 Ų62111.2 Ų111.243%0.43457%0.572SS.*Hα-helixtrans-74.6-42.3175.7420000112.1D448 K449 S455D448-S452 WeakPolarHBondContact O-CB 3.37Å; D448-S452 PolarHBondContact O-N 2.91Å; D448-S452 PolarHBondContact O-OG 2.81Å; K449-S452 WeakPolarHBondContact CA-OG 3.39Å; K449-S452 PolarHBondContact O-N 2.81Å; K449-S452 PolarHBondContact O-OG 2.85Å; S452-S455 PolarHBondContact O-N 3.23Å; S452-S455 PolarHBondContact O-OG 3.4Å
453D51.6Low59.9Low117 Ų117111.9 Ų111.963%0.62659%0.588SS**Hα-helixtrans-67-38.9176-76.8-18.9000112.5K449 S455 S456K449-D453 PolarHBondContact O-N 2.69Å; D453-S455 PolarHBondContact O-N 2.84Å; D453-S456 PolarHBondContact O-N 3.13Å; D453-S456 VanDerWaalsContact O-N 3.15Å
454S48.4Very low57.2Low88 Ų88113.9 Ų113.962%0.61561%0.608SS**THydrogen-bonded Turntrans-69.8-15.9178.1-164.40000113.8L450L450-S454 VanDerWaalsContact O-CB 3.23Å; L450-S454 WeakPolarHBondContact O-CB 3.47Å; L450-S454 PolarHBondContact O-N 3.46Å; L450-S454 VanDerWaalsContact O-N 3.08Å
455S46.5Very low54.6Low85 Ų85122.2 Ų122.259%0.59464%0.644SS**THydrogen-bonded Turntrans-86.9-7.7174.575.20000113.7Q451 S452 D453Q451-S455 PolarHBondContact O-N 2.92Å; S452-S455 PolarHBondContact O-N 3.23Å; S452-S455 PolarHBondContact O-OG 3.4Å; D453-S455 PolarHBondContact O-N 2.84Å
456S45.3Very low52Low93 Ų93128.6 Ų128.665%0.6568%0.683SS**SBendtrans-96.2-13.4-177.6-172.40000114.2D453D453-S456 PolarHBondContact O-N 3.13Å; D453-S456 VanDerWaalsContact O-N 3.15Å
457E38.7Very low50.1Low174 Ų174128.4 Ų128.481%0.81369%0.692SS**SBendtrans-91.9-12.8-180-74.7-151.5144.500114.8V459E457-V459 PolarHBondContact O-N 3.5Å
458D41.3Very low47.4Very low151 Ų151126.1 Ų126.181%0.80770%0.702SS**THydrogen-bonded Turntrans-91.816.4-174.7-93.4-22.9000115.5
459V42.7Very low45Very low124 Ų124129.3 Ų129.375%0.75273%0.728SS**THydrogen-bonded Turntrans-99.8-1.8-178.6-179.30000113.9E457E457-V459 PolarHBondContact O-N 3.5Å
460F37.8Very low42.7Very low195 Ų195129.7 Ų129.786%0.85574%0.74SS**SBendtrans-113.711.9-172.8-116.7-86.3000118.4
461L38.9Very low40.7Very low165 Ų165133.2 Ų133.286%0.86475%0.75SS**  trans-137.845.3-179-73.8177.5000116.5
462L39.1Very low39.6Very low181 Ų181138 Ų13895%0.94877%0.769SS**  trans-135.274165.4-77.4174.9000113
463A38.1Very low38Very low88 Ų88144.4 Ų144.473%0.72779%0.792SS**  trans-148.279.315500000109.6
464N33Very low37Very low166 Ų166144.2 Ų144.289%0.88880%0.8SS**  trans176.5134.3140.1-90.5-31.2000113.9
465K32Very low36Very low196 Ų196144.9 Ų144.985%0.85281%0.805SS**  trans94.199.1158.5-76.7-178.6173177.40121.8
466V34Very low35.5Very low141 Ų141146.6 Ų146.686%0.85581%0.814SS**  47.2140.6118.7-1730000120.6
467P45.2Very low34.7Very low121 Ų121150.6 Ų150.679%0.78682%0.823SS**  trans-100147.2-163.837.8-28.1000114.6
468S26Very low34.8Very low124 Ų124149 Ų14987%0.86782%0.824SS**  trans-155.2153.8156.665.80000112.1
469S31.3Very low34.5Very low105 Ų105149.1 Ų149.173%0.73482%0.82SS**  trans-67.8168.4-161.3530000118.8
470T30.3Very low34.3Very low122 Ų122153.1 Ų153.175%0.74883%0.827SS**  trans95.8118.4148.333.80000121.7
471K30.7Very low34.7Very low197 Ų197148.9 Ų148.986%0.85781%0.808SS**  trans80.5117144.2-71.4-178178.8178.10120.3
472K40.4Very low35.2Very low204 Ų204144.3 Ų144.389%0.88779%0.79SS**  trans12.1116.6144.8-80.7-178.2171.5-178.40116.6
473E27.3Very low35.7Very low195 Ų195140.4 Ų140.491%0.91178%0.776SS**  -157.2148.2128.4-111.8165.8-162.200110.1S475E473-S475 PolarHBondContact O-N 3.25Å
474S29.6Very low36.7Very low113 Ų113137.3 Ų137.379%0.7975%0.753SS**PPolyproline II helixtrans-57.9119.3-168.947.20000114.1
475S26.8Very low38.7Very low103 Ų103132.5 Ų132.572%0.7273%0.725SS**PPolyproline II helixtrans-71.1132.2159.644.50000110.2E473 E477E473-S475 PolarHBondContact O-N 3.25Å; S475-E477 PolarHBondContact O-N 3.11Å
476P37Very low41.1Very low121 Ų121124 Ų12479%0.78669%0.687SS**PPolyproline II helixtrans-71.3124.1161.429.8-27.2000107.5V478P476-V478 PolarHBondContact O-N 3.34Å
477E28.5Very low43.7Very low177 Ų177118.6 Ų118.683%0.82765%0.654SS**PPolyproline II helixtrans-55.4121.1171.4-73.9176.4137.700109.3S475 E479S475-E477 PolarHBondContact O-N 3.11Å; E477-E479 PolarHBondContact O-N 3.16Å
478V41.1Very low45.6Very low139 Ų139119.3 Ų119.384%0.84265%0.647SS**  trans-69.389.7160.8176.80000106P476 K480P476-V478 PolarHBondContact O-N 3.34Å; V478-K480 PolarHBondContact O-N 3.27Å
479E34.6Very low48.5Very low155 Ų155117 Ų11772%0.72463%0.627SS**  trans-54.2109.6167-88.5-174.2148.200108.2E477 K481E477-E479 PolarHBondContact O-N 3.16Å; E479-K481 PolarHBondContact O-N 2.93Å
480K38.8Very low51.4Low207 Ų207112 Ų11290%0.959%0.592SS**  trans-6390.3163.4-81.7178.7175.2175.30107.8V478 S482V478-K480 PolarHBondContact O-N 3.27Å; K480-S482 PolarHBondContact O-N 3.21Å
481K45.6Very low54.2Low106 Ų106112.4 Ų112.446%0.46158%0.581SS.*  trans-55.3124.4176.5-74.5169.2158-86.80110.4E479 E485E479-K481 PolarHBondContact O-N 2.93Å; K481-E485 WeakPolarHBondContact CD-OE2 3.47Å; K481-E485 VanDerWaalsContact CG-OE1 3.23Å; K481-E485 WeakPolarHBondContact CG-OE1 3.49Å; K481-E485 IonicContact NZ-OE1 2.65Å; K481-E485 PolarHBondContact NZ-OE1 3.38Å; K481-E485 IonicContact NZ-OE2 2.82Å; K481-E485 PolarHBondContact NZ-OE2 3.39Å
482S49.3Very low57.2Low69 Ų69106.4 Ų106.448%0.48356%0.562SS.*  trans-65.6155.6-176.564.10000111.5K480 G484K480-S482 PolarHBondContact O-N 3.21Å; S482-G484 PolarHBondContact O-N 3.39Å
483P50.8Low59.7Low99 Ų9998.8 Ų98.864%0.64353%0.531SS*.THydrogen-bonded Turntrans-62.74.4176.722.5-31.9000115.3
484G59.1Low62.9Low24 Ų2489.7 Ų89.725%0.24749%0.488CS..THydrogen-bonded Turntrans-87.1-23-17900000115.9S482 W486 N487 E488S482-G484 PolarHBondContact O-N 3.39Å; G484-W486 PolarHBondContact O-N 2.97Å; G484-N487 PolarHBondContact O-N 2.86Å; G484-E488 WeakPolarHBondContact O-CG 3.25Å; G484-E488 PolarHBondContact O-N 2.8Å
485E74.4Confident65.9Low64 Ų6486.6 Ų86.630%0.29947%0.465SS..Hα-helixtrans-60.9-39.2-166.6-68.8-167163.200114.5K481 N487 E488 V489K481-E485 WeakPolarHBondContact CD-OE2 3.47Å; K481-E485 VanDerWaalsContact CG-OE1 3.23Å; K481-E485 WeakPolarHBondContact CG-OE1 3.49Å; K481-E485 IonicContact NZ-OE1 2.65Å; K481-E485 PolarHBondContact NZ-OE1 3.38Å; K481-E485 IonicContact NZ-OE2 2.82Å; K481-E485 PolarHBondContact NZ-OE2 3.39Å; E485-N487 PolarHBondContact O-N 3.3Å; E485-E488 PolarHBondContact O-N 3.31Å; E485-V489 WeakPolarHBondContact O-CG2 3.45Å; E485-V489 PolarHBondContact O-N 2.89Å
486W83.1Confident69.1Low18 Ų1884.6 Ų84.67%0.06845%0.448CS..Hα-helixtrans-66.2-41.4-178.5-73.422.5000111.5A311 R314 S316 L319 L444 D448 G484 L490A311-W486 HydrophobicContact CB-CB 4.18Å; R314-W486 HydrophobicContact CG-CD2 3.84Å; R314-W486 HydrophobicContact CG-CE3 3.96Å; R314-W486 HydrophobicContact CG-CH2 3.83Å; R314-W486 HydrophobicContact CG-CZ2 3.7Å; R314-W486 HydrophobicContact CG-CZ3 3.96Å; S316-W486 WeakPolarHBondContact OG-CH2 3.29Å; L319-W486 HydrophobicContact CD2-CE3 3.99Å; L319-W486 HydrophobicContact CD2-CZ3 3.9Å; L444-W486 HydrophobicContact CD1-CB 4.36Å; L444-W486 HydrophobicContact CD1-CG 4.36Å; L444-W486 HydrophobicContact CD2-CG 4.27Å; D448-W486 HydrophobicContact CB-CH2 4.14Å; D448-W486 HydrophobicContact CB-CZ2 3.8Å; D448-W486 WeakPolarHBondContact OD1-CZ2 3.31Å; G484-W486 PolarHBondContact O-N 2.97Å; W486-L490 WeakPolarHBondContact O-CB 3.18Å; W486-L490 WeakPolarHBondContact O-CG 3.16Å; W486-L490 PolarHBondContact O-N 2.78Å; W486-L490 VanDerWaalsContact O-N 3.09Å
487N86.6Confident71.8Confident27 Ų2778.9 Ų78.914%0.14441%0.411CS..Hα-helixtrans-73-36.4178.8-179.763.9000111.5S308 A311 K312 G484 E485 V489 L490 Y491S308-N487 PolarHBondContact OG-OD1 3.4Å; A311-N487 HydrophobicContact CB-CB 4.35Å; K312-N487 WeakPolarHBondContact CE-ND2 3.47Å; K312-N487 HydrophobicContact CG-CB 3.66Å; G484-N487 PolarHBondContact O-N 2.86Å; E485-N487 PolarHBondContact O-N 3.3Å; N487-V489 VanDerWaalsContact C-N 3.28Å; N487-V489 PolarHBondContact O-N 3.25Å; N487-L490 PolarHBondContact O-N 2.9Å; N487-Y491 WeakPolarHBondContact O-CB 3.33Å; N487-Y491 PolarHBondContact O-N 3.29Å
488E85.6Confident75Confident137 Ų13772.3 Ų72.364%0.6438%0.383SS*.Hα-helixtrans-60.7-37.1176.5-75179.2-178.600112.7G484 E485 P492G484-E488 WeakPolarHBondContact O-CG 3.25Å; G484-E488 PolarHBondContact O-N 2.8Å; E485-E488 PolarHBondContact O-N 3.31Å; E488-P492 VanDerWaalsContact O-CD 3.27Å; E488-P492 WeakPolarHBondContact O-CD 3.3Å
489V88Confident77.5Confident76 Ų7671.5 Ų71.546%0.46137%0.37SS..Hα-helixtrans-78.3-39177.5178.80000112.1T440 E485 N487T440-V489 HydrophobicContact CG2-CG1 3.59Å; E485-V489 WeakPolarHBondContact O-CG2 3.45Å; E485-V489 PolarHBondContact O-N 2.89Å; N487-V489 VanDerWaalsContact C-N 3.28Å; N487-V489 PolarHBondContact O-N 3.25Å
490L90.9Very high80.3Confident0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-81.1-35.6-176.2-74.4169.9000113.5A311 L319 T440 V441 L444 W486 N487 L493 L494A311-L490 HydrophobicContact CB-CD1 3.66Å; L319-L490 HydrophobicContact CD1-CD1 4.18Å; T440-L490 HydrophobicContact CG2-CD2 3.8Å; V441-L490 HydrophobicContact CG2-CD1 4.17Å; V441-L490 HydrophobicContact CG2-CD2 3.61Å; L444-L490 HydrophobicContact CD1-CD1 3.67Å; L444-L490 HydrophobicContact CD1-CD2 4.22Å; L444-L490 HydrophobicContact CD1-CG 3.76Å; W486-L490 WeakPolarHBondContact O-CB 3.18Å; W486-L490 WeakPolarHBondContact O-CG 3.16Å; W486-L490 PolarHBondContact O-N 2.78Å; W486-L490 VanDerWaalsContact O-N 3.09Å; N487-L490 PolarHBondContact O-N 2.9Å; L490-L493 PolarHBondContact O-N 2.8Å; L490-L494 HydrophobicContact CB-CD1 4.2Å; L490-L494 HydrophobicContact CB-CG 4.48Å; L490-L494 VanDerWaalsContact O-CG 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.17Å; L490-L494 PolarHBondContact O-N 2.96Å
491Y90.3Very high82.9Confident130 Ų13055.4 Ų55.451%0.5130%0.301SS..Hα-helixtrans-56.1-43.7-171.1-177.6-92.9000113.9N487 L493 L494 T495N487-Y491 WeakPolarHBondContact O-CB 3.33Å; N487-Y491 PolarHBondContact O-N 3.29Å; Y491-L493 PolarHBondContact O-N 2.94Å; Y491-L494 PolarHBondContact O-N 2.84Å; Y491-T495 WeakPolarHBondContact O-CB 3.37Å; Y491-T495 PolarHBondContact O-N 2.8Å; Y491-T495 PolarHBondContact O-OG1 2.74Å
492P93.6Very high85.2Confident70 Ų7051.8 Ų51.846%0.45529%0.288SS..Hα-helixtrans-61-43175.4-23.134.6000112.7E488 T495 T496E488-P492 VanDerWaalsContact O-CD 3.27Å; E488-P492 WeakPolarHBondContact O-CD 3.3Å; P492-T495 WeakPolarHBondContact O-CB 3.33Å; P492-T495 PolarHBondContact O-N 3.06Å; P492-T496 PolarHBondContact O-N 3.27Å; P492-T496 PolarHBondContact O-OG1 3.22Å; P492-T496 VanDerWaalsContact O-OG1 3.06Å
493L93.6Very high87.2Confident44 Ų4453.4 Ų53.423%0.2329%0.291CS..Hα-helixtrans-66.5-41179.9-61176.1000111.9C436 V437 T440 L490 Y491 T495 T496 L497C436-L493 HydrophobicContact CB-CD2 4.29Å; V437-L493 HydrophobicContact CG2-CB 3.82Å; T440-L493 HydrophobicContact CG2-CD1 3.86Å; T440-L493 WeakPolarHBondContact OG1-CD1 3.3Å; L490-L493 PolarHBondContact O-N 2.8Å; Y491-L493 PolarHBondContact O-N 2.94Å; L493-T495 VanDerWaalsContact C-N 3.3Å; L493-T495 PolarHBondContact O-N 3.01Å; L493-T496 PolarHBondContact O-N 3.15Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 PolarHBondContact O-N 2.78Å
494L93.1Very high89.2Confident5 Ų548.7 Ų48.73%0.02626%0.26CS..Hα-helixtrans-64.9-36.1175.8-67.5179.8000111.9T304 L307 V437 L490 Y491 T498T304-L494 HydrophobicContact CG2-CB 3.56Å; T304-L494 HydrophobicContact CG2-CD1 4.48Å; T304-L494 HydrophobicContact CG2-CD2 3.89Å; T304-L494 HydrophobicContact CG2-CG 4.14Å; L307-L494 HydrophobicContact CD2-CD2 3.75Å; L307-L494 HydrophobicContact CG-CD2 4.5Å; V437-L494 HydrophobicContact CG1-CD2 3.85Å; V437-L494 HydrophobicContact CG2-CD2 4.11Å; L490-L494 HydrophobicContact CB-CD1 4.2Å; L490-L494 HydrophobicContact CB-CG 4.48Å; L490-L494 VanDerWaalsContact O-CG 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.17Å; L490-L494 PolarHBondContact O-N 2.96Å; Y491-L494 PolarHBondContact O-N 2.84Å; L494-T498 WeakPolarHBondContact O-CB 3.26Å; L494-T498 PolarHBondContact O-N 3.49Å; L494-T498 PolarHBondContact O-OG1 2.85Å
495T92.9Very high90.8Very high47 Ų4747.6 Ų47.629%0.28825%0.249SC..Hα-helixtrans-65.7-50173.6-54.30000110.1Y491 P492 L493 L497 T498 E499Y491-T495 WeakPolarHBondContact O-CB 3.37Å; Y491-T495 PolarHBondContact O-N 2.8Å; Y491-T495 PolarHBondContact O-OG1 2.74Å; P492-T495 WeakPolarHBondContact O-CB 3.33Å; P492-T495 PolarHBondContact O-N 3.06Å; L493-T495 VanDerWaalsContact C-N 3.3Å; L493-T495 PolarHBondContact O-N 3.01Å; T495-L497 VanDerWaalsContact C-N 3.33Å; T495-L497 PolarHBondContact O-N 3.46Å; T495-T498 WeakPolarHBondContact O-CB 3.2Å; T495-T498 PolarHBondContact O-N 2.85Å; T495-T498 VanDerWaalsContact O-N 3.11Å; T495-E499 WeakPolarHBondContact O-CG 3.44Å; T495-E499 PolarHBondContact O-N 3.49Å
496T94.6Very high91.6Very high62 Ų6247.8 Ų47.838%0.3825%0.252SS..Hα-helixtrans-57.6-42.9175.9-56.10000112.2P492 L493 T498 E499 C500P492-T496 PolarHBondContact O-N 3.27Å; P492-T496 PolarHBondContact O-OG1 3.22Å; P492-T496 VanDerWaalsContact O-OG1 3.06Å; L493-T496 PolarHBondContact O-N 3.15Å; T496-T498 VanDerWaalsContact C-N 3.33Å; T496-T498 PolarHBondContact O-N 3.34Å; T496-E499 PolarHBondContact O-N 2.98Å; T496-C500 PolarHBondContact O-N 3.16Å; T496-C500 PolarHBondContact O-SG 3.16Å
497L94Very high92Very high0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-60.4-45.1176.7177.761.6000111.2L326 T330 V430 S433 L434 V437 L493 T495 E499 C500 V501L326-L497 HydrophobicContact CD1-CD2 4.43Å; L326-L497 HydrophobicContact CD2-CD2 4.07Å; L326-L497 HydrophobicContact CG-CD2 4.42Å; T330-L497 HydrophobicContact CG2-CD1 4.26Å; V430-L497 HydrophobicContact CG1-CD1 4.31Å; S433-L497 WeakPolarHBondContact OG-CA 3.49Å; S433-L497 WeakPolarHBondContact OG-CB 3.17Å; S433-L497 PolarHBondContact OG-N 2.71Å; L434-L497 HydrophobicContact CB-CD1 4.2Å; L434-L497 HydrophobicContact CD1-CD2 4.24Å; V437-L497 HydrophobicContact CG2-CD2 4.38Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 PolarHBondContact O-N 2.78Å; T495-L497 VanDerWaalsContact C-N 3.33Å; T495-L497 PolarHBondContact O-N 3.46Å; L497-E499 VanDerWaalsContact C-N 3.32Å; L497-E499 PolarHBondContact O-N 2.81Å; L497-C500 PolarHBondContact O-N 2.79Å; L497-V501 HydrophobicContact CD1-CG2 4.09Å; L497-V501 HydrophobicContact CG-CG2 4.45Å; L497-V501 WeakPolarHBondContact O-CB 3.27Å; L497-V501 WeakPolarHBondContact O-CG2 3.26Å; L497-V501 PolarHBondContact O-N 3.21Å
498T94.1Very high92.2Very high39 Ų3948.5 Ų48.524%0.23926%0.255CS..Hα-helixtrans-63.1-39.6178.6-55.80000111.7T304 L494 T495 T496 S502T304-T498 WeakPolarHBondContact CG2-OG1 3.33Å; L494-T498 WeakPolarHBondContact O-CB 3.26Å; L494-T498 PolarHBondContact O-N 3.49Å; L494-T498 PolarHBondContact O-OG1 2.85Å; T495-T498 WeakPolarHBondContact O-CB 3.2Å; T495-T498 PolarHBondContact O-N 2.85Å; T495-T498 VanDerWaalsContact O-N 3.11Å; T496-T498 VanDerWaalsContact C-N 3.33Å; T496-T498 PolarHBondContact O-N 3.34Å; T498-S502 VanDerWaalsContact O-CB 3.26Å; T498-S502 WeakPolarHBondContact O-CB 3.37Å; T498-S502 PolarHBondContact O-N 2.91Å; T498-S502 PolarHBondContact O-OG 3.26Å
499E94.1Very high92.5Very high122 Ų12243.9 Ų43.957%0.5723%0.232SC*.Hα-helixtrans-65.9-47.1175.4-72.1173.9176.800111.8T495 T496 L497 V501 S502 L503T495-E499 WeakPolarHBondContact O-CG 3.44Å; T495-E499 PolarHBondContact O-N 3.49Å; T496-E499 PolarHBondContact O-N 2.98Å; L497-E499 VanDerWaalsContact C-N 3.32Å; L497-E499 PolarHBondContact O-N 2.81Å; E499-V501 PolarHBondContact O-N 3.43Å; E499-S502 PolarHBondContact O-N 3.48Å; E499-L503 WeakPolarHBondContact O-CB 3.4Å; E499-L503 PolarHBondContact O-N 3.02Å
500C93.8Very high92.7Very high25 Ų2543.6 Ų43.617%0.16923%0.225CC..Hα-helixtrans-60.8-45.3176.7-68.60000111.7V430 T496 L497 S502 L503 M504V430-C500 HydrophobicContact CG2-CB 3.88Å; T496-C500 PolarHBondContact O-N 3.16Å; T496-C500 PolarHBondContact O-SG 3.16Å; L497-C500 PolarHBondContact O-N 2.79Å; C500-S502 VanDerWaalsContact C-N 3.33Å; C500-S502 PolarHBondContact O-N 3.24Å; C500-L503 PolarHBondContact O-N 3.45Å; C500-M504 WeakPolarHBondContact O-CB 3.27Å; C500-M504 PolarHBondContact O-N 3.32Å
501V93.8Very high92.8Very high0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-62.4-41176.8164.60000111.2K297 V300 L333 V430 L497 E499 S505K297-V501 HydrophobicContact CG-CG1 4.24Å; V300-V501 HydrophobicContact CB-CG1 4.49Å; V300-V501 HydrophobicContact CG1-CG1 4.16Å; V300-V501 HydrophobicContact CG1-CG2 4.02Å; L333-V501 HydrophobicContact CD2-CG1 3.65Å; L333-V501 HydrophobicContact CD2-CG2 4.42Å; V430-V501 HydrophobicContact CG1-CG2 3.77Å; V430-V501 HydrophobicContact CG2-CG2 4.38Å; L497-V501 HydrophobicContact CD1-CG2 4.09Å; L497-V501 HydrophobicContact CG-CG2 4.45Å; L497-V501 WeakPolarHBondContact O-CB 3.27Å; L497-V501 WeakPolarHBondContact O-CG2 3.26Å; L497-V501 PolarHBondContact O-N 3.21Å; E499-V501 PolarHBondContact O-N 3.43Å; V501-S505 VanDerWaalsContact O-CB 3.31Å; V501-S505 WeakPolarHBondContact O-CB 3.4Å; V501-S505 PolarHBondContact O-N 2.82Å; V501-S505 PolarHBondContact O-OG 3.43Å
502S93.4Very high92.8Very high29 Ų2937.5 Ų37.520%0.20320%0.201CC..Hα-helixtrans-65.7-46.9177-63.90000111.5T498 E499 C500 M504 S505 D506T498-S502 VanDerWaalsContact O-CB 3.26Å; T498-S502 WeakPolarHBondContact O-CB 3.37Å; T498-S502 PolarHBondContact O-N 2.91Å; T498-S502 PolarHBondContact O-OG 3.26Å; E499-S502 PolarHBondContact O-N 3.48Å; C500-S502 VanDerWaalsContact C-N 3.33Å; C500-S502 PolarHBondContact O-N 3.24Å; S502-M504 PolarHBondContact O-N 3.38Å; S502-S505 PolarHBondContact O-N 3.06Å; S502-D506 WeakPolarHBondContact O-CB 3.41Å; S502-D506 PolarHBondContact O-N 3.27Å
503L92.2Very high92.8Very high103 Ų10334.6 Ų34.654%0.53918%0.182SC..Hα-helixtrans-58.8-46.8177.3-17968.3000112.1E499 C500 D506 K507E499-L503 WeakPolarHBondContact O-CB 3.4Å; E499-L503 PolarHBondContact O-N 3.02Å; C500-L503 PolarHBondContact O-N 3.45Å; L503-D506 PolarHBondContact O-N 3.44Å; L503-K507 WeakPolarHBondContact O-CB 3.37Å; L503-K507 PolarHBondContact O-N 3.12Å
504M92.3Very high92.6Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-60.9-48.9177.5-179-17863.200111.1L333 V334 C337 W423 V426 W427 V430 C500 S502 D506 K507 A508L333-M504 HydrophobicContact CD1-CE 4.37Å; L333-M504 HydrophobicContact CD2-CE 3.41Å; L333-M504 VanDerWaalsContact CD2-CE 3.41Å; L333-M504 HydrophobicContact CG-CE 3.48Å; L333-M504 VanDerWaalsContact CG-CE 3.48Å; V334-M504 HydrophobicContact CG2-CE 4.43Å; V334-M504 HydrophobicContact CG2-SD 4.47Å; C337-M504 HydrophobicContact CB-SD 4.16Å; W423-M504 HydrophobicContact CH2-CG 3.61Å; W423-M504 HydrophobicContact CZ3-CG 3.98Å; V426-M504 HydrophobicContact CG1-CB 3.83Å; V426-M504 HydrophobicContact CG1-CG 4.2Å; W427-M504 HydrophobicContact CB-CG 4.38Å; W427-M504 HydrophobicContact CB-SD 3.44Å; W427-M504 WeakPolarHBondContact CB-SD 3.48Å; V430-M504 HydrophobicContact CG1-CE 4.5Å; V430-M504 HydrophobicContact CG2-CB 4.16Å; V430-M504 HydrophobicContact CG2-CE 4.01Å; V430-M504 HydrophobicContact CG2-SD 3.94Å; C500-M504 WeakPolarHBondContact O-CB 3.27Å; C500-M504 PolarHBondContact O-N 3.32Å; S502-M504 PolarHBondContact O-N 3.38Å; M504-D506 VanDerWaalsContact C-N 3.34Å; M504-D506 PolarHBondContact O-N 2.65Å; M504-K507 PolarHBondContact O-N 2.91Å; M504-A508 WeakPolarHBondContact O-CB 3.41Å; M504-A508 PolarHBondContact O-N 3.38Å
505S92.4Very high92.5Very high1 Ų132.4 Ų32.41%0.00717%0.171CC..Hα-helixtrans-62.4-41.3-179.9-58.40000111.8V501 S502 A508 K509V501-S505 VanDerWaalsContact O-CB 3.31Å; V501-S505 WeakPolarHBondContact O-CB 3.4Å; V501-S505 PolarHBondContact O-N 2.82Å; V501-S505 PolarHBondContact O-OG 3.43Å; S502-S505 PolarHBondContact O-N 3.06Å; S505-A508 PolarHBondContact O-N 3.48Å; S505-K509 WeakPolarHBondContact O-CB 3.46Å; S505-K509 PolarHBondContact O-N 2.82Å
506D91.5Very high92.3Very high69 Ų6931.7 Ų31.737%0.36917%0.165SC..Hα-helixtrans-70.7-40.9-178.6-66.1-4.1000111K297 S502 L503 M504 K509 K510K297-D506 IonicContact NZ-OD1 3.1Å; K297-D506 PolarHBondContact NZ-OD1 3.12Å; S502-D506 WeakPolarHBondContact O-CB 3.41Å; S502-D506 PolarHBondContact O-N 3.27Å; L503-D506 PolarHBondContact O-N 3.44Å; M504-D506 VanDerWaalsContact C-N 3.34Å; M504-D506 PolarHBondContact O-N 2.65Å; D506-K509 PolarHBondContact O-N 3.32Å; D506-K510 WeakPolarHBondContact O-CB 3.48Å; D506-K510 VanDerWaalsContact O-CG 3.24Å; D506-K510 WeakPolarHBondContact O-CG 3.43Å; D506-K510 PolarHBondContact O-N 2.91Å
507K91.1Very high92Very high60 Ų6028.9 Ų28.926%0.26115%0.147SC..Hα-helixtrans-62.7-44.2173.9-172.2171.4177.4-179.10110.9W423 V426 L503 M504 A511W423-K507 HydrophobicContact CE3-CD 3.92Å; W423-K507 HydrophobicContact CE3-CG 4.31Å; W423-K507 HydrophobicContact CZ3-CB 4.18Å; W423-K507 HydrophobicContact CZ3-CD 4.15Å; W423-K507 HydrophobicContact CZ3-CG 4.2Å; V426-K507 HydrophobicContact CG2-CD 4.19Å; L503-K507 WeakPolarHBondContact O-CB 3.37Å; L503-K507 PolarHBondContact O-N 3.12Å; M504-K507 PolarHBondContact O-N 2.91Å; K507-A511 PolarHBondContact O-N 3.22Å
508A91.8Very high91.5Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-63.7-47.9177.500000112.2I293 L342 W423 M504 S505 K510 A511 L512I293-A508 HydrophobicContact CD1-CB 3.9Å; L342-A508 HydrophobicContact CD1-CB 3.97Å; L342-A508 HydrophobicContact CD2-CB 3.65Å; L342-A508 HydrophobicContact CG-CB 4.4Å; W423-A508 HydrophobicContact CH2-CB 3.92Å; M504-A508 WeakPolarHBondContact O-CB 3.41Å; M504-A508 PolarHBondContact O-N 3.38Å; S505-A508 PolarHBondContact O-N 3.48Å; A508-K510 PolarHBondContact O-N 3.32Å; A508-A511 PolarHBondContact O-N 3.44Å; A508-L512 WeakPolarHBondContact O-CG 3.46Å; A508-L512 PolarHBondContact O-N 3.31Å
509K91.9Very high91Very high40 Ų4029.9 Ų29.917%0.17415%0.15CC..Hα-helixtrans-59.6-47.4179.2-173-177.8178.9-169.70111.1E149 S505 D506 A511 L512 V513E149-K509 WeakPolarHBondContact OE1-CE 3.4Å; E149-K509 IonicContact OE1-NZ 2.89Å; E149-K509 PolarHBondContact OE1-NZ 3.03Å; S505-K509 WeakPolarHBondContact O-CB 3.46Å; S505-K509 PolarHBondContact O-N 2.82Å; D506-K509 PolarHBondContact O-N 3.32Å; K509-A511 VanDerWaalsContact C-N 3.32Å; K509-A511 PolarHBondContact O-N 3.4Å; K509-L512 PolarHBondContact O-N 2.9Å; K509-V513 HydrophobicContact CG-CG2 4.23Å; K509-V513 WeakPolarHBondContact O-CB 3.43Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.41Å; K509-V513 PolarHBondContact O-N 3.17Å
510K92Very high90.3Very high70 Ų7025.2 Ų25.230%0.30413%0.131SC..Hα-helixtrans-59.5-41.8177.9-72.5177.8-170-1550112.2E152 L153 L349 D506 A508 V513 F514E152-K510 WeakPolarHBondContact O-CD 3.3Å; E152-K510 WeakPolarHBondContact O-CE 3.46Å; E152-K510 PolarHBondContact O-NZ 3.18Å; L153-K510 HydrophobicContact CD2-CB 4.12Å; L153-K510 WeakPolarHBondContact CD2-O 3.28Å; L349-K510 HydrophobicContact CD2-CB 3.97Å; D506-K510 WeakPolarHBondContact O-CB 3.48Å; D506-K510 VanDerWaalsContact O-CG 3.24Å; D506-K510 WeakPolarHBondContact O-CG 3.43Å; D506-K510 PolarHBondContact O-N 2.91Å; A508-K510 PolarHBondContact O-N 3.32Å; K510-V513 PolarHBondContact O-N 3.28Å; K510-F514 WeakPolarHBondContact O-CB 3.44Å; K510-F514 PolarHBondContact O-N 3.14Å
511A91.5Very high89.7Confident1 Ų124.7 Ų24.71%0.00813%0.128CC..Hα-helixtrans-62.3-45.9176.700000112.3L342 A345 I346 L349 K507 A508 K509 F514 L515L342-A511 HydrophobicContact CD1-CB 4.17Å; A345-A511 HydrophobicContact CB-CB 4.02Å; I346-A511 HydrophobicContact CB-CB 4.31Å; I346-A511 HydrophobicContact CG1-CB 3.47Å; I346-A511 VanDerWaalsContact CG1-CB 3.47Å; L349-A511 HydrophobicContact CD2-CB 4.37Å; K507-A511 PolarHBondContact O-N 3.22Å; A508-A511 PolarHBondContact O-N 3.44Å; K509-A511 VanDerWaalsContact C-N 3.32Å; K509-A511 PolarHBondContact O-N 3.4Å; A511-F514 WeakPolarHBondContact O-CB 3.31Å; A511-F514 PolarHBondContact O-N 2.86Å; A511-L515 PolarHBondContact O-N 3.01Å
512L92.2Very high89.1Confident0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-69.1-37.6178.2-63.8173.2000112.3A286 L289 I290 I293 L342 A345 A508 K509 F514 L515 L516A286-L512 HydrophobicContact CB-CD2 4.03Å; L289-L512 HydrophobicContact CB-CD1 3.77Å; I290-L512 HydrophobicContact CD1-CB 3.75Å; I290-L512 HydrophobicContact CG1-CB 3.75Å; I290-L512 HydrophobicContact CG1-CD1 3.68Å; I290-L512 HydrophobicContact CG1-CG 4.37Å; I293-L512 HydrophobicContact CD1-CD1 4.32Å; L342-L512 HydrophobicContact CD1-CD1 4.08Å; L342-L512 HydrophobicContact CD1-CD2 3.9Å; L342-L512 HydrophobicContact CD1-CG 3.69Å; A345-L512 HydrophobicContact CB-CD2 4.4Å; A508-L512 WeakPolarHBondContact O-CG 3.46Å; A508-L512 PolarHBondContact O-N 3.31Å; K509-L512 PolarHBondContact O-N 2.9Å; L512-F514 VanDerWaalsContact C-N 3.32Å; L512-F514 PolarHBondContact O-N 3.44Å; L512-L515 WeakPolarHBondContact O-CB 3.44Å; L512-L515 PolarHBondContact O-N 3.39Å; L512-L516 WeakPolarHBondContact O-CG 3.5Å; L512-L516 PolarHBondContact O-N 3.23Å
513V91.7Very high88.8Confident10 Ų1027.6 Ų27.66%0.06115%0.147CC..Hα-helixtrans-62.6-40.9173.4170.50000110.6E149 L150 L153 I290 K509 K510 L515 L516 M517E149-V513 HydrophobicContact CB-CG1 4.33Å; E149-V513 HydrophobicContact CB-CG2 4.38Å; L150-V513 HydrophobicContact CD2-CG1 4.15Å; L153-V513 HydrophobicContact CD1-CG1 4.32Å; L153-V513 HydrophobicContact CD2-CB 4.13Å; L153-V513 HydrophobicContact CD2-CG1 3.97Å; L153-V513 HydrophobicContact CG-CG1 4.28Å; I290-V513 HydrophobicContact CD1-CG2 4.35Å; K509-V513 HydrophobicContact CG-CG2 4.23Å; K509-V513 WeakPolarHBondContact O-CB 3.43Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.41Å; K509-V513 PolarHBondContact O-N 3.17Å; K510-V513 PolarHBondContact O-N 3.28Å; V513-L515 VanDerWaalsContact C-N 3.33Å; V513-L515 PolarHBondContact O-N 2.92Å; V513-L516 PolarHBondContact O-N 3.39Å; V513-M517 WeakPolarHBondContact O-CB 3.48Å; V513-M517 PolarHBondContact O-N 3.42Å
514F91.4Very high88.6Confident2 Ų223 Ų231%0.00912%0.123CC..Hα-helixtrans-63.4-36.8175.3179.2-110.9000112.9L153 L156 R160 A348 L349 A352 K510 A511 L512 M517 Q518L153-F514 HydrophobicContact CD1-CD2 4.45Å; L153-F514 HydrophobicContact CD2-CB 4.06Å; L156-F514 HydrophobicContact CD2-CD2 4.38Å; L156-F514 HydrophobicContact CD2-CE2 4.22Å; R160-F514 HydrophobicContact CB-CE2 4.48Å; R160-F514 HydrophobicContact CG-CE2 4.44Å; R160-F514 HydrophobicContact CG-CZ 4.41Å; A348-F514 HydrophobicContact CB-CE1 4.28Å; A348-F514 WeakPolarHBondContact O-CE1 3.48Å; L349-F514 HydrophobicContact CB-CB 4.39Å; L349-F514 HydrophobicContact CB-CD1 3.8Å; L349-F514 HydrophobicContact CB-CE1 4.4Å; L349-F514 HydrophobicContact CB-CG 4.22Å; L349-F514 HydrophobicContact CD1-CB 3.9Å; L349-F514 HydrophobicContact CD1-CD1 4.05Å; L349-F514 HydrophobicContact CD1-CD2 3.93Å; L349-F514 HydrophobicContact CD1-CG 3.69Å; L349-F514 HydrophobicContact CG-CG 4.5Å; A352-F514 HydrophobicContact CB-CE1 3.87Å; A352-F514 HydrophobicContact CB-CE2 3.88Å; A352-F514 HydrophobicContact CB-CZ 3.28Å; K510-F514 WeakPolarHBondContact O-CB 3.44Å; K510-F514 PolarHBondContact O-N 3.14Å; A511-F514 WeakPolarHBondContact O-CB 3.31Å; A511-F514 PolarHBondContact O-N 2.86Å; L512-F514 VanDerWaalsContact C-N 3.32Å; L512-F514 PolarHBondContact O-N 3.44Å; F514-M517 HydrophobicContact CD2-CE 3.6Å; F514-M517 HydrophobicContact CE2-CE 3.62Å; F514-Q518 HydrophobicContact CZ-CG 4.43Å; F514-Q518 VanDerWaalsContact CZ-NE2 3.34Å; F514-Q518 WeakPolarHBondContact O-CG 3.3Å; F514-Q518 PolarHBondContact O-N 2.93Å; F514-Q518 PolarHBondContact O-NE2 3.45Å
515L89.5Confident88.5Confident0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-62.1-50.6171.2-178.5165.7000110.8Y278 A286 L341 A345 A511 L512 V513 M517 Q518 D519Y278-L515 HydrophobicContact CD1-CD1 3.45Å; Y278-L515 VanDerWaalsContact CD1-CD1 3.45Å; Y278-L515 HydrophobicContact CD1-CG 3.89Å; Y278-L515 HydrophobicContact CD2-CD1 4.28Å; Y278-L515 HydrophobicContact CD2-CG 3.81Å; Y278-L515 HydrophobicContact CE1-CD1 3.29Å; Y278-L515 HydrophobicContact CE1-CG 3.9Å; Y278-L515 HydrophobicContact CE2-CB 4.47Å; Y278-L515 HydrophobicContact CE2-CD1 4.16Å; Y278-L515 HydrophobicContact CE2-CG 3.83Å; Y278-L515 HydrophobicContact CG-CD1 3.94Å; Y278-L515 HydrophobicContact CG-CD2 4.29Å; Y278-L515 HydrophobicContact CG-CG 3.84Å; A286-L515 HydrophobicContact CB-CD2 4.27Å; L341-L515 HydrophobicContact CD1-CD1 3.78Å; L341-L515 HydrophobicContact CG-CD1 4.29Å; A345-L515 HydrophobicContact CB-CB 4.44Å; A345-L515 HydrophobicContact CB-CD1 4.16Å; A511-L515 PolarHBondContact O-N 3.01Å; L512-L515 WeakPolarHBondContact O-CB 3.44Å; L512-L515 PolarHBondContact O-N 3.39Å; V513-L515 VanDerWaalsContact C-N 3.33Å; V513-L515 PolarHBondContact O-N 2.92Å; L515-M517 VanDerWaalsContact C-N 3.28Å; L515-M517 PolarHBondContact O-N 2.75Å; L515-Q518 WeakPolarHBondContact O-CB 3.37Å; L515-Q518 PolarHBondContact O-N 2.99Å; L515-Q518 VanDerWaalsContact O-N 3.11Å; L515-D519 PolarHBondContact O-N 3.36Å; L515-D519 VanDerWaalsContact O-N 3.13Å
516L88.2Confident88.2Confident33 Ų3328.7 Ų28.717%0.17316%0.158CC..Hα-helixtrans-63.2-33.4179.9-66.9175.6000112.8V283 A286 K287 I290 L512 V513 Q518 D519 S520V283-L516 HydrophobicContact CG1-CD2 3.74Å; A286-L516 HydrophobicContact CB-CD2 4.15Å; A286-L516 HydrophobicContact CB-CG 4.42Å; K287-L516 HydrophobicContact CG-CD1 4.09Å; K287-L516 HydrophobicContact CG-CD2 4.13Å; I290-L516 HydrophobicContact CD1-CD1 3.76Å; L512-L516 WeakPolarHBondContact O-CG 3.5Å; L512-L516 PolarHBondContact O-N 3.23Å; V513-L516 PolarHBondContact O-N 3.39Å; L516-Q518 VanDerWaalsContact C-N 3.35Å; L516-D519 PolarHBondContact O-N 3.48Å; L516-S520 WeakPolarHBondContact O-CB 3.41Å; L516-S520 PolarHBondContact O-N 3.25Å; L516-S520 PolarHBondContact O-OG 3.42Å
517M89.6Confident88.2Confident2 Ų226.3 Ų26.31%0.0115%0.146CC..Hα-helixtrans-62.6-42173.9-174.4-171.276.100111.4L150 L153 L156 L163 R164 I167 V513 F514 L515 S520 A521L150-M517 HydrophobicContact CD2-CB 3.96Å; L150-M517 HydrophobicContact CD2-CG 3.83Å; L150-M517 HydrophobicContact CD2-SD 4.03Å; L153-M517 HydrophobicContact CD1-SD 3.85Å; L156-M517 HydrophobicContact CD1-CE 4.26Å; L163-M517 HydrophobicContact CD2-CE 4.46Å; R164-M517 HydrophobicContact CB-SD 3.68Å; R164-M517 HydrophobicContact CG-SD 4.09Å; I167-M517 HydrophobicContact CD1-CB 4.46Å; I167-M517 HydrophobicContact CD1-CG 3.44Å; I167-M517 VanDerWaalsContact CD1-CG 3.44Å; I167-M517 WeakPolarHBondContact CD1-O 3.5Å; V513-M517 WeakPolarHBondContact O-CB 3.48Å; V513-M517 PolarHBondContact O-N 3.42Å; F514-M517 HydrophobicContact CD2-CE 3.6Å; F514-M517 HydrophobicContact CE2-CE 3.62Å; L515-M517 VanDerWaalsContact C-N 3.28Å; L515-M517 PolarHBondContact O-N 2.75Å; M517-S520 PolarHBondContact O-OG 3.4Å; M517-A521 PolarHBondContact O-N 3Å
518Q83.6Confident88.2Confident33 Ų3324 Ų2415%0.15414%0.137CC..Hα-helixtrans-67.4-41.6178.6-72.4175.178.600112.1F514 L515 L516F514-Q518 HydrophobicContact CZ-CG 4.43Å; F514-Q518 VanDerWaalsContact CZ-NE2 3.34Å; F514-Q518 WeakPolarHBondContact O-CG 3.3Å; F514-Q518 PolarHBondContact O-N 2.93Å; F514-Q518 PolarHBondContact O-NE2 3.45Å; L515-Q518 WeakPolarHBondContact O-CB 3.37Å; L515-Q518 PolarHBondContact O-N 2.99Å; L515-Q518 VanDerWaalsContact O-N 3.11Å; L516-Q518 VanDerWaalsContact C-N 3.35Å
519D82.9Confident88.2Confident27 Ų2728 Ų2814%0.14416%0.161CC..Hα-helixtrans-65.3-41.7178.9-179.572.1000113Y263 V283 L515 L516 P522Y263-D519 PolarHBondContact OH-OD1 3.04Å; V283-D519 HydrophobicContact CG2-CB 4.03Å; V283-D519 WeakPolarHBondContact CG2-OD1 3.27Å; V283-D519 WeakPolarHBondContact CG2-OD2 3.41Å; L515-D519 PolarHBondContact O-N 3.36Å; L515-D519 VanDerWaalsContact O-N 3.13Å; L516-D519 PolarHBondContact O-N 3.48Å; D519-P522 WeakPolarHBondContact O-CD 3.28Å
520S79.3Confident88.2Confident25 Ų2526.7 Ų26.718%0.17516%0.156CC..Hα-helixtrans-78-26.3-17455.50000113.7L516 M517 T523 I524L516-S520 WeakPolarHBondContact O-CB 3.41Å; L516-S520 PolarHBondContact O-N 3.25Å; L516-S520 PolarHBondContact O-OG 3.42Å; M517-S520 PolarHBondContact O-OG 3.4Å; S520-T523 CarbonylContact O-C 3.58Å; S520-T523 PolarHBondContact O-N 3.06Å; S520-T523 VanDerWaalsContact O-N 3.14Å; S520-I524 WeakPolarHBondContact O-CA 3.33Å; S520-I524 WeakPolarHBondContact O-CB 3.35Å; S520-I524 PolarHBondContact O-N 3.24Å
521A81.5Confident88.3Confident13 Ų1326 Ų2611%0.10715%0.154CC..G310 helixtrans-41.5-57.1-176.700000116.7L163 I167 M517 T523 I524L163-A521 HydrophobicContact CD1-CB 3.2Å; L163-A521 HydrophobicContact CD2-CB 3.74Å; L163-A521 HydrophobicContact CG-CB 3.84Å; I167-A521 HydrophobicContact CD1-CB 4.23Å; M517-A521 PolarHBondContact O-N 3Å; A521-T523 PolarHBondContact O-N 2.91Å; A521-I524 WeakPolarHBondContact O-CG2 3.44Å
522P81.9Confident88.6Confident80 Ų8026.9 Ų26.952%0.51916%0.157SC..G310 helixtrans-67.3-25.4-17425.3-35000113T262 D519T262-P522 HydrophobicContact CG2-CB 4.14Å; T262-P522 HydrophobicContact CG2-CG 3.96Å; D519-P522 WeakPolarHBondContact O-CD 3.28Å
523T85.7Confident88.8Confident11 Ų1127.4 Ų27.47%0.06716%0.159CC..G310 helixtrans-119.110.3-172.464.10000113.6R259 S520 A521 A525 M526 S527R259-T523 HydrophobicContact CG-CG2 4.07Å; S520-T523 CarbonylContact O-C 3.58Å; S520-T523 PolarHBondContact O-N 3.06Å; S520-T523 VanDerWaalsContact O-N 3.14Å; A521-T523 PolarHBondContact O-N 2.91Å; T523-A525 PolarHBondContact O-N 2.78Å; T523-M526 PolarHBondContact O-N 2.99Å; T523-S527 VanDerWaalsContact O-CB 3.3Å; T523-S527 WeakPolarHBondContact O-CB 3.43Å; T523-S527 PolarHBondContact O-N 3.49Å; T523-S527 PolarHBondContact O-OG 3.03Å
524I89.4Confident89Confident7 Ų730.2 Ų30.24%0.03617%0.168CC..Hα-helixtrans-60.9-46.8-169.9-174.162000112.8I167 Q170 Y171 S520 A521 M526 S527 L528I167-I524 HydrophobicContact CG1-CG1 4.37Å; I167-I524 HydrophobicContact CG1-CG2 4.32Å; I167-I524 HydrophobicContact CG2-CD1 4.35Å; I167-I524 HydrophobicContact CG2-CG1 4.23Å; Q170-I524 HydrophobicContact CB-CG1 4.35Å; Q170-I524 HydrophobicContact CG-CG2 4.23Å; Y171-I524 HydrophobicContact CE2-CD1 3.99Å; S520-I524 WeakPolarHBondContact O-CA 3.33Å; S520-I524 WeakPolarHBondContact O-CB 3.35Å; S520-I524 PolarHBondContact O-N 3.24Å; A521-I524 WeakPolarHBondContact O-CG2 3.44Å; I524-M526 PolarHBondContact O-N 2.93Å; I524-S527 PolarHBondContact O-N 3.14Å; I524-L528 HydrophobicContact CD1-CD1 3.92Å; I524-L528 HydrophobicContact CD1-CG 3.96Å; I524-L528 HydrophobicContact CG1-CD1 3.89Å; I524-L528 HydrophobicContact CG1-CG 4.32Å; I524-L528 WeakPolarHBondContact O-CB 3.49Å; I524-L528 WeakPolarHBondContact O-CG 3.27Å; I524-L528 PolarHBondContact O-N 2.74Å
525A88.6Confident89.4Confident44 Ų4430.3 Ų30.336%0.36417%0.169SC..Hα-helixtrans-62.9-42.9-178.300000111.7T523 T529T523-A525 PolarHBondContact O-N 2.78Å; A525-T529 WeakPolarHBondContact O-CB 3.43Å; A525-T529 PolarHBondContact O-N 3.45Å; A525-T529 VanDerWaalsContact O-N 3.08Å; A525-T529 PolarHBondContact O-OG1 2.94Å
526M87.9Confident89.8Confident76 Ų7630.3 Ų30.337%0.37417%0.169SC..Hα-helixtrans-67-44.2175.9-173.1163.370.600111.4L255 A258 T523 I524 L528 T529 M530L255-M526 HydrophobicContact CB-CE 4.21Å; L255-M526 HydrophobicContact CD1-CE 3.41Å; L255-M526 VanDerWaalsContact CD1-CE 3.41Å; L255-M526 HydrophobicContact CD1-CG 4.24Å; L255-M526 HydrophobicContact CG-CE 4.41Å; A258-M526 HydrophobicContact CB-CE 3.7Å; T523-M526 PolarHBondContact O-N 2.99Å; I524-M526 PolarHBondContact O-N 2.93Å; M526-L528 PolarHBondContact O-N 3.23Å; M526-T529 PolarHBondContact O-N 3.04Å; M526-M530 HydrophobicContact CG-SD 3.82Å; M526-M530 WeakPolarHBondContact O-CB 3.2Å; M526-M530 VanDerWaalsContact O-CG 3.31Å; M526-M530 WeakPolarHBondContact O-CG 3.27Å; M526-M530 PolarHBondContact O-N 3.34Å
527S89.8Confident90.3Very high18 Ų1828.7 Ų28.713%0.12616%0.161CC..Hα-helixtrans-58.8-46.1178.1-63.20000111.6R259 T523 I524 M530 Q531R259-S527 PolarHBondContact NH2-OG 3.37Å; T523-S527 VanDerWaalsContact O-CB 3.3Å; T523-S527 WeakPolarHBondContact O-CB 3.43Å; T523-S527 PolarHBondContact O-N 3.49Å; T523-S527 PolarHBondContact O-OG 3.03Å; I524-S527 PolarHBondContact O-N 3.14Å; S527-M530 PolarHBondContact O-N 2.91Å; S527-Q531 VanDerWaalsContact O-CB 3.28Å; S527-Q531 WeakPolarHBondContact O-CB 3.5Å; S527-Q531 PolarHBondContact O-N 2.83Å
528L92.2Very high90.7Very high13 Ų1329.2 Ų29.27%0.06816%0.163CC..Hα-helixtrans-69.3-41.1-179.8-75.3176000112.8Q170 Y171 I174 I524 M526 M530 Q531 Y532Q170-L528 HydrophobicContact CB-CD1 3.63Å; Y171-L528 HydrophobicContact CD1-CD1 4.38Å; Y171-L528 HydrophobicContact CD1-CD2 3.96Å; Y171-L528 HydrophobicContact CE1-CD2 3.57Å; Y171-L528 HydrophobicContact CG-CD1 4.4Å; I174-L528 HydrophobicContact CG1-CB 4.06Å; I174-L528 HydrophobicContact CG1-CD1 4.34Å; I524-L528 HydrophobicContact CD1-CD1 3.92Å; I524-L528 HydrophobicContact CD1-CG 3.96Å; I524-L528 HydrophobicContact CG1-CD1 3.89Å; I524-L528 HydrophobicContact CG1-CG 4.32Å; I524-L528 WeakPolarHBondContact O-CB 3.49Å; I524-L528 WeakPolarHBondContact O-CG 3.27Å; I524-L528 PolarHBondContact O-N 2.74Å; M526-L528 PolarHBondContact O-N 3.23Å; L528-M530 VanDerWaalsContact C-N 3.31Å; L528-M530 PolarHBondContact O-N 2.85Å; L528-Q531 PolarHBondContact O-N 2.96Å; L528-Y532 WeakPolarHBondContact O-CB 3.26Å; L528-Y532 PolarHBondContact O-N 3.42Å
529T91.6Very high91.4Very high84 Ų8427.6 Ų27.652%0.51516%0.155SC..Hα-helixtrans-60.4-43.9175.7-57.80000111A525 M526 Y532 R533A525-T529 WeakPolarHBondContact O-CB 3.43Å; A525-T529 PolarHBondContact O-N 3.45Å; A525-T529 VanDerWaalsContact O-N 3.08Å; A525-T529 PolarHBondContact O-OG1 2.94Å; M526-T529 PolarHBondContact O-N 3.04Å; T529-Y532 PolarHBondContact O-N 2.82Å; T529-R533 PolarHBondContact O-N 2.6Å; T529-R533 VanDerWaalsContact O-N 3.15Å
530M91.6Very high92.1Very high12 Ų1226.4 Ų26.46%0.05915%0.149CC..Hα-helixtrans-70.8-36.6177.5-70.3171.94900112.7L251 L252 L255 M526 S527 L528 R533 R534L251-M530 HydrophobicContact CB-CE 3.89Å; L251-M530 HydrophobicContact CB-CG 4.28Å; L251-M530 HydrophobicContact CB-SD 4.1Å; L251-M530 WeakPolarHBondContact O-CE 3.44Å; L252-M530 VanDerWaalsContact CA-CE 3.43Å; L252-M530 HydrophobicContact CB-CE 4.32Å; L252-M530 HydrophobicContact CD2-CE 3.68Å; L252-M530 HydrophobicContact CG-CE 4.01Å; L252-M530 VanDerWaalsContact N-CE 3.33Å; L255-M530 HydrophobicContact CB-CE 3.6Å; L255-M530 HydrophobicContact CB-SD 3.8Å; L255-M530 HydrophobicContact CD2-CE 3.66Å; L255-M530 HydrophobicContact CD2-SD 4.03Å; L255-M530 HydrophobicContact CG-CE 4.26Å; L255-M530 HydrophobicContact CG-SD 4.37Å; M526-M530 HydrophobicContact CG-SD 3.82Å; M526-M530 WeakPolarHBondContact O-CB 3.2Å; M526-M530 VanDerWaalsContact O-CG 3.31Å; M526-M530 WeakPolarHBondContact O-CG 3.27Å; M526-M530 PolarHBondContact O-N 3.34Å; S527-M530 PolarHBondContact O-N 2.91Å; L528-M530 VanDerWaalsContact C-N 3.31Å; L528-M530 PolarHBondContact O-N 2.85Å; M530-R533 PolarHBondContact O-N 3.41Å; M530-R534 WeakPolarHBondContact O-CB 3.44Å; M530-R534 PolarHBondContact O-N 3.43Å
531Q94.8Very high93.1Very high55 Ų5525.2 Ų25.226%0.25714%0.14SC..Hα-helixtrans-61.9-44.8174.5-173.160.948.200110.6S527 L528 R533 R534 D535 R625S527-Q531 VanDerWaalsContact O-CB 3.28Å; S527-Q531 WeakPolarHBondContact O-CB 3.5Å; S527-Q531 PolarHBondContact O-N 2.83Å; L528-Q531 PolarHBondContact O-N 2.96Å; Q531-R533 VanDerWaalsContact C-N 3.34Å; Q531-R533 PolarHBondContact O-N 3.07Å; Q531-R534 CarbonylContact O-C 3.09Å; Q531-R534 WeakPolarHBondContact O-CB 3.26Å; Q531-R534 PolarHBondContact O-N 3.18Å; Q531-R534 VanDerWaalsContact O-N 3.13Å; Q531-D535 PolarHBondContact NE2-OD1 2.97Å; Q531-D535 WeakPolarHBondContact O-CB 3.43Å; Q531-D535 PolarHBondContact O-N 3.37Å; Q531-R625 VanDerWaalsContact NE2-CD 3.32Å
532Y96.4Very high93.9Very high19 Ų1924.6 Ų24.68%0.07514%0.135CC..Hα-helixtrans-58-45.4175178.5-91000111.8T177 Y178 E205 F206 Q241 L528 T529 R534 D535 V536T177-Y532 HydrophobicContact CG2-CE2 3.81Å; Y178-Y532 HydrophobicContact CD1-CD2 4.25Å; Y178-Y532 HydrophobicContact CD1-CE2 4.04Å; Y178-Y532 AromaticContact CE1-CD2 3.42Å; Y178-Y532 HydrophobicContact CE1-CD2 3.42Å; Y178-Y532 VanDerWaalsContact CE1-CD2 3.42Å; Y178-Y532 AromaticContact CE1-CE2 3.56Å; Y178-Y532 HydrophobicContact CE1-CE2 3.56Å; Y178-Y532 AromaticContact CZ-CD2 3.64Å; Y178-Y532 WeakPolarHBondContact OH-CD2 3.16Å; E205-Y532 VanDerWaalsContact OE2-CE1 3.32Å; E205-Y532 WeakPolarHBondContact OE2-CE1 3.13Å; E205-Y532 PolarHBondContact OE2-OH 2.88Å; F206-Y532 AromaticContact CE2-CE2 3.9Å; F206-Y532 HydrophobicContact CE2-CE2 3.9Å; F206-Y532 AromaticContact CE2-CZ 3.9Å; F206-Y532 HydrophobicContact CZ-CE2 4.13Å; Q241-Y532 VanDerWaalsContact NE2-CD1 3.28Å; Q241-Y532 VanDerWaalsContact NE2-CE1 3.27Å; L528-Y532 WeakPolarHBondContact O-CB 3.26Å; L528-Y532 PolarHBondContact O-N 3.42Å; T529-Y532 PolarHBondContact O-N 2.82Å; Y532-R534 VanDerWaalsContact C-N 3.35Å; Y532-R534 PolarHBondContact O-N 2.94Å; Y532-D535 PolarHBondContact O-N 2.99Å; Y532-V536 HydrophobicContact CD1-CG2 4.4Å; Y532-V536 HydrophobicContact CE1-CG2 3.93Å; Y532-V536 WeakPolarHBondContact O-CG2 3.34Å; Y532-V536 PolarHBondContact O-N 3.42Å
533R96.8Very high94.7Very high11 Ų1120.8 Ų20.84%0.04211%0.111CC..Hα-helixtrans-58.6-44.6173.8-170-177.8-177.399.81.7112.3A238 G242 T529 M530 Q531 V536 V537 D591A238-R533 HydrophobicContact CB-CG 3.63Å; G242-R533 PolarHBondContact O-NH1 3.47Å; T529-R533 PolarHBondContact O-N 2.6Å; T529-R533 VanDerWaalsContact O-N 3.15Å; M530-R533 PolarHBondContact O-N 3.41Å; Q531-R533 VanDerWaalsContact C-N 3.34Å; Q531-R533 PolarHBondContact O-N 3.07Å; R533-V536 PolarHBondContact O-N 3.36Å; R533-V537 VanDerWaalsContact O-CG2 3.27Å; R533-V537 WeakPolarHBondContact O-CG2 3.49Å; R533-V537 PolarHBondContact O-N 3.2Å; R533-V537 VanDerWaalsContact O-N 3.14Å; R533-D591 IonicContact CZ-OD1 3.44Å; R533-D591 IonicContact CZ-OD2 3.44Å; R533-D591 IonicContact NE-OD1 2.76Å; R533-D591 PolarHBondContact NE-OD1 2.9Å; R533-D591 IonicContact NE-OD2 2.87Å; R533-D591 PolarHBondContact NE-OD2 2.78Å; R533-D591 VanDerWaalsContact NH2-CG 3.31Å; R533-D591 IonicContact NH2-OD1 3.3Å; R533-D591 PolarHBondContact NH2-OD1 3.22Å; R533-D591 VanDerWaalsContact NH2-OD1 3.14Å; R533-D591 IonicContact NH2-OD2 3.14Å; R533-D591 PolarHBondContact NH2-OD2 2.72Å
534R97.4Very high95.3Very high69 Ų6920.2 Ų20.226%0.2611%0.107SC..Hα-helixtrans-63.3-41.1176.9-173.1172.2-172.7178.23111.7L248 M530 Q531 Y532 V537 F538 D598L248-R534 HydrophobicContact CD1-CB 4.25Å; L248-R534 HydrophobicContact CD2-CB 3.73Å; L248-R534 HydrophobicContact CD2-CG 3.91Å; M530-R534 WeakPolarHBondContact O-CB 3.44Å; M530-R534 PolarHBondContact O-N 3.43Å; Q531-R534 CarbonylContact O-C 3.09Å; Q531-R534 WeakPolarHBondContact O-CB 3.26Å; Q531-R534 PolarHBondContact O-N 3.18Å; Q531-R534 VanDerWaalsContact O-N 3.13Å; Y532-R534 VanDerWaalsContact C-N 3.35Å; Y532-R534 PolarHBondContact O-N 2.94Å; R534-V537 PolarHBondContact O-N 3.01Å; R534-F538 WeakPolarHBondContact O-CB 3.43Å; R534-F538 PolarHBondContact O-N 2.99Å; R534-D598 IonicContact CZ-OD1 3.43Å; R534-D598 IonicContact CZ-OD2 3.35Å; R534-D598 VanDerWaalsContact CZ-OD2 3.3Å; R534-D598 IonicContact NE-OD1 2.78Å; R534-D598 IonicContact NE-OD2 3.88Å; R534-D598 PolarHBondContact NE-OD2 3.34Å; R534-D598 IonicContact NH2-OD1 3.21Å; R534-D598 PolarHBondContact NH2-OD1 2.86Å; R534-D598 IonicContact NH2-OD2 3.33Å; R534-D598 PolarHBondContact NH2-OD2 2.86Å; R534-D598 VanDerWaalsContact NH2-OD2 3.08Å
535D98.1Very high95.7Very high4 Ų419.9 Ų19.92%0.02111%0.106CC..Hα-helixtrans-63.4-42.5178.7-69.1-18.6000111.2F135 L139 Y178 F206 Q531 Y532 C539 R625F135-D535 HydrophobicContact CE1-CB 4.23Å; F135-D535 WeakPolarHBondContact CE1-O 3.38Å; L139-D535 HydrophobicContact CD1-CB 3.75Å; Y178-D535 PolarHBondContact OH-OD2 3.31Å; F206-D535 HydrophobicContact CE1-CB 4.35Å; F206-D535 HydrophobicContact CZ-CB 4.49Å; Q531-D535 PolarHBondContact NE2-OD1 2.97Å; Q531-D535 WeakPolarHBondContact O-CB 3.43Å; Q531-D535 PolarHBondContact O-N 3.37Å; Y532-D535 PolarHBondContact O-N 2.99Å; D535-C539 VanDerWaalsContact O-CB 3.26Å; D535-C539 WeakPolarHBondContact O-CB 3.42Å; D535-C539 PolarHBondContact O-N 3.31Å; D535-R625 IonicContact OD1-NE 3.72Å; D535-R625 PolarHBondContact OD1-NE 3.21Å; D535-R625 IonicContact OD2-CZ 3.52Å; D535-R625 VanDerWaalsContact OD2-CZ 3.26Å; D535-R625 IonicContact OD2-NE 2.91Å; D535-R625 PolarHBondContact OD2-NE 2.95Å; D535-R625 IonicContact OD2-NH2 3.63Å; D535-R625 PolarHBondContact OD2-NH2 2.98Å
536V98.3Very high96.2Very high0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-57.7-54.7172.5165.80000111.2E205 F206 A238 Y532 R533 F538 C539 Q540E205-V536 HydrophobicContact CG-CG1 3.7Å; E205-V536 HydrophobicContact CG-CG2 3.97Å; F206-V536 HydrophobicContact CD2-CG2 4.02Å; F206-V536 HydrophobicContact CE1-CG2 4.14Å; F206-V536 HydrophobicContact CE2-CG2 3.5Å; F206-V536 HydrophobicContact CZ-CB 4.43Å; F206-V536 HydrophobicContact CZ-CG2 3.52Å; A238-V536 HydrophobicContact CB-CG1 4.25Å; Y532-V536 HydrophobicContact CD1-CG2 4.4Å; Y532-V536 HydrophobicContact CE1-CG2 3.93Å; Y532-V536 WeakPolarHBondContact O-CG2 3.34Å; Y532-V536 PolarHBondContact O-N 3.42Å; R533-V536 PolarHBondContact O-N 3.36Å; V536-F538 VanDerWaalsContact C-N 3.32Å; V536-F538 PolarHBondContact O-N 3.37Å; V536-C539 PolarHBondContact O-N 2.76Å; V536-Q540 WeakPolarHBondContact O-CG 3.28Å; V536-Q540 PolarHBondContact O-N 3.28Å; V536-Q540 VanDerWaalsContact O-N 3.14Å
537V98.2Very high96.6Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-64-40.9-175.9174.60000110.9P236 R533 R534 Q540 T541 D591P236-V537 HydrophobicContact CB-CG1 4.12Å; R533-V537 VanDerWaalsContact O-CG2 3.27Å; R533-V537 WeakPolarHBondContact O-CG2 3.49Å; R533-V537 PolarHBondContact O-N 3.2Å; R533-V537 VanDerWaalsContact O-N 3.14Å; R534-V537 PolarHBondContact O-N 3.01Å; V537-Q540 PolarHBondContact O-N 3.03Å; V537-T541 PolarHBondContact O-N 2.84Å; V537-T541 VanDerWaalsContact O-N 3.08Å; V537-T541 PolarHBondContact O-OG1 2.88Å; V537-D591 HydrophobicContact CG1-CB 4.27Å; V537-D591 WeakPolarHBondContact CG1-O 2.96Å; V537-D591 HydrophobicContact CG2-CB 3.88Å
538F98.6Very high97Very high12 Ų1213.4 Ų13.45%0.0537%0.065CC..Hα-helixtrans-66.5-41.9177.2-176-101.5000112F135 R534 V536 Q540 T541 L542 D598 L599 V602 F628F135-F538 AromaticContact CE2-CD1 3.62Å; F135-F538 HydrophobicContact CE2-CD1 3.62Å; F135-F538 AromaticContact CE2-CE1 3.78Å; F135-F538 HydrophobicContact CE2-CE1 3.78Å; F135-F538 AromaticContact CZ-CD1 3.56Å; F135-F538 HydrophobicContact CZ-CD1 3.56Å; F135-F538 HydrophobicContact CZ-CE1 4.19Å; R534-F538 WeakPolarHBondContact O-CB 3.43Å; R534-F538 PolarHBondContact O-N 2.99Å; V536-F538 VanDerWaalsContact C-N 3.32Å; V536-F538 PolarHBondContact O-N 3.37Å; F538-Q540 VanDerWaalsContact C-N 3.34Å; F538-Q540 PolarHBondContact O-N 3.4Å; F538-T541 VanDerWaalsContact CA-OG1 3.27Å; F538-T541 WeakPolarHBondContact CA-OG1 3.45Å; F538-T541 PolarHBondContact O-N 2.95Å; F538-T541 PolarHBondContact O-OG1 3.05Å; F538-L542 HydrophobicContact CE1-CB 4.31Å; F538-L542 HydrophobicContact CE1-CD2 3.92Å; F538-L542 WeakPolarHBondContact O-CB 3.17Å; F538-L542 PolarHBondContact O-N 3.46Å; F538-D598 HydrophobicContact CD2-CB 3.57Å; F538-D598 HydrophobicContact CE2-CB 3.77Å; F538-L599 HydrophobicContact CD2-CD2 4.49Å; F538-L599 HydrophobicContact CE2-CD2 4Å; F538-V602 HydrophobicContact CE2-CG2 4.15Å; F538-V602 HydrophobicContact CZ-CG2 3.64Å; F538-F628 HydrophobicContact CD1-CD2 4.42Å; F538-F628 HydrophobicContact CD1-CE2 4.14Å; F538-F628 AromaticContact CE1-CD2 3.36Å; F538-F628 HydrophobicContact CE1-CD2 3.36Å; F538-F628 AromaticContact CE1-CE2 3.48Å; F538-F628 HydrophobicContact CE1-CE2 3.48Å; F538-F628 VanDerWaalsContact CE1-CE2 3.48Å; F538-F628 HydrophobicContact CE1-CG 4.31Å; F538-F628 AromaticContact CZ-CD2 3.73Å; F538-F628 HydrophobicContact CZ-CD2 3.73Å; F538-F628 HydrophobicContact CZ-CE2 4.19Å
539C98.6Very high97.2Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-59-45175.6-178.70000112.1F135 F206 D535 V536 T543F135-C539 HydrophobicContact CD1-CB 3.56Å; F135-C539 HydrophobicContact CE1-CB 3.75Å; F135-C539 HydrophobicContact CG-CB 4.25Å; F206-C539 HydrophobicContact CD1-CB 3.65Å; F206-C539 HydrophobicContact CE1-CB 4.24Å; F206-C539 PolarHBondContact O-SG 2.97Å; D535-C539 VanDerWaalsContact O-CB 3.26Å; D535-C539 WeakPolarHBondContact O-CB 3.42Å; D535-C539 PolarHBondContact O-N 3.31Å; V536-C539 PolarHBondContact O-N 2.76Å; C539-T543 WeakPolarHBondContact O-CB 3.39Å; C539-T543 PolarHBondContact O-N 3.28Å; C539-T543 PolarHBondContact O-OG1 3.34Å
540Q98.5Very high97.4Very high1 Ų18.9 Ų8.91%0.0054%0.038CC..Hα-helixtrans-63.1-43.9178.4-65.6176.810.800111.8E205 P208 I233 P236 A237 V536 V537 F538 A544E205-Q540 PolarHBondContact O-NE2 3.47Å; P208-Q540 HydrophobicContact CB-CB 4.19Å; P208-Q540 HydrophobicContact CB-CG 4.45Å; I233-Q540 WeakPolarHBondContact CD1-O 3.29Å; P236-Q540 HydrophobicContact CB-CB 4.15Å; A237-Q540 PolarHBondContact O-NE2 2.86Å; V536-Q540 WeakPolarHBondContact O-CG 3.28Å; V536-Q540 PolarHBondContact O-N 3.28Å; V536-Q540 VanDerWaalsContact O-N 3.14Å; V537-Q540 PolarHBondContact O-N 3.03Å; F538-Q540 VanDerWaalsContact C-N 3.34Å; F538-Q540 PolarHBondContact O-N 3.4Å; Q540-A544 PolarHBondContact O-N 3.14Å
541T98.5Very high97.5Very high0 Ų08.4 Ų8.40%04%0.036CC..Hα-helixtrans-67.3-45.9176.9450000112.5P236 V537 F538 T543 A544 L545 Y575 V596P236-T541 HydrophobicContact CB-CG2 3.53Å; P236-T541 HydrophobicContact CG-CG2 3.5Å; P236-T541 VanDerWaalsContact CG-CG2 3.5Å; V537-T541 PolarHBondContact O-N 2.84Å; V537-T541 VanDerWaalsContact O-N 3.08Å; V537-T541 PolarHBondContact O-OG1 2.88Å; F538-T541 VanDerWaalsContact CA-OG1 3.27Å; F538-T541 WeakPolarHBondContact CA-OG1 3.45Å; F538-T541 PolarHBondContact O-N 2.95Å; F538-T541 PolarHBondContact O-OG1 3.05Å; T541-T543 VanDerWaalsContact C-N 3.31Å; T541-T543 PolarHBondContact O-N 3.25Å; T541-A544 PolarHBondContact O-N 2.53Å; T541-L545 PolarHBondContact O-N 3.09Å; T541-Y575 PolarHBondContact O-OH 3.36Å; T541-V596 HydrophobicContact CG2-CG2 4.14Å
542L98.6Very high97.6Very high0 Ų07.3 Ų7.30%03%0.03CC..Hα-helixtrans-58.1-43.2177.4178.362.3000111.2I131 F135 F538 A544 L545 I546 L599 V602 I621 V630I131-L542 HydrophobicContact CG2-CG 4.46Å; F135-L542 HydrophobicContact CD2-CD2 4.11Å; F135-L542 HydrophobicContact CE2-CD2 4.38Å; F538-L542 HydrophobicContact CE1-CB 4.31Å; F538-L542 HydrophobicContact CE1-CD2 3.92Å; F538-L542 WeakPolarHBondContact O-CB 3.17Å; F538-L542 PolarHBondContact O-N 3.46Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-A544 PolarHBondContact O-N 3.21Å; L542-L545 WeakPolarHBondContact O-CB 3.37Å; L542-L545 PolarHBondContact O-N 2.95Å; L542-L545 VanDerWaalsContact O-N 3.16Å; L542-I546 HydrophobicContact CD1-CD1 3.9Å; L542-I546 HydrophobicContact CD1-CG1 4Å; L542-I546 HydrophobicContact CD2-CD1 4.47Å; L542-I546 HydrophobicContact CG-CD1 3.83Å; L542-I546 HydrophobicContact CG-CG1 4.32Å; L542-I546 VanDerWaalsContact O-CG1 3.27Å; L542-I546 WeakPolarHBondContact O-CG1 3.38Å; L542-I546 PolarHBondContact O-N 2.95Å; L542-L599 HydrophobicContact CB-CD2 4.48Å; L542-V602 HydrophobicContact CD1-CG1 3.95Å; L542-V602 HydrophobicContact CD1-CG2 3.85Å; L542-I621 HydrophobicContact CD2-CD1 4.19Å; L542-I621 HydrophobicContact CD2-CG2 4.47Å; L542-V630 HydrophobicContact CD1-CG2 4.21Å
543T98.6Very high97.4Very high0 Ų06.4 Ų6.40%03%0.027CC..Hα-helixtrans-60.1-43.1178.5-55.50000112.1L127 I131 P208 L211 C539 T541 C547L127-T543 HydrophobicContact CB-CG2 4.13Å; L127-T543 VanDerWaalsContact O-CG2 3.28Å; L127-T543 WeakPolarHBondContact O-CG2 3.47Å; I131-T543 HydrophobicContact CB-CG2 4.05Å; I131-T543 HydrophobicContact CG1-CG2 4.27Å; I131-T543 HydrophobicContact CG2-CG2 4.4Å; I131-T543 WeakPolarHBondContact CG2-OG1 3.45Å; P208-T543 HydrophobicContact CG-CG2 3.8Å; L211-T543 HydrophobicContact CD2-CG2 3.79Å; C539-T543 WeakPolarHBondContact O-CB 3.39Å; C539-T543 PolarHBondContact O-N 3.28Å; C539-T543 PolarHBondContact O-OG1 3.34Å; T541-T543 VanDerWaalsContact C-N 3.31Å; T541-T543 PolarHBondContact O-N 3.25Å; T543-C547 WeakPolarHBondContact O-CB 3.16Å; T543-C547 PolarHBondContact O-N 2.91Å
544A98.4Very high97.1Very high0 Ų07.4 Ų7.40%03%0.03CC..Hα-helixtrans-64.8-45.3173.800000111.6L211 V231 I233 Q540 T541 L542 I546 C547 G548 F752L211-A544 HydrophobicContact CD1-CB 3.91Å; V231-A544 HydrophobicContact CG1-CB 4.35Å; I233-A544 HydrophobicContact CB-CB 4.5Å; I233-A544 HydrophobicContact CD1-CB 3.74Å; Q540-A544 PolarHBondContact O-N 3.14Å; T541-A544 PolarHBondContact O-N 2.53Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-A544 PolarHBondContact O-N 3.21Å; A544-I546 PolarHBondContact O-N 3.41Å; A544-C547 WeakPolarHBondContact O-CB 3.47Å; A544-C547 PolarHBondContact O-N 3.36Å; A544-G548 PolarHBondContact O-N 3.41Å; A544-F752 HydrophobicContact CB-CD1 4.12Å; A544-F752 HydrophobicContact CB-CE1 3.88Å; A544-F752 VanDerWaalsContact O-CE1 3.24Å; A544-F752 WeakPolarHBondContact O-CE1 3.34Å
545L98.7Very high96.7Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-56.2-49.2179.7175.865.6000111.8T541 L542 C547 G548 F549 V573 L599 V602 F604 V654T541-L545 PolarHBondContact O-N 3.09Å; L542-L545 WeakPolarHBondContact O-CB 3.37Å; L542-L545 PolarHBondContact O-N 2.95Å; L542-L545 VanDerWaalsContact O-N 3.16Å; L545-C547 VanDerWaalsContact C-N 3.29Å; L545-C547 PolarHBondContact O-N 2.87Å; L545-G548 PolarHBondContact O-N 2.95Å; L545-F549 WeakPolarHBondContact O-CB 3.48Å; L545-F549 PolarHBondContact O-N 3.08Å; L545-V573 HydrophobicContact CD1-CB 4.25Å; L545-V573 HydrophobicContact CD1-CG1 3.65Å; L545-V573 HydrophobicContact CD1-CG2 4.09Å; L545-L599 HydrophobicContact CB-CD1 4.26Å; L545-L599 HydrophobicContact CB-CD2 4.33Å; L545-L599 HydrophobicContact CD2-CB 4.15Å; L545-L599 HydrophobicContact CD2-CD1 4.19Å; L545-L599 HydrophobicContact CD2-CD2 3.81Å; L545-L599 HydrophobicContact CD2-CG 4.26Å; L545-V602 HydrophobicContact CD2-CB 4.26Å; L545-V602 HydrophobicContact CD2-CG1 4.12Å; L545-V602 HydrophobicContact CD2-CG2 4.49Å; L545-F604 HydrophobicContact CD1-CE2 4.41Å; L545-F604 HydrophobicContact CD2-CE2 4.05Å; L545-F604 HydrophobicContact CD2-CZ 4.15Å; L545-F604 HydrophobicContact CG-CE2 4.05Å; L545-F604 HydrophobicContact CG-CZ 3.92Å; L545-V654 HydrophobicContact CD1-CG1 4Å; L545-V654 HydrophobicContact CD2-CG1 4.18Å; L545-V654 HydrophobicContact CD2-CG2 4.28Å
546I98.4Very high96.3Very high0 Ų07.2 Ų7.20%04%0.035CC..Hα-helixtrans-61.5-40.8180-62.4172.9000110.5L127 I131 L542 A544 F549 A550 F604 P619 I621 V630L127-I546 HydrophobicContact CD1-CB 4.35Å; L127-I546 HydrophobicContact CD1-CG2 3.82Å; I131-I546 HydrophobicContact CD1-CD1 3.63Å; I131-I546 HydrophobicContact CD1-CG2 4.43Å; I131-I546 HydrophobicContact CG1-CD1 4.08Å; I131-I546 HydrophobicContact CG2-CD1 4.11Å; L542-I546 HydrophobicContact CD1-CD1 3.9Å; L542-I546 HydrophobicContact CD1-CG1 4Å; L542-I546 HydrophobicContact CD2-CD1 4.47Å; L542-I546 HydrophobicContact CG-CD1 3.83Å; L542-I546 HydrophobicContact CG-CG1 4.32Å; L542-I546 VanDerWaalsContact O-CG1 3.27Å; L542-I546 WeakPolarHBondContact O-CG1 3.38Å; L542-I546 PolarHBondContact O-N 2.95Å; A544-I546 PolarHBondContact O-N 3.41Å; I546-F549 PolarHBondContact O-N 2.7Å; I546-A550 WeakPolarHBondContact O-CB 3.45Å; I546-A550 PolarHBondContact O-N 3.05Å; I546-F604 HydrophobicContact CG1-CE1 4.08Å; I546-F604 HydrophobicContact CG1-CZ 4.25Å; I546-P619 HydrophobicContact CG2-CB 3.67Å; I546-P619 HydrophobicContact CG2-CG 3.6Å; I546-I621 HydrophobicContact CD1-CD1 4.46Å; I546-I621 HydrophobicContact CD1-CG1 4.3Å; I546-V630 HydrophobicContact CD1-CB 4.47Å; I546-V630 HydrophobicContact CD1-CG1 3.81Å; I546-V630 HydrophobicContact CD1-CG2 3.8Å; I546-V630 HydrophobicContact CG1-CG1 3.94Å; I546-V630 HydrophobicContact CG1-CG2 4.06Å; I546-V630 HydrophobicContact CG2-CG1 4.2Å
547C97.1Very high95.7Very high0 Ų07.5 Ų7.50%04%0.037CC..Hα-helixtrans-60.1-49.5175.1-1760000111.9L127 I213 T543 A544 L545 F549 A550 L551L127-C547 HydrophobicContact CD1-CB 4.06Å; I213-C547 VanDerWaalsContact CD1-SG 3.52Å; I213-C547 WeakPolarHBondContact CG1-SG 3.43Å; T543-C547 WeakPolarHBondContact O-CB 3.16Å; T543-C547 PolarHBondContact O-N 2.91Å; A544-C547 WeakPolarHBondContact O-CB 3.47Å; A544-C547 PolarHBondContact O-N 3.36Å; L545-C547 VanDerWaalsContact C-N 3.29Å; L545-C547 PolarHBondContact O-N 2.87Å; C547-F549 PolarHBondContact O-N 2.69Å; C547-A550 PolarHBondContact O-N 2.78Å; C547-L551 WeakPolarHBondContact O-CG 3.27Å; C547-L551 PolarHBondContact O-N 3.3Å
548G97.6Very high95Very high1 Ų113.4 Ų13.41%0.018%0.077CC..Hα-helixtrans-63.6-39.6177.800000113.2A544 L545 L551 K552A544-G548 PolarHBondContact O-N 3.41Å; L545-G548 PolarHBondContact O-N 2.95Å; G548-L551 PolarHBondContact O-N 3.46Å; G548-K552 WeakPolarHBondContact O-CB 3.21Å; G548-K552 PolarHBondContact O-N 2.78Å
549F97.6Very high94.5Very high1 Ų115.4 Ų15.40%0.0049%0.088CC..Hα-helixtrans-65.2-45.1176.4179.4-102.7000112.2L545 I546 C547 L551 K552 L553 L566 L571 F604 V606 V632 L652L545-F549 WeakPolarHBondContact O-CB 3.48Å; L545-F549 PolarHBondContact O-N 3.08Å; I546-F549 PolarHBondContact O-N 2.7Å; C547-F549 PolarHBondContact O-N 2.69Å; F549-L551 VanDerWaalsContact C-N 3.3Å; F549-L551 PolarHBondContact O-N 3.25Å; F549-K552 PolarHBondContact O-N 2.81Å; F549-L553 HydrophobicContact CE1-CB 4.39Å; F549-L553 HydrophobicContact CE1-CD2 3.89Å; F549-L553 HydrophobicContact CZ-CB 4.4Å; F549-L553 HydrophobicContact CZ-CD2 4.14Å; F549-L553 VanDerWaalsContact O-CB 3.25Å; F549-L553 WeakPolarHBondContact O-CB 3.43Å; F549-L553 PolarHBondContact O-N 3.23Å; F549-L566 HydrophobicContact CE2-CD1 4.15Å; F549-L566 HydrophobicContact CE2-CD2 4.34Å; F549-L571 HydrophobicContact CD2-CD2 3.63Å; F549-L571 HydrophobicContact CE2-CD2 4.38Å; F549-F604 HydrophobicContact CB-CE1 3.91Å; F549-F604 HydrophobicContact CB-CE2 3.96Å; F549-F604 HydrophobicContact CB-CZ 3.6Å; F549-F604 HydrophobicContact CD1-CB 4.42Å; F549-F604 AromaticContact CD1-CD1 3.42Å; F549-F604 HydrophobicContact CD1-CD1 3.42Å; F549-F604 VanDerWaalsContact CD1-CD1 3.42Å; F549-F604 HydrophobicContact CD1-CD2 4.27Å; F549-F604 AromaticContact CD1-CE1 3.57Å; F549-F604 HydrophobicContact CD1-CE1 3.57Å; F549-F604 HydrophobicContact CD1-CE2 4.39Å; F549-F604 AromaticContact CD1-CG 3.79Å; F549-F604 HydrophobicContact CD1-CG 3.79Å; F549-F604 HydrophobicContact CD1-CZ 4.06Å; F549-F604 AromaticContact CD2-CD2 3.99Å; F549-F604 HydrophobicContact CD2-CD2 3.99Å; F549-F604 HydrophobicContact CD2-CE2 4.13Å; F549-F604 HydrophobicContact CD2-CG 4.22Å; F549-F604 HydrophobicContact CD2-CZ 4.49Å; F549-F604 HydrophobicContact CE1-CB 3.86Å; F549-F604 AromaticContact CE1-CD1 3.62Å; F549-F604 HydrophobicContact CE1-CD1 3.62Å; F549-F604 HydrophobicContact CE1-CD2 4.45Å; F549-F604 HydrophobicContact CE1-CE1 4.26Å; F549-F604 AromaticContact CE1-CG 3.73Å; F549-F604 HydrophobicContact CE1-CG 3.73Å; F549-F604 HydrophobicContact CE2-CB 4.27Å; F549-F604 HydrophobicContact CE2-CD2 4.18Å; F549-F604 HydrophobicContact CE2-CG 4.15Å; F549-F604 AromaticContact CG-CD1 3.92Å; F549-F604 HydrophobicContact CG-CD1 3.92Å; F549-F604 HydrophobicContact CG-CD2 4Å; F549-F604 AromaticContact CG-CE1 3.8Å; F549-F604 HydrophobicContact CG-CE1 3.8Å; F549-F604 AromaticContact CG-CE2 3.89Å; F549-F604 HydrophobicContact CG-CE2 3.89Å; F549-F604 HydrophobicContact CG-CG 4.01Å; F549-F604 AromaticContact CG-CZ 3.79Å; F549-F604 HydrophobicContact CG-CZ 3.79Å; F549-F604 HydrophobicContact CZ-CB 3.75Å; F549-F604 HydrophobicContact CZ-CD1 4.28Å; F549-F604 HydrophobicContact CZ-CD2 4.4Å; F549-F604 AromaticContact CZ-CG 3.9Å; F549-F604 HydrophobicContact CZ-CG 3.9Å; F549-V606 HydrophobicContact CZ-CG2 4.38Å; F549-V632 HydrophobicContact CD1-CG2 3.83Å; F549-V632 HydrophobicContact CE1-CB 4.13Å; F549-V632 HydrophobicContact CE1-CG1 4.35Å; F549-V632 HydrophobicContact CE1-CG2 3.8Å; F549-L652 HydrophobicContact CZ-CD1 4.09Å
550A95.3Very high94.1Very high1 Ų120.1 Ų20.11%0.00812%0.121CC..Hα-helixtrans-58.4-43.1178.500000111.7M93 V97 I546 C547 R554M93-A550 HydrophobicContact CE-CB 4.17Å; M93-A550 WeakPolarHBondContact CE-O 3.37Å; V97-A550 HydrophobicContact CG2-CB 4.45Å; I546-A550 WeakPolarHBondContact O-CB 3.45Å; I546-A550 PolarHBondContact O-N 3.05Å; C547-A550 PolarHBondContact O-N 2.78Å; A550-R554 VanDerWaalsContact O-CB 3.29Å; A550-R554 WeakPolarHBondContact O-CB 3.31Å; A550-R554 PolarHBondContact O-N 2.9Å; A550-R554 VanDerWaalsContact O-N 3.13Å
551L94.1Very high93.7Very high2 Ų220.3 Ų20.31%0.0112%0.123CC..Hα-helixtrans-63.5-49.4175.1-68.9163.1000112.1L88 L94 I213 V231 C547 G548 F549 R554 N555L88-L551 HydrophobicContact CD2-CD2 3.98Å; L94-L551 HydrophobicContact CD2-CD2 3.88Å; I213-L551 HydrophobicContact CB-CD1 4.25Å; I213-L551 HydrophobicContact CD1-CD1 3.99Å; I213-L551 HydrophobicContact CD1-CD2 4.32Å; I213-L551 HydrophobicContact CD1-CG 4.47Å; I213-L551 HydrophobicContact CG1-CD1 3.85Å; I213-L551 HydrophobicContact CG2-CD1 3.48Å; I213-L551 VanDerWaalsContact CG2-CD1 3.48Å; I213-L551 HydrophobicContact CG2-CD2 4.02Å; I213-L551 HydrophobicContact CG2-CG 4.41Å; V231-L551 HydrophobicContact CG2-CD1 4.09Å; C547-L551 WeakPolarHBondContact O-CG 3.27Å; C547-L551 PolarHBondContact O-N 3.3Å; G548-L551 PolarHBondContact O-N 3.46Å; F549-L551 VanDerWaalsContact C-N 3.3Å; F549-L551 PolarHBondContact O-N 3.25Å; L551-R554 PolarHBondContact O-N 2.83Å; L551-N555 VanDerWaalsContact O-CG 3.26Å; L551-N555 PolarHBondContact O-N 3.25Å
552K95.2Very high93.5Very high33 Ų3320.4 Ų20.414%0.14312%0.124CC..Hα-helixtrans-63.7-48.6-177.2-176.969.5-175.2-161.80111.6G548 F549 R554 N555 C556 F562 L571 N748 G749 V750G548-K552 WeakPolarHBondContact O-CB 3.21Å; G548-K552 PolarHBondContact O-N 2.78Å; F549-K552 PolarHBondContact O-N 2.81Å; K552-R554 VanDerWaalsContact C-N 3.3Å; K552-R554 PolarHBondContact O-N 2.75Å; K552-N555 PolarHBondContact O-N 2.79Å; K552-C556 VanDerWaalsContact CE-SG 3.59Å; K552-C556 WeakPolarHBondContact O-CB 3.41Å; K552-C556 PolarHBondContact O-N 3.32Å; K552-F562 HydrophobicContact CD-CE2 4.41Å; K552-F562 HydrophobicContact CG-CE1 4.47Å; K552-F562 HydrophobicContact CG-CE2 3.9Å; K552-F562 HydrophobicContact CG-CZ 3.64Å; K552-L571 HydrophobicContact CG-CD1 4.37Å; K552-N748 WeakPolarHBondContact CE-O 3.41Å; K552-N748 VanDerWaalsContact NZ-C 3.29Å; K552-N748 PolarHBondContact NZ-O 2.87Å; K552-G749 PolarHBondContact NZ-O 3.34Å; K552-V750 HydrophobicContact CB-CG2 3.79Å; K552-V750 HydrophobicContact CD-CG2 4.4Å; K552-V750 HydrophobicContact CG-CG2 3.9Å
553L93.8Very high93.4Very high0 Ų020.8 Ų20.80%013%0.126CC..Hα-helixtrans-53.9-52.5176.8179.161.7000109.2M93 F549 N555 C556 L557 L566 V606 V632 V634M93-L553 HydrophobicContact CE-CD2 4.2Å; F549-L553 HydrophobicContact CE1-CB 4.39Å; F549-L553 HydrophobicContact CE1-CD2 3.89Å; F549-L553 HydrophobicContact CZ-CB 4.4Å; F549-L553 HydrophobicContact CZ-CD2 4.14Å; F549-L553 VanDerWaalsContact O-CB 3.25Å; F549-L553 WeakPolarHBondContact O-CB 3.43Å; F549-L553 PolarHBondContact O-N 3.23Å; L553-N555 PolarHBondContact O-N 2.82Å; L553-C556 CarbonylContact O-C 3.53Å; L553-C556 PolarHBondContact O-N 2.94Å; L553-C556 VanDerWaalsContact O-N 3.16Å; L553-L557 HydrophobicContact CD1-CD2 3.92Å; L553-L557 HydrophobicContact CG-CD2 4.07Å; L553-L557 VanDerWaalsContact O-CG 3.26Å; L553-L557 WeakPolarHBondContact O-CG 3.31Å; L553-L557 PolarHBondContact O-N 3.47Å; L553-L566 HydrophobicContact CD1-CD2 4.47Å; L553-V606 HydrophobicContact CD1-CG2 4.4Å; L553-V606 HydrophobicContact CD2-CG1 4.15Å; L553-V606 HydrophobicContact CD2-CG2 3.76Å; L553-V632 HydrophobicContact CD2-CG1 4.24Å; L553-V634 HydrophobicContact CD2-CG1 4.05Å
554R90.3Very high93.1Very high32 Ų3227.3 Ų27.312%0.12115%0.15CC..Hα-helixtrans-58.2-45.3-178.2177.861-17499.9-20.7113.9S85 D91 M93 L94 A550 L551 K552 C556S85-R554 VanDerWaalsContact CB-NH2 3.34Å; S85-R554 PolarHBondContact O-NE 3.08Å; S85-R554 PolarHBondContact O-NH2 3.47Å; D91-R554 IonicContact OD1-NE 2.73Å; D91-R554 PolarHBondContact OD1-NE 2.81Å; D91-R554 IonicContact OD2-CZ 3.1Å; D91-R554 IonicContact OD2-NE 2.85Å; D91-R554 PolarHBondContact OD2-NE 3.44Å; D91-R554 IonicContact OD2-NH2 3.54Å; D91-R554 PolarHBondContact OD2-NH2 3.34Å; M93-R554 HydrophobicContact CE-CB 4.44Å; M93-R554 HydrophobicContact SD-CB 3.93Å; M93-R554 HydrophobicContact SD-CG 4.4Å; L94-R554 HydrophobicContact CD1-CG 3.95Å; L94-R554 HydrophobicContact CD2-CB 3.87Å; L94-R554 HydrophobicContact CD2-CG 3.86Å; L94-R554 HydrophobicContact CG-CB 4.4Å; L94-R554 HydrophobicContact CG-CG 3.83Å; A550-R554 VanDerWaalsContact O-CB 3.29Å; A550-R554 WeakPolarHBondContact O-CB 3.31Å; A550-R554 PolarHBondContact O-N 2.9Å; A550-R554 VanDerWaalsContact O-N 3.13Å; L551-R554 PolarHBondContact O-N 2.83Å; K552-R554 VanDerWaalsContact C-N 3.3Å; K552-R554 PolarHBondContact O-N 2.75Å; R554-C556 VanDerWaalsContact C-N 3.26Å; R554-C556 PolarHBondContact O-N 2.99Å
555N88.8Confident93Very high52 Ų5227.4 Ų27.428%0.27815%0.151SC..Hα-helixtrans-70.8-25.1-178.2-68.9-12.4000112.4R215 D229 L551 K552 L553R215-N555 PolarHBondContact NH2-ND2 3.43Å; R215-N555 PolarHBondContact NH2-OD1 2.9Å; D229-N555 PolarHBondContact OD2-ND2 3.13Å; L551-N555 VanDerWaalsContact O-CG 3.26Å; L551-N555 PolarHBondContact O-N 3.25Å; K552-N555 PolarHBondContact O-N 2.79Å; L553-N555 PolarHBondContact O-N 2.82Å
556C89.9Confident92.8Very high16 Ų1627.5 Ų27.511%0.10815%0.151CC..Hα-helixtrans-11314-172.2-60.30000113.8K552 L553 R554 C558 N559 F562K552-C556 VanDerWaalsContact CE-SG 3.59Å; K552-C556 WeakPolarHBondContact O-CB 3.41Å; K552-C556 PolarHBondContact O-N 3.32Å; L553-C556 CarbonylContact O-C 3.53Å; L553-C556 PolarHBondContact O-N 2.94Å; L553-C556 VanDerWaalsContact O-N 3.16Å; R554-C556 VanDerWaalsContact C-N 3.26Å; R554-C556 PolarHBondContact O-N 2.99Å; C556-C558 PolarHBondContact O-N 2.84Å; C556-N559 HydrophobicContact CB-CB 4.22Å; C556-N559 WeakPolarHBondContact O-CB 3.24Å; C556-N559 PolarHBondContact O-N 2.83Å; C556-F562 HydrophobicContact CB-CB 4.09Å; C556-F562 HydrophobicContact CB-CD1 3.15Å; C556-F562 HydrophobicContact CB-CD2 4.5Å; C556-F562 HydrophobicContact CB-CE1 3.6Å; C556-F562 HydrophobicContact CB-CG 3.65Å; C556-F562 HydrophobicContact CB-CZ 4.42Å
557L85.9Confident92.6Very high6 Ų629.6 Ų29.63%0.03116%0.161CC..THydrogen-bonded Turntrans-55.9-33.1177.6-74.5175.7000114L553 L563 M638 L642L553-L557 HydrophobicContact CD1-CD2 3.92Å; L553-L557 HydrophobicContact CG-CD2 4.07Å; L553-L557 VanDerWaalsContact O-CG 3.26Å; L553-L557 WeakPolarHBondContact O-CG 3.31Å; L553-L557 PolarHBondContact O-N 3.47Å; L557-L563 WeakPolarHBondContact O-CD1 3.41Å; L557-M638 HydrophobicContact CD1-CB 3.97Å; L557-M638 HydrophobicContact CD1-CE 3.19Å; L557-M638 HydrophobicContact CD1-CG 3.98Å; L557-M638 HydrophobicContact CD1-SD 4.36Å; L557-L642 HydrophobicContact CD2-CD2 3.63Å
558C82.7Confident92.4Very high124 Ų12432.9 Ų32.984%0.83818%0.181SC*.THydrogen-bonded Turntrans-97.14.9178.7-540000112.9C556 S560C556-C558 PolarHBondContact O-N 2.84Å; C558-S560 PolarHBondContact O-N 2.89Å
559N88.9Confident92.3Very high55 Ų5534 Ų3429%0.29419%0.186SC..  trans-93.898.2178.1-177.3-20.6000109C556 G561 F562 L563C556-N559 HydrophobicContact CB-CB 4.22Å; C556-N559 WeakPolarHBondContact O-CB 3.24Å; C556-N559 PolarHBondContact O-N 2.83Å; N559-G561 VanDerWaalsContact C-N 3.26Å; N559-G561 PolarHBondContact O-N 2.83Å; N559-G561 WeakPolarHBondContact OD1-CA 3.35Å; N559-G561 PolarHBondContact OD1-N 3.27Å; N559-F562 HydrophobicContact CB-CB 3.99Å; N559-F562 PolarHBondContact O-N 2.94Å; N559-F562 PolarHBondContact OD1-N 3.08Å; N559-L563 WeakPolarHBondContact O-CG 3.24Å; N559-L563 PolarHBondContact O-N 3.14Å
560S88.6Confident92.2Very high99 Ų9934.1 Ų34.169%0.69219%0.188SC*.Hα-helixtrans-59.2-36.4179.453.90000112.7C558 L563 R564C558-S560 PolarHBondContact O-N 2.89Å; S560-L563 PolarHBondContact O-N 2.79Å; S560-R564 WeakPolarHBondContact O-CB 3.45Å; S560-R564 PolarHBondContact O-N 2.81Å
561G91.7Very high92.3Very high5 Ų534.2 Ų34.25%0.05219%0.188CC..Hα-helixtrans-62.2-49.5176.200000112.6N559 R564 Q565N559-G561 VanDerWaalsContact C-N 3.26Å; N559-G561 PolarHBondContact O-N 2.83Å; N559-G561 WeakPolarHBondContact OD1-CA 3.35Å; N559-G561 PolarHBondContact OD1-N 3.27Å; G561-R564 PolarHBondContact O-N 3.29Å; G561-Q565 WeakPolarHBondContact O-CB 3.48Å; G561-Q565 PolarHBondContact O-N 3.14Å
562F94.4Very high92.5Very high2 Ų234.1 Ų34.11%0.00919%0.188CC..Hα-helixtrans-61.3-46.4175168.9-107.2000112K552 C556 N559 R564 Q565 L566 L571 N748K552-F562 HydrophobicContact CD-CE2 4.41Å; K552-F562 HydrophobicContact CG-CE1 4.47Å; K552-F562 HydrophobicContact CG-CE2 3.9Å; K552-F562 HydrophobicContact CG-CZ 3.64Å; C556-F562 HydrophobicContact CB-CB 4.09Å; C556-F562 HydrophobicContact CB-CD1 3.15Å; C556-F562 HydrophobicContact CB-CD2 4.5Å; C556-F562 HydrophobicContact CB-CE1 3.6Å; C556-F562 HydrophobicContact CB-CG 3.65Å; C556-F562 HydrophobicContact CB-CZ 4.42Å; N559-F562 HydrophobicContact CB-CB 3.99Å; N559-F562 PolarHBondContact O-N 2.94Å; N559-F562 PolarHBondContact OD1-N 3.08Å; F562-R564 VanDerWaalsContact C-N 3.28Å; F562-R564 PolarHBondContact O-N 3.17Å; F562-Q565 WeakPolarHBondContact O-CB 3.26Å; F562-Q565 PolarHBondContact O-N 3.14Å; F562-L566 HydrophobicContact CE1-CD2 3.87Å; F562-L566 HydrophobicContact CZ-CB 4.4Å; F562-L566 HydrophobicContact CZ-CD1 4.5Å; F562-L566 HydrophobicContact CZ-CD2 3.91Å; F562-L566 VanDerWaalsContact O-CB 3.25Å; F562-L566 WeakPolarHBondContact O-CB 3.49Å; F562-L566 PolarHBondContact O-N 3.41Å; F562-L571 HydrophobicContact CE2-CD1 3.95Å; F562-L571 HydrophobicContact CZ-CD1 4.18Å; F562-N748 HydrophobicContact CD2-CB 3.79Å; F562-N748 HydrophobicContact CE2-CB 4.5Å
563L94.6Very high92.7Very high7 Ų732.6 Ų32.64%0.03718%0.181CC..Hα-helixtrans-64.5-35.2-179-71.5171.7000111.9L557 N559 S560 H567 L642 P643 I646L557-L563 WeakPolarHBondContact O-CD1 3.41Å; N559-L563 WeakPolarHBondContact O-CG 3.24Å; N559-L563 PolarHBondContact O-N 3.14Å; S560-L563 PolarHBondContact O-N 2.79Å; L563-H567 WeakPolarHBondContact O-CB 3.23Å; L563-H567 PolarHBondContact O-N 3.47Å; L563-H567 PolarHBondContact O-ND1 2.89Å; L563-L642 HydrophobicContact CD1-CD2 4.49Å; L563-L642 HydrophobicContact CD2-CD2 3.86Å; L563-P643 HydrophobicContact CB-CG 3.88Å; L563-P643 HydrophobicContact CD1-CG 4.29Å; L563-I646 HydrophobicContact CD2-CD1 4.18Å
564R93.8Very high92.9Very high137 Ų13732.6 Ų32.652%0.51718%0.181SC..Hα-helixtrans-63.4-52.2171.5-158.9177.7-155.5171.14.7110.9S560 G561 F562 L566 H567 T568 L701S560-R564 WeakPolarHBondContact O-CB 3.45Å; S560-R564 PolarHBondContact O-N 2.81Å; G561-R564 PolarHBondContact O-N 3.29Å; F562-R564 VanDerWaalsContact C-N 3.28Å; F562-R564 PolarHBondContact O-N 3.17Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-L566 PolarHBondContact O-N 3.42Å; R564-H567 WeakPolarHBondContact CA-ND1 3.32Å; R564-H567 PolarHBondContact O-N 2.73Å; R564-T568 WeakPolarHBondContact O-CB 3.4Å; R564-T568 PolarHBondContact O-N 3.28Å; R564-T568 PolarHBondContact O-OG1 3.28Å; R564-L701 HydrophobicContact CB-CD2 4.26Å; R564-L701 HydrophobicContact CG-CD2 3.73Å
565Q95.3Very high93.3Very high3 Ų331 Ų311%0.01418%0.176CC..Hα-helixtrans-54.8-48.6177-177.5-175.6-18.200112.7G561 F562 H567 T568 I569 G570 Y693 F697 L701 L747 N748G561-Q565 WeakPolarHBondContact O-CB 3.48Å; G561-Q565 PolarHBondContact O-N 3.14Å; F562-Q565 WeakPolarHBondContact O-CB 3.26Å; F562-Q565 PolarHBondContact O-N 3.14Å; Q565-H567 PolarHBondContact O-N 3.15Å; Q565-T568 PolarHBondContact O-N 3.49Å; Q565-I569 HydrophobicContact CG-CD1 3.86Å; Q565-I569 HydrophobicContact CG-CG1 3.81Å; Q565-I569 WeakPolarHBondContact O-CG1 3.46Å; Q565-I569 PolarHBondContact O-N 3.4Å; Q565-G570 PolarHBondContact O-N 3.08Å; Q565-Y693 PolarHBondContact NE2-OH 3.46Å; Q565-F697 HydrophobicContact CG-CD2 4.12Å; Q565-F697 HydrophobicContact CG-CE2 4.21Å; Q565-L701 HydrophobicContact CB-CD1 3.84Å; Q565-L701 HydrophobicContact CG-CD1 3.88Å; Q565-L747 PolarHBondContact NE2-O 3.01Å; Q565-N748 PolarHBondContact OE1-ND2 3.04Å
566L95.3Very high93.8Very high2 Ų228.7 Ų28.71%0.0116%0.163CC..Hα-helixtrans-57.3-37.6-177.2177.959.1000112.5F549 L553 F562 R564 G570 L571 I646 L652F549-L566 HydrophobicContact CE2-CD1 4.15Å; F549-L566 HydrophobicContact CE2-CD2 4.34Å; L553-L566 HydrophobicContact CD1-CD2 4.47Å; F562-L566 HydrophobicContact CE1-CD2 3.87Å; F562-L566 HydrophobicContact CZ-CB 4.4Å; F562-L566 HydrophobicContact CZ-CD1 4.5Å; F562-L566 HydrophobicContact CZ-CD2 3.91Å; F562-L566 VanDerWaalsContact O-CB 3.25Å; F562-L566 WeakPolarHBondContact O-CB 3.49Å; F562-L566 PolarHBondContact O-N 3.41Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-L566 PolarHBondContact O-N 3.42Å; L566-G570 VanDerWaalsContact O-CA 3.28Å; L566-G570 WeakPolarHBondContact O-CA 3.48Å; L566-G570 PolarHBondContact O-N 3.43Å; L566-L571 HydrophobicContact CD1-CB 3.86Å; L566-L571 HydrophobicContact CD1-CD1 4.26Å; L566-I646 HydrophobicContact CD2-CD1 4.46Å; L566-L652 HydrophobicContact CD1-CB 4.28Å; L566-L652 HydrophobicContact CD1-CD1 4.26Å; L566-L652 HydrophobicContact CD2-CD1 3.85Å; L566-L652 HydrophobicContact CG-CD1 3.92Å; L566-L652 HydrophobicContact CG-CD2 4.17Å; L566-L652 HydrophobicContact CG-CG 4.43Å
567H93.7Very high94.2Very high44 Ų4427.9 Ų27.920%0.20416%0.158CC..Hα-helixtrans-96.2-19.1-171.893.3-122.3000112.2L563 R564 Q565 I646 M650 L652L563-H567 WeakPolarHBondContact O-CB 3.23Å; L563-H567 PolarHBondContact O-N 3.47Å; L563-H567 PolarHBondContact O-ND1 2.89Å; R564-H567 WeakPolarHBondContact CA-ND1 3.32Å; R564-H567 PolarHBondContact O-N 2.73Å; Q565-H567 PolarHBondContact O-N 3.15Å; H567-I646 HydrophobicContact CB-CD1 4.12Å; H567-I646 HydrophobicContact CB-CG1 4.02Å; H567-M650 HydrophobicContact CB-CE 3.15Å; H567-M650 WeakPolarHBondContact O-CE 3.45Å; H567-L652 HydrophobicContact CB-CD2 4.05Å
568T94Very high94.7Very high69 Ų6927.6 Ų27.642%0.42316%0.156SC..Hα-helixtrans-90.5-51.5175.9-51.20000113R564 Q565 V700R564-T568 WeakPolarHBondContact O-CB 3.4Å; R564-T568 PolarHBondContact O-N 3.28Å; R564-T568 PolarHBondContact O-OG1 3.28Å; Q565-T568 PolarHBondContact O-N 3.49Å; T568-V700 HydrophobicContact CG2-CB 4.17Å; T568-V700 HydrophobicContact CG2-CG2 3.78Å
569I95.3Very high95.4Very high23 Ų2321.7 Ų21.712%0.11812%0.116CC..THydrogen-bonded Turntrans-116.5-11-174.866.2169.8000113.7Q565 Y693 Q696 F697 V700 L701Q565-I569 HydrophobicContact CG-CD1 3.86Å; Q565-I569 HydrophobicContact CG-CG1 3.81Å; Q565-I569 WeakPolarHBondContact O-CG1 3.46Å; Q565-I569 PolarHBondContact O-N 3.4Å; I569-Y693 HydrophobicContact CD1-CD2 4.49Å; I569-Y693 HydrophobicContact CD1-CE1 3.95Å; I569-Y693 HydrophobicContact CD1-CE2 3.81Å; I569-Y693 VanDerWaalsContact CD1-CZ 3.5Å; I569-Y693 HydrophobicContact CG1-CE2 4.04Å; I569-Q696 HydrophobicContact CG2-CB 4.48Å; I569-F697 HydrophobicContact CD1-CB 3.74Å; I569-F697 HydrophobicContact CD1-CD2 3.85Å; I569-F697 HydrophobicContact CD1-CG 4.3Å; I569-V700 HydrophobicContact CG2-CG2 3.33Å; I569-L701 HydrophobicContact CD1-CD1 3.91Å; I569-L701 HydrophobicContact CG1-CD1 4.03Å; I569-L701 HydrophobicContact CG2-CD1 4.34Å
570G95.4Very high95.8Very high4 Ų419.1 Ų19.14%0.04110%0.102CC..  trans91.2-178.6-179.300000114.1Q565 L566 R653 Y693Q565-G570 PolarHBondContact O-N 3.08Å; L566-G570 VanDerWaalsContact O-CA 3.28Å; L566-G570 WeakPolarHBondContact O-CA 3.48Å; L566-G570 PolarHBondContact O-N 3.43Å; G570-R653 CarbonylContact C-O 3.58Å; G570-R653 VanDerWaalsContact CA-O 3.32Å; G570-R653 WeakPolarHBondContact CA-O 3.27Å; G570-Y693 PolarHBondContact O-OH 3.41Å
571L97.5Very high96.1Very high3 Ų314.5 Ų14.52%0.0167%0.07CC..EExtended strand (participates in β ladder)trans-93.4120.6-173.6-177.275.7000111.9F549 K552 F562 L566 V573 R653 Q655 V750F549-L571 HydrophobicContact CD2-CD2 3.63Å; F549-L571 HydrophobicContact CE2-CD2 4.38Å; K552-L571 HydrophobicContact CG-CD1 4.37Å; F562-L571 HydrophobicContact CE2-CD1 3.95Å; F562-L571 HydrophobicContact CZ-CD1 4.18Å; L566-L571 HydrophobicContact CD1-CB 3.86Å; L566-L571 HydrophobicContact CD1-CD1 4.26Å; L571-V573 HydrophobicContact CD2-CG1 3.59Å; L571-V573 HydrophobicContact CG-CG1 3.88Å; L571-R653 PolarHBondContact N-O 2.88Å; L571-Q655 PolarHBondContact O-N 3.45Å; L571-V750 HydrophobicContact CD1-CG2 3.96Å; L571-V750 HydrophobicContact CD2-CG2 3.99Å; L571-V750 HydrophobicContact CG-CG2 4.2Å
572L98.4Very high96.1Very high1 Ų118.9 Ų18.91%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-73.3127.5167.1-173.366.6000110.6Q655 I657 L690 Y693 L747 G749 V750L572-Q655 HydrophobicContact CD1-CB 4.44Å; L572-Q655 HydrophobicContact CD1-CG 4.23Å; L572-I657 HydrophobicContact CD1-CD1 3.95Å; L572-I657 HydrophobicContact CD1-CG1 4.31Å; L572-I657 HydrophobicContact CD1-CG2 4.33Å; L572-I657 HydrophobicContact CG-CD1 4.42Å; L572-L690 HydrophobicContact CD1-CD1 4.4Å; L572-L690 HydrophobicContact CD2-CD1 3.94Å; L572-Y693 HydrophobicContact CB-CD1 4.23Å; L572-Y693 HydrophobicContact CB-CE1 3.7Å; L572-Y693 HydrophobicContact CB-CE2 4.35Å; L572-Y693 HydrophobicContact CD1-CD1 4.02Å; L572-Y693 HydrophobicContact CD1-CD2 4.5Å; L572-Y693 HydrophobicContact CD1-CE1 4.36Å; L572-Y693 HydrophobicContact CD1-CG 4.09Å; L572-Y693 HydrophobicContact CD2-CD1 4.15Å; L572-Y693 HydrophobicContact CD2-CE1 4.16Å; L572-Y693 HydrophobicContact CG-CD1 4.37Å; L572-Y693 HydrophobicContact CG-CE1 4.3Å; L572-L747 HydrophobicContact CD2-CB 3.78Å; L572-L747 HydrophobicContact CD2-CD1 3.89Å; L572-G749 CarbonylContact O-C 3.48Å; L572-G749 WeakPolarHBondContact O-CA 3.35Å; L572-V750 PolarHBondContact O-N 3.24Å
573V98.5Very high96Very high0 Ų021.1 Ų21.10%011%0.109CC..EExtended strand (participates in β ladder)trans-124.9122.8172.2-57.80000110.4L545 L571 Y575 V654 Q655 P656 I657 V750 F752L545-V573 HydrophobicContact CD1-CB 4.25Å; L545-V573 HydrophobicContact CD1-CG1 3.65Å; L545-V573 HydrophobicContact CD1-CG2 4.09Å; L571-V573 HydrophobicContact CD2-CG1 3.59Å; L571-V573 HydrophobicContact CG-CG1 3.88Å; V573-Y575 HydrophobicContact CG2-CE2 4.26Å; V573-V654 HydrophobicContact CG1-CG1 4.04Å; V573-V654 HydrophobicContact CG2-CG1 3.61Å; V573-Q655 PolarHBondContact N-O 3.24Å; V573-P656 HydrophobicContact CG2-CB 3.82Å; V573-P656 WeakPolarHBondContact O-CA 3.34Å; V573-I657 WeakPolarHBondContact O-CG1 3.33Å; V573-I657 PolarHBondContact O-N 3.26Å; V573-V750 HydrophobicContact CG1-CB 4.03Å; V573-V750 HydrophobicContact CG1-CG2 4.21Å; V573-F752 HydrophobicContact CB-CE2 4.02Å; V573-F752 HydrophobicContact CG1-CE2 4.38Å
574Q98.5Very high95.9Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-109.3122.9-176.6-166.9-76-900109.3I657 C744 V750 R751 F752Q574-I657 HydrophobicContact CB-CD1 3.91Å; Q574-I657 HydrophobicContact CB-CG1 3.82Å; Q574-I657 HydrophobicContact CG-CD1 3.65Å; Q574-I657 HydrophobicContact CG-CG1 3.74Å; Q574-C744 HydrophobicContact CB-CB 3.65Å; Q574-C744 WeakPolarHBondContact CB-SG 3.41Å; Q574-C744 HydrophobicContact CG-CB 4.05Å; Q574-V750 PolarHBondContact N-O 2.91Å; Q574-R751 VanDerWaalsContact CD-NH1 3.25Å; Q574-F752 WeakPolarHBondContact O-CD2 3.38Å; Q574-F752 PolarHBondContact O-N 3.43Å
575Y98.6Very high96Very high0 Ų019.6 Ų19.60%011%0.108CC..EExtended strand (participates in β ladder)trans-101.2123.6169.3-74.8-101.3000110.3T541 V573 M592 V596 L599 I657 L658 F659 F752T541-Y575 PolarHBondContact O-OH 3.36Å; V573-Y575 HydrophobicContact CG2-CE2 4.26Å; Y575-M592 HydrophobicContact CD1-CE 3.81Å; Y575-M592 HydrophobicContact CG-CE 4.34Å; Y575-V596 HydrophobicContact CD1-CG2 3.97Å; Y575-V596 HydrophobicContact CD2-CG1 3.67Å; Y575-V596 HydrophobicContact CD2-CG2 4.02Å; Y575-V596 HydrophobicContact CE1-CG2 4.27Å; Y575-V596 HydrophobicContact CE2-CG1 4.18Å; Y575-V596 HydrophobicContact CE2-CG2 4.32Å; Y575-V596 HydrophobicContact CG-CG1 4.13Å; Y575-V596 HydrophobicContact CG-CG2 3.83Å; Y575-L599 HydrophobicContact CE2-CD1 3.72Å; Y575-I657 PolarHBondContact N-O 3.36Å; Y575-L658 WeakPolarHBondContact O-CA 3.5Å; Y575-L658 WeakPolarHBondContact O-CD1 3.35Å; Y575-F659 PolarHBondContact O-N 2.94Å; Y575-F752 HydrophobicContact CD1-CB 3.51Å; Y575-F752 HydrophobicContact CD1-CD2 4.4Å; Y575-F752 AromaticContact CD1-CG 3.92Å; Y575-F752 HydrophobicContact CD1-CG 3.92Å; Y575-F752 HydrophobicContact CD2-CB 4.39Å; Y575-F752 AromaticContact CD2-CD2 3.99Å; Y575-F752 HydrophobicContact CD2-CD2 3.99Å; Y575-F752 HydrophobicContact CD2-CG 4.32Å; Y575-F752 HydrophobicContact CE1-CB 3.72Å; Y575-F752 AromaticContact CE1-CD1 3.87Å; Y575-F752 HydrophobicContact CE1-CD1 3.87Å; Y575-F752 HydrophobicContact CE1-CD2 4.15Å; Y575-F752 AromaticContact CE1-CG 3.63Å; Y575-F752 HydrophobicContact CE1-CG 3.63Å; Y575-F752 AromaticContact CE2-CD2 3.69Å; Y575-F752 HydrophobicContact CE2-CD2 3.69Å; Y575-F752 HydrophobicContact CE2-CE2 4.04Å; Y575-F752 HydrophobicContact CE2-CG 4.06Å; Y575-F752 HydrophobicContact CG-CB 3.88Å; Y575-F752 HydrophobicContact CG-CD2 4.33Å; Y575-F752 HydrophobicContact CG-CG 4.26Å; Y575-F752 AromaticContact CZ-CD1 3.95Å; Y575-F752 AromaticContact CZ-CD2 3.77Å; Y575-F752 AromaticContact CZ-CG 3.71Å
576E98.4Very high96Very high2 Ų221.1 Ų21.11%0.00912%0.116CC..EExtended strand (participates in β ladder)trans-96.4130.4166.5174.8179.7126.500109.8L737 R751 F752 S754 S765E576-L737 HydrophobicContact CG-CB 4.28Å; E576-L737 HydrophobicContact CG-CD1 3.89Å; E576-L737 HydrophobicContact CG-CD2 4.02Å; E576-L737 HydrophobicContact CG-CG 4.27Å; E576-R751 IonicContact OE2-CZ 2.85Å; E576-R751 IonicContact OE2-NH1 2.74Å; E576-R751 PolarHBondContact OE2-NH1 3.14Å; E576-R751 IonicContact OE2-NH2 2.79Å; E576-R751 PolarHBondContact OE2-NH2 2.87Å; E576-F752 WeakPolarHBondContact CB-O 3.25Å; E576-F752 PolarHBondContact N-O 2.99Å; E576-S754 WeakPolarHBondContact O-CA 3.27Å; E576-S754 WeakPolarHBondContact O-CB 3.45Å; E576-S754 PolarHBondContact O-N 2.77Å; E576-S765 VanDerWaalsContact OE1-CB 3.3Å; E576-S765 WeakPolarHBondContact OE1-CB 3.37Å; E576-S765 PolarHBondContact OE1-OG 3.03Å
577S98.2Very high96Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-122.9133.2176.1174.50000111.5L579 F659 N660 V661 S754S577-L579 WeakPolarHBondContact OG-CG 3.28Å; S577-L579 PolarHBondContact OG-N 3.42Å; S577-F659 PolarHBondContact N-O 3.45Å; S577-N660 WeakPolarHBondContact CB-OD1 3.41Å; S577-N660 VanDerWaalsContact O-CA 3.31Å; S577-N660 WeakPolarHBondContact O-CA 3.39Å; S577-N660 PolarHBondContact O-OD1 3.02Å; S577-N660 PolarHBondContact OG-OD1 3.26Å; S577-V661 PolarHBondContact O-N 2.76Å; S577-S754 WeakPolarHBondContact CA-O 3.46Å
578L97.9Very high96.2Very high0 Ų019 Ų190%011%0.107CC..  trans-105.217.8178-56.6169000112.5V661 I663 L737 S754 C755 R761 Y825L578-V661 WeakPolarHBondContact CA-O 3.3Å; L578-I663 HydrophobicContact CD1-CD1 4.41Å; L578-I663 HydrophobicContact CD2-CD1 4.34Å; L578-I663 HydrophobicContact CD2-CG2 4.21Å; L578-L737 HydrophobicContact CD2-CD1 3.44Å; L578-L737 VanDerWaalsContact CD2-CD1 3.44Å; L578-S754 PolarHBondContact N-O 3.09Å; L578-C755 HydrophobicContact CB-CB 3.99Å; L578-C755 HydrophobicContact CD1-CB 4.38Å; L578-R761 HydrophobicContact CB-CB 4.47Å; L578-R761 HydrophobicContact CD1-CB 3.9Å; L578-R761 WeakPolarHBondContact CD1-O 3.47Å; L578-R761 PolarHBondContact O-NH1 3.16Å; L578-Y825 HydrophobicContact CD2-CE1 4.47Å
579L97.3Very high96.4Very high0 Ų015.8 Ų15.80%09%0.086CC..  trans-71.2139-178.4-67.5174.5000111.1A235 S577 E585 M588 L589 M592 N660 G662 K756A235-L579 HydrophobicContact CB-CD1 3.82Å; A235-L579 HydrophobicContact CB-CD2 4Å; A235-L579 HydrophobicContact CB-CG 4.36Å; S577-L579 WeakPolarHBondContact OG-CG 3.28Å; S577-L579 PolarHBondContact OG-N 3.42Å; L579-E585 WeakPolarHBondContact CA-OE2 3.37Å; L579-E585 HydrophobicContact CB-CB 4.39Å; L579-E585 HydrophobicContact CD2-CB 4.12Å; L579-E585 HydrophobicContact CD2-CG 4.08Å; L579-M588 HydrophobicContact CD1-CB 3.96Å; L579-L589 HydrophobicContact CB-CB 4.46Å; L579-L589 HydrophobicContact CD1-CB 4.04Å; L579-L589 HydrophobicContact CD1-CD1 4.46Å; L579-M592 HydrophobicContact CD1-SD 4.43Å; L579-N660 PolarHBondContact N-OD1 2.57Å; L579-N660 PolarHBondContact O-ND2 3.01Å; L579-N660 PolarHBondContact O-OD1 3.48Å; L579-G662 VanDerWaalsContact O-CA 3.3Å; L579-G662 WeakPolarHBondContact O-CA 3.43Å; L579-G662 PolarHBondContact O-N 3.2Å; L579-K756 HydrophobicContact CD2-CB 4.25Å
580S96.1Very high96.5Very high0 Ų014.8 Ų14.80%08%0.081CC..  trans-78.3149170.954.70000111.8Y582 E585 L586 N664 Q666 Q667S580-Y582 PolarHBondContact O-N 3.4Å; S580-E585 PolarHBondContact N-OE2 3Å; S580-E585 CarbonylContact O-C 3.54Å; S580-E585 VanDerWaalsContact O-C 3.28Å; S580-E585 VanDerWaalsContact O-CB 3.28Å; S580-E585 WeakPolarHBondContact O-CB 3.47Å; S580-E585 WeakPolarHBondContact OG-CB 3.32Å; S580-E585 PolarHBondContact OG-OE2 2.85Å; S580-L586 PolarHBondContact O-N 3.32Å; S580-N664 WeakPolarHBondContact CB-OD1 3.48Å; S580-Q666 WeakPolarHBondContact OG-CB 3.24Å; S580-Q666 PolarHBondContact OG-OE1 3.12Å; S580-Q667 VanDerWaalsContact CA-OE1 3.22Å
581T94.9Very high96.6Very high3 Ų314.6 Ų14.62%0.0188%0.079CC..SBendtrans-81.333.7171.5600000112.9L586 L589 A670 D675 Q679T581-L586 HydrophobicContact CG2-CD1 4.42Å; T581-L589 HydrophobicContact CG2-CD2 4.11Å; T581-A670 VanDerWaalsContact OG1-CB 3.23Å; T581-A670 WeakPolarHBondContact OG1-CB 3.27Å; T581-D675 WeakPolarHBondContact CB-O 3.37Å; T581-D675 PolarHBondContact OG1-O 2.87Å; T581-Q679 HydrophobicContact CG2-CB 3.58Å
582Y92.8Very high96.6Very high97 Ų9714.4 Ų14.438%0.388%0.079SC..SBendtrans-133.6149-178.3-159.8-98.5000111.7S580 E585 Q666 L669 A670S580-Y582 PolarHBondContact O-N 3.4Å; Y582-E585 PolarHBondContact O-N 3.3Å; Y582-Q666 WeakPolarHBondContact CB-O 3.4Å; Y582-L669 HydrophobicContact CD2-CB 4.38Å; Y582-L669 HydrophobicContact CE1-CD1 4.3Å; Y582-L669 HydrophobicContact CE2-CB 4.41Å; Y582-L669 HydrophobicContact CG-CB 4.45Å; Y582-A670 HydrophobicContact CD2-CB 4.38Å
583G91.8Very high96.6Very high49 Ų4914.5 Ų14.551%0.5058%0.079SC..Hα-helixtrans56.9-139.6176.800000112.9E585 L586G583-E585 VanDerWaalsContact C-N 3.3Å; G583-E585 PolarHBondContact O-N 2.81Å; G583-L586 WeakPolarHBondContact O-CB 3.44Å; G583-L586 PolarHBondContact O-N 3.28Å
584E92.9Very high96.6Very high104 Ų10415.3 Ų15.349%0.4868%0.084SC..Hα-helixtrans-66.7-29.3-179.7-56.7-175.1135.100113.4F243 L586 A587 M588 K756F243-E584 HydrophobicContact CD2-CB 4.05Å; F243-E584 HydrophobicContact CD2-CG 4.39Å; E584-L586 PolarHBondContact O-N 3.07Å; E584-A587 PolarHBondContact O-N 3.43Å; E584-A587 VanDerWaalsContact O-N 3.14Å; E584-M588 HydrophobicContact CB-CE 4.04Å; E584-M588 WeakPolarHBondContact O-CG 3.49Å; E584-M588 PolarHBondContact O-N 2.72Å; E584-K756 IonicContact OE2-NZ 3.18Å; E584-K756 PolarHBondContact OE2-NZ 2.83Å
585E95.3Very high96.5Very high8 Ų815.3 Ų15.34%0.0378%0.084CC..Hα-helixtrans-67-26.1-178.2-67.3-162.7-178.900112.1L579 S580 Y582 G583 M588 L589 K756 R761L579-E585 WeakPolarHBondContact CA-OE2 3.37Å; L579-E585 HydrophobicContact CB-CB 4.39Å; L579-E585 HydrophobicContact CD2-CB 4.12Å; L579-E585 HydrophobicContact CD2-CG 4.08Å; S580-E585 PolarHBondContact N-OE2 3Å; S580-E585 CarbonylContact O-C 3.54Å; S580-E585 VanDerWaalsContact O-C 3.28Å; S580-E585 VanDerWaalsContact O-CB 3.28Å; S580-E585 WeakPolarHBondContact O-CB 3.47Å; S580-E585 WeakPolarHBondContact OG-CB 3.32Å; S580-E585 PolarHBondContact OG-OE2 2.85Å; Y582-E585 PolarHBondContact O-N 3.3Å; G583-E585 VanDerWaalsContact C-N 3.3Å; G583-E585 PolarHBondContact O-N 2.81Å; E585-M588 HydrophobicContact CG-SD 4.36Å; E585-M588 PolarHBondContact O-N 2.91Å; E585-L589 WeakPolarHBondContact O-CB 3.41Å; E585-L589 PolarHBondContact O-N 3.35Å; E585-K756 HydrophobicContact CG-CD 4.33Å; E585-K756 WeakPolarHBondContact OE1-CB 3.39Å; E585-R761 IonicContact OE1-CZ 3.34Å; E585-R761 IonicContact OE1-NH1 2.72Å; E585-R761 IonicContact OE1-NH2 2.91Å; E585-R761 PolarHBondContact OE1-NH2 2.71Å; E585-R761 IonicContact OE2-CZ 3.7Å; E585-R761 VanDerWaalsContact OE2-CZ 3.3Å; E585-R761 IonicContact OE2-NH1 3.84Å; E585-R761 PolarHBondContact OE2-NH1 2.89Å; E585-R761 IonicContact OE2-NH2 3.3Å; E585-R761 PolarHBondContact OE2-NH2 3.11Å
586L95.5Very high96.5Very high34 Ų3415.3 Ų15.318%0.1788%0.084CC..Hα-helixtrans-61.8-46.1171.7179.864.9000111.2S580 T581 G583 E584 L589 E590 L678S580-L586 PolarHBondContact O-N 3.32Å; T581-L586 HydrophobicContact CG2-CD1 4.42Å; G583-L586 WeakPolarHBondContact O-CB 3.44Å; G583-L586 PolarHBondContact O-N 3.28Å; E584-L586 PolarHBondContact O-N 3.07Å; L586-L589 WeakPolarHBondContact O-CB 3.42Å; L586-L589 PolarHBondContact O-N 3.37Å; L586-E590 WeakPolarHBondContact O-CG 3.43Å; L586-E590 PolarHBondContact O-N 3.18Å; L586-L678 HydrophobicContact CD1-CB 4.28Å; L586-L678 HydrophobicContact CD1-CD2 3.62Å
587A95.8Very high96.5Very high2 Ų216.5 Ų16.52%0.0179%0.09CC..Hα-helixtrans-72.2-31.6179.500000112.2F243 E584 L589 E590 D591F243-A587 HydrophobicContact CB-CB 3.53Å; F243-A587 HydrophobicContact CD1-CB 3.37Å; F243-A587 HydrophobicContact CE1-CB 4.36Å; F243-A587 HydrophobicContact CG-CB 3.68Å; E584-A587 PolarHBondContact O-N 3.43Å; E584-A587 VanDerWaalsContact O-N 3.14Å; A587-L589 VanDerWaalsContact C-N 3.31Å; A587-E590 PolarHBondContact O-N 3.22Å; A587-D591 PolarHBondContact O-N 3.04Å
588M97.1Very high96.4Very high1 Ų117.1 Ų17.11%0.0059%0.093CC..Hα-helixtrans-63.1-38.2168.7-64.5174.7-168.500111.8A235 A237 F243 L579 E584 E585 E590 D591 M592 K756A235-M588 HydrophobicContact CB-CB 4.19Å; A235-M588 HydrophobicContact CB-SD 4.48Å; A237-M588 HydrophobicContact CB-CB 4.25Å; A237-M588 HydrophobicContact CB-CG 4.01Å; F243-M588 HydrophobicContact CD2-CE 4.31Å; F243-M588 HydrophobicContact CE1-CG 3.73Å; F243-M588 HydrophobicContact CE2-CE 3.47Å; F243-M588 VanDerWaalsContact CE2-CE 3.47Å; F243-M588 HydrophobicContact CE2-CG 4.05Å; F243-M588 HydrophobicContact CZ-CE 3.76Å; F243-M588 HydrophobicContact CZ-CG 3.46Å; F243-M588 VanDerWaalsContact CZ-CG 3.46Å; F243-M588 HydrophobicContact CZ-SD 4.48Å; L579-M588 HydrophobicContact CD1-CB 3.96Å; E584-M588 HydrophobicContact CB-CE 4.04Å; E584-M588 WeakPolarHBondContact O-CG 3.49Å; E584-M588 PolarHBondContact O-N 2.72Å; E585-M588 HydrophobicContact CG-SD 4.36Å; E585-M588 PolarHBondContact O-N 2.91Å; M588-E590 VanDerWaalsContact C-N 3.35Å; M588-D591 PolarHBondContact O-N 2.63Å; M588-M592 VanDerWaalsContact O-CB 3.3Å; M588-M592 WeakPolarHBondContact O-CB 3.05Å; M588-M592 PolarHBondContact O-N 3.45Å; M588-K756 HydrophobicContact CE-CD 4.38Å; M588-K756 HydrophobicContact CE-CG 4.3Å; M588-K756 HydrophobicContact SD-CD 4.45Å; M588-K756 HydrophobicContact SD-CG 3.96Å
589L97.6Very high96.5Very high0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-67.3-37.6176-179.360.4000111.2L579 T581 E585 L586 A587 S593 N660 L678 I682L579-L589 HydrophobicContact CB-CB 4.46Å; L579-L589 HydrophobicContact CD1-CB 4.04Å; L579-L589 HydrophobicContact CD1-CD1 4.46Å; T581-L589 HydrophobicContact CG2-CD2 4.11Å; E585-L589 WeakPolarHBondContact O-CB 3.41Å; E585-L589 PolarHBondContact O-N 3.35Å; L586-L589 WeakPolarHBondContact O-CB 3.42Å; L586-L589 PolarHBondContact O-N 3.37Å; A587-L589 VanDerWaalsContact C-N 3.31Å; L589-S593 WeakPolarHBondContact O-CB 3.32Å; L589-S593 PolarHBondContact O-N 2.94Å; L589-N660 HydrophobicContact CD1-CB 3.93Å; L589-N660 HydrophobicContact CD2-CB 4.35Å; L589-L678 HydrophobicContact CD2-CD2 4.13Å; L589-L678 HydrophobicContact CD2-CG 4.4Å; L589-L678 HydrophobicContact CG-CD2 4.21Å; L589-I682 HydrophobicContact CD1-CD1 3.89Å; L589-I682 HydrophobicContact CD2-CD1 4.05Å; L589-I682 HydrophobicContact CG-CD1 3.75Å
590E97.4Very high96.4Very high2 Ų224.5 Ų24.51%0.00912%0.121CC..Hα-helixtrans-63.5-41.6172.7-71.7177.3-172.900112.4G247 R249 K250 L586 A587 M588 V594 L678G247-E590 WeakPolarHBondContact CA-OE2 3.17Å; G247-E590 PolarHBondContact N-OE2 3.28Å; R249-E590 HydrophobicContact CB-CB 3.85Å; R249-E590 HydrophobicContact CB-CG 4.14Å; K250-E590 WeakPolarHBondContact CB-OE2 3.29Å; K250-E590 WeakPolarHBondContact CD-OE1 3.43Å; K250-E590 WeakPolarHBondContact CE-OE1 3.48Å; K250-E590 WeakPolarHBondContact CG-OE1 3.32Å; K250-E590 WeakPolarHBondContact CG-OE2 3.41Å; K250-E590 IonicContact NZ-OE1 2.61Å; K250-E590 PolarHBondContact NZ-OE1 3.03Å; L586-E590 WeakPolarHBondContact O-CG 3.43Å; L586-E590 PolarHBondContact O-N 3.18Å; A587-E590 PolarHBondContact O-N 3.22Å; M588-E590 VanDerWaalsContact C-N 3.35Å; E590-V594 WeakPolarHBondContact O-CG2 3.32Å; E590-V594 PolarHBondContact O-N 3.13Å; E590-L678 HydrophobicContact CG-CD2 3.42Å; E590-L678 VanDerWaalsContact CG-CD2 3.42Å
591D98.1Very high96.4Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-61.2-57.3171.9-76.4-1.5000111A237 A238 L248 R533 V537 A587 M588 S593 V594 G595A237-D591 WeakPolarHBondContact CA-OD2 3.33Å; A237-D591 HydrophobicContact CB-CB 4.25Å; A238-D591 PolarHBondContact N-OD2 2.96Å; L248-D591 WeakPolarHBondContact CB-OD1 3.48Å; L248-D591 PolarHBondContact N-OD1 3.31Å; R533-D591 IonicContact CZ-OD1 3.44Å; R533-D591 IonicContact CZ-OD2 3.44Å; R533-D591 IonicContact NE-OD1 2.76Å; R533-D591 PolarHBondContact NE-OD1 2.9Å; R533-D591 IonicContact NE-OD2 2.87Å; R533-D591 PolarHBondContact NE-OD2 2.78Å; R533-D591 VanDerWaalsContact NH2-CG 3.31Å; R533-D591 IonicContact NH2-OD1 3.3Å; R533-D591 PolarHBondContact NH2-OD1 3.22Å; R533-D591 VanDerWaalsContact NH2-OD1 3.14Å; R533-D591 IonicContact NH2-OD2 3.14Å; R533-D591 PolarHBondContact NH2-OD2 2.72Å; V537-D591 HydrophobicContact CG1-CB 4.27Å; V537-D591 WeakPolarHBondContact CG1-O 2.96Å; V537-D591 HydrophobicContact CG2-CB 3.88Å; A587-D591 PolarHBondContact O-N 3.04Å; M588-D591 PolarHBondContact O-N 2.63Å; D591-S593 VanDerWaalsContact C-N 3.29Å; D591-S593 PolarHBondContact O-N 3.39Å; D591-V594 PolarHBondContact O-N 3.16Å; D591-V594 VanDerWaalsContact O-N 3.07Å; D591-G595 PolarHBondContact O-N 3.4Å
592M97.9Very high96.6Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-58.9-39.3-176.5179.8173.1-176.700112P236 Y575 L579 M588 V594 G595 V596 L658P236-M592 HydrophobicContact CG-CG 4.34Å; P236-M592 PolarHBondContact O-N 3.46Å; Y575-M592 HydrophobicContact CD1-CE 3.81Å; Y575-M592 HydrophobicContact CG-CE 4.34Å; L579-M592 HydrophobicContact CD1-SD 4.43Å; M588-M592 VanDerWaalsContact O-CB 3.3Å; M588-M592 WeakPolarHBondContact O-CB 3.05Å; M588-M592 PolarHBondContact O-N 3.45Å; M592-V594 VanDerWaalsContact C-N 3.31Å; M592-V594 PolarHBondContact O-N 2.92Å; M592-G595 PolarHBondContact O-N 3.25Å; M592-V596 HydrophobicContact CE-CG2 4.25Å; M592-V596 HydrophobicContact CG-CG2 4.04Å; M592-V596 WeakPolarHBondContact O-CB 3.22Å; M592-V596 VanDerWaalsContact O-CG2 3.3Å; M592-V596 WeakPolarHBondContact O-CG2 3.43Å; M592-V596 PolarHBondContact O-N 3.25Å; M592-L658 HydrophobicContact CE-CD1 3.81Å; M592-L658 HydrophobicContact CG-CD2 4.45Å; M592-L658 HydrophobicContact SD-CD1 4.49Å
593S97.9Very high96.9Very high3 Ų324.1 Ų24.12%0.02113%0.127CC..Hα-helixtrans-59.2-41.3176.9176.30000111.9R249 L589 D591 M597R249-S593 PolarHBondContact NH1-OG 3.41Å; L589-S593 WeakPolarHBondContact O-CB 3.32Å; L589-S593 PolarHBondContact O-N 2.94Å; D591-S593 VanDerWaalsContact C-N 3.29Å; D591-S593 PolarHBondContact O-N 3.39Å; S593-M597 WeakPolarHBondContact O-CB 3.47Å; S593-M597 WeakPolarHBondContact O-CG 3.49Å; S593-M597 PolarHBondContact O-N 3.02Å
594V97.9Very high97.2Very high16 Ų1621.8 Ų21.810%0.09710%0.103CC..Hα-helixtrans-72.7-48.2178175.30000110.1L248 R249 L252 E590 D591 M592 V596 M597 D598L248-V594 HydrophobicContact CB-CG2 4.47Å; L248-V594 HydrophobicContact CD2-CB 3.9Å; L248-V594 HydrophobicContact CD2-CG1 3.67Å; L248-V594 HydrophobicContact CD2-CG2 4.47Å; L248-V594 HydrophobicContact CG-CB 4.26Å; L248-V594 HydrophobicContact CG-CG1 4.16Å; L248-V594 HydrophobicContact CG-CG2 4.28Å; R249-V594 HydrophobicContact CB-CG2 3.86Å; R249-V594 HydrophobicContact CG-CG2 4.4Å; L252-V594 HydrophobicContact CD1-CG1 3.93Å; L252-V594 HydrophobicContact CD1-CG2 4.07Å; E590-V594 WeakPolarHBondContact O-CG2 3.32Å; E590-V594 PolarHBondContact O-N 3.13Å; D591-V594 PolarHBondContact O-N 3.16Å; D591-V594 VanDerWaalsContact O-N 3.07Å; M592-V594 VanDerWaalsContact C-N 3.31Å; M592-V594 PolarHBondContact O-N 2.92Å; V594-V596 PolarHBondContact O-N 3.22Å; V594-M597 PolarHBondContact O-N 3.37Å; V594-M597 VanDerWaalsContact O-N 3.14Å; V594-D598 VanDerWaalsContact O-CG 3.3Å; V594-D598 PolarHBondContact O-N 3.29Å
595G97.8Very high97.4Very high1 Ų120.2 Ų20.21%0.0110%0.095CC..Hα-helixtrans-57.9-44.4-179.100000113.8D591 M592 D598D591-G595 PolarHBondContact O-N 3.4Å; M592-G595 PolarHBondContact O-N 3.25Å; G595-D598 PolarHBondContact O-N 3.22Å
596V98.4Very high97.4Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-66-40.3177.6172.20000111T541 Y575 M592 V594 D598 L599 P656 L658T541-V596 HydrophobicContact CG2-CG2 4.14Å; Y575-V596 HydrophobicContact CD1-CG2 3.97Å; Y575-V596 HydrophobicContact CD2-CG1 3.67Å; Y575-V596 HydrophobicContact CD2-CG2 4.02Å; Y575-V596 HydrophobicContact CE1-CG2 4.27Å; Y575-V596 HydrophobicContact CE2-CG1 4.18Å; Y575-V596 HydrophobicContact CE2-CG2 4.32Å; Y575-V596 HydrophobicContact CG-CG1 4.13Å; Y575-V596 HydrophobicContact CG-CG2 3.83Å; M592-V596 HydrophobicContact CE-CG2 4.25Å; M592-V596 HydrophobicContact CG-CG2 4.04Å; M592-V596 WeakPolarHBondContact O-CB 3.22Å; M592-V596 VanDerWaalsContact O-CG2 3.3Å; M592-V596 WeakPolarHBondContact O-CG2 3.43Å; M592-V596 PolarHBondContact O-N 3.25Å; V594-V596 PolarHBondContact O-N 3.22Å; V596-D598 VanDerWaalsContact C-N 3.32Å; V596-D598 PolarHBondContact O-N 2.46Å; V596-L599 VanDerWaalsContact O-CB 3.31Å; V596-L599 WeakPolarHBondContact O-CB 3.48Å; V596-L599 WeakPolarHBondContact O-CG 3.34Å; V596-L599 PolarHBondContact O-N 3.3Å; V596-P656 HydrophobicContact CG1-CB 3.92Å; V596-P656 WeakPolarHBondContact O-CB 3.3Å; V596-P656 VanDerWaalsContact O-CG 3.27Å; V596-P656 WeakPolarHBondContact O-CG 3.49Å; V596-L658 HydrophobicContact CG1-CB 4.17Å
597M97.3Very high97.3Very high27 Ų2719.8 Ų19.813%0.1339%0.094CC..Hα-helixtrans-66.9-34.1178.8-74.7-54.8-50.700112.8S593 V594 L599 R600 R689S593-M597 WeakPolarHBondContact O-CB 3.47Å; S593-M597 WeakPolarHBondContact O-CG 3.49Å; S593-M597 PolarHBondContact O-N 3.02Å; V594-M597 PolarHBondContact O-N 3.37Å; V594-M597 VanDerWaalsContact O-N 3.14Å; M597-L599 PolarHBondContact O-N 3.4Å; M597-R600 WeakPolarHBondContact O-CB 3.45Å; M597-R600 WeakPolarHBondContact O-CD 3.49Å; M597-R600 WeakPolarHBondContact O-CG 3.45Å; M597-R600 PolarHBondContact O-N 3.1Å; M597-R689 VanDerWaalsContact CE-NE 3.34Å; M597-R689 PolarHBondContact SD-NH1 2.99Å
598D97.6Very high97.2Very high12 Ų1224.8 Ų24.86%0.06412%0.117CC..Hα-helixtrans-66-19.6177.9-73.2-17.1000113.2R534 F538 V594 G595 V596 R600 N601R534-D598 IonicContact CZ-OD1 3.43Å; R534-D598 IonicContact CZ-OD2 3.35Å; R534-D598 VanDerWaalsContact CZ-OD2 3.3Å; R534-D598 IonicContact NE-OD1 2.78Å; R534-D598 IonicContact NE-OD2 3.88Å; R534-D598 PolarHBondContact NE-OD2 3.34Å; R534-D598 IonicContact NH2-OD1 3.21Å; R534-D598 PolarHBondContact NH2-OD1 2.86Å; R534-D598 IonicContact NH2-OD2 3.33Å; R534-D598 PolarHBondContact NH2-OD2 2.86Å; R534-D598 VanDerWaalsContact NH2-OD2 3.08Å; F538-D598 HydrophobicContact CD2-CB 3.57Å; F538-D598 HydrophobicContact CE2-CB 3.77Å; V594-D598 VanDerWaalsContact O-CG 3.3Å; V594-D598 PolarHBondContact O-N 3.29Å; G595-D598 PolarHBondContact O-N 3.22Å; V596-D598 VanDerWaalsContact C-N 3.32Å; V596-D598 PolarHBondContact O-N 2.46Å; D598-R600 PolarHBondContact O-N 2.85Å; D598-N601 WeakPolarHBondContact O-CB 3.42Å; D598-N601 PolarHBondContact O-N 3.01Å
599L98.3Very high96.9Very high0 Ų025.3 Ų25.30%012%0.122CC..G310 helixtrans-60-17.5174.5-60.8178.5000113.2F538 L542 L545 Y575 V596 M597 N601 V602 P656F538-L599 HydrophobicContact CD2-CD2 4.49Å; F538-L599 HydrophobicContact CE2-CD2 4Å; L542-L599 HydrophobicContact CB-CD2 4.48Å; L545-L599 HydrophobicContact CB-CD1 4.26Å; L545-L599 HydrophobicContact CB-CD2 4.33Å; L545-L599 HydrophobicContact CD2-CB 4.15Å; L545-L599 HydrophobicContact CD2-CD1 4.19Å; L545-L599 HydrophobicContact CD2-CD2 3.81Å; L545-L599 HydrophobicContact CD2-CG 4.26Å; Y575-L599 HydrophobicContact CE2-CD1 3.72Å; V596-L599 VanDerWaalsContact O-CB 3.31Å; V596-L599 WeakPolarHBondContact O-CB 3.48Å; V596-L599 WeakPolarHBondContact O-CG 3.34Å; V596-L599 PolarHBondContact O-N 3.3Å; M597-L599 PolarHBondContact O-N 3.4Å; L599-N601 PolarHBondContact O-N 2.63Å; L599-V602 HydrophobicContact CD2-CG2 4.36Å; L599-V602 VanDerWaalsContact O-CB 3.3Å; L599-V602 WeakPolarHBondContact O-CB 3.27Å; L599-V602 PolarHBondContact O-N 3.48Å; L599-P656 HydrophobicContact CB-CB 4.21Å; L599-P656 HydrophobicContact CB-CG 4.17Å
600R96.8Very high96.3Very high155 Ų15531.9 Ų31.959%0.58516%0.162SC*.G310 helixtrans-60.6-23.3172.477-171.3178.6171-4113.2M597 D598 P656M597-R600 WeakPolarHBondContact O-CB 3.45Å; M597-R600 WeakPolarHBondContact O-CD 3.49Å; M597-R600 WeakPolarHBondContact O-CG 3.45Å; M597-R600 PolarHBondContact O-N 3.1Å; D598-R600 PolarHBondContact O-N 2.85Å; R600-P656 HydrophobicContact CB-CG 4.32Å
601N96.1Very high95.5Very high60 Ų6033.4 Ų33.432%0.32117%0.172SC..G310 helixtrans-88.16.6177.9-59.1-19.8000112D598 L599 G627 F628D598-N601 WeakPolarHBondContact O-CB 3.42Å; D598-N601 PolarHBondContact O-N 3.01Å; L599-N601 PolarHBondContact O-N 2.63Å; N601-G627 WeakPolarHBondContact O-CA 3.42Å; N601-F628 PolarHBondContact O-N 3.38Å; N601-F628 VanDerWaalsContact O-N 3.13Å
602V98.3Very high94.4Very high0 Ų036.6 Ų36.60%021%0.205CC..EExtended strand (participates in β ladder)trans-98.6134.4177.1-178.10000109.4F538 L542 L545 L599 F604 F628 V630F538-V602 HydrophobicContact CE2-CG2 4.15Å; F538-V602 HydrophobicContact CZ-CG2 3.64Å; L542-V602 HydrophobicContact CD1-CG1 3.95Å; L542-V602 HydrophobicContact CD1-CG2 3.85Å; L545-V602 HydrophobicContact CD2-CB 4.26Å; L545-V602 HydrophobicContact CD2-CG1 4.12Å; L545-V602 HydrophobicContact CD2-CG2 4.49Å; L599-V602 HydrophobicContact CD2-CG2 4.36Å; L599-V602 VanDerWaalsContact O-CB 3.3Å; L599-V602 WeakPolarHBondContact O-CB 3.27Å; L599-V602 PolarHBondContact O-N 3.48Å; V602-F604 HydrophobicContact CG1-CE2 4.47Å; V602-F628 WeakPolarHBondContact CA-O 3.27Å; V602-V630 HydrophobicContact CG1-CG2 3.98Å
603T98.1Very high93.5Very high32 Ų3244 Ų4420%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-122.8143171.253.60000110.5F628 N629 V630 L651 L652T603-F628 PolarHBondContact N-O 2.9Å; T603-N629 CarbonylContact O-C 3.53Å; T603-N629 WeakPolarHBondContact O-CA 3.28Å; T603-N629 PolarHBondContact OG1-ND2 2.82Å; T603-V630 PolarHBondContact O-N 2.93Å; T603-L651 HydrophobicContact CG2-CB 4.4Å; T603-L652 CarbonylContact C-O 3.59Å; T603-L652 WeakPolarHBondContact CA-O 3.44Å
604F98.4Very high92.4Very high1 Ų147.5 Ų47.50%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-100.3142.8173.7-72.5-79.4000110.9L545 I546 F549 V602 V630 V632 L652 V654L545-F604 HydrophobicContact CD1-CE2 4.41Å; L545-F604 HydrophobicContact CD2-CE2 4.05Å; L545-F604 HydrophobicContact CD2-CZ 4.15Å; L545-F604 HydrophobicContact CG-CE2 4.05Å; L545-F604 HydrophobicContact CG-CZ 3.92Å; I546-F604 HydrophobicContact CG1-CE1 4.08Å; I546-F604 HydrophobicContact CG1-CZ 4.25Å; F549-F604 HydrophobicContact CB-CE1 3.91Å; F549-F604 HydrophobicContact CB-CE2 3.96Å; F549-F604 HydrophobicContact CB-CZ 3.6Å; F549-F604 HydrophobicContact CD1-CB 4.42Å; F549-F604 AromaticContact CD1-CD1 3.42Å; F549-F604 HydrophobicContact CD1-CD1 3.42Å; F549-F604 VanDerWaalsContact CD1-CD1 3.42Å; F549-F604 HydrophobicContact CD1-CD2 4.27Å; F549-F604 AromaticContact CD1-CE1 3.57Å; F549-F604 HydrophobicContact CD1-CE1 3.57Å; F549-F604 HydrophobicContact CD1-CE2 4.39Å; F549-F604 AromaticContact CD1-CG 3.79Å; F549-F604 HydrophobicContact CD1-CG 3.79Å; F549-F604 HydrophobicContact CD1-CZ 4.06Å; F549-F604 AromaticContact CD2-CD2 3.99Å; F549-F604 HydrophobicContact CD2-CD2 3.99Å; F549-F604 HydrophobicContact CD2-CE2 4.13Å; F549-F604 HydrophobicContact CD2-CG 4.22Å; F549-F604 HydrophobicContact CD2-CZ 4.49Å; F549-F604 HydrophobicContact CE1-CB 3.86Å; F549-F604 AromaticContact CE1-CD1 3.62Å; F549-F604 HydrophobicContact CE1-CD1 3.62Å; F549-F604 HydrophobicContact CE1-CD2 4.45Å; F549-F604 HydrophobicContact CE1-CE1 4.26Å; F549-F604 AromaticContact CE1-CG 3.73Å; F549-F604 HydrophobicContact CE1-CG 3.73Å; F549-F604 HydrophobicContact CE2-CB 4.27Å; F549-F604 HydrophobicContact CE2-CD2 4.18Å; F549-F604 HydrophobicContact CE2-CG 4.15Å; F549-F604 AromaticContact CG-CD1 3.92Å; F549-F604 HydrophobicContact CG-CD1 3.92Å; F549-F604 HydrophobicContact CG-CD2 4Å; F549-F604 AromaticContact CG-CE1 3.8Å; F549-F604 HydrophobicContact CG-CE1 3.8Å; F549-F604 AromaticContact CG-CE2 3.89Å; F549-F604 HydrophobicContact CG-CE2 3.89Å; F549-F604 HydrophobicContact CG-CG 4.01Å; F549-F604 AromaticContact CG-CZ 3.79Å; F549-F604 HydrophobicContact CG-CZ 3.79Å; F549-F604 HydrophobicContact CZ-CB 3.75Å; F549-F604 HydrophobicContact CZ-CD1 4.28Å; F549-F604 HydrophobicContact CZ-CD2 4.4Å; F549-F604 AromaticContact CZ-CG 3.9Å; F549-F604 HydrophobicContact CZ-CG 3.9Å; V602-F604 HydrophobicContact CG1-CE2 4.47Å; F604-V630 CarbonylContact C-O 3.49Å; F604-V630 WeakPolarHBondContact CA-O 3.41Å; F604-V630 HydrophobicContact CD1-CB 3.69Å; F604-V630 HydrophobicContact CD1-CG1 3.95Å; F604-V630 HydrophobicContact CE1-CB 3.74Å; F604-V630 HydrophobicContact CE1-CG1 3.77Å; F604-V630 HydrophobicContact CE1-CG2 4.26Å; F604-V632 HydrophobicContact CD1-CG2 3.76Å; F604-V632 HydrophobicContact CE1-CG2 4.17Å; F604-L652 HydrophobicContact CB-CB 4.16Å; F604-L652 PolarHBondContact N-O 3.48Å; F604-L652 PolarHBondContact O-N 3.23Å; F604-V654 HydrophobicContact CD2-CG2 3.69Å; F604-V654 HydrophobicContact CE2-CG2 3.59Å
605K96.9Very high91.5Very high71 Ų7151.2 Ų51.231%0.30928%0.281SS..EExtended strand (participates in β ladder)trans-127119.8168.6-177176.3-179.1170.40108.4T607 V630 R631 V632 L651K605-T607 HydrophobicContact CD-CG2 4.42Å; K605-T607 HydrophobicContact CG-CG2 4.17Å; K605-V630 PolarHBondContact N-O 2.94Å; K605-R631 HydrophobicContact CB-CG 4.38Å; K605-R631 CarbonylContact O-C 3.6Å; K605-R631 VanDerWaalsContact O-CA 3.27Å; K605-R631 WeakPolarHBondContact O-CA 3.45Å; K605-V632 PolarHBondContact O-N 3.08Å; K605-L651 HydrophobicContact CB-CD2 4.1Å; K605-L651 HydrophobicContact CD-CD2 4.39Å; K605-L651 HydrophobicContact CG-CD2 4.49Å
606V96.1Very high90.8Very high2 Ų254.4 Ų54.41%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-81.2132.6174.8-172.40000108.3F549 L553 V634 F639 L642 I646 L652F549-V606 HydrophobicContact CZ-CG2 4.38Å; L553-V606 HydrophobicContact CD1-CG2 4.4Å; L553-V606 HydrophobicContact CD2-CG1 4.15Å; L553-V606 HydrophobicContact CD2-CG2 3.76Å; V606-V634 HydrophobicContact CG1-CG1 3.93Å; V606-V634 HydrophobicContact CG1-CG2 3.78Å; V606-F639 HydrophobicContact CG1-CD2 4.32Å; V606-F639 HydrophobicContact CG1-CE2 4.43Å; V606-L642 HydrophobicContact CB-CD1 4.25Å; V606-L642 HydrophobicContact CG1-CD1 3.55Å; V606-I646 HydrophobicContact CB-CG2 3.77Å; V606-I646 HydrophobicContact CG2-CG2 3.88Å; V606-L652 HydrophobicContact CG2-CD1 4Å
607T94.6Very high90.3Very high30 Ų3054.6 Ų54.618%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-129.8151.8-17955.80000110.5K605 R631 V632 P633 V634K605-T607 HydrophobicContact CD-CG2 4.42Å; K605-T607 HydrophobicContact CG-CG2 4.17Å; T607-R631 HydrophobicContact CG2-CB 4.35Å; T607-R631 HydrophobicContact CG2-CG 4.35Å; T607-V632 PolarHBondContact N-O 3.35Å; T607-P633 CarbonylContact O-C 3.55Å; T607-P633 VanDerWaalsContact O-CA 3.27Å; T607-P633 WeakPolarHBondContact O-CA 3.07Å; T607-V634 PolarHBondContact O-N 3.34Å
608Q93.2Very high90Very high107 Ų10754.6 Ų54.650%0.530%0.299SS..EExtended strand (participates in β ladder)trans-71.2132.3169.3-174.1169.72.700109.9F639Q608-F639 HydrophobicContact CB-CB 4.28Å; Q608-F639 HydrophobicContact CB-CD1 3.96Å; Q608-F639 HydrophobicContact CB-CD2 4.17Å; Q608-F639 HydrophobicContact CB-CE1 4.3Å; Q608-F639 HydrophobicContact CB-CG 3.87Å; Q608-F639 HydrophobicContact CG-CB 4.38Å; Q608-F639 HydrophobicContact CG-CG 4.44Å
609A89.5Confident89.9Confident13 Ų1354.1 Ų54.111%0.10730%0.296CS..  trans-71.5139.9174.200000110.9S611 M617 P633 V634A609-S611 VanDerWaalsContact C-N 3.29Å; A609-S611 PolarHBondContact O-N 3.48Å; A609-M617 HydrophobicContact CB-CE 4.4Å; A609-M617 HydrophobicContact CB-SD 3.3Å; A609-M617 WeakPolarHBondContact CB-SD 3.29Å; A609-P633 HydrophobicContact CB-CB 3.91Å; A609-V634 WeakPolarHBondContact CB-O 3.5Å; A609-V634 PolarHBondContact N-O 3.19Å
610T85.1Confident89.8Confident137 Ų13756.4 Ų56.484%0.8431%0.31SS*.SBendtrans-65.1-34.9179.2-46.40000111.9
611S82.3Confident89.9Confident34 Ų3449.3 Ų49.324%0.23828%0.284CS..SBendtrans-149.2173.3179.683.30000111.2A609 F613 D616A609-S611 VanDerWaalsContact C-N 3.29Å; A609-S611 PolarHBondContact O-N 3.48Å; S611-F613 PolarHBondContact O-N 3.04Å; S611-F613 WeakPolarHBondContact OG-CB 3.32Å; S611-F613 WeakPolarHBondContact OG-CD2 3.43Å; S611-F613 PolarHBondContact OG-N 2.99Å; S611-D616 WeakPolarHBondContact CB-OD2 3.47Å; S611-D616 PolarHBondContact OG-OD2 3.01Å
612G73.8Confident89.9Confident67 Ų6748.7 Ų48.769%0.69128%0.283SS*.SBendtrans-81.15.9171.200000114.6
613F78.3Confident89.6Confident155 Ų15550.7 Ų50.768%0.6830%0.303SS*.SBendtrans-73.8139.3178.6-70.7-72.8000111.1S611 P615 D616 M617S611-F613 PolarHBondContact O-N 3.04Å; S611-F613 WeakPolarHBondContact OG-CB 3.32Å; S611-F613 WeakPolarHBondContact OG-CD2 3.43Å; S611-F613 PolarHBondContact OG-N 2.99Å; F613-P615 VanDerWaalsContact C-CD 3.46Å; F613-D616 PolarHBondContact O-N 3.1Å; F613-M617 PolarHBondContact O-N 3.48Å
614N75Confident89.4Confident78 Ų7852.1 Ų52.142%0.41731%0.309SS..G310 helixtrans-52.1-42.4-175.5-75.5-10.2000114.9D616 M617N614-D616 VanDerWaalsContact C-N 3.29Å; N614-D616 PolarHBondContact O-N 2.98Å; N614-M617 WeakPolarHBondContact O-CB 3.46Å; N614-M617 PolarHBondContact O-N 3.16Å
615P79.6Confident89.1Confident93 Ų9353.9 Ų53.960%0.60432%0.316SS*.G310 helixtrans-62.2-35178.8-2435.9000113.5F613 M617 L618F613-P615 VanDerWaalsContact C-CD 3.46Å; P615-M617 PolarHBondContact O-N 2.95Å; P615-L618 PolarHBondContact O-N 2.99Å
616D83.3Confident88.6Confident68 Ų6855.8 Ų55.836%0.36433%0.334SS..G310 helixtrans-74.5-14.3-180-65.4-9.3000112.4S611 F613 N614 P633S611-D616 WeakPolarHBondContact CB-OD2 3.47Å; S611-D616 PolarHBondContact OG-OD2 3.01Å; F613-D616 PolarHBondContact O-N 3.1Å; N614-D616 VanDerWaalsContact C-N 3.29Å; N614-D616 PolarHBondContact O-N 2.98Å; D616-P633 VanDerWaalsContact O-CB 3.29Å; D616-P633 WeakPolarHBondContact O-CB 3.48Å; D616-P633 WeakPolarHBondContact O-CG 3.25Å
617M86.8Confident88.5Confident5 Ų557 Ų573%0.02535%0.347CS..G310 helixtrans-92.4-5.1177.3-66-58.8-53.900113.1M93 A96 A609 F613 N614 P615 P635M93-M617 HydrophobicContact CB-CE 3.99Å; M93-M617 HydrophobicContact CG-CE 4.3Å; A96-M617 HydrophobicContact CB-CB 3.72Å; A609-M617 HydrophobicContact CB-CE 4.4Å; A609-M617 HydrophobicContact CB-SD 3.3Å; A609-M617 WeakPolarHBondContact CB-SD 3.29Å; F613-M617 PolarHBondContact O-N 3.48Å; N614-M617 WeakPolarHBondContact O-CB 3.46Å; N614-M617 PolarHBondContact O-N 3.16Å; P615-M617 PolarHBondContact O-N 2.95Å; M617-P635 HydrophobicContact CE-CG 3.75Å; M617-P635 HydrophobicContact SD-CG 4.38Å
618L92.4Very high88.6Confident27 Ų2755.9 Ų55.914%0.14134%0.34CS..SBendtrans-81.5143.3-178-71.3172.7000112.1A96 L127 H130 P615 P633A96-L618 WeakPolarHBondContact O-CD2 3.43Å; L127-L618 HydrophobicContact CD2-CD2 4.2Å; H130-L618 WeakPolarHBondContact NE2-CB 3.2Å; P615-L618 PolarHBondContact O-N 2.99Å; L618-P633 WeakPolarHBondContact O-CD 3.32Å; L618-P633 WeakPolarHBondContact O-CG 3.31Å
619P95.9Very high88.8Confident1 Ų152.1 Ų52.11%0.00632%0.323CS..  trans-60.8144.8174.3-22.733.4000113.2L127 H130 I131 Q134 I546 V630 R631L127-P619 HydrophobicContact CD1-CG 4.4Å; L127-P619 HydrophobicContact CD2-CG 4.07Å; H130-P619 PolarHBondContact CD2-O 3.32Å; H130-P619 PolarHBondContact NE2-O 3.28Å; H130-P619 VanDerWaalsContact NE2-O 3.07Å; I131-P619 HydrophobicContact CD1-CB 4.44Å; Q134-P619 PolarHBondContact NE2-O 3.03Å; I546-P619 HydrophobicContact CG2-CB 3.67Å; I546-P619 HydrophobicContact CG2-CG 3.6Å; P619-V630 HydrophobicContact CB-CG1 4.14Å; P619-R631 CarbonylContact C-O 3.51Å; P619-R631 VanDerWaalsContact CA-O 3.26Å; P619-R631 WeakPolarHBondContact CA-O 3.3Å
620V96.4Very high89.2Confident48 Ų4851.5 Ų51.529%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-121128.3178-177.70000110.7Q134 R631Q134-V620 VanDerWaalsContact OE1-CA 3.26Å; V620-R631 HydrophobicContact CB-CB 4.48Å; V620-R631 PolarHBondContact N-O 3.21Å; V620-R631 PolarHBondContact O-N 3.05Å
621I97.4Very high89.8Confident6 Ų649.9 Ų49.93%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-97138.4179.6-43.7168.7000109.2I131 Q134 F135 L138 L542 I546 F628I131-I621 HydrophobicContact CB-CD1 4.22Å; I131-I621 HydrophobicContact CD1-CD1 3.93Å; I131-I621 HydrophobicContact CD1-CG1 4.08Å; I131-I621 HydrophobicContact CG2-CD1 3.52Å; Q134-I621 HydrophobicContact CB-CD1 4.06Å; Q134-I621 HydrophobicContact CB-CG1 4.42Å; F135-I621 HydrophobicContact CB-CD1 4.35Å; L138-I621 HydrophobicContact CD1-CB 4.12Å; L138-I621 HydrophobicContact CD1-CG2 3.81Å; L542-I621 HydrophobicContact CD2-CD1 4.19Å; L542-I621 HydrophobicContact CD2-CG2 4.47Å; I546-I621 HydrophobicContact CD1-CD1 4.46Å; I546-I621 HydrophobicContact CD1-CG1 4.3Å; I621-F628 HydrophobicContact CG2-CB 4.38Å; I621-F628 HydrophobicContact CG2-CD1 3.95Å; I621-F628 HydrophobicContact CG2-CG 4.49Å
622T95.9Very high90.4Very high48 Ų4848.4 Ų48.429%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-140.8166.617457.40000109.6F628 N629T622-F628 CarbonylContact O-C 3.54Å; T622-F628 WeakPolarHBondContact O-CA 3.3Å; T622-N629 PolarHBondContact N-O 3.27Å; T622-N629 PolarHBondContact O-N 2.76Å; T622-N629 PolarHBondContact OG1-O 2.96Å; T622-N629 VanDerWaalsContact OG1-O 3.09Å
623G93.6Very high91.4Very high42 Ų4245.7 Ų45.743%0.43326%0.256SS..EExtended strand (participates in β ladder)trans101.2-158.7-177.900000112.3
624N93.1Very high92Very high61 Ų6138.3 Ų38.333%0.32622%0.224SC..EExtended strand (participates in β ladder)trans-148.2-175.6-174.163.633.1000110.6E142 T626 G627 F628E142-N624 HydrophobicContact CG-CB 4.23Å; N624-T626 PolarHBondContact O-N 3.22Å; N624-T626 PolarHBondContact OD1-N 2.85Å; N624-T626 PolarHBondContact OD1-OG1 3.38Å; N624-G627 PolarHBondContact N-O 2.74Å; N624-G627 CarbonylContact O-C 3.53Å; N624-G627 VanDerWaalsContact O-C 3.26Å; N624-G627 PolarHBondContact O-N 2.61Å; N624-F628 WeakPolarHBondContact O-CD2 3.39Å; N624-F628 WeakPolarHBondContact O-CE2 3.36Å; N624-F628 VanDerWaalsContact O-CZ 3.29Å; N624-F628 WeakPolarHBondContact O-CZ 3.17Å
625R92.1Very high92.8Very high38 Ų3835.9 Ų35.914%0.14321%0.212CC..THydrogen-bonded Turntrans-56.2-18.1-177.9-73.1168.1-179.5112-16.4116L139 E142 D143 Y178 Q531 D535L139-R625 HydrophobicContact CD2-CG 4.08Å; E142-R625 IonicContact OE1-NH1 2.85Å; E142-R625 WeakPolarHBondContact OE2-CD 3.4Å; E142-R625 VanDerWaalsContact OE2-CG 3.28Å; E142-R625 WeakPolarHBondContact OE2-CG 3.26Å; E142-R625 IonicContact OE2-CZ 3.1Å; E142-R625 PolarHBondContact OE2-N 3.28Å; E142-R625 IonicContact OE2-NE 2.99Å; E142-R625 IonicContact OE2-NH1 3.22Å; E142-R625 PolarHBondContact OE2-NH1 3.48Å; D143-R625 IonicContact OD1-CZ 2.61Å; D143-R625 IonicContact OD1-NH1 3.51Å; D143-R625 PolarHBondContact OD1-NH1 3.46Å; D143-R625 IonicContact OD1-NH2 3.42Å; D143-R625 IonicContact OD2-CZ 3.65Å; D143-R625 IonicContact OD2-NH1 2.7Å; D143-R625 PolarHBondContact OD2-NH1 3.27Å; D143-R625 IonicContact OD2-NH2 3.19Å; D143-R625 PolarHBondContact OD2-NH2 3.49Å; Y178-R625 PolarHBondContact OH-NH2 2.86Å; Q531-R625 VanDerWaalsContact NE2-CD 3.32Å; D535-R625 IonicContact OD1-NE 3.72Å; D535-R625 PolarHBondContact OD1-NE 3.21Å; D535-R625 IonicContact OD2-CZ 3.52Å; D535-R625 VanDerWaalsContact OD2-CZ 3.26Å; D535-R625 IonicContact OD2-NE 2.91Å; D535-R625 PolarHBondContact OD2-NE 2.95Å; D535-R625 IonicContact OD2-NH2 3.63Å; D535-R625 PolarHBondContact OD2-NH2 2.98Å
626T87.2Confident93.2Very high112 Ų11232.3 Ų32.369%0.68719%0.192SC*.THydrogen-bonded Turntrans-84-24.3176.472.10000112.8N624N624-T626 PolarHBondContact O-N 3.22Å; N624-T626 PolarHBondContact OD1-N 2.85Å; N624-T626 PolarHBondContact OD1-OG1 3.38Å
627G93.2Very high93.4Very high28 Ų2834.5 Ų34.529%0.28921%0.208SC..EExtended strand (participates in β ladder)trans-176.2129177.500000112.1N601 N624N601-G627 WeakPolarHBondContact O-CA 3.42Å; N624-G627 PolarHBondContact N-O 2.74Å; N624-G627 CarbonylContact O-C 3.53Å; N624-G627 VanDerWaalsContact O-C 3.26Å; N624-G627 PolarHBondContact O-N 2.61Å
628F96.6Very high93.6Very high6 Ų635.4 Ų35.43%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-106.2138177.9-68.2-80.1000110.7F135 L138 F538 N601 V602 T603 I621 T622 N624F135-F628 HydrophobicContact CD2-CE1 4.16Å; F135-F628 HydrophobicContact CD2-CZ 4.15Å; F135-F628 HydrophobicContact CE2-CD1 4.44Å; F135-F628 HydrophobicContact CE2-CD2 4.33Å; F135-F628 AromaticContact CE2-CE1 3.77Å; F135-F628 HydrophobicContact CE2-CE1 3.77Å; F135-F628 AromaticContact CE2-CE2 3.63Å; F135-F628 HydrophobicContact CE2-CE2 3.63Å; F135-F628 AromaticContact CE2-CZ 3.32Å; F135-F628 HydrophobicContact CE2-CZ 3.32Å; F135-F628 HydrophobicContact CZ-CE2 4.26Å; F135-F628 HydrophobicContact CZ-CZ 4.01Å; L138-F628 HydrophobicContact CD1-CD1 4.24Å; L138-F628 HydrophobicContact CD1-CE1 4.11Å; F538-F628 HydrophobicContact CD1-CD2 4.42Å; F538-F628 HydrophobicContact CD1-CE2 4.14Å; F538-F628 AromaticContact CE1-CD2 3.36Å; F538-F628 HydrophobicContact CE1-CD2 3.36Å; F538-F628 AromaticContact CE1-CE2 3.48Å; F538-F628 HydrophobicContact CE1-CE2 3.48Å; F538-F628 VanDerWaalsContact CE1-CE2 3.48Å; F538-F628 HydrophobicContact CE1-CG 4.31Å; F538-F628 AromaticContact CZ-CD2 3.73Å; F538-F628 HydrophobicContact CZ-CD2 3.73Å; F538-F628 HydrophobicContact CZ-CE2 4.19Å; N601-F628 PolarHBondContact O-N 3.38Å; N601-F628 VanDerWaalsContact O-N 3.13Å; V602-F628 WeakPolarHBondContact CA-O 3.27Å; T603-F628 PolarHBondContact N-O 2.9Å; I621-F628 HydrophobicContact CG2-CB 4.38Å; I621-F628 HydrophobicContact CG2-CD1 3.95Å; I621-F628 HydrophobicContact CG2-CG 4.49Å; T622-F628 CarbonylContact O-C 3.54Å; T622-F628 WeakPolarHBondContact O-CA 3.3Å; N624-F628 WeakPolarHBondContact O-CD2 3.39Å; N624-F628 WeakPolarHBondContact O-CE2 3.36Å; N624-F628 VanDerWaalsContact O-CZ 3.29Å; N624-F628 WeakPolarHBondContact O-CZ 3.17Å
629N97.3Very high93.6Very high28 Ų2835.1 Ų35.115%0.1521%0.21CC..EExtended strand (participates in β ladder)trans-110.5123.3171.7-171.8-95.2000109.9T603 T622 L651T603-N629 CarbonylContact O-C 3.53Å; T603-N629 WeakPolarHBondContact O-CA 3.28Å; T603-N629 PolarHBondContact OG1-ND2 2.82Å; T622-N629 PolarHBondContact N-O 3.27Å; T622-N629 PolarHBondContact O-N 2.76Å; T622-N629 PolarHBondContact OG1-O 2.96Å; T622-N629 VanDerWaalsContact OG1-O 3.09Å; N629-L651 WeakPolarHBondContact ND2-CD2 3.41Å
630V98.2Very high93.4Very high0 Ų040 Ų400%024%0.236CC..EExtended strand (participates in β ladder)trans-105.6114.7178.5-175.50000109.3L542 I546 V602 T603 F604 K605 P619 V632L542-V630 HydrophobicContact CD1-CG2 4.21Å; I546-V630 HydrophobicContact CD1-CB 4.47Å; I546-V630 HydrophobicContact CD1-CG1 3.81Å; I546-V630 HydrophobicContact CD1-CG2 3.8Å; I546-V630 HydrophobicContact CG1-CG1 3.94Å; I546-V630 HydrophobicContact CG1-CG2 4.06Å; I546-V630 HydrophobicContact CG2-CG1 4.2Å; V602-V630 HydrophobicContact CG1-CG2 3.98Å; T603-V630 PolarHBondContact O-N 2.93Å; F604-V630 CarbonylContact C-O 3.49Å; F604-V630 WeakPolarHBondContact CA-O 3.41Å; F604-V630 HydrophobicContact CD1-CB 3.69Å; F604-V630 HydrophobicContact CD1-CG1 3.95Å; F604-V630 HydrophobicContact CE1-CB 3.74Å; F604-V630 HydrophobicContact CE1-CG1 3.77Å; F604-V630 HydrophobicContact CE1-CG2 4.26Å; K605-V630 PolarHBondContact N-O 2.94Å; P619-V630 HydrophobicContact CB-CG1 4.14Å; V630-V632 HydrophobicContact CG1-CG2 4.04Å
631R96.9Very high93.1Very high102 Ų10241.5 Ų41.539%0.38525%0.245SC..EExtended strand (participates in β ladder)trans-84.4127.7171.1-65.8-175.4-68.2157.4-3.1109.6K605 T607 P619 V620K605-R631 HydrophobicContact CB-CG 4.38Å; K605-R631 CarbonylContact O-C 3.6Å; K605-R631 VanDerWaalsContact O-CA 3.27Å; K605-R631 WeakPolarHBondContact O-CA 3.45Å; T607-R631 HydrophobicContact CG2-CB 4.35Å; T607-R631 HydrophobicContact CG2-CG 4.35Å; P619-R631 CarbonylContact C-O 3.51Å; P619-R631 VanDerWaalsContact CA-O 3.26Å; P619-R631 WeakPolarHBondContact CA-O 3.3Å; V620-R631 HydrophobicContact CB-CB 4.48Å; V620-R631 PolarHBondContact N-O 3.21Å; V620-R631 PolarHBondContact O-N 3.05Å
632V95.8Very high92.9Very high3 Ų341.5 Ų41.52%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-117.7103.5-179.2-178.50000108.7M93 F549 L553 F604 K605 T607 V630M93-V632 HydrophobicContact CE-CG1 3.97Å; F549-V632 HydrophobicContact CD1-CG2 3.83Å; F549-V632 HydrophobicContact CE1-CB 4.13Å; F549-V632 HydrophobicContact CE1-CG1 4.35Å; F549-V632 HydrophobicContact CE1-CG2 3.8Å; L553-V632 HydrophobicContact CD2-CG1 4.24Å; F604-V632 HydrophobicContact CD1-CG2 3.76Å; F604-V632 HydrophobicContact CE1-CG2 4.17Å; K605-V632 PolarHBondContact O-N 3.08Å; T607-V632 PolarHBondContact N-O 3.35Å; V630-V632 HydrophobicContact CG1-CG2 4.04Å
633P93.8Very high92.8Very high11 Ų1140.7 Ų40.77%0.07124%0.241CC..EExtended strand (participates in β ladder)trans-69136.5178.5-18.932.6000111.8T607 A609 D616 L618T607-P633 CarbonylContact O-C 3.55Å; T607-P633 VanDerWaalsContact O-CA 3.27Å; T607-P633 WeakPolarHBondContact O-CA 3.07Å; A609-P633 HydrophobicContact CB-CB 3.91Å; D616-P633 VanDerWaalsContact O-CB 3.29Å; D616-P633 WeakPolarHBondContact O-CB 3.48Å; D616-P633 WeakPolarHBondContact O-CG 3.25Å; L618-P633 WeakPolarHBondContact O-CD 3.32Å; L618-P633 WeakPolarHBondContact O-CG 3.31Å
634V92Very high92.8Very high0 Ų048 Ų480%026%0.255CS..EExtended strand (participates in β ladder)trans-127.3151.8170.5-590000110M93 L553 V606 T607 A609 F639 L642M93-V634 HydrophobicContact CE-CG1 4.01Å; M93-V634 HydrophobicContact SD-CG1 3.9Å; L553-V634 HydrophobicContact CD2-CG1 4.05Å; V606-V634 HydrophobicContact CG1-CG1 3.93Å; V606-V634 HydrophobicContact CG1-CG2 3.78Å; T607-V634 PolarHBondContact O-N 3.34Å; A609-V634 WeakPolarHBondContact CB-O 3.5Å; A609-V634 PolarHBondContact N-O 3.19Å; V634-F639 HydrophobicContact CG2-CB 3.81Å; V634-F639 HydrophobicContact CG2-CD2 3.77Å; V634-F639 HydrophobicContact CG2-CG 4.29Å; V634-L642 HydrophobicContact CG2-CD1 4.36Å
635P90.6Very high92.8Very high26 Ų2649.4 Ų49.417%0.16926%0.26CS..  trans-59.4147.4177.8-22.736.3000111.5M617 V637 M638 F639M617-P635 HydrophobicContact CE-CG 3.75Å; M617-P635 HydrophobicContact SD-CG 4.38Å; P635-V637 VanDerWaalsContact C-N 3.34Å; P635-V637 HydrophobicContact CB-CG2 4.36Å; P635-V637 PolarHBondContact O-N 3.02Å; P635-M638 HydrophobicContact CB-SD 4.11Å; P635-M638 VanDerWaalsContact CD-SD 3.53Å; P635-M638 HydrophobicContact CG-CE 4.42Å; P635-M638 HydrophobicContact CG-SD 3.6Å; P635-M638 CarbonylContact O-C 3.58Å; P635-M638 WeakPolarHBondContact O-CA 3.15Å; P635-M638 WeakPolarHBondContact O-CB 3.18Å; P635-M638 PolarHBondContact O-N 2.92Å; P635-F639 PolarHBondContact O-N 3.47Å
636G89.6Confident92.9Very high18 Ų1847.6 Ų47.619%0.18625%0.253CS..Hα-helixtrans-50.4-49.1-176.700000113.9M638 F639 D640G636-M638 PolarHBondContact O-N 3.29Å; G636-M638 VanDerWaalsContact O-N 3.07Å; G636-F639 WeakPolarHBondContact O-CA 3.39Å; G636-F639 WeakPolarHBondContact O-CB 3.48Å; G636-F639 PolarHBondContact O-N 3.31Å; G636-D640 PolarHBondContact O-N 3.39Å
637V87.6Confident93.2Very high115 Ų11545.2 Ų45.270%0.69724%0.235SC*.Hα-helixtrans-57.5-27.9177.1-62.90000114.1P635P635-V637 VanDerWaalsContact C-N 3.34Å; P635-V637 HydrophobicContact CB-CG2 4.36Å; P635-V637 PolarHBondContact O-N 3.02Å
638M89.1Confident93.2Very high23 Ų2350.6 Ų50.611%0.11326%0.257CS..Hα-helixtrans-86.5-36.6175.8-73.3159.161.400110.9M93 L557 P635 G636 D640 T641M93-M638 HydrophobicContact CB-CE 4.49Å; M93-M638 HydrophobicContact SD-CE 4.07Å; L557-M638 HydrophobicContact CD1-CB 3.97Å; L557-M638 HydrophobicContact CD1-CE 3.19Å; L557-M638 HydrophobicContact CD1-CG 3.98Å; L557-M638 HydrophobicContact CD1-SD 4.36Å; P635-M638 HydrophobicContact CB-SD 4.11Å; P635-M638 VanDerWaalsContact CD-SD 3.53Å; P635-M638 HydrophobicContact CG-CE 4.42Å; P635-M638 HydrophobicContact CG-SD 3.6Å; P635-M638 CarbonylContact O-C 3.58Å; P635-M638 WeakPolarHBondContact O-CA 3.15Å; P635-M638 WeakPolarHBondContact O-CB 3.18Å; P635-M638 PolarHBondContact O-N 2.92Å; G636-M638 PolarHBondContact O-N 3.29Å; G636-M638 VanDerWaalsContact O-N 3.07Å; M638-D640 VanDerWaalsContact C-N 3.3Å; M638-D640 PolarHBondContact O-N 2.97Å; M638-T641 PolarHBondContact O-N 2.78Å; M638-T641 PolarHBondContact O-OG1 3.41Å
639F92.6Very high92.9Very high21 Ų2151 Ų519%0.09226%0.262CS..Hα-helixtrans-58.8-42.9175.3-168.4-103.3000111.7V606 Q608 V634 P635 G636 T641 L642 Q647V606-F639 HydrophobicContact CG1-CD2 4.32Å; V606-F639 HydrophobicContact CG1-CE2 4.43Å; Q608-F639 HydrophobicContact CB-CB 4.28Å; Q608-F639 HydrophobicContact CB-CD1 3.96Å; Q608-F639 HydrophobicContact CB-CD2 4.17Å; Q608-F639 HydrophobicContact CB-CE1 4.3Å; Q608-F639 HydrophobicContact CB-CG 3.87Å; Q608-F639 HydrophobicContact CG-CB 4.38Å; Q608-F639 HydrophobicContact CG-CG 4.44Å; V634-F639 HydrophobicContact CG2-CB 3.81Å; V634-F639 HydrophobicContact CG2-CD2 3.77Å; V634-F639 HydrophobicContact CG2-CG 4.29Å; P635-F639 PolarHBondContact O-N 3.47Å; G636-F639 WeakPolarHBondContact O-CA 3.39Å; G636-F639 WeakPolarHBondContact O-CB 3.48Å; G636-F639 PolarHBondContact O-N 3.31Å; F639-T641 PolarHBondContact O-N 3.39Å; F639-T641 VanDerWaalsContact O-N 3.12Å; F639-L642 HydrophobicContact CD2-CD1 3.86Å; F639-L642 HydrophobicContact CE2-CD1 4.33Å; F639-L642 VanDerWaalsContact O-CB 3.3Å; F639-L642 WeakPolarHBondContact O-CB 3.45Å; F639-L642 PolarHBondContact O-N 2.98Å; F639-Q647 HydrophobicContact CD1-CG 4.35Å; F639-Q647 HydrophobicContact CE1-CB 3.97Å; F639-Q647 HydrophobicContact CE1-CG 3.96Å; F639-Q647 HydrophobicContact CZ-CB 4.01Å; F639-Q647 HydrophobicContact CZ-CG 4.19Å; F639-Q647 PolarHBondContact O-NE2 2.99Å
640D91.5Very high92.8Very high103 Ų10352.5 Ų52.555%0.55127%0.269SS*.THydrogen-bonded Turntrans-62.8-21.8-179.1-61.2-26000113G636 M638 Q647G636-D640 PolarHBondContact O-N 3.39Å; M638-D640 VanDerWaalsContact C-N 3.3Å; M638-D640 PolarHBondContact O-N 2.97Å; D640-Q647 PolarHBondContact O-NE2 2.84Å
641T90.9Very high92.7Very high80 Ų8056.9 Ų56.949%0.49129%0.292SS..THydrogen-bonded Turntrans-82.6-11.8177.366.90000114.1M638 F639M638-T641 PolarHBondContact O-N 2.78Å; M638-T641 PolarHBondContact O-OG1 3.41Å; F639-T641 PolarHBondContact O-N 3.39Å; F639-T641 VanDerWaalsContact O-N 3.12Å
642L93.5Very high92.7Very high7 Ų752.1 Ų52.14%0.03727%0.274CS..SBendtrans-74.4158.6-178.1-65.2170.7000111.7L557 L563 V606 V634 F639 I646 Q647L557-L642 HydrophobicContact CD2-CD2 3.63Å; L563-L642 HydrophobicContact CD1-CD2 4.49Å; L563-L642 HydrophobicContact CD2-CD2 3.86Å; V606-L642 HydrophobicContact CB-CD1 4.25Å; V606-L642 HydrophobicContact CG1-CD1 3.55Å; V634-L642 HydrophobicContact CG2-CD1 4.36Å; F639-L642 HydrophobicContact CD2-CD1 3.86Å; F639-L642 HydrophobicContact CE2-CD1 4.33Å; F639-L642 VanDerWaalsContact O-CB 3.3Å; F639-L642 WeakPolarHBondContact O-CB 3.45Å; F639-L642 PolarHBondContact O-N 2.98Å; L642-I646 HydrophobicContact CB-CB 4.43Å; L642-I646 HydrophobicContact CB-CG2 4.48Å; L642-I646 HydrophobicContact CD1-CG2 4.08Å; L642-Q647 HydrophobicContact CB-CG 4.08Å; L642-Q647 PolarHBondContact O-NE2 3.17Å
643P93.6Very high92.7Very high31 Ų3160.9 Ų60.920%0.20131%0.307CS..  trans-61.9150.4171.7-19.132.9000111.8L563 E645 I646 Q647L563-P643 HydrophobicContact CB-CG 3.88Å; L563-P643 HydrophobicContact CD1-CG 4.29Å; P643-E645 WeakPolarHBondContact CB-OE2 3.39Å; P643-E645 PolarHBondContact O-N 3.29Å; P643-I646 HydrophobicContact CG-CD1 4.26Å; P643-I646 HydrophobicContact CG-CG1 4.45Å; P643-I646 PolarHBondContact O-N 3.47Å; P643-Q647 WeakPolarHBondContact O-CG 3.3Å; P643-Q647 PolarHBondContact O-N 3.07Å
644R93.5Very high92.9Very high194 Ų19460.7 Ų60.773%0.73231%0.306SS*.Hα-helixtrans-58.3-34.2-177.6-72.2-175175.8-178-0.9112.3I646 Q647 N648R644-I646 VanDerWaalsContact C-N 3.32Å; R644-I646 PolarHBondContact O-N 2.85Å; R644-Q647 PolarHBondContact O-N 3.22Å; R644-N648 VanDerWaalsContact O-CB 3.26Å; R644-N648 WeakPolarHBondContact O-CB 2.91Å; R644-N648 PolarHBondContact O-N 3.43Å; R644-N648 PolarHBondContact O-ND2 3.13Å
645E93.3Very high93.2Very high91 Ų9163.3 Ų63.343%0.42532%0.318SS..Hα-helixtrans-58.9-45.5176.9-58.874.6-164.500110.8P643 M650P643-E645 WeakPolarHBondContact CB-OE2 3.39Å; P643-E645 PolarHBondContact O-N 3.29Å; E645-M650 HydrophobicContact CB-CE 3.72Å; E645-M650 HydrophobicContact CB-SD 4.21Å; E645-M650 WeakPolarHBondContact O-CB 3.3Å; E645-M650 PolarHBondContact O-N 3.46Å
646I94.1Very high93.6Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-71.2-42.3178.1-56.3-170000110.3L563 L566 H567 V606 L642 P643 R644 N648 G649 L652L563-I646 HydrophobicContact CD2-CD1 4.18Å; L566-I646 HydrophobicContact CD2-CD1 4.46Å; H567-I646 HydrophobicContact CB-CD1 4.12Å; H567-I646 HydrophobicContact CB-CG1 4.02Å; V606-I646 HydrophobicContact CB-CG2 3.77Å; V606-I646 HydrophobicContact CG2-CG2 3.88Å; L642-I646 HydrophobicContact CB-CB 4.43Å; L642-I646 HydrophobicContact CB-CG2 4.48Å; L642-I646 HydrophobicContact CD1-CG2 4.08Å; P643-I646 HydrophobicContact CG-CD1 4.26Å; P643-I646 HydrophobicContact CG-CG1 4.45Å; P643-I646 PolarHBondContact O-N 3.47Å; R644-I646 VanDerWaalsContact C-N 3.32Å; R644-I646 PolarHBondContact O-N 2.85Å; I646-N648 VanDerWaalsContact C-N 3.28Å; I646-N648 PolarHBondContact O-N 2.99Å; I646-G649 PolarHBondContact O-N 3.06Å; I646-L652 HydrophobicContact CD1-CD2 4.37Å; I646-L652 HydrophobicContact CG1-CD2 4.31Å
647Q94.1Very high94Very high63 Ų6361.2 Ų61.229%0.29430%0.301SS..Hα-helixtrans-60.7-37.8177.4-65.7-17523.800112.3F639 D640 L642 P643 R644 G649F639-Q647 HydrophobicContact CD1-CG 4.35Å; F639-Q647 HydrophobicContact CE1-CB 3.97Å; F639-Q647 HydrophobicContact CE1-CG 3.96Å; F639-Q647 HydrophobicContact CZ-CB 4.01Å; F639-Q647 HydrophobicContact CZ-CG 4.19Å; F639-Q647 PolarHBondContact O-NE2 2.99Å; D640-Q647 PolarHBondContact O-NE2 2.84Å; L642-Q647 HydrophobicContact CB-CG 4.08Å; L642-Q647 PolarHBondContact O-NE2 3.17Å; P643-Q647 WeakPolarHBondContact O-CG 3.3Å; P643-Q647 PolarHBondContact O-N 3.07Å; R644-Q647 PolarHBondContact O-N 3.22Å; Q647-G649 PolarHBondContact O-N 3.45Å; Q647-G649 VanDerWaalsContact O-N 3.1Å
648N93.6Very high94.5Very high140 Ų14055.9 Ų55.975%0.74927%0.268SS*.THydrogen-bonded Turntrans-721.6176.4-68.6-18.2000113.2R644 I646R644-N648 VanDerWaalsContact O-CB 3.26Å; R644-N648 WeakPolarHBondContact O-CB 2.91Å; R644-N648 PolarHBondContact O-N 3.43Å; R644-N648 PolarHBondContact O-ND2 3.13Å; I646-N648 VanDerWaalsContact C-N 3.28Å; I646-N648 PolarHBondContact O-N 2.99Å
649G90.6Very high95Very high14 Ų1454.8 Ų54.814%0.14426%0.263CS..THydrogen-bonded Turntrans88.226172.200000114.7I646 Q647I646-G649 PolarHBondContact O-N 3.06Å; Q647-G649 PolarHBondContact O-N 3.45Å; Q647-G649 VanDerWaalsContact O-N 3.1Å
650M93.8Very high95.3Very high60 Ų6053.8 Ų53.830%0.29626%0.259SS..PPolyproline II helixtrans-57.4140.3174.9-173.7163.770.600112H567 E645 L652H567-M650 HydrophobicContact CB-CE 3.15Å; H567-M650 WeakPolarHBondContact O-CE 3.45Å; E645-M650 HydrophobicContact CB-CE 3.72Å; E645-M650 HydrophobicContact CB-SD 4.21Å; E645-M650 WeakPolarHBondContact O-CB 3.3Å; E645-M650 PolarHBondContact O-N 3.46Å; M650-L652 HydrophobicContact CE-CD2 4.29Å
651L95.6Very high95.6Very high92 Ų9248.9 Ų48.948%0.48223%0.233SC..PPolyproline II helixtrans-84.8119.2179.4-59.7-170.6000110.6T603 K605 N629T603-L651 HydrophobicContact CG2-CB 4.4Å; K605-L651 HydrophobicContact CB-CD2 4.1Å; K605-L651 HydrophobicContact CD-CD2 4.39Å; K605-L651 HydrophobicContact CG-CD2 4.49Å; N629-L651 WeakPolarHBondContact ND2-CD2 3.41Å
652L97.4Very high95.8Very high2 Ų245.1 Ų45.11%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-92.5119.6-177-50.9173000109.2F549 L566 H567 T603 F604 V606 I646 M650F549-L652 HydrophobicContact CZ-CD1 4.09Å; L566-L652 HydrophobicContact CD1-CB 4.28Å; L566-L652 HydrophobicContact CD1-CD1 4.26Å; L566-L652 HydrophobicContact CD2-CD1 3.85Å; L566-L652 HydrophobicContact CG-CD1 3.92Å; L566-L652 HydrophobicContact CG-CD2 4.17Å; L566-L652 HydrophobicContact CG-CG 4.43Å; H567-L652 HydrophobicContact CB-CD2 4.05Å; T603-L652 CarbonylContact C-O 3.59Å; T603-L652 WeakPolarHBondContact CA-O 3.44Å; F604-L652 HydrophobicContact CB-CB 4.16Å; F604-L652 PolarHBondContact N-O 3.48Å; F604-L652 PolarHBondContact O-N 3.23Å; V606-L652 HydrophobicContact CG2-CD1 4Å; I646-L652 HydrophobicContact CD1-CD2 4.37Å; I646-L652 HydrophobicContact CG1-CD2 4.31Å; M650-L652 HydrophobicContact CE-CD2 4.29Å
653R97.1Very high95.9Very high188 Ų18844.8 Ų44.871%0.70921%0.208SC*.EExtended strand (participates in β ladder)trans-80.3159.1-177.7-64.6-178.4178.4177.3-0.5111.8G570 L571G570-R653 CarbonylContact C-O 3.58Å; G570-R653 VanDerWaalsContact CA-O 3.32Å; G570-R653 WeakPolarHBondContact CA-O 3.27Å; L571-R653 PolarHBondContact N-O 2.88Å
654V97.9Very high95.8Very high7 Ų743.7 Ų43.74%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-119.8130.7177.4-178.60000109.4L545 V573 F604 P656L545-V654 HydrophobicContact CD1-CG1 4Å; L545-V654 HydrophobicContact CD2-CG1 4.18Å; L545-V654 HydrophobicContact CD2-CG2 4.28Å; V573-V654 HydrophobicContact CG1-CG1 4.04Å; V573-V654 HydrophobicContact CG2-CG1 3.61Å; F604-V654 HydrophobicContact CD2-CG2 3.69Å; F604-V654 HydrophobicContact CE2-CG2 3.59Å; V654-P656 WeakPolarHBondContact O-CD 3.5Å
655Q98.1Very high95.7Very high55 Ų5537.1 Ų37.126%0.25718%0.178SC..EExtended strand (participates in β ladder)trans-109.595.3173.2-174.959.551.300109.5L571 L572 V573 Y693L571-Q655 PolarHBondContact O-N 3.45Å; L572-Q655 HydrophobicContact CD1-CB 4.44Å; L572-Q655 HydrophobicContact CD1-CG 4.23Å; V573-Q655 PolarHBondContact N-O 3.24Å; Q655-Y693 HydrophobicContact CB-CD2 3.81Å; Q655-Y693 HydrophobicContact CB-CE2 4.08Å; Q655-Y693 HydrophobicContact CG-CD2 3.76Å; Q655-Y693 HydrophobicContact CG-CG 4.28Å
656P98.2Very high95.6Very high0 Ų035.6 Ų35.60%017%0.171CC..EExtended strand (participates in β ladder)trans-80.6141177.833.2-34.8000112.1V573 V596 L599 R600 V654V573-P656 HydrophobicContact CG2-CB 3.82Å; V573-P656 WeakPolarHBondContact O-CA 3.34Å; V596-P656 HydrophobicContact CG1-CB 3.92Å; V596-P656 WeakPolarHBondContact O-CB 3.3Å; V596-P656 VanDerWaalsContact O-CG 3.27Å; V596-P656 WeakPolarHBondContact O-CG 3.49Å; L599-P656 HydrophobicContact CB-CB 4.21Å; L599-P656 HydrophobicContact CB-CG 4.17Å; R600-P656 HydrophobicContact CB-CG 4.32Å; V654-P656 WeakPolarHBondContact O-CD 3.5Å
657I98.6Very high95.6Very high0 Ų035.6 Ų35.60%017%0.171CC..EExtended strand (participates in β ladder)trans-134144.5168.761.2177.9000110.1L572 V573 Q574 Y575 F659 N686 R689 L690L572-I657 HydrophobicContact CD1-CD1 3.95Å; L572-I657 HydrophobicContact CD1-CG1 4.31Å; L572-I657 HydrophobicContact CD1-CG2 4.33Å; L572-I657 HydrophobicContact CG-CD1 4.42Å; V573-I657 WeakPolarHBondContact O-CG1 3.33Å; V573-I657 PolarHBondContact O-N 3.26Å; Q574-I657 HydrophobicContact CB-CD1 3.91Å; Q574-I657 HydrophobicContact CB-CG1 3.82Å; Q574-I657 HydrophobicContact CG-CD1 3.65Å; Q574-I657 HydrophobicContact CG-CG1 3.74Å; Y575-I657 PolarHBondContact N-O 3.36Å; I657-F659 HydrophobicContact CD1-CE2 4.15Å; I657-N686 VanDerWaalsContact CA-OD1 3.3Å; I657-N686 WeakPolarHBondContact CA-OD1 3.25Å; I657-N686 HydrophobicContact CB-CB 4.42Å; I657-R689 HydrophobicContact CG2-CB 4.03Å; I657-L690 HydrophobicContact CD1-CB 4.22Å; I657-L690 HydrophobicContact CD1-CD1 3.91Å; I657-L690 HydrophobicContact CD1-CD2 4.25Å; I657-L690 HydrophobicContact CD1-CG 4.35Å; I657-L690 HydrophobicContact CG2-CB 4.49Å
658L98.6Very high95.6Very high2 Ų234.1 Ų34.11%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-127.4124.4179.3174.862.4000110.8Y575 M592 V596 I682 N686Y575-L658 WeakPolarHBondContact O-CA 3.5Å; Y575-L658 WeakPolarHBondContact O-CD1 3.35Å; M592-L658 HydrophobicContact CE-CD1 3.81Å; M592-L658 HydrophobicContact CG-CD2 4.45Å; M592-L658 HydrophobicContact SD-CD1 4.49Å; V596-L658 HydrophobicContact CG1-CB 4.17Å; L658-I682 HydrophobicContact CB-CG2 4.38Å; L658-I682 HydrophobicContact CD2-CG2 4.01Å; L658-I682 HydrophobicContact CG-CG2 3.97Å; L658-N686 VanDerWaalsContact N-CG 3.27Å; L658-N686 PolarHBondContact N-OD1 2.86Å; L658-N686 WeakPolarHBondContact O-CB 3.43Å; L658-N686 PolarHBondContact O-ND2 3.36Å
659F98.6Very high95.4Very high0 Ų030.9 Ų30.90%015%0.148CC..EExtended strand (participates in β ladder)trans-116.7129.5168.5-71.6-83.6000110.4Y575 S577 I657 N683 N686 M687 L690 L722 V726 I736 L737 A740Y575-F659 PolarHBondContact O-N 2.94Å; S577-F659 PolarHBondContact N-O 3.45Å; I657-F659 HydrophobicContact CD1-CE2 4.15Å; F659-N683 VanDerWaalsContact CA-OD1 3.32Å; F659-N683 WeakPolarHBondContact CA-OD1 3.43Å; F659-N683 HydrophobicContact CD1-CB 4.22Å; F659-N686 HydrophobicContact CE1-CB 4.44Å; F659-N686 HydrophobicContact CE2-CB 4.4Å; F659-N686 HydrophobicContact CZ-CB 4.25Å; F659-M687 HydrophobicContact CE1-CB 4.37Å; F659-M687 HydrophobicContact CZ-CB 4.42Å; F659-M687 HydrophobicContact CZ-SD 4.49Å; F659-L690 HydrophobicContact CE2-CD2 4.26Å; F659-L690 HydrophobicContact CZ-CD2 4.39Å; F659-L722 HydrophobicContact CE1-CD1 4.39Å; F659-L722 HydrophobicContact CE1-CD2 4.44Å; F659-L722 HydrophobicContact CE2-CD2 4.4Å; F659-L722 HydrophobicContact CZ-CD2 3.94Å; F659-V726 HydrophobicContact CE1-CG2 4.08Å; F659-I736 HydrophobicContact CB-CG2 4.29Å; F659-I736 HydrophobicContact CD1-CG2 3.63Å; F659-I736 HydrophobicContact CE1-CG2 4.33Å; F659-I736 HydrophobicContact CG-CG2 4.25Å; F659-L737 HydrophobicContact CB-CD2 4.04Å; F659-A740 HydrophobicContact CB-CB 4.46Å; F659-A740 HydrophobicContact CD2-CB 3.48Å; F659-A740 VanDerWaalsContact CD2-CB 3.48Å; F659-A740 HydrophobicContact CE2-CB 3.75Å; F659-A740 HydrophobicContact CG-CB 3.95Å; F659-A740 HydrophobicContact CZ-CB 4.44Å
660N98.3Very high95.4Very high0 Ų030.2 Ų30.20%014%0.142CC..EExtended strand (participates in β ladder)trans-117.2131.9179.8-173.182.3000111.4S577 L579 L589 Q679 N683S577-N660 WeakPolarHBondContact CB-OD1 3.41Å; S577-N660 VanDerWaalsContact O-CA 3.31Å; S577-N660 WeakPolarHBondContact O-CA 3.39Å; S577-N660 PolarHBondContact O-OD1 3.02Å; S577-N660 PolarHBondContact OG-OD1 3.26Å; L579-N660 PolarHBondContact N-OD1 2.57Å; L579-N660 PolarHBondContact O-ND2 3.01Å; L579-N660 PolarHBondContact O-OD1 3.48Å; L589-N660 HydrophobicContact CD1-CB 3.93Å; L589-N660 HydrophobicContact CD2-CB 4.35Å; N660-Q679 HydrophobicContact CB-CG 4.26Å; N660-Q679 PolarHBondContact ND2-OE1 2.81Å; N660-Q679 VanDerWaalsContact O-CD 3.26Å; N660-Q679 WeakPolarHBondContact O-CG 3.36Å; N660-Q679 PolarHBondContact O-OE1 3.47Å; N660-N683 PolarHBondContact N-OD1 3.47Å; N660-N683 PolarHBondContact O-ND2 2.78Å; N660-N683 PolarHBondContact O-OD1 3.2Å
661V97.7Very high95.4Very high1 Ų130.3 Ų30.31%0.00614%0.141CC..  trans-140.7111.6164.7-179.60000108.6S577 L578 V734 I736 L737S577-V661 PolarHBondContact O-N 2.76Å; L578-V661 WeakPolarHBondContact CA-O 3.3Å; V661-V734 HydrophobicContact CG1-CG1 4.2Å; V661-I736 HydrophobicContact CG2-CB 4.15Å; V661-I736 HydrophobicContact CG2-CD1 4.3Å; V661-L737 HydrophobicContact CB-CD1 3.93Å; V661-L737 HydrophobicContact CB-CD2 4.16Å; V661-L737 HydrophobicContact CB-CG 3.98Å; V661-L737 HydrophobicContact CG2-CD1 4.35Å; V661-L737 HydrophobicContact CG2-CD2 3.79Å; V661-L737 HydrophobicContact CG2-CG 3.83Å
662G96.4Very high95.1Very high0 Ų033 Ų330%015%0.149CC..  trans-64.1134.9171.100000111.6L579 Q667 Q679L579-G662 VanDerWaalsContact O-CA 3.3Å; L579-G662 WeakPolarHBondContact O-CA 3.43Å; L579-G662 PolarHBondContact O-N 3.2Å; G662-Q667 WeakPolarHBondContact O-CG 3.34Å; G662-Q679 VanDerWaalsContact N-OE1 3.14Å
663I94.4Very high94.7Very high0 Ų040.8 Ų40.80%018%0.183CC..  trans-115.9-14.3-178.663170.1000114.2L578 K732 V734 R761 F821 P822 Y825L578-I663 HydrophobicContact CD1-CD1 4.41Å; L578-I663 HydrophobicContact CD2-CD1 4.34Å; L578-I663 HydrophobicContact CD2-CG2 4.21Å; I663-K732 PolarHBondContact O-NZ 3.45Å; I663-V734 HydrophobicContact CG2-CG1 3.75Å; I663-R761 HydrophobicContact CD1-CB 4.2Å; I663-R761 HydrophobicContact CD1-CG 4.16Å; I663-R761 HydrophobicContact CG1-CG 4.41Å; I663-F821 HydrophobicContact CD1-CD1 4.04Å; I663-F821 HydrophobicContact CD1-CE1 3.83Å; I663-F821 HydrophobicContact CG1-CD1 4.34Å; I663-F821 HydrophobicContact CG1-CE1 4.07Å; I663-P822 HydrophobicContact CB-CG 4.47Å; I663-P822 HydrophobicContact CG2-CG 4.43Å; I663-Y825 HydrophobicContact CD1-CD1 3.55Å; I663-Y825 HydrophobicContact CD1-CE1 4.19Å; I663-Y825 HydrophobicContact CD1-CG 4.1Å
664N91.9Very high94.2Very high9 Ų933.9 Ų33.95%0.04817%0.17CC..SBendtrans-86.3-178.1-171.972.2-8.9000113.2S580 Q666 Q667 T668 K732 R761 F821S580-N664 WeakPolarHBondContact CB-OD1 3.48Å; N664-Q666 VanDerWaalsContact C-N 3.29Å; N664-Q666 PolarHBondContact O-N 3.15Å; N664-Q666 PolarHBondContact OD1-N 2.87Å; N664-Q667 WeakPolarHBondContact O-CB 3.34Å; N664-Q667 PolarHBondContact O-N 3.41Å; N664-Q667 PolarHBondContact OD1-N 3.21Å; N664-T668 PolarHBondContact O-N 2.95Å; N664-K732 PolarHBondContact O-NZ 2.62Å; N664-R761 PolarHBondContact ND2-NH1 3.04Å; N664-F821 HydrophobicContact CB-CE2 3.73Å; N664-F821 HydrophobicContact CB-CZ 3.87Å
665E92.1Very high93.8Very high55 Ų5538 Ų3826%0.25719%0.192SC..Hα-helixtrans-61.8-34.6175.771-76.1-172.500113Q667 T668 L669 Q817 A820E665-Q667 VanDerWaalsContact C-N 3.26Å; E665-Q667 PolarHBondContact O-N 3.41Å; E665-T668 WeakPolarHBondContact O-CA 3.12Å; E665-T668 WeakPolarHBondContact O-CB 3.35Å; E665-T668 PolarHBondContact O-N 2.75Å; E665-L669 PolarHBondContact O-N 3.13Å; E665-Q817 HydrophobicContact CG-CG 4.34Å; E665-Q817 PolarHBondContact OE1-NE2 3.43Å; E665-A820 HydrophobicContact CB-CB 3.9Å
666Q91.3Very high93.5Very high59 Ų5937.1 Ų37.128%0.27619%0.19SC..Hα-helixtrans-63.9-34.2176.1-68-173.5-26.900111.5S580 Y582 N664 T668 L669 A670S580-Q666 WeakPolarHBondContact OG-CB 3.24Å; S580-Q666 PolarHBondContact OG-OE1 3.12Å; Y582-Q666 WeakPolarHBondContact CB-O 3.4Å; N664-Q666 VanDerWaalsContact C-N 3.29Å; N664-Q666 PolarHBondContact O-N 3.15Å; N664-Q666 PolarHBondContact OD1-N 2.87Å; Q666-T668 VanDerWaalsContact C-N 3.35Å; Q666-L669 WeakPolarHBondContact O-CB 3.21Å; Q666-L669 PolarHBondContact O-N 3.1Å; Q666-A670 PolarHBondContact O-N 3.23Å
667Q94.3Very high93.3Very high0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-65.3-38.6170.8-172.363.425.900112S580 G662 N664 E665 L669 A670 E671 K732S580-Q667 VanDerWaalsContact CA-OE1 3.22Å; G662-Q667 WeakPolarHBondContact O-CG 3.34Å; N664-Q667 WeakPolarHBondContact O-CB 3.34Å; N664-Q667 PolarHBondContact O-N 3.41Å; N664-Q667 PolarHBondContact OD1-N 3.21Å; E665-Q667 VanDerWaalsContact C-N 3.26Å; E665-Q667 PolarHBondContact O-N 3.41Å; Q667-L669 PolarHBondContact O-N 2.82Å; Q667-A670 WeakPolarHBondContact O-CB 3.21Å; Q667-A670 PolarHBondContact O-N 3.33Å; Q667-A670 VanDerWaalsContact O-N 3.17Å; Q667-E671 HydrophobicContact CG-CG 4.4Å; Q667-E671 WeakPolarHBondContact O-CG 3.31Å; Q667-E671 PolarHBondContact O-N 3.26Å; Q667-K732 HydrophobicContact CG-CG 4.22Å
668T92.2Very high93.2Very high33 Ų3340.8 Ų40.820%0.20221%0.214CC..Hα-helixtrans-62.4-34.6174.3-60.80000111.4N664 E665 Q666 K672 K732N664-T668 PolarHBondContact O-N 2.95Å; E665-T668 WeakPolarHBondContact O-CA 3.12Å; E665-T668 WeakPolarHBondContact O-CB 3.35Å; E665-T668 PolarHBondContact O-N 2.75Å; Q666-T668 VanDerWaalsContact C-N 3.35Å; T668-K672 HydrophobicContact CG2-CD 4.14Å; T668-K672 WeakPolarHBondContact O-CB 3.3Å; T668-K672 WeakPolarHBondContact O-CG 3.39Å; T668-K672 PolarHBondContact O-N 3.05Å; T668-K732 WeakPolarHBondContact OG1-CE 3.45Å; T668-K732 PolarHBondContact OG1-NZ 3.27Å
669L91.1Very high93Very high71 Ų7141.4 Ų41.437%0.37222%0.217SC..Hα-helixtrans-67.3-43173-64.3175.5000111.6Y582 E665 Q666 Q667 K672 F673 G674Y582-L669 HydrophobicContact CD2-CB 4.38Å; Y582-L669 HydrophobicContact CE1-CD1 4.3Å; Y582-L669 HydrophobicContact CE2-CB 4.41Å; Y582-L669 HydrophobicContact CG-CB 4.45Å; E665-L669 PolarHBondContact O-N 3.13Å; Q666-L669 WeakPolarHBondContact O-CB 3.21Å; Q666-L669 PolarHBondContact O-N 3.1Å; Q667-L669 PolarHBondContact O-N 2.82Å; L669-K672 PolarHBondContact O-N 3.1Å; L669-F673 HydrophobicContact CD2-CD2 4.28Å; L669-F673 PolarHBondContact O-N 3.01Å; L669-G674 PolarHBondContact O-N 3.06Å
670A91Very high92.9Very high1 Ų145.3 Ų45.31%0.00824%0.238CC..Hα-helixtrans-59-47174.500000112.5T581 Y582 Q666 Q667 K672 G674 T676T581-A670 VanDerWaalsContact OG1-CB 3.23Å; T581-A670 WeakPolarHBondContact OG1-CB 3.27Å; Y582-A670 HydrophobicContact CD2-CB 4.38Å; Q666-A670 PolarHBondContact O-N 3.23Å; Q667-A670 WeakPolarHBondContact O-CB 3.21Å; Q667-A670 PolarHBondContact O-N 3.33Å; Q667-A670 VanDerWaalsContact O-N 3.17Å; A670-K672 VanDerWaalsContact C-N 3.29Å; A670-K672 PolarHBondContact O-N 3.19Å; A670-G674 CarbonylContact O-C 3.49Å; A670-G674 VanDerWaalsContact O-CA 3.22Å; A670-G674 WeakPolarHBondContact O-CA 3.1Å; A670-G674 PolarHBondContact O-N 3.16Å; A670-T676 HydrophobicContact CB-CG2 4.13Å
671E91.9Very high92.8Very high62 Ų6247.8 Ų47.829%0.2925%0.253SS..Hα-helixtrans-65.3-31.7-178.9-71.7175.5171.200113.1Q667 T676 S731 K732Q667-E671 HydrophobicContact CG-CG 4.4Å; Q667-E671 WeakPolarHBondContact O-CG 3.31Å; Q667-E671 PolarHBondContact O-N 3.26Å; E671-T676 HydrophobicContact CG-CG2 4.08Å; E671-S731 WeakPolarHBondContact OE2-CB 3.14Å; E671-S731 PolarHBondContact OE2-OG 3.44Å; E671-K732 WeakPolarHBondContact OE1-CG 3.45Å; E671-K732 PolarHBondContact OE1-N 2.52Å
672K90.8Very high92.8Very high149 Ų14947.7 Ų47.765%0.64825%0.253SS*.Hα-helixtrans-91-36.5-177.4-71-174.9177.8-170.20114T668 L669 A670T668-K672 HydrophobicContact CG2-CD 4.14Å; T668-K672 WeakPolarHBondContact O-CB 3.3Å; T668-K672 WeakPolarHBondContact O-CG 3.39Å; T668-K672 PolarHBondContact O-N 3.05Å; L669-K672 PolarHBondContact O-N 3.1Å; A670-K672 VanDerWaalsContact C-N 3.29Å; A670-K672 PolarHBondContact O-N 3.19Å
673F89.2Confident92.9Very high165 Ų16547.9 Ų47.972%0.72425%0.253SS*.Hα-helixtrans-136.3-7.4-167.2-56.2-68.7000113.8L669L669-F673 HydrophobicContact CD2-CD2 4.28Å; L669-F673 PolarHBondContact O-N 3.01Å
674G86.4Confident93.1Very high42 Ų4252.5 Ų52.543%0.43328%0.276SS..SBendtrans-115.9-155.2-176.800000112.4L669 A670L669-G674 PolarHBondContact O-N 3.06Å; A670-G674 CarbonylContact O-C 3.49Å; A670-G674 VanDerWaalsContact O-CA 3.22Å; A670-G674 WeakPolarHBondContact O-CA 3.1Å; A670-G674 PolarHBondContact O-N 3.16Å
675D88.7Confident93.4Very high93 Ų9354.6 Ų54.650%0.49729%0.286SS..  trans-118.8136.2179.2-174.815.5000110.3T581 S677T581-D675 WeakPolarHBondContact CB-O 3.37Å; T581-D675 PolarHBondContact OG1-O 2.87Å; D675-S677 WeakPolarHBondContact OD1-CB 3.35Å; D675-S677 PolarHBondContact OD1-N 2.93Å; D675-S677 PolarHBondContact OD1-OG 2.67Å; D675-S677 VanDerWaalsContact OD1-OG 3.06Å; D675-S677 PolarHBondContact OD2-OG 3.17Å
676T92.9Very high93.7Very high37 Ų3752 Ų5223%0.22727%0.274CS..  trans-115.5-0.4177.153.80000112.1A670 E671 L678 Q679 D680A670-T676 HydrophobicContact CB-CG2 4.13Å; E671-T676 HydrophobicContact CG-CG2 4.08Å; T676-L678 VanDerWaalsContact C-N 3.27Å; T676-L678 PolarHBondContact O-N 3.38Å; T676-L678 VanDerWaalsContact O-N 3.16Å; T676-Q679 WeakPolarHBondContact O-CB 2.96Å; T676-Q679 PolarHBondContact O-N 3.06Å; T676-D680 PolarHBondContact O-N 2.79Å
677S94Very high94Very high55 Ų5549.7 Ų49.739%0.38526%0.263SS..Hα-helixtrans-53.2-40.7-176.469.60000113.1D675 Q679 D680 V681D675-S677 WeakPolarHBondContact OD1-CB 3.35Å; D675-S677 PolarHBondContact OD1-N 2.93Å; D675-S677 PolarHBondContact OD1-OG 2.67Å; D675-S677 VanDerWaalsContact OD1-OG 3.06Å; D675-S677 PolarHBondContact OD2-OG 3.17Å; S677-Q679 VanDerWaalsContact C-N 3.32Å; S677-Q679 PolarHBondContact O-N 2.95Å; S677-D680 PolarHBondContact O-N 3.01Å; S677-V681 WeakPolarHBondContact O-CB 3.17Å; S677-V681 VanDerWaalsContact O-CG2 3.28Å; S677-V681 WeakPolarHBondContact O-CG2 3.25Å; S677-V681 PolarHBondContact O-N 3.24Å
678L94.6Very high94.2Very high23 Ų2354.2 Ų54.212%0.1229%0.291CS..Hα-helixtrans-61.2-41.6179.2179.864.6000111.8L586 L589 E590 T676 I682L586-L678 HydrophobicContact CD1-CB 4.28Å; L586-L678 HydrophobicContact CD1-CD2 3.62Å; L589-L678 HydrophobicContact CD2-CD2 4.13Å; L589-L678 HydrophobicContact CD2-CG 4.4Å; L589-L678 HydrophobicContact CG-CD2 4.21Å; E590-L678 HydrophobicContact CG-CD2 3.42Å; E590-L678 VanDerWaalsContact CG-CD2 3.42Å; T676-L678 VanDerWaalsContact C-N 3.27Å; T676-L678 PolarHBondContact O-N 3.38Å; T676-L678 VanDerWaalsContact O-N 3.16Å; L678-I682 HydrophobicContact CD1-CD1 3.93Å; L678-I682 HydrophobicContact CD1-CG1 4.22Å; L678-I682 HydrophobicContact CD2-CD1 4.43Å; L678-I682 HydrophobicContact CG-CD1 3.82Å; L678-I682 HydrophobicContact CG-CG1 4.47Å; L678-I682 WeakPolarHBondContact O-CB 3.39Å; L678-I682 WeakPolarHBondContact O-CG1 3.45Å; L678-I682 PolarHBondContact O-N 2.7Å
679Q96.1Very high94.4Very high15 Ų1555.7 Ų55.77%0.0729%0.293CS..Hα-helixtrans-64.6-44177.1175.8-179.2-80.600110.7T581 N660 G662 T676 S677 I682 N683T581-Q679 HydrophobicContact CG2-CB 3.58Å; N660-Q679 HydrophobicContact CB-CG 4.26Å; N660-Q679 PolarHBondContact ND2-OE1 2.81Å; N660-Q679 VanDerWaalsContact O-CD 3.26Å; N660-Q679 WeakPolarHBondContact O-CG 3.36Å; N660-Q679 PolarHBondContact O-OE1 3.47Å; G662-Q679 VanDerWaalsContact N-OE1 3.14Å; T676-Q679 WeakPolarHBondContact O-CB 2.96Å; T676-Q679 PolarHBondContact O-N 3.06Å; S677-Q679 VanDerWaalsContact C-N 3.32Å; S677-Q679 PolarHBondContact O-N 2.95Å; Q679-I682 PolarHBondContact O-N 3.33Å; Q679-N683 WeakPolarHBondContact O-CB 3.45Å; Q679-N683 VanDerWaalsContact O-CG 3.28Å; Q679-N683 PolarHBondContact O-N 3.01Å; Q679-N683 PolarHBondContact O-ND2 3.46Å
680D95.5Very high94.8Very high81 Ų8152.3 Ų52.343%0.43328%0.275SS..Hα-helixtrans-63.8-44.9179.9-62.8-18.6000111.1T676 S677 N683 M684T676-D680 PolarHBondContact O-N 2.79Å; S677-D680 PolarHBondContact O-N 3.01Å; D680-N683 PolarHBondContact O-N 2.81Å; D680-M684 WeakPolarHBondContact O-CB 3.42Å; D680-M684 PolarHBondContact O-N 2.86Å
681V97Very high95.1Very high52 Ų5254.1 Ų54.132%0.31529%0.288SS..Hα-helixtrans-60.2-48.2175.1170.10000110.9S677 N683 M684 E685S677-V681 WeakPolarHBondContact O-CB 3.17Å; S677-V681 VanDerWaalsContact O-CG2 3.28Å; S677-V681 WeakPolarHBondContact O-CG2 3.25Å; S677-V681 PolarHBondContact O-N 3.24Å; V681-N683 PolarHBondContact O-N 3.21Å; V681-M684 PolarHBondContact O-N 3.41Å; V681-E685 HydrophobicContact CG1-CG 4.34Å; V681-E685 WeakPolarHBondContact CG1-OE1 3.5Å; V681-E685 WeakPolarHBondContact O-CB 3.47Å; V681-E685 VanDerWaalsContact O-CG 3.3Å; V681-E685 WeakPolarHBondContact O-CG 3.41Å; V681-E685 PolarHBondContact O-N 3.39Å
682I97.8Very high95.3Very high0 Ų053.9 Ų53.90%029%0.293CS..Hα-helixtrans-59.4-50.2177.7-72.3168.8000110.3L589 L658 L678 Q679 M684 E685 N686L589-I682 HydrophobicContact CD1-CD1 3.89Å; L589-I682 HydrophobicContact CD2-CD1 4.05Å; L589-I682 HydrophobicContact CG-CD1 3.75Å; L658-I682 HydrophobicContact CB-CG2 4.38Å; L658-I682 HydrophobicContact CD2-CG2 4.01Å; L658-I682 HydrophobicContact CG-CG2 3.97Å; L678-I682 HydrophobicContact CD1-CD1 3.93Å; L678-I682 HydrophobicContact CD1-CG1 4.22Å; L678-I682 HydrophobicContact CD2-CD1 4.43Å; L678-I682 HydrophobicContact CG-CD1 3.82Å; L678-I682 HydrophobicContact CG-CG1 4.47Å; L678-I682 WeakPolarHBondContact O-CB 3.39Å; L678-I682 WeakPolarHBondContact O-CG1 3.45Å; L678-I682 PolarHBondContact O-N 2.7Å; Q679-I682 PolarHBondContact O-N 3.33Å; I682-M684 PolarHBondContact O-N 2.6Å; I682-E685 PolarHBondContact O-N 2.87Å; I682-N686 WeakPolarHBondContact O-CB 3.42Å; I682-N686 PolarHBondContact O-N 3.09Å; I682-N686 PolarHBondContact O-ND2 3.06Å
683N98.2Very high95.7Very high3 Ų346.9 Ų46.92%0.01626%0.262CS..Hα-helixtrans-64.9-40.5-177.4-72.5-19.8000112.1F659 N660 Q679 D680 V681 N686 M687 V726F659-N683 VanDerWaalsContact CA-OD1 3.32Å; F659-N683 WeakPolarHBondContact CA-OD1 3.43Å; F659-N683 HydrophobicContact CD1-CB 4.22Å; N660-N683 PolarHBondContact N-OD1 3.47Å; N660-N683 PolarHBondContact O-ND2 2.78Å; N660-N683 PolarHBondContact O-OD1 3.2Å; Q679-N683 WeakPolarHBondContact O-CB 3.45Å; Q679-N683 VanDerWaalsContact O-CG 3.28Å; Q679-N683 PolarHBondContact O-N 3.01Å; Q679-N683 PolarHBondContact O-ND2 3.46Å; D680-N683 PolarHBondContact O-N 2.81Å; V681-N683 PolarHBondContact O-N 3.21Å; N683-N686 PolarHBondContact O-N 3.08Å; N683-M687 WeakPolarHBondContact O-CB 3.2Å; N683-M687 PolarHBondContact O-N 2.77Å; N683-V726 HydrophobicContact CB-CG1 4.06Å; N683-V726 HydrophobicContact CB-CG2 4.35Å
684M98Very high96Very high98 Ų9839.5 Ų39.548%0.48323%0.23SC..Hα-helixtrans-65.2-49.4177.6-177.517658.700111.7D680 V681 I682 N686 M687 T688 V726D680-M684 WeakPolarHBondContact O-CB 3.42Å; D680-M684 PolarHBondContact O-N 2.86Å; V681-M684 PolarHBondContact O-N 3.41Å; I682-M684 PolarHBondContact O-N 2.6Å; M684-N686 VanDerWaalsContact C-N 3.28Å; M684-N686 PolarHBondContact O-N 3.15Å; M684-M687 PolarHBondContact O-N 3.15Å; M684-T688 PolarHBondContact O-N 3.37Å; M684-T688 VanDerWaalsContact O-N 3.16Å; M684-T688 PolarHBondContact O-OG1 3.42Å; M684-V726 HydrophobicContact CB-CG1 4.36Å
685E97.7Very high96.5Very high52 Ų5241.4 Ų41.424%0.24323%0.23CC..Hα-helixtrans-59.3-41177.3-72.2179.2-157.600111.8R249 V681 I682 T688 R689R249-E685 IonicContact CZ-OE1 3.26Å; R249-E685 IonicContact NH1-OE1 3.73Å; R249-E685 IonicContact NH2-OE1 2.73Å; R249-E685 PolarHBondContact NH2-OE1 3.43Å; V681-E685 HydrophobicContact CG1-CG 4.34Å; V681-E685 WeakPolarHBondContact CG1-OE1 3.5Å; V681-E685 WeakPolarHBondContact O-CB 3.47Å; V681-E685 VanDerWaalsContact O-CG 3.3Å; V681-E685 WeakPolarHBondContact O-CG 3.41Å; V681-E685 PolarHBondContact O-N 3.39Å; I682-E685 PolarHBondContact O-N 2.87Å; E685-T688 PolarHBondContact O-N 3Å; E685-R689 WeakPolarHBondContact O-CG 3.1Å; E685-R689 PolarHBondContact O-N 3.28Å; E685-R689 VanDerWaalsContact O-N 3.13Å; E685-R689 IonicContact OE2-CZ 3.46Å; E685-R689 IonicContact OE2-NH1 2.9Å; E685-R689 PolarHBondContact OE2-NH1 3.21Å; E685-R689 VanDerWaalsContact OE2-NH1 3.1Å; E685-R689 IonicContact OE2-NH2 3.25Å; E685-R689 PolarHBondContact OE2-NH2 2.83Å
686N98.3Very high96.8Very high2 Ų240.5 Ų40.51%0.01122%0.223CC..Hα-helixtrans-76.4-27.4-178.3-75.7-76000113.2I657 L658 F659 I682 N683 M684 R689 L690I657-N686 VanDerWaalsContact CA-OD1 3.3Å; I657-N686 WeakPolarHBondContact CA-OD1 3.25Å; I657-N686 HydrophobicContact CB-CB 4.42Å; L658-N686 VanDerWaalsContact N-CG 3.27Å; L658-N686 PolarHBondContact N-OD1 2.86Å; L658-N686 WeakPolarHBondContact O-CB 3.43Å; L658-N686 PolarHBondContact O-ND2 3.36Å; F659-N686 HydrophobicContact CE1-CB 4.44Å; F659-N686 HydrophobicContact CE2-CB 4.4Å; F659-N686 HydrophobicContact CZ-CB 4.25Å; I682-N686 WeakPolarHBondContact O-CB 3.42Å; I682-N686 PolarHBondContact O-N 3.09Å; I682-N686 PolarHBondContact O-ND2 3.06Å; N683-N686 PolarHBondContact O-N 3.08Å; M684-N686 VanDerWaalsContact C-N 3.28Å; M684-N686 PolarHBondContact O-N 3.15Å; N686-R689 PolarHBondContact O-N 3.3Å; N686-L690 WeakPolarHBondContact O-CB 3.36Å; N686-L690 PolarHBondContact O-N 3.39Å
687M98.2Very high96.9Very high10 Ų1038.9 Ų38.95%0.04921%0.212CC..Hα-helixtrans-61.8-46.5167.8-173.863.9-128.400110.9F659 N683 M684 R689 L690 S691 L719 L722F659-M687 HydrophobicContact CE1-CB 4.37Å; F659-M687 HydrophobicContact CZ-CB 4.42Å; F659-M687 HydrophobicContact CZ-SD 4.49Å; N683-M687 WeakPolarHBondContact O-CB 3.2Å; N683-M687 PolarHBondContact O-N 2.77Å; M684-M687 PolarHBondContact O-N 3.15Å; M687-R689 VanDerWaalsContact C-N 3.32Å; M687-R689 PolarHBondContact O-N 3.45Å; M687-L690 PolarHBondContact O-N 3.19Å; M687-S691 VanDerWaalsContact CE-OG 3.27Å; M687-S691 WeakPolarHBondContact CE-OG 3.2Å; M687-S691 PolarHBondContact O-N 3.32Å; M687-S691 PolarHBondContact O-OG 3.03Å; M687-L719 HydrophobicContact CE-CB 4.42Å; M687-L719 HydrophobicContact CE-CD2 4.21Å; M687-L722 HydrophobicContact CE-CD2 4.39Å; M687-L722 HydrophobicContact SD-CB 4.08Å; M687-L722 HydrophobicContact SD-CD2 3.63Å; M687-L722 HydrophobicContact SD-CG 3.52Å; M687-L722 VanDerWaalsContact SD-CG 3.52Å
688T98Very high97Very high94 Ų9441.2 Ų41.258%0.57722%0.216SC*.Hα-helixtrans-59.6-41.7176.2-560000111.9M684 E685 S691 S692M684-T688 PolarHBondContact O-N 3.37Å; M684-T688 VanDerWaalsContact O-N 3.16Å; M684-T688 PolarHBondContact O-OG1 3.42Å; E685-T688 PolarHBondContact O-N 3Å; T688-S691 PolarHBondContact O-N 3.23Å; T688-S692 WeakPolarHBondContact O-CB 3.49Å; T688-S692 PolarHBondContact O-N 3.22Å
689R97.8Very high96.9Very high65 Ų6547.6 Ų47.625%0.24525%0.245CC..Hα-helixtrans-65.1-42.1176.7-70175.9-171.7113.57.7112.5M597 I657 E685 N686 M687 S692 Y693M597-R689 VanDerWaalsContact CE-NE 3.34Å; M597-R689 PolarHBondContact SD-NH1 2.99Å; I657-R689 HydrophobicContact CG2-CB 4.03Å; E685-R689 WeakPolarHBondContact O-CG 3.1Å; E685-R689 PolarHBondContact O-N 3.28Å; E685-R689 VanDerWaalsContact O-N 3.13Å; E685-R689 IonicContact OE2-CZ 3.46Å; E685-R689 IonicContact OE2-NH1 2.9Å; E685-R689 PolarHBondContact OE2-NH1 3.21Å; E685-R689 VanDerWaalsContact OE2-NH1 3.1Å; E685-R689 IonicContact OE2-NH2 3.25Å; E685-R689 PolarHBondContact OE2-NH2 2.83Å; N686-R689 PolarHBondContact O-N 3.3Å; M687-R689 VanDerWaalsContact C-N 3.32Å; M687-R689 PolarHBondContact O-N 3.45Å; R689-S692 PolarHBondContact O-N 3.07Å; R689-Y693 PolarHBondContact O-N 3.07Å
690L98.2Very high96.9Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-64.6-43.2176.8176.558.4000111.5L572 I657 F659 N686 M687 Y693 Y694 L719 L722 A743 L747L572-L690 HydrophobicContact CD1-CD1 4.4Å; L572-L690 HydrophobicContact CD2-CD1 3.94Å; I657-L690 HydrophobicContact CD1-CB 4.22Å; I657-L690 HydrophobicContact CD1-CD1 3.91Å; I657-L690 HydrophobicContact CD1-CD2 4.25Å; I657-L690 HydrophobicContact CD1-CG 4.35Å; I657-L690 HydrophobicContact CG2-CB 4.49Å; F659-L690 HydrophobicContact CE2-CD2 4.26Å; F659-L690 HydrophobicContact CZ-CD2 4.39Å; N686-L690 WeakPolarHBondContact O-CB 3.36Å; N686-L690 PolarHBondContact O-N 3.39Å; M687-L690 PolarHBondContact O-N 3.19Å; L690-Y693 PolarHBondContact O-N 2.96Å; L690-Y694 PolarHBondContact O-N 3.4Å; L690-L719 HydrophobicContact CD1-CD2 4.43Å; L690-L719 HydrophobicContact CD2-CD2 3.65Å; L690-L719 HydrophobicContact CG-CD2 3.78Å; L690-L722 HydrophobicContact CD2-CD2 3.69Å; L690-A743 HydrophobicContact CD2-CB 4.38Å; L690-L747 HydrophobicContact CD1-CD1 3.79Å
691S97.6Very high96.7Very high39 Ų3947.2 Ų47.227%0.27325%0.246SC..Hα-helixtrans-59.8-48.2174.1-63.60000111.3M687 T688 Y693 Y694 D695M687-S691 VanDerWaalsContact CE-OG 3.27Å; M687-S691 WeakPolarHBondContact CE-OG 3.2Å; M687-S691 PolarHBondContact O-N 3.32Å; M687-S691 PolarHBondContact O-OG 3.03Å; T688-S691 PolarHBondContact O-N 3.23Å; S691-Y693 VanDerWaalsContact C-N 3.32Å; S691-Y693 PolarHBondContact O-N 3.44Å; S691-Y694 WeakPolarHBondContact O-CA 3.31Å; S691-Y694 WeakPolarHBondContact O-CB 3.29Å; S691-Y694 PolarHBondContact O-N 2.85Å; S691-D695 VanDerWaalsContact O-CG 3.24Å; S691-D695 PolarHBondContact O-N 2.61Å
692S97.2Very high96.3Very high57 Ų5747.6 Ų47.640%0.39925%0.25SC..Hα-helixtrans-60.3-39.6178.4-178.40000112.9T688 R689 Y694 D695 Q696T688-S692 WeakPolarHBondContact O-CB 3.49Å; T688-S692 PolarHBondContact O-N 3.22Å; R689-S692 PolarHBondContact O-N 3.07Å; S692-Y694 VanDerWaalsContact C-N 3.34Å; S692-D695 PolarHBondContact O-N 3.42Å; S692-Q696 VanDerWaalsContact O-CG 3.32Å; S692-Q696 WeakPolarHBondContact O-CG 3.31Å; S692-Q696 PolarHBondContact O-N 2.87Å; S692-Q696 PolarHBondContact OG-NE2 3.19Å
693Y97.6Very high95.4Very high1 Ų154.5 Ų54.50%0.00428%0.282CS..Hα-helixtrans-63.9-40174.2-177.2-93.4000112Q565 I569 G570 L572 Q655 R689 L690 S691 F697Q565-Y693 PolarHBondContact NE2-OH 3.46Å; I569-Y693 HydrophobicContact CD1-CD2 4.49Å; I569-Y693 HydrophobicContact CD1-CE1 3.95Å; I569-Y693 HydrophobicContact CD1-CE2 3.81Å; I569-Y693 VanDerWaalsContact CD1-CZ 3.5Å; I569-Y693 HydrophobicContact CG1-CE2 4.04Å; G570-Y693 PolarHBondContact O-OH 3.41Å; L572-Y693 HydrophobicContact CB-CD1 4.23Å; L572-Y693 HydrophobicContact CB-CE1 3.7Å; L572-Y693 HydrophobicContact CB-CE2 4.35Å; L572-Y693 HydrophobicContact CD1-CD1 4.02Å; L572-Y693 HydrophobicContact CD1-CD2 4.5Å; L572-Y693 HydrophobicContact CD1-CE1 4.36Å; L572-Y693 HydrophobicContact CD1-CG 4.09Å; L572-Y693 HydrophobicContact CD2-CD1 4.15Å; L572-Y693 HydrophobicContact CD2-CE1 4.16Å; L572-Y693 HydrophobicContact CG-CD1 4.37Å; L572-Y693 HydrophobicContact CG-CE1 4.3Å; Q655-Y693 HydrophobicContact CB-CD2 3.81Å; Q655-Y693 HydrophobicContact CB-CE2 4.08Å; Q655-Y693 HydrophobicContact CG-CD2 3.76Å; Q655-Y693 HydrophobicContact CG-CG 4.28Å; R689-Y693 PolarHBondContact O-N 3.07Å; L690-Y693 PolarHBondContact O-N 2.96Å; S691-Y693 VanDerWaalsContact C-N 3.32Å; S691-Y693 PolarHBondContact O-N 3.44Å; Y693-F697 PolarHBondContact O-N 3.38Å
694Y96.9Very high94.8Very high11 Ų1161.9 Ų61.94%0.04332%0.321CS..Hα-helixtrans-68.4-38.6177.4-179.5-126.3000113L690 S691 S692 F697 K698 L715 P716 L719 L747L690-Y694 PolarHBondContact O-N 3.4Å; S691-Y694 WeakPolarHBondContact O-CA 3.31Å; S691-Y694 WeakPolarHBondContact O-CB 3.29Å; S691-Y694 PolarHBondContact O-N 2.85Å; S692-Y694 VanDerWaalsContact C-N 3.34Å; Y694-F697 WeakPolarHBondContact O-CB 3.39Å; Y694-F697 PolarHBondContact O-N 3.35Å; Y694-K698 HydrophobicContact CD1-CD 4.24Å; Y694-K698 HydrophobicContact CE1-CD 3.85Å; Y694-K698 VanDerWaalsContact CE1-NZ 3.32Å; Y694-K698 HydrophobicContact CE2-CD 4.36Å; Y694-K698 HydrophobicContact CE2-CG 4.16Å; Y694-K698 PolarHBondContact O-N 3.32Å; Y694-K698 WeakPolarHBondContact OH-CE 3.25Å; Y694-L715 HydrophobicContact CD2-CD2 4.04Å; Y694-L715 HydrophobicContact CE2-CD2 3.47Å; Y694-L715 VanDerWaalsContact CE2-CD2 3.47Å; Y694-L715 HydrophobicContact CE2-CG 4.03Å; Y694-P716 HydrophobicContact CE1-CG 4.45Å; Y694-P716 VanDerWaalsContact OH-CD 3.27Å; Y694-P716 WeakPolarHBondContact OH-CD 3.4Å; Y694-P716 VanDerWaalsContact OH-CG 3.27Å; Y694-P716 WeakPolarHBondContact OH-CG 3.2Å; Y694-L719 HydrophobicContact CD1-CD1 3.14Å; Y694-L719 HydrophobicContact CD2-CD1 4.21Å; Y694-L719 HydrophobicContact CE1-CD1 3.51Å; Y694-L719 HydrophobicContact CG-CD1 3.48Å; Y694-L719 VanDerWaalsContact CG-CD1 3.48Å; Y694-L747 HydrophobicContact CD2-CD2 3.83Å; Y694-L747 HydrophobicContact CE2-CD2 4.35Å
695D96.1Very high94.2Very high81 Ų8157.5 Ų57.543%0.43330%0.3SS..Hα-helixtrans-64-45.7176.2-64.1-29.4000110.2S691 S692 F697 K698 E699S691-D695 VanDerWaalsContact O-CG 3.24Å; S691-D695 PolarHBondContact O-N 2.61Å; S692-D695 PolarHBondContact O-N 3.42Å; D695-F697 VanDerWaalsContact C-N 3.3Å; D695-F697 PolarHBondContact O-N 2.93Å; D695-K698 PolarHBondContact O-N 3.47Å; D695-K698 VanDerWaalsContact O-N 3.15Å; D695-E699 WeakPolarHBondContact O-CG 3.32Å; D695-E699 PolarHBondContact O-N 2.83Å
696Q95.4Very high93.7Very high75 Ų7556.7 Ų56.735%0.3530%0.297SS..Hα-helixtrans-57.7-41.8172.2-72.5172.543.900112.2I569 S692 K698 E699 V700I569-Q696 HydrophobicContact CG2-CB 4.48Å; S692-Q696 VanDerWaalsContact O-CG 3.32Å; S692-Q696 WeakPolarHBondContact O-CG 3.31Å; S692-Q696 PolarHBondContact O-N 2.87Å; S692-Q696 PolarHBondContact OG-NE2 3.19Å; Q696-K698 PolarHBondContact O-N 2.92Å; Q696-E699 PolarHBondContact O-N 3.28Å; Q696-V700 WeakPolarHBondContact O-CG2 3.35Å; Q696-V700 PolarHBondContact O-N 3.35Å
697F95.8Very high93.1Very high3 Ų358.9 Ų58.91%0.01331%0.312CS..Hα-helixtrans-58.4-48.6175.9176.8-85.1000111.3Q565 I569 Y693 Y694 D695 E699 V700 L701 C705 L706Q565-F697 HydrophobicContact CG-CD2 4.12Å; Q565-F697 HydrophobicContact CG-CE2 4.21Å; I569-F697 HydrophobicContact CD1-CB 3.74Å; I569-F697 HydrophobicContact CD1-CD2 3.85Å; I569-F697 HydrophobicContact CD1-CG 4.3Å; Y693-F697 PolarHBondContact O-N 3.38Å; Y694-F697 WeakPolarHBondContact O-CB 3.39Å; Y694-F697 PolarHBondContact O-N 3.35Å; D695-F697 VanDerWaalsContact C-N 3.3Å; D695-F697 PolarHBondContact O-N 2.93Å; F697-E699 VanDerWaalsContact C-N 3.32Å; F697-E699 PolarHBondContact O-N 3.29Å; F697-V700 PolarHBondContact O-N 3.48Å; F697-L701 HydrophobicContact CD2-CB 4.09Å; F697-L701 HydrophobicContact CD2-CD1 3.49Å; F697-L701 VanDerWaalsContact CD2-CD1 3.49Å; F697-L701 HydrophobicContact CD2-CG 4.42Å; F697-L701 HydrophobicContact CE1-CB 4.45Å; F697-L701 HydrophobicContact CE2-CB 3.82Å; F697-L701 HydrophobicContact CE2-CD1 3.65Å; F697-L701 HydrophobicContact CE2-CG 4.38Å; F697-L701 HydrophobicContact CG-CB 4.49Å; F697-L701 HydrophobicContact CG-CD1 4.36Å; F697-L701 HydrophobicContact CZ-CB 3.99Å; F697-L701 WeakPolarHBondContact O-CA 3.27Å; F697-L701 WeakPolarHBondContact O-CB 3.33Å; F697-L701 PolarHBondContact O-N 2.92Å; F697-C705 HydrophobicContact CE2-CB 4.19Å; F697-C705 HydrophobicContact CZ-CB 4.03Å; F697-L706 HydrophobicContact CD2-CD2 4.25Å; F697-L706 HydrophobicContact CE1-CD1 3.87Å; F697-L706 HydrophobicContact CE1-CD2 3.8Å; F697-L706 HydrophobicContact CE1-CG 3.78Å; F697-L706 HydrophobicContact CE2-CD2 3.47Å; F697-L706 VanDerWaalsContact CE2-CD2 3.47Å; F697-L706 HydrophobicContact CE2-CG 4.21Å; F697-L706 HydrophobicContact CZ-CD1 4.08Å; F697-L706 HydrophobicContact CZ-CD2 3.22Å; F697-L706 HydrophobicContact CZ-CG 3.44Å; F697-L706 VanDerWaalsContact CZ-CG 3.44Å
698K94.5Very high92.2Very high103 Ų10369.1 Ų69.145%0.44835%0.35SS..Hα-helixtrans-63.3-35.5-179.9-78.5176.8153.6175.50113.7Y694 D695 Q696Y694-K698 HydrophobicContact CD1-CD 4.24Å; Y694-K698 HydrophobicContact CE1-CD 3.85Å; Y694-K698 VanDerWaalsContact CE1-NZ 3.32Å; Y694-K698 HydrophobicContact CE2-CD 4.36Å; Y694-K698 HydrophobicContact CE2-CG 4.16Å; Y694-K698 PolarHBondContact O-N 3.32Å; Y694-K698 WeakPolarHBondContact OH-CE 3.25Å; D695-K698 PolarHBondContact O-N 3.47Å; D695-K698 VanDerWaalsContact O-N 3.15Å; Q696-K698 PolarHBondContact O-N 2.92Å
699E94.2Very high91.5Very high158 Ų15867.1 Ų67.174%0.73834%0.337SS*.Hα-helixtrans-67.9-36.1-179.1-75.5178.8175.400112.4D695 Q696 F697D695-E699 WeakPolarHBondContact O-CG 3.32Å; D695-E699 PolarHBondContact O-N 2.83Å; Q696-E699 PolarHBondContact O-N 3.28Å; F697-E699 VanDerWaalsContact C-N 3.32Å; F697-E699 PolarHBondContact O-N 3.29Å
700V94.1Very high90.7Very high78 Ų7872.1 Ų72.147%0.47336%0.356SS..Hα-helixtrans-117.6-14.2-166.9-57.40000115.1T568 I569 Q696 F697T568-V700 HydrophobicContact CG2-CB 4.17Å; T568-V700 HydrophobicContact CG2-CG2 3.78Å; I569-V700 HydrophobicContact CG2-CG2 3.33Å; Q696-V700 WeakPolarHBondContact O-CG2 3.35Å; Q696-V700 PolarHBondContact O-N 3.35Å; F697-V700 PolarHBondContact O-N 3.48Å
701L91.8Very high89.8Confident10 Ų1073.6 Ų73.65%0.05237%0.367CS..SBendtrans-128.9140.6-174.4-63.5161.9000111.9R564 Q565 I569 F697R564-L701 HydrophobicContact CB-CD2 4.26Å; R564-L701 HydrophobicContact CG-CD2 3.73Å; Q565-L701 HydrophobicContact CB-CD1 3.84Å; Q565-L701 HydrophobicContact CG-CD1 3.88Å; I569-L701 HydrophobicContact CD1-CD1 3.91Å; I569-L701 HydrophobicContact CG1-CD1 4.03Å; I569-L701 HydrophobicContact CG2-CD1 4.34Å; F697-L701 HydrophobicContact CD2-CB 4.09Å; F697-L701 HydrophobicContact CD2-CD1 3.49Å; F697-L701 VanDerWaalsContact CD2-CD1 3.49Å; F697-L701 HydrophobicContact CD2-CG 4.42Å; F697-L701 HydrophobicContact CE1-CB 4.45Å; F697-L701 HydrophobicContact CE2-CB 3.82Å; F697-L701 HydrophobicContact CE2-CD1 3.65Å; F697-L701 HydrophobicContact CE2-CG 4.38Å; F697-L701 HydrophobicContact CG-CB 4.49Å; F697-L701 HydrophobicContact CG-CD1 4.36Å; F697-L701 HydrophobicContact CZ-CB 3.99Å; F697-L701 WeakPolarHBondContact O-CA 3.27Å; F697-L701 WeakPolarHBondContact O-CB 3.33Å; F697-L701 PolarHBondContact O-N 2.92Å
702P88.3Confident88.9Confident60 Ų6076.7 Ų76.739%0.3939%0.394SS..  trans-72.4151.8173.430.1-33.4000111.2D704 C705P702-D704 PolarHBondContact O-N 3.48Å; P702-D704 VanDerWaalsContact O-N 3.14Å; P702-C705 WeakPolarHBondContact O-CB 3.43Å; P702-C705 PolarHBondContact O-N 3.35Å; P702-C705 PolarHBondContact O-SG 3.5Å
703E80.2Confident88.5Confident145 Ų14577.2 Ų77.268%0.67840%0.395SS*.G310 helixtrans-59.1-27179.6-66.7-166160.500113.2C705 L706E703-C705 PolarHBondContact O-N 3.29Å; E703-L706 WeakPolarHBondContact O-CB 3.3Å; E703-L706 PolarHBondContact O-N 2.98Å
704D84.1Confident88.2Confident157 Ų15780.3 Ų80.384%0.8442%0.415SS*.G310 helixtrans-60.7-12.9175.4-66.8-24.1000113.9P702 L706P702-D704 PolarHBondContact O-N 3.48Å; P702-D704 VanDerWaalsContact O-N 3.14Å; D704-L706 VanDerWaalsContact C-N 3.27Å
705C85.3Confident88Confident6 Ų680.5 Ų80.54%0.04142%0.416CS..G310 helixtrans-74.1-17.4173.7-63.20000113.2F697 P702 E703 N748F697-C705 HydrophobicContact CE2-CB 4.19Å; F697-C705 HydrophobicContact CZ-CB 4.03Å; P702-C705 WeakPolarHBondContact O-CB 3.43Å; P702-C705 PolarHBondContact O-N 3.35Å; P702-C705 PolarHBondContact O-SG 3.5Å; E703-C705 PolarHBondContact O-N 3.29Å; C705-N748 PolarHBondContact O-ND2 2.9Å
706L87.9Confident87.9Confident36 Ų3679.1 Ų79.119%0.18841%0.412CS..SBendtrans-84152.1-178.4-59.4-175.9000111.9F697 E703 D704 L715 R746 L747F697-L706 HydrophobicContact CD2-CD2 4.25Å; F697-L706 HydrophobicContact CE1-CD1 3.87Å; F697-L706 HydrophobicContact CE1-CD2 3.8Å; F697-L706 HydrophobicContact CE1-CG 3.78Å; F697-L706 HydrophobicContact CE2-CD2 3.47Å; F697-L706 VanDerWaalsContact CE2-CD2 3.47Å; F697-L706 HydrophobicContact CE2-CG 4.21Å; F697-L706 HydrophobicContact CZ-CD1 4.08Å; F697-L706 HydrophobicContact CZ-CD2 3.22Å; F697-L706 HydrophobicContact CZ-CG 3.44Å; F697-L706 VanDerWaalsContact CZ-CG 3.44Å; E703-L706 WeakPolarHBondContact O-CB 3.3Å; E703-L706 PolarHBondContact O-N 2.98Å; D704-L706 VanDerWaalsContact C-N 3.27Å; L706-L715 HydrophobicContact CD1-CD2 3.88Å; L706-R746 WeakPolarHBondContact CD2-O 3.28Å; L706-L747 HydrophobicContact CD2-CD2 4.23Å
707P85.3Confident87.9Confident48 Ų4879.3 Ų79.331%0.31242%0.415SS..PPolyproline II helixtrans-60.1141.7172.4-20.834.5000111.4T709 R746 N748P707-T709 PolarHBondContact O-N 2.94Å; P707-R746 VanDerWaalsContact CD-O 3.23Å; P707-R746 WeakPolarHBondContact CD-O 3.4Å; P707-N748 WeakPolarHBondContact CD-OD1 3.12Å; P707-N748 WeakPolarHBondContact CG-OD1 3.38Å
708R81Confident87.9Confident225 Ų22579.7 Ų79.785%0.84942%0.417SS*.PPolyproline II helixtrans-67.6131.7170.1-63.8-177.6-178.9-176.8-1109.6
709T81.6Confident88Confident52 Ų5275.3 Ų75.332%0.31940%0.399SS..  trans-114.4148.9173.6174.40000109.4P707 S711 E777P707-T709 PolarHBondContact O-N 2.94Å; T709-S711 VanDerWaalsContact OG1-CB 3.26Å; T709-S711 WeakPolarHBondContact OG1-CB 3.3Å; T709-S711 PolarHBondContact OG1-N 3.47Å; T709-E777 WeakPolarHBondContact CA-OE2 3.44Å; T709-E777 PolarHBondContact OG1-OE1 2.86Å; T709-E777 PolarHBondContact OG1-OE2 3.44Å
710R80.9Confident88.2Confident169 Ų16974 Ų7464%0.63839%0.391SS*.  trans-91.7-5.8170.3-60.9-167.4-177.3176.4-7.5113E777R710-E777 VanDerWaalsContact CD-O 3.26Å; R710-E777 WeakPolarHBondContact CD-O 3.49Å; R710-E777 PolarHBondContact N-OE2 3.37Å
711S79.8Confident88.3Confident32 Ų3273.7 Ų73.722%0.22439%0.386CS..  trans-71.5139.7179.7-178.20000111.6T709 R746T709-S711 VanDerWaalsContact OG1-CB 3.26Å; T709-S711 WeakPolarHBondContact OG1-CB 3.3Å; T709-S711 PolarHBondContact OG1-N 3.47Å; S711-R746 PolarHBondContact OG-NH2 3.08Å
712A79.6Confident88.6Confident103 Ų10373.2 Ų73.285%0.85138%0.383SS*.SBendtrans-74-23.4178.100000113.8
713T88.4Confident89Confident68 Ų6872.4 Ų72.442%0.41738%0.379SS..SBendtrans-74.7134.1-178.8-49.10000109.8D717 I718 R746T713-D717 HydrophobicContact CG2-CB 3.81Å; T713-I718 HydrophobicContact CG2-CG1 3.82Å; T713-R746 PolarHBondContact O-NH1 2.89Å
714T91.1Very high89.8Confident67 Ų6770.5 Ų70.541%0.41137%0.37SS..  trans-81.9160.3178.574.70000112.1P716 D717 I718T714-P716 WeakPolarHBondContact OG1-CD 3.38Å; T714-D717 WeakPolarHBondContact CB-OD2 3.48Å; T714-D717 PolarHBondContact N-OD2 3.4Å; T714-D717 WeakPolarHBondContact O-CB 3.42Å; T714-D717 PolarHBondContact O-N 3.14Å; T714-D717 PolarHBondContact OG1-N 2.9Å; T714-D717 PolarHBondContact OG1-OD2 2.87Å; T714-I718 WeakPolarHBondContact O-CG1 3.32Å; T714-I718 PolarHBondContact O-N 3.49Å
715L92.3Very high90.5Very high14 Ų1463.7 Ų63.77%0.07333%0.334CS..Hα-helixtrans-60.8-43175.9179.661.7000113.4Y694 L706 D717 I718 L719 A743 R746 L747Y694-L715 HydrophobicContact CD2-CD2 4.04Å; Y694-L715 HydrophobicContact CE2-CD2 3.47Å; Y694-L715 VanDerWaalsContact CE2-CD2 3.47Å; Y694-L715 HydrophobicContact CE2-CG 4.03Å; L706-L715 HydrophobicContact CD1-CD2 3.88Å; L715-D717 VanDerWaalsContact C-N 3.27Å; L715-D717 PolarHBondContact O-N 3.27Å; L715-I718 PolarHBondContact O-N 2.74Å; L715-L719 HydrophobicContact CD1-CG 4.44Å; L715-L719 HydrophobicContact CG-CD1 4.46Å; L715-L719 WeakPolarHBondContact O-CG 3.31Å; L715-L719 PolarHBondContact O-N 2.78Å; L715-A743 HydrophobicContact CD1-CB 4.17Å; L715-R746 HydrophobicContact CD1-CB 4.07Å; L715-L747 HydrophobicContact CD1-CG 4.41Å; L715-L747 HydrophobicContact CD2-CD1 4.49Å; L715-L747 HydrophobicContact CD2-CD2 3.61Å; L715-L747 HydrophobicContact CD2-CG 3.79Å
716P94Very high91Very high53 Ų5364.2 Ų64.234%0.34434%0.337SS..Hα-helixtrans-53.4-42169.6-24.330.3000113.7Y694 T714 L719 K720Y694-P716 HydrophobicContact CE1-CG 4.45Å; Y694-P716 VanDerWaalsContact OH-CD 3.27Å; Y694-P716 WeakPolarHBondContact OH-CD 3.4Å; Y694-P716 VanDerWaalsContact OH-CG 3.27Å; Y694-P716 WeakPolarHBondContact OH-CG 3.2Å; T714-P716 WeakPolarHBondContact OG1-CD 3.38Å; P716-L719 PolarHBondContact O-N 2.95Å; P716-K720 WeakPolarHBondContact O-CB 3.39Å; P716-K720 PolarHBondContact O-N 3.05Å
717D95.8Very high91.3Very high78 Ų7867.6 Ų67.642%0.41736%0.355SS..Hα-helixtrans-66.8-38.7179.9-63.2-39.6000111.6T713 T714 L715 K720 L721T713-D717 HydrophobicContact CG2-CB 3.81Å; T714-D717 WeakPolarHBondContact CB-OD2 3.48Å; T714-D717 PolarHBondContact N-OD2 3.4Å; T714-D717 WeakPolarHBondContact O-CB 3.42Å; T714-D717 PolarHBondContact O-N 3.14Å; T714-D717 PolarHBondContact OG1-N 2.9Å; T714-D717 PolarHBondContact OG1-OD2 2.87Å; L715-D717 VanDerWaalsContact C-N 3.27Å; L715-D717 PolarHBondContact O-N 3.27Å; D717-K720 PolarHBondContact O-N 3.02Å; D717-L721 VanDerWaalsContact O-CB 3.31Å; D717-L721 WeakPolarHBondContact O-CB 3.46Å; D717-L721 PolarHBondContact O-N 2.82Å
718I95.9Very high91.7Very high11 Ų1167.5 Ų67.56%0.05636%0.358CS..Hα-helixtrans-62.3-44.7174.6-66.2164.7000110.6T713 T714 L715 L721 L722 Q739 E742 A743T713-I718 HydrophobicContact CG2-CG1 3.82Å; T714-I718 WeakPolarHBondContact O-CG1 3.32Å; T714-I718 PolarHBondContact O-N 3.49Å; L715-I718 PolarHBondContact O-N 2.74Å; I718-L721 PolarHBondContact O-N 3.41Å; I718-L722 VanDerWaalsContact O-CB 3.31Å; I718-L722 WeakPolarHBondContact O-CB 3.41Å; I718-L722 PolarHBondContact O-N 2.9Å; I718-Q739 HydrophobicContact CG2-CB 4.24Å; I718-E742 HydrophobicContact CD1-CG 3.79Å; I718-A743 HydrophobicContact CG2-CB 4Å
719L97.1Very high92Very high12 Ų1267.4 Ų67.46%0.06336%0.364CS..Hα-helixtrans-66-38.6178.5-67.8174.4000112M687 L690 Y694 L715 P716 L722 S723 A743M687-L719 HydrophobicContact CE-CB 4.42Å; M687-L719 HydrophobicContact CE-CD2 4.21Å; L690-L719 HydrophobicContact CD1-CD2 4.43Å; L690-L719 HydrophobicContact CD2-CD2 3.65Å; L690-L719 HydrophobicContact CG-CD2 3.78Å; Y694-L719 HydrophobicContact CD1-CD1 3.14Å; Y694-L719 HydrophobicContact CD2-CD1 4.21Å; Y694-L719 HydrophobicContact CE1-CD1 3.51Å; Y694-L719 HydrophobicContact CG-CD1 3.48Å; Y694-L719 VanDerWaalsContact CG-CD1 3.48Å; L715-L719 HydrophobicContact CD1-CG 4.44Å; L715-L719 HydrophobicContact CG-CD1 4.46Å; L715-L719 WeakPolarHBondContact O-CG 3.31Å; L715-L719 PolarHBondContact O-N 2.78Å; P716-L719 PolarHBondContact O-N 2.95Å; L719-L722 PolarHBondContact O-N 3.37Å; L719-S723 WeakPolarHBondContact O-CB 3.42Å; L719-S723 PolarHBondContact O-N 3.07Å; L719-A743 HydrophobicContact CD2-CB 4.08Å
720K97Very high92.5Very high131 Ų13169.5 Ų69.557%0.5737%0.368SS*.Hα-helixtrans-62.5-46.9173.8-176.4179.7179.7-178.90111.1P716 D717 S723 Q724P716-K720 WeakPolarHBondContact O-CB 3.39Å; P716-K720 PolarHBondContact O-N 3.05Å; D717-K720 PolarHBondContact O-N 3.02Å; K720-S723 PolarHBondContact O-N 3.28Å; K720-Q724 VanDerWaalsContact O-CG 3.29Å; K720-Q724 WeakPolarHBondContact O-CG 3.5Å; K720-Q724 PolarHBondContact O-N 3.49Å
721L96.9Very high93Very high71 Ų7165.3 Ų65.337%0.37237%0.365SS..Hα-helixtrans-66.1-39.2179.2-172.463000111.7D717 I718 Q724 N725 Q739D717-L721 VanDerWaalsContact O-CB 3.31Å; D717-L721 WeakPolarHBondContact O-CB 3.46Å; D717-L721 PolarHBondContact O-N 2.82Å; I718-L721 PolarHBondContact O-N 3.41Å; L721-Q724 WeakPolarHBondContact O-CB 3.46Å; L721-Q724 PolarHBondContact O-N 3.18Å; L721-N725 WeakPolarHBondContact O-CB 3.3Å; L721-N725 PolarHBondContact O-N 3.2Å; L721-Q739 HydrophobicContact CD2-CG 4.41Å; L721-Q739 PolarHBondContact O-OE1 3.49Å
722L98Very high93.6Very high0 Ų064.6 Ų64.60%036%0.358CS..Hα-helixtrans-60.6-47.7173.2-179.659.1000111.1F659 M687 L690 I718 L719 Q724 N725 V726 I736 Q739 A740F659-L722 HydrophobicContact CE1-CD1 4.39Å; F659-L722 HydrophobicContact CE1-CD2 4.44Å; F659-L722 HydrophobicContact CE2-CD2 4.4Å; F659-L722 HydrophobicContact CZ-CD2 3.94Å; M687-L722 HydrophobicContact CE-CD2 4.39Å; M687-L722 HydrophobicContact SD-CB 4.08Å; M687-L722 HydrophobicContact SD-CD2 3.63Å; M687-L722 HydrophobicContact SD-CG 3.52Å; M687-L722 VanDerWaalsContact SD-CG 3.52Å; L690-L722 HydrophobicContact CD2-CD2 3.69Å; I718-L722 VanDerWaalsContact O-CB 3.31Å; I718-L722 WeakPolarHBondContact O-CB 3.41Å; I718-L722 PolarHBondContact O-N 2.9Å; L719-L722 PolarHBondContact O-N 3.37Å; L722-Q724 VanDerWaalsContact C-N 3.33Å; L722-Q724 PolarHBondContact O-N 3.05Å; L722-N725 PolarHBondContact O-N 3.28Å; L722-V726 HydrophobicContact CD1-CG2 4.21Å; L722-V726 HydrophobicContact CG-CG2 4.49Å; L722-V726 VanDerWaalsContact O-CG2 3.28Å; L722-V726 WeakPolarHBondContact O-CG2 3.47Å; L722-V726 PolarHBondContact O-N 3.08Å; L722-I736 HydrophobicContact CD1-CB 4.27Å; L722-I736 HydrophobicContact CD1-CG2 3.84Å; L722-I736 VanDerWaalsContact CD1-O 3.27Å; L722-I736 WeakPolarHBondContact CD1-O 3.44Å; L722-Q739 VanDerWaalsContact CA-OE1 3.24Å; L722-Q739 HydrophobicContact CB-CB 4.05Å; L722-Q739 HydrophobicContact CD1-CB 4.03Å; L722-A740 HydrophobicContact CD1-CB 4.24Å; L722-A740 HydrophobicContact CD2-CB 4.02Å
723S97.6Very high94.4Very high43 Ų4360 Ų6030%0.30132%0.319SS..Hα-helixtrans-59.9-42.8176.2-177.40000111.9L719 K720 N725 V726 N727L719-S723 WeakPolarHBondContact O-CB 3.42Å; L719-S723 PolarHBondContact O-N 3.07Å; K720-S723 PolarHBondContact O-N 3.28Å; S723-N725 VanDerWaalsContact C-N 3.35Å; S723-N725 PolarHBondContact O-N 3.12Å; S723-V726 PolarHBondContact O-N 3.28Å; S723-N727 PolarHBondContact O-N 3.38Å; S723-N727 VanDerWaalsContact O-N 3.11Å; S723-N727 PolarHBondContact O-ND2 2.9Å
724Q97.1Very high94.7Very high104 Ų10457.3 Ų57.349%0.48630%0.303SS..Hα-helixtrans-60.7-44.5174.4-72.4170.8-9.700111.6K720 L721 L722 N727 A728K720-Q724 VanDerWaalsContact O-CG 3.29Å; K720-Q724 WeakPolarHBondContact O-CG 3.5Å; K720-Q724 PolarHBondContact O-N 3.49Å; L721-Q724 WeakPolarHBondContact O-CB 3.46Å; L721-Q724 PolarHBondContact O-N 3.18Å; L722-Q724 VanDerWaalsContact C-N 3.33Å; L722-Q724 PolarHBondContact O-N 3.05Å; Q724-N727 CarbonylContact O-C 3.51Å; Q724-N727 PolarHBondContact O-N 3.21Å; Q724-A728 WeakPolarHBondContact O-CB 3.47Å; Q724-A728 PolarHBondContact O-N 2.75Å
725N97.3Very high95Very high14 Ų1457 Ų578%0.07530%0.296CS..Hα-helixtrans-68.8-34-179.7-92.4-33.5000113.7L721 L722 S723 N727 A728 N733 E735 I736 Q739L721-N725 WeakPolarHBondContact O-CB 3.3Å; L721-N725 PolarHBondContact O-N 3.2Å; L722-N725 PolarHBondContact O-N 3.28Å; S723-N725 VanDerWaalsContact C-N 3.35Å; S723-N725 PolarHBondContact O-N 3.12Å; N725-N727 VanDerWaalsContact C-N 3.33Å; N725-A728 PolarHBondContact O-N 3.24Å; N725-N733 WeakPolarHBondContact CB-ND2 3.47Å; N725-N733 PolarHBondContact O-ND2 3.44Å; N725-N733 PolarHBondContact OD1-ND2 2.99Å; N725-E735 WeakPolarHBondContact ND2-CB 3.48Å; N725-E735 PolarHBondContact ND2-OE2 2.84Å; N725-I736 HydrophobicContact CB-CG1 3.88Å; N725-Q739 VanDerWaalsContact ND2-CD 3.33Å; N725-Q739 PolarHBondContact ND2-NE2 3.49Å; N725-Q739 PolarHBondContact ND2-OE1 2.87Å
726V96.7Very high95.3Very high17 Ų1756.8 Ų56.810%0.10330%0.295CS..Hα-helixtrans-66.6-36.6173.4169.10000111.1F659 N683 M684 L722 S723 I736F659-V726 HydrophobicContact CE1-CG2 4.08Å; N683-V726 HydrophobicContact CB-CG1 4.06Å; N683-V726 HydrophobicContact CB-CG2 4.35Å; M684-V726 HydrophobicContact CB-CG1 4.36Å; L722-V726 HydrophobicContact CD1-CG2 4.21Å; L722-V726 HydrophobicContact CG-CG2 4.49Å; L722-V726 VanDerWaalsContact O-CG2 3.28Å; L722-V726 WeakPolarHBondContact O-CG2 3.47Å; L722-V726 PolarHBondContact O-N 3.08Å; S723-V726 PolarHBondContact O-N 3.28Å; V726-I736 HydrophobicContact CG2-CD1 4.3Å; V726-I736 HydrophobicContact CG2-CG1 4.29Å; V726-I736 HydrophobicContact CG2-CG2 4.06Å
727N94.6Very high95.5Very high108 Ų10854.2 Ų54.258%0.57828%0.279SS*.Hα-helixtrans-83.7-11.7177.1-68.6-53.3000113.5S723 Q724 N725S723-N727 PolarHBondContact O-N 3.38Å; S723-N727 VanDerWaalsContact O-N 3.11Å; S723-N727 PolarHBondContact O-ND2 2.9Å; Q724-N727 CarbonylContact O-C 3.51Å; Q724-N727 PolarHBondContact O-N 3.21Å; N725-N727 VanDerWaalsContact C-N 3.33Å
728A93.8Very high95.5Very high45 Ų4553.1 Ų53.137%0.37227%0.269SS..SBendtrans-80.4129.9-178.200000111.5Q724 N725 K730Q724-A728 WeakPolarHBondContact O-CB 3.47Å; Q724-A728 PolarHBondContact O-N 2.75Å; N725-A728 PolarHBondContact O-N 3.24Å; A728-K730 PolarHBondContact O-N 3.21Å
729K86.9Confident95.5Very high223 Ų22353.7 Ų53.797%0.9727%0.271SS*.  trans-79.469.2172-65-173.2179.3-176.70111.1
730K92.1Very high95.6Very high96 Ų9653.1 Ų53.142%0.41727%0.268SS..  trans-111.7126.5178.5175.2172166.3-162.80110.2A728 K732 N733 E735A728-K730 PolarHBondContact O-N 3.21Å; K730-K732 PolarHBondContact O-N 2.77Å; K730-N733 HydrophobicContact CB-CB 3.98Å; K730-N733 HydrophobicContact CD-CB 4.23Å; K730-N733 WeakPolarHBondContact CD-OD1 3.39Å; K730-N733 WeakPolarHBondContact CE-OD1 3.3Å; K730-N733 HydrophobicContact CG-CB 4.02Å; K730-N733 PolarHBondContact NZ-OD1 2.93Å; K730-N733 PolarHBondContact O-N 3.3Å; K730-E735 IonicContact NZ-OE1 2.64Å; K730-E735 PolarHBondContact NZ-OE1 3.01Å; K730-E735 IonicContact NZ-OE2 3.57Å; K730-E735 PolarHBondContact NZ-OE2 3.33Å
731S91.1Very high95.6Very high81 Ų8147 Ų4757%0.56624%0.242SC*.THydrogen-bonded Turntrans-57.7129.7175.4169.40000110.1E671 N733E671-S731 WeakPolarHBondContact OE2-CB 3.14Å; E671-S731 PolarHBondContact OE2-OG 3.44Å; S731-N733 VanDerWaalsContact C-N 3.34Å; S731-N733 PolarHBondContact O-N 3.35Å
732K92.8Very high95.6Very high17 Ų1744.2 Ų44.27%0.07423%0.227CC..THydrogen-bonded Turntrans42.655.8-179.3-54.1-174.5-176.1-1710113I663 N664 Q667 T668 E671 K730 V734 A820I663-K732 PolarHBondContact O-NZ 3.45Å; N664-K732 PolarHBondContact O-NZ 2.62Å; Q667-K732 HydrophobicContact CG-CG 4.22Å; T668-K732 WeakPolarHBondContact OG1-CE 3.45Å; T668-K732 PolarHBondContact OG1-NZ 3.27Å; E671-K732 WeakPolarHBondContact OE1-CG 3.45Å; E671-K732 PolarHBondContact OE1-N 2.52Å; K730-K732 PolarHBondContact O-N 2.77Å; K732-V734 PolarHBondContact O-N 3.42Å; K732-A820 PolarHBondContact NZ-O 2.89Å
733N95.3Very high95.5Very high6 Ų644.2 Ų44.23%0.03223%0.227CC..  trans-69.875.9-176.3-163.38.5000113N725 K730 S731 E735 I736N725-N733 WeakPolarHBondContact CB-ND2 3.47Å; N725-N733 PolarHBondContact O-ND2 3.44Å; N725-N733 PolarHBondContact OD1-ND2 2.99Å; K730-N733 HydrophobicContact CB-CB 3.98Å; K730-N733 HydrophobicContact CD-CB 4.23Å; K730-N733 WeakPolarHBondContact CD-OD1 3.39Å; K730-N733 WeakPolarHBondContact CE-OD1 3.3Å; K730-N733 HydrophobicContact CG-CB 4.02Å; K730-N733 PolarHBondContact NZ-OD1 2.93Å; K730-N733 PolarHBondContact O-N 3.3Å; S731-N733 VanDerWaalsContact C-N 3.34Å; S731-N733 PolarHBondContact O-N 3.35Å; N733-E735 PolarHBondContact O-N 2.93Å; N733-E735 VanDerWaalsContact O-N 3.14Å; N733-I736 HydrophobicContact CB-CD1 4.11Å; N733-I736 HydrophobicContact CB-CG1 4.36Å; N733-I736 WeakPolarHBondContact O-CB 3.48Å; N733-I736 WeakPolarHBondContact O-CG1 3.42Å; N733-I736 PolarHBondContact O-N 3.26Å
734V96.3Very high95.5Very high13 Ų1342.1 Ų42.18%0.07921%0.213CC..THydrogen-bonded Turntrans-64.6-15.2-177.7-67.80000114V661 I663 K732 I736 L737 W738 P822 Y825V661-V734 HydrophobicContact CG1-CG1 4.2Å; I663-V734 HydrophobicContact CG2-CG1 3.75Å; K732-V734 PolarHBondContact O-N 3.42Å; V734-I736 PolarHBondContact O-N 3.42Å; V734-L737 WeakPolarHBondContact O-CB 3.19Å; V734-L737 PolarHBondContact O-N 3.32Å; V734-W738 HydrophobicContact CB-CZ2 4.22Å; V734-W738 HydrophobicContact CG2-CH2 3.78Å; V734-W738 HydrophobicContact CG2-CZ2 3.47Å; V734-W738 VanDerWaalsContact CG2-CZ2 3.47Å; V734-W738 PolarHBondContact O-N 3.29Å; V734-P822 HydrophobicContact CG1-CG 3.98Å; V734-Y825 HydrophobicContact CB-CE2 3.96Å; V734-Y825 HydrophobicContact CG1-CD2 4.46Å; V734-Y825 HydrophobicContact CG1-CE2 3.87Å; V734-Y825 HydrophobicContact CG2-CE2 4.14Å
735E96.6Very high95.4Very high59 Ų5939 Ų3928%0.27620%0.196SC..Hα-helixtrans-62.5-28.2174.7-70.3171.1-152.200112.5N725 K730 N733 L737 W738 Q739N725-E735 WeakPolarHBondContact ND2-CB 3.48Å; N725-E735 PolarHBondContact ND2-OE2 2.84Å; K730-E735 IonicContact NZ-OE1 2.64Å; K730-E735 PolarHBondContact NZ-OE1 3.01Å; K730-E735 IonicContact NZ-OE2 3.57Å; K730-E735 PolarHBondContact NZ-OE2 3.33Å; N733-E735 PolarHBondContact O-N 2.93Å; N733-E735 VanDerWaalsContact O-N 3.14Å; E735-L737 PolarHBondContact O-N 3.39Å; E735-W738 HydrophobicContact CB-CE3 4.32Å; E735-W738 HydrophobicContact CG-CE3 3.74Å; E735-W738 HydrophobicContact CG-CZ3 3.68Å; E735-W738 PolarHBondContact O-N 2.96Å; E735-Q739 WeakPolarHBondContact O-CB 3.49Å; E735-Q739 WeakPolarHBondContact O-CG 3.41Å; E735-Q739 PolarHBondContact O-N 3.24Å; E735-Q739 PolarHBondContact O-OE1 2.9Å
736I97.9Very high95.2Very high10 Ų1039.2 Ų39.25%0.05120%0.196CC..Hα-helixtrans-54.3-45.3171.2-63.6173000109.7F659 V661 L722 N725 V726 N733 V734 A740F659-I736 HydrophobicContact CB-CG2 4.29Å; F659-I736 HydrophobicContact CD1-CG2 3.63Å; F659-I736 HydrophobicContact CE1-CG2 4.33Å; F659-I736 HydrophobicContact CG-CG2 4.25Å; V661-I736 HydrophobicContact CG2-CB 4.15Å; V661-I736 HydrophobicContact CG2-CD1 4.3Å; L722-I736 HydrophobicContact CD1-CB 4.27Å; L722-I736 HydrophobicContact CD1-CG2 3.84Å; L722-I736 VanDerWaalsContact CD1-O 3.27Å; L722-I736 WeakPolarHBondContact CD1-O 3.44Å; N725-I736 HydrophobicContact CB-CG1 3.88Å; V726-I736 HydrophobicContact CG2-CD1 4.3Å; V726-I736 HydrophobicContact CG2-CG1 4.29Å; V726-I736 HydrophobicContact CG2-CG2 4.06Å; N733-I736 HydrophobicContact CB-CD1 4.11Å; N733-I736 HydrophobicContact CB-CG1 4.36Å; N733-I736 WeakPolarHBondContact O-CB 3.48Å; N733-I736 WeakPolarHBondContact O-CG1 3.42Å; N733-I736 PolarHBondContact O-N 3.26Å; V734-I736 PolarHBondContact O-N 3.42Å; I736-A740 WeakPolarHBondContact O-CB 3.4Å; I736-A740 PolarHBondContact O-N 3.35Å
737L97.9Very high95.2Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-69.2-44.2-178.3-55-173.3000111.2E576 L578 F659 V661 V734 E735 Q739 A740 A741E576-L737 HydrophobicContact CG-CB 4.28Å; E576-L737 HydrophobicContact CG-CD1 3.89Å; E576-L737 HydrophobicContact CG-CD2 4.02Å; E576-L737 HydrophobicContact CG-CG 4.27Å; L578-L737 HydrophobicContact CD2-CD1 3.44Å; L578-L737 VanDerWaalsContact CD2-CD1 3.44Å; F659-L737 HydrophobicContact CB-CD2 4.04Å; V661-L737 HydrophobicContact CB-CD1 3.93Å; V661-L737 HydrophobicContact CB-CD2 4.16Å; V661-L737 HydrophobicContact CB-CG 3.98Å; V661-L737 HydrophobicContact CG2-CD1 4.35Å; V661-L737 HydrophobicContact CG2-CD2 3.79Å; V661-L737 HydrophobicContact CG2-CG 3.83Å; V734-L737 WeakPolarHBondContact O-CB 3.19Å; V734-L737 PolarHBondContact O-N 3.32Å; E735-L737 PolarHBondContact O-N 3.39Å; L737-Q739 PolarHBondContact O-N 3.33Å; L737-A740 PolarHBondContact O-N 2.96Å; L737-A741 WeakPolarHBondContact O-CB 3.3Å; L737-A741 PolarHBondContact O-N 2.9Å
738W96.3Very high95.2Very high55 Ų5533.4 Ų33.421%0.20816%0.164CC..Hα-helixtrans-62.7-44.2-179.9-55.3-20.2000112.1V734 E735 A741 E742 L768 Q824 Y825V734-W738 HydrophobicContact CB-CZ2 4.22Å; V734-W738 HydrophobicContact CG2-CH2 3.78Å; V734-W738 HydrophobicContact CG2-CZ2 3.47Å; V734-W738 VanDerWaalsContact CG2-CZ2 3.47Å; V734-W738 PolarHBondContact O-N 3.29Å; E735-W738 HydrophobicContact CB-CE3 4.32Å; E735-W738 HydrophobicContact CG-CE3 3.74Å; E735-W738 HydrophobicContact CG-CZ3 3.68Å; E735-W738 PolarHBondContact O-N 2.96Å; W738-A741 PolarHBondContact O-N 3.44Å; W738-E742 WeakPolarHBondContact O-CB 3.48Å; W738-E742 PolarHBondContact O-N 3.14Å; W738-L768 HydrophobicContact CZ2-CD2 3.99Å; W738-Q824 VanDerWaalsContact CZ2-OE1 3.26Å; W738-Y825 HydrophobicContact CZ2-CE2 4.03Å; W738-Y825 AromaticContact NE1-CE2 3.87Å; W738-Y825 AromaticContact NE1-CZ 3.83Å; W738-Y825 PolarHBondContact NE1-OH 3.01Å
739Q97.3Very high95.3Very high22 Ų2231.6 Ų31.610%0.10315%0.15CC..Hα-helixtrans-71.3-41-179.7-71.1157.25.200111.7I718 L721 L722 N725 E735 L737 A741 E742 A743I718-Q739 HydrophobicContact CG2-CB 4.24Å; L721-Q739 HydrophobicContact CD2-CG 4.41Å; L721-Q739 PolarHBondContact O-OE1 3.49Å; L722-Q739 VanDerWaalsContact CA-OE1 3.24Å; L722-Q739 HydrophobicContact CB-CB 4.05Å; L722-Q739 HydrophobicContact CD1-CB 4.03Å; N725-Q739 VanDerWaalsContact ND2-CD 3.33Å; N725-Q739 PolarHBondContact ND2-NE2 3.49Å; N725-Q739 PolarHBondContact ND2-OE1 2.87Å; E735-Q739 WeakPolarHBondContact O-CB 3.49Å; E735-Q739 WeakPolarHBondContact O-CG 3.41Å; E735-Q739 PolarHBondContact O-N 3.24Å; E735-Q739 PolarHBondContact O-OE1 2.9Å; L737-Q739 PolarHBondContact O-N 3.33Å; Q739-A741 VanDerWaalsContact C-N 3.32Å; Q739-A741 PolarHBondContact O-N 2.97Å; Q739-E742 PolarHBondContact O-N 3.21Å; Q739-A743 VanDerWaalsContact O-CB 3.28Å; Q739-A743 WeakPolarHBondContact O-CB 3.5Å; Q739-A743 PolarHBondContact O-N 2.9Å
740A98.1Very high95.9Very high0 Ų021.4 Ų21.40%011%0.107CC..Hα-helixtrans-65-37.7175.100000112F659 L722 I736 L737 C744F659-A740 HydrophobicContact CB-CB 4.46Å; F659-A740 HydrophobicContact CD2-CB 3.48Å; F659-A740 VanDerWaalsContact CD2-CB 3.48Å; F659-A740 HydrophobicContact CE2-CB 3.75Å; F659-A740 HydrophobicContact CG-CB 3.95Å; F659-A740 HydrophobicContact CZ-CB 4.44Å; L722-A740 HydrophobicContact CD1-CB 4.24Å; L722-A740 HydrophobicContact CD2-CB 4.02Å; I736-A740 WeakPolarHBondContact O-CB 3.4Å; I736-A740 PolarHBondContact O-N 3.35Å; L737-A740 PolarHBondContact O-N 2.96Å; A740-C744 VanDerWaalsContact O-CB 3.28Å; A740-C744 WeakPolarHBondContact O-CB 3.2Å; A740-C744 PolarHBondContact O-N 3.13Å
741A97.2Very high96.1Very high2 Ų217.2 Ų17.22%0.0179%0.088CC..Hα-helixtrans-62.3-48.4174.900000111.6L737 W738 Q739 C744 R745L737-A741 WeakPolarHBondContact O-CB 3.3Å; L737-A741 PolarHBondContact O-N 2.9Å; W738-A741 PolarHBondContact O-N 3.44Å; Q739-A741 VanDerWaalsContact C-N 3.32Å; Q739-A741 PolarHBondContact O-N 2.97Å; A741-C744 PolarHBondContact O-N 2.93Å; A741-R745 WeakPolarHBondContact O-CG 3.5Å; A741-R745 PolarHBondContact O-N 3.27Å
742E96Very high96.5Very high13 Ų1313.3 Ų13.36%0.0616%0.061CC..Hα-helixtrans-65.5-45.8178.7-179.164.3-177.500112.2I718 W738 Q739 C744 R745 R746I718-E742 HydrophobicContact CD1-CG 3.79Å; W738-E742 WeakPolarHBondContact O-CB 3.48Å; W738-E742 PolarHBondContact O-N 3.14Å; Q739-E742 PolarHBondContact O-N 3.21Å; E742-C744 VanDerWaalsContact C-N 3.3Å; E742-C744 PolarHBondContact O-N 2.82Å; E742-R745 PolarHBondContact O-N 2.93Å; E742-R745 IonicContact OE2-CZ 3.53Å; E742-R745 VanDerWaalsContact OE2-CZ 3.22Å; E742-R745 IonicContact OE2-NE 2.69Å; E742-R745 PolarHBondContact OE2-NE 3.47Å; E742-R745 VanDerWaalsContact OE2-NE 3.1Å; E742-R745 IonicContact OE2-NH2 3.37Å; E742-R745 PolarHBondContact OE2-NH2 2.92Å; E742-R746 WeakPolarHBondContact O-CG 3.39Å; E742-R746 PolarHBondContact O-N 3.03Å; E742-R746 IonicContact OE1-CZ 3.39Å; E742-R746 IonicContact OE1-NE 3.22Å; E742-R746 PolarHBondContact OE1-NE 2.94Å; E742-R746 IonicContact OE1-NH2 3.03Å; E742-R746 PolarHBondContact OE1-NH2 3.41Å
743A96.8Very high96.8Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-56.9-44.717500000111.4L690 L715 I718 L719 Q739 R746 L747L690-A743 HydrophobicContact CD2-CB 4.38Å; L715-A743 HydrophobicContact CD1-CB 4.17Å; I718-A743 HydrophobicContact CG2-CB 4Å; L719-A743 HydrophobicContact CD2-CB 4.08Å; Q739-A743 VanDerWaalsContact O-CB 3.28Å; Q739-A743 WeakPolarHBondContact O-CB 3.5Å; Q739-A743 PolarHBondContact O-N 2.9Å; A743-R746 PolarHBondContact O-N 3.41Å; A743-L747 WeakPolarHBondContact O-CB 3.44Å; A743-L747 WeakPolarHBondContact O-CG 3.42Å; A743-L747 PolarHBondContact O-N 3.04Å
744C97.3Very high96.9Very high0 Ų012.2 Ų12.20%06%0.056CC..Hα-helixtrans-60.6-46.6176.4175.60000112.1Q574 A740 A741 E742 R746 L747 N748 G749 V750Q574-C744 HydrophobicContact CB-CB 3.65Å; Q574-C744 WeakPolarHBondContact CB-SG 3.41Å; Q574-C744 HydrophobicContact CG-CB 4.05Å; A740-C744 VanDerWaalsContact O-CB 3.28Å; A740-C744 WeakPolarHBondContact O-CB 3.2Å; A740-C744 PolarHBondContact O-N 3.13Å; A741-C744 PolarHBondContact O-N 2.93Å; E742-C744 VanDerWaalsContact C-N 3.3Å; E742-C744 PolarHBondContact O-N 2.82Å; C744-R746 VanDerWaalsContact C-N 3.33Å; C744-R746 PolarHBondContact O-N 3.35Å; C744-L747 CarbonylContact O-C 3.53Å; C744-L747 PolarHBondContact O-N 3.47Å; C744-N748 PolarHBondContact O-N 3.16Å; C744-G749 WeakPolarHBondContact O-CA 3.37Å; C744-G749 PolarHBondContact O-N 3.3Å; C744-G749 VanDerWaalsContact SG-CA 3.6Å; C744-V750 PolarHBondContact SG-O 3.21Å
745R95.2Very high96.9Very high38 Ų3811.7 Ų11.714%0.1435%0.053CC..Hα-helixtrans-59.6-44.3177.6-72.9-173.4-62.8-91.96.5111.8A741 E742 L747 N748 R751 E769A741-R745 WeakPolarHBondContact O-CG 3.5Å; A741-R745 PolarHBondContact O-N 3.27Å; E742-R745 PolarHBondContact O-N 2.93Å; E742-R745 IonicContact OE2-CZ 3.53Å; E742-R745 VanDerWaalsContact OE2-CZ 3.22Å; E742-R745 IonicContact OE2-NE 2.69Å; E742-R745 PolarHBondContact OE2-NE 3.47Å; E742-R745 VanDerWaalsContact OE2-NE 3.1Å; E742-R745 IonicContact OE2-NH2 3.37Å; E742-R745 PolarHBondContact OE2-NH2 2.92Å; R745-L747 VanDerWaalsContact C-N 3.29Å; R745-L747 PolarHBondContact O-N 3.15Å; R745-N748 PolarHBondContact O-N 3.46Å; R745-R751 HydrophobicContact CG-CG 4.24Å; R745-E769 IonicContact CZ-OE1 3.75Å; R745-E769 VanDerWaalsContact NH1-CD 3.33Å; R745-E769 VanDerWaalsContact NH1-CG 3.34Å; R745-E769 IonicContact NH1-OE1 3.78Å; R745-E769 PolarHBondContact NH1-OE1 2.83Å
746R93.8Very high96.8Very high18 Ų1811.3 Ų11.37%0.0685%0.05CC..Hα-helixtrans-69.3-24.1178.2-68.5-167.4-170-167.813.4113.9L706 P707 S711 T713 L715 E742 A743 C744 N748L706-R746 WeakPolarHBondContact CD2-O 3.28Å; P707-R746 VanDerWaalsContact CD-O 3.23Å; P707-R746 WeakPolarHBondContact CD-O 3.4Å; S711-R746 PolarHBondContact OG-NH2 3.08Å; T713-R746 PolarHBondContact O-NH1 2.89Å; L715-R746 HydrophobicContact CD1-CB 4.07Å; E742-R746 WeakPolarHBondContact O-CG 3.39Å; E742-R746 PolarHBondContact O-N 3.03Å; E742-R746 IonicContact OE1-CZ 3.39Å; E742-R746 IonicContact OE1-NE 3.22Å; E742-R746 PolarHBondContact OE1-NE 2.94Å; E742-R746 IonicContact OE1-NH2 3.03Å; E742-R746 PolarHBondContact OE1-NH2 3.41Å; A743-R746 PolarHBondContact O-N 3.41Å; C744-R746 VanDerWaalsContact C-N 3.33Å; C744-R746 PolarHBondContact O-N 3.35Å; R746-N748 VanDerWaalsContact C-N 3.29Å; R746-N748 PolarHBondContact O-N 2.68Å
747L95.4Very high96.6Very high0 Ų011.7 Ų11.70%05%0.054CC..THydrogen-bonded Turntrans-91.122.3174.6-74.9169.7000113.3Q565 L572 L690 Y694 L706 L715 A743 C744 R745 G749Q565-L747 PolarHBondContact NE2-O 3.01Å; L572-L747 HydrophobicContact CD2-CB 3.78Å; L572-L747 HydrophobicContact CD2-CD1 3.89Å; L690-L747 HydrophobicContact CD1-CD1 3.79Å; Y694-L747 HydrophobicContact CD2-CD2 3.83Å; Y694-L747 HydrophobicContact CE2-CD2 4.35Å; L706-L747 HydrophobicContact CD2-CD2 4.23Å; L715-L747 HydrophobicContact CD1-CG 4.41Å; L715-L747 HydrophobicContact CD2-CD1 4.49Å; L715-L747 HydrophobicContact CD2-CD2 3.61Å; L715-L747 HydrophobicContact CD2-CG 3.79Å; A743-L747 WeakPolarHBondContact O-CB 3.44Å; A743-L747 WeakPolarHBondContact O-CG 3.42Å; A743-L747 PolarHBondContact O-N 3.04Å; C744-L747 CarbonylContact O-C 3.53Å; C744-L747 PolarHBondContact O-N 3.47Å; R745-L747 VanDerWaalsContact C-N 3.29Å; R745-L747 PolarHBondContact O-N 3.15Å; L747-G749 PolarHBondContact O-N 3.32Å
748N94.9Very high96.4Very high3 Ų311.7 Ų11.72%0.0165%0.054CC..THydrogen-bonded Turntrans52.624.7-174.5-68.9-59.2000114.6K552 F562 Q565 C705 P707 C744 R745 R746K552-N748 WeakPolarHBondContact CE-O 3.41Å; K552-N748 VanDerWaalsContact NZ-C 3.29Å; K552-N748 PolarHBondContact NZ-O 2.87Å; F562-N748 HydrophobicContact CD2-CB 3.79Å; F562-N748 HydrophobicContact CE2-CB 4.5Å; Q565-N748 PolarHBondContact OE1-ND2 3.04Å; C705-N748 PolarHBondContact O-ND2 2.9Å; P707-N748 WeakPolarHBondContact CD-OD1 3.12Å; P707-N748 WeakPolarHBondContact CG-OD1 3.38Å; C744-N748 PolarHBondContact O-N 3.16Å; R745-N748 PolarHBondContact O-N 3.46Å; R746-N748 VanDerWaalsContact C-N 3.29Å; R746-N748 PolarHBondContact O-N 2.68Å
749G96.9Very high96.3Very high7 Ų79.1 Ų9.17%0.0724%0.044CC..  trans-75.7178.8-177.900000114.1K552 L572 C744 L747K552-G749 PolarHBondContact NZ-O 3.34Å; L572-G749 CarbonylContact O-C 3.48Å; L572-G749 WeakPolarHBondContact O-CA 3.35Å; C744-G749 WeakPolarHBondContact O-CA 3.37Å; C744-G749 PolarHBondContact O-N 3.3Å; C744-G749 VanDerWaalsContact SG-CA 3.6Å; L747-G749 PolarHBondContact O-N 3.32Å
750V98.3Very high96.1Very high10 Ų108.7 Ų8.76%0.0614%0.043CC..EExtended strand (participates in β ladder)trans-106.8135.2171.6-172.10000109.7K552 L571 L572 V573 Q574 C744 F752K552-V750 HydrophobicContact CB-CG2 3.79Å; K552-V750 HydrophobicContact CD-CG2 4.4Å; K552-V750 HydrophobicContact CG-CG2 3.9Å; L571-V750 HydrophobicContact CD1-CG2 3.96Å; L571-V750 HydrophobicContact CD2-CG2 3.99Å; L571-V750 HydrophobicContact CG-CG2 4.2Å; L572-V750 PolarHBondContact O-N 3.24Å; V573-V750 HydrophobicContact CG1-CB 4.03Å; V573-V750 HydrophobicContact CG1-CG2 4.21Å; Q574-V750 PolarHBondContact N-O 2.91Å; C744-V750 PolarHBondContact SG-O 3.21Å; V750-F752 HydrophobicContact CB-CE2 3.95Å; V750-F752 HydrophobicContact CG1-CD2 4.34Å; V750-F752 HydrophobicContact CG1-CE2 3.51Å; V750-F752 HydrophobicContact CG1-CZ 3.69Å
751R97.8Very high96.1Very high7 Ų79.4 Ų9.43%0.0265%0.045CC..EExtended strand (participates in β ladder)trans-102.1130.3-176.7-79.1-77.2-62.11530.8111.9V230 V231 Q574 E576 R745 E769V230-R751 HydrophobicContact CB-CB 4.49Å; V230-R751 HydrophobicContact CG1-CB 4.34Å; V230-R751 HydrophobicContact CG2-CB 4.05Å; V231-R751 PolarHBondContact N-O 3.38Å; Q574-R751 VanDerWaalsContact CD-NH1 3.25Å; E576-R751 IonicContact OE2-CZ 2.85Å; E576-R751 IonicContact OE2-NH1 2.74Å; E576-R751 PolarHBondContact OE2-NH1 3.14Å; E576-R751 IonicContact OE2-NH2 2.79Å; E576-R751 PolarHBondContact OE2-NH2 2.87Å; R745-R751 HydrophobicContact CG-CG 4.24Å; R751-E769 IonicContact CZ-OE1 2.78Å; R751-E769 IonicContact CZ-OE2 2.65Å; R751-E769 IonicContact NE-OE1 3.39Å; R751-E769 PolarHBondContact NE-OE1 3.29Å; R751-E769 IonicContact NE-OE2 3.56Å; R751-E769 IonicContact NH2-OE1 2.83Å; R751-E769 PolarHBondContact NH2-OE1 3.11Å; R751-E769 IonicContact NH2-OE2 3.26Å; R751-E769 PolarHBondContact NH2-OE2 2.78Å
752F98.6Very high96.1Very high0 Ų09.3 Ų9.30%05%0.045CC..EExtended strand (participates in β ladder)trans-123.4137.8171.6-60.4-92.1000110.6V231 A544 V573 Q574 Y575 E576 V750V231-F752 HydrophobicContact CB-CD1 3.53Å; V231-F752 HydrophobicContact CB-CE1 3.58Å; V231-F752 HydrophobicContact CB-CG 4.48Å; V231-F752 HydrophobicContact CG1-CD1 3.78Å; V231-F752 HydrophobicContact CG1-CE1 3.77Å; V231-F752 HydrophobicContact CG2-CD1 4.41Å; V231-F752 HydrophobicContact CG2-CE1 4Å; V231-F752 CarbonylContact O-C 3.51Å; V231-F752 VanDerWaalsContact O-CA 3.23Å; V231-F752 WeakPolarHBondContact O-CA 3.24Å; A544-F752 HydrophobicContact CB-CD1 4.12Å; A544-F752 HydrophobicContact CB-CE1 3.88Å; A544-F752 VanDerWaalsContact O-CE1 3.24Å; A544-F752 WeakPolarHBondContact O-CE1 3.34Å; V573-F752 HydrophobicContact CB-CE2 4.02Å; V573-F752 HydrophobicContact CG1-CE2 4.38Å; Q574-F752 WeakPolarHBondContact O-CD2 3.38Å; Q574-F752 PolarHBondContact O-N 3.43Å; Y575-F752 HydrophobicContact CD1-CB 3.51Å; Y575-F752 HydrophobicContact CD1-CD2 4.4Å; Y575-F752 AromaticContact CD1-CG 3.92Å; Y575-F752 HydrophobicContact CD1-CG 3.92Å; Y575-F752 HydrophobicContact CD2-CB 4.39Å; Y575-F752 AromaticContact CD2-CD2 3.99Å; Y575-F752 HydrophobicContact CD2-CD2 3.99Å; Y575-F752 HydrophobicContact CD2-CG 4.32Å; Y575-F752 HydrophobicContact CE1-CB 3.72Å; Y575-F752 AromaticContact CE1-CD1 3.87Å; Y575-F752 HydrophobicContact CE1-CD1 3.87Å; Y575-F752 HydrophobicContact CE1-CD2 4.15Å; Y575-F752 AromaticContact CE1-CG 3.63Å; Y575-F752 HydrophobicContact CE1-CG 3.63Å; Y575-F752 AromaticContact CE2-CD2 3.69Å; Y575-F752 HydrophobicContact CE2-CD2 3.69Å; Y575-F752 HydrophobicContact CE2-CE2 4.04Å; Y575-F752 HydrophobicContact CE2-CG 4.06Å; Y575-F752 HydrophobicContact CG-CB 3.88Å; Y575-F752 HydrophobicContact CG-CD2 4.33Å; Y575-F752 HydrophobicContact CG-CG 4.26Å; Y575-F752 AromaticContact CZ-CD1 3.95Å; Y575-F752 AromaticContact CZ-CD2 3.77Å; Y575-F752 AromaticContact CZ-CG 3.71Å; E576-F752 WeakPolarHBondContact CB-O 3.25Å; E576-F752 PolarHBondContact N-O 2.99Å; V750-F752 HydrophobicContact CB-CE2 3.95Å; V750-F752 HydrophobicContact CG1-CD2 4.34Å; V750-F752 HydrophobicContact CG1-CE2 3.51Å; V750-F752 HydrophobicContact CG1-CZ 3.69Å
753T98.5Very high96.1Very high0 Ų08.7 Ų8.70%04%0.042CC..EExtended strand (participates in β ladder)trans-124.2126175.1-52.40000110.7V230 V231 T232 I233 T762V230-T753 WeakPolarHBondContact CG1-OG1 3.37Å; V231-T753 PolarHBondContact O-N 3.02Å; T232-T753 WeakPolarHBondContact CA-O 3.43Å; I233-T753 PolarHBondContact N-O 3.4Å; T753-T762 HydrophobicContact CG2-CG2 3.89Å
754S98.1Very high96.1Very high0 Ų08.7 Ų8.70%04%0.042CC..EExtended strand (participates in β ladder)trans-132.2147.5-173.6-1790000113.4I233 A235 E576 S577 L578I233-S754 WeakPolarHBondContact O-CA 3.2Å; I233-S754 WeakPolarHBondContact O-CB 3.4Å; I233-S754 PolarHBondContact O-OG 3.04Å; A235-S754 PolarHBondContact N-OG 2.7Å; E576-S754 WeakPolarHBondContact O-CA 3.27Å; E576-S754 WeakPolarHBondContact O-CB 3.45Å; E576-S754 PolarHBondContact O-N 2.77Å; S577-S754 WeakPolarHBondContact CA-O 3.46Å; L578-S754 PolarHBondContact N-O 3.09Å
755C96.1Very high96.1Very high2 Ų28.9 Ų8.91%0.0144%0.043CC..EExtended strand (participates in β ladder)trans-149.6-175.8165.784.10000107.9G234 A235 L578 S757 A758 R761 T762G234-C755 CarbonylContact C-O 3.46Å; G234-C755 WeakPolarHBondContact CA-O 3.44Å; A235-C755 PolarHBondContact N-O 3.03Å; L578-C755 HydrophobicContact CB-CB 3.99Å; L578-C755 HydrophobicContact CD1-CB 4.38Å; C755-S757 PolarHBondContact O-N 3.2Å; C755-A758 PolarHBondContact SG-N 2.76Å; C755-A758 VanDerWaalsContact SG-N 3.38Å; C755-R761 HydrophobicContact CB-CB 3.93Å; C755-T762 PolarHBondContact SG-OG1 2.84Å
756K94.9Very high96.3Very high50 Ų507 Ų722%0.2174%0.036CC..SBendtrans-45.1-40.8-178.7-178.7171.3-175.3164.30114.7L579 E584 E585 M588L579-K756 HydrophobicContact CD2-CB 4.25Å; E584-K756 IonicContact OE2-NZ 3.18Å; E584-K756 PolarHBondContact OE2-NZ 2.83Å; E585-K756 HydrophobicContact CG-CD 4.33Å; E585-K756 WeakPolarHBondContact OE1-CB 3.39Å; M588-K756 HydrophobicContact CE-CD 4.38Å; M588-K756 HydrophobicContact CE-CG 4.3Å; M588-K756 HydrophobicContact SD-CD 4.45Å; M588-K756 HydrophobicContact SD-CG 3.96Å
757S92.9Very high96.4Very high18 Ų186.2 Ų6.213%0.1263%0.033CC..SBendtrans-131.53-17458.50000115.3N210 C755 K759N210-S757 VanDerWaalsContact CB-O 3.25Å; N210-S757 WeakPolarHBondContact CB-O 3.3Å; N210-S757 PolarHBondContact ND2-O 3.42Å; C755-S757 PolarHBondContact O-N 3.2Å; S757-K759 PolarHBondContact O-N 2.81Å
758A94.8Very high96.5Very high0 Ų06.2 Ų6.20%03%0.033CC..SBendtrans53.320.6-172.400000116.7N210 I233 C755 T762 R798N210-A758 HydrophobicContact CB-CB 4.04Å; N210-A758 VanDerWaalsContact ND2-C 3.31Å; N210-A758 PolarHBondContact ND2-O 2.93Å; N210-A758 VanDerWaalsContact ND2-O 3.17Å; I233-A758 WeakPolarHBondContact O-CB 3.44Å; C755-A758 PolarHBondContact SG-N 2.76Å; C755-A758 VanDerWaalsContact SG-N 3.38Å; A758-T762 WeakPolarHBondContact CA-OG1 3.4Å; A758-T762 HydrophobicContact CB-CG2 4.46Å; A758-R798 PolarHBondContact O-NH2 2.9Å
759K93.5Very high96.7Very high1 Ų16.4 Ų6.40%0.0043%0.034CC..SBendtrans-99.5-76.8-176.7-170.6-177.471.71760111.4S757 A763 R798 T802 N805 V806 T837S757-K759 PolarHBondContact O-N 2.81Å; K759-A763 VanDerWaalsContact O-CB 3.3Å; K759-A763 WeakPolarHBondContact O-CB 3.48Å; K759-A763 PolarHBondContact O-N 2.91Å; K759-R798 PolarHBondContact O-NH2 2.87Å; K759-T802 HydrophobicContact CD-CG2 4.1Å; K759-T802 HydrophobicContact CG-CG2 3.84Å; K759-N805 HydrophobicContact CD-CB 3.86Å; K759-V806 HydrophobicContact CD-CG2 4.47Å; K759-V806 VanDerWaalsContact NZ-CG1 3.35Å; K759-T837 VanDerWaalsContact NZ-CG2 3.35Å
760D94.1Very high96.7Very high13 Ų136.3 Ų6.37%0.073%0.031CC..Hα-helixtrans-84-63-166.1-44.1-81.1000113.1T762 A763 M764 Y811 A812 F813D760-T762 VanDerWaalsContact C-N 3.27Å; D760-T762 PolarHBondContact O-N 2.96Å; D760-A763 WeakPolarHBondContact O-CB 3.38Å; D760-A763 PolarHBondContact O-N 2.64Å; D760-M764 WeakPolarHBondContact O-CG 3.39Å; D760-M764 PolarHBondContact O-N 3.42Å; D760-M764 VanDerWaalsContact O-N 3.16Å; D760-Y811 HydrophobicContact CB-CD1 4.31Å; D760-Y811 VanDerWaalsContact OD1-CA 3.24Å; D760-Y811 WeakPolarHBondContact OD1-CA 3.12Å; D760-A812 PolarHBondContact OD1-N 2.72Å; D760-F813 HydrophobicContact CB-CD2 4.38Å; D760-F813 HydrophobicContact CB-CE1 3.87Å; D760-F813 HydrophobicContact CB-CE2 3.58Å; D760-F813 HydrophobicContact CB-CZ 3.29Å
761R96.2Very high96.6Very high16 Ų165.9 Ų5.96%0.063%0.029CC..Hα-helixtrans-59.5-40179.9-68.5-175.1-72.3-178.2-6111.9L578 E585 I663 N664 C755 A763 M764 S765 F813 F821L578-R761 HydrophobicContact CB-CB 4.47Å; L578-R761 HydrophobicContact CD1-CB 3.9Å; L578-R761 WeakPolarHBondContact CD1-O 3.47Å; L578-R761 PolarHBondContact O-NH1 3.16Å; E585-R761 IonicContact OE1-CZ 3.34Å; E585-R761 IonicContact OE1-NH1 2.72Å; E585-R761 IonicContact OE1-NH2 2.91Å; E585-R761 PolarHBondContact OE1-NH2 2.71Å; E585-R761 IonicContact OE2-CZ 3.7Å; E585-R761 VanDerWaalsContact OE2-CZ 3.3Å; E585-R761 IonicContact OE2-NH1 3.84Å; E585-R761 PolarHBondContact OE2-NH1 2.89Å; E585-R761 IonicContact OE2-NH2 3.3Å; E585-R761 PolarHBondContact OE2-NH2 3.11Å; I663-R761 HydrophobicContact CD1-CB 4.2Å; I663-R761 HydrophobicContact CD1-CG 4.16Å; I663-R761 HydrophobicContact CG1-CG 4.41Å; N664-R761 PolarHBondContact ND2-NH1 3.04Å; C755-R761 HydrophobicContact CB-CB 3.93Å; R761-A763 VanDerWaalsContact C-N 3.34Å; R761-A763 PolarHBondContact O-N 3.2Å; R761-M764 WeakPolarHBondContact O-CB 3.4Å; R761-M764 PolarHBondContact O-N 3.16Å; R761-M764 VanDerWaalsContact O-N 3.15Å; R761-S765 PolarHBondContact O-N 3.47Å; R761-F813 HydrophobicContact CG-CE1 4.06Å; R761-F813 HydrophobicContact CG-CZ 4.09Å; R761-F821 HydrophobicContact CG-CE1 4Å; R761-F821 HydrophobicContact CG-CZ 4.11Å
762T97.2Very high96.5Very high0 Ų06.3 Ų6.30%03%0.031CC..Hα-helixtrans-61.8-38.6174.9-610000112.4T232 T753 C755 A758 D760 M764 S765 L766T232-T762 HydrophobicContact CG2-CG2 3.48Å; T232-T762 VanDerWaalsContact CG2-CG2 3.48Å; T753-T762 HydrophobicContact CG2-CG2 3.89Å; C755-T762 PolarHBondContact SG-OG1 2.84Å; A758-T762 WeakPolarHBondContact CA-OG1 3.4Å; A758-T762 HydrophobicContact CB-CG2 4.46Å; D760-T762 VanDerWaalsContact C-N 3.27Å; D760-T762 PolarHBondContact O-N 2.96Å; T762-M764 VanDerWaalsContact C-N 3.31Å; T762-M764 PolarHBondContact O-N 2.92Å; T762-S765 PolarHBondContact O-N 3.2Å; T762-L766 VanDerWaalsContact O-CB 3.24Å; T762-L766 WeakPolarHBondContact O-CB 3.22Å; T762-L766 PolarHBondContact O-N 2.94Å
763A96.8Very high96.3Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-63.9-38.617400000111.8K759 D760 R761 T767 R798 Y811K759-A763 VanDerWaalsContact O-CB 3.3Å; K759-A763 WeakPolarHBondContact O-CB 3.48Å; K759-A763 PolarHBondContact O-N 2.91Å; D760-A763 WeakPolarHBondContact O-CB 3.38Å; D760-A763 PolarHBondContact O-N 2.64Å; R761-A763 VanDerWaalsContact C-N 3.34Å; R761-A763 PolarHBondContact O-N 3.2Å; A763-T767 WeakPolarHBondContact O-CB 3.3Å; A763-T767 WeakPolarHBondContact O-CG2 3.5Å; A763-T767 PolarHBondContact O-N 3.39Å; A763-T767 VanDerWaalsContact O-N 3.08Å; A763-T767 PolarHBondContact O-OG1 3.47Å; A763-R798 HydrophobicContact CB-CB 3.75Å; A763-R798 HydrophobicContact CB-CG 3.99Å; A763-Y811 HydrophobicContact CB-CE1 3.74Å
764M97.3Very high96.1Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-63.8-45.2177.7-58.2-59.7103.300111.3D760 R761 T762 T767 L768 R793 Y811 F813 Y825 P827D760-M764 WeakPolarHBondContact O-CG 3.39Å; D760-M764 PolarHBondContact O-N 3.42Å; D760-M764 VanDerWaalsContact O-N 3.16Å; R761-M764 WeakPolarHBondContact O-CB 3.4Å; R761-M764 PolarHBondContact O-N 3.16Å; R761-M764 VanDerWaalsContact O-N 3.15Å; T762-M764 VanDerWaalsContact C-N 3.31Å; T762-M764 PolarHBondContact O-N 2.92Å; M764-T767 PolarHBondContact O-OG1 2.84Å; M764-L768 VanDerWaalsContact O-CB 3.3Å; M764-L768 WeakPolarHBondContact O-CB 3.37Å; M764-L768 PolarHBondContact O-N 3.06Å; M764-R793 HydrophobicContact CE-CG 4Å; M764-R793 PolarHBondContact O-NH2 3.3Å; M764-Y811 HydrophobicContact CE-CD1 4.25Å; M764-Y811 HydrophobicContact CE-CD2 4.07Å; M764-Y811 HydrophobicContact CE-CE1 3.91Å; M764-Y811 HydrophobicContact CE-CE2 3.71Å; M764-Y811 HydrophobicContact CE-CG 4.33Å; M764-F813 HydrophobicContact CG-CE2 4.3Å; M764-F813 HydrophobicContact CG-CZ 4.48Å; M764-Y825 HydrophobicContact CB-CD1 4.03Å; M764-Y825 VanDerWaalsContact CG-O 3.24Å; M764-Y825 WeakPolarHBondContact CG-O 3.37Å; M764-P827 HydrophobicContact CE-CB 4.07Å; M764-P827 HydrophobicContact SD-CB 3.8Å; M764-P827 HydrophobicContact SD-CG 4.42Å
765S97.8Very high95.8Very high3 Ų39.4 Ų9.42%0.0215%0.046CC..Hα-helixtrans-68.6-46.5178.9-149.80000112.6E576 R761 T762 T767 L768 E769 Y825E576-S765 VanDerWaalsContact OE1-CB 3.3Å; E576-S765 WeakPolarHBondContact OE1-CB 3.37Å; E576-S765 PolarHBondContact OE1-OG 3.03Å; R761-S765 PolarHBondContact O-N 3.47Å; T762-S765 PolarHBondContact O-N 3.2Å; S765-T767 PolarHBondContact O-N 3.27Å; S765-L768 WeakPolarHBondContact O-CB 3.38Å; S765-L768 PolarHBondContact O-N 2.88Å; S765-E769 PolarHBondContact O-N 3.48Å; S765-Y825 WeakPolarHBondContact OG-CE1 3.43Å; S765-Y825 PolarHBondContact OG-OH 3.16Å
766L97.4Very high95.6Very high0 Ų013 Ų130%06%0.062CC..Hα-helixtrans-59.1-49.9-179.2179.177.7000112.3Q214 V230 T762 L768 E769 Q770 R798Q214-L766 HydrophobicContact CB-CD1 3.84Å; Q214-L766 HydrophobicContact CB-CD2 3.8Å; Q214-L766 HydrophobicContact CB-CG 4.43Å; Q214-L766 HydrophobicContact CG-CD1 4.04Å; Q214-L766 HydrophobicContact CG-CD2 3.48Å; Q214-L766 VanDerWaalsContact CG-CD2 3.48Å; Q214-L766 HydrophobicContact CG-CG 4.4Å; V230-L766 HydrophobicContact CB-CD1 3.67Å; V230-L766 HydrophobicContact CG1-CD1 3.82Å; V230-L766 HydrophobicContact CG2-CD1 4.01Å; T762-L766 VanDerWaalsContact O-CB 3.24Å; T762-L766 WeakPolarHBondContact O-CB 3.22Å; T762-L766 PolarHBondContact O-N 2.94Å; L766-L768 VanDerWaalsContact C-N 3.26Å; L766-L768 PolarHBondContact O-N 2.97Å; L766-E769 PolarHBondContact O-N 2.89Å; L766-Q770 WeakPolarHBondContact O-CB 3.32Å; L766-Q770 VanDerWaalsContact O-CG 3.3Å; L766-Q770 WeakPolarHBondContact O-CG 3.28Å; L766-Q770 PolarHBondContact O-N 3.42Å; L766-R798 HydrophobicContact CD2-CG 4.01Å
767T97.5Very high95.4Very high0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-66-32.3-179.350.30000111.7A763 M764 S765 C771 L789 M792 R793A763-T767 WeakPolarHBondContact O-CB 3.3Å; A763-T767 WeakPolarHBondContact O-CG2 3.5Å; A763-T767 PolarHBondContact O-N 3.39Å; A763-T767 VanDerWaalsContact O-N 3.08Å; A763-T767 PolarHBondContact O-OG1 3.47Å; M764-T767 PolarHBondContact O-OG1 2.84Å; S765-T767 PolarHBondContact O-N 3.27Å; T767-C771 WeakPolarHBondContact O-CB 3.42Å; T767-C771 PolarHBondContact O-N 3.43Å; T767-C771 PolarHBondContact O-SG 3.14Å; T767-L789 WeakPolarHBondContact O-CD1 3.18Å; T767-M792 HydrophobicContact CG2-CB 4.15Å; T767-R793 HydrophobicContact CG2-CG 4.08Å; T767-R793 WeakPolarHBondContact OG1-CG 3.24Å; T767-R793 PolarHBondContact OG1-NE 2.96Å
768L97.8Very high95.2Very high0 Ų011.1 Ų11.10%05%0.052CC..Hα-helixtrans-67.4-47.6174.6-178.263000111.3W738 M764 S765 L766 Q770 C771 Q772 F785 L789 Q824 Y825W738-L768 HydrophobicContact CZ2-CD2 3.99Å; M764-L768 VanDerWaalsContact O-CB 3.3Å; M764-L768 WeakPolarHBondContact O-CB 3.37Å; M764-L768 PolarHBondContact O-N 3.06Å; S765-L768 WeakPolarHBondContact O-CB 3.38Å; S765-L768 PolarHBondContact O-N 2.88Å; L766-L768 VanDerWaalsContact C-N 3.26Å; L766-L768 PolarHBondContact O-N 2.97Å; L768-Q770 VanDerWaalsContact C-N 3.34Å; L768-Q770 PolarHBondContact O-N 2.86Å; L768-C771 PolarHBondContact O-N 3.49Å; L768-Q772 WeakPolarHBondContact O-CB 3.48Å; L768-Q772 VanDerWaalsContact O-CG 3.3Å; L768-Q772 WeakPolarHBondContact O-CG 3.2Å; L768-Q772 PolarHBondContact O-N 3.21Å; L768-F785 HydrophobicContact CD1-CE1 4.07Å; L768-F785 HydrophobicContact CD1-CZ 3.8Å; L768-L789 HydrophobicContact CB-CD1 4.35Å; L768-L789 HydrophobicContact CD1-CD2 4.05Å; L768-Q824 HydrophobicContact CD1-CB 4.08Å; L768-Q824 HydrophobicContact CD2-CB 4.02Å; L768-Y825 HydrophobicContact CD2-CD2 4.03Å; L768-Y825 HydrophobicContact CD2-CE1 4.43Å; L768-Y825 HydrophobicContact CD2-CE2 3.52Å
769E97.4Very high95Very high7 Ų712.7 Ų12.73%0.0337%0.065CC..Hα-helixtrans-59-45175.8-179.2-178.5-174.900111.2R745 R751 S765 L766 C771 Q772 I773R745-E769 IonicContact CZ-OE1 3.75Å; R745-E769 VanDerWaalsContact NH1-CD 3.33Å; R745-E769 VanDerWaalsContact NH1-CG 3.34Å; R745-E769 IonicContact NH1-OE1 3.78Å; R745-E769 PolarHBondContact NH1-OE1 2.83Å; R751-E769 IonicContact CZ-OE1 2.78Å; R751-E769 IonicContact CZ-OE2 2.65Å; R751-E769 IonicContact NE-OE1 3.39Å; R751-E769 PolarHBondContact NE-OE1 3.29Å; R751-E769 IonicContact NE-OE2 3.56Å; R751-E769 IonicContact NH2-OE1 2.83Å; R751-E769 PolarHBondContact NH2-OE1 3.11Å; R751-E769 IonicContact NH2-OE2 3.26Å; R751-E769 PolarHBondContact NH2-OE2 2.78Å; S765-E769 PolarHBondContact O-N 3.48Å; L766-E769 PolarHBondContact O-N 2.89Å; E769-C771 PolarHBondContact O-N 3.17Å; E769-Q772 WeakPolarHBondContact O-CB 3.49Å; E769-Q772 PolarHBondContact O-N 3.32Å; E769-I773 HydrophobicContact CG-CD1 4.1Å; E769-I773 VanDerWaalsContact O-CG1 3.32Å; E769-I773 WeakPolarHBondContact O-CG1 3.38Å; E769-I773 PolarHBondContact O-N 3.3Å
770Q97.1Very high94.9Very high6 Ų612.7 Ų12.73%0.0287%0.065CC..Hα-helixtrans-59.4-47.3176.2-75.7171.7-2300111.8M216 L766 L768 Q772 I773 L774 M792M216-Q770 HydrophobicContact CB-CG 4.36Å; M216-Q770 HydrophobicContact CE-CB 4.27Å; M216-Q770 HydrophobicContact CE-CG 4.37Å; M216-Q770 HydrophobicContact SD-CB 3.7Å; M216-Q770 HydrophobicContact SD-CG 3.88Å; L766-Q770 WeakPolarHBondContact O-CB 3.32Å; L766-Q770 VanDerWaalsContact O-CG 3.3Å; L766-Q770 WeakPolarHBondContact O-CG 3.28Å; L766-Q770 PolarHBondContact O-N 3.42Å; L768-Q770 VanDerWaalsContact C-N 3.34Å; L768-Q770 PolarHBondContact O-N 2.86Å; Q770-Q772 VanDerWaalsContact C-N 3.34Å; Q770-Q772 PolarHBondContact O-N 2.93Å; Q770-I773 PolarHBondContact O-N 3.05Å; Q770-L774 VanDerWaalsContact O-CG 3.31Å; Q770-L774 WeakPolarHBondContact O-CG 3.28Å; Q770-L774 PolarHBondContact O-N 2.85Å; Q770-M792 HydrophobicContact CB-CE 4.11Å
771C97Very high94.7Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-65.4-36177.3-68.60000112.7T767 L768 E769 L774 Q775 M780 F785 L789T767-C771 WeakPolarHBondContact O-CB 3.42Å; T767-C771 PolarHBondContact O-N 3.43Å; T767-C771 PolarHBondContact O-SG 3.14Å; L768-C771 PolarHBondContact O-N 3.49Å; E769-C771 PolarHBondContact O-N 3.17Å; C771-L774 PolarHBondContact O-N 3.29Å; C771-Q775 PolarHBondContact O-N 3.26Å; C771-M780 WeakPolarHBondContact O-CE 3.47Å; C771-F785 HydrophobicContact CB-CD2 4.27Å; C771-F785 HydrophobicContact CB-CE2 3.77Å; C771-F785 HydrophobicContact CB-CZ 4.03Å; C771-L789 HydrophobicContact CB-CD1 4.44Å
772Q95.5Very high94.5Very high17 Ų1714.9 Ų14.98%0.0798%0.082CC..Hα-helixtrans-62.2-45173.7-75.2172.5-19.100111.2L768 E769 Q770 Q775 Q776 F785L768-Q772 WeakPolarHBondContact O-CB 3.48Å; L768-Q772 VanDerWaalsContact O-CG 3.3Å; L768-Q772 WeakPolarHBondContact O-CG 3.2Å; L768-Q772 PolarHBondContact O-N 3.21Å; E769-Q772 WeakPolarHBondContact O-CB 3.49Å; E769-Q772 PolarHBondContact O-N 3.32Å; Q770-Q772 VanDerWaalsContact C-N 3.34Å; Q770-Q772 PolarHBondContact O-N 2.93Å; Q772-Q775 PolarHBondContact O-N 2.98Å; Q772-Q776 VanDerWaalsContact O-CB 3.32Å; Q772-Q776 WeakPolarHBondContact O-CB 3.44Å; Q772-Q776 VanDerWaalsContact O-CG 3.25Å; Q772-Q776 WeakPolarHBondContact O-CG 3.37Å; Q772-Q776 PolarHBondContact O-N 2.87Å; Q772-F785 HydrophobicContact CG-CE2 4.18Å; Q772-F785 HydrophobicContact CG-CZ 4.12Å
773I95.1Very high94.3Very high4 Ų421.8 Ų21.82%0.02112%0.115CC..Hα-helixtrans-61.1-45.9175.2-67.8163.4000110.7M216 Y228 E769 Q770 Q775 Q776 E777M216-I773 HydrophobicContact CE-CB 4.04Å; M216-I773 HydrophobicContact CE-CG2 3.79Å; Y228-I773 HydrophobicContact CD1-CD1 4.08Å; Y228-I773 HydrophobicContact CD1-CG2 3.96Å; Y228-I773 HydrophobicContact CD2-CG2 4.16Å; Y228-I773 HydrophobicContact CE1-CG2 3.62Å; Y228-I773 HydrophobicContact CE2-CG2 3.87Å; Y228-I773 HydrophobicContact CG-CD1 4.42Å; Y228-I773 HydrophobicContact CG-CG2 4.21Å; E769-I773 HydrophobicContact CG-CD1 4.1Å; E769-I773 VanDerWaalsContact O-CG1 3.32Å; E769-I773 WeakPolarHBondContact O-CG1 3.38Å; E769-I773 PolarHBondContact O-N 3.3Å; Q770-I773 PolarHBondContact O-N 3.05Å; I773-Q775 VanDerWaalsContact C-N 3.27Å; I773-Q775 PolarHBondContact O-N 2.75Å; I773-Q776 PolarHBondContact O-N 3.42Å; I773-E777 HydrophobicContact CG2-CB 4.38Å; I773-E777 HydrophobicContact CG2-CG 4.45Å; I773-E777 WeakPolarHBondContact O-CB 3.15Å; I773-E777 PolarHBondContact O-N 3.42Å
774L93.8Very high94.1Very high0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-57.9-40.4177.8-68.9174.1000112.2F108 L116 V118 M216 V218 Q770 C771 H778 A779 M780F108-L774 HydrophobicContact CD2-CD1 4.01Å; F108-L774 HydrophobicContact CE2-CD1 3.99Å; L116-L774 HydrophobicContact CD1-CD2 4.4Å; V118-L774 HydrophobicContact CG1-CD1 4.46Å; V118-L774 HydrophobicContact CG1-CD2 4.34Å; V118-L774 HydrophobicContact CG2-CD1 4.09Å; V118-L774 HydrophobicContact CG2-CD2 3.55Å; V118-L774 HydrophobicContact CG2-CG 4.5Å; M216-L774 HydrophobicContact CE-CD2 4.14Å; M216-L774 HydrophobicContact CE-CG 4.14Å; M216-L774 HydrophobicContact SD-CD1 4.13Å; M216-L774 HydrophobicContact SD-CD2 3.99Å; M216-L774 HydrophobicContact SD-CG 3.93Å; V218-L774 HydrophobicContact CG1-CD2 4.26Å; V218-L774 HydrophobicContact CG2-CD2 3.58Å; Q770-L774 VanDerWaalsContact O-CG 3.31Å; Q770-L774 WeakPolarHBondContact O-CG 3.28Å; Q770-L774 PolarHBondContact O-N 2.85Å; C771-L774 PolarHBondContact O-N 3.29Å; L774-H778 CarbonylContact O-C 3.28Å; L774-H778 VanDerWaalsContact O-C 3.32Å; L774-H778 WeakPolarHBondContact O-CA 3.41Å; L774-H778 WeakPolarHBondContact O-CB 3.41Å; L774-H778 PolarHBondContact O-N 3.21Å; L774-A779 PolarHBondContact O-N 3.16Å; L774-M780 HydrophobicContact CB-CB 4.05Å; L774-M780 HydrophobicContact CB-CE 4.11Å; L774-M780 HydrophobicContact CB-SD 3.91Å; L774-M780 HydrophobicContact CD1-SD 4.31Å; L774-M780 VanDerWaalsContact O-CB 3.25Å; L774-M780 WeakPolarHBondContact O-CB 3.46Å; L774-M780 PolarHBondContact O-N 2.9Å
775Q92.6Very high94Very high61 Ų6122.9 Ų22.929%0.28512%0.12SC..Hα-helixtrans-70.8-50.4176.6-176.6177.768.900112.3C771 Q772 I773 A779 M780 F785C771-Q775 PolarHBondContact O-N 3.26Å; Q772-Q775 PolarHBondContact O-N 2.98Å; I773-Q775 VanDerWaalsContact C-N 3.27Å; I773-Q775 PolarHBondContact O-N 2.75Å; Q775-A779 PolarHBondContact O-N 2.97Å; Q775-M780 HydrophobicContact CB-CE 4.03Å; Q775-F785 HydrophobicContact CB-CD2 4.28Å
776Q91Very high93.8Very high78 Ų7829 Ų2936%0.36414%0.144SC..Hα-helixtrans-77.3-39.3-169.7-67.8171.2-3.700113Q772 I773Q772-Q776 VanDerWaalsContact O-CB 3.32Å; Q772-Q776 WeakPolarHBondContact O-CB 3.44Å; Q772-Q776 VanDerWaalsContact O-CG 3.25Å; Q772-Q776 WeakPolarHBondContact O-CG 3.37Å; Q772-Q776 PolarHBondContact O-N 2.87Å; I773-Q776 PolarHBondContact O-N 3.42Å
777E90.7Very high93.6Very high16 Ų1635.5 Ų35.58%0.07517%0.174CC..Hα-helixtrans-104.8-20.9-172.8-61.9-61.8162.100113.2T709 R710 I773T709-E777 WeakPolarHBondContact CA-OE2 3.44Å; T709-E777 PolarHBondContact OG1-OE1 2.86Å; T709-E777 PolarHBondContact OG1-OE2 3.44Å; R710-E777 VanDerWaalsContact CD-O 3.26Å; R710-E777 WeakPolarHBondContact CD-O 3.49Å; R710-E777 PolarHBondContact N-OE2 3.37Å; I773-E777 HydrophobicContact CG2-CB 4.38Å; I773-E777 HydrophobicContact CG2-CG 4.45Å; I773-E777 WeakPolarHBondContact O-CB 3.15Å; I773-E777 PolarHBondContact O-N 3.42Å
778H89.6Confident93.4Very high11 Ų1135.5 Ų35.55%0.05117%0.174CC..Hα-helixtrans-121.48.5-175.9-55.4-63.7000114.3L116 V218 W226 Y228 L774 M780L116-H778 HydrophobicContact CD1-CB 3.74Å; L116-H778 HydrophobicContact CD2-CB 4.15Å; L116-H778 WeakPolarHBondContact CD2-O 3.3Å; V218-H778 HydrophobicContact CG1-CB 4.22Å; W226-H778 AromaticContact CD1-CE1 3.78Å; W226-H778 AromaticContact CD2-CE1 3.94Å; W226-H778 AromaticContact CG-CE1 3.54Å; Y228-H778 AromaticContact CE2-CE1 3.93Å; Y228-H778 AromaticContact CE2-NE2 3.16Å; Y228-H778 WeakPolarHBondContact CE2-NE2 3.09Å; Y228-H778 AromaticContact CZ-NE2 3.39Å; Y228-H778 PolarHBondContact OH-CE1 2.97Å; Y228-H778 VanDerWaalsContact OH-CE1 3.28Å; Y228-H778 PolarHBondContact OH-NE2 3.38Å; L774-H778 CarbonylContact O-C 3.28Å; L774-H778 VanDerWaalsContact O-C 3.32Å; L774-H778 WeakPolarHBondContact O-CA 3.41Å; L774-H778 WeakPolarHBondContact O-CB 3.41Å; L774-H778 PolarHBondContact O-N 3.21Å; H778-M780 PolarHBondContact O-N 3.21Å
779A88.9Confident93.3Very high34 Ų3435.6 Ų35.628%0.28118%0.175SC..  trans56.233.4176.100000113.8T110 T111 L774 Q775 A781T110-A779 VanDerWaalsContact CA-O 3.29Å; T110-A779 WeakPolarHBondContact CA-O 3.15Å; T111-A779 PolarHBondContact N-O 3.15Å; L774-A779 PolarHBondContact O-N 3.16Å; Q775-A779 PolarHBondContact O-N 2.97Å; A779-A781 PolarHBondContact O-N 3.26Å
780M91.8Very high93.2Very high1 Ų138.4 Ų38.41%0.00519%0.19CC..BIsolated β-bridgetrans-55.9132.9166.6-178.7-176.466.800109F108 L116 C771 L774 Q775 H778 V784 F785 A788F108-M780 HydrophobicContact CB-CG 4.2Å; F108-M780 HydrophobicContact CB-SD 4.25Å; F108-M780 HydrophobicContact CD2-SD 4.36Å; F108-M780 HydrophobicContact CG-SD 4.31Å; L116-M780 HydrophobicContact CD1-CB 3.83Å; C771-M780 WeakPolarHBondContact O-CE 3.47Å; L774-M780 HydrophobicContact CB-CB 4.05Å; L774-M780 HydrophobicContact CB-CE 4.11Å; L774-M780 HydrophobicContact CB-SD 3.91Å; L774-M780 HydrophobicContact CD1-SD 4.31Å; L774-M780 VanDerWaalsContact O-CB 3.25Å; L774-M780 WeakPolarHBondContact O-CB 3.46Å; L774-M780 PolarHBondContact O-N 2.9Å; Q775-M780 HydrophobicContact CB-CE 4.03Å; H778-M780 PolarHBondContact O-N 3.21Å; M780-V784 HydrophobicContact CG-CG2 3.76Å; M780-V784 HydrophobicContact SD-CG2 4.29Å; M780-F785 HydrophobicContact CE-CB 4.32Å; M780-F785 HydrophobicContact CE-CD2 3.78Å; M780-F785 HydrophobicContact CE-CG 4.43Å; M780-A788 HydrophobicContact CE-CB 4.48Å; M780-A788 HydrophobicContact SD-CB 3.82Å
781A90.5Very high93Very high0 Ų040.4 Ų40.40%020%0.204CC..  trans-61.7130.6-173.200000111.4P109 A779 Q783 V784P109-A781 WeakPolarHBondContact O-CB 3.45Å; P109-A781 PolarHBondContact O-N 3.06Å; A779-A781 PolarHBondContact O-N 3.26Å; A781-Q783 HydrophobicContact CB-CG 4.42Å; A781-Q783 PolarHBondContact O-N 3.23Å; A781-Q783 VanDerWaalsContact O-N 3.14Å; A781-V784 HydrophobicContact CB-CG2 4.19Å; A781-V784 WeakPolarHBondContact O-CG2 3.24Å; A781-V784 PolarHBondContact O-N 2.95Å
782P92.1Very high92.9Very high75 Ų7540.4 Ų40.449%0.48720%0.204SC..G310 helixtrans-57.8-33.1-174.9-27.635000114.5V784 F785P782-V784 PolarHBondContact O-N 2.78Å; P782-F785 WeakPolarHBondContact O-CB 3.5Å; P782-F785 PolarHBondContact O-N 3.44Å
783Q92.3Very high92.9Very high145 Ų14539.7 Ų39.768%0.67820%0.201SC*.G310 helixtrans-64.5-23.9178.863.7-87.222.800114A781A781-Q783 HydrophobicContact CB-CG 4.42Å; A781-Q783 PolarHBondContact O-N 3.23Å; A781-Q783 VanDerWaalsContact O-N 3.14Å
784V92.5Very high92.7Very high12 Ų1240.9 Ų40.97%0.07321%0.209CC..G310 helixtrans-96.1-0.4179.7-59.20000113.7P109 M780 A781 P782 Y786 Q787 A788P109-V784 HydrophobicContact CG-CB 4.15Å; P109-V784 HydrophobicContact CG-CG1 3.42Å; P109-V784 VanDerWaalsContact CG-CG1 3.42Å; P109-V784 HydrophobicContact CG-CG2 3.84Å; M780-V784 HydrophobicContact CG-CG2 3.76Å; M780-V784 HydrophobicContact SD-CG2 4.29Å; A781-V784 HydrophobicContact CB-CG2 4.19Å; A781-V784 WeakPolarHBondContact O-CG2 3.24Å; A781-V784 PolarHBondContact O-N 2.95Å; P782-V784 PolarHBondContact O-N 2.78Å; V784-Y786 PolarHBondContact O-N 2.89Å; V784-Q787 WeakPolarHBondContact O-CB 3.47Å; V784-Q787 PolarHBondContact O-N 2.94Å; V784-Q787 VanDerWaalsContact O-N 3.08Å; V784-A788 WeakPolarHBondContact O-CB 3.47Å; V784-A788 PolarHBondContact O-N 2.79Å
785F94.9Very high92.5Very high11 Ų1145.9 Ų45.95%0.04823%0.233CC..Hα-helixtrans-52.2-51.1-175.2-178.7-87.4000113L768 C771 Q772 Q775 M780 P782 A788 L789L768-F785 HydrophobicContact CD1-CE1 4.07Å; L768-F785 HydrophobicContact CD1-CZ 3.8Å; C771-F785 HydrophobicContact CB-CD2 4.27Å; C771-F785 HydrophobicContact CB-CE2 3.77Å; C771-F785 HydrophobicContact CB-CZ 4.03Å; Q772-F785 HydrophobicContact CG-CE2 4.18Å; Q772-F785 HydrophobicContact CG-CZ 4.12Å; Q775-F785 HydrophobicContact CB-CD2 4.28Å; M780-F785 HydrophobicContact CE-CB 4.32Å; M780-F785 HydrophobicContact CE-CD2 3.78Å; M780-F785 HydrophobicContact CE-CG 4.43Å; P782-F785 WeakPolarHBondContact O-CB 3.5Å; P782-F785 PolarHBondContact O-N 3.44Å; F785-A788 PolarHBondContact O-N 2.76Å; F785-L789 HydrophobicContact CE1-CD2 4.33Å; F785-L789 WeakPolarHBondContact O-CB 3.41Å; F785-L789 PolarHBondContact O-N 2.99Å
786Y94.6Very high92.3Very high132 Ų13243 Ų4352%0.51822%0.219SC..Hα-helixtrans-70.5-33.6-179.9-71.4-74000112.5V784 L789 D790 Q824V784-Y786 PolarHBondContact O-N 2.89Å; Y786-L789 PolarHBondContact O-N 2.93Å; Y786-D790 WeakPolarHBondContact O-CB 3.28Å; Y786-D790 PolarHBondContact O-N 2.73Å; Y786-Q824 HydrophobicContact CE1-CG 4.2Å
787Q93.3Very high92.3Very high135 Ų13539.3 Ų39.363%0.63120%0.202SC*.Hα-helixtrans-65.3-42.5175.3-64.7177.2-11.200111.4V784 C791V784-Q787 WeakPolarHBondContact O-CB 3.47Å; V784-Q787 PolarHBondContact O-N 2.94Å; V784-Q787 VanDerWaalsContact O-N 3.08Å; Q787-C791 WeakPolarHBondContact O-CB 3.4Å; Q787-C791 PolarHBondContact O-N 2.89Å
788A93.7Very high92.5Very high0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-63.1-45.8174.700000111.2F108 M780 V784 F785 D790 C791 M792F108-A788 HydrophobicContact CD1-CB 3.79Å; F108-A788 HydrophobicContact CD2-CB 4.4Å; F108-A788 HydrophobicContact CE1-CB 3.51Å; F108-A788 HydrophobicContact CE2-CB 4.14Å; F108-A788 HydrophobicContact CG-CB 4.24Å; F108-A788 HydrophobicContact CZ-CB 3.69Å; M780-A788 HydrophobicContact CE-CB 4.48Å; M780-A788 HydrophobicContact SD-CB 3.82Å; V784-A788 WeakPolarHBondContact O-CB 3.47Å; V784-A788 PolarHBondContact O-N 2.79Å; F785-A788 PolarHBondContact O-N 2.76Å; A788-D790 PolarHBondContact O-N 2.76Å; A788-C791 WeakPolarHBondContact O-CB 3.4Å; A788-C791 PolarHBondContact O-N 3.28Å; A788-M792 WeakPolarHBondContact O-CG 2.98Å; A788-M792 PolarHBondContact O-N 3.4Å
789L95.6Very high92.6Very high2 Ų239.5 Ų39.51%0.0120%0.202CC..Hα-helixtrans-59.4-47178-172.861000112.1T767 L768 C771 F785 Y786 R793T767-L789 WeakPolarHBondContact O-CD1 3.18Å; L768-L789 HydrophobicContact CB-CD1 4.35Å; L768-L789 HydrophobicContact CD1-CD2 4.05Å; C771-L789 HydrophobicContact CB-CD1 4.44Å; F785-L789 HydrophobicContact CE1-CD2 4.33Å; F785-L789 WeakPolarHBondContact O-CB 3.41Å; F785-L789 PolarHBondContact O-N 2.99Å; Y786-L789 PolarHBondContact O-N 2.93Å; L789-R793 WeakPolarHBondContact O-CB 3.5Å; L789-R793 VanDerWaalsContact O-CG 3.28Å; L789-R793 WeakPolarHBondContact O-CG 3.14Å; L789-R793 PolarHBondContact O-N 3.04Å
790D94.3Very high92.7Very high67 Ų6739.6 Ų39.636%0.35820%0.196SC..Hα-helixtrans-67-38.5178.2-73.6-16.7000111.8Y786 A788 R793 S794 P828Y786-D790 WeakPolarHBondContact O-CB 3.28Å; Y786-D790 PolarHBondContact O-N 2.73Å; A788-D790 PolarHBondContact O-N 2.76Å; D790-R793 PolarHBondContact O-N 3.14Å; D790-S794 VanDerWaalsContact O-CB 3.25Å; D790-S794 WeakPolarHBondContact O-CB 3.04Å; D790-S794 PolarHBondContact O-N 3.41Å; D790-S794 PolarHBondContact O-OG 3.27Å; D790-P828 HydrophobicContact CB-CB 4.17Å; D790-P828 HydrophobicContact CB-CG 4.34Å
791C94.1Very high92.7Very high48 Ų4839.6 Ų39.632%0.32420%0.196SC..Hα-helixtrans-61.1-51.9175.7-178.50000111.4Q787 A788 R793 S794 E795Q787-C791 WeakPolarHBondContact O-CB 3.4Å; Q787-C791 PolarHBondContact O-N 2.89Å; A788-C791 WeakPolarHBondContact O-CB 3.4Å; A788-C791 PolarHBondContact O-N 3.28Å; C791-R793 VanDerWaalsContact C-N 3.28Å; C791-R793 PolarHBondContact O-N 2.65Å; C791-S794 PolarHBondContact O-N 3.31Å; C791-S794 VanDerWaalsContact O-N 3.16Å; C791-E795 PolarHBondContact O-N 3.42Å
792M94.4Very high92.8Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-63.4-34.1179.1-66.8-177.675.400112.1Y106 F108 T767 Q770 A788 G796Y106-M792 HydrophobicContact CD2-CG 4.5Å; Y106-M792 HydrophobicContact CE1-CG 4.18Å; Y106-M792 HydrophobicContact CE2-CE 4.29Å; Y106-M792 HydrophobicContact CE2-CG 4.1Å; F108-M792 HydrophobicContact CE2-SD 4.42Å; F108-M792 HydrophobicContact CZ-CG 4.22Å; T767-M792 HydrophobicContact CG2-CB 4.15Å; Q770-M792 HydrophobicContact CB-CE 4.11Å; A788-M792 WeakPolarHBondContact O-CG 2.98Å; A788-M792 PolarHBondContact O-N 3.4Å; M792-G796 WeakPolarHBondContact O-CA 3.43Å; M792-G796 PolarHBondContact O-N 2.77Å; M792-G796 VanDerWaalsContact O-N 3.1Å
793R95.4Very high92.8Very high2 Ų239.4 Ų39.41%0.00819%0.19CC..Hα-helixtrans-75-29.2175.2-72.6175.3177.7171.31.6113.4M764 T767 L789 D790 C791 R799 Y811 Q824 R826 P828M764-R793 HydrophobicContact CE-CG 4Å; M764-R793 PolarHBondContact O-NH2 3.3Å; T767-R793 HydrophobicContact CG2-CG 4.08Å; T767-R793 WeakPolarHBondContact OG1-CG 3.24Å; T767-R793 PolarHBondContact OG1-NE 2.96Å; L789-R793 WeakPolarHBondContact O-CB 3.5Å; L789-R793 VanDerWaalsContact O-CG 3.28Å; L789-R793 WeakPolarHBondContact O-CG 3.14Å; L789-R793 PolarHBondContact O-N 3.04Å; D790-R793 PolarHBondContact O-N 3.14Å; C791-R793 VanDerWaalsContact C-N 3.28Å; C791-R793 PolarHBondContact O-N 2.65Å; R793-R799 WeakPolarHBondContact O-CD 3.39Å; R793-R799 WeakPolarHBondContact O-CG 3.19Å; R793-Y811 WeakPolarHBondContact O-CE2 3.43Å; R793-Y811 PolarHBondContact O-OH 2.61Å; R793-Y811 VanDerWaalsContact O-OH 3.04Å; R793-Q824 VanDerWaalsContact CZ-O 3.31Å; R793-Q824 PolarHBondContact NH1-O 3.01Å; R793-Q824 PolarHBondContact NH2-O 3.16Å; R793-R826 PolarHBondContact NH1-O 3.3Å; R793-P828 HydrophobicContact CB-CG 4.06Å
794S91.3Very high92.7Very high29 Ų2935.9 Ų35.920%0.20317%0.172CC..Hα-helixtrans-88.2-39.6-175.9-56.80000113.2D790 C791 R799 P828D790-S794 VanDerWaalsContact O-CB 3.25Å; D790-S794 WeakPolarHBondContact O-CB 3.04Å; D790-S794 PolarHBondContact O-N 3.41Å; D790-S794 PolarHBondContact O-OG 3.27Å; C791-S794 PolarHBondContact O-N 3.31Å; C791-S794 VanDerWaalsContact O-N 3.16Å; S794-R799 WeakPolarHBondContact O-CG 3.32Å; S794-R799 PolarHBondContact O-NE 2.93Å; S794-P828 WeakPolarHBondContact OG-CG 3.34Å
795E88.2Confident92.6Very high104 Ų10435.6 Ų35.649%0.48617%0.17SC..Hα-helixtrans-120.2-3-169.9-57.9-61.2159.900113R104 C791R104-E795 PolarHBondContact NE-O 2.81Å; C791-E795 PolarHBondContact O-N 3.42Å
796G90.3Very high92.3Very high0 Ų036.4 Ų36.40%018%0.176CC..SBendtrans-82176.5-173.900000116.8Y106 E120 M792 R798 R799Y106-G796 WeakPolarHBondContact OH-CA 3.44Å; E120-G796 WeakPolarHBondContact OE2-CA 3.44Å; M792-G796 WeakPolarHBondContact O-CA 3.43Å; M792-G796 PolarHBondContact O-N 2.77Å; M792-G796 VanDerWaalsContact O-N 3.1Å; G796-R798 PolarHBondContact O-N 3.27Å; G796-R798 VanDerWaalsContact O-N 3.13Å; G796-R799 WeakPolarHBondContact O-CB 3.34Å; G796-R799 PolarHBondContact O-N 2.98Å
797C90.8Very high92.1Very high1 Ų132.6 Ų32.61%0.00718%0.177CC..Hα-helixtrans-60.4-28.1-174.5-68.20000112.7M102 E120 M122 R799 E800 N801M102-C797 HydrophobicContact CG-CB 4.19Å; M102-C797 HydrophobicContact SD-CB 4.02Å; E120-C797 HydrophobicContact CG-CB 4.26Å; E120-C797 PolarHBondContact OE1-N 3.28Å; E120-C797 PolarHBondContact OE2-N 2.94Å; M122-C797 HydrophobicContact CB-CB 3.83Å; C797-R799 PolarHBondContact O-N 2.83Å; C797-E800 PolarHBondContact O-N 3.02Å; C797-E800 VanDerWaalsContact O-N 3.1Å; C797-N801 PolarHBondContact O-N 3.47Å
798R94.5Very high91.9Very high0 Ų027.8 Ų27.80%016%0.158CC..Hα-helixtrans-64.9-18.2178-62.8-55.8-56.7169.45.9114A758 K759 A763 L766 G796 N801 T802A758-R798 PolarHBondContact O-NH2 2.9Å; K759-R798 PolarHBondContact O-NH2 2.87Å; A763-R798 HydrophobicContact CB-CB 3.75Å; A763-R798 HydrophobicContact CB-CG 3.99Å; L766-R798 HydrophobicContact CD2-CG 4.01Å; G796-R798 PolarHBondContact O-N 3.27Å; G796-R798 VanDerWaalsContact O-N 3.13Å; R798-N801 PolarHBondContact NH1-ND2 3.24Å; R798-N801 WeakPolarHBondContact O-CB 3.12Å; R798-N801 PolarHBondContact O-N 3.27Å; R798-T802 PolarHBondContact O-N 3.28Å
799R91.6Very high91.7Very high32 Ų3233.3 Ų33.312%0.12118%0.179CC..Hα-helixtrans-74.4-37.7172.7-65.3-78.4-72.7161.35111.8R793 S794 G796 C797 N801 T802 M803 R809 T831R793-R799 WeakPolarHBondContact O-CD 3.39Å; R793-R799 WeakPolarHBondContact O-CG 3.19Å; S794-R799 WeakPolarHBondContact O-CG 3.32Å; S794-R799 PolarHBondContact O-NE 2.93Å; G796-R799 WeakPolarHBondContact O-CB 3.34Å; G796-R799 PolarHBondContact O-N 2.98Å; C797-R799 PolarHBondContact O-N 2.83Å; R799-N801 VanDerWaalsContact C-N 3.28Å; R799-N801 PolarHBondContact O-N 2.82Å; R799-T802 PolarHBondContact O-N 2.95Å; R799-T802 VanDerWaalsContact O-N 3.15Å; R799-T802 PolarHBondContact O-OG1 2.97Å; R799-M803 PolarHBondContact O-N 3.3Å; R799-M803 VanDerWaalsContact O-N 3.15Å; R799-R809 PolarHBondContact NH1-O 2.79Å; R799-R809 PolarHBondContact NH2-O 3.37Å; R799-T831 PolarHBondContact NH1-O 3.35Å
800E90.2Very high91.4Very high36 Ų3638 Ų3817%0.16820%0.199CC..Hα-helixtrans-68.4-29.9172.1-60.5-54.5140.100111.6M102 R104 C797 T802 M803 K804 R809M102-E800 HydrophobicContact CE-CB 3.71Å; M102-E800 HydrophobicContact SD-CB 3.43Å; M102-E800 WeakPolarHBondContact SD-CB 3.3Å; M102-E800 HydrophobicContact SD-CG 3.97Å; R104-E800 IonicContact NH2-OE1 3.49Å; C797-E800 PolarHBondContact O-N 3.02Å; C797-E800 VanDerWaalsContact O-N 3.1Å; E800-T802 VanDerWaalsContact C-N 3.29Å; E800-T802 PolarHBondContact O-N 2.64Å; E800-M803 WeakPolarHBondContact O-CB 3.47Å; E800-M803 PolarHBondContact O-N 3.21Å; E800-K804 WeakPolarHBondContact O-CB 3.23Å; E800-K804 WeakPolarHBondContact O-CG 3.49Å; E800-K804 PolarHBondContact O-N 3.48Å; E800-R809 IonicContact OE1-CZ 3.74Å; E800-R809 IonicContact OE1-NE 3.15Å; E800-R809 PolarHBondContact OE1-NE 3.36Å; E800-R809 IonicContact OE1-NH2 2.97Å; E800-R809 PolarHBondContact OE1-NH2 2.92Å; E800-R809 IonicContact OE2-CZ 3.23Å; E800-R809 IonicContact OE2-NE 3.08Å; E800-R809 PolarHBondContact OE2-NE 2.94Å; E800-R809 IonicContact OE2-NH2 3.3Å; E800-R809 PolarHBondContact OE2-NH2 3.22Å
801N92.6Very high91.3Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-58.3-42.3169.5-171.6-63.2000111.3M122 N210 H212 C797 R798 R799 K804 N805M122-N801 HydrophobicContact CE-CB 3.72Å; M122-N801 HydrophobicContact SD-CB 3.84Å; N210-N801 PolarHBondContact ND2-OD1 2.92Å; N210-N801 VanDerWaalsContact ND2-OD1 3.09Å; N210-N801 PolarHBondContact OD1-ND2 3.22Å; N210-N801 VanDerWaalsContact OD1-ND2 3.16Å; N210-N801 PolarHBondContact OD1-OD1 3.24Å; H212-N801 PolarHBondContact ND1-ND2 2.82Å; C797-N801 PolarHBondContact O-N 3.47Å; R798-N801 PolarHBondContact NH1-ND2 3.24Å; R798-N801 WeakPolarHBondContact O-CB 3.12Å; R798-N801 PolarHBondContact O-N 3.27Å; R799-N801 VanDerWaalsContact C-N 3.28Å; R799-N801 PolarHBondContact O-N 2.82Å; N801-K804 PolarHBondContact O-N 2.65Å; N801-N805 WeakPolarHBondContact O-CB 3.33Å; N801-N805 PolarHBondContact O-N 3.06Å; N801-N805 VanDerWaalsContact O-N 3.08Å; N801-N805 PolarHBondContact O-ND2 2.83Å; N801-N805 PolarHBondContact OD1-ND2 3.46Å
802T92.3Very high91.1Very high0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-62.8-43.1175.261.80000111.8K759 R798 R799 E800 K804 N805 V806 C808 R809 K810 Y811K759-T802 HydrophobicContact CD-CG2 4.1Å; K759-T802 HydrophobicContact CG-CG2 3.84Å; R798-T802 PolarHBondContact O-N 3.28Å; R799-T802 PolarHBondContact O-N 2.95Å; R799-T802 VanDerWaalsContact O-N 3.15Å; R799-T802 PolarHBondContact O-OG1 2.97Å; E800-T802 VanDerWaalsContact C-N 3.29Å; E800-T802 PolarHBondContact O-N 2.64Å; T802-K804 PolarHBondContact O-N 3.36Å; T802-N805 PolarHBondContact O-N 3.28Å; T802-V806 WeakPolarHBondContact O-CG2 3.38Å; T802-V806 PolarHBondContact O-N 3.3Å; T802-C808 CarbonylContact C-O 3.34Å; T802-C808 WeakPolarHBondContact CB-O 3.36Å; T802-C808 PolarHBondContact OG1-O 2.96Å; T802-R809 WeakPolarHBondContact OG1-CA 3.38Å; T802-K810 PolarHBondContact OG1-N 3.39Å; T802-Y811 HydrophobicContact CG2-CD1 3.74Å; T802-Y811 HydrophobicContact CG2-CE1 3.91Å
803M91.5Very high90.8Very high72 Ų7234.2 Ų34.236%0.35518%0.178SC..Hα-helixtrans-58.2-47.9175-17567.6-16800111.9R799 E800 N805 G807 C808 R809R799-M803 PolarHBondContact O-N 3.3Å; R799-M803 VanDerWaalsContact O-N 3.15Å; E800-M803 WeakPolarHBondContact O-CB 3.47Å; E800-M803 PolarHBondContact O-N 3.21Å; M803-N805 VanDerWaalsContact C-N 3.26Å; M803-N805 PolarHBondContact O-N 2.79Å; M803-G807 WeakPolarHBondContact O-CA 3.42Å; M803-G807 PolarHBondContact O-N 3.3Å; M803-C808 PolarHBondContact N-O 3.28Å; M803-R809 HydrophobicContact CB-CG 3.98Å; M803-R809 HydrophobicContact SD-CG 4.39Å
804K90.6Very high90.3Very high70 Ų7037.4 Ų37.430%0.30420%0.195SC..Hα-helixtrans-64.4-27.6180-75.8-172.4176.2-171.80113.7M102 E124 F193 E800 N801 T802M102-K804 HydrophobicContact CE-CD 4.11Å; M102-K804 VanDerWaalsContact CE-CE 3.4Å; E124-K804 IonicContact OE1-NZ 3.27Å; E124-K804 PolarHBondContact OE1-NZ 3.32Å; F193-K804 HydrophobicContact CE1-CD 4.27Å; F193-K804 HydrophobicContact CZ-CB 3.89Å; F193-K804 HydrophobicContact CZ-CD 4.4Å; E800-K804 WeakPolarHBondContact O-CB 3.23Å; E800-K804 WeakPolarHBondContact O-CG 3.49Å; E800-K804 PolarHBondContact O-N 3.48Å; N801-K804 PolarHBondContact O-N 2.65Å; T802-K804 PolarHBondContact O-N 3.36Å
805N90.9Very high90Very high6 Ų639.1 Ų39.13%0.03221%0.208CC..Hα-helixtrans-92.1-38.3-177.5-82.1-89.4000113.9P195 S196 T197 N210 K759 N801 T802 M803P195-N805 WeakPolarHBondContact CA-OD1 3.46Å; S196-N805 PolarHBondContact N-OD1 3.46Å; S196-N805 PolarHBondContact OG-OD1 3.43Å; T197-N805 WeakPolarHBondContact CG2-O 3.48Å; N210-N805 PolarHBondContact ND2-ND2 3.22Å; N210-N805 PolarHBondContact OD1-ND2 3.14Å; K759-N805 HydrophobicContact CD-CB 3.86Å; N801-N805 WeakPolarHBondContact O-CB 3.33Å; N801-N805 PolarHBondContact O-N 3.06Å; N801-N805 VanDerWaalsContact O-N 3.08Å; N801-N805 PolarHBondContact O-ND2 2.83Å; N801-N805 PolarHBondContact OD1-ND2 3.46Å; T802-N805 PolarHBondContact O-N 3.28Å; M803-N805 VanDerWaalsContact C-N 3.26Å; M803-N805 PolarHBondContact O-N 2.79Å
806V89.3Confident89.8Confident28 Ų2839.9 Ų39.917%0.1721%0.214CC..Hα-helixtrans-132.48.9-170.9-66.50000113.7T197 K759 T802 C808 V835 T837T197-V806 HydrophobicContact CG2-CG1 3.97Å; K759-V806 HydrophobicContact CD-CG2 4.47Å; K759-V806 VanDerWaalsContact NZ-CG1 3.35Å; T802-V806 WeakPolarHBondContact O-CG2 3.38Å; T802-V806 PolarHBondContact O-N 3.3Å; V806-C808 PolarHBondContact O-N 3.26Å; V806-C808 VanDerWaalsContact O-N 3.16Å; V806-V835 HydrophobicContact CB-CG1 4.03Å; V806-V835 HydrophobicContact CG2-CG1 3.91Å; V806-T837 HydrophobicContact CG1-CG2 4.29Å
807G88.8Confident89.7Confident52 Ų5242.9 Ų42.954%0.53623%0.228SC..SBendtrans70.77.9178.600000114.6M803M803-G807 WeakPolarHBondContact O-CA 3.42Å; M803-G807 PolarHBondContact O-N 3.3Å
808C88.8Confident89.6Confident34 Ų3443.2 Ų43.223%0.2323%0.23CC..SBendtrans-137.9143.6177.274.30000112.5T802 M803 V806 K810 V835T802-C808 CarbonylContact C-O 3.34Å; T802-C808 WeakPolarHBondContact CB-O 3.36Å; T802-C808 PolarHBondContact OG1-O 2.96Å; M803-C808 PolarHBondContact N-O 3.28Å; V806-C808 PolarHBondContact O-N 3.26Å; V806-C808 VanDerWaalsContact O-N 3.16Å; C808-K810 PolarHBondContact O-N 2.59Å; C808-V835 WeakPolarHBondContact SG-CG1 3.47Å; C808-V835 VanDerWaalsContact SG-CG2 3.59Å
809R90.1Very high89.4Confident116 Ų11650.5 Ų50.544%0.43826%0.262SS..SBendtrans-81.169.3170-63.6-179.3179.788.57.6108.7R799 E800 T802 M803R799-R809 PolarHBondContact NH1-O 2.79Å; R799-R809 PolarHBondContact NH2-O 3.37Å; E800-R809 IonicContact OE1-CZ 3.74Å; E800-R809 IonicContact OE1-NE 3.15Å; E800-R809 PolarHBondContact OE1-NE 3.36Å; E800-R809 IonicContact OE1-NH2 2.97Å; E800-R809 PolarHBondContact OE1-NH2 2.92Å; E800-R809 IonicContact OE2-CZ 3.23Å; E800-R809 IonicContact OE2-NE 3.08Å; E800-R809 PolarHBondContact OE2-NE 2.94Å; E800-R809 IonicContact OE2-NH2 3.3Å; E800-R809 PolarHBondContact OE2-NH2 3.22Å; T802-R809 WeakPolarHBondContact OG1-CA 3.38Å; M803-R809 HydrophobicContact CB-CG 3.98Å; M803-R809 HydrophobicContact SD-CG 4.39Å
810K90.1Very high89.3Confident100 Ų10050.3 Ų50.344%0.43527%0.267SS..SBendtrans-146.5136.7171.9-73.1-168.1-179.6177.60110.4T802 C808 T831 V835T802-K810 PolarHBondContact OG1-N 3.39Å; C808-K810 PolarHBondContact O-N 2.59Å; K810-T831 WeakPolarHBondContact CA-O 3.44Å; K810-V835 HydrophobicContact CB-CG2 3.87Å
811Y91.8Very high89.4Confident0 Ų049 Ų490%026%0.26CS..BIsolated β-bridgetrans-72133.5168.1-60.9-63.8000109.6D760 A763 M764 R793 T802 F813 P827 T831 Y832 G833D760-Y811 HydrophobicContact CB-CD1 4.31Å; D760-Y811 VanDerWaalsContact OD1-CA 3.24Å; D760-Y811 WeakPolarHBondContact OD1-CA 3.12Å; A763-Y811 HydrophobicContact CB-CE1 3.74Å; M764-Y811 HydrophobicContact CE-CD1 4.25Å; M764-Y811 HydrophobicContact CE-CD2 4.07Å; M764-Y811 HydrophobicContact CE-CE1 3.91Å; M764-Y811 HydrophobicContact CE-CE2 3.71Å; M764-Y811 HydrophobicContact CE-CG 4.33Å; R793-Y811 WeakPolarHBondContact O-CE2 3.43Å; R793-Y811 PolarHBondContact O-OH 2.61Å; R793-Y811 VanDerWaalsContact O-OH 3.04Å; T802-Y811 HydrophobicContact CG2-CD1 3.74Å; T802-Y811 HydrophobicContact CG2-CE1 3.91Å; Y811-F813 PolarHBondContact O-N 2.93Å; Y811-P827 HydrophobicContact CD2-CB 3.85Å; Y811-P827 HydrophobicContact CE2-CB 4.34Å; Y811-T831 PolarHBondContact N-O 3.47Å; Y811-Y832 CarbonylContact O-C 3.59Å; Y811-Y832 WeakPolarHBondContact O-CA 3.4Å; Y811-Y832 WeakPolarHBondContact O-CB 3.43Å; Y811-G833 PolarHBondContact O-N 3.12Å
812A89.2Confident89.5Confident23 Ų2350.3 Ų50.319%0.1927%0.269CS..  trans-83.966.7-175.800000111.5D760 V835 T837D760-A812 PolarHBondContact OD1-N 2.72Å; A812-V835 HydrophobicContact CB-CB 4.27Å; A812-T837 HydrophobicContact CB-CG2 3.27Å
813F89.1Confident89.5Confident14 Ų1458.8 Ų58.86%0.06131%0.306CS..  trans-123.3143.6175-59.4-61.5000110.9D760 R761 M764 Y811 L818 F821 P827 Y832 G833D760-F813 HydrophobicContact CB-CD2 4.38Å; D760-F813 HydrophobicContact CB-CE1 3.87Å; D760-F813 HydrophobicContact CB-CE2 3.58Å; D760-F813 HydrophobicContact CB-CZ 3.29Å; R761-F813 HydrophobicContact CG-CE1 4.06Å; R761-F813 HydrophobicContact CG-CZ 4.09Å; M764-F813 HydrophobicContact CG-CE2 4.3Å; M764-F813 HydrophobicContact CG-CZ 4.48Å; Y811-F813 PolarHBondContact O-N 2.93Å; F813-L818 HydrophobicContact CB-CD1 4.17Å; F813-L818 HydrophobicContact CB-CD2 3.81Å; F813-L818 HydrophobicContact CB-CG 3.91Å; F813-L818 HydrophobicContact CD1-CD2 4.29Å; F813-L818 HydrophobicContact CD2-CD2 4.02Å; F813-L818 HydrophobicContact CG-CD2 3.81Å; F813-L818 HydrophobicContact CG-CG 4.46Å; F813-F821 HydrophobicContact CD1-CZ 4.08Å; F813-F821 AromaticContact CE1-CE1 3.88Å; F813-F821 HydrophobicContact CE1-CE1 3.88Å; F813-F821 AromaticContact CE1-CZ 3.59Å; F813-F821 HydrophobicContact CE1-CZ 3.59Å; F813-F821 HydrophobicContact CZ-CE1 4.04Å; F813-F821 HydrophobicContact CZ-CZ 4.23Å; F813-P827 HydrophobicContact CD2-CG 3.89Å; F813-P827 HydrophobicContact CE2-CG 4.3Å; F813-Y832 WeakPolarHBondContact O-CD2 3.42Å; F813-G833 CarbonylContact O-C 3.58Å; F813-G833 PolarHBondContact O-N 2.95Å
814N85.4Confident89.6Confident68 Ų6857.7 Ų57.736%0.36430%0.3SS..  trans-91.5143.1165.4-178-8.8000110.3L816 Q817 L818N814-L816 PolarHBondContact O-N 2.76Å; N814-L816 VanDerWaalsContact O-N 3.11Å; N814-L816 PolarHBondContact OD1-N 2.75Å; N814-Q817 HydrophobicContact CB-CB 4.49Å; N814-Q817 HydrophobicContact CB-CG 4.1Å; N814-Q817 WeakPolarHBondContact O-CB 3.36Å; N814-Q817 PolarHBondContact O-N 3.18Å; N814-L818 PolarHBondContact O-N 3.2Å
815S84.4Confident89.9Confident66 Ų6654.4 Ų54.446%0.46229%0.286SS..Hα-helixtrans-48.8-36.4173.3-56.70000113.3
816L84.3Confident90.1Very high119 Ų11958.4 Ų58.462%0.62330%0.301SS*.Hα-helixtrans-69.3-41.1177-171.365.5000112.3N814 L818 K819N814-L816 PolarHBondContact O-N 2.76Å; N814-L816 VanDerWaalsContact O-N 3.11Å; N814-L816 PolarHBondContact OD1-N 2.75Å; L816-L818 VanDerWaalsContact C-N 3.32Å; L816-L818 PolarHBondContact O-N 3.02Å; L816-K819 HydrophobicContact CD1-CD 4.27Å; L816-K819 WeakPolarHBondContact O-CB 3.47Å; L816-K819 PolarHBondContact O-N 3.38Å
817Q86.5Confident90.3Very high63 Ų6357.6 Ų57.629%0.29430%0.296SS..Hα-helixtrans-62.6-41.5177.1-67.1171.9-51.600110.7E665 N814 K819 A820 F821E665-Q817 HydrophobicContact CG-CG 4.34Å; E665-Q817 PolarHBondContact OE1-NE2 3.43Å; N814-Q817 HydrophobicContact CB-CB 4.49Å; N814-Q817 HydrophobicContact CB-CG 4.1Å; N814-Q817 WeakPolarHBondContact O-CB 3.36Å; N814-Q817 PolarHBondContact O-N 3.18Å; Q817-K819 PolarHBondContact O-N 3.36Å; Q817-K819 VanDerWaalsContact O-N 3.16Å; Q817-A820 WeakPolarHBondContact O-CB 3.45Å; Q817-A820 PolarHBondContact O-N 2.91Å; Q817-F821 WeakPolarHBondContact O-CD2 3.22Å
818L89.2Confident90.4Very high9 Ų956 Ų565%0.04728%0.276CS..Hα-helixtrans-62.4-22.7179.4-68.1179.3000113.6F813 N814 L816 A820 F821 R826 P827 Y832F813-L818 HydrophobicContact CB-CD1 4.17Å; F813-L818 HydrophobicContact CB-CD2 3.81Å; F813-L818 HydrophobicContact CB-CG 3.91Å; F813-L818 HydrophobicContact CD1-CD2 4.29Å; F813-L818 HydrophobicContact CD2-CD2 4.02Å; F813-L818 HydrophobicContact CG-CD2 3.81Å; F813-L818 HydrophobicContact CG-CG 4.46Å; N814-L818 PolarHBondContact O-N 3.2Å; L816-L818 VanDerWaalsContact C-N 3.32Å; L816-L818 PolarHBondContact O-N 3.02Å; L818-A820 PolarHBondContact O-N 3.17Å; L818-F821 HydrophobicContact CD2-CD1 4.44Å; L818-F821 HydrophobicContact CD2-CD2 4.39Å; L818-F821 HydrophobicContact CD2-CG 4.29Å; L818-F821 PolarHBondContact O-N 3.27Å; L818-F821 VanDerWaalsContact O-N 3.1Å; L818-R826 PolarHBondContact O-NE 2.96Å; L818-R826 PolarHBondContact O-NH2 3.16Å; L818-P827 HydrophobicContact CD1-CG 3.88Å; L818-P827 HydrophobicContact CD2-CG 4.18Å; L818-Y832 HydrophobicContact CD1-CD1 3.96Å; L818-Y832 HydrophobicContact CD1-CD2 3.72Å; L818-Y832 HydrophobicContact CD1-CE1 3.79Å; L818-Y832 HydrophobicContact CD1-CE2 3.58Å; L818-Y832 HydrophobicContact CD1-CG 3.91Å
819K89.9Confident90.4Very high153 Ų15362.7 Ų62.767%0.66530%0.304SS*.THydrogen-bonded Turntrans-62.2-29.4172.5-65-172-176.91790112.2L816 Q817 R826L816-K819 HydrophobicContact CD1-CD 4.27Å; L816-K819 WeakPolarHBondContact O-CB 3.47Å; L816-K819 PolarHBondContact O-N 3.38Å; Q817-K819 PolarHBondContact O-N 3.36Å; Q817-K819 VanDerWaalsContact O-N 3.16Å; K819-R826 PolarHBondContact O-NH2 3.24Å; K819-R826 VanDerWaalsContact O-NH2 3.16Å
820A89.7Confident90.2Very high28 Ų2860.4 Ų60.423%0.23132%0.316CS..THydrogen-bonded Turntrans-80-15.5176.900000113.3E665 K732 Q817 L818E665-A820 HydrophobicContact CB-CB 3.9Å; K732-A820 PolarHBondContact NZ-O 2.89Å; Q817-A820 WeakPolarHBondContact O-CB 3.45Å; Q817-A820 PolarHBondContact O-N 2.91Å; L818-A820 PolarHBondContact O-N 3.17Å
821F93.3Very high90.1Very high7 Ų756 Ų563%0.03130%0.298CS..SBendtrans-78.3145.6-177.7-81.7-126.1000111.4I663 N664 R761 F813 Q817 L818 R826I663-F821 HydrophobicContact CD1-CD1 4.04Å; I663-F821 HydrophobicContact CD1-CE1 3.83Å; I663-F821 HydrophobicContact CG1-CD1 4.34Å; I663-F821 HydrophobicContact CG1-CE1 4.07Å; N664-F821 HydrophobicContact CB-CE2 3.73Å; N664-F821 HydrophobicContact CB-CZ 3.87Å; R761-F821 HydrophobicContact CG-CE1 4Å; R761-F821 HydrophobicContact CG-CZ 4.11Å; F813-F821 HydrophobicContact CD1-CZ 4.08Å; F813-F821 AromaticContact CE1-CE1 3.88Å; F813-F821 HydrophobicContact CE1-CE1 3.88Å; F813-F821 AromaticContact CE1-CZ 3.59Å; F813-F821 HydrophobicContact CE1-CZ 3.59Å; F813-F821 HydrophobicContact CZ-CE1 4.04Å; F813-F821 HydrophobicContact CZ-CZ 4.23Å; Q817-F821 WeakPolarHBondContact O-CD2 3.22Å; L818-F821 HydrophobicContact CD2-CD1 4.44Å; L818-F821 HydrophobicContact CD2-CD2 4.39Å; L818-F821 HydrophobicContact CD2-CG 4.29Å; L818-F821 PolarHBondContact O-N 3.27Å; L818-F821 VanDerWaalsContact O-N 3.1Å; F821-R826 HydrophobicContact CB-CG 4.05Å; F821-R826 PolarHBondContact O-NE 3.36Å; F821-R826 VanDerWaalsContact O-NE 3.12Å; F821-R826 PolarHBondContact O-NH2 3.37Å
822P94.7Very high89.9Confident29 Ų2958.5 Ų58.519%0.18831%0.308CS..  trans-53.8141.5164.3-21.832.5000110.7I663 V734 Q824 Y825I663-P822 HydrophobicContact CB-CG 4.47Å; I663-P822 HydrophobicContact CG2-CG 4.43Å; V734-P822 HydrophobicContact CG1-CG 3.98Å; P822-Q824 VanDerWaalsContact C-N 3.32Å; P822-Q824 PolarHBondContact O-N 2.85Å; P822-Y825 HydrophobicContact CB-CD2 3.99Å; P822-Y825 HydrophobicContact CG-CD2 4.36Å; P822-Y825 PolarHBondContact O-N 3.47Å
823K92.3Very high89.6Confident178 Ų17858.2 Ų58.277%0.77431%0.307SS*.G310 helixtrans-54-44.7-170.8-70-176.7179.51790113.1Y825 R826K823-Y825 PolarHBondContact O-N 3.1Å; K823-R826 PolarHBondContact O-N 2.93Å
824Q94Very high88.8Confident49 Ų4967 Ų6723%0.22935%0.345CS..G310 helixtrans-68.5-15.2-179.2-71.6169.9-44.300114W738 L768 Y786 R793 P822W738-Q824 VanDerWaalsContact CZ2-OE1 3.26Å; L768-Q824 HydrophobicContact CD1-CB 4.08Å; L768-Q824 HydrophobicContact CD2-CB 4.02Å; Y786-Q824 HydrophobicContact CE1-CG 4.2Å; R793-Q824 VanDerWaalsContact CZ-O 3.31Å; R793-Q824 PolarHBondContact NH1-O 3.01Å; R793-Q824 PolarHBondContact NH2-O 3.16Å; P822-Q824 VanDerWaalsContact C-N 3.32Å; P822-Q824 PolarHBondContact O-N 2.85Å
825Y95.8Very high87.7Confident1 Ų165.3 Ų65.30%0.00434%0.338CS..G310 helixtrans-96.48.1178.4-76.4-98.8000113.1L578 I663 V734 W738 M764 S765 L768 P822 K823L578-Y825 HydrophobicContact CD2-CE1 4.47Å; I663-Y825 HydrophobicContact CD1-CD1 3.55Å; I663-Y825 HydrophobicContact CD1-CE1 4.19Å; I663-Y825 HydrophobicContact CD1-CG 4.1Å; V734-Y825 HydrophobicContact CB-CE2 3.96Å; V734-Y825 HydrophobicContact CG1-CD2 4.46Å; V734-Y825 HydrophobicContact CG1-CE2 3.87Å; V734-Y825 HydrophobicContact CG2-CE2 4.14Å; W738-Y825 HydrophobicContact CZ2-CE2 4.03Å; W738-Y825 AromaticContact NE1-CE2 3.87Å; W738-Y825 AromaticContact NE1-CZ 3.83Å; W738-Y825 PolarHBondContact NE1-OH 3.01Å; M764-Y825 HydrophobicContact CB-CD1 4.03Å; M764-Y825 VanDerWaalsContact CG-O 3.24Å; M764-Y825 WeakPolarHBondContact CG-O 3.37Å; S765-Y825 WeakPolarHBondContact OG-CE1 3.43Å; S765-Y825 PolarHBondContact OG-OH 3.16Å; L768-Y825 HydrophobicContact CD2-CD2 4.03Å; L768-Y825 HydrophobicContact CD2-CE1 4.43Å; L768-Y825 HydrophobicContact CD2-CE2 3.52Å; P822-Y825 HydrophobicContact CB-CD2 3.99Å; P822-Y825 HydrophobicContact CG-CD2 4.36Å; P822-Y825 PolarHBondContact O-N 3.47Å; K823-Y825 PolarHBondContact O-N 3.1Å
826R94.7Very high86.1Confident90 Ų9071.1 Ų71.134%0.3436%0.358SS..PPolyproline II helixtrans-88.5134.1178.3-62.6178.2-172.5-178.5-2.4110.6R793 L818 K819 F821 K823R793-R826 PolarHBondContact NH1-O 3.3Å; L818-R826 PolarHBondContact O-NE 2.96Å; L818-R826 PolarHBondContact O-NH2 3.16Å; K819-R826 PolarHBondContact O-NH2 3.24Å; K819-R826 VanDerWaalsContact O-NH2 3.16Å; F821-R826 HydrophobicContact CB-CG 4.05Å; F821-R826 PolarHBondContact O-NE 3.36Å; F821-R826 VanDerWaalsContact O-NE 3.12Å; F821-R826 PolarHBondContact O-NH2 3.37Å; K823-R826 PolarHBondContact O-N 2.93Å
827P93.6Very high84.3Confident10 Ų1069.7 Ų69.77%0.06535%0.354CS..PPolyproline II helixtrans-70.4154.7172.832.5-37.3000110.9M764 Y811 F813 L818 Y832M764-P827 HydrophobicContact CE-CB 4.07Å; M764-P827 HydrophobicContact SD-CB 3.8Å; M764-P827 HydrophobicContact SD-CG 4.42Å; Y811-P827 HydrophobicContact CD2-CB 3.85Å; Y811-P827 HydrophobicContact CE2-CB 4.34Å; F813-P827 HydrophobicContact CD2-CG 3.89Å; F813-P827 HydrophobicContact CE2-CG 4.3Å; L818-P827 HydrophobicContact CD1-CG 3.88Å; L818-P827 HydrophobicContact CD2-CG 4.18Å; P827-Y832 HydrophobicContact CB-CD1 4.2Å; P827-Y832 HydrophobicContact CG-CD1 3.56Å; P827-Y832 HydrophobicContact CG-CE1 4.3Å; P827-Y832 HydrophobicContact CG-CG 3.98Å
828P92.4Very high84.2Confident18 Ų1870.1 Ų70.112%0.11736%0.357CS..PPolyproline II helixtrans-65.9152.8174.424-30.5000111.9D790 R793 S794 T831D790-P828 HydrophobicContact CB-CB 4.17Å; D790-P828 HydrophobicContact CB-CG 4.34Å; R793-P828 HydrophobicContact CB-CG 4.06Å; S794-P828 WeakPolarHBondContact OG-CG 3.34Å; P828-T831 HydrophobicContact CG-CG2 3.81Å; P828-T831 PolarHBondContact O-N 3.21Å; P828-T831 PolarHBondContact O-OG1 3.07Å
829E87.9Confident83.9Confident175 Ų17573.3 Ų73.382%0.81837%0.373SS*.THydrogen-bonded Turntrans-58146.4179.7-65.7-171.6170.700112.2T831E829-T831 PolarHBondContact O-N 3.01Å
830G86.4Confident83.6Confident68 Ų6868.8 Ų68.870%0.70136%0.357SS*.THydrogen-bonded Turntrans80.2-10.9-176.500000115.2
831T87.3Confident83.2Confident9 Ų971.2 Ų71.26%0.05536%0.364CS..SBendtrans-96-8.1-179.170.60000114.8R799 K810 Y811 P828 E829R799-T831 PolarHBondContact NH1-O 3.35Å; K810-T831 WeakPolarHBondContact CA-O 3.44Å; Y811-T831 PolarHBondContact N-O 3.47Å; P828-T831 HydrophobicContact CG-CG2 3.81Å; P828-T831 PolarHBondContact O-N 3.21Å; P828-T831 PolarHBondContact O-OG1 3.07Å; E829-T831 PolarHBondContact O-N 3.01Å
832Y88.1Confident82.6Confident51 Ų5175.3 Ų75.320%0.239%0.385CS..BIsolated β-bridgetrans-124.4161.8-178.464.6-90.5000112.6Y811 F813 L818 P827Y811-Y832 CarbonylContact O-C 3.59Å; Y811-Y832 WeakPolarHBondContact O-CA 3.4Å; Y811-Y832 WeakPolarHBondContact O-CB 3.43Å; F813-Y832 WeakPolarHBondContact O-CD2 3.42Å; L818-Y832 HydrophobicContact CD1-CD1 3.96Å; L818-Y832 HydrophobicContact CD1-CD2 3.72Å; L818-Y832 HydrophobicContact CD1-CE1 3.79Å; L818-Y832 HydrophobicContact CD1-CE2 3.58Å; L818-Y832 HydrophobicContact CD1-CG 3.91Å; P827-Y832 HydrophobicContact CB-CD1 4.2Å; P827-Y832 HydrophobicContact CG-CD1 3.56Å; P827-Y832 HydrophobicContact CG-CE1 4.3Å; P827-Y832 HydrophobicContact CG-CG 3.98Å
833G83.6Confident81.8Confident18 Ų1878.3 Ų78.319%0.18640%0.398CS..  trans174.7-178.3175.200000113.6Y811 F813 V835Y811-G833 PolarHBondContact O-N 3.12Å; F813-G833 CarbonylContact O-C 3.58Å; F813-G833 PolarHBondContact O-N 2.95Å; G833-V835 PolarHBondContact O-N 3.11Å
834K70.5Confident81Confident197 Ų19771.2 Ų71.286%0.85737%0.372SS*.  trans-65.9121.4170.8-73.3-172.3179.4-177.50109.1
835V62.7Low80Confident34 Ų3472.9 Ų72.921%0.20638%0.382CS..  trans-136136.6174.6-176.20000105.9V806 C808 K810 A812 G833 T837V806-V835 HydrophobicContact CB-CG1 4.03Å; V806-V835 HydrophobicContact CG2-CG1 3.91Å; C808-V835 WeakPolarHBondContact SG-CG1 3.47Å; C808-V835 VanDerWaalsContact SG-CG2 3.59Å; K810-V835 HydrophobicContact CB-CG2 3.87Å; A812-V835 HydrophobicContact CB-CB 4.27Å; G833-V835 PolarHBondContact O-N 3.11Å; V835-T837 HydrophobicContact CB-CG2 4.45Å; V835-T837 PolarHBondContact O-N 3.2Å
836E51.9Low78.7Confident188 Ų18878.9 Ų78.988%0.87941%0.414SS*.  trans-67.5120.8170.3-67.9-178.9169.800108.7
837T45.9Very low77.3Confident89 Ų8977.9 Ų77.955%0.54642%0.421SS..  trans-127.40-171.555.60000114.7K759 V806 A812 V835K759-T837 VanDerWaalsContact NZ-CG2 3.35Å; V806-T837 HydrophobicContact CG1-CG2 4.29Å; A812-T837 HydrophobicContact CB-CG2 3.27Å; V835-T837 HydrophobicContact CB-CG2 4.45Å; V835-T837 PolarHBondContact O-N 3.2Å

Retrieved 837 of 837 residues in 487.4 ms (Link to these results)

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