A0A096MKA0_RAT Loading...

Megakaryocyte and platelet inhibitory receptor G6b

AlphaFold DB , UniProt , Accession A0A096MKA0, Species RAT (Rattus norvegicus, Rat), Gene Mpig6b, Length 244 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
1M52.9Low56.3Low210 Ų210118.3 Ų118.3100%1.03464%0.643SS**  0-39.30-63.1-64.5-8800113.1L3M1-L3 PolarHBondContact O-N 3.42Å
2A57Low55.9Low71 Ų71119 Ų11959%0.58765%0.645SS**Hα-helixtrans-69.4-27-178.400000115.4V4 L5A2-V4 PolarHBondContact O-N 3.42Å; A2-L5 PolarHBondContact O-N 3.28Å
3L55.1Low54.8Low128 Ų128115.7 Ų115.767%0.6764%0.636SS**Hα-helixtrans-72.5-27.3-176.9-117.2134.5000113.8M1M1-L3 PolarHBondContact O-N 3.42Å
4V58.4Low53.8Low101 Ų101121.5 Ų121.561%0.61265%0.652SS**Hα-helixtrans-73.4-33.4178.61800000111A2 Q6 L7 L8A2-V4 PolarHBondContact O-N 3.42Å; V4-Q6 VanDerWaalsContact C-N 3.35Å; V4-L7 PolarHBondContact O-N 3.39Å; V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.5Å
5L57.7Low52.9Low126 Ų126122.1 Ų122.166%0.6666%0.661SS**Hα-helixtrans-73.4-24.1177.3-79.8159.2000113.3A2 P9A2-L5 PolarHBondContact O-N 3.28Å; L5-P9 WeakPolarHBondContact O-CD 3.12Å
6Q59.2Low52Low139 Ų139124.8 Ų124.865%0.6567%0.668SS**Hα-helixtrans-81.4-19.2175.4-71.8-179.2-11.200113.4V4 P9V4-Q6 VanDerWaalsContact C-N 3.35Å; Q6-P9 WeakPolarHBondContact O-CD 3.48Å; Q6-P9 WeakPolarHBondContact O-CG 3.15Å
7L57Low51.2Low92 Ų92120.9 Ų120.948%0.48266%0.664SS.*Hα-helixtrans-90.5-18.1176.7-75.4161.6000113.4V4 L10 L11V4-L7 PolarHBondContact O-N 3.39Å; L7-L10 HydrophobicContact CD2-CD1 4.16Å; L7-L10 PolarHBondContact O-N 3.39Å; L7-L11 PolarHBondContact O-N 2.86Å
8L56Low51.4Low83 Ų83117.6 Ų117.644%0.43565%0.645SS.*Hα-helixtrans-55.9-47.8173.2-111.477.3000114V4 L10 L11 L12V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.5Å; L8-L10 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L11 VanDerWaalsContact O-N 3.13Å; L8-L12 HydrophobicContact CB-CD1 4.48Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.41Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.12Å
9P58Low51.9Low84 Ų84116 Ų11655%0.54564%0.641SS.*Hα-helixtrans-65.9-24-179.723.3-32.5000113.4L5 Q6 S13L5-P9 WeakPolarHBondContact O-CD 3.12Å; Q6-P9 WeakPolarHBondContact O-CD 3.48Å; Q6-P9 WeakPolarHBondContact O-CG 3.15Å; P9-S13 PolarHBondContact O-N 3.5Å
10L53.3Low53Low121 Ų121116.4 Ų116.463%0.63464%0.638SS**Hα-helixtrans-73.1-35.9174.5-81.8154.7000111.7L7 L8 S13L7-L10 HydrophobicContact CD2-CD1 4.16Å; L7-L10 PolarHBondContact O-N 3.39Å; L8-L10 PolarHBondContact O-N 3.25Å; L10-S13 PolarHBondContact O-OG 2.97Å
11L54.9Low54.6Low146 Ų146113 Ų11376%0.76462%0.621SS**Hα-helixtrans-77.7-24.7178.1-70.2164.9000113.4L7 L8L7-L11 PolarHBondContact O-N 2.86Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L11 VanDerWaalsContact O-N 3.13Å
12L51.7Low56.5Low127 Ų127106.4 Ų106.467%0.66560%0.595SS**SBendtrans-87.4-5.5176.7-83.2117.4000114.3L8 K14L8-L12 HydrophobicContact CB-CD1 4.48Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.41Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.12Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 2.63Å
13S41.5Very low58.1Low76 Ų76105.3 Ų105.353%0.53158%0.579SS.*THydrogen-bonded Turntrans-76-2.8-175640000115.3P9 L10 V15P9-S13 PolarHBondContact O-N 3.5Å; L10-S13 PolarHBondContact O-OG 2.97Å; S13-V15 PolarHBondContact O-N 2.97Å; S13-V15 VanDerWaalsContact O-N 3.11Å
14K40.3Very low60Low197 Ų197105.4 Ų105.486%0.85758%0.577SS**THydrogen-bonded Turntrans-81.925.8176.8-147.6-162.917885.70114.2L12 Q16L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 2.63Å; K14-Q16 VanDerWaalsContact C-N 3.26Å
15V40Very low61.7Low131 Ų131100.8 Ų100.879%0.79455%0.549SS*.  trans-98.657.5159-170.10000107.5S13 G17S13-V15 PolarHBondContact O-N 2.97Å; S13-V15 VanDerWaalsContact O-N 3.11Å; V15-G17 PolarHBondContact O-N 3.14Å
16Q38.2Very low63.5Low165 Ų16598.5 Ų98.577%0.77154%0.538SS*.  trans-7286.8165.2-166.48032.400105.9K14 N18K14-Q16 VanDerWaalsContact C-N 3.26Å; Q16-N18 PolarHBondContact O-N 3.15Å
17G40Very low65.3Low58 Ų5895 Ų9560%0.59853%0.527SS*.  trans-51.8111.9164.400000107.1V15V15-G17 PolarHBondContact O-N 3.14Å
18N53.4Low67Low61 Ų6193 Ų9333%0.32653%0.529SS..  trans-52.9126.2176.6-167.810.1000107.9Q16 E20 E113Q16-N18 PolarHBondContact O-N 3.15Å; N18-E20 PolarHBondContact O-N 3.27Å; N18-E113 PolarHBondContact ND2-O 3.21Å
19P60.8Low68.9Low88 Ų8892.3 Ų92.357%0.57153%0.525SS*.  trans-60.8105.918023.6-32.8000108.4V21P19-V21 PolarHBondContact O-N 3.29Å; P19-V21 VanDerWaalsContact O-N 3.14Å
20E75.3Confident70.8Confident123 Ų12395.4 Ų95.458%0.57553%0.526SS*.  trans-68.4111.1175.5-171.5172.1139.700107.6N18 S22 V117N18-E20 PolarHBondContact O-N 3.27Å; E20-S22 PolarHBondContact O-N 3.49Å; E20-V117 HydrophobicContact CG-CG2 3.85Å; E20-V117 WeakPolarHBondContact OE1-CG2 3.41Å
21V86.9Confident72.8Confident46 Ų4690.5 Ų90.528%0.27950%0.501SS..EExtended strand (participates in β ladder)trans-81.9112.8176.7179.50000107.4P19 L23 I36 R115 T116 V117P19-V21 PolarHBondContact O-N 3.29Å; P19-V21 VanDerWaalsContact O-N 3.14Å; V21-L23 HydrophobicContact CG1-CD2 4.16Å; V21-L23 HydrophobicContact CG1-CG 4.33Å; V21-I36 HydrophobicContact CG2-CD1 3.94Å; V21-R115 PolarHBondContact N-O 3.28Å; V21-T116 HydrophobicContact CB-CG2 4.3Å; V21-T116 HydrophobicContact CG1-CG2 4.35Å; V21-T116 CarbonylContact O-C 3.58Å; V21-T116 VanDerWaalsContact O-CA 3.27Å; V21-T116 WeakPolarHBondContact O-CA 3.39Å; V21-T116 WeakPolarHBondContact O-CG2 3.42Å; V21-V117 PolarHBondContact O-N 2.9Å
22S90.9Very high74.7Confident71 Ų7188.3 Ų88.350%0.49749%0.491SS..EExtended strand (participates in β ladder)trans-94.4127.7173.9-170.90000109.9E20 V117E20-S22 PolarHBondContact O-N 3.49Å; S22-V117 CarbonylContact C-O 3.45Å; S22-V117 WeakPolarHBondContact CA-O 3.44Å
23L92.3Very high76.7Confident48 Ų4882.3 Ų82.325%0.25146%0.459SS..EExtended strand (participates in β ladder)trans-117.6139.9174.8-59.9177.4000108.8V21 L33 T116 V117 I118 Q119V21-L23 HydrophobicContact CG1-CD2 4.16Å; V21-L23 HydrophobicContact CG1-CG 4.33Å; L23-L33 HydrophobicContact CD1-CD2 4.09Å; L23-T116 HydrophobicContact CD1-CG2 3.7Å; L23-T116 HydrophobicContact CG-CG2 4.02Å; L23-V117 PolarHBondContact N-O 3.11Å; L23-I118 CarbonylContact O-C 3.51Å; L23-I118 WeakPolarHBondContact O-CA 3.48Å; L23-Q119 PolarHBondContact O-N 3.29Å
24E94.8Very high79.1Confident131 Ų13180.8 Ų80.861%0.61245%0.449SS*.EExtended strand (participates in β ladder)trans-123.4141.5176.2-170.4174.5164.500108.9Q119 L121E24-Q119 WeakPolarHBondContact CA-O 3.37Å; E24-L121 HydrophobicContact CG-CD2 4.39Å; E24-L121 HydrophobicContact CG-CG 4.25Å; E24-L121 VanDerWaalsContact OE1-CD2 3.24Å; E24-L121 WeakPolarHBondContact OE1-CD2 3.35Å
25G94.1Very high81.6Confident4 Ų471.6 Ų71.64%0.04141%0.409CS..EExtended strand (participates in β ladder)trans-166.8170-179.500000113.5Q119 V120 L121G25-Q119 PolarHBondContact N-O 3.12Å; G25-Q119 VanDerWaalsContact N-O 3.08Å; G25-V120 CarbonylContact O-C 3.58Å; G25-V120 WeakPolarHBondContact O-CA 3.33Å; G25-L121 PolarHBondContact O-N 3.42Å
26N95.8Very high83.9Confident77 Ų7769.6 Ų69.641%0.41239%0.393SS..  trans-98.1156.8177.4-58.9-83.1000111.1G28 D29 L96 L121N26-G28 PolarHBondContact O-N 2.93Å; N26-D29 WeakPolarHBondContact CB-OD2 3.32Å; N26-D29 PolarHBondContact N-OD2 2.94Å; N26-D29 PolarHBondContact ND2-OD2 2.75Å; N26-D29 WeakPolarHBondContact O-CB 3.25Å; N26-D29 PolarHBondContact O-N 3.02Å; N26-L96 WeakPolarHBondContact O-CB 3.45Å; N26-L121 VanDerWaalsContact OD1-CD1 3.24Å; N26-L121 WeakPolarHBondContact OD1-CD1 3.33Å
27P95.4Very high86.3Confident67 Ų6765 Ų6544%0.43539%0.389SS..THydrogen-bonded Turntrans-54.4128.4166.2-2333.8000110.9V120P27-V120 HydrophobicContact CG-CG1 3.83Å
28G94.4Very high88.6Confident50 Ų5062.3 Ų62.352%0.51536%0.362SS..THydrogen-bonded Turntrans98-14.9-174.900000114.7N26 L95 L96N26-G28 PolarHBondContact O-N 2.93Å; G28-L95 WeakPolarHBondContact O-CD1 3.44Å; G28-L96 PolarHBondContact N-O 2.69Å
29D96.3Very high90.1Very high67 Ų6763.7 Ų63.736%0.35838%0.376SS..  trans-73149.9175.4-66.4-16.2000110.9N26 L96N26-D29 WeakPolarHBondContact CB-OD2 3.32Å; N26-D29 PolarHBondContact N-OD2 2.94Å; N26-D29 PolarHBondContact ND2-OD2 2.75Å; N26-D29 WeakPolarHBondContact O-CB 3.25Å; N26-D29 PolarHBondContact O-N 3.02Å; D29-L96 HydrophobicContact CB-CD1 4.34Å; D29-L96 PolarHBondContact O-N 3.28Å
30R96.2Very high91.4Very high149 Ų14964.8 Ų64.856%0.56238%0.377SS*.EExtended strand (participates in β ladder)trans-100.3126.4171.8-68.1-178.7178.7-84.5-5.6109.4E93 L94 L95R30-E93 HydrophobicContact CB-CG 4.27Å; R30-E93 IonicContact CZ-OE2 2.74Å; R30-E93 IonicContact NH1-OE2 3.8Å; R30-E93 PolarHBondContact NH1-OE2 3.49Å; R30-L94 WeakPolarHBondContact CA-O 3.26Å; R30-L95 HydrophobicContact CG-CD1 3.91Å
31V95.6Very high92.2Very high19 Ų1960 Ų6012%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-121.7147.2178.7-61.50000111.7E93 L94 L96 I118V31-E93 WeakPolarHBondContact O-CA 3.44Å; V31-L94 HydrophobicContact CG2-CB 4.15Å; V31-L94 PolarHBondContact N-O 3.24Å; V31-L94 PolarHBondContact O-N 2.88Å; V31-L96 HydrophobicContact CG1-CD1 3.65Å; V31-L96 HydrophobicContact CG1-CG 4.04Å; V31-L96 HydrophobicContact CG2-CD1 4.31Å; V31-L96 HydrophobicContact CG2-CD2 3.65Å; V31-L96 HydrophobicContact CG2-CG 3.92Å; V31-I118 HydrophobicContact CG2-CD1 4.15Å
32N94.9Very high92.4Very high100 Ų10059.9 Ų59.954%0.53536%0.356SS..EExtended strand (participates in β ladder)trans-102.7120.2-178.9-69.6-25.7000110.7L85 L92N32-L85 WeakPolarHBondContact OD1-CD1 3.14Å; N32-L92 CarbonylContact C-O 3.52Å; N32-L92 WeakPolarHBondContact CA-O 3.13Å
33L94Very high92.4Very high0 Ų060.7 Ų60.70%035%0.348CS..EExtended strand (participates in β ladder)trans-97.5132.4173.7-49.8176.7000108.6L23 W44 R91 L92 L94 F104 T116 I118L23-L33 HydrophobicContact CD1-CD2 4.09Å; L33-W44 HydrophobicContact CB-CH2 3.71Å; L33-W44 HydrophobicContact CB-CZ2 4.32Å; L33-W44 HydrophobicContact CB-CZ3 4.12Å; L33-R91 CarbonylContact O-C 3.5Å; L33-R91 VanDerWaalsContact O-CA 3.3Å; L33-R91 WeakPolarHBondContact O-CA 3.44Å; L33-L92 HydrophobicContact CB-CB 4.28Å; L33-L92 PolarHBondContact N-O 3.29Å; L33-L92 PolarHBondContact O-N 2.68Å; L33-L94 HydrophobicContact CD1-CB 4.48Å; L33-F104 HydrophobicContact CD1-CB 4.48Å; L33-F104 HydrophobicContact CD1-CD1 3.71Å; L33-F104 HydrophobicContact CD1-CE1 4.09Å; L33-F104 HydrophobicContact CD1-CG 4.05Å; L33-T116 HydrophobicContact CD2-CG2 3.97Å; L33-I118 HydrophobicContact CD1-CD1 4.48Å; L33-I118 HydrophobicContact CD2-CD1 3.55Å; L33-I118 HydrophobicContact CD2-CG1 4.18Å
34S92.5Very high92.5Very high45 Ų4558.4 Ų58.432%0.31534%0.336SS..EExtended strand (participates in β ladder)trans-127.7134.6179.959.30000111.8I36S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 3.41Å; S34-I36 WeakPolarHBondContact OG-CG1 3.48Å
35C91.3Very high92.5Very high4 Ų452.8 Ų52.83%0.02731%0.312CS..  trans-78.573.8172.9-66.70000110.3V38 W44 I89 K90 C106 S114C35-V38 HydrophobicContact CB-CB 4.23Å; C35-W44 HydrophobicContact CB-CZ2 4.35Å; C35-W44 WeakPolarHBondContact SG-CZ2 3.3Å; C35-I89 PolarHBondContact SG-O 3.27Å; C35-K90 HydrophobicContact CB-CG 3.91Å; C35-K90 WeakPolarHBondContact CB-O 3.24Å; C35-K90 PolarHBondContact N-O 2.86Å; C35-C106 HydrophobicContact CB-CB 3.87Å; C35-C106 WeakPolarHBondContact CB-SG 3.38Å; C35-C106 WeakPolarHBondContact SG-CB 3.07Å; C35-C106 CovalentContact SG-SG 2.03Å; C35-C106 PolarHBondContact SG-SG 2.77Å; C35-S114 WeakPolarHBondContact CA-OG 3.23Å
36I89.6Confident92.6Very high89 Ų8952.7 Ų52.746%0.45631%0.31SS..THydrogen-bonded Turntrans-70.6132.6178.9-52.8176.9000109.7V21 S34 V38 S114V21-I36 HydrophobicContact CG2-CD1 3.94Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 3.41Å; S34-I36 WeakPolarHBondContact OG-CG1 3.48Å; I36-V38 PolarHBondContact O-N 3.44Å; I36-S114 WeakPolarHBondContact O-CB 3.21Å
37G87.1Confident92.6Very high67 Ų6750 Ų5069%0.69130%0.298SS*.THydrogen-bonded Turntrans73.76.6178.100000115.3
38V89.3Confident92.6Very high3 Ų347.5 Ų47.52%0.01828%0.282CS..  trans-114.6112.9176-179.30000109.3C35 I36 P41 G108 N112C35-V38 HydrophobicContact CB-CB 4.23Å; I36-V38 PolarHBondContact O-N 3.44Å; V38-P41 HydrophobicContact CG1-CB 4.19Å; V38-G108 VanDerWaalsContact CG1-CA 3.45Å; V38-N112 HydrophobicContact CG2-CB 4.36Å
39S85.7Confident92.5Very high90 Ų9048 Ų4863%0.62928%0.278SS*.SBendtrans-72-53.3-178.2-52.90000112.4P41S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.44Å
40D88Confident92.4Very high111 Ų11147.9 Ų47.959%0.59428%0.275SS*.SBendtrans-116.982.9-176.3-59.8-67.8000110.8G108 R109D40-G108 VanDerWaalsContact O-CA 3.23Å; D40-G108 WeakPolarHBondContact O-CA 3.32Å; D40-R109 PolarHBondContact O-N 2.88Å
41P90.4Very high92.1Very high23 Ų2341.8 Ų41.815%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-68.7133.6-17930-35.6000110.8V38 S39 I89 K90 C106V38-P41 HydrophobicContact CG1-CB 4.19Å; S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.44Å; P41-I89 HydrophobicContact CB-CD1 4.12Å; P41-I89 HydrophobicContact CB-CG1 3.91Å; P41-I89 HydrophobicContact CG-CG1 3.87Å; P41-K90 HydrophobicContact CG-CB 4.12Å; P41-C106 VanDerWaalsContact CB-SG 3.56Å
42T91.1Very high91.8Very high43 Ų4344.5 Ų44.526%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-107.6-33.5-177.659.80000112.4A66 K107 R109T42-A66 PolarHBondContact O-N 3.4Å; T42-K107 PolarHBondContact N-O 2.85Å; T42-K107 PolarHBondContact OG1-O 2.93Å; T42-R109 HydrophobicContact CG2-CB 4.42Å; T42-R109 HydrophobicContact CG2-CG 3.45Å; T42-R109 VanDerWaalsContact CG2-CG 3.45Å
43R92.4Very high91.5Very high88 Ų8842.2 Ų42.233%0.33227%0.27SS..EExtended strand (participates in β ladder)trans-157.6155.4-17969-176-170.9-172.11.9112.3L64 W65 K107R43-L64 CarbonylContact C-O 3.58Å; R43-L64 VanDerWaalsContact CA-O 3.26Å; R43-L64 WeakPolarHBondContact CA-O 3.34Å; R43-W65 HydrophobicContact CB-CD2 4.1Å; R43-W65 HydrophobicContact CB-CE3 3.6Å; R43-W65 HydrophobicContact CB-CZ3 3.86Å; R43-W65 VanDerWaalsContact CD-CZ3 3.43Å; R43-W65 HydrophobicContact CG-CE3 4.46Å; R43-W65 HydrophobicContact CG-CZ3 4.23Å; R43-K107 HydrophobicContact CG-CB 4.02Å; R43-K107 PolarHBondContact N-O 3.37Å; R43-K107 PolarHBondContact O-N 2.84Å
44W94.5Very high91Very high0 Ų046.3 Ų46.30%029%0.288CS..EExtended strand (participates in β ladder)trans-107.4144.5162.2-73.682.8000111L33 C35 I63 L64 I89 L92 F104 F105 C106L33-W44 HydrophobicContact CB-CH2 3.71Å; L33-W44 HydrophobicContact CB-CZ2 4.32Å; L33-W44 HydrophobicContact CB-CZ3 4.12Å; C35-W44 HydrophobicContact CB-CZ2 4.35Å; C35-W44 WeakPolarHBondContact SG-CZ2 3.3Å; W44-I63 HydrophobicContact CB-CD1 3.93Å; W44-I63 HydrophobicContact CB-CG1 3.59Å; W44-I63 WeakPolarHBondContact O-CG1 3.44Å; W44-I63 PolarHBondContact O-N 2.79Å; W44-L64 HydrophobicContact CB-CB 4.09Å; W44-L64 PolarHBondContact N-O 3.27Å; W44-L64 PolarHBondContact O-N 2.98Å; W44-I89 PolarHBondContact NE1-O 2.63Å; W44-L92 HydrophobicContact CB-CD1 4.46Å; W44-L92 HydrophobicContact CD2-CD1 3.72Å; W44-L92 HydrophobicContact CG-CD1 3.68Å; W44-L92 HydrophobicContact CZ2-CD1 4.13Å; W44-L92 HydrophobicContact CZ2-CG 4.16Å; W44-F104 HydrophobicContact CE3-CB 4.25Å; W44-F104 HydrophobicContact CZ3-CB 4.08Å; W44-F105 CarbonylContact C-O 3.56Å; W44-F105 VanDerWaalsContact CA-O 3.28Å; W44-F105 WeakPolarHBondContact CA-O 3.13Å; W44-C106 HydrophobicContact CD2-CB 3.87Å; W44-C106 HydrophobicContact CE3-CB 3.88Å; W44-C106 HydrophobicContact CH2-CB 3.78Å; W44-C106 HydrophobicContact CZ2-CB 3.79Å; W44-C106 HydrophobicContact CZ3-CB 3.81Å
45A94.9Very high90.8Very high12 Ų1247.7 Ų47.710%0.09931%0.309CS..EExtended strand (participates in β ladder)trans-130.2155.6170.600000110.9R61 F104 F105A45-R61 CarbonylContact C-O 3.51Å; A45-R61 WeakPolarHBondContact CA-O 3.49Å; A45-R61 WeakPolarHBondContact CB-O 3.12Å; A45-F104 CarbonylContact O-C 3.6Å; A45-F104 WeakPolarHBondContact O-CA 3.47Å; A45-F105 HydrophobicContact CB-CB 4.35Å; A45-F105 PolarHBondContact N-O 3.26Å; A45-F105 PolarHBondContact O-N 3.36Å
46W95.7Very high90.6Very high2 Ų250.3 Ų50.31%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-127.4136.5177.3169.368.6000109.9P48 L56 R61 I63 H77 F78 D100 T103 F104W46-P48 HydrophobicContact CH2-CB 3.73Å; W46-P48 HydrophobicContact CH2-CG 4.19Å; W46-P48 HydrophobicContact CZ2-CB 3.51Å; W46-P48 HydrophobicContact CZ2-CG 4.33Å; W46-P48 HydrophobicContact CZ3-CB 4.38Å; W46-P48 HydrophobicContact CZ3-CG 4.39Å; W46-L56 HydrophobicContact CH2-CD1 4.38Å; W46-L56 HydrophobicContact CZ3-CD1 4.14Å; W46-R61 PolarHBondContact N-O 3.22Å; W46-R61 PolarHBondContact O-N 3.21Å; W46-I63 HydrophobicContact CB-CD1 4.36Å; W46-I63 HydrophobicContact CB-CG2 3.55Å; W46-H77 AromaticContact CH2-NE2 3.94Å; W46-F78 HydrophobicContact CB-CE2 4.22Å; W46-F78 HydrophobicContact CB-CZ 4.49Å; W46-F78 AromaticContact CD2-CE2 3.88Å; W46-F78 HydrophobicContact CD2-CE2 3.88Å; W46-F78 AromaticContact CD2-CZ 3.77Å; W46-F78 HydrophobicContact CD2-CZ 3.77Å; W46-F78 AromaticContact CE2-CZ 3.99Å; W46-F78 AromaticContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CZ 4.04Å; W46-F78 HydrophobicContact CG-CE2 4.11Å; W46-F78 AromaticContact CG-CZ 4Å; W46-F78 HydrophobicContact CG-CZ 4Å; W46-F78 HydrophobicContact CZ2-CZ 4.42Å; W46-F78 HydrophobicContact CZ3-CE2 4.35Å; W46-F78 HydrophobicContact CZ3-CZ 4.47Å; W46-D100 PolarHBondContact NE1-O 2.95Å; W46-D100 VanDerWaalsContact NE1-O 3.13Å; W46-T103 CarbonylContact C-O 3.58Å; W46-T103 WeakPolarHBondContact CA-O 3.25Å; W46-F104 HydrophobicContact CB-CD1 4.34Å; W46-F104 HydrophobicContact CB-CE1 4.22Å; W46-F104 AromaticContact CD1-CD2 4Å; W46-F104 AromaticContact CD1-CE1 3.84Å; W46-F104 AromaticContact CD1-CE2 3.51Å; W46-F104 AromaticContact CD1-CZ 3.43Å; W46-F104 VanDerWaalsContact CD1-CZ 3.43Å; W46-F104 HydrophobicContact CG-CE1 4.23Å; W46-F104 HydrophobicContact CG-CZ 4.18Å; W46-F104 AromaticContact NE1-CE2 3.91Å; W46-F104 AromaticContact NE1-CZ 3.88Å
47A95.6Very high90.6Very high20 Ų2050.2 Ų50.217%0.16533%0.33CS..EExtended strand (participates in β ladder)trans-116.9112.6167.200000108.5R60 G102 T103 F105A47-R60 HydrophobicContact CB-CG 4.26Å; A47-G102 CarbonylContact O-C 3.47Å; A47-G102 WeakPolarHBondContact O-CA 3.36Å; A47-T103 PolarHBondContact N-O 2.89Å; A47-T103 PolarHBondContact O-N 2.69Å; A47-F105 HydrophobicContact CB-CE2 3.73Å; A47-F105 HydrophobicContact CB-CZ 4.48Å
48P94.6Very high90.7Very high15 Ų1556.2 Ų56.210%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-62.3141.4176.624-33.7000111.1W46 F50 P51 L56W46-P48 HydrophobicContact CH2-CB 3.73Å; W46-P48 HydrophobicContact CH2-CG 4.19Å; W46-P48 HydrophobicContact CZ2-CB 3.51Å; W46-P48 HydrophobicContact CZ2-CG 4.33Å; W46-P48 HydrophobicContact CZ3-CB 4.38Å; W46-P48 HydrophobicContact CZ3-CG 4.39Å; P48-F50 VanDerWaalsContact C-N 3.29Å; P48-P51 HydrophobicContact CB-CB 4.46Å; P48-P51 HydrophobicContact CG-CB 3.75Å; P48-P51 HydrophobicContact CG-CG 4.48Å; P48-L56 HydrophobicContact CG-CD1 4.48Å
49S93.6Very high90.8Very high60 Ų6058 Ų5842%0.4236%0.356SS..SBendtrans-66.7-35.1169.4-63.10000111.3P51 S101 G102S49-P51 VanDerWaalsContact C-CD 3.48Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; S49-S101 PolarHBondContact N-O 2.8Å; S49-G102 WeakPolarHBondContact OG-CA 3.33Å; S49-G102 PolarHBondContact OG-N 3.17Å
50F92.8Very high91.2Very high66 Ų6659.9 Ų59.929%0.28935%0.349SS..  trans-125.467.2-176.4-47.6-59.3000111.9P48 A52 C53 D123 A125P48-F50 VanDerWaalsContact C-N 3.29Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.09Å; F50-C53 HydrophobicContact CB-CB 4.46Å; F50-C53 PolarHBondContact O-N 3.11Å; F50-D123 HydrophobicContact CD2-CB 4.14Å; F50-D123 HydrophobicContact CE2-CB 3.94Å; F50-A125 VanDerWaalsContact CD1-CA 3.43Å; F50-A125 HydrophobicContact CD1-CB 3.78Å; F50-A125 HydrophobicContact CE1-CB 3.66Å
51P90.7Very high91.4Very high20 Ų2056.5 Ų56.513%0.1333%0.328CS..G310 helixtrans-59.6-37.5-174.619.1-29.1000113.3P48 S49 C53 K54 G55 L56 S57 K58P48-P51 HydrophobicContact CB-CB 4.46Å; P48-P51 HydrophobicContact CG-CB 3.75Å; P48-P51 HydrophobicContact CG-CG 4.48Å; S49-P51 VanDerWaalsContact C-CD 3.48Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-C53 PolarHBondContact O-N 3.07Å; P51-K54 PolarHBondContact O-N 3.17Å; P51-G55 PolarHBondContact O-N 2.95Å; P51-L56 CarbonylContact C-O 3.56Å; P51-L56 HydrophobicContact CB-CB 4.16Å; P51-L56 WeakPolarHBondContact CB-O 3.3Å; P51-L56 WeakPolarHBondContact O-CB 3.03Å; P51-L56 PolarHBondContact O-N 2.88Å; P51-S57 WeakPolarHBondContact CB-O 3.1Å; P51-K58 HydrophobicContact CG-CG 4.06Å
52A89.9Confident91.4Very high77 Ų7758.3 Ų58.364%0.63634%0.34SS*.G310 helixtrans-60-34.6-178.600000112.5F50 K54 G55F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.09Å; A52-K54 PolarHBondContact O-N 3.38Å; A52-G55 PolarHBondContact O-N 2.78Å
53C86.9Confident91.5Very high52 Ų5256.4 Ų56.435%0.35133%0.328SS..G310 helixtrans-70.1-14.9-179.9-56.80000113.6F50 P51 C127F50-C53 HydrophobicContact CB-CB 4.46Å; F50-C53 PolarHBondContact O-N 3.11Å; P51-C53 PolarHBondContact O-N 3.07Å; C53-C127 WeakPolarHBondContact CA-SG 3.47Å; C53-C127 HydrophobicContact CB-CB 3.69Å; C53-C127 WeakPolarHBondContact CB-SG 3.26Å; C53-C127 PolarHBondContact N-SG 3.45Å; C53-C127 WeakPolarHBondContact SG-CA 3.28Å; C53-C127 WeakPolarHBondContact SG-CB 3.41Å; C53-C127 CovalentContact SG-SG 2.04Å; C53-C127 PolarHBondContact SG-SG 3.44Å
54K84.6Confident91.5Very high85 Ų8552.4 Ų52.437%0.3731%0.313SS..G310 helixtrans-106.47.1174.7-63.2-70.4-175.5177.50112.2P51 A52 L56 A98 G99P51-K54 PolarHBondContact O-N 3.17Å; A52-K54 PolarHBondContact O-N 3.38Å; K54-L56 HydrophobicContact CB-CD1 3.75Å; K54-L56 HydrophobicContact CB-CG 3.79Å; K54-L56 PolarHBondContact O-N 2.83Å; K54-A98 PolarHBondContact NZ-O 3.27Å; K54-G99 VanDerWaalsContact CE-CA 3.47Å; K54-G99 WeakPolarHBondContact CE-O 3.06Å
55G87.9Confident91.3Very high74 Ų7457.9 Ų57.976%0.76333%0.334SS*.THydrogen-bonded Turntrans66.624.9-173.800000113.4P51 A52P51-G55 PolarHBondContact O-N 2.95Å; A52-G55 PolarHBondContact O-N 2.78Å
56L87.4Confident90.8Very high60 Ų6059.8 Ų59.831%0.31435%0.35SS..PPolyproline II helixtrans-103.1151-176.6-57.4174.7000111.5W46 P48 P51 K54W46-L56 HydrophobicContact CH2-CD1 4.38Å; W46-L56 HydrophobicContact CZ3-CD1 4.14Å; P48-L56 HydrophobicContact CG-CD1 4.48Å; P51-L56 CarbonylContact C-O 3.56Å; P51-L56 HydrophobicContact CB-CB 4.16Å; P51-L56 WeakPolarHBondContact CB-O 3.3Å; P51-L56 WeakPolarHBondContact O-CB 3.03Å; P51-L56 PolarHBondContact O-N 2.88Å; K54-L56 HydrophobicContact CB-CD1 3.75Å; K54-L56 HydrophobicContact CB-CG 3.79Å; K54-L56 PolarHBondContact O-N 2.83Å
57S89.3Confident89.9Confident86 Ų8662 Ų6260%0.60137%0.366SS*.PPolyproline II helixtrans-72.3163.3169.156.70000111.7P51 R61P51-S57 WeakPolarHBondContact CB-O 3.1Å; S57-R61 PolarHBondContact O-NH1 2.9Å; S57-R61 PolarHBondContact O-NH2 2.84Å; S57-R61 PolarHBondContact OG-NH1 2.85Å
58K89.8Confident88.4Confident194 Ų19467.4 Ų67.484%0.84340%0.402SS*.SBendtrans-67.1144.6170.6-68.4-177.8-179.7179.60110.6P51P51-K58 HydrophobicContact CG-CG 4.06Å
59G91.1Very high86.8Confident41 Ų4172 Ų7242%0.42344%0.435SS..SBendtrans139.5172.917200000115
60R93.2Very high85.2Confident128 Ų12872.2 Ų72.248%0.48345%0.446SS..  trans-84.6140.1176.3-59.9179.2-178.6-164-3.9109.8A47 F105 E113A47-R60 HydrophobicContact CB-CG 4.26Å; R60-F105 HydrophobicContact CG-CD2 4.28Å; R60-F105 HydrophobicContact CG-CE2 4.01Å; R60-F105 VanDerWaalsContact NH2-CE1 3.27Å; R60-E113 IonicContact CZ-OE1 3.64Å; R60-E113 IonicContact CZ-OE2 3.7Å; R60-E113 IonicContact NH1-OE1 3.82Å; R60-E113 PolarHBondContact NH1-OE1 2.89Å; R60-E113 IonicContact NH1-OE2 3.28Å; R60-E113 PolarHBondContact NH1-OE2 2.77Å; R60-E113 IonicContact NH2-OE1 3.89Å; R60-E113 PolarHBondContact NH2-OE1 3.37Å
61R92.2Very high83.9Confident40 Ų4074.4 Ų74.415%0.15147%0.465CS..EExtended strand (participates in β ladder)trans-127.9133178.4-57.5176.3-134.2-77-13.2109.8A45 W46 S57 I63A45-R61 CarbonylContact C-O 3.51Å; A45-R61 WeakPolarHBondContact CA-O 3.49Å; A45-R61 WeakPolarHBondContact CB-O 3.12Å; W46-R61 PolarHBondContact N-O 3.22Å; W46-R61 PolarHBondContact O-N 3.21Å; S57-R61 PolarHBondContact O-NH1 2.9Å; S57-R61 PolarHBondContact O-NH2 2.84Å; S57-R61 PolarHBondContact OG-NH1 2.85Å; R61-I63 PolarHBondContact O-N 2.03Å
62P91.9Very high82.9Confident62 Ų6275.4 Ų75.440%0.40347%0.472SS..EExtended strand (participates in β ladder)trans-64.3133.6174.228.1-32.6000109.6W65P62-W65 HydrophobicContact CB-CZ2 3.71Å; P62-W65 HydrophobicContact CG-CZ2 4.21Å
63I93.6Very high82.1Confident2 Ų276.7 Ų76.71%0.0147%0.472CS..EExtended strand (participates in β ladder)trans-114.3-28179.262.3169.6000112.8W44 W46 R61 V74 L75 F78 L82 F104W44-I63 HydrophobicContact CB-CD1 3.93Å; W44-I63 HydrophobicContact CB-CG1 3.59Å; W44-I63 WeakPolarHBondContact O-CG1 3.44Å; W44-I63 PolarHBondContact O-N 2.79Å; W46-I63 HydrophobicContact CB-CD1 4.36Å; W46-I63 HydrophobicContact CB-CG2 3.55Å; R61-I63 PolarHBondContact O-N 2.03Å; I63-V74 CarbonylContact O-C 3.55Å; I63-V74 WeakPolarHBondContact O-CA 3.4Å; I63-L75 HydrophobicContact CG2-CD2 4.29Å; I63-L75 PolarHBondContact O-N 2.74Å; I63-F78 HydrophobicContact CB-CD2 4.03Å; I63-F78 HydrophobicContact CB-CE2 4.32Å; I63-F78 HydrophobicContact CG2-CD2 3.7Å; I63-F78 HydrophobicContact CG2-CE2 3.56Å; I63-L82 HydrophobicContact CD1-CD2 4.22Å; I63-F104 HydrophobicContact CD1-CD1 3.75Å; I63-F104 HydrophobicContact CD1-CE1 3.83Å
64L91.9Very high81.9Confident5 Ų576.6 Ų76.63%0.02647%0.47CS..EExtended strand (participates in β ladder)trans-151.3136-177.1-165.672.6000109.9R43 W44 P72 T73 V74 I89 L92R43-L64 CarbonylContact C-O 3.58Å; R43-L64 VanDerWaalsContact CA-O 3.26Å; R43-L64 WeakPolarHBondContact CA-O 3.34Å; W44-L64 HydrophobicContact CB-CB 4.09Å; W44-L64 PolarHBondContact N-O 3.27Å; W44-L64 PolarHBondContact O-N 2.98Å; L64-P72 HydrophobicContact CD1-CB 3.66Å; L64-P72 HydrophobicContact CD1-CG 4.01Å; L64-P72 HydrophobicContact CG-CB 4.07Å; L64-T73 WeakPolarHBondContact CA-O 3.45Å; L64-V74 HydrophobicContact CD1-CB 4.39Å; L64-V74 HydrophobicContact CD1-CG2 3.6Å; L64-I89 HydrophobicContact CD2-CB 4.01Å; L64-I89 HydrophobicContact CD2-CG2 3.56Å; L64-I89 HydrophobicContact CG-CG2 4.2Å; L64-L92 HydrophobicContact CD2-CD1 3.81Å; L64-L92 HydrophobicContact CD2-CD2 3.58Å; L64-L92 HydrophobicContact CD2-CG 4.37Å
65W88.8Confident81.8Confident115 Ų11575.9 Ų75.944%0.43647%0.469SS..EExtended strand (participates in β ladder)trans-114.7141.6171.1-62.892.3000110.3R43 P62 S67 P72 T73R43-W65 HydrophobicContact CB-CD2 4.1Å; R43-W65 HydrophobicContact CB-CE3 3.6Å; R43-W65 HydrophobicContact CB-CZ3 3.86Å; R43-W65 VanDerWaalsContact CD-CZ3 3.43Å; R43-W65 HydrophobicContact CG-CE3 4.46Å; R43-W65 HydrophobicContact CG-CZ3 4.23Å; P62-W65 HydrophobicContact CB-CZ2 3.71Å; P62-W65 HydrophobicContact CG-CZ2 4.21Å; W65-S67 PolarHBondContact O-N 3.48Å; W65-P72 WeakPolarHBondContact O-CA 3.38Å; W65-P72 WeakPolarHBondContact O-CB 3.23Å; W65-T73 PolarHBondContact N-O 3.28Å
66A85.1Confident81.6Confident51 Ų5180.8 Ų80.842%0.42147%0.472SS..  trans-65.7119.4168.400000108.7T42 I89T42-A66 PolarHBondContact O-N 3.4Å; A66-I89 HydrophobicContact CB-CD1 3.78Å; A66-I89 HydrophobicContact CB-CG1 4.1Å
67S77.1Confident81.7Confident50 Ų5080.8 Ų80.835%0.3547%0.47SS..  trans-95.5135.2172.7177.10000109.6W65 S69 T71W65-S67 PolarHBondContact O-N 3.48Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-OG 2.85Å; S67-T71 WeakPolarHBondContact CB-O 3.42Å; S67-T71 PolarHBondContact OG-O 2.88Å
68S65.1Low81.8Confident133 Ų13376.7 Ų76.793%0.9344%0.442SS*.SBendtrans-78.5-16.8172.956.30000113.1
69S60.6Low81.8Confident111 Ų11171.2 Ų71.278%0.77643%0.428SS*.SBendtrans-11311.6-170.959.60000114.9S67S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-OG 2.85Å
70G60.2Low81.8Confident64 Ų6473.3 Ų73.366%0.6645%0.449SS*.SBendtrans1111.5158.400000117.5
71T64Low81.8Confident112 Ų11269.5 Ų69.569%0.68744%0.435SS*.  trans-143.8115.9168.5-41.30000111.2S67S67-T71 WeakPolarHBondContact CB-O 3.42Å; S67-T71 PolarHBondContact OG-O 2.88Å
72P69.4Low81.9Confident42 Ų4268.5 Ų68.527%0.27343%0.433SS..PPolyproline II helixtrans-74.3135-179.931-34.2000110.7L64 W65 V74 I89L64-P72 HydrophobicContact CD1-CB 3.66Å; L64-P72 HydrophobicContact CD1-CG 4.01Å; L64-P72 HydrophobicContact CG-CB 4.07Å; W65-P72 WeakPolarHBondContact O-CA 3.38Å; W65-P72 WeakPolarHBondContact O-CB 3.23Å; P72-V74 PolarHBondContact O-N 3.36Å; P72-I89 HydrophobicContact CB-CG2 4.47Å
73T74.9Confident81.9Confident104 Ų10472.5 Ų72.564%0.63844%0.44SS*.PPolyproline II helixtrans-74.9119.4179.6-510000110.3L64 W65L64-T73 WeakPolarHBondContact CA-O 3.45Å; W65-T73 PolarHBondContact N-O 3.28Å
74V81.3Confident81.7Confident50 Ų5074 Ų7430%0.30345%0.451SS..BIsolated β-bridgetrans-101.5137.2-179.5-168.50000110.5I63 L64 P72 F78 L82I63-V74 CarbonylContact O-C 3.55Å; I63-V74 WeakPolarHBondContact O-CA 3.4Å; L64-V74 HydrophobicContact CD1-CB 4.39Å; L64-V74 HydrophobicContact CD1-CG2 3.6Å; P72-V74 PolarHBondContact O-N 3.36Å; V74-F78 HydrophobicContact CG1-CB 4.03Å; V74-L82 HydrophobicContact CG1-CB 4.47Å; V74-L82 HydrophobicContact CG1-CD2 4.28Å
75L82.1Confident81.7Confident69 Ų6976.6 Ų76.636%0.36146%0.464SS..PPolyproline II helixtrans-64139.7171.2-17472.2000110.9I63 H77 F78 S79I63-L75 HydrophobicContact CG2-CD2 4.29Å; I63-L75 PolarHBondContact O-N 2.74Å; L75-H77 HydrophobicContact CD2-CB 4.41Å; L75-H77 PolarHBondContact O-N 2.83Å; L75-F78 PolarHBondContact O-N 2.75Å; L75-S79 PolarHBondContact O-N 2.68Å
76Q83.9Confident81.6Confident178 Ų17872.9 Ų72.983%0.83245%0.453SS*.G310 helixtrans-49.4-36.8-175.6-170.9173.5-100114.3F78 S79Q76-F78 PolarHBondContact O-N 3.06Å; Q76-S79 WeakPolarHBondContact O-CB 3.38Å; Q76-S79 PolarHBondContact O-N 3.46Å
77H89.3Confident81.4Confident59 Ų5978.2 Ų78.227%0.27348%0.48SS..G310 helixtrans-58-31.2178.3-177.584.1000114.1W46 L75 R81 D100W46-H77 AromaticContact CH2-NE2 3.94Å; L75-H77 HydrophobicContact CD2-CB 4.41Å; L75-H77 PolarHBondContact O-N 2.83Å; H77-R81 PolarHBondContact O-NH2 2.93Å; H77-D100 IonicContact CD2-OD1 3.24Å; H77-D100 IonicContact CE1-OD1 2.88Å; H77-D100 IonicContact NE2-OD1 3.5Å; H77-D100 PolarHBondContact NE2-OD1 2.82Å
78F92.9Very high81.8Confident0 Ų077.6 Ų77.60%048%0.482CS..G310 helixtrans-109.13.8-178.1-65.8-68.9000113.3W46 I63 V74 L75 Q76 G80 R81 L82 L94 D100 F104W46-F78 HydrophobicContact CB-CE2 4.22Å; W46-F78 HydrophobicContact CB-CZ 4.49Å; W46-F78 AromaticContact CD2-CE2 3.88Å; W46-F78 HydrophobicContact CD2-CE2 3.88Å; W46-F78 AromaticContact CD2-CZ 3.77Å; W46-F78 HydrophobicContact CD2-CZ 3.77Å; W46-F78 AromaticContact CE2-CZ 3.99Å; W46-F78 AromaticContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CZ 4.04Å; W46-F78 HydrophobicContact CG-CE2 4.11Å; W46-F78 AromaticContact CG-CZ 4Å; W46-F78 HydrophobicContact CG-CZ 4Å; W46-F78 HydrophobicContact CZ2-CZ 4.42Å; W46-F78 HydrophobicContact CZ3-CE2 4.35Å; W46-F78 HydrophobicContact CZ3-CZ 4.47Å; I63-F78 HydrophobicContact CB-CD2 4.03Å; I63-F78 HydrophobicContact CB-CE2 4.32Å; I63-F78 HydrophobicContact CG2-CD2 3.7Å; I63-F78 HydrophobicContact CG2-CE2 3.56Å; V74-F78 HydrophobicContact CG1-CB 4.03Å; L75-F78 PolarHBondContact O-N 2.75Å; Q76-F78 PolarHBondContact O-N 3.06Å; F78-G80 PolarHBondContact O-N 2.78Å; F78-R81 PolarHBondContact O-N 2.72Å; F78-R81 VanDerWaalsContact O-N 3.09Å; F78-L82 HydrophobicContact CB-CB 4.02Å; F78-L82 HydrophobicContact CB-CD2 4.4Å; F78-L82 PolarHBondContact O-N 2.89Å; F78-L82 VanDerWaalsContact O-N 3.11Å; F78-L94 HydrophobicContact CD1-CD1 3.67Å; F78-L94 HydrophobicContact CD1-CD2 4.47Å; F78-L94 HydrophobicContact CE1-CD1 4.13Å; F78-L94 HydrophobicContact CE1-CD2 4.12Å; F78-D100 HydrophobicContact CE1-CB 4.48Å; F78-F104 HydrophobicContact CE1-CE1 4.36Å; F78-F104 HydrophobicContact CE1-CZ 4.22Å; F78-F104 HydrophobicContact CZ-CE1 4.05Å; F78-F104 HydrophobicContact CZ-CZ 4Å
79S89.1Confident83Confident80 Ų8071.5 Ų71.556%0.55944%0.439SS*.THydrogen-bonded Turntrans-58.9132.1-178.3-167.50000111.1L75 Q76 R81L75-S79 PolarHBondContact O-N 2.68Å; Q76-S79 WeakPolarHBondContact O-CB 3.38Å; Q76-S79 PolarHBondContact O-N 3.46Å; S79-R81 PolarHBondContact O-N 3.33Å; S79-R81 VanDerWaalsContact O-N 3.17Å
80G90.4Very high84.4Confident84 Ų8470.9 Ų70.987%0.86642%0.423SS*.THydrogen-bonded Turntrans73.5-6.6-177.800000116F78F78-G80 PolarHBondContact O-N 2.78Å
81R94.9Very high86Confident48 Ų4874.5 Ų74.518%0.18142%0.416CS..THydrogen-bonded Turntrans-113.1-22.8-179.3-60-170.6-58.6120.1-8.8113.9H77 F78 S79 L94 L95 S97 D100H77-R81 PolarHBondContact O-NH2 2.93Å; F78-R81 PolarHBondContact O-N 2.72Å; F78-R81 VanDerWaalsContact O-N 3.09Å; S79-R81 PolarHBondContact O-N 3.33Å; S79-R81 VanDerWaalsContact O-N 3.17Å; R81-L94 HydrophobicContact CB-CD1 4.39Å; R81-L95 HydrophobicContact CB-CB 4.19Å; R81-L95 PolarHBondContact NH1-O 3.13Å; R81-L95 PolarHBondContact O-N 3.31Å; R81-S97 VanDerWaalsContact CZ-OG 3.31Å; R81-S97 PolarHBondContact NH1-OG 3.11Å; R81-S97 PolarHBondContact NH2-OG 3.29Å; R81-D100 IonicContact CZ-OD1 3.7Å; R81-D100 IonicContact CZ-OD2 2.74Å; R81-D100 IonicContact NH1-OD1 2.68Å; R81-D100 IonicContact NH1-OD2 2.83Å; R81-D100 PolarHBondContact NH1-OD2 2.74Å; R81-D100 IonicContact NH2-OD1 3.29Å; R81-D100 PolarHBondContact NH2-OD1 3.04Å; R81-D100 VanDerWaalsContact NH2-OD1 3.11Å; R81-D100 IonicContact NH2-OD2 3.64Å; R81-D100 PolarHBondContact NH2-OD2 2.93Å
82L93.8Very high87.4Confident19 Ų1969.1 Ų69.110%0.09938%0.383CS..EExtended strand (participates in β ladder)trans-101.4124.8177-172.372000109.9I63 V74 F78 L92 E93 L94I63-L82 HydrophobicContact CD1-CD2 4.22Å; V74-L82 HydrophobicContact CG1-CB 4.47Å; V74-L82 HydrophobicContact CG1-CD2 4.28Å; F78-L82 HydrophobicContact CB-CB 4.02Å; F78-L82 HydrophobicContact CB-CD2 4.4Å; F78-L82 PolarHBondContact O-N 2.89Å; F78-L82 VanDerWaalsContact O-N 3.11Å; L82-L92 HydrophobicContact CD1-CB 4.04Å; L82-L92 HydrophobicContact CD1-CD1 4.09Å; L82-L92 HydrophobicContact CD2-CD1 4.25Å; L82-L92 HydrophobicContact CG-CD1 4.41Å; L82-E93 CarbonylContact C-O 3.41Å; L82-E93 WeakPolarHBondContact CA-O 3.41Å; L82-L94 HydrophobicContact CB-CD1 4.3Å; L82-L94 HydrophobicContact CD1-CB 3.91Å; L82-L94 HydrophobicContact CD1-CD1 4.06Å; L82-L94 HydrophobicContact CD1-CG 4.47Å
83R91.4Very high88.6Confident146 Ų14668.7 Ų68.755%0.55138%0.378SS*.EExtended strand (participates in β ladder)trans-126.3139.6-178.6-168.8176.386.9116.6-2.1110.1L85 L92 E93R83-L85 VanDerWaalsContact NH2-CD2 3.25Å; R83-L92 CarbonylContact O-C 3.59Å; R83-L92 VanDerWaalsContact O-CA 3.32Å; R83-L92 WeakPolarHBondContact O-CA 3.3Å; R83-E93 PolarHBondContact N-O 3.29Å; R83-E93 IonicContact NE-OE2 3.87Å; R83-E93 PolarHBondContact O-N 3.24Å
84S90.5Very high89.6Confident35 Ų3563.8 Ų63.825%0.24535%0.347CS..EExtended strand (participates in β ladder)trans-80.1135.9167.2-167.20000110.6D86 G88 R91S84-D86 PolarHBondContact OG-O 3.13Å; S84-G88 WeakPolarHBondContact CB-O 3.41Å; S84-G88 PolarHBondContact OG-O 3.07Å; S84-R91 PolarHBondContact OG-O 3.03Å
85L90.7Very high90.4Very high58 Ų5863.7 Ų63.730%0.30435%0.345SS..SBendtrans-96.9-6.9177.9-66.3-177.9000113N32 R83 R91 E93N32-L85 WeakPolarHBondContact OD1-CD1 3.14Å; R83-L85 VanDerWaalsContact NH2-CD2 3.25Å; L85-R91 HydrophobicContact CB-CB 4.12Å; L85-R91 PolarHBondContact N-O 2.9Å; L85-E93 HydrophobicContact CD1-CB 4.01Å; L85-E93 HydrophobicContact CD2-CB 3.82Å; L85-E93 HydrophobicContact CG-CB 3.86Å
86D86.7Confident91Very high37 Ų3760.7 Ų60.720%0.19833%0.329CS..SBendtrans-127.8178.6177.155.945.5000112.2S84 G88 I89 K90 R91S84-D86 PolarHBondContact OG-O 3.13Å; D86-G88 PolarHBondContact O-N 3.4Å; D86-G88 VanDerWaalsContact O-N 3.14Å; D86-G88 VanDerWaalsContact OD1-CA 3.32Å; D86-G88 WeakPolarHBondContact OD1-CA 3.42Å; D86-G88 PolarHBondContact OD1-N 2.91Å; D86-I89 PolarHBondContact OD1-N 2.9Å; D86-K90 PolarHBondContact OD1-N 2.75Å; D86-K90 VanDerWaalsContact OD1-N 3.15Å; D86-K90 WeakPolarHBondContact OD2-CA 3.49Å; D86-K90 VanDerWaalsContact OD2-CB 3.25Å; D86-K90 WeakPolarHBondContact OD2-CB 3.26Å; D86-K90 PolarHBondContact OD2-N 3.05Å; D86-R91 WeakPolarHBondContact OD2-CB 3.48Å; D86-R91 PolarHBondContact OD2-N 3.37Å; D86-R91 IonicContact OD2-NE 3.11Å
87T80.4Confident91.5Very high163 Ų16353.8 Ų53.8100%130%0.301SS*.SBendtrans-66.7-5.917750.60000113.2
88G85.8Confident91.7Very high38 Ų3853.6 Ų53.639%0.39231%0.31SS..SBendtrans-127.7-133.8177.800000111.2S84 D86S84-G88 WeakPolarHBondContact CB-O 3.41Å; S84-G88 PolarHBondContact OG-O 3.07Å; D86-G88 PolarHBondContact O-N 3.4Å; D86-G88 VanDerWaalsContact O-N 3.14Å; D86-G88 VanDerWaalsContact OD1-CA 3.32Å; D86-G88 WeakPolarHBondContact OD1-CA 3.42Å; D86-G88 PolarHBondContact OD1-N 2.91Å
89I90.3Very high91.6Very high5 Ų554.3 Ų54.33%0.02632%0.317CS..SBendtrans-129.525.8177.160.5162.9000110.9C35 P41 W44 L64 A66 P72 D86 L92C35-I89 PolarHBondContact SG-O 3.27Å; P41-I89 HydrophobicContact CB-CD1 4.12Å; P41-I89 HydrophobicContact CB-CG1 3.91Å; P41-I89 HydrophobicContact CG-CG1 3.87Å; W44-I89 PolarHBondContact NE1-O 2.63Å; L64-I89 HydrophobicContact CD2-CB 4.01Å; L64-I89 HydrophobicContact CD2-CG2 3.56Å; L64-I89 HydrophobicContact CG-CG2 4.2Å; A66-I89 HydrophobicContact CB-CD1 3.78Å; A66-I89 HydrophobicContact CB-CG1 4.1Å; P72-I89 HydrophobicContact CB-CG2 4.47Å; D86-I89 PolarHBondContact OD1-N 2.9Å; I89-L92 HydrophobicContact CB-CD2 4.42Å
90K91Very high91.8Very high98 Ų9850.5 Ų50.543%0.42629%0.29SS..SBendtrans-79.6-31.4-173.9-168.4-179.7-175.2169.60111.3C35 P41 D86C35-K90 HydrophobicContact CB-CG 3.91Å; C35-K90 WeakPolarHBondContact CB-O 3.24Å; C35-K90 PolarHBondContact N-O 2.86Å; P41-K90 HydrophobicContact CG-CB 4.12Å; D86-K90 PolarHBondContact OD1-N 2.75Å; D86-K90 VanDerWaalsContact OD1-N 3.15Å; D86-K90 WeakPolarHBondContact OD2-CA 3.49Å; D86-K90 VanDerWaalsContact OD2-CB 3.25Å; D86-K90 WeakPolarHBondContact OD2-CB 3.26Å; D86-K90 PolarHBondContact OD2-N 3.05Å
91R92.4Very high92Very high139 Ų13946.9 Ų46.953%0.52525%0.251SS..EExtended strand (participates in β ladder)trans-127.2124.9174.5-68.2177.7-71.3169.4-2.9110.2L33 S84 L85 D86L33-R91 CarbonylContact O-C 3.5Å; L33-R91 VanDerWaalsContact O-CA 3.3Å; L33-R91 WeakPolarHBondContact O-CA 3.44Å; S84-R91 PolarHBondContact OG-O 3.03Å; L85-R91 HydrophobicContact CB-CB 4.12Å; L85-R91 PolarHBondContact N-O 2.9Å; D86-R91 WeakPolarHBondContact OD2-CB 3.48Å; D86-R91 PolarHBondContact OD2-N 3.37Å; D86-R91 IonicContact OD2-NE 3.11Å
92L93.5Very high92.1Very high0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-117.6146.7176.8-52.2-179.1000110N32 L33 W44 L64 L82 R83 I89N32-L92 CarbonylContact C-O 3.52Å; N32-L92 WeakPolarHBondContact CA-O 3.13Å; L33-L92 HydrophobicContact CB-CB 4.28Å; L33-L92 PolarHBondContact N-O 3.29Å; L33-L92 PolarHBondContact O-N 2.68Å; W44-L92 HydrophobicContact CB-CD1 4.46Å; W44-L92 HydrophobicContact CD2-CD1 3.72Å; W44-L92 HydrophobicContact CG-CD1 3.68Å; W44-L92 HydrophobicContact CZ2-CD1 4.13Å; W44-L92 HydrophobicContact CZ2-CG 4.16Å; L64-L92 HydrophobicContact CD2-CD1 3.81Å; L64-L92 HydrophobicContact CD2-CD2 3.58Å; L64-L92 HydrophobicContact CD2-CG 4.37Å; L82-L92 HydrophobicContact CD1-CB 4.04Å; L82-L92 HydrophobicContact CD1-CD1 4.09Å; L82-L92 HydrophobicContact CD2-CD1 4.25Å; L82-L92 HydrophobicContact CG-CD1 4.41Å; R83-L92 CarbonylContact O-C 3.59Å; R83-L92 VanDerWaalsContact O-CA 3.32Å; R83-L92 WeakPolarHBondContact O-CA 3.3Å; I89-L92 HydrophobicContact CB-CD2 4.42Å
93E95.3Very high92.2Very high33 Ų3345.3 Ų45.315%0.15425%0.248CC..EExtended strand (participates in β ladder)trans-107.5129.2166.6-176.4-176.8-98.300108.2R30 V31 L82 R83 L85R30-E93 HydrophobicContact CB-CG 4.27Å; R30-E93 IonicContact CZ-OE2 2.74Å; R30-E93 IonicContact NH1-OE2 3.8Å; R30-E93 PolarHBondContact NH1-OE2 3.49Å; V31-E93 WeakPolarHBondContact O-CA 3.44Å; L82-E93 CarbonylContact C-O 3.41Å; L82-E93 WeakPolarHBondContact CA-O 3.41Å; R83-E93 PolarHBondContact N-O 3.29Å; R83-E93 IonicContact NE-OE2 3.87Å; R83-E93 PolarHBondContact O-N 3.24Å; L85-E93 HydrophobicContact CD1-CB 4.01Å; L85-E93 HydrophobicContact CD2-CB 3.82Å; L85-E93 HydrophobicContact CG-CB 3.86Å
94L96.3Very high92.4Very high0 Ų038.3 Ų38.30%022%0.222CC..EExtended strand (participates in β ladder)trans-119.7125.7176.3175.661.7000109.6R30 V31 L33 F78 R81 L82 L96 F104 I118R30-L94 WeakPolarHBondContact CA-O 3.26Å; V31-L94 HydrophobicContact CG2-CB 4.15Å; V31-L94 PolarHBondContact N-O 3.24Å; V31-L94 PolarHBondContact O-N 2.88Å; L33-L94 HydrophobicContact CD1-CB 4.48Å; F78-L94 HydrophobicContact CD1-CD1 3.67Å; F78-L94 HydrophobicContact CD1-CD2 4.47Å; F78-L94 HydrophobicContact CE1-CD1 4.13Å; F78-L94 HydrophobicContact CE1-CD2 4.12Å; R81-L94 HydrophobicContact CB-CD1 4.39Å; L82-L94 HydrophobicContact CB-CD1 4.3Å; L82-L94 HydrophobicContact CD1-CB 3.91Å; L82-L94 HydrophobicContact CD1-CD1 4.06Å; L82-L94 HydrophobicContact CD1-CG 4.47Å; L94-L96 HydrophobicContact CD2-CD2 4.05Å; L94-L96 HydrophobicContact CG-CD2 4.3Å; L94-L96 PolarHBondContact O-N 2.8Å; L94-F104 HydrophobicContact CD2-CE1 4.07Å; L94-F104 HydrophobicContact CD2-CZ 3.74Å; L94-I118 HydrophobicContact CD2-CD1 4.21Å
95L97Very high92.6Very high49 Ų4937.3 Ų37.326%0.25721%0.213SC..EExtended strand (participates in β ladder)trans-78.4110.9164.5-178.669.6000109.3G28 R30 R81G28-L95 WeakPolarHBondContact O-CD1 3.44Å; R30-L95 HydrophobicContact CG-CD1 3.91Å; R81-L95 HydrophobicContact CB-CB 4.19Å; R81-L95 PolarHBondContact NH1-O 3.13Å; R81-L95 PolarHBondContact O-N 3.31Å
96L96.2Very high92.7Very high5 Ų534.6 Ų34.63%0.02620%0.199CC..  trans-66.5141.8-175.4-67.1-176000112.4N26 G28 D29 V31 L94 I118 V120N26-L96 WeakPolarHBondContact O-CB 3.45Å; G28-L96 PolarHBondContact N-O 2.69Å; D29-L96 HydrophobicContact CB-CD1 4.34Å; D29-L96 PolarHBondContact O-N 3.28Å; V31-L96 HydrophobicContact CG1-CD1 3.65Å; V31-L96 HydrophobicContact CG1-CG 4.04Å; V31-L96 HydrophobicContact CG2-CD1 4.31Å; V31-L96 HydrophobicContact CG2-CD2 3.65Å; V31-L96 HydrophobicContact CG2-CG 3.92Å; L94-L96 HydrophobicContact CD2-CD2 4.05Å; L94-L96 HydrophobicContact CG-CD2 4.3Å; L94-L96 PolarHBondContact O-N 2.8Å; L96-I118 HydrophobicContact CD1-CG2 4.45Å; L96-I118 HydrophobicContact CD2-CD1 4.38Å; L96-I118 HydrophobicContact CD2-CG2 3.84Å; L96-V120 HydrophobicContact CD1-CG2 4.37Å; L96-V120 HydrophobicContact CD2-CG2 4.19Å
97S94.6Very high93Very high33 Ų3336.1 Ų36.123%0.23120%0.204CC..  trans-135.1162.4171.175.40000110.7R81 G99 D100R81-S97 VanDerWaalsContact CZ-OG 3.31Å; R81-S97 PolarHBondContact NH1-OG 3.11Å; R81-S97 PolarHBondContact NH2-OG 3.29Å; S97-G99 PolarHBondContact O-N 2.81Å; S97-D100 WeakPolarHBondContact CA-OD2 3.5Å; S97-D100 WeakPolarHBondContact CB-OD2 3.43Å; S97-D100 PolarHBondContact N-OD2 3.42Å; S97-D100 WeakPolarHBondContact O-CB 3.48Å; S97-D100 PolarHBondContact O-N 3.29Å; S97-D100 VanDerWaalsContact OG-CG 3.22Å; S97-D100 PolarHBondContact OG-OD1 2.73Å; S97-D100 PolarHBondContact OG-OD2 3.28Å
98A92.1Very high93.5Very high56 Ų5628.5 Ų28.546%0.46316%0.157SC..THydrogen-bonded Turntrans-57.9127.3175.200000111.1K54K54-A98 PolarHBondContact NZ-O 3.27Å
99G90.8Very high93.4Very high15 Ų1536.7 Ų36.716%0.15518%0.176CC..THydrogen-bonded Turntrans85.613.2-18000000114.9K54 S97 S101 D123K54-G99 VanDerWaalsContact CE-CA 3.47Å; K54-G99 WeakPolarHBondContact CE-O 3.06Å; S97-G99 PolarHBondContact O-N 2.81Å; G99-S101 VanDerWaalsContact C-N 3.27Å; G99-D123 WeakPolarHBondContact CA-OD1 3.47Å; G99-D123 WeakPolarHBondContact CA-OD2 3.07Å; G99-D123 PolarHBondContact N-OD1 2.84Å; G99-D123 PolarHBondContact N-OD2 3.28Å
100D94.5Very high92.8Very high0 Ų044 Ų440%021%0.211CC..  trans-80.9-9.2168.3-68.4-29000112.7W46 H77 F78 R81 S97 G102 V120W46-D100 PolarHBondContact NE1-O 2.95Å; W46-D100 VanDerWaalsContact NE1-O 3.13Å; H77-D100 IonicContact CD2-OD1 3.24Å; H77-D100 IonicContact CE1-OD1 2.88Å; H77-D100 IonicContact NE2-OD1 3.5Å; H77-D100 PolarHBondContact NE2-OD1 2.82Å; F78-D100 HydrophobicContact CE1-CB 4.48Å; R81-D100 IonicContact CZ-OD1 3.7Å; R81-D100 IonicContact CZ-OD2 2.74Å; R81-D100 IonicContact NH1-OD1 2.68Å; R81-D100 IonicContact NH1-OD2 2.83Å; R81-D100 PolarHBondContact NH1-OD2 2.74Å; R81-D100 IonicContact NH2-OD1 3.29Å; R81-D100 PolarHBondContact NH2-OD1 3.04Å; R81-D100 VanDerWaalsContact NH2-OD1 3.11Å; R81-D100 IonicContact NH2-OD2 3.64Å; R81-D100 PolarHBondContact NH2-OD2 2.93Å; S97-D100 WeakPolarHBondContact CA-OD2 3.5Å; S97-D100 WeakPolarHBondContact CB-OD2 3.43Å; S97-D100 PolarHBondContact N-OD2 3.42Å; S97-D100 WeakPolarHBondContact O-CB 3.48Å; S97-D100 PolarHBondContact O-N 3.29Å; S97-D100 VanDerWaalsContact OG-CG 3.22Å; S97-D100 PolarHBondContact OG-OD1 2.73Å; S97-D100 PolarHBondContact OG-OD2 3.28Å; D100-G102 PolarHBondContact O-N 3.18Å; D100-V120 HydrophobicContact CB-CG2 4.2Å
101S95.1Very high92.2Very high7 Ų747.6 Ų47.65%0.04923%0.229CC..  trans-50.8128.6177.3-65.10000111.5S49 G99 I118 V120 D123S49-S101 PolarHBondContact N-O 2.8Å; G99-S101 VanDerWaalsContact C-N 3.27Å; S101-I118 WeakPolarHBondContact CA-O 3.13Å; S101-V120 WeakPolarHBondContact OG-CB 3.42Å; S101-V120 PolarHBondContact OG-N 3.23Å; S101-D123 WeakPolarHBondContact CB-OD2 3.36Å; S101-D123 PolarHBondContact N-OD2 3.12Å; S101-D123 VanDerWaalsContact OG-CB 3.26Å; S101-D123 WeakPolarHBondContact OG-CB 3.37Å; S101-D123 VanDerWaalsContact OG-CG 3.28Å; S101-D123 PolarHBondContact OG-OD2 3.45Å
102G95.3Very high91.8Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans164.6-179.8-17300000113.4A47 S49 D100 I118A47-G102 CarbonylContact O-C 3.47Å; A47-G102 WeakPolarHBondContact O-CA 3.36Å; S49-G102 WeakPolarHBondContact OG-CA 3.33Å; S49-G102 PolarHBondContact OG-N 3.17Å; D100-G102 PolarHBondContact O-N 3.18Å; G102-I118 PolarHBondContact N-O 3.45Å; G102-I118 PolarHBondContact O-N 2.6Å
103T96.1Very high91.7Very high34 Ų3446.8 Ų46.821%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-100.4128176-45.10000109.8W46 A47 F105 R115 V117W46-T103 CarbonylContact C-O 3.58Å; W46-T103 WeakPolarHBondContact CA-O 3.25Å; A47-T103 PolarHBondContact N-O 2.89Å; A47-T103 PolarHBondContact O-N 2.69Å; T103-F105 HydrophobicContact CG2-CD1 4.3Å; T103-F105 HydrophobicContact CG2-CD2 4.36Å; T103-F105 HydrophobicContact CG2-CE1 3.65Å; T103-F105 HydrophobicContact CG2-CE2 3.71Å; T103-F105 HydrophobicContact CG2-CZ 3.31Å; T103-F105 WeakPolarHBondContact O-CD2 3.13Å; T103-F105 VanDerWaalsContact O-CE2 3.26Å; T103-F105 WeakPolarHBondContact O-CE2 3.43Å; T103-R115 HydrophobicContact CG2-CB 4.48Å; T103-V117 HydrophobicContact CG2-CG2 3.85Å
104F95.7Very high91.6Very high0 Ų045.4 Ų45.40%023%0.227CC..EExtended strand (participates in β ladder)trans-98.5133.8172.9-68.5-102000109.1L33 W44 A45 W46 I63 F78 L94 R115 T116 I118L33-F104 HydrophobicContact CD1-CB 4.48Å; L33-F104 HydrophobicContact CD1-CD1 3.71Å; L33-F104 HydrophobicContact CD1-CE1 4.09Å; L33-F104 HydrophobicContact CD1-CG 4.05Å; W44-F104 HydrophobicContact CE3-CB 4.25Å; W44-F104 HydrophobicContact CZ3-CB 4.08Å; A45-F104 CarbonylContact O-C 3.6Å; A45-F104 WeakPolarHBondContact O-CA 3.47Å; W46-F104 HydrophobicContact CB-CD1 4.34Å; W46-F104 HydrophobicContact CB-CE1 4.22Å; W46-F104 AromaticContact CD1-CD2 4Å; W46-F104 AromaticContact CD1-CE1 3.84Å; W46-F104 AromaticContact CD1-CE2 3.51Å; W46-F104 AromaticContact CD1-CZ 3.43Å; W46-F104 VanDerWaalsContact CD1-CZ 3.43Å; W46-F104 HydrophobicContact CG-CE1 4.23Å; W46-F104 HydrophobicContact CG-CZ 4.18Å; W46-F104 AromaticContact NE1-CE2 3.91Å; W46-F104 AromaticContact NE1-CZ 3.88Å; I63-F104 HydrophobicContact CD1-CD1 3.75Å; I63-F104 HydrophobicContact CD1-CE1 3.83Å; F78-F104 HydrophobicContact CE1-CE1 4.36Å; F78-F104 HydrophobicContact CE1-CZ 4.22Å; F78-F104 HydrophobicContact CZ-CE1 4.05Å; F78-F104 HydrophobicContact CZ-CZ 4Å; L94-F104 HydrophobicContact CD2-CE1 4.07Å; L94-F104 HydrophobicContact CD2-CZ 3.74Å; F104-R115 WeakPolarHBondContact O-CA 3.47Å; F104-T116 PolarHBondContact N-O 3.02Å; F104-T116 PolarHBondContact O-N 2.88Å; F104-I118 HydrophobicContact CD2-CB 4.4Å; F104-I118 HydrophobicContact CD2-CD1 3.49Å; F104-I118 VanDerWaalsContact CD2-CD1 3.49Å; F104-I118 HydrophobicContact CD2-CG1 3.75Å; F104-I118 HydrophobicContact CE2-CB 4.09Å; F104-I118 HydrophobicContact CE2-CD1 3.21Å; F104-I118 HydrophobicContact CE2-CG1 3.75Å; F104-I118 HydrophobicContact CG-CD1 4.35Å; F104-I118 HydrophobicContact CZ-CD1 3.86Å
105F94.7Very high91.5Very high14 Ų1450.2 Ų50.26%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-121.7118.7-176.1-57.1-88000108.8W44 A45 A47 R60 T103 E113 S114 R115W44-F105 CarbonylContact C-O 3.56Å; W44-F105 VanDerWaalsContact CA-O 3.28Å; W44-F105 WeakPolarHBondContact CA-O 3.13Å; A45-F105 HydrophobicContact CB-CB 4.35Å; A45-F105 PolarHBondContact N-O 3.26Å; A45-F105 PolarHBondContact O-N 3.36Å; A47-F105 HydrophobicContact CB-CE2 3.73Å; A47-F105 HydrophobicContact CB-CZ 4.48Å; R60-F105 HydrophobicContact CG-CD2 4.28Å; R60-F105 HydrophobicContact CG-CE2 4.01Å; R60-F105 VanDerWaalsContact NH2-CE1 3.27Å; T103-F105 HydrophobicContact CG2-CD1 4.3Å; T103-F105 HydrophobicContact CG2-CD2 4.36Å; T103-F105 HydrophobicContact CG2-CE1 3.65Å; T103-F105 HydrophobicContact CG2-CE2 3.71Å; T103-F105 HydrophobicContact CG2-CZ 3.31Å; T103-F105 WeakPolarHBondContact O-CD2 3.13Å; T103-F105 VanDerWaalsContact O-CE2 3.26Å; T103-F105 WeakPolarHBondContact O-CE2 3.43Å; F105-E113 HydrophobicContact CB-CG 4.43Å; F105-E113 HydrophobicContact CD1-CG 4.34Å; F105-E113 VanDerWaalsContact CD1-OE1 3.24Å; F105-E113 WeakPolarHBondContact CD1-OE1 3.04Å; F105-S114 WeakPolarHBondContact CA-O 3.27Å; F105-R115 HydrophobicContact CD1-CG 3.83Å; F105-R115 HydrophobicContact CE1-CG 3.99Å
106C93.8Very high91.4Very high0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans-97.7121168.3-179.50000109C35 P41 W44 E113 S114C35-C106 HydrophobicContact CB-CB 3.87Å; C35-C106 WeakPolarHBondContact CB-SG 3.38Å; C35-C106 WeakPolarHBondContact SG-CB 3.07Å; C35-C106 CovalentContact SG-SG 2.03Å; C35-C106 PolarHBondContact SG-SG 2.77Å; P41-C106 VanDerWaalsContact CB-SG 3.56Å; W44-C106 HydrophobicContact CD2-CB 3.87Å; W44-C106 HydrophobicContact CE3-CB 3.88Å; W44-C106 HydrophobicContact CH2-CB 3.78Å; W44-C106 HydrophobicContact CZ2-CB 3.79Å; W44-C106 HydrophobicContact CZ3-CB 3.81Å; C106-E113 CarbonylContact O-C 3.57Å; C106-E113 VanDerWaalsContact O-CA 3.23Å; C106-E113 WeakPolarHBondContact O-CA 3Å; C106-S114 VanDerWaalsContact CB-OG 3.3Å; C106-S114 WeakPolarHBondContact CB-OG 3.43Å; C106-S114 PolarHBondContact N-O 3.37Å; C106-S114 PolarHBondContact O-N 3.23Å
107K92.8Very high91.4Very high70 Ų7048.4 Ų48.430%0.30424%0.237SC..EExtended strand (participates in β ladder)trans-110.3127.1-179.3-173.6173.6-177.6175.90111.1T42 R43T42-K107 PolarHBondContact N-O 2.85Å; T42-K107 PolarHBondContact OG1-O 2.93Å; R43-K107 HydrophobicContact CG-CB 4.02Å; R43-K107 PolarHBondContact N-O 3.37Å; R43-K107 PolarHBondContact O-N 2.84Å
108G90Very high91.5Very high3 Ų346.9 Ų46.93%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-88.7-176.9171.300000113.8V38 D40 N112V38-G108 VanDerWaalsContact CG1-CA 3.45Å; D40-G108 VanDerWaalsContact O-CA 3.23Å; D40-G108 WeakPolarHBondContact O-CA 3.32Å; G108-N112 PolarHBondContact N-O 2.8Å
109R84.2Confident91.6Very high209 Ų20949 Ų4979%0.78923%0.227SC*.SBendtrans-66.8-38.9174.6-70.6-174175.3-167.3-0.6113.4D40 T42 E111D40-R109 PolarHBondContact O-N 2.88Å; T42-R109 HydrophobicContact CG2-CB 4.42Å; T42-R109 HydrophobicContact CG2-CG 3.45Å; T42-R109 VanDerWaalsContact CG2-CG 3.45Å; R109-E111 PolarHBondContact O-N 3.41Å
110Q78.6Confident91.9Very high160 Ų16048.6 Ų48.675%0.74822%0.221SC*.SBendtrans-100.451.8-169.7-66.5-159.6-1700114.7N112Q110-N112 PolarHBondContact O-N 2.04Å; Q110-N112 PolarHBondContact O-OD1 3.14Å; Q110-N112 VanDerWaalsContact O-OD1 3.07Å
111E77.1Confident91.9Very high173 Ų17352.3 Ų52.381%0.80824%0.24SC*.SBendtrans53.8-6-177.1-59.6-155.9159.100117.3R109 E113R109-E111 PolarHBondContact O-N 3.41Å; E111-E113 PolarHBondContact O-N 3.27Å
112N85.1Confident91.5Very high81 Ų8155 Ų5543%0.43327%0.268SS..  trans-64.8127173.8-59.9-14.6000108.9V38 G108 Q110V38-N112 HydrophobicContact CG2-CB 4.36Å; G108-N112 PolarHBondContact N-O 2.8Å; Q110-N112 PolarHBondContact O-N 2.04Å; Q110-N112 PolarHBondContact O-OD1 3.14Å; Q110-N112 VanDerWaalsContact O-OD1 3.07Å
113E90.9Very high91.3Very high41 Ų4156.5 Ų56.519%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-129.6134.7-178.7-180177105.700108.2N18 R60 F105 C106 E111 R115N18-E113 PolarHBondContact ND2-O 3.21Å; R60-E113 IonicContact CZ-OE1 3.64Å; R60-E113 IonicContact CZ-OE2 3.7Å; R60-E113 IonicContact NH1-OE1 3.82Å; R60-E113 PolarHBondContact NH1-OE1 2.89Å; R60-E113 IonicContact NH1-OE2 3.28Å; R60-E113 PolarHBondContact NH1-OE2 2.77Å; R60-E113 IonicContact NH2-OE1 3.89Å; R60-E113 PolarHBondContact NH2-OE1 3.37Å; F105-E113 HydrophobicContact CB-CG 4.43Å; F105-E113 HydrophobicContact CD1-CG 4.34Å; F105-E113 VanDerWaalsContact CD1-OE1 3.24Å; F105-E113 WeakPolarHBondContact CD1-OE1 3.04Å; C106-E113 CarbonylContact O-C 3.57Å; C106-E113 VanDerWaalsContact O-CA 3.23Å; C106-E113 WeakPolarHBondContact O-CA 3Å; E111-E113 PolarHBondContact O-N 3.27Å; E113-R115 HydrophobicContact CG-CG 4.45Å; E113-R115 IonicContact OE1-CZ 3.46Å; E113-R115 IonicContact OE1-NE 3.99Å; E113-R115 PolarHBondContact OE1-NE 2.86Å; E113-R115 IonicContact OE1-NH2 3.33Å; E113-R115 PolarHBondContact OE1-NH2 2.98Å
114S92.2Very high90.8Very high3 Ų362.3 Ų62.32%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-102.8148.6165.988.60000109.7C35 I36 F105 C106C35-S114 WeakPolarHBondContact CA-OG 3.23Å; I36-S114 WeakPolarHBondContact O-CB 3.21Å; F105-S114 WeakPolarHBondContact CA-O 3.27Å; C106-S114 VanDerWaalsContact CB-OG 3.3Å; C106-S114 WeakPolarHBondContact CB-OG 3.43Å; C106-S114 PolarHBondContact N-O 3.37Å; C106-S114 PolarHBondContact O-N 3.23Å
115R94Very high90.2Very high102 Ų10265.8 Ų65.839%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-126.1132.9-179-60.2-176-179.2167.56.6110.4V21 T103 F104 F105 E113V21-R115 PolarHBondContact N-O 3.28Å; T103-R115 HydrophobicContact CG2-CB 4.48Å; F104-R115 WeakPolarHBondContact O-CA 3.47Å; F105-R115 HydrophobicContact CD1-CG 3.83Å; F105-R115 HydrophobicContact CE1-CG 3.99Å; E113-R115 HydrophobicContact CG-CG 4.45Å; E113-R115 IonicContact OE1-CZ 3.46Å; E113-R115 IonicContact OE1-NE 3.99Å; E113-R115 PolarHBondContact OE1-NE 2.86Å; E113-R115 IonicContact OE1-NH2 3.33Å; E113-R115 PolarHBondContact OE1-NH2 2.98Å
116T95.5Very high89.6Confident2 Ų267.9 Ų67.91%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-133.6120.7174.9-53.80000108.4V21 L23 L33 F104V21-T116 HydrophobicContact CB-CG2 4.3Å; V21-T116 HydrophobicContact CG1-CG2 4.35Å; V21-T116 CarbonylContact O-C 3.58Å; V21-T116 VanDerWaalsContact O-CA 3.27Å; V21-T116 WeakPolarHBondContact O-CA 3.39Å; V21-T116 WeakPolarHBondContact O-CG2 3.42Å; L23-T116 HydrophobicContact CD1-CG2 3.7Å; L23-T116 HydrophobicContact CG-CG2 4.02Å; L33-T116 HydrophobicContact CD2-CG2 3.97Å; F104-T116 PolarHBondContact N-O 3.02Å; F104-T116 PolarHBondContact O-N 2.88Å
117V95.9Very high88.8Confident14 Ų1471 Ų719%0.08538%0.375CS..EExtended strand (participates in β ladder)trans-93.3132.6174.8173.30000109.1E20 V21 S22 L23 T103 Q119E20-V117 HydrophobicContact CG-CG2 3.85Å; E20-V117 WeakPolarHBondContact OE1-CG2 3.41Å; V21-V117 PolarHBondContact O-N 2.9Å; S22-V117 CarbonylContact C-O 3.45Å; S22-V117 WeakPolarHBondContact CA-O 3.44Å; L23-V117 PolarHBondContact N-O 3.11Å; T103-V117 HydrophobicContact CG2-CG2 3.85Å; V117-Q119 HydrophobicContact CG1-CG 4.31Å
118I96.3Very high87.6Confident0 Ų078.5 Ų78.50%040%0.401CS..EExtended strand (participates in β ladder)trans-114.7128.4173.7-56.5-179.4000108.3L23 V31 L33 L94 L96 S101 G102 F104 V120L23-I118 CarbonylContact O-C 3.51Å; L23-I118 WeakPolarHBondContact O-CA 3.48Å; V31-I118 HydrophobicContact CG2-CD1 4.15Å; L33-I118 HydrophobicContact CD1-CD1 4.48Å; L33-I118 HydrophobicContact CD2-CD1 3.55Å; L33-I118 HydrophobicContact CD2-CG1 4.18Å; L94-I118 HydrophobicContact CD2-CD1 4.21Å; L96-I118 HydrophobicContact CD1-CG2 4.45Å; L96-I118 HydrophobicContact CD2-CD1 4.38Å; L96-I118 HydrophobicContact CD2-CG2 3.84Å; S101-I118 WeakPolarHBondContact CA-O 3.13Å; G102-I118 PolarHBondContact N-O 3.45Å; G102-I118 PolarHBondContact O-N 2.6Å; F104-I118 HydrophobicContact CD2-CB 4.4Å; F104-I118 HydrophobicContact CD2-CD1 3.49Å; F104-I118 VanDerWaalsContact CD2-CD1 3.49Å; F104-I118 HydrophobicContact CD2-CG1 3.75Å; F104-I118 HydrophobicContact CE2-CB 4.09Å; F104-I118 HydrophobicContact CE2-CD1 3.21Å; F104-I118 HydrophobicContact CE2-CG1 3.75Å; F104-I118 HydrophobicContact CG-CD1 4.35Å; F104-I118 HydrophobicContact CZ-CD1 3.86Å; I118-V120 HydrophobicContact CG2-CG2 4.06Å
119Q95.8Very high86.2Confident102 Ų10283.6 Ų83.648%0.47743%0.433SS..EExtended strand (participates in β ladder)trans-111.2112.2170.2-60-174.133.300108.4L23 E24 G25 V117L23-Q119 PolarHBondContact O-N 3.29Å; E24-Q119 WeakPolarHBondContact CA-O 3.37Å; G25-Q119 PolarHBondContact N-O 3.12Å; G25-Q119 VanDerWaalsContact N-O 3.08Å; V117-Q119 HydrophobicContact CG1-CG 4.31Å
120V96.1Very high84.8Confident5 Ų579.2 Ų79.23%0.0344%0.435CS..EExtended strand (participates in β ladder)trans-91.2120.3174.5-174.30000108.2G25 P27 L96 D100 S101 I118 G122 D123G25-V120 CarbonylContact O-C 3.58Å; G25-V120 WeakPolarHBondContact O-CA 3.33Å; P27-V120 HydrophobicContact CG-CG1 3.83Å; L96-V120 HydrophobicContact CD1-CG2 4.37Å; L96-V120 HydrophobicContact CD2-CG2 4.19Å; D100-V120 HydrophobicContact CB-CG2 4.2Å; S101-V120 WeakPolarHBondContact OG-CB 3.42Å; S101-V120 PolarHBondContact OG-N 3.23Å; I118-V120 HydrophobicContact CG2-CG2 4.06Å; V120-G122 PolarHBondContact O-N 3.29Å; V120-D123 WeakPolarHBondContact O-CB 3.42Å; V120-D123 PolarHBondContact O-N 3.41Å; V120-D123 VanDerWaalsContact O-N 3.08Å
121L93.8Very high83.3Confident79 Ų7974.5 Ų74.541%0.41443%0.43SS..THydrogen-bonded Turntrans-57.3125.5178.7-73.9173.6000110.5E24 G25 N26E24-L121 HydrophobicContact CG-CD2 4.39Å; E24-L121 HydrophobicContact CG-CG 4.25Å; E24-L121 VanDerWaalsContact OE1-CD2 3.24Å; E24-L121 WeakPolarHBondContact OE1-CD2 3.35Å; G25-L121 PolarHBondContact O-N 3.42Å; N26-L121 VanDerWaalsContact OD1-CD1 3.24Å; N26-L121 WeakPolarHBondContact OD1-CD1 3.33Å
122G88.4Confident81.6Confident62 Ų6270.9 Ų70.964%0.63942%0.423SS*.THydrogen-bonded Turntrans101.2-15.5-177.400000115V120V120-G122 PolarHBondContact O-N 3.29Å
123D89.7Confident79.9Confident32 Ų3273.6 Ų73.617%0.17144%0.443CS..  trans-71.2131.5172.7-75.6-6.2000110.9F50 G99 S101 V120F50-D123 HydrophobicContact CD2-CB 4.14Å; F50-D123 HydrophobicContact CE2-CB 3.94Å; G99-D123 WeakPolarHBondContact CA-OD1 3.47Å; G99-D123 WeakPolarHBondContact CA-OD2 3.07Å; G99-D123 PolarHBondContact N-OD1 2.84Å; G99-D123 PolarHBondContact N-OD2 3.28Å; S101-D123 WeakPolarHBondContact CB-OD2 3.36Å; S101-D123 PolarHBondContact N-OD2 3.12Å; S101-D123 VanDerWaalsContact OG-CB 3.26Å; S101-D123 WeakPolarHBondContact OG-CB 3.37Å; S101-D123 VanDerWaalsContact OG-CG 3.28Å; S101-D123 PolarHBondContact OG-OD2 3.45Å; V120-D123 WeakPolarHBondContact O-CB 3.42Å; V120-D123 PolarHBondContact O-N 3.41Å; V120-D123 VanDerWaalsContact O-N 3.08Å
124K87.1Confident78Confident156 Ų15679.9 Ų79.968%0.67847%0.472SS*.  trans-137.5153.4-176.2-64-179.6-176.5-177.70110.6G126K124-G126 PolarHBondContact O-N 3.47Å
125A83.2Confident75.9Confident74 Ų7483 Ų8361%0.61251%0.505SS*.SBendtrans-64.8-25.9174.400000113.2F50 C127F50-A125 VanDerWaalsContact CD1-CA 3.43Å; F50-A125 HydrophobicContact CD1-CB 3.78Å; F50-A125 HydrophobicContact CE1-CB 3.66Å; A125-C127 PolarHBondContact O-N 3.49Å
126G81.5Confident74.2Confident58 Ų5882 Ų8260%0.59851%0.513SS*.SBendtrans-79.1105172.900000110.1K124 R128K124-G126 PolarHBondContact O-N 3.47Å; G126-R128 PolarHBondContact O-N 2.78Å
127C75.8Confident72.3Confident66 Ų6689.5 Ų89.545%0.44655%0.548SS..  trans-72.865.8176-420000110C53 A125 P129C53-C127 WeakPolarHBondContact CA-SG 3.47Å; C53-C127 HydrophobicContact CB-CB 3.69Å; C53-C127 WeakPolarHBondContact CB-SG 3.26Å; C53-C127 PolarHBondContact N-SG 3.45Å; C53-C127 WeakPolarHBondContact SG-CA 3.28Å; C53-C127 WeakPolarHBondContact SG-CB 3.41Å; C53-C127 CovalentContact SG-SG 2.04Å; C53-C127 PolarHBondContact SG-SG 3.44Å; A125-C127 PolarHBondContact O-N 3.49Å; C127-P129 WeakPolarHBondContact O-CD 3.24Å
128R69.4Low70.3Confident227 Ų22797.6 Ų97.686%0.85758%0.578SS**  trans-77.5121.3167.8-158.5165.1-171.2161.30.9105.2G126 S130G126-R128 PolarHBondContact O-N 2.78Å; R128-S130 PolarHBondContact O-N 3.26Å; R128-S130 VanDerWaalsContact O-N 3.1Å
129P58.8Low68.6Low109 Ų10999.6 Ų99.671%0.70859%0.592SS**  trans-50.6128.3168.619.8-27.8000106.2C127 G131C127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.83Å
130S56.1Low67Low117 Ų117102.3 Ų102.382%0.81860%0.603SS**  trans-47.9107.3172.6-56.70000105.2R128 S132R128-S130 PolarHBondContact O-N 3.26Å; R128-S130 VanDerWaalsContact O-N 3.1Å; S130-S132 PolarHBondContact O-N 2.76Å
131G47.5Very low65.6Low62 Ų62106.2 Ų106.264%0.63963%0.626SS**  trans-55.8112.5-176.500000104.9P129 T133P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.83Å; G131-T133 VanDerWaalsContact C-N 3.29Å; G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 PolarHBondContact O-OG1 2.85Å
132S40.9Very low64.7Low96 Ų96106.1 Ų106.167%0.67163%0.626SS**  trans-52.8109168.7530000104.2S130 H134S130-S132 PolarHBondContact O-N 2.76Å; S132-H134 PolarHBondContact O-N 3.26Å; S132-H134 PolarHBondContact OG-O 3.08Å
133T48.2Very low63.9Low139 Ų139108.8 Ų108.885%0.85362%0.624SS**SBendtrans-74.159.5169.5-57.40000106.3G131G131-T133 VanDerWaalsContact C-N 3.29Å; G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 PolarHBondContact O-OG1 2.85Å
134H52.1Low63.2Low173 Ų173110.3 Ų110.380%0.80164%0.636SS**  trans-159.396.2178.8-95.4-80.8000103.8S132S132-H134 PolarHBondContact O-N 3.26Å; S132-H134 PolarHBondContact OG-O 3.08Å
135G48.8Very low62.8Low69 Ų69108.4 Ų108.471%0.71163%0.633SS**  trans152.911.8-170.900000114.8
136S56.7Low62.8Low79 Ų79110.5 Ų110.555%0.55263%0.633SS**  trans-111.542.1168.2-163.20000110.5S139S136-S139 PolarHBondContact OG-OG 2.85Å
137E56.1Low62.9Low160 Ų160109.5 Ų109.575%0.74862%0.622SS**SBendtrans-104.6-32.1164.3-70-155.3140.400111.1S139 K140 V141E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.4Å; E137-V141 PolarHBondContact O-N 3.31Å
138Y54.9Low63.4Low184 Ų184113.4 Ų113.472%0.72263%0.632SS**Hα-helixtrans-65.9-37.1175.1-146.9-108.9000111.8K140 V141 L142Y138-K140 PolarHBondContact O-N 2.77Å; Y138-V141 PolarHBondContact O-N 3.33Å; Y138-L142 HydrophobicContact CD1-CD1 3.43Å; Y138-L142 VanDerWaalsContact CD1-CD1 3.43Å; Y138-L142 HydrophobicContact CE1-CD1 3.03Å; Y138-L142 HydrophobicContact CG-CD1 4.39Å; Y138-L142 WeakPolarHBondContact O-CB 3.24Å; Y138-L142 PolarHBondContact O-N 3.49Å
139S60.1Low64.2Low42 Ų42104.8 Ų104.829%0.29461%0.613SS.*Hα-helixtrans-65.1-36.8174.957.10000112.9S136 E137 V141 I143S136-S139 PolarHBondContact OG-OG 2.85Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 2.88Å; S139-V141 VanDerWaalsContact C-N 3.26Å; S139-V141 PolarHBondContact O-N 3.41Å; S139-I143 WeakPolarHBondContact O-CB 3.07Å; S139-I143 WeakPolarHBondContact O-CD1 3.32Å; S139-I143 WeakPolarHBondContact O-CG1 3Å; S139-I143 PolarHBondContact O-N 3.08Å
140K61.9Low65.7Low160 Ų160105.1 Ų105.170%0.69661%0.608SS**Hα-helixtrans-67.8-24.4178.4-94.2175179.4161.20113.3E137 Y138 P144E137-K140 PolarHBondContact O-N 3.4Å; Y138-K140 PolarHBondContact O-N 2.77Å; K140-P144 WeakPolarHBondContact O-CD 3.5Å; K140-P144 WeakPolarHBondContact O-CG 3.4Å
141V67.3Low67.5Low87 Ų87104.4 Ų104.453%0.52760%0.599SS.*Hα-helixtrans-98.3-41.5-179.9-179.70000111.3E137 Y138 S139 I143 P144 L145E137-V141 PolarHBondContact O-N 3.31Å; Y138-V141 PolarHBondContact O-N 3.33Å; S139-V141 VanDerWaalsContact C-N 3.26Å; S139-V141 PolarHBondContact O-N 3.41Å; V141-I143 PolarHBondContact O-N 3.36Å; V141-P144 VanDerWaalsContact O-CD 3.28Å; V141-P144 WeakPolarHBondContact O-CD 3.33Å; V141-P144 WeakPolarHBondContact O-CG 3.42Å; V141-L145 HydrophobicContact CG1-CD1 3.42Å; V141-L145 VanDerWaalsContact CG1-CD1 3.42Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 PolarHBondContact O-N 2.75Å; V141-L145 VanDerWaalsContact O-N 3.15Å
142L73.4Confident69.6Low76 Ų76107.2 Ų107.240%0.39860%0.599SS.*Hα-helixtrans-69-38.5-175.4-130.4125.6000113.2Y138 L145 L146Y138-L142 HydrophobicContact CD1-CD1 3.43Å; Y138-L142 VanDerWaalsContact CD1-CD1 3.43Å; Y138-L142 HydrophobicContact CE1-CD1 3.03Å; Y138-L142 HydrophobicContact CG-CD1 4.39Å; Y138-L142 WeakPolarHBondContact O-CB 3.24Å; Y138-L142 PolarHBondContact O-N 3.49Å; L142-L145 PolarHBondContact O-N 2.81Å; L142-L146 HydrophobicContact CD2-CD1 3.8Å; L142-L146 HydrophobicContact CD2-CG 4.49Å; L142-L146 WeakPolarHBondContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.92Å
143I72.5Confident71.9Confident118 Ų118104.7 Ų104.761%0.60559%0.588SS**Hα-helixtrans-64.7-49.9-179.3-62.6171.2000111.7S139 V141 L145 L146 G147S139-I143 WeakPolarHBondContact O-CB 3.07Å; S139-I143 WeakPolarHBondContact O-CD1 3.32Å; S139-I143 WeakPolarHBondContact O-CG1 3Å; S139-I143 PolarHBondContact O-N 3.08Å; V141-I143 PolarHBondContact O-N 3.36Å; I143-L145 PolarHBondContact O-N 3.15Å; I143-L146 PolarHBondContact O-N 2.96Å; I143-G147 PolarHBondContact O-N 3.36Å
144P75.3Confident74.1Confident64 Ų64103.2 Ų103.242%0.41657%0.574SS.*Hα-helixtrans-67.7-32.6175.424.3-32.2000113K140 V141 G147 F148K140-P144 WeakPolarHBondContact O-CD 3.5Å; K140-P144 WeakPolarHBondContact O-CG 3.4Å; V141-P144 VanDerWaalsContact O-CD 3.28Å; V141-P144 WeakPolarHBondContact O-CD 3.33Å; V141-P144 WeakPolarHBondContact O-CG 3.42Å; P144-G147 PolarHBondContact O-N 3.4Å; P144-F148 WeakPolarHBondContact O-CD2 3.5Å; P144-F148 PolarHBondContact O-N 3.42Å
145L78.9Confident76Confident117 Ų11796.8 Ų96.861%0.61356%0.555SS**Hα-helixtrans-64.2-42.8174.8-102.7128.7000112.6V141 L142 I143 G147 F148 G149V141-L145 HydrophobicContact CG1-CD1 3.42Å; V141-L145 VanDerWaalsContact CG1-CD1 3.42Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 PolarHBondContact O-N 2.75Å; V141-L145 VanDerWaalsContact O-N 3.15Å; L142-L145 PolarHBondContact O-N 2.81Å; I143-L145 PolarHBondContact O-N 3.15Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-F148 PolarHBondContact O-N 3.49Å; L145-G149 PolarHBondContact O-N 2.92Å
146L82.9Confident78Confident118 Ų11896 Ų9662%0.61854%0.542SS*.Hα-helixtrans-61.7-42172.6-84.2161.9000111.3L142 I143 G149 L150L142-L146 HydrophobicContact CD2-CD1 3.8Å; L142-L146 HydrophobicContact CD2-CG 4.49Å; L142-L146 WeakPolarHBondContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.92Å; I143-L146 PolarHBondContact O-N 2.96Å; L146-G149 PolarHBondContact O-N 3.23Å; L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 PolarHBondContact O-N 3.37Å
147G84.2Confident79.6Confident36 Ų3697.9 Ų97.937%0.37155%0.545SS..Hα-helixtrans-60.5-49175.500000112.7I143 P144 L145 L150 V151I143-G147 PolarHBondContact O-N 3.36Å; P144-G147 PolarHBondContact O-N 3.4Å; L145-G147 VanDerWaalsContact C-N 3.32Å; G147-L150 PolarHBondContact O-N 3.5Å; G147-V151 WeakPolarHBondContact O-CG2 3.39Å; G147-V151 PolarHBondContact O-N 3.28Å; G147-V151 VanDerWaalsContact O-N 3.07Å
148F84.9Confident81.2Confident149 Ų14992 Ų9265%0.65453%0.528SS*.Hα-helixtrans-62-44.9176.6-98.4-84.2000112.1P144 L145 L150 V151 L152P144-F148 WeakPolarHBondContact O-CD2 3.5Å; P144-F148 PolarHBondContact O-N 3.42Å; L145-F148 PolarHBondContact O-N 3.49Å; F148-L150 VanDerWaalsContact C-N 3.32Å; F148-L150 PolarHBondContact O-N 3.34Å; F148-V151 PolarHBondContact O-N 3.45Å; F148-L152 WeakPolarHBondContact O-CB 3.45Å; F148-L152 VanDerWaalsContact O-CG 3.3Å; F148-L152 WeakPolarHBondContact O-CG 3.37Å; F148-L152 PolarHBondContact O-N 3.45Å
149G86.6Confident82.8Confident45 Ų4588 Ų8846%0.46452%0.518SS..Hα-helixtrans-59.7-41.7177.500000112.6L145 L146 G153L145-G149 PolarHBondContact O-N 2.92Å; L146-G149 PolarHBondContact O-N 3.23Å; G149-G153 PolarHBondContact O-N 3.05Å
150L91.2Very high84.3Confident116 Ų11689.7 Ų89.761%0.60753%0.526SS*.Hα-helixtrans-66.1-45.6178.3-16295.1000112L146 G147 F148 G153 L154L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 PolarHBondContact O-N 3.37Å; G147-L150 PolarHBondContact O-N 3.5Å; F148-L150 VanDerWaalsContact C-N 3.32Å; F148-L150 PolarHBondContact O-N 3.34Å; L150-G153 PolarHBondContact O-N 3.04Å; L150-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 WeakPolarHBondContact O-CG 3.3Å; L150-L154 PolarHBondContact O-N 3.49Å
151V92.8Very high85.5Confident102 Ų10289.4 Ų89.462%0.61852%0.521SS*.Hα-helixtrans-62.8-44.5179.2172.20000111G147 F148 G155G147-V151 WeakPolarHBondContact O-CG2 3.39Å; G147-V151 PolarHBondContact O-N 3.28Å; G147-V151 VanDerWaalsContact O-N 3.07Å; F148-V151 PolarHBondContact O-N 3.45Å; V151-G155 PolarHBondContact O-N 2.9Å
152L92.4Very high86.4Confident121 Ų12191.1 Ų91.163%0.63452%0.518SS*.Hα-helixtrans-64.7-42.8177.3-69.9172.6000111.8F148 G155 A156F148-L152 WeakPolarHBondContact O-CB 3.45Å; F148-L152 VanDerWaalsContact O-CG 3.3Å; F148-L152 WeakPolarHBondContact O-CG 3.37Å; F148-L152 PolarHBondContact O-N 3.45Å; L152-G155 PolarHBondContact O-N 3.44Å; L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-A156 PolarHBondContact O-N 3.27Å
153G89.6Confident86.9Confident43 Ų4396.3 Ų96.344%0.44353%0.532SS..Hα-helixtrans-62.2-47.9177.500000113G149 L150 A156 L157G149-G153 PolarHBondContact O-N 3.05Å; L150-G153 PolarHBondContact O-N 3.04Å; G153-A156 PolarHBondContact O-N 2.98Å; G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 PolarHBondContact O-N 3.45Å
154L93.9Very high87.3Confident108 Ų10899.8 Ų99.857%0.56554%0.538SS*.Hα-helixtrans-66.7-39177.6-69.1174.7000112L150 L157 G158L150-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 WeakPolarHBondContact O-CG 3.3Å; L150-L154 PolarHBondContact O-N 3.49Å; L154-L157 PolarHBondContact O-N 3.45Å; L154-G158 PolarHBondContact O-N 3.17Å
155G91.4Very high87.5Confident38 Ų38105.3 Ų105.339%0.39255%0.55SS.*Hα-helixtrans-62.8-44.9175.800000112.8V151 L152 G158 L159V151-G155 PolarHBondContact O-N 2.9Å; L152-G155 PolarHBondContact O-N 3.44Å; G155-G158 PolarHBondContact O-N 2.85Å; G155-L159 PolarHBondContact O-N 2.95Å
156A91.5Very high87.4Confident53 Ų53107.7 Ų107.744%0.43855%0.551SS.*Hα-helixtrans-63.7-43.4175.900000111.9L152 G153 G158 L159 V160L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-A156 PolarHBondContact O-N 3.27Å; G153-A156 PolarHBondContact O-N 2.98Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.46Å; A156-L159 PolarHBondContact O-N 2.95Å; A156-V160 WeakPolarHBondContact O-CG2 3.46Å; A156-V160 PolarHBondContact O-N 3.37Å
157L89.8Confident86.7Confident119 Ų119105.9 Ų105.962%0.62355%0.548SS*.Hα-helixtrans-62.8-41.8177.2-172.563.2000111.7G153 L154 V160 W161G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 PolarHBondContact O-N 3.45Å; L154-L157 PolarHBondContact O-N 3.45Å; L157-V160 PolarHBondContact O-N 3.41Å; L157-W161 WeakPolarHBondContact O-CB 3.36Å; L157-W161 PolarHBondContact O-N 3.03Å
158G90.3Very high85.9Confident37 Ų37109.4 Ų109.438%0.38157%0.565SS.*Hα-helixtrans-60.4-44.2174.200000112.7L154 G155 A156 W161 W162L154-G158 PolarHBondContact O-N 3.17Å; G155-G158 PolarHBondContact O-N 2.85Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.46Å; G158-W161 PolarHBondContact O-N 2.94Å; G158-W162 VanDerWaalsContact O-CB 3.26Å; G158-W162 WeakPolarHBondContact O-CB 3.46Å; G158-W162 PolarHBondContact O-N 3.35Å
159L88.8Confident85.1Confident100 Ų100107.7 Ų107.752%0.52457%0.569SS.*Hα-helixtrans-62.4-43.5176-84163.4000112.5G155 A156 W162 R163G155-L159 PolarHBondContact O-N 2.95Å; A156-L159 PolarHBondContact O-N 2.95Å; L159-W162 HydrophobicContact CD2-CE3 4.43Å; L159-W162 PolarHBondContact O-N 3Å; L159-R163 WeakPolarHBondContact O-CB 3.49Å; L159-R163 WeakPolarHBondContact O-CG 3.38Å; L159-R163 PolarHBondContact O-N 2.92Å
160V90.1Very high84.2Confident77 Ų77111 Ų11147%0.46758%0.582SS.*Hα-helixtrans-63-45.6176.7170.60000110.7A156 L157 R163 R164A156-V160 WeakPolarHBondContact O-CG2 3.46Å; A156-V160 PolarHBondContact O-N 3.37Å; L157-V160 PolarHBondContact O-N 3.41Å; V160-R163 PolarHBondContact O-N 3.07Å; V160-R164 PolarHBondContact O-N 3.36Å
161W87.7Confident83.3Confident154 Ų154111 Ų11158%0.58359%0.589SS**Hα-helixtrans-65.6-40179.3-169.577.2000112.4L157 G158 R164 R165L157-W161 WeakPolarHBondContact O-CB 3.36Å; L157-W161 PolarHBondContact O-N 3.03Å; G158-W161 PolarHBondContact O-N 2.94Å; W161-R164 PolarHBondContact O-N 2.94Å; W161-R165 PolarHBondContact O-N 3.35Å
162W87.2Confident82.3Confident122 Ų122111.6 Ų111.646%0.46260%0.595SS.*Hα-helixtrans-63.6-42.1174.5-176.768.6000112.5G158 L159 R165 R166G158-W162 VanDerWaalsContact O-CB 3.26Å; G158-W162 WeakPolarHBondContact O-CB 3.46Å; G158-W162 PolarHBondContact O-N 3.35Å; L159-W162 HydrophobicContact CD2-CE3 4.43Å; L159-W162 PolarHBondContact O-N 3Å; W162-R165 PolarHBondContact O-N 3.48Å; W162-R166 VanDerWaalsContact CE2-NE 3.29Å; W162-R166 VanDerWaalsContact CH2-NH1 3.32Å; W162-R166 PolarHBondContact O-N 2.99Å
163R83.8Confident81.6Confident185 Ų185111.5 Ų111.570%0.69860%0.601SS**Hα-helixtrans-61.6-43.7173.2-79.5-173.4174.2-173.8-0.6111.8L159 V160 R165 R166 S167L159-R163 WeakPolarHBondContact O-CB 3.49Å; L159-R163 WeakPolarHBondContact O-CG 3.38Å; L159-R163 PolarHBondContact O-N 2.92Å; V160-R163 PolarHBondContact O-N 3.07Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 3.39Å; R163-R166 PolarHBondContact O-N 3.38Å; R163-R166 VanDerWaalsContact O-N 3.11Å; R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.37Å
164R80.6Confident80.9Confident192 Ų192114.9 Ų114.973%0.72562%0.616SS**Hα-helixtrans-59.8-37.9176.3-76.1-172.1-170.4-152.53.5112.8V160 W161 R166V160-R164 PolarHBondContact O-N 3.36Å; W161-R164 PolarHBondContact O-N 2.94Å; R164-R166 VanDerWaalsContact C-N 3.32Å
165R78.4Confident79.9Confident180 Ų180115.4 Ų115.468%0.67963%0.625SS**Hα-helixtrans-71.5-24.2176.7-74.1-148.1-166.6-1408.9114W161 W162 R163W161-R165 PolarHBondContact O-N 3.35Å; W162-R165 PolarHBondContact O-N 3.48Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 3.39Å
166R76.9Confident78.9Confident166 Ų166119.1 Ų119.163%0.62664%0.643SS**Hα-helixtrans-92.6-4.9179.8-73-172.2172.7-164.2-2.5113.6W162 R163 R164W162-R166 VanDerWaalsContact CE2-NE 3.29Å; W162-R166 VanDerWaalsContact CH2-NH1 3.32Å; W162-R166 PolarHBondContact O-N 2.99Å; R163-R166 PolarHBondContact O-N 3.38Å; R163-R166 VanDerWaalsContact O-N 3.11Å; R164-R166 VanDerWaalsContact C-N 3.32Å
167S69.6Low77.8Confident80 Ų80122.2 Ų122.256%0.55966%0.658SS**SBendtrans-63.8126.5171.5-65.40000109.3R163R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.37Å
168P66.4Low76.1Confident111 Ų111123 Ų12372%0.72167%0.671SS**PPolyproline II helixtrans-60148.4174.122.1-28.9000110
169P68.4Low74.3Confident113 Ų113124.4 Ų124.473%0.73469%0.685SS**PPolyproline II helixtrans-57.3147174.924.5-32.4000109.9
170P68.3Low72.2Confident115 Ų115126.1 Ų126.175%0.74770%0.702SS**PPolyproline II helixtrans-56.4142.9175.923.3-31.7000109.8
171P72.2Confident69.8Low114 Ų114130.3 Ų130.374%0.7472%0.721SS**PPolyproline II helixtrans-58.5145.3179.223.9-32.4000110.2
172P72Confident67.9Low116 Ų116127.3 Ų127.375%0.75372%0.721SS**PPolyproline II helixtrans-59.3143.8177.124.5-32.3000110.1
173P76.1Confident65.4Low118 Ų118128.5 Ų128.577%0.76674%0.742SS**PPolyproline II helixtrans-59.2146177.323.8-31.9000110.7
174P75.4Confident63.3Low115 Ų115126.9 Ų126.975%0.74775%0.746SS**PPolyproline II helixtrans-61.5147.6178.225.6-33000110.8
175P72.3Confident61Low118 Ų118122 Ų12277%0.76675%0.746SS**PPolyproline II helixtrans-61.1139.6179.824.8-32.7000110.5
176P70.8Confident59.3Low116 Ų116119.1 Ų119.175%0.75375%0.751SS**PPolyproline II helixtrans-62.6143.5174.626-32.4000110.2
177P69.7Low57.6Low118 Ų118116.9 Ų116.977%0.76676%0.755SS**PPolyproline II helixtrans-61.9149.2177.624-31.6000111.1G179P177-G179 PolarHBondContact O-N 2.98Å
178P53.2Low56.1Low137 Ų137121 Ų12189%0.8977%0.77SS**  trans-65.1105.4178.1-9.221.8000109.8
179G51.6Low54.4Low65 Ų65122.5 Ų122.567%0.6777%0.772SS**PPolyproline II helixtrans-80.6141.3169.800000110.6P177P177-G179 PolarHBondContact O-N 2.98Å
180P45.5Very low52.8Low137 Ų137121.9 Ų121.989%0.8978%0.776SS**PPolyproline II helixtrans-68.9141.8-178.926-31.3000112.5
181L39.9Very low51.1Low165 Ų165125.2 Ų125.286%0.86478%0.781SS**PPolyproline II helixtrans-100.4161.7172.3-156.580.4000108.7
182P47.8Very low49.4Very low91 Ų91124.5 Ų124.559%0.59178%0.777SS**  cis-121.6171.4-30.116.76.1000111.8
183T34.9Very low47.5Very low147 Ų147128.4 Ų128.490%0.90279%0.785SS**  trans-143.5130.1140.3-66.80000108.7
184I38.6Very low45.3Very low150 Ų150134.2 Ų134.277%0.76979%0.792SS**  trans-90.7139.8-168.1-70.9167.3000110.7
185A33.1Very low43.7Very low89 Ų89133.3 Ų133.374%0.73679%0.786SS**  trans80.4156.6154.100000120
186P42.4Very low42Very low120 Ų120135 Ų13578%0.77979%0.788SS**  cis-123.8159.13.626.1-4000116.9
187V41.3Very low40.2Very low119 Ų119137 Ų13772%0.72179%0.787SS**  trans-50.2131.61701720000112.9N189V187-N189 WeakPolarHBondContact CG1-OD1 3.26Å
188I37.9Very low38.5Very low168 Ų168138.6 Ų138.686%0.86278%0.784SS**  trans-130.8120.4153.1-49.1176.6000107.2
189N32Very low37.4Very low142 Ų142139.3 Ų139.376%0.75978%0.78SS**  trans-64.4134.1-172.4-61.3-40.1000112.4V187V187-N189 WeakPolarHBondContact CG1-OD1 3.26Å
190A33.7Very low36.8Very low100 Ų100141.3 Ų141.383%0.82678%0.784SS**  trans-145.9114.3148.800000108.5
191E32.6Very low36Very low184 Ų184144.5 Ų144.586%0.8678%0.784SS**  trans-64.3150.7-173.3-171.468.7178.400112.7
192P37.7Very low35.9Very low99 Ų99144.6 Ų144.664%0.64378%0.784SS**  trans-99.7150.1-167.119.2-1.4000113.8
193Q30.4Very low35.2Very low199 Ų199145.9 Ų145.993%0.9380%0.795SS**  trans-139126.3156-74.2-158.7-1500114
194R30.6Very low35Very low239 Ų239142.3 Ų142.390%0.90279%0.787SS**  trans-148.3170.9157.8-95.1-156.5-178.1176.43.2105.2
195P41.8Very low34.4Very low97 Ų97143.5 Ų143.563%0.6379%0.789SS**  cis-143.3-176.6-45.241.7-24.6000112.5
196L36.4Very low34.7Very low152 Ų152145.8 Ų145.880%0.79679%0.788SS**  trans68.2146162.5-88.1109.8000115.8
197E33.3Very low34.4Very low160 Ų160147 Ų14775%0.74879%0.788SS**  cis-154.3139.340-76.2-171.5108.200109.2
198Q34.5Very low34Very low150 Ų150150.4 Ų150.470%0.70180%0.796SS**  63.2114.9100-160.6162.8-15.900115.2
199D28.9Very low33.9Very low152 Ų152150.9 Ų150.981%0.81380%0.795SS**  -171.8152108.7-116.9-25.7000115.8
200S40Very low34.3Very low107 Ų107149.2 Ų149.275%0.74879%0.792SS**  trans-81.8142.6-179-59.90000112
201K29.5Very low34.4Very low205 Ų205151.6 Ų151.689%0.89179%0.791SS**  trans-153.6116.8150-153.3157.9-1731700113.2
202I37Very low34.9Very low167 Ų167149.7 Ų149.786%0.85679%0.785SS**  trans-76.2130.7163.8-67.2161.4000108.1
203S32.8Very low35.2Very low118 Ų118153.7 Ų153.783%0.82580%0.795SS**  trans-164.7117.6144.5-170.90000108.3
204G31.1Very low35.6Very low71 Ų71154.4 Ų154.473%0.73279%0.791SS**  trans-81.8163.4-176.300000114.3
205H26.1Very low36.3Very low176 Ų176147 Ų14782%0.81578%0.781SS**  trans-165.1142.9139.2-162.449.6000109.4
206L38.5Very low36.5Very low136 Ų136150.1 Ų150.171%0.71279%0.792SS**  trans-64.5158.4-177.8-58.7142.1000110.3
207D35.8Very low37.1Very low145 Ų145149.4 Ų149.478%0.77579%0.788SS**  cis-157.4135.539.1-73.5-68.1000109.3
208Q34.2Very low37.6Very low192 Ų192148 Ų14890%0.89779%0.786SS**  trans-138.4104.3163.7-165.194.541.300108.8
209E34.8Very low38.2Very low177 Ų177148.4 Ų148.483%0.82779%0.788SS**  trans-55.2135.4178.4-169.7-179.1120.800112.3N211E209-N211 PolarHBondContact O-N 2.94Å
210P40Very low39Very low108 Ų108145.1 Ų145.170%0.70178%0.777SS**  trans-81.8117.9177.330.2-29.2000110.9L212P210-L212 PolarHBondContact O-N 3.46Å; P210-L212 VanDerWaalsContact O-N 3.17Å
211N37.4Very low39.2Very low150 Ų150146 Ų14680%0.80278%0.778SS**  trans-51.3112.7173.5-146.4-2.7000110.9E209 H213E209-N211 PolarHBondContact O-N 2.94Å; N211-H213 PolarHBondContact O-N 3.28Å
212L42.3Very low40.2Very low143 Ų143143.9 Ų143.975%0.74978%0.775SS**  trans-73.9106.1177.8-74.6165.1000109.9P210 Y214P210-L212 PolarHBondContact O-N 3.46Å; P210-L212 VanDerWaalsContact O-N 3.17Å; L212-Y214 PolarHBondContact O-N 3.47Å
213H44.2Very low40.5Very low184 Ų184147.1 Ų147.185%0.85278%0.777SS**  trans-68.499163.3-78.3-69.1000109.4N211N211-H213 PolarHBondContact O-N 3.28Å
214Y39.3Very low41.1Very low213 Ų213152.4 Ų152.484%0.83578%0.778SS**  trans-67.9128.1164.9-100.3-91.7000109.4L212 D216L212-Y214 PolarHBondContact O-N 3.47Å; Y214-D216 PolarHBondContact O-N 2.91Å
215A44.7Very low41.3Very low84 Ų84158.5 Ų158.569%0.69479%0.787SS**  trans-67.2123.1168.600000109.4L217A215-L217 PolarHBondContact O-N 3.42Å
216D46.2Very low42.1Very low162 Ų162160 Ų16087%0.86679%0.786SS**  trans-64.1114.6168.2-170.918.9000108.9Y214Y214-D216 PolarHBondContact O-N 2.91Å
217L49.5Very low42.3Very low137 Ų137164.7 Ų164.772%0.71779%0.794SS**  trans-96.7113.9177.6-86.6161.9000109A215 H219A215-L217 PolarHBondContact O-N 3.42Å; L217-H219 PolarHBondContact O-CD2 3.4Å; L217-H219 PolarHBondContact O-N 3.3Å; L217-H219 VanDerWaalsContact O-N 3.12Å
218D42.2Very low42.2Very low130 Ų130164.9 Ų164.970%0.69579%0.792SS**  trans-54.4108.6175-167.6-11.1000111.6S220D218-S220 VanDerWaalsContact CG-OG 3.26Å; D218-S220 PolarHBondContact O-N 3.11Å; D218-S220 VanDerWaalsContact OD1-CB 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.4Å; D218-S220 PolarHBondContact OD1-N 3.17Å; D218-S220 PolarHBondContact OD1-OG 3.36Å; D218-S220 PolarHBondContact OD2-OG 3.17Å
219H48.3Very low42.2Very low159 Ų159160.7 Ų160.774%0.73678%0.784SS**G310 helixtrans-80.911.2-177.8-77.7-61.5000114.2L217 V221L217-H219 PolarHBondContact O-CD2 3.4Å; L217-H219 PolarHBondContact O-N 3.3Å; L217-H219 VanDerWaalsContact O-N 3.12Å; H219-V221 VanDerWaalsContact C-N 3.29Å; H219-V221 PolarHBondContact O-N 3.3Å
220S45.7Very low42.5Very low83 Ų83156.7 Ų156.758%0.5878%0.781SS**G310 helixtrans-74.8-6.8-176.259.80000115.5D218D218-S220 VanDerWaalsContact CG-OG 3.26Å; D218-S220 PolarHBondContact O-N 3.11Å; D218-S220 VanDerWaalsContact OD1-CB 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.4Å; D218-S220 PolarHBondContact OD1-N 3.17Å; D218-S220 PolarHBondContact OD1-OG 3.36Å; D218-S220 PolarHBondContact OD2-OG 3.17Å
221V44.6Very low42.4Very low127 Ų127159.2 Ų159.277%0.7779%0.788SS**G310 helixtrans-96-11.9-175.2-172.30000114.5H219H219-V221 VanDerWaalsContact C-N 3.29Å; H219-V221 PolarHBondContact O-N 3.3Å
222L48.8Very low42.8Very low160 Ų160158.6 Ų158.684%0.83879%0.789SS**SBendtrans-94.56.9-175.7-71.8174.4000115.5
223R43.4Very low43Very low235 Ų235157.1 Ų157.189%0.88779%0.788SS**  trans-118.851.3-175.3-145.9179.2-164.3166.94.1113.8
224R46.6Very low42.7Very low229 Ų229151.5 Ų151.586%0.86478%0.78SS**  trans-150.586.1161.9-116.4-178.5-136.9-176.86111.2
225H35.6Very low43.1Very low198 Ų198149.5 Ų149.592%0.91778%0.784SS**  -149.1114.3125.2-102.6-58.4000111.1R227H225-R227 PolarHBondContact O-N 2.86Å
226R41.3Very low42.9Very low207 Ų207149.8 Ų149.878%0.78179%0.786SS**  trans-37.9126.6168.9-91.1168.3163.6165.8-5.8112.8M228R226-M228 PolarHBondContact O-N 3.06Å
227R42.5Very low42.8Very low236 Ų236147.1 Ų147.189%0.89178%0.78SS**  trans-56.7116.9139.6-174.8-172.6-93.6-153.5-4.7108.1H225H225-R227 PolarHBondContact O-N 2.86Å
228M34.8Very low42.6Very low148 Ų148147.2 Ų147.273%0.72979%0.786SS**  trans-137.8117.5157.7-88.6-178.6166.100108.3R226R226-M228 PolarHBondContact O-N 3.06Å
229S35Very low42.6Very low104 Ų104145.9 Ų145.973%0.72778%0.782SS**  trans-70.9155.1172.4-55.40000111.5
230A40.1Very low42.3Very low93 Ų93148.4 Ų148.477%0.76979%0.787SS**  trans38.3111.614700000119.2
231L36.8Very low42.4Very low162 Ų162149 Ų14985%0.84880%0.798SS**  trans-157.4114.9134.4-140.386.3000109.9
232V47.5Very low42.5Very low137 Ų137148.9 Ų148.983%0.8380%0.797SS**  trans-74132.3154.9170.50000106.9
233P44.8Very low42.5Very low112 Ų112147.8 Ų147.873%0.72780%0.796SS**  -139138.6123.230.1-14000109.2
234G39Very low43Very low65 Ų65146 Ų14667%0.6781%0.811SS**  125.5128.151.200000105.4
235D48.1Very low42.8Very low172 Ų172141.9 Ų141.992%0.9281%0.808SS**  trans-45.5136.6-178.1-73.2-50.9000113.6
236A39.2Very low43.2Very low89 Ų89138.9 Ų138.974%0.73680%0.803SS**  trans-140.685.1158.700000109.1T238A236-T238 PolarHBondContact O-N 2.97Å
237S45.7Very low43.3Very low107 Ų107135.1 Ų135.175%0.74880%0.804SS**  trans-61.5124.8160.878.70000108.2
238T43.6Very low43.3Very low139 Ų139129.2 Ų129.285%0.85380%0.799SS**  trans-122.6123.7164.5-48.10000109A236A236-T238 PolarHBondContact O-N 2.97Å
239V42.7Very low43.9Very low101 Ų101128 Ų12861%0.61280%0.803SS**  trans-112.4130.7-166.5163.50000107.7
240Y41.5Very low44.5Very low212 Ų212129.6 Ų129.683%0.83181%0.808SS**  trans35.5142166.6-47.5-63.4000123.8
241A48.6Very low44.8Very low97 Ų97132.2 Ų132.280%0.80281%0.811SS**  -145.9121.8117.300000110.4
242V46.5Very low45.4Very low124 Ų124129.9 Ų129.975%0.75281%0.808SS**  trans-94127163.2173.70000106.1
243V48.8Very low45.2Very low137 Ų137129.3 Ų129.383%0.8381%0.806SS**  trans-98.5120.4168-177.20000106.7
244V54.2Low45.3Very low197 Ų197130.9 Ų130.9100%1.19481%0.813SS**  trans-81.30173.3-179.50000109.2

Retrieved 244 of 244 residues in 139.9 ms (Link to these results)