A0A087YLM3_POEFO Loading...

Purine rich element binding protein B

AlphaFold DB , UniProt , Accession A0A087YLM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 297 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
1M46.7Very low38.7Very low243 Ų243136 Ų136100%1.19783%0.832SS**  079.30-69.4172.3167.800105.1
2A38.9Very low38.2Very low91 Ų91130.8 Ų130.875%0.75283%0.825SS**  62.292.968.900000111.9
3D41.7Very low37.8Very low173 Ų173129.1 Ų129.193%0.92582%0.82SS**  trans16.3150.5141.5-54.9-72.1000123
4G36.2Very low37.5Very low71 Ų71128 Ų12873%0.73282%0.819SS**  trans142.871.3157.400000112.1
5D38.9Very low37.1Very low152 Ų152125 Ų12581%0.81382%0.821SS**  42.4116.791.4-163.922.5000115.3G7D5-G7 PolarHBondContact OD1-N 3.28Å
6S43.4Very low36.7Very low128 Ų128122.2 Ų122.290%0.89582%0.821SS**  trans-157.578159.6-79.90000108.5
7G39.5Very low36.4Very low59 Ų59119.8 Ų119.861%0.60882%0.822SS**  trans-86.4138.9157.500000112.2D5D5-G7 PolarHBondContact OD1-N 3.28Å
8S40.8Very low36.3Very low115 Ų115116.3 Ų116.380%0.80481%0.809SS**  trans175.199.7139.935.40000107.6
9E34.7Very low36.1Very low158 Ų158114.9 Ų114.974%0.73882%0.816SS**  74.9127.583.9-83.5-140.3142.900115.5
10R34.4Very low36Very low225 Ų225111.8 Ų111.885%0.84980%0.802SS**  trans90.4119.5149.2-68.7160.7-175.8-123.4-4119.4
11G30.5Very low35.9Very low81 Ų81113.6 Ų113.684%0.83580%0.795SS**  trans161.666.1156.100000113.6
12G32.4Very low35.5Very low73 Ų73111.4 Ų111.475%0.75378%0.782SS**  trans-77.1143170.900000113
13S33.8Very low35.5Very low109 Ų109112.6 Ų112.676%0.76277%0.771SS**  trans173.6106.4142.4-83.10000107.5
14S33.2Very low35Very low114 Ų114111.5 Ų111.580%0.79776%0.759SS**  57.1116.483.971.40000114
15G30.8Very low35Very low83 Ų83115.9 Ų115.986%0.85676%0.76SS**  trans102.3120.7136.400000118.7
16G30.8Very low35.3Very low80 Ų80118.7 Ų118.783%0.82576%0.759SS**  trans98.9100.6149.200000114.1
17G31.6Very low35.3Very low81 Ų81115.9 Ų115.984%0.83574%0.735SS**  cis81.596.132.900000110.8
18G35.8Very low35.7Very low57 Ų57121.5 Ų121.559%0.58875%0.745SS**  trans84.168.7146.200000118.7
19G32.5Very low36.8Very low91 Ų91121.7 Ų121.794%0.93873%0.733SS**SBendtrans-89.32.9166.300000115.8
20G32.9Very low38.9Very low52 Ų52115.8 Ų115.854%0.53671%0.708SS.*SBendtrans-102.4-5.4-16800000117.2
21F34.8Very low41.3Very low149 Ų149111 Ų11165%0.65470%0.695SS**THydrogen-bonded Turntrans-1000.8-159.9-62.1-71.4000116.5H23F21-H23 PolarHBondContact O-N 3.12Å
22Q38Very low44.2Very low198 Ų198112 Ų11293%0.92568%0.678SS**THydrogen-bonded Turntrans-79.7-11.9-178.3-81.8-177.60.400115.1
23H38.1Very low46.9Very low115 Ų115110.6 Ų110.653%0.53265%0.653SS.*THydrogen-bonded Turntrans-94.8-16.4178.4-147.5-61.7000113.9F21F21-H23 PolarHBondContact O-N 3.12Å
24F31.7Very low49.8Very low151 Ų151106.2 Ų106.266%0.66262%0.624SS**THydrogen-bonded Turntrans-91.3-15.9-174.2-81.3-80.3000115.2
25Q36.1Very low52.7Low162 Ų162103.9 Ų103.976%0.75761%0.607SS**SBendtrans-80.6-19.3-179.3-79.7-179.2-8.800113.9
26R44.7Very low55.8Low211 Ų211104.8 Ų104.880%0.79659%0.587SS**SBendtrans-84-20-179.9-149.6-177.3-74.3-174.1-1.8113.1
27D44.8Very low58.9Low70 Ų70105.8 Ų105.837%0.37457%0.567SS.*SBendtrans-86.5-15.1-177.8-70.8-41.7000113.2E29 T30D27-E29 VanDerWaalsContact C-N 3.31Å; D27-E29 PolarHBondContact O-N 3.27Å; D27-T30 PolarHBondContact O-N 2.96Å; D27-T30 PolarHBondContact O-OG1 2.92Å
28Q48.3Very low62Low177 Ų177102.7 Ų102.783%0.82753%0.531SS*.THydrogen-bonded Turntrans-71.2-20.4-179.9-81.6-174.41.100114.4
29E63.6Low64.8Low119 Ų119104.2 Ų104.256%0.55653%0.525SS*.THydrogen-bonded Turntrans-93.4-5175.7-78.8-171.4157.900113.7D27D27-E29 VanDerWaalsContact C-N 3.31Å; D27-E29 PolarHBondContact O-N 3.27Å
30T78.1Confident67.7Low33 Ų33100.2 Ų100.220%0.20248%0.482CS..  trans-110116.3-174.561.60000111.2D27 Q51 N52 F57D27-T30 PolarHBondContact O-N 2.96Å; D27-T30 PolarHBondContact O-OG1 2.92Å; T30-Q51 CarbonylContact C-O 3.56Å; T30-Q51 VanDerWaalsContact CA-O 3.31Å; T30-Q51 WeakPolarHBondContact CA-O 3.44Å; T30-N52 HydrophobicContact CG2-CB 3.91Å; T30-F57 HydrophobicContact CG2-CZ 4.41Å
31Q85.4Confident70.4Confident125 Ų125102.9 Ų102.958%0.58448%0.481SS*.EExtended strand (participates in β ladder)trans-83.4133.8174.7-176.4175.412.800109.8L33 K50 Q51Q31-L33 HydrophobicContact CG-CD2 4.19Å; Q31-K50 CarbonylContact O-C 3.54Å; Q31-K50 WeakPolarHBondContact O-CA 3.49Å; Q31-Q51 PolarHBondContact N-O 3.03Å; Q31-Q51 PolarHBondContact O-N 3.15Å
32E90.7Very high73Confident101 Ų10199.1 Ų99.147%0.47247%0.468SS..EExtended strand (participates in β ladder)trans-87.1127.1169.8-169.3166.8119.800109.6K50E32-K50 HydrophobicContact CG-CG 4.44Å; E32-K50 IonicContact OE2-NZ 2.85Å; E32-K50 PolarHBondContact OE2-NZ 3.34Å
33L90.3Very high75.6Confident44 Ų4491 Ų9123%0.2343%0.429CS..EExtended strand (participates in β ladder)trans-100.3-40.6-177.8-60.4-177.3000111.7Q31 V49 Q51 R56 Y192Q31-L33 HydrophobicContact CG-CD2 4.19Å; L33-V49 HydrophobicContact CB-CB 4.38Å; L33-V49 HydrophobicContact CB-CG1 4.19Å; L33-V49 HydrophobicContact CD1-CG1 4.19Å; L33-V49 PolarHBondContact N-O 3.35Å; L33-Q51 HydrophobicContact CD1-CB 4Å; L33-Q51 HydrophobicContact CD2-CB 4.45Å; L33-Q51 HydrophobicContact CG-CB 4.21Å; L33-R56 HydrophobicContact CD1-CG 4.11Å; L33-Y192 HydrophobicContact CB-CD1 4.03Å; L33-Y192 HydrophobicContact CB-CE1 3.82Å; L33-Y192 HydrophobicContact CD1-CD1 4.03Å; L33-Y192 PolarHBondContact O-OH 3.49Å
34A92.9Very high78.3Confident18 Ų1891.6 Ų91.615%0.14943%0.427CS..EExtended strand (participates in β ladder)trans-152.7154.2176.800000110.8D48 V49 L188 Y192A34-D48 CarbonylContact O-C 3.58Å; A34-D48 WeakPolarHBondContact O-CA 3.11Å; A34-V49 HydrophobicContact CB-CB 4.21Å; A34-V49 HydrophobicContact CB-CG2 4.23Å; A34-V49 PolarHBondContact N-O 3.36Å; A34-V49 PolarHBondContact O-N 3.1Å; A34-L188 HydrophobicContact CB-CD2 4.09Å; A34-Y192 HydrophobicContact CB-CD2 4.35Å; A34-Y192 HydrophobicContact CB-CE2 3.49Å; A34-Y192 VanDerWaalsContact CB-CE2 3.49Å
35S94.3Very high81.4Confident65 Ų6584.4 Ų84.446%0.45540%0.395SS..EExtended strand (participates in β ladder)trans-134.1130.5167-176.20000109.4L47 D48S35-L47 WeakPolarHBondContact CA-O 3.4Å; S35-D48 WeakPolarHBondContact CB-OD1 3.46Å; S35-D48 PolarHBondContact OG-OD1 3.38Å
36K95.9Very high84.3Confident101 Ų10179.7 Ų79.744%0.43937%0.371SS..EExtended strand (participates in β ladder)trans-121127.7174.1-178.866.5175.1-174.50109.4L38 Y46 L47 A184 L188K36-L38 HydrophobicContact CG-CD2 4.36Å; K36-Y46 WeakPolarHBondContact O-CA 3.48Å; K36-L47 HydrophobicContact CB-CB 4.38Å; K36-L47 PolarHBondContact N-O 2.98Å; K36-L47 PolarHBondContact O-N 3.03Å; K36-A184 HydrophobicContact CG-CB 4.27Å; K36-L188 HydrophobicContact CB-CD1 4.25Å
37R96.4Very high86.8Confident102 Ų10269.7 Ų69.739%0.38533%0.333SS..EExtended strand (participates in β ladder)trans-100.9137.1172.3-178.9175.9167.2179.6-25.4110.9D39 R44 F45 Y46R37-D39 IonicContact CZ-OD1 3.6Å; R37-D39 IonicContact CZ-OD2 3.37Å; R37-D39 IonicContact NE-OD1 3.54Å; R37-D39 PolarHBondContact NE-OD1 2.96Å; R37-D39 IonicContact NE-OD2 2.82Å; R37-D39 PolarHBondContact NE-OD2 3.41Å; R37-D39 IonicContact NH2-OD1 2.79Å; R37-D39 PolarHBondContact NH2-OD1 2.94Å; R37-D39 VanDerWaalsContact NH2-OD1 3.08Å; R37-D39 IonicContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact NH2-OD2 3.25Å; R37-R44 VanDerWaalsContact NH2-NE 3.19Å; R37-F45 CarbonylContact C-O 3.59Å; R37-F45 VanDerWaalsContact CA-O 3.32Å; R37-F45 WeakPolarHBondContact CA-O 3.48Å; R37-Y46 HydrophobicContact CB-CD1 4.26Å; R37-Y46 HydrophobicContact CB-CE1 4.32Å; R37-Y46 HydrophobicContact CG-CD1 4.28Å; R37-Y46 HydrophobicContact CG-CE1 4.01Å; R37-Y46 PolarHBondContact NH1-OH 3.36Å
38L96Very high89.2Confident15 Ų1567.3 Ų67.38%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-125.1126.2171.9-56.1174.1000109.2K36 I40 R44 F45 L47 F181 A184K36-L38 HydrophobicContact CG-CD2 4.36Å; L38-I40 HydrophobicContact CB-CD1 4.14Å; L38-I40 HydrophobicContact CB-CG1 4.27Å; L38-I40 HydrophobicContact CD1-CD1 4.46Å; L38-R44 CarbonylContact O-C 3.52Å; L38-R44 WeakPolarHBondContact O-CA 3.44Å; L38-F45 HydrophobicContact CB-CB 4.32Å; L38-F45 PolarHBondContact N-O 3.33Å; L38-F45 PolarHBondContact O-N 3.03Å; L38-L47 HydrophobicContact CD1-CD1 4.01Å; L38-L47 HydrophobicContact CG-CD1 4.38Å; L38-F181 HydrophobicContact CD1-CB 4.2Å; L38-F181 HydrophobicContact CD1-CD2 3.76Å; L38-F181 HydrophobicContact CD1-CE2 4.45Å; L38-F181 HydrophobicContact CD1-CG 4.21Å; L38-A184 HydrophobicContact CD1-CB 3.89Å; L38-A184 HydrophobicContact CD2-CB 4.03Å; L38-A184 HydrophobicContact CG-CB 4.39Å
39D95.3Very high91.5Very high89 Ų8958.9 Ų58.948%0.47628%0.281SS..EExtended strand (participates in β ladder)trans-103.9105175.4-71.5-25.6000107.9R37 R44R37-D39 IonicContact CZ-OD1 3.6Å; R37-D39 IonicContact CZ-OD2 3.37Å; R37-D39 IonicContact NE-OD1 3.54Å; R37-D39 PolarHBondContact NE-OD1 2.96Å; R37-D39 IonicContact NE-OD2 2.82Å; R37-D39 PolarHBondContact NE-OD2 3.41Å; R37-D39 IonicContact NH2-OD1 2.79Å; R37-D39 PolarHBondContact NH2-OD1 2.94Å; R37-D39 VanDerWaalsContact NH2-OD1 3.08Å; R37-D39 IonicContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact NH2-OD2 3.25Å; D39-R44 VanDerWaalsContact OD1-CG 3.24Å; D39-R44 WeakPolarHBondContact OD1-CG 3.41Å
40I93.8Very high92.9Very high7 Ų754.2 Ų54.24%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-119.9114.1-173.3-60.1168.2000108.3L38 N42 K43 F45 L173 P174 F181L38-I40 HydrophobicContact CB-CD1 4.14Å; L38-I40 HydrophobicContact CB-CG1 4.27Å; L38-I40 HydrophobicContact CD1-CD1 4.46Å; I40-N42 PolarHBondContact O-N 3.23Å; I40-K43 PolarHBondContact N-O 3.3Å; I40-K43 PolarHBondContact O-N 3.4Å; I40-K43 VanDerWaalsContact O-O 3.12Å; I40-F45 HydrophobicContact CB-CD2 4.29Å; I40-F45 HydrophobicContact CB-CE2 4.14Å; I40-F45 HydrophobicContact CD1-CD2 3.9Å; I40-F45 HydrophobicContact CD1-CE2 4.17Å; I40-F45 HydrophobicContact CG1-CD2 4.36Å; I40-L173 HydrophobicContact CD1-CD1 3.59Å; I40-P174 HydrophobicContact CG2-CB 3.91Å; I40-P174 HydrophobicContact CG2-CG 3.87Å; I40-F181 HydrophobicContact CD1-CD2 4.47Å
41Q90Very high93.3Very high108 Ų10855 Ų5551%0.50526%0.26SS..THydrogen-bonded Turntrans52.1-120.2-171.5-59.1-178.4-16.100111.3P174 Q176Q41-P174 HydrophobicContact CG-CB 4.13Å; Q41-P174 HydrophobicContact CG-CG 4.31Å; Q41-Q176 VanDerWaalsContact NE2-CD 3.34Å
42N88.6Confident93.2Very high71 Ų7151.3 Ų51.338%0.3825%0.245SC..THydrogen-bonded Turntrans-101.821.1177.972.3-22.2000112.9I40 A65 R140I40-N42 PolarHBondContact O-N 3.23Å; N42-A65 HydrophobicContact CB-CB 4.02Å; N42-A65 WeakPolarHBondContact ND2-CB 3.36Å; N42-A65 PolarHBondContact O-N 2.8Å; N42-R140 PolarHBondContact ND2-NH2 2.79Å; N42-R140 PolarHBondContact OD1-NH2 3.05Å
43K93Very high92.6Very high28 Ų2849.6 Ų49.612%0.12224%0.244CC..EExtended strand (participates in β ladder)trans-121.6149.8178.3-59.9-170.8178.3-166.10110.6I40 F45 E62 V63 A172 P174I40-K43 PolarHBondContact N-O 3.3Å; I40-K43 PolarHBondContact O-N 3.4Å; I40-K43 VanDerWaalsContact O-O 3.12Å; K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.71Å; K43-F45 HydrophobicContact CB-CZ 4.18Å; K43-F45 HydrophobicContact CD-CE2 4.31Å; K43-F45 HydrophobicContact CD-CZ 4.02Å; K43-E62 HydrophobicContact CD-CG 4.25Å; K43-E62 WeakPolarHBondContact CD-OE1 3.48Å; K43-E62 WeakPolarHBondContact CE-OE1 3.31Å; K43-E62 IonicContact NZ-OE1 3.39Å; K43-E62 PolarHBondContact NZ-OE1 3.08Å; K43-V63 WeakPolarHBondContact CA-O 3.39Å; K43-A172 PolarHBondContact NZ-O 2.89Å; K43-P174 HydrophobicContact CD-CG 4.36Å
44R95.3Very high91.8Very high127 Ų12755.1 Ų55.148%0.47927%0.266SS..EExtended strand (participates in β ladder)trans-119.1125.6175.1-50.6-177.7170.3165.2-1.2108.5R37 L38 D39 Y46 V63R37-R44 VanDerWaalsContact NH2-NE 3.19Å; L38-R44 CarbonylContact O-C 3.52Å; L38-R44 WeakPolarHBondContact O-CA 3.44Å; D39-R44 VanDerWaalsContact OD1-CG 3.24Å; D39-R44 WeakPolarHBondContact OD1-CG 3.41Å; R44-Y46 HydrophobicContact CB-CE2 4.04Å; R44-V63 HydrophobicContact CB-CB 4.38Å; R44-V63 PolarHBondContact N-O 3.41Å; R44-V63 PolarHBondContact O-N 3.18Å
45F96.8Very high91.3Very high0 Ų054.7 Ų54.70%026%0.263CS..EExtended strand (participates in β ladder)trans-108.4133.5176.3-63.2-91.9000109.4R37 L38 I40 K43 L47 A61 E62 L173 F181R37-F45 CarbonylContact C-O 3.59Å; R37-F45 VanDerWaalsContact CA-O 3.32Å; R37-F45 WeakPolarHBondContact CA-O 3.48Å; L38-F45 HydrophobicContact CB-CB 4.32Å; L38-F45 PolarHBondContact N-O 3.33Å; L38-F45 PolarHBondContact O-N 3.03Å; I40-F45 HydrophobicContact CB-CD2 4.29Å; I40-F45 HydrophobicContact CB-CE2 4.14Å; I40-F45 HydrophobicContact CD1-CD2 3.9Å; I40-F45 HydrophobicContact CD1-CE2 4.17Å; I40-F45 HydrophobicContact CG1-CD2 4.36Å; K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.71Å; K43-F45 HydrophobicContact CB-CZ 4.18Å; K43-F45 HydrophobicContact CD-CE2 4.31Å; K43-F45 HydrophobicContact CD-CZ 4.02Å; F45-L47 HydrophobicContact CB-CD1 4.11Å; F45-A61 CarbonylContact C-O 3.46Å; F45-A61 VanDerWaalsContact CA-O 3.25Å; F45-A61 WeakPolarHBondContact CA-O 3.37Å; F45-E62 HydrophobicContact CD1-CB 3.94Å; F45-E62 HydrophobicContact CD1-CG 4.3Å; F45-E62 HydrophobicContact CE1-CB 3.68Å; F45-E62 HydrophobicContact CE1-CG 3.68Å; F45-E62 HydrophobicContact CZ-CB 4.49Å; F45-E62 HydrophobicContact CZ-CG 4Å; F45-L173 HydrophobicContact CD2-CD1 4.3Å; F45-L173 HydrophobicContact CE1-CD1 4.25Å; F45-L173 HydrophobicContact CE2-CD1 3.83Å; F45-L173 HydrophobicContact CZ-CB 4.48Å; F45-L173 HydrophobicContact CZ-CD1 3.81Å; F45-F181 HydrophobicContact CB-CE2 4.23Å; F45-F181 HydrophobicContact CD1-CE2 4.15Å; F45-F181 HydrophobicContact CG-CE2 4.26Å
46Y96.8Very high91.1Very high63 Ų6353.9 Ų53.925%0.24725%0.25CS..EExtended strand (participates in β ladder)trans-115.6122.3173.1-59.2-96.4000107.9K36 R37 R44 I60 A61 V63K36-Y46 WeakPolarHBondContact O-CA 3.48Å; R37-Y46 HydrophobicContact CB-CD1 4.26Å; R37-Y46 HydrophobicContact CB-CE1 4.32Å; R37-Y46 HydrophobicContact CG-CD1 4.28Å; R37-Y46 HydrophobicContact CG-CE1 4.01Å; R37-Y46 PolarHBondContact NH1-OH 3.36Å; R44-Y46 HydrophobicContact CB-CE2 4.04Å; Y46-I60 CarbonylContact O-C 3.52Å; Y46-I60 VanDerWaalsContact O-CA 3.28Å; Y46-I60 WeakPolarHBondContact O-CA 3.37Å; Y46-A61 PolarHBondContact N-O 3.13Å; Y46-A61 PolarHBondContact O-N 3.41Å; Y46-V63 HydrophobicContact CD2-CG2 4.23Å; Y46-V63 HydrophobicContact CE2-CG2 3.84Å
47L96.9Very high90.9Very high0 Ų050.6 Ų50.60%024%0.236CC..EExtended strand (participates in β ladder)trans-11099.3177.2-71.870.5000106.8S35 K36 L38 F45 I58 I60 F181 A184 L185 L188S35-L47 WeakPolarHBondContact CA-O 3.4Å; K36-L47 HydrophobicContact CB-CB 4.38Å; K36-L47 PolarHBondContact N-O 2.98Å; K36-L47 PolarHBondContact O-N 3.03Å; L38-L47 HydrophobicContact CD1-CD1 4.01Å; L38-L47 HydrophobicContact CG-CD1 4.38Å; F45-L47 HydrophobicContact CB-CD1 4.11Å; L47-I58 HydrophobicContact CB-CG2 4.39Å; L47-I60 HydrophobicContact CG-CG1 4.4Å; L47-F181 HydrophobicContact CD1-CD2 4.48Å; L47-F181 HydrophobicContact CD1-CE2 3.81Å; L47-F181 HydrophobicContact CD1-CZ 4.12Å; L47-F181 HydrophobicContact CD2-CE1 4.28Å; L47-F181 HydrophobicContact CD2-CE2 4.39Å; L47-F181 HydrophobicContact CD2-CZ 4.04Å; L47-F181 HydrophobicContact CG-CE2 4.4Å; L47-F181 HydrophobicContact CG-CZ 4.21Å; L47-A184 HydrophobicContact CD2-CB 4.49Å; L47-L185 HydrophobicContact CD2-CD1 4.29Å; L47-L188 HydrophobicContact CB-CD1 3.76Å; L47-L188 HydrophobicContact CD2-CD1 4.02Å
48D96Very high90.9Very high21 Ų2145.7 Ų45.711%0.11222%0.218CC..EExtended strand (participates in β ladder)trans-101.5114.6-179.7-49.9-39.9000109.3A34 S35 K50 I58 K59A34-D48 CarbonylContact O-C 3.58Å; A34-D48 WeakPolarHBondContact O-CA 3.11Å; S35-D48 WeakPolarHBondContact CB-OD1 3.46Å; S35-D48 PolarHBondContact OG-OD1 3.38Å; D48-K50 HydrophobicContact CB-CG 4.32Å; D48-I58 WeakPolarHBondContact O-CA 3.45Å; D48-K59 HydrophobicContact CB-CB 4.43Å; D48-K59 PolarHBondContact N-O 2.96Å; D48-K59 PolarHBondContact O-N 3.27Å
49V94.9Very high90.8Very high0 Ų047.1 Ų47.10%022%0.223CC..EExtended strand (participates in β ladder)trans-79.9121.7169.2-1740000107.7L33 A34 I58 L188 Y192L33-V49 HydrophobicContact CB-CB 4.38Å; L33-V49 HydrophobicContact CB-CG1 4.19Å; L33-V49 HydrophobicContact CD1-CG1 4.19Å; L33-V49 PolarHBondContact N-O 3.35Å; A34-V49 HydrophobicContact CB-CB 4.21Å; A34-V49 HydrophobicContact CB-CG2 4.23Å; A34-V49 PolarHBondContact N-O 3.36Å; A34-V49 PolarHBondContact O-N 3.1Å; V49-I58 HydrophobicContact CG2-CG1 4.26Å; V49-L188 HydrophobicContact CG2-CB 4.05Å; V49-L188 HydrophobicContact CG2-CD1 4.07Å; V49-L188 HydrophobicContact CG2-CD2 3.81Å; V49-L188 HydrophobicContact CG2-CG 4.19Å; V49-Y192 HydrophobicContact CG1-CD1 4.46Å; V49-Y192 HydrophobicContact CG1-CD2 4.38Å; V49-Y192 HydrophobicContact CG1-CG 4.01Å; V49-Y192 HydrophobicContact CG2-CD2 4.19Å
50K93.6Very high90.9Very high21 Ų2142.9 Ų42.99%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-129153.9-178.7-61.8179.8-174.9-88.80110.1Q31 E32 D48 R56 F57Q31-K50 CarbonylContact O-C 3.54Å; Q31-K50 WeakPolarHBondContact O-CA 3.49Å; E32-K50 HydrophobicContact CG-CG 4.44Å; E32-K50 IonicContact OE2-NZ 2.85Å; E32-K50 PolarHBondContact OE2-NZ 3.34Å; D48-K50 HydrophobicContact CB-CG 4.32Å; K50-R56 CarbonylContact O-C 3.6Å; K50-R56 WeakPolarHBondContact O-CA 3.47Å; K50-F57 HydrophobicContact CB-CD1 4.41Å; K50-F57 HydrophobicContact CB-CD2 4.35Å; K50-F57 HydrophobicContact CB-CE1 3.8Å; K50-F57 HydrophobicContact CB-CE2 3.78Å; K50-F57 HydrophobicContact CB-CZ 3.47Å; K50-F57 VanDerWaalsContact CB-CZ 3.47Å; K50-F57 HydrophobicContact CD-CE2 4.07Å; K50-F57 HydrophobicContact CD-CZ 4.08Å; K50-F57 HydrophobicContact CG-CE2 4.4Å; K50-F57 HydrophobicContact CG-CZ 4.37Å; K50-F57 PolarHBondContact N-O 2.92Å; K50-F57 WeakPolarHBondContact O-CD1 3.22Å; K50-F57 PolarHBondContact O-N 3.02Å; K50-F57 VanDerWaalsContact O-O 3.14Å
51Q87.3Confident90.9Very high49 Ų4943.6 Ų43.623%0.22921%0.208CC..EExtended strand (participates in β ladder)trans-123136.2177.2-174.5169.5-8.100109.7T30 Q31 L33 R56T30-Q51 CarbonylContact C-O 3.56Å; T30-Q51 VanDerWaalsContact CA-O 3.31Å; T30-Q51 WeakPolarHBondContact CA-O 3.44Å; Q31-Q51 PolarHBondContact N-O 3.03Å; Q31-Q51 PolarHBondContact O-N 3.15Å; L33-Q51 HydrophobicContact CD1-CB 4Å; L33-Q51 HydrophobicContact CD2-CB 4.45Å; L33-Q51 HydrophobicContact CG-CB 4.21Å; Q51-R56 HydrophobicContact CB-CG 4.18Å; Q51-R56 HydrophobicContact CG-CG 4.08Å
52N83.1Confident91.1Very high47 Ų4739 Ų3925%0.25119%0.186SC..EExtended strand (participates in β ladder)trans-133.1-176.1172.367.123.9000110T30 K54 G55 F57T30-N52 HydrophobicContact CG2-CB 3.91Å; N52-K54 PolarHBondContact O-N 3.48Å; N52-K54 VanDerWaalsContact OD1-CA 3.3Å; N52-K54 WeakPolarHBondContact OD1-CA 3.34Å; N52-K54 VanDerWaalsContact OD1-CB 3.29Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 PolarHBondContact OD1-N 2.92Å; N52-G55 PolarHBondContact N-O 3.27Å; N52-G55 PolarHBondContact O-N 3.16Å; N52-G55 PolarHBondContact OD1-N 3.02Å; N52-G55 PolarHBondContact OD1-O 3.19Å; N52-G55 VanDerWaalsContact OD1-O 3.11Å; N52-F57 HydrophobicContact CB-CE1 4.07Å; N52-F57 VanDerWaalsContact ND2-CE1 3.27Å; N52-F57 WeakPolarHBondContact ND2-CE1 3.13Å
53S76.7Confident91.3Very high65 Ų6537.3 Ų37.346%0.45518%0.178SC..THydrogen-bonded Turntrans-62.2-10.1177.5490000115.1
54K74.6Confident91Very high161 Ų16136.4 Ų36.470%0.718%0.177SC*.THydrogen-bonded Turntrans-103.83.8177.4-55.6-173.8171.9-164.60113.1N52N52-K54 PolarHBondContact O-N 3.48Å; N52-K54 VanDerWaalsContact OD1-CA 3.3Å; N52-K54 WeakPolarHBondContact OD1-CA 3.34Å; N52-K54 VanDerWaalsContact OD1-CB 3.29Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 PolarHBondContact OD1-N 2.92Å
55G82.4Confident90Very high9 Ų934 Ų349%0.09318%0.184CC..EExtended strand (participates in β ladder)trans110.4-167.7-177.600000113.7N52N52-G55 PolarHBondContact N-O 3.27Å; N52-G55 PolarHBondContact O-N 3.16Å; N52-G55 PolarHBondContact OD1-N 3.02Å; N52-G55 PolarHBondContact OD1-O 3.19Å; N52-G55 VanDerWaalsContact OD1-O 3.11Å
56R89.6Confident88.9Confident48 Ų4837.8 Ų37.818%0.18122%0.223CC..EExtended strand (participates in β ladder)trans-88.4145.4-177.2-66175176.3167.1-2.3111.8L33 K50 Q51 L76 Y192L33-R56 HydrophobicContact CD1-CG 4.11Å; K50-R56 CarbonylContact O-C 3.6Å; K50-R56 WeakPolarHBondContact O-CA 3.47Å; Q51-R56 HydrophobicContact CB-CG 4.18Å; Q51-R56 HydrophobicContact CG-CG 4.08Å; R56-L76 VanDerWaalsContact C-CD1 3.43Å; R56-L76 HydrophobicContact CB-CD1 3.69Å; R56-L76 HydrophobicContact CB-CD2 4.09Å; R56-L76 HydrophobicContact CB-CG 4.46Å; R56-L76 WeakPolarHBondContact O-CD1 3.29Å; R56-Y192 VanDerWaalsContact CD-O 3.29Å; R56-Y192 WeakPolarHBondContact CD-O 3.31Å; R56-Y192 PolarHBondContact NH1-O 2.86Å
57F93Very high87.9Confident31 Ų3137.1 Ų37.114%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-147.9155.8176.566.3-87.4000111.5T30 K50 N52 K59 T73 L74 L76T30-F57 HydrophobicContact CG2-CZ 4.41Å; K50-F57 HydrophobicContact CB-CD1 4.41Å; K50-F57 HydrophobicContact CB-CD2 4.35Å; K50-F57 HydrophobicContact CB-CE1 3.8Å; K50-F57 HydrophobicContact CB-CE2 3.78Å; K50-F57 HydrophobicContact CB-CZ 3.47Å; K50-F57 VanDerWaalsContact CB-CZ 3.47Å; K50-F57 HydrophobicContact CD-CE2 4.07Å; K50-F57 HydrophobicContact CD-CZ 4.08Å; K50-F57 HydrophobicContact CG-CE2 4.4Å; K50-F57 HydrophobicContact CG-CZ 4.37Å; K50-F57 PolarHBondContact N-O 2.92Å; K50-F57 WeakPolarHBondContact O-CD1 3.22Å; K50-F57 PolarHBondContact O-N 3.02Å; K50-F57 VanDerWaalsContact O-O 3.14Å; N52-F57 HydrophobicContact CB-CE1 4.07Å; N52-F57 VanDerWaalsContact ND2-CE1 3.27Å; N52-F57 WeakPolarHBondContact ND2-CE1 3.13Å; F57-K59 HydrophobicContact CE2-CB 4.45Å; F57-T73 HydrophobicContact CD2-CG2 3.55Å; F57-T73 HydrophobicContact CE2-CG2 4.07Å; F57-T73 HydrophobicContact CG-CG2 4.35Å; F57-L74 CarbonylContact C-O 3.52Å; F57-L74 WeakPolarHBondContact CA-O 3.46Å; F57-L74 VanDerWaalsContact CB-O 3.3Å; F57-L74 WeakPolarHBondContact CB-O 3.29Å; F57-L76 VanDerWaalsContact CA-CD1 3.47Å
58I94.9Very high87.3Confident0 Ų040.8 Ų40.80%026%0.261CS..EExtended strand (participates in β ladder)trans-105.3124.3174.3-52.9-173.6000109L47 D48 V49 I60 T73 L74 L76 A79 L185 L188L47-I58 HydrophobicContact CB-CG2 4.39Å; D48-I58 WeakPolarHBondContact O-CA 3.45Å; V49-I58 HydrophobicContact CG2-CG1 4.26Å; I58-I60 HydrophobicContact CG2-CG1 4.09Å; I58-T73 WeakPolarHBondContact O-CA 3.42Å; I58-L74 PolarHBondContact N-O 3.31Å; I58-L74 PolarHBondContact O-N 2.88Å; I58-L76 HydrophobicContact CD1-CD1 4.48Å; I58-L76 HydrophobicContact CD1-CG 4.45Å; I58-L76 HydrophobicContact CG1-CD1 3.76Å; I58-L76 HydrophobicContact CG1-CG 4.25Å; I58-A79 HydrophobicContact CD1-CB 3.87Å; I58-L185 HydrophobicContact CD1-CD1 3.68Å; I58-L188 HydrophobicContact CD1-CB 4.42Å
59K95.3Very high86.9Confident45 Ų4548.1 Ų48.120%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-99.1116.8170.5-175.3-177178.9-173.60108.6D48 F57D48-K59 HydrophobicContact CB-CB 4.43Å; D48-K59 PolarHBondContact N-O 2.96Å; D48-K59 PolarHBondContact O-N 3.27Å; F57-K59 HydrophobicContact CE2-CB 4.45Å
60I95.5Very high86.6Confident0 Ų049.9 Ų49.90%030%0.304CS..EExtended strand (participates in β ladder)trans-101.5118.7177.1-54.3163.1000107.7Y46 L47 I58 R71 L72 L74 F82 I171 F181Y46-I60 CarbonylContact O-C 3.52Å; Y46-I60 VanDerWaalsContact O-CA 3.28Å; Y46-I60 WeakPolarHBondContact O-CA 3.37Å; L47-I60 HydrophobicContact CG-CG1 4.4Å; I58-I60 HydrophobicContact CG2-CG1 4.09Å; I60-R71 CarbonylContact O-C 3.59Å; I60-R71 VanDerWaalsContact O-CA 3.23Å; I60-R71 WeakPolarHBondContact O-CA 3.43Å; I60-L72 HydrophobicContact CB-CB 4.41Å; I60-L72 HydrophobicContact CD1-CD2 4.44Å; I60-L72 PolarHBondContact N-O 3.27Å; I60-L72 PolarHBondContact O-N 3.24Å; I60-L74 HydrophobicContact CD1-CD1 3.68Å; I60-L74 HydrophobicContact CD1-CG 4.24Å; I60-F82 HydrophobicContact CD1-CE1 4.49Å; I60-I171 HydrophobicContact CB-CD1 4.38Å; I60-I171 HydrophobicContact CD1-CD1 4.39Å; I60-I171 HydrophobicContact CG2-CD1 3.73Å; I60-F181 HydrophobicContact CD1-CE1 4.43Å; I60-F181 HydrophobicContact CD1-CZ 3.99Å; I60-F181 HydrophobicContact CG1-CZ 4.35Å; I60-F181 HydrophobicContact CG2-CE2 4.2Å; I60-F181 HydrophobicContact CG2-CZ 3.9Å
61A94.8Very high86.5Confident22 Ų2254.3 Ų54.318%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-110.9128.6172.200000110.2F45 Y46 S70F45-A61 CarbonylContact C-O 3.46Å; F45-A61 VanDerWaalsContact CA-O 3.25Å; F45-A61 WeakPolarHBondContact CA-O 3.37Å; Y46-A61 PolarHBondContact N-O 3.13Å; Y46-A61 PolarHBondContact O-N 3.41Å; A61-S70 WeakPolarHBondContact CA-O 3.03Å
62E93.9Very high86.8Confident11 Ų1152 Ų525%0.05131%0.31CS..EExtended strand (participates in β ladder)trans-101.6131.7170.8173-169.7162.400108.8K43 F45 K69 S70 I171 A172K43-E62 HydrophobicContact CD-CG 4.25Å; K43-E62 WeakPolarHBondContact CD-OE1 3.48Å; K43-E62 WeakPolarHBondContact CE-OE1 3.31Å; K43-E62 IonicContact NZ-OE1 3.39Å; K43-E62 PolarHBondContact NZ-OE1 3.08Å; F45-E62 HydrophobicContact CD1-CB 3.94Å; F45-E62 HydrophobicContact CD1-CG 4.3Å; F45-E62 HydrophobicContact CE1-CB 3.68Å; F45-E62 HydrophobicContact CE1-CG 3.68Å; F45-E62 HydrophobicContact CZ-CB 4.49Å; F45-E62 HydrophobicContact CZ-CG 4Å; E62-K69 WeakPolarHBondContact O-CA 3.15Å; E62-S70 WeakPolarHBondContact CB-OG 3.33Å; E62-S70 PolarHBondContact N-O 3.5Å; E62-S70 PolarHBondContact O-N 2.86Å; E62-S70 PolarHBondContact OE2-OG 3.02Å; E62-I171 HydrophobicContact CB-CB 4.41Å; E62-I171 HydrophobicContact CB-CG2 4.03Å; E62-I171 WeakPolarHBondContact OE2-CA 3.3Å; E62-I171 WeakPolarHBondContact OE2-CB 3.41Å; E62-A172 PolarHBondContact OE2-N 3.41Å
63V93.1Very high87.2Confident35 Ų3551.3 Ų51.321%0.21231%0.307CS..EExtended strand (participates in β ladder)trans-120.3112.2171.2-173.80000108.2K43 R44 Y46 K69K43-V63 WeakPolarHBondContact CA-O 3.39Å; R44-V63 HydrophobicContact CB-CB 4.38Å; R44-V63 PolarHBondContact N-O 3.41Å; R44-V63 PolarHBondContact O-N 3.18Å; Y46-V63 HydrophobicContact CD2-CG2 4.23Å; Y46-V63 HydrophobicContact CE2-CG2 3.84Å; V63-K69 HydrophobicContact CG1-CG 4.5Å; V63-K69 HydrophobicContact CG2-CG 4.33Å
64G87.4Confident87.9Confident9 Ų948.4 Ų48.49%0.09329%0.286CS..EExtended strand (participates in β ladder)trans-83163.2177.200000113.1G66 G67 S68G64-G66 PolarHBondContact O-N 3Å; G64-G66 VanDerWaalsContact O-N 3.12Å; G64-G67 PolarHBondContact O-N 3.31Å; G64-S68 PolarHBondContact N-O 3.45Å
65A73.6Confident88.7Confident76 Ų7642.6 Ų42.663%0.62827%0.266SS*.THydrogen-bonded Turntrans-55.5-2817900000114.7N42 G67N42-A65 HydrophobicContact CB-CB 4.02Å; N42-A65 WeakPolarHBondContact ND2-CB 3.36Å; N42-A65 PolarHBondContact O-N 2.8Å; A65-G67 VanDerWaalsContact C-N 3.31Å
66G74.4Confident89Confident80 Ų8043.1 Ų43.183%0.82527%0.267SS*.THydrogen-bonded Turntrans-88.713.4177.200000114.6G64 S68G64-G66 PolarHBondContact O-N 3Å; G64-G66 VanDerWaalsContact O-N 3.12Å; G66-S68 PolarHBondContact O-N 3.38Å
67G75.7Confident89Confident50 Ų5043.4 Ų43.452%0.51528%0.276SS..SBendtrans75.93.3-176.200000114.4G64 A65 K69G64-G67 PolarHBondContact O-N 3.31Å; A65-G67 VanDerWaalsContact C-N 3.31Å; G67-K69 PolarHBondContact O-N 3.26Å
68S82.8Confident88.9Confident76 Ų7642 Ų4253%0.53127%0.271SS..  trans-63.6124.4173.862.70000109.7G64 G66G64-S68 PolarHBondContact N-O 3.45Å; G66-S68 PolarHBondContact O-N 3.38Å
69K88.1Confident88.9Confident176 Ų17642 Ų4277%0.76527%0.271SS*.EExtended strand (participates in β ladder)trans-112127.4178.1-63-177.8-176.1176.10109.2E62 V63 G67E62-K69 WeakPolarHBondContact O-CA 3.15Å; V63-K69 HydrophobicContact CG1-CG 4.5Å; V63-K69 HydrophobicContact CG2-CG 4.33Å; G67-K69 PolarHBondContact O-N 3.26Å
70S89.8Confident88.7Confident37 Ų3741.1 Ų41.126%0.25927%0.271SS..EExtended strand (participates in β ladder)trans-129.6159170.8640000110A61 E62 T170A61-S70 WeakPolarHBondContact CA-O 3.03Å; E62-S70 WeakPolarHBondContact CB-OG 3.33Å; E62-S70 PolarHBondContact N-O 3.5Å; E62-S70 PolarHBondContact O-N 2.86Å; E62-S70 PolarHBondContact OE2-OG 3.02Å; S70-T170 WeakPolarHBondContact CB-O 3.44Å; S70-T170 PolarHBondContact OG-O 3.06Å; S70-T170 VanDerWaalsContact OG-O 3.08Å
71R91.2Very high88.6Confident114 Ų11444.1 Ų44.143%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-143.6149.8-175.569.6-178.7-175.8-173.3-0.1111.6I60 Q169I60-R71 CarbonylContact O-C 3.59Å; I60-R71 VanDerWaalsContact O-CA 3.23Å; I60-R71 WeakPolarHBondContact O-CA 3.43Å; R71-Q169 WeakPolarHBondContact O-CA 3.39Å; R71-Q169 WeakPolarHBondContact O-CB 3.5Å
72L92.5Very high88.5Confident0 Ų043.5 Ų43.50%028%0.278CS..EExtended strand (participates in β ladder)trans-135.4145.1173.5-176.164.6000108.5I60 L74 Y131 I146 Q148 Q169 I171I60-L72 HydrophobicContact CB-CB 4.41Å; I60-L72 HydrophobicContact CD1-CD2 4.44Å; I60-L72 PolarHBondContact N-O 3.27Å; I60-L72 PolarHBondContact O-N 3.24Å; L72-L74 HydrophobicContact CD1-CD2 4.24Å; L72-L74 HydrophobicContact CD2-CD1 4.42Å; L72-L74 HydrophobicContact CD2-CD2 3.91Å; L72-L74 HydrophobicContact CD2-CG 4.34Å; L72-L74 HydrophobicContact CG-CD2 3.8Å; L72-L74 HydrophobicContact CG-CG 4.26Å; L72-Y131 HydrophobicContact CD1-CD1 4.35Å; L72-Y131 HydrophobicContact CD1-CE1 4.12Å; L72-I146 HydrophobicContact CD2-CB 4.26Å; L72-I146 HydrophobicContact CD2-CG2 3.5Å; L72-I146 VanDerWaalsContact CD2-CG2 3.5Å; L72-Q148 HydrophobicContact CD1-CB 3.63Å; L72-Q169 HydrophobicContact CD1-CB 4.13Å; L72-I171 HydrophobicContact CB-CD1 4.34Å; L72-I171 HydrophobicContact CB-CG1 4.49Å; L72-I171 HydrophobicContact CB-CG2 4.14Å; L72-I171 HydrophobicContact CD2-CD1 3.9Å; L72-I171 HydrophobicContact CD2-CG1 4.09Å
73T91.7Very high88.6Confident32 Ų3246.4 Ų46.420%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-130.4122.4178-56.70000109.8F57 I58 Y131 Q148F57-T73 HydrophobicContact CD2-CG2 3.55Å; F57-T73 HydrophobicContact CE2-CG2 4.07Å; F57-T73 HydrophobicContact CG-CG2 4.35Å; I58-T73 WeakPolarHBondContact O-CA 3.42Å; T73-Y131 PolarHBondContact O-OH 3.44Å; T73-Q148 PolarHBondContact O-OE1 2.92Å
74L91.8Very high88.6Confident4 Ų448.9 Ų48.92%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-119.9140.5-175-52.5-177.8000109.2F57 I58 I60 L72 V78 A79 F82 Y131F57-L74 CarbonylContact C-O 3.52Å; F57-L74 WeakPolarHBondContact CA-O 3.46Å; F57-L74 VanDerWaalsContact CB-O 3.3Å; F57-L74 WeakPolarHBondContact CB-O 3.29Å; I58-L74 PolarHBondContact N-O 3.31Å; I58-L74 PolarHBondContact O-N 2.88Å; I60-L74 HydrophobicContact CD1-CD1 3.68Å; I60-L74 HydrophobicContact CD1-CG 4.24Å; L72-L74 HydrophobicContact CD1-CD2 4.24Å; L72-L74 HydrophobicContact CD2-CD1 4.42Å; L72-L74 HydrophobicContact CD2-CD2 3.91Å; L72-L74 HydrophobicContact CD2-CG 4.34Å; L72-L74 HydrophobicContact CG-CD2 3.8Å; L72-L74 HydrophobicContact CG-CG 4.26Å; L74-V78 HydrophobicContact CB-CB 4.46Å; L74-V78 HydrophobicContact CB-CG1 4.04Å; L74-V78 HydrophobicContact CD2-CG1 3.8Å; L74-V78 HydrophobicContact CG-CG1 4.33Å; L74-A79 HydrophobicContact CB-CB 4.49Å; L74-F82 HydrophobicContact CD1-CD1 3.69Å; L74-F82 HydrophobicContact CD1-CE1 4.33Å; L74-F82 HydrophobicContact CD1-CG 4.42Å; L74-Y131 HydrophobicContact CD2-CD1 3.86Å; L74-Y131 HydrophobicContact CD2-CE1 3.28Å
75S90.8Very high89Confident40 Ų4051.1 Ų51.128%0.2831%0.307SS..EExtended strand (participates in β ladder)trans-66.5160.2161.259.50000109.4S77 V78 A79S75-S77 PolarHBondContact O-N 2.82Å; S75-S77 PolarHBondContact OG-OG 3.38Å; S75-V78 PolarHBondContact O-N 3.46Å; S75-V78 WeakPolarHBondContact OG-CB 3.29Å; S75-V78 VanDerWaalsContact OG-CG2 3.26Å; S75-V78 WeakPolarHBondContact OG-CG2 3.45Å; S75-V78 PolarHBondContact OG-N 3.42Å; S75-A79 WeakPolarHBondContact O-CB 3.23Å; S75-A79 PolarHBondContact O-N 2.8Å
76L90.1Very high90Very high19 Ų1947.5 Ų47.510%0.09928%0.277CS..Hα-helixtrans-63.7-33.8176.9-9169.3000112R56 F57 I58 A79 A80 Y192 G193R56-L76 VanDerWaalsContact C-CD1 3.43Å; R56-L76 HydrophobicContact CB-CD1 3.69Å; R56-L76 HydrophobicContact CB-CD2 4.09Å; R56-L76 HydrophobicContact CB-CG 4.46Å; R56-L76 WeakPolarHBondContact O-CD1 3.29Å; F57-L76 VanDerWaalsContact CA-CD1 3.47Å; I58-L76 HydrophobicContact CD1-CD1 4.48Å; I58-L76 HydrophobicContact CD1-CG 4.45Å; I58-L76 HydrophobicContact CG1-CD1 3.76Å; I58-L76 HydrophobicContact CG1-CG 4.25Å; L76-A79 WeakPolarHBondContact O-CB 3.37Å; L76-A79 PolarHBondContact O-N 2.94Å; L76-A80 PolarHBondContact O-N 3.18Å; L76-Y192 WeakPolarHBondContact CD2-O 3.46Å; L76-G193 VanDerWaalsContact CD2-CA 3.49Å
77S88.5Confident90.9Very high55 Ų5544.4 Ų44.439%0.38525%0.245SC..Hα-helixtrans-58.6-48.8171.648.20000112.7S75 A79 A80 E81S75-S77 PolarHBondContact O-N 2.82Å; S75-S77 PolarHBondContact OG-OG 3.38Å; S77-A79 VanDerWaalsContact C-N 3.28Å; S77-A79 PolarHBondContact O-N 3.36Å; S77-A80 WeakPolarHBondContact O-CB 3.31Å; S77-A80 PolarHBondContact O-N 3.22Å; S77-E81 PolarHBondContact O-N 3.07Å
78V91.8Very high91.8Very high2 Ų245.2 Ų45.21%0.01224%0.237CC..Hα-helixtrans-65.6-33.9175.8164.80000111.3L74 S75 A80 F82 L124 R126 Y131L74-V78 HydrophobicContact CB-CB 4.46Å; L74-V78 HydrophobicContact CB-CG1 4.04Å; L74-V78 HydrophobicContact CD2-CG1 3.8Å; L74-V78 HydrophobicContact CG-CG1 4.33Å; S75-V78 PolarHBondContact O-N 3.46Å; S75-V78 WeakPolarHBondContact OG-CB 3.29Å; S75-V78 VanDerWaalsContact OG-CG2 3.26Å; S75-V78 WeakPolarHBondContact OG-CG2 3.45Å; S75-V78 PolarHBondContact OG-N 3.42Å; V78-A80 VanDerWaalsContact C-N 3.34Å; V78-F82 VanDerWaalsContact O-CB 3.24Å; V78-F82 WeakPolarHBondContact O-CB 3.38Å; V78-F82 PolarHBondContact O-N 2.94Å; V78-L124 HydrophobicContact CB-CD2 4.3Å; V78-L124 HydrophobicContact CG1-CD2 3.66Å; V78-L124 HydrophobicContact CG2-CD2 4.29Å; V78-R126 HydrophobicContact CG2-CB 3.65Å; V78-R126 HydrophobicContact CG2-CG 3.65Å; V78-Y131 HydrophobicContact CG1-CD2 4.35Å; V78-Y131 HydrophobicContact CG1-CE2 4Å; V78-Y131 HydrophobicContact CG2-CE2 4.41Å
79A93.4Very high92.4Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-65.7-36.317600000112.1I58 L74 S75 L76 S77 F82 R83 L185 I189I58-A79 HydrophobicContact CD1-CB 3.87Å; L74-A79 HydrophobicContact CB-CB 4.49Å; S75-A79 WeakPolarHBondContact O-CB 3.23Å; S75-A79 PolarHBondContact O-N 2.8Å; L76-A79 WeakPolarHBondContact O-CB 3.37Å; L76-A79 PolarHBondContact O-N 2.94Å; S77-A79 VanDerWaalsContact C-N 3.28Å; S77-A79 PolarHBondContact O-N 3.36Å; A79-F82 PolarHBondContact O-N 3.34Å; A79-R83 WeakPolarHBondContact O-CB 3.46Å; A79-R83 PolarHBondContact O-N 3.48Å; A79-L185 HydrophobicContact CB-CD1 4.17Å; A79-L185 WeakPolarHBondContact O-CD2 3.36Å; A79-I189 HydrophobicContact CB-CD1 4.13Å; A79-I189 HydrophobicContact CB-CG1 4.34Å
80A91.8Very high92.7Very high26 Ų2634.1 Ų34.122%0.21518%0.181CC..Hα-helixtrans-63.9-49.917500000111.9L76 S77 V78 F82 R83 D84 I189L76-A80 PolarHBondContact O-N 3.18Å; S77-A80 WeakPolarHBondContact O-CB 3.31Å; S77-A80 PolarHBondContact O-N 3.22Å; V78-A80 VanDerWaalsContact C-N 3.34Å; A80-F82 PolarHBondContact O-N 2.89Å; A80-R83 WeakPolarHBondContact O-CB 3.43Å; A80-R83 PolarHBondContact O-N 3.12Å; A80-R83 VanDerWaalsContact O-N 3.09Å; A80-D84 PolarHBondContact O-N 3.4Å; A80-I189 HydrophobicContact CB-CD1 4.35Å; A80-I189 HydrophobicContact CB-CG2 4.47Å
81E92.9Very high92.9Very high63 Ų6338.4 Ų38.429%0.29420%0.196SC..Hα-helixtrans-60.3-39.2174.7-62.9-177.4-10800111S77 R83 D84 Y85 L124S77-E81 PolarHBondContact O-N 3.07Å; E81-R83 PolarHBondContact O-N 3.04Å; E81-D84 PolarHBondContact O-N 3.38Å; E81-Y85 WeakPolarHBondContact O-CD2 3.36Å; E81-Y85 PolarHBondContact O-N 3.43Å; E81-L124 HydrophobicContact CB-CD1 4.23Å; E81-L124 HydrophobicContact CB-CD2 4.17Å; E81-L124 WeakPolarHBondContact OE2-CD1 3.44Å
82F93.8Very high93Very high8 Ų835.2 Ų35.24%0.03519%0.186CC..Hα-helixtrans-63.8-38.3175.7179.1-138000112.9I60 L74 V78 A79 A80 D84 Y85 L86 L133 L144 I146 F181 L185I60-F82 HydrophobicContact CD1-CE1 4.49Å; L74-F82 HydrophobicContact CD1-CD1 3.69Å; L74-F82 HydrophobicContact CD1-CE1 4.33Å; L74-F82 HydrophobicContact CD1-CG 4.42Å; V78-F82 VanDerWaalsContact O-CB 3.24Å; V78-F82 WeakPolarHBondContact O-CB 3.38Å; V78-F82 PolarHBondContact O-N 2.94Å; A79-F82 PolarHBondContact O-N 3.34Å; A80-F82 PolarHBondContact O-N 2.89Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 2.81Å; F82-Y85 PolarHBondContact O-N 3.02Å; F82-L86 HydrophobicContact CD1-CD1 4.47Å; F82-L86 HydrophobicContact CD2-CD1 4.48Å; F82-L86 HydrophobicContact CD2-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 4.06Å; F82-L86 HydrophobicContact CE2-CD1 4.07Å; F82-L86 HydrophobicContact CE2-CD2 3.74Å; F82-L86 HydrophobicContact CE2-CG 3.68Å; F82-L86 HydrophobicContact CZ-CD1 3.82Å; F82-L86 HydrophobicContact CZ-CD2 3.88Å; F82-L86 HydrophobicContact CZ-CG 3.92Å; F82-L86 WeakPolarHBondContact O-CG 3.43Å; F82-L86 PolarHBondContact O-N 2.93Å; F82-L133 HydrophobicContact CD2-CD2 3.52Å; F82-L133 HydrophobicContact CE2-CD2 3.56Å; F82-L144 HydrophobicContact CE2-CD2 4.46Å; F82-I146 HydrophobicContact CE1-CD1 4.25Å; F82-I146 HydrophobicContact CE2-CD1 3.79Å; F82-I146 HydrophobicContact CE2-CG1 4.1Å; F82-I146 HydrophobicContact CZ-CD1 3.32Å; F82-I146 HydrophobicContact CZ-CG1 4.11Å; F82-F181 HydrophobicContact CE1-CD1 4.48Å; F82-F181 AromaticContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CZ-CE1 4.35Å; F82-L185 HydrophobicContact CD1-CD2 3.6Å; F82-L185 HydrophobicContact CE1-CD2 4.14Å; F82-L185 HydrophobicContact CG-CD2 4.33Å
83R94.9Very high93Very high73 Ų7338.4 Ų38.428%0.27520%0.199SC..Hα-helixtrans-58.7-41.2174177.9-84.1-61.8-94.3-1.6111.1A79 A80 E81 L86 G87 R182 L185 A186 I189A79-R83 WeakPolarHBondContact O-CB 3.46Å; A79-R83 PolarHBondContact O-N 3.48Å; A80-R83 WeakPolarHBondContact O-CB 3.43Å; A80-R83 PolarHBondContact O-N 3.12Å; A80-R83 VanDerWaalsContact O-N 3.09Å; E81-R83 PolarHBondContact O-N 3.04Å; R83-L86 WeakPolarHBondContact O-CB 3.46Å; R83-L86 PolarHBondContact O-N 3.07Å; R83-G87 PolarHBondContact O-N 3.05Å; R83-R182 HydrophobicContact CG-CG 4.1Å; R83-L185 HydrophobicContact CB-CD2 4.09Å; R83-A186 HydrophobicContact CG-CB 4.09Å; R83-I189 HydrophobicContact CB-CD1 4.1Å
84D93.9Very high93Very high86 Ų8640.7 Ų40.746%0.4622%0.221SC..Hα-helixtrans-69.4-47.3-179.1-59.1-21000110.6A80 E81 F82 L86 G87 D88A80-D84 PolarHBondContact O-N 3.4Å; E81-D84 PolarHBondContact O-N 3.38Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 2.81Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 2.95Å; D84-G87 WeakPolarHBondContact O-CA 3.5Å; D84-G87 PolarHBondContact O-N 3.49Å; D84-D88 PolarHBondContact O-N 2.83Å
85Y94.6Very high93Very high57 Ų5747.7 Ų47.722%0.22425%0.254CS..Hα-helixtrans-58.4-36.9174-75.2-58.8000112.9E81 F82 G87 D88 F89 E122 L124E81-Y85 WeakPolarHBondContact O-CD2 3.36Å; E81-Y85 PolarHBondContact O-N 3.43Å; F82-Y85 PolarHBondContact O-N 3.02Å; Y85-G87 PolarHBondContact O-N 2.82Å; Y85-D88 PolarHBondContact O-N 3.1Å; Y85-D88 VanDerWaalsContact O-N 3.16Å; Y85-F89 WeakPolarHBondContact O-CD2 3.42Å; Y85-F89 PolarHBondContact O-N 3.32Å; Y85-E122 HydrophobicContact CD1-CB 4.16Å; Y85-E122 HydrophobicContact CD1-CG 4.03Å; Y85-E122 HydrophobicContact CE1-CB 4.27Å; Y85-E122 HydrophobicContact CE1-CG 4.24Å; Y85-L124 HydrophobicContact CE2-CB 4.29Å
86L94.9Very high92.7Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-58.9-36.5174.4-75.7173.7000111.5F82 R83 D84 F89 I90 L144 L178 F181 R182 L185F82-L86 HydrophobicContact CD1-CD1 4.47Å; F82-L86 HydrophobicContact CD2-CD1 4.48Å; F82-L86 HydrophobicContact CD2-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 4.06Å; F82-L86 HydrophobicContact CE2-CD1 4.07Å; F82-L86 HydrophobicContact CE2-CD2 3.74Å; F82-L86 HydrophobicContact CE2-CG 3.68Å; F82-L86 HydrophobicContact CZ-CD1 3.82Å; F82-L86 HydrophobicContact CZ-CD2 3.88Å; F82-L86 HydrophobicContact CZ-CG 3.92Å; F82-L86 WeakPolarHBondContact O-CG 3.43Å; F82-L86 PolarHBondContact O-N 2.93Å; R83-L86 WeakPolarHBondContact O-CB 3.46Å; R83-L86 PolarHBondContact O-N 3.07Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 2.95Å; L86-F89 PolarHBondContact O-N 2.84Å; L86-I90 WeakPolarHBondContact O-CB 3.33Å; L86-I90 VanDerWaalsContact O-CD1 3.25Å; L86-I90 WeakPolarHBondContact O-CD1 3.04Å; L86-I90 WeakPolarHBondContact O-CG1 3.01Å; L86-I90 PolarHBondContact O-N 2.79Å; L86-L144 HydrophobicContact CD2-CD2 3.54Å; L86-L178 HydrophobicContact CD2-CD2 3.65Å; L86-F181 HydrophobicContact CD1-CD1 3.86Å; L86-R182 HydrophobicContact CB-CB 4.11Å; L86-R182 HydrophobicContact CB-CG 4.18Å; L86-R182 HydrophobicContact CD1-CB 4.14Å; L86-L185 HydrophobicContact CD1-CD2 4.35Å
87G93.6Very high92.2Very high14 Ų1449.2 Ų49.214%0.14427%0.268CS..Hα-helixtrans-55.3-53.4171.100000111.9R83 D84 Y85 F89 I90 E91R83-G87 PolarHBondContact O-N 3.05Å; D84-G87 WeakPolarHBondContact O-CA 3.5Å; D84-G87 PolarHBondContact O-N 3.49Å; Y85-G87 PolarHBondContact O-N 2.82Å; G87-F89 VanDerWaalsContact C-N 3.26Å; G87-F89 PolarHBondContact O-N 2.89Å; G87-I90 WeakPolarHBondContact O-CB 3.28Å; G87-I90 PolarHBondContact O-N 3.02Å; G87-E91 PolarHBondContact O-N 2.97Å
88D94.9Very high91.9Very high67 Ų6752.8 Ų52.836%0.35829%0.29SS..Hα-helixtrans-63-31.7-179.8-58.2-21.8000113.2D84 Y85 H92 K120D84-D88 PolarHBondContact O-N 2.83Å; Y85-D88 PolarHBondContact O-N 3.1Å; Y85-D88 VanDerWaalsContact O-N 3.16Å; D88-H92 WeakPolarHBondContact O-CB 3.42Å; D88-H92 PolarHBondContact O-N 2.92Å; D88-K120 PolarHBondContact O-NZ 2.97Å
89F95Very high91.2Very high0 Ų054.4 Ų54.40%030%0.301CS..Hα-helixtrans-73.8-36.6174.6-81.4-69.5000112.1Y85 L86 G87 Y93 K120 E122 L133 L135 L144Y85-F89 WeakPolarHBondContact O-CD2 3.42Å; Y85-F89 PolarHBondContact O-N 3.32Å; L86-F89 PolarHBondContact O-N 2.84Å; G87-F89 VanDerWaalsContact C-N 3.26Å; G87-F89 PolarHBondContact O-N 2.89Å; F89-Y93 VanDerWaalsContact O-CB 3.23Å; F89-Y93 WeakPolarHBondContact O-CB 3.47Å; F89-Y93 PolarHBondContact O-N 2.81Å; F89-K120 HydrophobicContact CD1-CB 4.16Å; F89-K120 HydrophobicContact CD1-CD 3.86Å; F89-K120 HydrophobicContact CD1-CG 4.05Å; F89-K120 HydrophobicContact CE1-CB 3.73Å; F89-K120 HydrophobicContact CE1-CD 3.85Å; F89-K120 HydrophobicContact CE1-CG 3.54Å; F89-K120 HydrophobicContact CZ-CG 4.24Å; F89-E122 HydrophobicContact CE2-CB 4.02Å; F89-E122 HydrophobicContact CE2-CG 3.93Å; F89-E122 HydrophobicContact CZ-CB 3.93Å; F89-E122 HydrophobicContact CZ-CG 3.78Å; F89-L133 HydrophobicContact CE2-CB 3.77Å; F89-L133 HydrophobicContact CE2-CD2 4.02Å; F89-L133 HydrophobicContact CZ-CB 3.88Å; F89-L135 HydrophobicContact CD1-CB 3.78Å; F89-L135 HydrophobicContact CD1-CD2 4.36Å; F89-L135 HydrophobicContact CE1-CB 3.78Å; F89-L144 HydrophobicContact CD1-CD1 3.91Å; F89-L144 HydrophobicContact CD2-CD1 4.07Å; F89-L144 HydrophobicContact CD2-CD2 4.19Å; F89-L144 HydrophobicContact CE1-CD1 3.77Å; F89-L144 HydrophobicContact CE2-CD1 3.99Å; F89-L144 HydrophobicContact CG-CD1 4.06Å; F89-L144 HydrophobicContact CG-CD2 4.45Å; F89-L144 HydrophobicContact CZ-CD1 3.84Å
90I94.6Very high90.4Very high20 Ų2057.2 Ų57.210%0.10332%0.319CS..Hα-helixtrans-64.7-46.1176.2-71.1157.5000110.1L86 G87 H92 Y93 A94 L178 I179 R182L86-I90 WeakPolarHBondContact O-CB 3.33Å; L86-I90 VanDerWaalsContact O-CD1 3.25Å; L86-I90 WeakPolarHBondContact O-CD1 3.04Å; L86-I90 WeakPolarHBondContact O-CG1 3.01Å; L86-I90 PolarHBondContact O-N 2.79Å; G87-I90 WeakPolarHBondContact O-CB 3.28Å; G87-I90 PolarHBondContact O-N 3.02Å; I90-H92 PolarHBondContact O-N 2.96Å; I90-Y93 PolarHBondContact O-N 2.87Å; I90-A94 PolarHBondContact O-N 2.94Å; I90-L178 HydrophobicContact CD1-CB 4.15Å; I90-L178 HydrophobicContact CG1-CB 3.61Å; I90-L178 HydrophobicContact CG1-CD1 4.47Å; I90-I179 HydrophobicContact CD1-CB 4.48Å; I90-I179 HydrophobicContact CD1-CG1 3.88Å; I90-I179 HydrophobicContact CG1-CG1 4.06Å; I90-I179 HydrophobicContact CG2-CD1 4.17Å; I90-I179 HydrophobicContact CG2-CG1 3.83Å; I90-R182 HydrophobicContact CD1-CB 4.15Å
91E95Very high89.4Confident126 Ų12661.3 Ų61.359%0.58934%0.343SS*.Hα-helixtrans-60.4-46.9177.5-70.6-178.6-176.400111.7G87 Y93 A94 Q95G87-E91 PolarHBondContact O-N 2.97Å; E91-Y93 PolarHBondContact O-N 2.9Å; E91-A94 PolarHBondContact O-N 3.02Å; E91-Q95 WeakPolarHBondContact O-CG 3.29Å; E91-Q95 PolarHBondContact O-N 2.91Å
92H92.9Very high88.5Confident48 Ų4865.1 Ų65.122%0.22236%0.361CS..Hα-helixtrans-62.8-42.5175.7-174.369000111.6D88 I90 A94 Q95 L96 K120D88-H92 WeakPolarHBondContact O-CB 3.42Å; D88-H92 PolarHBondContact O-N 2.92Å; I90-H92 PolarHBondContact O-N 2.96Å; H92-A94 VanDerWaalsContact C-N 3.31Å; H92-A94 PolarHBondContact O-N 2.92Å; H92-Q95 PolarHBondContact O-N 3.31Å; H92-Q95 VanDerWaalsContact O-N 3.12Å; H92-L96 WeakPolarHBondContact O-CG 3.49Å; H92-L96 PolarHBondContact O-N 3.05Å; H92-K120 HydrophobicContact CB-CD 3.91Å
93Y92.4Very high87.4Confident66 Ų6669.1 Ų69.126%0.25938%0.379SS..Hα-helixtrans-60.6-38.9177.4175-112.8000112.8F89 I90 E91 Q95 L96 R142 A175F89-Y93 VanDerWaalsContact O-CB 3.23Å; F89-Y93 WeakPolarHBondContact O-CB 3.47Å; F89-Y93 PolarHBondContact O-N 2.81Å; I90-Y93 PolarHBondContact O-N 2.87Å; E91-Y93 PolarHBondContact O-N 2.9Å; Y93-Q95 PolarHBondContact O-N 2.92Å; Y93-L96 PolarHBondContact O-N 2.85Å; Y93-R142 HydrophobicContact CE2-CB 4.15Å; Y93-R142 HydrophobicContact CE2-CG 4.46Å; Y93-A175 HydrophobicContact CD1-CB 4.43Å; Y93-A175 HydrophobicContact CD2-CB 3.8Å; Y93-A175 HydrophobicContact CE1-CB 4.24Å; Y93-A175 HydrophobicContact CE2-CB 3.6Å; Y93-A175 HydrophobicContact CG-CB 4.22Å
94A91.6Very high86.4Confident81 Ų8168 Ų6867%0.66938%0.379SS*.Hα-helixtrans-63.5-27.9176.700000112.9I90 E91 H92I90-A94 PolarHBondContact O-N 2.94Å; E91-A94 PolarHBondContact O-N 3.02Å; H92-A94 VanDerWaalsContact C-N 3.31Å; H92-A94 PolarHBondContact O-N 2.92Å
95Q91Very high85.2Confident151 Ų15166.7 Ų66.771%0.70638%0.379SS*.Hα-helixtrans-83-19.6179.2-65.5170.56.900113.7E91 H92 Y93 G97E91-Q95 WeakPolarHBondContact O-CG 3.29Å; E91-Q95 PolarHBondContact O-N 2.91Å; H92-Q95 PolarHBondContact O-N 3.31Å; H92-Q95 VanDerWaalsContact O-N 3.12Å; Y93-Q95 PolarHBondContact O-N 2.92Å; Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 2.97Å
96L85Confident84Confident50 Ų5071.1 Ų71.126%0.26240%0.402SS..SBendtrans-76-3-168.3-77.6172.4000115.3H92 Y93 L119 L135 R142H92-L96 WeakPolarHBondContact O-CG 3.49Å; H92-L96 PolarHBondContact O-N 3.05Å; Y93-L96 PolarHBondContact O-N 2.85Å; L96-L119 HydrophobicContact CD1-CB 4.44Å; L96-L119 HydrophobicContact CD1-CD1 3.93Å; L96-L135 HydrophobicContact CD1-CD2 4.05Å; L96-R142 PolarHBondContact O-NH2 3.34Å; L96-R142 VanDerWaalsContact O-NH2 3.07Å
97G80.3Confident82.6Confident41 Ų4173.1 Ų73.142%0.42342%0.419SS..  trans54-174.9178.600000114.9Q95 R142Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 2.97Å; G97-R142 PolarHBondContact O-NH1 2.83Å; G97-R142 PolarHBondContact O-NH2 3.32Å
98P81Confident81.1Confident130 Ų13075.1 Ų75.184%0.84443%0.428SS*.SBendtrans-71.4135.6169.828.4-31000110.6
99S77Confident79.4Confident35 Ų3575.6 Ų75.625%0.24544%0.441CS..PPolyproline II helixtrans-74.5139.5179-510000112E137 R142S99-E137 WeakPolarHBondContact CB-OE1 3.23Å; S99-E137 PolarHBondContact OG-OE1 2.79Å; S99-E137 PolarHBondContact OG-OE2 2.67Å; S99-R142 PolarHBondContact OG-NE 3.35Å; S99-R142 PolarHBondContact OG-NH2 3.25Å
100T77.1Confident77.5Confident60 Ų6077.6 Ų77.637%0.36846%0.462SS..PPolyproline II helixtrans-77.7151.7171.466.50000110.9E102 Q103 I104T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 VanDerWaalsContact O-N 3.16Å; T100-Q103 WeakPolarHBondContact O-CB 3.5Å; T100-Q103 PolarHBondContact O-N 3.32Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.3Å; T100-Q103 PolarHBondContact OG1-N 3.11Å; T100-Q103 PolarHBondContact OG1-OE1 3.07Å; T100-I104 PolarHBondContact O-N 3.05Å; T100-I104 VanDerWaalsContact O-N 3.13Å
101P71.7Confident75.2Confident111 Ų11185.4 Ų85.472%0.72150%0.498SS*.Hα-helixtrans-55.3-32.4176.3-27.235.6000113.6I104 A105P101-I104 PolarHBondContact O-N 3.3Å; P101-A105 WeakPolarHBondContact O-CB 3.41Å; P101-A105 PolarHBondContact O-N 3.06Å
102E72.4Confident72.6Confident144 Ų14487.3 Ų87.367%0.67351%0.512SS*.Hα-helixtrans-66.4-40.4175.7-66.3172.2179.400112.4T100 A105 Q106T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 VanDerWaalsContact O-N 3.16Å; E102-A105 PolarHBondContact O-N 2.8Å; E102-Q106 WeakPolarHBondContact O-CB 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.33Å; E102-Q106 PolarHBondContact O-N 2.82Å
103Q72.6Confident70.1Confident91 Ų9189.1 Ų89.143%0.42554%0.544SS..Hα-helixtrans-66.2-40.1175.8-72.4167.5-16.200111.4T100 A105 Q106 A107T100-Q103 WeakPolarHBondContact O-CB 3.5Å; T100-Q103 PolarHBondContact O-N 3.32Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.3Å; T100-Q103 PolarHBondContact OG1-N 3.11Å; T100-Q103 PolarHBondContact OG1-OE1 3.07Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; Q103-Q106 PolarHBondContact O-N 3.27Å; Q103-A107 VanDerWaalsContact O-CB 3.26Å; Q103-A107 WeakPolarHBondContact O-CB 3.37Å; Q103-A107 PolarHBondContact O-N 3.02Å
104I72Confident67.6Low51 Ų5188.1 Ų88.126%0.26255%0.554SS.*Hα-helixtrans-64.5-43175.2-61.6169.5000110T100 P101 A107 T108 Q139T100-I104 PolarHBondContact O-N 3.05Å; T100-I104 VanDerWaalsContact O-N 3.13Å; P101-I104 PolarHBondContact O-N 3.3Å; I104-A107 PolarHBondContact O-N 3.17Å; I104-T108 VanDerWaalsContact O-CB 3.29Å; I104-T108 WeakPolarHBondContact O-CB 3.5Å; I104-T108 PolarHBondContact O-N 3.23Å; I104-T108 PolarHBondContact O-OG1 3.2Å; I104-Q139 HydrophobicContact CG2-CG 4.34Å
105A69.6Low65.3Low57 Ų5790.4 Ų90.447%0.47156%0.562SS.*Hα-helixtrans-63-46.1176.600000111.5P101 E102 Q103 A107 T108 A109P101-A105 WeakPolarHBondContact O-CB 3.41Å; P101-A105 PolarHBondContact O-N 3.06Å; E102-A105 PolarHBondContact O-N 2.8Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; A105-A107 PolarHBondContact O-N 3.09Å; A105-T108 PolarHBondContact O-N 2.94Å; A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 3.23Å
106Q68.4Low63.9Low151 Ų15191.6 Ų91.671%0.70656%0.56SS**Hα-helixtrans-63.8-38.1175.8-74.1174.96.200112.8E102 Q103 T108E102-Q106 WeakPolarHBondContact O-CB 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.33Å; E102-Q106 PolarHBondContact O-N 2.82Å; Q103-Q106 PolarHBondContact O-N 3.27Å; Q106-T108 VanDerWaalsContact C-N 3.29Å; Q106-T108 PolarHBondContact O-N 3.31Å
107A66.2Low63.2Low42 Ų42100.7 Ų100.735%0.34759%0.591SS.*Hα-helixtrans-69.5-28175.900000112.7Q103 I104 A105 E137Q103-A107 VanDerWaalsContact O-CB 3.26Å; Q103-A107 WeakPolarHBondContact O-CB 3.37Å; Q103-A107 PolarHBondContact O-N 3.02Å; I104-A107 PolarHBondContact O-N 3.17Å; A105-A107 PolarHBondContact O-N 3.09Å; A107-E137 HydrophobicContact CB-CB 4.44Å
108T62.5Low63.3Low55 Ų5599.8 Ų99.834%0.33758%0.579SS.*Hα-helixtrans-92.9-32.9-177.8-480000112.9I104 A105 Q106 G110 Q139I104-T108 VanDerWaalsContact O-CB 3.29Å; I104-T108 WeakPolarHBondContact O-CB 3.5Å; I104-T108 PolarHBondContact O-N 3.23Å; I104-T108 PolarHBondContact O-OG1 3.2Å; A105-T108 PolarHBondContact O-N 2.94Å; Q106-T108 VanDerWaalsContact C-N 3.29Å; Q106-T108 PolarHBondContact O-N 3.31Å; T108-G110 VanDerWaalsContact C-N 3.26Å; T108-G110 PolarHBondContact O-N 3.41Å; T108-Q139 HydrophobicContact CG2-CG 4.07Å
109A59.3Low63.6Low77 Ų7796.9 Ų96.964%0.63656%0.556SS**  trans-78.62.9-174.800000115A105 E111A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 3.23Å; A109-E111 PolarHBondContact O-N 2.84Å
110G53.9Low64.3Low42 Ų4297.3 Ų97.343%0.43355%0.553SS.*THydrogen-bonded Turntrans-71.947.2172.200000113.6T108T108-G110 VanDerWaalsContact C-N 3.26Å; T108-G110 PolarHBondContact O-N 3.41Å
111E46.8Very low65.1Low185 Ų18597.6 Ų97.686%0.86456%0.558SS**THydrogen-bonded Turntrans-73.3-25.2178.2-106.8-175.7152.700112.7A109 G113A109-E111 PolarHBondContact O-N 2.84Å; E111-G113 PolarHBondContact O-N 3.38Å
112D41.3Very low66.1Low165 Ų16595.3 Ų95.388%0.88254%0.537SS*.SBendtrans-90.982.1177.1-78.1-31.4000112.4G114D112-G114 PolarHBondContact O-N 3.19Å
113G40.7Very low66.9Low86 Ų8693.8 Ų93.889%0.88753%0.529SS*.SBendtrans66.1-6.1149.800000119.9E111E111-G113 PolarHBondContact O-N 3.38Å
114G38.4Very low67.7Low45 Ų4589.8 Ų89.846%0.46451%0.51SS..SBendtrans-85150.1176.900000113.3D112 R116D112-G114 PolarHBondContact O-N 3.19Å; G114-R116 PolarHBondContact O-N 2.8Å
115P44Very low68.3Low129 Ų12991.1 Ų91.184%0.83852%0.521SS*.  trans-63.6110.5175.525.4-30.9000109.2R117P115-R117 PolarHBondContact O-N 3.24Å
116R61.5Low68.9Low177 Ų17794 Ų9467%0.66852%0.519SS*.  trans-39.4105171.8-68.3-176.3-175.7144.23.7109.6G114 A118 K136G114-R116 PolarHBondContact O-N 2.8Å; R116-A118 PolarHBondContact O-N 3Å; R116-A118 VanDerWaalsContact O-N 3.09Å; R116-K136 PolarHBondContact O-NZ 2.9Å
117R70.3Confident69.4Low241 Ų24194.6 Ų94.691%0.90952%0.522SS*.  trans-64.1114.1-168.1-164.1174.1-177.8-179.30.1108.1P115P115-R117 PolarHBondContact O-N 3.24Å
118A83.1Confident70.1Confident21 Ų2196.6 Ų96.617%0.17453%0.527CS..  trans-66.4142.6171.900000108.4R116 K120 S121 D134 L135 K136R116-A118 PolarHBondContact O-N 3Å; R116-A118 VanDerWaalsContact O-N 3.09Å; A118-K120 VanDerWaalsContact C-N 3.27Å; A118-S121 WeakPolarHBondContact CB-OG 3.21Å; A118-D134 HydrophobicContact CB-CB 3.94Å; A118-L135 CarbonylContact C-O 3.6Å; A118-L135 WeakPolarHBondContact CA-O 3.37Å; A118-L135 WeakPolarHBondContact CB-O 3.36Å; A118-K136 HydrophobicContact CB-CG 4.36Å
119L87.5Confident71.2Confident69 Ų6998 Ų9836%0.36153%0.526SS..SBendtrans-63.9-39.2171.4-62.5174.7000110.2L96 L135 E137 R142L96-L119 HydrophobicContact CD1-CB 4.44Å; L96-L119 HydrophobicContact CD1-CD1 3.93Å; L119-L135 HydrophobicContact CB-CD2 4.36Å; L119-L135 HydrophobicContact CB-CG 4.36Å; L119-L135 HydrophobicContact CD1-CG 4.45Å; L119-L135 PolarHBondContact N-O 3.08Å; L119-E137 HydrophobicContact CD1-CB 4.04Å; L119-R142 HydrophobicContact CD1-CG 4.25Å
120K91.1Very high72.7Confident45 Ų4596.5 Ų96.520%0.19651%0.505CS..EExtended strand (participates in β ladder)trans-146139171-179.5172174.4169.90108.7D88 F89 H92 A118 L135D88-K120 PolarHBondContact O-NZ 2.97Å; F89-K120 HydrophobicContact CD1-CB 4.16Å; F89-K120 HydrophobicContact CD1-CD 3.86Å; F89-K120 HydrophobicContact CD1-CG 4.05Å; F89-K120 HydrophobicContact CE1-CB 3.73Å; F89-K120 HydrophobicContact CE1-CD 3.85Å; F89-K120 HydrophobicContact CE1-CG 3.54Å; F89-K120 HydrophobicContact CZ-CG 4.24Å; H92-K120 HydrophobicContact CB-CD 3.91Å; A118-K120 VanDerWaalsContact C-N 3.27Å; K120-L135 HydrophobicContact CB-CB 4.33Å; K120-L135 PolarHBondContact O-N 3.34Å
121S92.9Very high74.5Confident65 Ų6594.9 Ų94.946%0.45549%0.486SS..EExtended strand (participates in β ladder)trans-129.1132.1175.7-79.40000109.9A118 L133 D134A118-S121 WeakPolarHBondContact CB-OG 3.21Å; S121-L133 CarbonylContact C-O 3.46Å; S121-L133 VanDerWaalsContact CA-O 3.28Å; S121-L133 WeakPolarHBondContact CA-O 3.31Å; S121-D134 PolarHBondContact OG-OD1 3.07Å
122E93.1Very high76.7Confident63 Ų6389.1 Ų89.129%0.29446%0.457SS..EExtended strand (participates in β ladder)trans-126.3160.2170.5-68-60.415900109.5Y85 F89 L133Y85-E122 HydrophobicContact CD1-CB 4.16Å; Y85-E122 HydrophobicContact CD1-CG 4.03Å; Y85-E122 HydrophobicContact CE1-CB 4.27Å; Y85-E122 HydrophobicContact CE1-CG 4.24Å; F89-E122 HydrophobicContact CE2-CB 4.02Å; F89-E122 HydrophobicContact CE2-CG 3.93Å; F89-E122 HydrophobicContact CZ-CB 3.93Å; F89-E122 HydrophobicContact CZ-CG 3.78Å; E122-L133 HydrophobicContact CB-CB 4.34Å; E122-L133 PolarHBondContact N-O 3.06Å; E122-L133 PolarHBondContact O-N 3.42Å
123F90.7Very high79.3Confident112 Ų11281.5 Ų81.549%0.49142%0.416SS..EExtended strand (participates in β ladder)trans-141.4147170.570.4-90000111.7V125 K130 Y131 Y132F123-V125 HydrophobicContact CD2-CG2 3.92Å; F123-V125 HydrophobicContact CE2-CG2 4.06Å; F123-K130 HydrophobicContact CD2-CD 4.49Å; F123-K130 VanDerWaalsContact CD2-CE 3.47Å; F123-Y131 CarbonylContact C-O 3.54Å; F123-Y131 WeakPolarHBondContact CA-O 3.35Å; F123-Y131 WeakPolarHBondContact CB-O 3.47Å; F123-Y132 HydrophobicContact CB-CD1 4.34Å
124L87.4Confident81.8Confident8 Ų878.2 Ų78.24%0.04238%0.378CS..EExtended strand (participates in β ladder)trans-119.6136.6175.5170.368.4000109V78 E81 Y85 K130 Y131V78-L124 HydrophobicContact CB-CD2 4.3Å; V78-L124 HydrophobicContact CG1-CD2 3.66Å; V78-L124 HydrophobicContact CG2-CD2 4.29Å; E81-L124 HydrophobicContact CB-CD1 4.23Å; E81-L124 HydrophobicContact CB-CD2 4.17Å; E81-L124 WeakPolarHBondContact OE2-CD1 3.44Å; Y85-L124 HydrophobicContact CE2-CB 4.29Å; L124-K130 CarbonylContact O-C 3.46Å; L124-K130 WeakPolarHBondContact O-CA 3.3Å; L124-Y131 HydrophobicContact CD2-CD2 4.28Å; L124-Y131 HydrophobicContact CG-CD2 4.39Å; L124-Y131 PolarHBondContact N-O 2.82Å; L124-Y131 PolarHBondContact O-N 2.93Å
125V85.8Confident84.5Confident79 Ų7976.1 Ų76.148%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-118.4123.7173.8-176.20000108.7F123 R129 K130F123-V125 HydrophobicContact CD2-CG2 3.92Å; F123-V125 HydrophobicContact CE2-CG2 4.06Å; V125-R129 WeakPolarHBondContact CA-O 3.25Å; V125-K130 HydrophobicContact CG2-CB 4.46Å; V125-K130 HydrophobicContact CG2-CD 4.07Å; V125-K130 HydrophobicContact CG2-CG 4.04Å
126R82.3Confident86.8Confident116 Ų11670.8 Ų70.844%0.43832%0.32SS..EExtended strand (participates in β ladder)trans-136.7126.7173.1-16677.1-175.2179.61109.1V78 N128 R129V78-R126 HydrophobicContact CG2-CB 3.65Å; V78-R126 HydrophobicContact CG2-CG 3.65Å; R126-N128 PolarHBondContact O-N 2.95Å; R126-R129 PolarHBondContact N-O 2.93Å; R126-R129 WeakPolarHBondContact O-CB 3.29Å; R126-R129 PolarHBondContact O-N 2.8Å; R126-R129 VanDerWaalsContact O-O 3.12Å
127E79.3Confident88.1Confident165 Ų16563.5 Ų63.577%0.77129%0.294SS*.THydrogen-bonded Turntrans51.8-119.9-175.9-58.5169.6-172.200111.4
128N80Confident88.8Confident84 Ų8454.6 Ų54.645%0.44926%0.264SS..THydrogen-bonded Turntrans-100.718.817679.5-25.2000113.4R126 V150 N151R126-N128 PolarHBondContact O-N 2.95Å; N128-V150 CarbonylContact O-C 3.56Å; N128-V150 WeakPolarHBondContact O-CA 2.99Å; N128-N151 PolarHBondContact O-N 2.87Å
129R85.6Confident88.9Confident84 Ų8461.1 Ų61.132%0.31729%0.291SS..EExtended strand (participates in β ladder)trans-117.1133.8-177.3-59.6-177.6-178.4-161.87.2110.5V125 R126 Y131 T149 V150V125-R129 WeakPolarHBondContact CA-O 3.25Å; R126-R129 PolarHBondContact N-O 2.93Å; R126-R129 WeakPolarHBondContact O-CB 3.29Å; R126-R129 PolarHBondContact O-N 2.8Å; R126-R129 VanDerWaalsContact O-O 3.12Å; R129-Y131 HydrophobicContact CB-CE2 3.77Å; R129-Y131 WeakPolarHBondContact CD-OH 3.31Å; R129-T149 WeakPolarHBondContact CA-O 3.37Å; R129-V150 HydrophobicContact CG-CG1 3.98Å
130K90.1Very high88.7Confident45 Ų4565.1 Ų65.120%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-116.9124.9172-174.1163.8178.8-175.80109.6F123 L124 V125 Y132 T149F123-K130 HydrophobicContact CD2-CD 4.49Å; F123-K130 VanDerWaalsContact CD2-CE 3.47Å; L124-K130 CarbonylContact O-C 3.46Å; L124-K130 WeakPolarHBondContact O-CA 3.3Å; V125-K130 HydrophobicContact CG2-CB 4.46Å; V125-K130 HydrophobicContact CG2-CD 4.07Å; V125-K130 HydrophobicContact CG2-CG 4.04Å; K130-Y132 HydrophobicContact CB-CE2 4.32Å; K130-Y132 HydrophobicContact CD-CE1 4.11Å; K130-Y132 HydrophobicContact CD-CE2 4.09Å; K130-Y132 VanDerWaalsContact CD-OH 3.3Å; K130-Y132 WeakPolarHBondContact CD-OH 3.48Å; K130-Y132 VanDerWaalsContact CE-CE1 3.45Å; K130-Y132 VanDerWaalsContact CE-CZ 3.47Å; K130-Y132 WeakPolarHBondContact CE-OH 3.49Å; K130-Y132 HydrophobicContact CG-CD2 4.37Å; K130-Y132 HydrophobicContact CG-CE1 4.38Å; K130-Y132 HydrophobicContact CG-CE2 3.83Å; K130-T149 PolarHBondContact N-O 3.24Å; K130-T149 PolarHBondContact O-N 2.88Å; K130-T149 PolarHBondContact O-OG1 3.2Å
131Y92.4Very high88.6Confident8 Ų864.1 Ų64.13%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-104.4123.1177.4-60-92.5000108L72 T73 L74 V78 F123 L124 R129 R147 Q148L72-Y131 HydrophobicContact CD1-CD1 4.35Å; L72-Y131 HydrophobicContact CD1-CE1 4.12Å; T73-Y131 PolarHBondContact O-OH 3.44Å; L74-Y131 HydrophobicContact CD2-CD1 3.86Å; L74-Y131 HydrophobicContact CD2-CE1 3.28Å; V78-Y131 HydrophobicContact CG1-CD2 4.35Å; V78-Y131 HydrophobicContact CG1-CE2 4Å; V78-Y131 HydrophobicContact CG2-CE2 4.41Å; F123-Y131 CarbonylContact C-O 3.54Å; F123-Y131 WeakPolarHBondContact CA-O 3.35Å; F123-Y131 WeakPolarHBondContact CB-O 3.47Å; L124-Y131 HydrophobicContact CD2-CD2 4.28Å; L124-Y131 HydrophobicContact CG-CD2 4.39Å; L124-Y131 PolarHBondContact N-O 2.82Å; L124-Y131 PolarHBondContact O-N 2.93Å; R129-Y131 HydrophobicContact CB-CE2 3.77Å; R129-Y131 WeakPolarHBondContact CD-OH 3.31Å; Y131-R147 CarbonylContact C-O 3.55Å; Y131-R147 WeakPolarHBondContact CA-O 3.49Å; Y131-Q148 HydrophobicContact CD1-CB 3.75Å; Y131-Q148 HydrophobicContact CD1-CG 3.9Å; Y131-Q148 HydrophobicContact CE1-CB 3.69Å; Y131-Q148 HydrophobicContact CE1-CG 3.47Å; Y131-Q148 VanDerWaalsContact CE1-CG 3.47Å; Y131-Q148 PolarHBondContact OH-OE1 2.98Å
132Y93.6Very high88.6Confident65 Ų6562 Ų6226%0.25529%0.285SS..EExtended strand (participates in β ladder)trans-103.2130.4174.6-62.7-90.2000108.8F123 K130 I146 R147 T149F123-Y132 HydrophobicContact CB-CD1 4.34Å; K130-Y132 HydrophobicContact CB-CE2 4.32Å; K130-Y132 HydrophobicContact CD-CE1 4.11Å; K130-Y132 HydrophobicContact CD-CE2 4.09Å; K130-Y132 VanDerWaalsContact CD-OH 3.3Å; K130-Y132 WeakPolarHBondContact CD-OH 3.48Å; K130-Y132 VanDerWaalsContact CE-CE1 3.45Å; K130-Y132 VanDerWaalsContact CE-CZ 3.47Å; K130-Y132 WeakPolarHBondContact CE-OH 3.49Å; K130-Y132 HydrophobicContact CG-CD2 4.37Å; K130-Y132 HydrophobicContact CG-CE1 4.38Å; K130-Y132 HydrophobicContact CG-CE2 3.83Å; Y132-I146 CarbonylContact O-C 3.53Å; Y132-I146 VanDerWaalsContact O-CA 3.31Å; Y132-I146 WeakPolarHBondContact O-CA 3.39Å; Y132-R147 PolarHBondContact N-O 3.49Å; Y132-R147 PolarHBondContact O-N 2.89Å; Y132-T149 HydrophobicContact CD2-CG2 4.23Å; Y132-T149 HydrophobicContact CE2-CG2 3.93Å; Y132-T149 WeakPolarHBondContact CE2-OG1 3.33Å
133L94.8Very high88.6Confident4 Ų460.9 Ų60.92%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-119.7106.7-180-63.985.9000107.8F82 F89 S121 E122 L144 I146F82-L133 HydrophobicContact CD2-CD2 3.52Å; F82-L133 HydrophobicContact CE2-CD2 3.56Å; F89-L133 HydrophobicContact CE2-CB 3.77Å; F89-L133 HydrophobicContact CE2-CD2 4.02Å; F89-L133 HydrophobicContact CZ-CB 3.88Å; S121-L133 CarbonylContact C-O 3.46Å; S121-L133 VanDerWaalsContact CA-O 3.28Å; S121-L133 WeakPolarHBondContact CA-O 3.31Å; E122-L133 HydrophobicContact CB-CB 4.34Å; E122-L133 PolarHBondContact N-O 3.06Å; E122-L133 PolarHBondContact O-N 3.42Å; L133-L144 HydrophobicContact CB-CD1 4.34Å; L133-I146 HydrophobicContact CG-CG1 4.34Å
134D94.4Very high88.9Confident18 Ų1855.6 Ų55.610%0.09626%0.256CS..EExtended strand (participates in β ladder)trans-116.3112.3-177.9-58.1-45.4000110.1A118 S121 K136 R145A118-D134 HydrophobicContact CB-CB 3.94Å; S121-D134 PolarHBondContact OG-OD1 3.07Å; D134-K136 HydrophobicContact CB-CD 4.27Å; D134-K136 HydrophobicContact CB-CG 4Å; D134-K136 PolarHBondContact O-N 3.23Å; D134-K136 IonicContact OD2-NZ 3.47Å; D134-R145 PolarHBondContact N-O 2.91Å; D134-R145 PolarHBondContact O-N 3.36Å; D134-R145 IonicContact OD2-CZ 2.8Å; D134-R145 IonicContact OD2-NE 3.83Å; D134-R145 IonicContact OD2-NH2 3.24Å; D134-R145 PolarHBondContact OD2-NH2 2.93Å
135L94.8Very high89.2Confident0 Ų058.4 Ų58.40%027%0.266CS..EExtended strand (participates in β ladder)trans-75.4118.4166.7-176.665.8000108.2F89 L96 A118 L119 K120 L144 A175F89-L135 HydrophobicContact CD1-CB 3.78Å; F89-L135 HydrophobicContact CD1-CD2 4.36Å; F89-L135 HydrophobicContact CE1-CB 3.78Å; L96-L135 HydrophobicContact CD1-CD2 4.05Å; A118-L135 CarbonylContact C-O 3.6Å; A118-L135 WeakPolarHBondContact CA-O 3.37Å; A118-L135 WeakPolarHBondContact CB-O 3.36Å; L119-L135 HydrophobicContact CB-CD2 4.36Å; L119-L135 HydrophobicContact CB-CG 4.36Å; L119-L135 HydrophobicContact CD1-CG 4.45Å; L119-L135 PolarHBondContact N-O 3.08Å; K120-L135 HydrophobicContact CB-CB 4.33Å; K120-L135 PolarHBondContact O-N 3.34Å; L135-L144 HydrophobicContact CB-CD1 4.19Å; L135-L144 HydrophobicContact CD1-CB 4.47Å; L135-A175 HydrophobicContact CD1-CB 4.44Å
136K93Very high89.6Confident18 Ų1854.8 Ų54.88%0.07824%0.244CC..EExtended strand (participates in β ladder)trans-126.5165.4-176.1-61.7-164.7179.4-133.90110.9R116 A118 D134 R142 F143R116-K136 PolarHBondContact O-NZ 2.9Å; A118-K136 HydrophobicContact CB-CG 4.36Å; D134-K136 HydrophobicContact CB-CD 4.27Å; D134-K136 HydrophobicContact CB-CG 4Å; D134-K136 PolarHBondContact O-N 3.23Å; D134-K136 IonicContact OD2-NZ 3.47Å; K136-R142 CarbonylContact O-C 3.51Å; K136-R142 VanDerWaalsContact O-CA 3.24Å; K136-R142 WeakPolarHBondContact O-CA 3.49Å; K136-F143 HydrophobicContact CB-CD1 4.4Å; K136-F143 HydrophobicContact CB-CE1 3.82Å; K136-F143 HydrophobicContact CB-CE2 4.2Å; K136-F143 HydrophobicContact CB-CZ 3.72Å; K136-F143 HydrophobicContact CD-CZ 4.44Å; K136-F143 PolarHBondContact N-O 3.47Å; K136-F143 PolarHBondContact O-N 3.41Å
137E88.6Confident90Very high24 Ų2453.5 Ų53.511%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-127141.8176.6-172.3162.4170.700110.7S99 A107 L119 R142S99-E137 WeakPolarHBondContact CB-OE1 3.23Å; S99-E137 PolarHBondContact OG-OE1 2.79Å; S99-E137 PolarHBondContact OG-OE2 2.67Å; A107-E137 HydrophobicContact CB-CB 4.44Å; L119-E137 HydrophobicContact CD1-CB 4.04Å; E137-R142 HydrophobicContact CB-CG 4.07Å; E137-R142 HydrophobicContact CG-CG 3.88Å; E137-R142 IonicContact OE2-CZ 2.72Å; E137-R142 IonicContact OE2-NE 3.99Å; E137-R142 PolarHBondContact OE2-NE 3.43Å; E137-R142 IonicContact OE2-NH2 2.68Å
138N84.7Confident90.5Very high54 Ų5446.4 Ų46.429%0.28921%0.206SC..EExtended strand (participates in β ladder)trans-142.3-179.4171.965.822.9000110.1R140 G141 F143N138-R140 PolarHBondContact O-N 2.79Å; N138-R140 VanDerWaalsContact OD1-CA 3.31Å; N138-R140 WeakPolarHBondContact OD1-CA 3.34Å; N138-R140 VanDerWaalsContact OD1-CB 3.32Å; N138-R140 WeakPolarHBondContact OD1-CB 3.39Å; N138-R140 PolarHBondContact OD1-N 2.8Å; N138-G141 PolarHBondContact N-O 3.35Å; N138-G141 PolarHBondContact O-N 2.85Å; N138-G141 PolarHBondContact OD1-N 2.84Å; N138-G141 VanDerWaalsContact OD1-N 3.12Å; N138-G141 PolarHBondContact OD1-O 2.91Å; N138-F143 HydrophobicContact CB-CE1 4.08Å; N138-F143 VanDerWaalsContact ND2-CE1 3.25Å; N138-F143 WeakPolarHBondContact ND2-CE1 3.27Å
139Q84.4Confident90.8Very high157 Ų15744.3 Ų44.373%0.73420%0.196SC*.THydrogen-bonded Turntrans-56-23.1177-63.7179.6-0.100114.5I104 T108I104-Q139 HydrophobicContact CG2-CG 4.34Å; T108-Q139 HydrophobicContact CG2-CG 4.07Å
140R84.1Confident90.4Very high154 Ų15443.4 Ų43.458%0.58120%0.2SC*.THydrogen-bonded Turntrans-89.8-4.7178.3-61176.757.6-165.5-7.9112.7N42 N138N42-R140 PolarHBondContact ND2-NH2 2.79Å; N42-R140 PolarHBondContact OD1-NH2 3.05Å; N138-R140 PolarHBondContact O-N 2.79Å; N138-R140 VanDerWaalsContact OD1-CA 3.31Å; N138-R140 WeakPolarHBondContact OD1-CA 3.34Å; N138-R140 VanDerWaalsContact OD1-CB 3.32Å; N138-R140 WeakPolarHBondContact OD1-CB 3.39Å; N138-R140 PolarHBondContact OD1-N 2.8Å
141G88.4Confident89Confident23 Ų2346 Ų4624%0.23722%0.216CC..EExtended strand (participates in β ladder)trans116.7-166.5-17900000113.7N138N138-G141 PolarHBondContact N-O 3.35Å; N138-G141 PolarHBondContact O-N 2.85Å; N138-G141 PolarHBondContact OD1-N 2.84Å; N138-G141 VanDerWaalsContact OD1-N 3.12Å; N138-G141 PolarHBondContact OD1-O 2.91Å
142R92.5Very high87.4Confident21 Ų2154.2 Ų54.28%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-87.8142.8-178.6-58.8-174.6-170.4138.8-3.4111.4Y93 L96 G97 S99 L119 K136 E137 A175Y93-R142 HydrophobicContact CE2-CB 4.15Å; Y93-R142 HydrophobicContact CE2-CG 4.46Å; L96-R142 PolarHBondContact O-NH2 3.34Å; L96-R142 VanDerWaalsContact O-NH2 3.07Å; G97-R142 PolarHBondContact O-NH1 2.83Å; G97-R142 PolarHBondContact O-NH2 3.32Å; S99-R142 PolarHBondContact OG-NE 3.35Å; S99-R142 PolarHBondContact OG-NH2 3.25Å; L119-R142 HydrophobicContact CD1-CG 4.25Å; K136-R142 CarbonylContact O-C 3.51Å; K136-R142 VanDerWaalsContact O-CA 3.24Å; K136-R142 WeakPolarHBondContact O-CA 3.49Å; E137-R142 HydrophobicContact CB-CG 4.07Å; E137-R142 HydrophobicContact CG-CG 3.88Å; E137-R142 IonicContact OE2-CZ 2.72Å; E137-R142 IonicContact OE2-NE 3.99Å; E137-R142 PolarHBondContact OE2-NE 3.43Å; E137-R142 IonicContact OE2-NH2 2.68Å; R142-A175 HydrophobicContact CB-CB 3.83Å; R142-A175 WeakPolarHBondContact O-CB 3.12Å; R142-A175 PolarHBondContact O-N 2.81Å
143F94.3Very high84.9Confident40 Ų4053.6 Ų53.618%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-149.5143.3179.767.4-79.9000111.2K136 N138 R145 A172 L173K136-F143 HydrophobicContact CB-CD1 4.4Å; K136-F143 HydrophobicContact CB-CE1 3.82Å; K136-F143 HydrophobicContact CB-CE2 4.2Å; K136-F143 HydrophobicContact CB-CZ 3.72Å; K136-F143 HydrophobicContact CD-CZ 4.44Å; K136-F143 PolarHBondContact N-O 3.47Å; K136-F143 PolarHBondContact O-N 3.41Å; N138-F143 HydrophobicContact CB-CE1 4.08Å; N138-F143 VanDerWaalsContact ND2-CE1 3.25Å; N138-F143 WeakPolarHBondContact ND2-CE1 3.27Å; F143-R145 HydrophobicContact CD2-CB 4.32Å; F143-R145 HydrophobicContact CE2-CB 4.04Å; F143-A172 HydrophobicContact CD2-CB 3.97Å; F143-A172 HydrophobicContact CE2-CB 4.43Å; F143-L173 CarbonylContact C-O 3.57Å; F143-L173 VanDerWaalsContact CA-O 3.26Å; F143-L173 WeakPolarHBondContact CA-O 3.44Å; F143-L173 WeakPolarHBondContact CB-O 3.12Å
144L95.6Very high82.2Confident0 Ų060.4 Ų60.40%031%0.305CS..EExtended strand (participates in β ladder)trans-89.6116.8172.1-17565.5000109.2F82 L86 F89 L133 L135 I146 A172 L173 L178F82-L144 HydrophobicContact CE2-CD2 4.46Å; L86-L144 HydrophobicContact CD2-CD2 3.54Å; F89-L144 HydrophobicContact CD1-CD1 3.91Å; F89-L144 HydrophobicContact CD2-CD1 4.07Å; F89-L144 HydrophobicContact CD2-CD2 4.19Å; F89-L144 HydrophobicContact CE1-CD1 3.77Å; F89-L144 HydrophobicContact CE2-CD1 3.99Å; F89-L144 HydrophobicContact CG-CD1 4.06Å; F89-L144 HydrophobicContact CG-CD2 4.45Å; F89-L144 HydrophobicContact CZ-CD1 3.84Å; L133-L144 HydrophobicContact CB-CD1 4.34Å; L135-L144 HydrophobicContact CB-CD1 4.19Å; L135-L144 HydrophobicContact CD1-CB 4.47Å; L144-I146 HydrophobicContact CD2-CD1 4.28Å; L144-I146 HydrophobicContact CD2-CG1 4.35Å; L144-I146 HydrophobicContact CG-CD1 4.44Å; L144-I146 HydrophobicContact CG-CG1 4.22Å; L144-A172 CarbonylContact O-C 3.54Å; L144-A172 WeakPolarHBondContact O-CA 3.29Å; L144-L173 PolarHBondContact N-O 2.81Å; L144-L173 PolarHBondContact O-N 2.85Å; L144-L178 HydrophobicContact CB-CD2 3.89Å; L144-L178 HydrophobicContact CD2-CD2 3.72Å; L144-L178 HydrophobicContact CG-CD2 4.47Å
145R94.1Very high79.8Confident67 Ų6762.8 Ų62.825%0.25333%0.334SS..EExtended strand (participates in β ladder)trans-95.4119.2174.6-173.718067.1170.45.2109.5D134 F143D134-R145 PolarHBondContact N-O 2.91Å; D134-R145 PolarHBondContact O-N 3.36Å; D134-R145 IonicContact OD2-CZ 2.8Å; D134-R145 IonicContact OD2-NE 3.83Å; D134-R145 IonicContact OD2-NH2 3.24Å; D134-R145 PolarHBondContact OD2-NH2 2.93Å; F143-R145 HydrophobicContact CD2-CB 4.32Å; F143-R145 HydrophobicContact CE2-CB 4.04Å
146I94Very high77.5Confident3 Ų372 Ų722%0.01537%0.374CS..EExtended strand (participates in β ladder)trans-107.6127.1176.5-57.2137.5000107.7L72 F82 Y132 L133 L144 T170 I171L72-I146 HydrophobicContact CD2-CB 4.26Å; L72-I146 HydrophobicContact CD2-CG2 3.5Å; L72-I146 VanDerWaalsContact CD2-CG2 3.5Å; F82-I146 HydrophobicContact CE1-CD1 4.25Å; F82-I146 HydrophobicContact CE2-CD1 3.79Å; F82-I146 HydrophobicContact CE2-CG1 4.1Å; F82-I146 HydrophobicContact CZ-CD1 3.32Å; F82-I146 HydrophobicContact CZ-CG1 4.11Å; Y132-I146 CarbonylContact O-C 3.53Å; Y132-I146 VanDerWaalsContact O-CA 3.31Å; Y132-I146 WeakPolarHBondContact O-CA 3.39Å; L133-I146 HydrophobicContact CG-CG1 4.34Å; L144-I146 HydrophobicContact CD2-CD1 4.28Å; L144-I146 HydrophobicContact CD2-CG1 4.35Å; L144-I146 HydrophobicContact CG-CD1 4.44Å; L144-I146 HydrophobicContact CG-CG1 4.22Å; I146-T170 CarbonylContact O-C 3.55Å; I146-T170 WeakPolarHBondContact O-CA 3.44Å; I146-T170 WeakPolarHBondContact O-CB 3.24Å; I146-T170 PolarHBondContact O-OG1 3.29Å; I146-I171 HydrophobicContact CB-CG1 3.96Å; I146-I171 HydrophobicContact CD1-CD1 3.88Å; I146-I171 HydrophobicContact CD1-CG1 3.9Å; I146-I171 PolarHBondContact N-O 2.9Å; I146-I171 PolarHBondContact O-N 3.45Å
147R92.2Very high75.1Confident90 Ų9074.5 Ų74.534%0.3441%0.405SS..EExtended strand (participates in β ladder)trans-132.7121.4-179.1-178.8179.764.7141.60.9110.3Y131 Y132 T149Y131-R147 CarbonylContact C-O 3.55Å; Y131-R147 WeakPolarHBondContact CA-O 3.49Å; Y132-R147 PolarHBondContact N-O 3.49Å; Y132-R147 PolarHBondContact O-N 2.89Å; R147-T149 HydrophobicContact CG-CG2 4.4Å
148Q89.6Confident72.7Confident16 Ų1680.4 Ų80.48%0.07544%0.443CS..EExtended strand (participates in β ladder)trans-91.4131.4170.8-177.5-170.9-46.100110.4L72 T73 Y131 Q169L72-Q148 HydrophobicContact CD1-CB 3.63Å; T73-Q148 PolarHBondContact O-OE1 2.92Å; Y131-Q148 HydrophobicContact CD1-CB 3.75Å; Y131-Q148 HydrophobicContact CD1-CG 3.9Å; Y131-Q148 HydrophobicContact CE1-CB 3.69Å; Y131-Q148 HydrophobicContact CE1-CG 3.47Å; Y131-Q148 VanDerWaalsContact CE1-CG 3.47Å; Y131-Q148 PolarHBondContact OH-OE1 2.98Å; Q148-Q169 HydrophobicContact CB-CB 4.2Å; Q148-Q169 PolarHBondContact N-O 2.87Å
149T84.8Confident70.5Confident39 Ų3981.8 Ų81.824%0.23947%0.47CS..EExtended strand (participates in β ladder)trans-122.2148.9167.863.50000109.3R129 K130 Y132 R147R129-T149 WeakPolarHBondContact CA-O 3.37Å; K130-T149 PolarHBondContact N-O 3.24Å; K130-T149 PolarHBondContact O-N 2.88Å; K130-T149 PolarHBondContact O-OG1 3.2Å; Y132-T149 HydrophobicContact CD2-CG2 4.23Å; Y132-T149 HydrophobicContact CE2-CG2 3.93Å; Y132-T149 WeakPolarHBondContact CE2-OG1 3.33Å; R147-T149 HydrophobicContact CG-CG2 4.4Å
150V77.7Confident68.1Low65 Ų6577.3 Ų77.339%0.39447%0.466SS..EExtended strand (participates in β ladder)trans-96.5128.9168.5-95.50000108.3N128 R129 R152N128-V150 CarbonylContact O-C 3.56Å; N128-V150 WeakPolarHBondContact O-CA 2.99Å; R129-V150 HydrophobicContact CG-CG1 3.98Å; V150-R152 VanDerWaalsContact C-N 3.28Å; V150-R152 PolarHBondContact O-N 3.16Å
151N60.7Low66.2Low100 Ų10076.6 Ų76.654%0.53548%0.481SS..  trans-67.690.3169.3-84.445.8000108N128N128-N151 PolarHBondContact O-N 2.87Å
152R58.2Low64.1Low181 Ų18182.3 Ų82.368%0.68351%0.511SS*.  trans-82.3120.9157.9-65.8-178-179.9164.5-1.2105.3V150V150-R152 VanDerWaalsContact C-N 3.28Å; V150-R152 PolarHBondContact O-N 3.16Å
153G42.3Very low61.4Low52 Ų5284.4 Ų84.454%0.53654%0.539SS..  trans-54.9166.8-169.600000114.8G155G153-G155 PolarHBondContact O-N 3.33Å
154P38.4Very low58.7Low146 Ų14686.4 Ų86.495%0.94857%0.571SS**THydrogen-bonded Turntrans-67.4108.2-178.975.7000108.7
155G43.4Very low56Low69 Ų6994.4 Ų94.471%0.71161%0.61SS**THydrogen-bonded Turntrans164-14.5-177.100000115.1G153G153-G155 PolarHBondContact O-N 3.33Å
156F46.7Very low53.7Low193 Ų19397.6 Ų97.685%0.84663%0.632SS**SBendtrans-112.637.1178.4-82.3-83.6000113.5
157G42Very low51.5Low71 Ų71101.7 Ų101.773%0.73267%0.666SS**  trans-139.744.8-174.800000113.6
158V39.6Very low49.8Very low147 Ų14799 Ų9989%0.89167%0.666SS**SBendtrans-129108.7165.2-173.10000108.9
159G38.4Very low49.5Very low84 Ų84101.1 Ų101.187%0.86668%0.676SS**SBendtrans79.5101.2154.500000117.4
160G33.8Very low49.8Very low63 Ų63101.5 Ų101.565%0.64968%0.679SS**  trans162.5116.4157.900000114.2V162G160-V162 PolarHBondContact O-N 3.07Å
161P43.4Very low50.5Low139 Ų13998.5 Ų98.590%0.90366%0.66SS**SBendtrans-8052.8177.635.3-34.1000111
162V43.9Very low52.1Low143 Ų14394.6 Ų94.687%0.86764%0.642SS**  trans-150.786.7174.3-168.40000108.3G160G160-V162 PolarHBondContact O-N 3.07Å
163G36.1Very low53.8Low65 Ų6586 Ų8667%0.6761%0.61SS**  trans-160.286.7178.200000108.9M165G163-M165 VanDerWaalsContact C-N 3.29Å; G163-M165 PolarHBondContact O-N 3.26Å
164G37.3Very low56.3Low81 Ų8183.8 Ų83.884%0.83559%0.586SS**  trans-44.3100.4170.100000108.7L166G164-L166 PolarHBondContact O-N 3Å
165M39.8Very low59Low168 Ų16876.9 Ų76.983%0.82854%0.541SS*.  trans-53.9107178.1-164.7176.2-172.400104.1G163 A167G163-M165 VanDerWaalsContact C-N 3.29Å; G163-M165 PolarHBondContact O-N 3.26Å; M165-A167 PolarHBondContact O-N 2.98Å
166L44.9Very low61.4Low135 Ų13578.2 Ų78.271%0.70753%0.529SS*.  trans-52.4102.6163.7-75.2168.1000103.5G164 G168G164-L166 PolarHBondContact O-N 3Å; L166-G168 PolarHBondContact O-N 3.26Å
167A48.5Very low63.7Low89 Ų8969 Ų6974%0.73649%0.489SS*.  trans-49.2111.6-174.300000105.5M165 Q169M165-A167 PolarHBondContact O-N 2.98Å; A167-Q169 PolarHBondContact O-N 2.97Å
168G56.8Low66.2Low33 Ų3365.7 Ų65.734%0.3445%0.454SS..  trans-51.3135.3-172.700000107.9L166 T170L166-G168 PolarHBondContact O-N 3.26Å; G168-T170 WeakPolarHBondContact O-CG2 3.48Å; G168-T170 PolarHBondContact O-N 3.44Å
169Q83Confident68.9Low60 Ų6062.8 Ų62.828%0.2843%0.433SS..EExtended strand (participates in β ladder)trans-60.5104.5176.9-72.6-177.89.500107.1R71 L72 Q148 A167R71-Q169 WeakPolarHBondContact O-CA 3.39Å; R71-Q169 WeakPolarHBondContact O-CB 3.5Å; L72-Q169 HydrophobicContact CD1-CB 4.13Å; Q148-Q169 HydrophobicContact CB-CB 4.2Å; Q148-Q169 PolarHBondContact N-O 2.87Å; A167-Q169 PolarHBondContact O-N 2.97Å
170T90.1Very high71.7Confident48 Ų4864 Ų6429%0.29442%0.416SS..EExtended strand (participates in β ladder)trans-139.8140.4-171.8-1690000110.8S70 I146 G168S70-T170 WeakPolarHBondContact CB-O 3.44Å; S70-T170 PolarHBondContact OG-O 3.06Å; S70-T170 VanDerWaalsContact OG-O 3.08Å; I146-T170 CarbonylContact O-C 3.55Å; I146-T170 WeakPolarHBondContact O-CA 3.44Å; I146-T170 WeakPolarHBondContact O-CB 3.24Å; I146-T170 PolarHBondContact O-OG1 3.29Å; G168-T170 WeakPolarHBondContact O-CG2 3.48Å; G168-T170 PolarHBondContact O-N 3.44Å
171I93.5Very high74.8Confident1 Ų161 Ų611%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-130.8154.917360.5173.9000108.7I60 E62 L72 I146I60-I171 HydrophobicContact CB-CD1 4.38Å; I60-I171 HydrophobicContact CD1-CD1 4.39Å; I60-I171 HydrophobicContact CG2-CD1 3.73Å; E62-I171 HydrophobicContact CB-CB 4.41Å; E62-I171 HydrophobicContact CB-CG2 4.03Å; E62-I171 WeakPolarHBondContact OE2-CA 3.3Å; E62-I171 WeakPolarHBondContact OE2-CB 3.41Å; L72-I171 HydrophobicContact CB-CD1 4.34Å; L72-I171 HydrophobicContact CB-CG1 4.49Å; L72-I171 HydrophobicContact CB-CG2 4.14Å; L72-I171 HydrophobicContact CD2-CD1 3.9Å; L72-I171 HydrophobicContact CD2-CG1 4.09Å; I146-I171 HydrophobicContact CB-CG1 3.96Å; I146-I171 HydrophobicContact CD1-CD1 3.88Å; I146-I171 HydrophobicContact CD1-CG1 3.9Å; I146-I171 PolarHBondContact N-O 2.9Å; I146-I171 PolarHBondContact O-N 3.45Å
172A93.8Very high77.3Confident19 Ų1957.8 Ų57.816%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-128.3101.5179.100000109.6K43 E62 F143 L144K43-A172 PolarHBondContact NZ-O 2.89Å; E62-A172 PolarHBondContact OE2-N 3.41Å; F143-A172 HydrophobicContact CD2-CB 3.97Å; F143-A172 HydrophobicContact CE2-CB 4.43Å; L144-A172 CarbonylContact O-C 3.54Å; L144-A172 WeakPolarHBondContact O-CA 3.29Å
173L94.1Very high79.8Confident0 Ų054.6 Ų54.60%033%0.333CS..EExtended strand (participates in β ladder)trans-90.6120.5-177.2-178.559.8000110.1I40 F45 F143 L144 A175 L178 F181I40-L173 HydrophobicContact CD1-CD1 3.59Å; F45-L173 HydrophobicContact CD2-CD1 4.3Å; F45-L173 HydrophobicContact CE1-CD1 4.25Å; F45-L173 HydrophobicContact CE2-CD1 3.83Å; F45-L173 HydrophobicContact CZ-CB 4.48Å; F45-L173 HydrophobicContact CZ-CD1 3.81Å; F143-L173 CarbonylContact C-O 3.57Å; F143-L173 VanDerWaalsContact CA-O 3.26Å; F143-L173 WeakPolarHBondContact CA-O 3.44Å; F143-L173 WeakPolarHBondContact CB-O 3.12Å; L144-L173 PolarHBondContact N-O 2.81Å; L144-L173 PolarHBondContact O-N 2.85Å; L173-A175 PolarHBondContact O-N 3.23Å; L173-L178 HydrophobicContact CD2-CD2 3.58Å; L173-L178 HydrophobicContact CG-CD2 4.03Å; L173-F181 HydrophobicContact CD1-CB 4.25Å; L173-F181 HydrophobicContact CD1-CD2 3.67Å; L173-F181 HydrophobicContact CD1-CE2 4.38Å; L173-F181 HydrophobicContact CD1-CG 4.16Å; L173-F181 HydrophobicContact CD2-CB 3.7Å; L173-F181 HydrophobicContact CD2-CD1 3.98Å; L173-F181 HydrophobicContact CD2-CD2 3.79Å; L173-F181 HydrophobicContact CD2-CE2 4.44Å; L173-F181 HydrophobicContact CD2-CG 3.53Å; L173-F181 HydrophobicContact CG-CD2 4.41Å
174P95.4Very high82.7Confident5 Ų552.1 Ų52.13%0.03231%0.306CS..EExtended strand (participates in β ladder)trans-57.6137.7173.1-25.235.7000111.6I40 Q41 K43 Q176 G177I40-P174 HydrophobicContact CG2-CB 3.91Å; I40-P174 HydrophobicContact CG2-CG 3.87Å; Q41-P174 HydrophobicContact CG-CB 4.13Å; Q41-P174 HydrophobicContact CG-CG 4.31Å; K43-P174 HydrophobicContact CD-CG 4.36Å; P174-Q176 PolarHBondContact O-N 2.82Å; P174-G177 PolarHBondContact O-N 2.76Å
175A94.4Very high85.4Confident2 Ų248.2 Ų48.22%0.01727%0.266CS..G310 helixtrans-59.7-32.5-174.400000112.6Y93 L135 R142 L173 G177 L178Y93-A175 HydrophobicContact CD1-CB 4.43Å; Y93-A175 HydrophobicContact CD2-CB 3.8Å; Y93-A175 HydrophobicContact CE1-CB 4.24Å; Y93-A175 HydrophobicContact CE2-CB 3.6Å; Y93-A175 HydrophobicContact CG-CB 4.22Å; L135-A175 HydrophobicContact CD1-CB 4.44Å; R142-A175 HydrophobicContact CB-CB 3.83Å; R142-A175 WeakPolarHBondContact O-CB 3.12Å; R142-A175 PolarHBondContact O-N 2.81Å; L173-A175 PolarHBondContact O-N 3.23Å; A175-G177 PolarHBondContact O-N 2.85Å; A175-L178 HydrophobicContact CB-CD1 4.15Å; A175-L178 WeakPolarHBondContact O-CB 3.17Å; A175-L178 WeakPolarHBondContact O-CD1 3.5Å; A175-L178 VanDerWaalsContact O-CG 3.27Å; A175-L178 WeakPolarHBondContact O-CG 3.44Å; A175-L178 PolarHBondContact O-N 2.72Å
176Q93.1Very high88Confident96 Ų9641 Ų4145%0.44923%0.233SC..G310 helixtrans-61.9-26.8177.8-64.884.8-8.100113.2Q41 P174Q41-Q176 VanDerWaalsContact NE2-CD 3.34Å; P174-Q176 PolarHBondContact O-N 2.82Å
177G95.3Very high90.4Very high1 Ų141 Ų411%0.0123%0.227CC..G310 helixtrans-97.47.3179.500000114.3P174 A175 I179 F181P174-G177 PolarHBondContact O-N 2.76Å; A175-G177 PolarHBondContact O-N 2.85Å; G177-I179 VanDerWaalsContact C-N 3.32Å; G177-I179 PolarHBondContact O-N 2.89Å; G177-F181 VanDerWaalsContact O-CB 3.25Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 2.83Å
178L96.1Very high92.5Very high1 Ų137.2 Ų37.21%0.00519%0.194CC..Hα-helixtrans-62.1-39.4-177.8-70.7170.3000112.3L86 I90 L144 L173 A175 F181 R182L86-L178 HydrophobicContact CD2-CD2 3.65Å; I90-L178 HydrophobicContact CD1-CB 4.15Å; I90-L178 HydrophobicContact CG1-CB 3.61Å; I90-L178 HydrophobicContact CG1-CD1 4.47Å; L144-L178 HydrophobicContact CB-CD2 3.89Å; L144-L178 HydrophobicContact CD2-CD2 3.72Å; L144-L178 HydrophobicContact CG-CD2 4.47Å; L173-L178 HydrophobicContact CD2-CD2 3.58Å; L173-L178 HydrophobicContact CG-CD2 4.03Å; A175-L178 HydrophobicContact CB-CD1 4.15Å; A175-L178 WeakPolarHBondContact O-CB 3.17Å; A175-L178 WeakPolarHBondContact O-CD1 3.5Å; A175-L178 VanDerWaalsContact O-CG 3.27Å; A175-L178 WeakPolarHBondContact O-CG 3.44Å; A175-L178 PolarHBondContact O-N 2.72Å; L178-F181 PolarHBondContact O-N 2.8Å; L178-R182 VanDerWaalsContact O-CB 3.28Å; L178-R182 WeakPolarHBondContact O-CB 3.43Å; L178-R182 PolarHBondContact O-N 3.38Å
179I96.2Very high94.2Very high85 Ų8536.5 Ų36.544%0.43618%0.182SC..Hα-helixtrans-65.3-53.2179.6-62.2172.4000110.1I90 G177 F181 R182 D183I90-I179 HydrophobicContact CD1-CB 4.48Å; I90-I179 HydrophobicContact CD1-CG1 3.88Å; I90-I179 HydrophobicContact CG1-CG1 4.06Å; I90-I179 HydrophobicContact CG2-CD1 4.17Å; I90-I179 HydrophobicContact CG2-CG1 3.83Å; G177-I179 VanDerWaalsContact C-N 3.32Å; G177-I179 PolarHBondContact O-N 2.89Å; I179-F181 VanDerWaalsContact C-N 3.26Å; I179-F181 PolarHBondContact O-N 3.15Å; I179-R182 WeakPolarHBondContact O-CB 3.42Å; I179-R182 PolarHBondContact O-N 3.05Å; I179-R182 VanDerWaalsContact O-N 3.16Å; I179-D183 VanDerWaalsContact O-CG 3.23Å; I179-D183 PolarHBondContact O-N 3.35Å
180E97.1Very high94.6Very high109 Ų10939.2 Ų39.251%0.50920%0.199SC..Hα-helixtrans-58.4-40.1178.2-66.2178.3-16500112.1A184E180-A184 VanDerWaalsContact O-CB 3.25Å; E180-A184 WeakPolarHBondContact O-CB 3.35Å; E180-A184 PolarHBondContact O-N 3.29Å
181F97.1Very high94.6Very high0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-66.5-44.4177.5-162.7-76.1000111.7L38 I40 F45 L47 I60 F82 L86 L173 G177 L178 I179 L185L38-F181 HydrophobicContact CD1-CB 4.2Å; L38-F181 HydrophobicContact CD1-CD2 3.76Å; L38-F181 HydrophobicContact CD1-CE2 4.45Å; L38-F181 HydrophobicContact CD1-CG 4.21Å; I40-F181 HydrophobicContact CD1-CD2 4.47Å; F45-F181 HydrophobicContact CB-CE2 4.23Å; F45-F181 HydrophobicContact CD1-CE2 4.15Å; F45-F181 HydrophobicContact CG-CE2 4.26Å; L47-F181 HydrophobicContact CD1-CD2 4.48Å; L47-F181 HydrophobicContact CD1-CE2 3.81Å; L47-F181 HydrophobicContact CD1-CZ 4.12Å; L47-F181 HydrophobicContact CD2-CE1 4.28Å; L47-F181 HydrophobicContact CD2-CE2 4.39Å; L47-F181 HydrophobicContact CD2-CZ 4.04Å; L47-F181 HydrophobicContact CG-CE2 4.4Å; L47-F181 HydrophobicContact CG-CZ 4.21Å; I60-F181 HydrophobicContact CD1-CE1 4.43Å; I60-F181 HydrophobicContact CD1-CZ 3.99Å; I60-F181 HydrophobicContact CG1-CZ 4.35Å; I60-F181 HydrophobicContact CG2-CE2 4.2Å; I60-F181 HydrophobicContact CG2-CZ 3.9Å; F82-F181 HydrophobicContact CE1-CD1 4.48Å; F82-F181 AromaticContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CZ-CE1 4.35Å; L86-F181 HydrophobicContact CD1-CD1 3.86Å; L173-F181 HydrophobicContact CD1-CB 4.25Å; L173-F181 HydrophobicContact CD1-CD2 3.67Å; L173-F181 HydrophobicContact CD1-CE2 4.38Å; L173-F181 HydrophobicContact CD1-CG 4.16Å; L173-F181 HydrophobicContact CD2-CB 3.7Å; L173-F181 HydrophobicContact CD2-CD1 3.98Å; L173-F181 HydrophobicContact CD2-CD2 3.79Å; L173-F181 HydrophobicContact CD2-CE2 4.44Å; L173-F181 HydrophobicContact CD2-CG 3.53Å; L173-F181 HydrophobicContact CG-CD2 4.41Å; G177-F181 VanDerWaalsContact O-CB 3.25Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 2.83Å; L178-F181 PolarHBondContact O-N 2.8Å; I179-F181 VanDerWaalsContact C-N 3.26Å; I179-F181 PolarHBondContact O-N 3.15Å; F181-L185 VanDerWaalsContact O-CB 3.31Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 3.33Å
182R96.4Very high94.4Very high73 Ų7344.2 Ų44.228%0.27522%0.22SC..Hα-helixtrans-60-47.7175.7-179.2-158.665.2-171.6-0.8110.9R83 L86 I90 L178 I179 L185 A186R83-R182 HydrophobicContact CG-CG 4.1Å; L86-R182 HydrophobicContact CB-CB 4.11Å; L86-R182 HydrophobicContact CB-CG 4.18Å; L86-R182 HydrophobicContact CD1-CB 4.14Å; I90-R182 HydrophobicContact CD1-CB 4.15Å; L178-R182 VanDerWaalsContact O-CB 3.28Å; L178-R182 WeakPolarHBondContact O-CB 3.43Å; L178-R182 PolarHBondContact O-N 3.38Å; I179-R182 WeakPolarHBondContact O-CB 3.42Å; I179-R182 PolarHBondContact O-N 3.05Å; I179-R182 VanDerWaalsContact O-N 3.16Å; R182-L185 PolarHBondContact O-N 3.2Å; R182-A186 WeakPolarHBondContact O-CB 3.49Å; R182-A186 PolarHBondContact O-N 2.88Å
183D96.8Very high93.7Very high76 Ų7644.7 Ų44.741%0.40623%0.227SC..Hα-helixtrans-68.2-38.6-176.4-64.3-9.5000111.2I179 K187I179-D183 VanDerWaalsContact O-CG 3.23Å; I179-D183 PolarHBondContact O-N 3.35Å; D183-K187 WeakPolarHBondContact O-CB 3.21Å; D183-K187 PolarHBondContact O-N 3.16Å
184A96.3Very high92.4Very high12 Ų1246.4 Ų46.410%0.09924%0.244CC..Hα-helixtrans-63.1-42.2171.600000111.9K36 L38 L47 E180 L188K36-A184 HydrophobicContact CG-CB 4.27Å; L38-A184 HydrophobicContact CD1-CB 3.89Å; L38-A184 HydrophobicContact CD2-CB 4.03Å; L38-A184 HydrophobicContact CG-CB 4.39Å; L47-A184 HydrophobicContact CD2-CB 4.49Å; E180-A184 VanDerWaalsContact O-CB 3.25Å; E180-A184 WeakPolarHBondContact O-CB 3.35Å; E180-A184 PolarHBondContact O-N 3.29Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.3Å; A184-L188 PolarHBondContact O-N 3.2Å; A184-L188 VanDerWaalsContact O-N 3.08Å
185L95Very high90.3Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-66.3-44.8178.1-16666000111.2L47 I58 A79 F82 R83 L86 F181 R182 K187 L188 I189L47-L185 HydrophobicContact CD2-CD1 4.29Å; I58-L185 HydrophobicContact CD1-CD1 3.68Å; A79-L185 HydrophobicContact CB-CD1 4.17Å; A79-L185 WeakPolarHBondContact O-CD2 3.36Å; F82-L185 HydrophobicContact CD1-CD2 3.6Å; F82-L185 HydrophobicContact CE1-CD2 4.14Å; F82-L185 HydrophobicContact CG-CD2 4.33Å; R83-L185 HydrophobicContact CB-CD2 4.09Å; L86-L185 HydrophobicContact CD1-CD2 4.35Å; F181-L185 VanDerWaalsContact O-CB 3.31Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 3.33Å; R182-L185 PolarHBondContact O-N 3.2Å; L185-K187 PolarHBondContact O-N 2.97Å; L185-L188 PolarHBondContact O-N 2.87Å; L185-I189 HydrophobicContact CG-CD1 3.87Å; L185-I189 WeakPolarHBondContact O-CD1 3.2Å; L185-I189 VanDerWaalsContact O-CG1 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 2.91Å
186A94.8Very high88.2Confident15 Ų1556.5 Ų56.512%0.12430%0.298CS..Hα-helixtrans-56.7-50.3175.800000110.8R83 R182 L188 I189 D190R83-A186 HydrophobicContact CG-CB 4.09Å; R182-A186 WeakPolarHBondContact O-CB 3.49Å; R182-A186 PolarHBondContact O-N 2.88Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 2.92Å; A186-I189 CarbonylContact O-C 3.56Å; A186-I189 PolarHBondContact O-N 2.82Å; A186-D190 PolarHBondContact O-N 3.36Å
187K94Very high85.9Confident136 Ų13659.4 Ų59.459%0.59131%0.311SS*.Hα-helixtrans-57.6-44.7176.6-178.9171.4-179170.30112.8D183 L185 I189 D190 D191D183-K187 WeakPolarHBondContact O-CB 3.21Å; D183-K187 PolarHBondContact O-N 3.16Å; L185-K187 PolarHBondContact O-N 2.97Å; K187-I189 VanDerWaalsContact C-N 3.28Å; K187-I189 PolarHBondContact O-N 3.32Å; K187-D190 PolarHBondContact O-N 3.48Å; K187-D191 WeakPolarHBondContact CE-OD2 3.25Å; K187-D191 WeakPolarHBondContact CG-OD2 3.49Å; K187-D191 VanDerWaalsContact O-CB 3.31Å; K187-D191 WeakPolarHBondContact O-CB 3.38Å; K187-D191 PolarHBondContact O-N 3.23Å
188L93.3Very high83.3Confident10 Ų1066.5 Ų66.55%0.05234%0.344CS..Hα-helixtrans-66.2-31.6178.1-68.7174.6000112.3A34 K36 L47 V49 I58 A184 L185 A186 Y192A34-L188 HydrophobicContact CB-CD2 4.09Å; K36-L188 HydrophobicContact CB-CD1 4.25Å; L47-L188 HydrophobicContact CB-CD1 3.76Å; L47-L188 HydrophobicContact CD2-CD1 4.02Å; V49-L188 HydrophobicContact CG2-CB 4.05Å; V49-L188 HydrophobicContact CG2-CD1 4.07Å; V49-L188 HydrophobicContact CG2-CD2 3.81Å; V49-L188 HydrophobicContact CG2-CG 4.19Å; I58-L188 HydrophobicContact CD1-CB 4.42Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.3Å; A184-L188 PolarHBondContact O-N 3.2Å; A184-L188 VanDerWaalsContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 2.87Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 2.92Å; L188-Y192 HydrophobicContact CD2-CD2 4.38Å; L188-Y192 HydrophobicContact CD2-CE2 4.29Å; L188-Y192 WeakPolarHBondContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CD2 3.4Å; L188-Y192 PolarHBondContact O-N 2.82Å
189I92.2Very high80.9Confident17 Ų1770.3 Ų70.39%0.08736%0.364CS..Hα-helixtrans-73.9-40.3174.5-67.1158.2000110.5A79 A80 R83 L185 A186 K187 G193A79-I189 HydrophobicContact CB-CD1 4.13Å; A79-I189 HydrophobicContact CB-CG1 4.34Å; A80-I189 HydrophobicContact CB-CD1 4.35Å; A80-I189 HydrophobicContact CB-CG2 4.47Å; R83-I189 HydrophobicContact CB-CD1 4.1Å; L185-I189 HydrophobicContact CG-CD1 3.87Å; L185-I189 WeakPolarHBondContact O-CD1 3.2Å; L185-I189 VanDerWaalsContact O-CG1 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 2.91Å; A186-I189 CarbonylContact O-C 3.56Å; A186-I189 PolarHBondContact O-N 2.82Å; K187-I189 VanDerWaalsContact C-N 3.28Å; K187-I189 PolarHBondContact O-N 3.32Å; I189-G193 WeakPolarHBondContact O-CA 3.46Å; I189-G193 PolarHBondContact O-N 3.12Å
190D91.4Very high78.5Confident117 Ų11770.3 Ų70.363%0.62637%0.368SS*.Hα-helixtrans-67.2-40.7178.1-61.3-22.1000110.6A186 K187A186-D190 PolarHBondContact O-N 3.36Å; K187-D190 PolarHBondContact O-N 3.48Å
191D90.8Very high75.8Confident93 Ų9368.5 Ų68.550%0.49738%0.379SS..Hα-helixtrans-74-30.8-179.6-69.1-19000112.9K187K187-D191 WeakPolarHBondContact CE-OD2 3.25Å; K187-D191 WeakPolarHBondContact CG-OD2 3.49Å; K187-D191 VanDerWaalsContact O-CB 3.31Å; K187-D191 WeakPolarHBondContact O-CB 3.38Å; K187-D191 PolarHBondContact O-N 3.23Å
192Y89Confident73Confident62 Ų6270.8 Ų70.824%0.24340%0.402CS..Hα-helixtrans-131.4-4.2-169.9-59.3-80.7000115.9L33 A34 V49 R56 L76 L188L33-Y192 HydrophobicContact CB-CD1 4.03Å; L33-Y192 HydrophobicContact CB-CE1 3.82Å; L33-Y192 HydrophobicContact CD1-CD1 4.03Å; L33-Y192 PolarHBondContact O-OH 3.49Å; A34-Y192 HydrophobicContact CB-CD2 4.35Å; A34-Y192 HydrophobicContact CB-CE2 3.49Å; A34-Y192 VanDerWaalsContact CB-CE2 3.49Å; V49-Y192 HydrophobicContact CG1-CD1 4.46Å; V49-Y192 HydrophobicContact CG1-CD2 4.38Å; V49-Y192 HydrophobicContact CG1-CG 4.01Å; V49-Y192 HydrophobicContact CG2-CD2 4.19Å; R56-Y192 VanDerWaalsContact CD-O 3.29Å; R56-Y192 WeakPolarHBondContact CD-O 3.31Å; R56-Y192 PolarHBondContact NH1-O 2.86Å; L76-Y192 WeakPolarHBondContact CD2-O 3.46Å; L188-Y192 HydrophobicContact CD2-CD2 4.38Å; L188-Y192 HydrophobicContact CD2-CE2 4.29Å; L188-Y192 WeakPolarHBondContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CD2 3.4Å; L188-Y192 PolarHBondContact O-N 2.82Å
193G78.6Confident70.3Confident29 Ų2974.2 Ų74.230%0.29943%0.431SS..  trans-93.65.8-175.300000115.4L76 I189 D195L76-G193 VanDerWaalsContact CD2-CA 3.49Å; I189-G193 WeakPolarHBondContact O-CA 3.46Å; I189-G193 PolarHBondContact O-N 3.12Å; G193-D195 PolarHBondContact O-N 3.32Å
194G67.2Low67.5Low36 Ų3675.4 Ų75.437%0.37145%0.452SS..SBendtrans-50.2138.416300000110.4
195D51.3Low64.9Low113 Ų11379.8 Ų79.860%0.60449%0.488SS*.  trans-48.9144.3-172.7-65.1-51.8000110.5G193 E197 E198G193-D195 PolarHBondContact O-N 3.32Å; D195-E197 HydrophobicContact CB-CB 3.71Å; D195-E197 PolarHBondContact O-N 2.92Å; D195-E198 PolarHBondContact O-N 2.93Å
196D51.2Low62.1Low106 Ų10683.4 Ų83.457%0.56753%0.525SS*.THydrogen-bonded Turntrans-50.1-13.8163.4-93.1-33.9000111.3
197E44.3Very low59.5Low156 Ų15685.8 Ų85.873%0.72955%0.551SS**THydrogen-bonded Turntrans-78.5-25.6175.8-155.2167.9-170.800115.3D195 T200D195-E197 HydrophobicContact CB-CB 3.71Å; D195-E197 PolarHBondContact O-N 2.92Å; E197-T200 PolarHBondContact O-OG1 3.35Å
198E41.4Very low57.3Low150 Ų15085.3 Ų85.370%0.70155%0.546SS*.THydrogen-bonded Turntrans-87.7-20.1175.3-152.6-178.4-177.600111.9D195 G201D195-E198 PolarHBondContact O-N 2.93Å; E198-G201 PolarHBondContact O-N 3.27Å
199L44.9Very low55.3Low82 Ų8289.7 Ų89.743%0.42958%0.578SS.*THydrogen-bonded Turntrans-81.7-9.7174.4-106.685.9000114.9G201L199-G201 VanDerWaalsContact C-N 3.26Å
200T45.6Very low53.9Low85 Ų8597.5 Ų97.552%0.52161%0.614SS.*THydrogen-bonded Turntrans-80-10.9165.757.10000112.1E197E197-T200 PolarHBondContact O-OG1 3.35Å
201G40.3Very low53.3Low71 Ų7194.3 Ų94.373%0.73260%0.597SS**SBendtrans-109-9.6-171.500000117.3E198 L199E198-G201 PolarHBondContact O-N 3.27Å; L199-G201 VanDerWaalsContact C-N 3.26Å
202G38.3Very low52.8Low47 Ų4793.8 Ų93.849%0.48560%0.598SS.*SBendtrans-14090.7-16600000115.6
203T39.7Very low52.2Low146 Ų14699.8 Ų99.890%0.89663%0.629SS**SBendtrans69.787.9156.663.50000118.4
204A39.1Very low52.3Low101 Ų101100.1 Ų100.184%0.83563%0.632SS**  170.4122.7106.500000112.2
205A40Very low53.2Low104 Ų104102.5 Ų102.586%0.8664%0.639SS**  trans71.783.2159.300000118.6
206G36.5Very low55Low75 Ų7599.6 Ų99.677%0.77363%0.628SS**  trans72.894.1135.500000118.3
207G40.3Very low56.9Low65 Ų6598.4 Ų98.467%0.6762%0.621SS**SBend111.5-3.8120.100000119.7
208Y47.3Very low59.1Low127 Ų12797 Ų9750%0.49862%0.616SS.*  trans-146.372.2178.3-53.2-83.7000111.3E210 L211 V235Y208-E210 PolarHBondContact O-N 3.36Å; Y208-L211 HydrophobicContact CG-CD2 4.44Å; Y208-V235 HydrophobicContact CD2-CG2 3.4Å; Y208-V235 VanDerWaalsContact CD2-CG2 3.4Å; Y208-V235 HydrophobicContact CE2-CG2 3.93Å; Y208-V235 HydrophobicContact CG-CG2 3.79Å
209S51.6Low61.4Low101 Ų10193 Ų9371%0.70660%0.602SS**SBendtrans-72.3-10.6178.4-63.10000113.6
210E63.9Low63.5Low182 Ų18296.3 Ų96.385%0.8562%0.619SS**SBendtrans-132.4102173.3-164.6172.4-168.900107.5Y208Y208-E210 PolarHBondContact O-N 3.36Å
211L78.2Confident65.5Low50 Ų5096.6 Ų96.626%0.26263%0.625SS.*PPolyproline II helixtrans-87142.8172.2-65.8176000108.6Y208 E213 V228 V235Y208-L211 HydrophobicContact CG-CD2 4.44Å; L211-E213 PolarHBondContact O-N 2.87Å; L211-V228 HydrophobicContact CB-CG1 4.12Å; L211-V228 HydrophobicContact CD1-CG1 4.38Å; L211-V228 HydrophobicContact CD2-CG1 3.98Å; L211-V228 HydrophobicContact CG-CG1 4.39Å; L211-V235 HydrophobicContact CD2-CG1 3.95Å; L211-V235 HydrophobicContact CD2-CG2 3.87Å
212P79.8Confident67.9Low82 Ų8296.1 Ų96.153%0.53260%0.603SS.*PPolyproline II helixtrans-53.6139.1176.2-25.533.1000112.1G214 V228P212-G214 PolarHBondContact O-N 2.87Å; P212-V228 HydrophobicContact CB-CG2 4.31Å; P212-V228 HydrophobicContact CG-CG2 4.44Å
213E76.6Confident70.5Confident188 Ų18899 Ų9988%0.87960%0.599SS**PPolyproline II helixtrans-59.3135.6174.3-166.3179.9175.100110L211L211-E213 PolarHBondContact O-N 2.87Å
214G81.8Confident73.2Confident36 Ų3694.4 Ų94.437%0.37157%0.567SS.*PPolyproline II helixtrans-64.8141.5177.300000111.1P212 F226P212-G214 PolarHBondContact O-N 2.87Å; G214-F226 CarbonylContact C-O 3.54Å; G214-F226 WeakPolarHBondContact CA-O 3.25Å
215T85.4Confident75.8Confident85 Ų8592.4 Ų92.452%0.52154%0.539SS..EExtended strand (participates in β ladder)trans-112.6159176.4-172.10000111.2F226T215-F226 HydrophobicContact CG2-CB 3.85Å; T215-F226 HydrophobicContact CG2-CD2 4.11Å; T215-F226 HydrophobicContact CG2-CG 4.27Å; T215-F226 PolarHBondContact N-O 2.62Å; T215-F226 PolarHBondContact O-N 2.79Å
216S89.9Confident78.4Confident53 Ų5390.7 Ų90.737%0.37151%0.512SS..EExtended strand (participates in β ladder)trans-138.9144.1172.875.80000111.8F224S216-F224 CarbonylContact C-O 3.52Å; S216-F224 WeakPolarHBondContact CA-O 3.14Å; S216-F224 WeakPolarHBondContact CB-O 3.48Å
217I90.6Very high81Confident80 Ų8089 Ų8941%0.4149%0.486SS..EExtended strand (participates in β ladder)trans-124143.4175.865.8-177.2000109.3V219 R223 F224 F226I217-V219 HydrophobicContact CD1-CG2 4.43Å; I217-V219 HydrophobicContact CG1-CG2 4.43Å; I217-R223 WeakPolarHBondContact O-CA 3.47Å; I217-F224 HydrophobicContact CD1-CB 4.43Å; I217-F224 HydrophobicContact CG1-CB 3.87Å; I217-F224 HydrophobicContact CG1-CD2 4.38Å; I217-F224 PolarHBondContact N-O 2.85Å; I217-F224 PolarHBondContact O-N 3.27Å; I217-F226 HydrophobicContact CD1-CE2 3.87Å; I217-F226 HydrophobicContact CD1-CZ 4.25Å; I217-F226 HydrophobicContact CG1-CE2 3.99Å
218M90.8Very high83.4Confident127 Ų12787.4 Ų87.463%0.62646%0.463SS*.EExtended strand (participates in β ladder)trans-104.1127.5173.1-175.2170.3-77.300108.8K222M218-K222 WeakPolarHBondContact CA-O 3.33Å
219V89.8Confident85.2Confident67 Ų6782 Ų8241%0.40645%0.446SS..EExtended strand (participates in β ladder)trans-133.5117.5176.4-175.70000107.1I217 S221 K222 F224I217-V219 HydrophobicContact CD1-CG2 4.43Å; I217-V219 HydrophobicContact CG1-CG2 4.43Å; V219-S221 PolarHBondContact O-N 2.85Å; V219-K222 PolarHBondContact N-O 2.86Å; V219-K222 WeakPolarHBondContact O-CA 3.45Å; V219-K222 WeakPolarHBondContact O-CB 3.28Å; V219-K222 PolarHBondContact O-N 2.83Å; V219-K222 VanDerWaalsContact O-O 3.05Å; V219-F224 HydrophobicContact CB-CE2 4.23Å; V219-F224 HydrophobicContact CG2-CD2 4.36Å; V219-F224 HydrophobicContact CG2-CE2 4.43Å
220D88.9Confident86.7Confident150 Ų15080.4 Ų80.480%0.80244%0.435SS*.THydrogen-bonded Turntrans51.4-123.2-172.4-52.2-42000112.5K222D220-K222 VanDerWaalsContact C-N 3.33Å
221S86.6Confident87.3Confident92 Ų9275.2 Ų75.264%0.64341%0.413SS*.THydrogen-bonded Turntrans-90.38.5176.358.80000113.7V219V219-S221 PolarHBondContact O-N 2.85Å
222K91.6Very high87.2Confident61 Ų6181.3 Ų81.327%0.26544%0.437SS..EExtended strand (participates in β ladder)trans-112.9145.9-176-55.6-179.6-176.3-154.40110.9M218 V219 D220 F224 E241 V242 K243M218-K222 WeakPolarHBondContact CA-O 3.33Å; V219-K222 PolarHBondContact N-O 2.86Å; V219-K222 WeakPolarHBondContact O-CA 3.45Å; V219-K222 WeakPolarHBondContact O-CB 3.28Å; V219-K222 PolarHBondContact O-N 2.83Å; V219-K222 VanDerWaalsContact O-O 3.05Å; D220-K222 VanDerWaalsContact C-N 3.33Å; K222-F224 HydrophobicContact CB-CE2 3.97Å; K222-F224 HydrophobicContact CB-CZ 4.37Å; K222-F224 HydrophobicContact CD-CE2 4.25Å; K222-F224 HydrophobicContact CD-CZ 3.98Å; K222-E241 HydrophobicContact CD-CG 4.2Å; K222-E241 VanDerWaalsContact CD-OE1 3.25Å; K222-E241 WeakPolarHBondContact CD-OE1 3.42Å; K222-E241 WeakPolarHBondContact CE-OE1 3.49Å; K222-E241 IonicContact NZ-OE1 3.54Å; K222-E241 PolarHBondContact NZ-OE1 3.08Å; K222-E241 IonicContact NZ-OE2 2.96Å; K222-V242 WeakPolarHBondContact CA-O 3.27Å; K222-K243 HydrophobicContact CG-CD 4.48Å; K222-K243 HydrophobicContact CG-CG 4.03Å
223R92.9Very high87.1Confident107 Ų10786.5 Ų86.540%0.40445%0.447SS..EExtended strand (participates in β ladder)trans-117.1127.9167.2-168-177.8-67.8-156.52.9109.5I217 F225 V242I217-R223 WeakPolarHBondContact O-CA 3.47Å; R223-F225 HydrophobicContact CB-CE2 4.15Å; R223-F225 VanDerWaalsContact CD-CE2 3.46Å; R223-F225 HydrophobicContact CG-CD2 4.28Å; R223-F225 HydrophobicContact CG-CE2 3.77Å; R223-F225 HydrophobicContact CG-CZ 4.04Å; R223-V242 PolarHBondContact N-O 3.07Å; R223-V242 PolarHBondContact O-N 3.19Å
224F95.8Very high87.4Confident50 Ų5079.1 Ų79.122%0.21942%0.422CS..EExtended strand (participates in β ladder)trans-102.2128173.5-63.2-88.4000109.3S216 I217 V219 K222 F226 S240 E241S216-F224 CarbonylContact C-O 3.52Å; S216-F224 WeakPolarHBondContact CA-O 3.14Å; S216-F224 WeakPolarHBondContact CB-O 3.48Å; I217-F224 HydrophobicContact CD1-CB 4.43Å; I217-F224 HydrophobicContact CG1-CB 3.87Å; I217-F224 HydrophobicContact CG1-CD2 4.38Å; I217-F224 PolarHBondContact N-O 2.85Å; I217-F224 PolarHBondContact O-N 3.27Å; V219-F224 HydrophobicContact CB-CE2 4.23Å; V219-F224 HydrophobicContact CG2-CD2 4.36Å; V219-F224 HydrophobicContact CG2-CE2 4.43Å; K222-F224 HydrophobicContact CB-CE2 3.97Å; K222-F224 HydrophobicContact CB-CZ 4.37Å; K222-F224 HydrophobicContact CD-CE2 4.25Å; K222-F224 HydrophobicContact CD-CZ 3.98Å; F224-F226 HydrophobicContact CB-CE2 3.94Å; F224-F226 HydrophobicContact CB-CZ 4.38Å; F224-S240 CarbonylContact C-O 3.47Å; F224-S240 VanDerWaalsContact CA-O 3.25Å; F224-S240 WeakPolarHBondContact CA-O 3.28Å; F224-E241 HydrophobicContact CD1-CB 4.02Å; F224-E241 HydrophobicContact CD1-CG 4.35Å; F224-E241 HydrophobicContact CE1-CB 3.73Å; F224-E241 HydrophobicContact CE1-CG 3.73Å; F224-E241 HydrophobicContact CZ-CG 4.1Å
225F93Very high87.7Confident59 Ų5978.2 Ų78.226%0.25941%0.409SS..EExtended strand (participates in β ladder)trans-108.6138.5174.2-65.4-96.6000109.7R223 V239 S240 V242R223-F225 HydrophobicContact CB-CE2 4.15Å; R223-F225 VanDerWaalsContact CD-CE2 3.46Å; R223-F225 HydrophobicContact CG-CD2 4.28Å; R223-F225 HydrophobicContact CG-CE2 3.77Å; R223-F225 HydrophobicContact CG-CZ 4.04Å; F225-V239 CarbonylContact O-C 3.54Å; F225-V239 VanDerWaalsContact O-CA 3.29Å; F225-V239 WeakPolarHBondContact O-CA 3.39Å; F225-S240 PolarHBondContact N-O 2.73Å; F225-S240 PolarHBondContact O-N 2.88Å; F225-V242 HydrophobicContact CD2-CB 4.48Å; F225-V242 HydrophobicContact CD2-CG2 3.69Å; F225-V242 HydrophobicContact CE2-CB 4.1Å; F225-V242 HydrophobicContact CE2-CG2 3.63Å
226F95.2Very high88Confident67 Ų6774.7 Ų74.729%0.29439%0.387SS..EExtended strand (participates in β ladder)trans-121.391.1177.5-62.2-94.9000107.5G214 T215 I217 F224 L237 V239G214-F226 CarbonylContact C-O 3.54Å; G214-F226 WeakPolarHBondContact CA-O 3.25Å; T215-F226 HydrophobicContact CG2-CB 3.85Å; T215-F226 HydrophobicContact CG2-CD2 4.11Å; T215-F226 HydrophobicContact CG2-CG 4.27Å; T215-F226 PolarHBondContact N-O 2.62Å; T215-F226 PolarHBondContact O-N 2.79Å; I217-F226 HydrophobicContact CD1-CE2 3.87Å; I217-F226 HydrophobicContact CD1-CZ 4.25Å; I217-F226 HydrophobicContact CG1-CE2 3.99Å; F224-F226 HydrophobicContact CB-CE2 3.94Å; F224-F226 HydrophobicContact CB-CZ 4.38Å; F226-L237 HydrophobicContact CB-CD1 4.18Å; F226-V239 HydrophobicContact CD1-CG1 4.21Å; F226-V239 HydrophobicContact CD1-CG2 3.91Å; F226-V239 HydrophobicContact CE1-CG1 3.89Å; F226-V239 HydrophobicContact CE1-CG2 4.13Å; F226-V239 HydrophobicContact CZ-CG1 4.37Å
227D91.1Very high88.2Confident40 Ų4073.8 Ų73.821%0.21438%0.378CS..EExtended strand (participates in β ladder)trans-101.3121.4-176.9-49.4-45.3000109.5R238D227-R238 HydrophobicContact CB-CB 4.41Å; D227-R238 PolarHBondContact N-O 2.68Å; D227-R238 PolarHBondContact O-N 3.38Å; D227-R238 IonicContact OD2-CZ 3.75Å; D227-R238 IonicContact OD2-NE 3.87Å; D227-R238 PolarHBondContact OD2-NE 3.27Å; D227-R238 IonicContact OD2-NH2 2.81Å; D227-R238 PolarHBondContact OD2-NH2 2.86Å
228V89.9Confident88.4Confident31 Ų3171.4 Ų71.419%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-84.9128.8166.5-176.30000108.5L211 P212 V235 F236 L237 W257L211-V228 HydrophobicContact CB-CG1 4.12Å; L211-V228 HydrophobicContact CD1-CG1 4.38Å; L211-V228 HydrophobicContact CD2-CG1 3.98Å; L211-V228 HydrophobicContact CG-CG1 4.39Å; P212-V228 HydrophobicContact CB-CG2 4.31Å; P212-V228 HydrophobicContact CG-CG2 4.44Å; V228-V235 HydrophobicContact CG1-CG1 3.74Å; V228-F236 WeakPolarHBondContact CA-O 3.1Å; V228-L237 HydrophobicContact CG2-CD1 4.14Å; V228-W257 HydrophobicContact CB-CH2 4.45Å; V228-W257 HydrophobicContact CG1-CH2 3.71Å; V228-W257 HydrophobicContact CG1-CZ2 4.19Å; V228-W257 HydrophobicContact CG2-CH2 3.87Å; V228-W257 HydrophobicContact CG2-CZ2 4.45Å
229G85.8Confident88.6Confident13 Ų1366.5 Ų66.513%0.13434%0.341CS..EExtended strand (participates in β ladder)trans-135.7162.7177.200000111.4V235 F236G229-V235 CarbonylContact O-C 3.55Å; G229-V235 WeakPolarHBondContact O-CA 3.28Å; G229-F236 PolarHBondContact N-O 2.84Å; G229-F236 WeakPolarHBondContact O-CD1 3.44Å; G229-F236 PolarHBondContact O-N 2.96Å
230S84.1Confident88.8Confident69 Ų6963.3 Ų63.348%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-118.9149.4168.359.30000110.1
231N76.7Confident89Confident72 Ų7258.2 Ų58.239%0.38529%0.293SS..EExtended strand (participates in β ladder)trans-142.5-177.1168.56429.7000108.6Y233 G234 F236N231-Y233 PolarHBondContact O-N 3.49Å; N231-Y233 WeakPolarHBondContact OD1-CA 3.23Å; N231-Y233 VanDerWaalsContact OD1-CB 3.28Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.37Å; N231-Y233 PolarHBondContact OD1-N 2.87Å; N231-G234 PolarHBondContact N-O 3.17Å; N231-G234 PolarHBondContact O-N 2.82Å; N231-G234 PolarHBondContact OD1-N 3.42Å; N231-G234 PolarHBondContact OD1-O 3.24Å; N231-F236 HydrophobicContact CB-CE1 4.09Å
232K76.1Confident89.2Confident178 Ų17855.8 Ų55.877%0.77427%0.274SS*.THydrogen-bonded Turntrans-58.2-14.9178.470-176.9-176.3-178.90115.2
233Y76.6Confident89.1Confident191 Ų19156.4 Ų56.475%0.74928%0.276SS*.THydrogen-bonded Turntrans-98.5-1.6177.9-56.3-74000113.1N231N231-Y233 PolarHBondContact O-N 3.49Å; N231-Y233 WeakPolarHBondContact OD1-CA 3.23Å; N231-Y233 VanDerWaalsContact OD1-CB 3.28Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.37Å; N231-Y233 PolarHBondContact OD1-N 2.87Å
234G82.9Confident88.4Confident34 Ų3457.2 Ų57.235%0.35130%0.295SS..EExtended strand (participates in β ladder)trans115.5-167.7177.400000113.9N231N231-G234 PolarHBondContact N-O 3.17Å; N231-G234 PolarHBondContact O-N 2.82Å; N231-G234 PolarHBondContact OD1-N 3.42Å; N231-G234 PolarHBondContact OD1-O 3.24Å
235V88.8Confident87.7Confident16 Ų1660.3 Ų60.310%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-77.4142.3179.3179.80000110.8Y208 L211 V228 G229 F254 W257Y208-V235 HydrophobicContact CD2-CG2 3.4Å; Y208-V235 VanDerWaalsContact CD2-CG2 3.4Å; Y208-V235 HydrophobicContact CE2-CG2 3.93Å; Y208-V235 HydrophobicContact CG-CG2 3.79Å; L211-V235 HydrophobicContact CD2-CG1 3.95Å; L211-V235 HydrophobicContact CD2-CG2 3.87Å; V228-V235 HydrophobicContact CG1-CG1 3.74Å; G229-V235 CarbonylContact O-C 3.55Å; G229-V235 WeakPolarHBondContact O-CA 3.28Å; V235-F254 HydrophobicContact CB-CB 4.02Å; V235-F254 HydrophobicContact CB-CG 4.43Å; V235-F254 HydrophobicContact CG1-CB 4.4Å; V235-F254 HydrophobicContact CG1-CD2 4.39Å; V235-F254 VanDerWaalsContact O-CB 3.23Å; V235-F254 WeakPolarHBondContact O-CB 3.18Å; V235-F254 PolarHBondContact O-N 2.86Å; V235-W257 HydrophobicContact CG1-CH2 3.93Å; V235-W257 HydrophobicContact CG1-CZ2 3.96Å
236F91.9Very high87.2Confident12 Ų1263 Ų635%0.05333%0.333CS..EExtended strand (participates in β ladder)trans-143.5156.4177.465.6-92.5000111.8V228 G229 N231 R238 T251 I252V228-F236 WeakPolarHBondContact CA-O 3.1Å; G229-F236 PolarHBondContact N-O 2.84Å; G229-F236 WeakPolarHBondContact O-CD1 3.44Å; G229-F236 PolarHBondContact O-N 2.96Å; N231-F236 HydrophobicContact CB-CE1 4.09Å; F236-R238 HydrophobicContact CD2-CB 4.33Å; F236-R238 HydrophobicContact CE2-CB 4.14Å; F236-T251 HydrophobicContact CB-CG2 3.79Å; F236-T251 HydrophobicContact CD2-CG2 3.58Å; F236-T251 HydrophobicContact CE2-CG2 4.36Å; F236-T251 HydrophobicContact CG-CG2 3.79Å; F236-I252 CarbonylContact C-O 3.53Å; F236-I252 VanDerWaalsContact CA-O 3.31Å; F236-I252 WeakPolarHBondContact CA-O 3.31Å
237L94.1Very high86.8Confident33 Ų3365.6 Ų65.617%0.17334%0.341CS..EExtended strand (participates in β ladder)trans-106.6122.2171.1175.365.7000107.8F226 V228 V239 I252 W257F226-L237 HydrophobicContact CB-CD1 4.18Å; V228-L237 HydrophobicContact CG2-CD1 4.14Å; L237-V239 HydrophobicContact CD2-CG2 4.05Å; L237-V239 HydrophobicContact CG-CG2 4.01Å; L237-I252 HydrophobicContact CD2-CD1 4.49Å; L237-I252 PolarHBondContact N-O 2.74Å; L237-I252 PolarHBondContact O-N 2.82Å; L237-W257 HydrophobicContact CB-CZ2 3.62Å
238R94.4Very high86.9Confident31 Ų3167.3 Ų67.312%0.11735%0.35CS..EExtended strand (participates in β ladder)trans-100.1115172.1-173.6176.965.4-161.1-8.4109.4D227 F236 I250D227-R238 HydrophobicContact CB-CB 4.41Å; D227-R238 PolarHBondContact N-O 2.68Å; D227-R238 PolarHBondContact O-N 3.38Å; D227-R238 IonicContact OD2-CZ 3.75Å; D227-R238 IonicContact OD2-NE 3.87Å; D227-R238 PolarHBondContact OD2-NE 3.27Å; D227-R238 IonicContact OD2-NH2 2.81Å; D227-R238 PolarHBondContact OD2-NH2 2.86Å; F236-R238 HydrophobicContact CD2-CB 4.33Å; F236-R238 HydrophobicContact CE2-CB 4.14Å; R238-I250 WeakPolarHBondContact CA-O 3.43Å
239V94.4Very high87Confident24 Ų2468.2 Ų68.215%0.14536%0.358CS..EExtended strand (participates in β ladder)trans-99.8116.8174.1-173.50000108.2F225 F226 L237 S249 I250 I252F225-V239 CarbonylContact O-C 3.54Å; F225-V239 VanDerWaalsContact O-CA 3.29Å; F225-V239 WeakPolarHBondContact O-CA 3.39Å; F226-V239 HydrophobicContact CD1-CG1 4.21Å; F226-V239 HydrophobicContact CD1-CG2 3.91Å; F226-V239 HydrophobicContact CE1-CG1 3.89Å; F226-V239 HydrophobicContact CE1-CG2 4.13Å; F226-V239 HydrophobicContact CZ-CG1 4.37Å; L237-V239 HydrophobicContact CD2-CG2 4.05Å; L237-V239 HydrophobicContact CG-CG2 4.01Å; V239-S249 CarbonylContact O-C 3.55Å; V239-S249 WeakPolarHBondContact O-CA 3.43Å; V239-S249 WeakPolarHBondContact O-CB 3.5Å; V239-I250 HydrophobicContact CB-CD1 4.46Å; V239-I250 HydrophobicContact CB-CG1 3.95Å; V239-I250 PolarHBondContact N-O 3.25Å; V239-I250 PolarHBondContact O-N 2.88Å; V239-I252 HydrophobicContact CG2-CD1 4.07Å
240S94.3Very high87.4Confident0 Ų071.6 Ų71.60%037%0.372CS..EExtended strand (participates in β ladder)trans-118.3122.3-177.1-51.60000111.9F224 F225 R247 N248 S249F224-S240 CarbonylContact C-O 3.47Å; F224-S240 VanDerWaalsContact CA-O 3.25Å; F224-S240 WeakPolarHBondContact CA-O 3.28Å; F225-S240 PolarHBondContact N-O 2.73Å; F225-S240 PolarHBondContact O-N 2.88Å; S240-R247 PolarHBondContact OG-NH2 2.81Å; S240-N248 CarbonylContact C-O 3.5Å; S240-N248 VanDerWaalsContact CA-O 3.3Å; S240-N248 WeakPolarHBondContact CA-O 3.35Å; S240-S249 WeakPolarHBondContact OG-CB 3.45Å
241E92.9Very high87.9Confident43 Ų4372 Ų7220%0.20137%0.371CS..EExtended strand (participates in β ladder)trans-87.3124.6166.6-179.1-176.116100109.4K222 F224 R247 N248K222-E241 HydrophobicContact CD-CG 4.2Å; K222-E241 VanDerWaalsContact CD-OE1 3.25Å; K222-E241 WeakPolarHBondContact CD-OE1 3.42Å; K222-E241 WeakPolarHBondContact CE-OE1 3.49Å; K222-E241 IonicContact NZ-OE1 3.54Å; K222-E241 PolarHBondContact NZ-OE1 3.08Å; K222-E241 IonicContact NZ-OE2 2.96Å; F224-E241 HydrophobicContact CD1-CB 4.02Å; F224-E241 HydrophobicContact CD1-CG 4.35Å; F224-E241 HydrophobicContact CE1-CB 3.73Å; F224-E241 HydrophobicContact CE1-CG 3.73Å; F224-E241 HydrophobicContact CZ-CG 4.1Å; E241-R247 WeakPolarHBondContact O-CA 3.23Å; E241-N248 PolarHBondContact N-O 2.99Å; E241-N248 PolarHBondContact O-N 2.76Å
242V90.9Very high88.7Confident40 Ų4069.1 Ų69.124%0.24236%0.356CS..EExtended strand (participates in β ladder)trans-124.2126.6-179.2-174.50000110.8K222 R223 F225 R247K222-V242 WeakPolarHBondContact CA-O 3.27Å; R223-V242 PolarHBondContact N-O 3.07Å; R223-V242 PolarHBondContact O-N 3.19Å; F225-V242 HydrophobicContact CD2-CB 4.48Å; F225-V242 HydrophobicContact CD2-CG2 3.69Å; F225-V242 HydrophobicContact CE2-CB 4.1Å; F225-V242 HydrophobicContact CE2-CG2 3.63Å; V242-R247 HydrophobicContact CG2-CG 4.07Å
243K88.9Confident89.5Confident74 Ų7463.4 Ų63.432%0.32234%0.337SS..  trans-119.5164.1165.3-68.9-176179.4-176.40109.4K222 S245 Y246K222-K243 HydrophobicContact CG-CD 4.48Å; K222-K243 HydrophobicContact CG-CG 4.03Å; K243-S245 PolarHBondContact O-N 2.8Å; K243-S245 VanDerWaalsContact O-N 3.15Å; K243-Y246 WeakPolarHBondContact CA-O 3.25Å; K243-Y246 PolarHBondContact N-O 3.41Å; K243-Y246 PolarHBondContact O-N 2.82Å
244P78.9Confident90.2Very high124 Ų12458.9 Ų58.981%0.80532%0.321SS*.SBendtrans-54.2-35.1178-28.936.3000114.9
245S80.8Confident90.6Very high116 Ų11666.3 Ų66.381%0.81134%0.344SS*.SBendtrans-105-9-178.355.30000114.5K243K243-S245 PolarHBondContact O-N 2.8Å; K243-S245 VanDerWaalsContact O-N 3.15Å
246Y81.6Confident90.8Very high116 Ų11667 Ų6746%0.45535%0.351SS..  trans-145.4134.5-166.2-178.9-106.3000111.5K243 N248K243-Y246 WeakPolarHBondContact CA-O 3.25Å; K243-Y246 PolarHBondContact N-O 3.41Å; K243-Y246 PolarHBondContact O-N 2.82Å; Y246-N248 HydrophobicContact CE1-CB 3.6Å; Y246-N248 WeakPolarHBondContact OH-CB 3.32Å; Y246-N248 PolarHBondContact OH-ND2 2.84Å
247R88.7Confident90.9Very high121 Ų12169.6 Ų69.646%0.45736%0.361SS..EExtended strand (participates in β ladder)trans-133.3123.6173.5179.5172.2-165.6-68.1-1.8109S240 E241 V242S240-R247 PolarHBondContact OG-NH2 2.81Å; E241-R247 WeakPolarHBondContact O-CA 3.23Å; V242-R247 HydrophobicContact CG2-CG 4.07Å
248N91.4Very high90.8Very high76 Ų7671.2 Ų71.241%0.40639%0.385SS..EExtended strand (participates in β ladder)trans-121.3148.3173.6-163.69.7000109.6S240 E241 Y246S240-N248 CarbonylContact C-O 3.5Å; S240-N248 VanDerWaalsContact CA-O 3.3Å; S240-N248 WeakPolarHBondContact CA-O 3.35Å; E241-N248 PolarHBondContact N-O 2.99Å; E241-N248 PolarHBondContact O-N 2.76Å; Y246-N248 HydrophobicContact CE1-CB 3.6Å; Y246-N248 WeakPolarHBondContact OH-CB 3.32Å; Y246-N248 PolarHBondContact OH-ND2 2.84Å
249S92.9Very high90.8Very high50 Ų5078.1 Ų78.135%0.3542%0.416SS..EExtended strand (participates in β ladder)trans-153.2145.8176.956.20000112.7V239 S240V239-S249 CarbonylContact O-C 3.55Å; V239-S249 WeakPolarHBondContact O-CA 3.43Å; V239-S249 WeakPolarHBondContact O-CB 3.5Å; S240-S249 WeakPolarHBondContact OG-CB 3.45Å
250I94.2Very high90.8Very high84 Ų8481.7 Ų81.743%0.43143%0.43SS..EExtended strand (participates in β ladder)trans-115.2152.7170.462.5171.7000109.9R238 V239 I252 F260R238-I250 WeakPolarHBondContact CA-O 3.43Å; V239-I250 HydrophobicContact CB-CD1 4.46Å; V239-I250 HydrophobicContact CB-CG1 3.95Å; V239-I250 PolarHBondContact N-O 3.25Å; V239-I250 PolarHBondContact O-N 2.88Å; I250-I252 HydrophobicContact CD1-CD1 3.96Å; I250-I252 HydrophobicContact CD1-CG1 4.14Å; I250-I252 HydrophobicContact CG1-CD1 4.47Å; I250-I252 HydrophobicContact CG1-CG1 4.4Å; I250-F260 HydrophobicContact CD1-CE2 4.3Å; I250-F260 HydrophobicContact CD1-CZ 4.18Å
251T94.1Very high90.8Very high76 Ų7683.1 Ų83.147%0.46645%0.445SS..EExtended strand (participates in β ladder)trans-118.7122.4175.7-61.80000109.1F236F236-T251 HydrophobicContact CB-CG2 3.79Å; F236-T251 HydrophobicContact CD2-CG2 3.58Å; F236-T251 HydrophobicContact CE2-CG2 4.36Å; F236-T251 HydrophobicContact CG-CG2 3.79Å
252I93.9Very high90.8Very high13 Ų1383 Ų837%0.06746%0.456CS..EExtended strand (participates in β ladder)trans-114114.3-175.4-51.5165.1000107.8F236 L237 V239 I250 A256 W257 F260F236-I252 CarbonylContact C-O 3.53Å; F236-I252 VanDerWaalsContact CA-O 3.31Å; F236-I252 WeakPolarHBondContact CA-O 3.31Å; L237-I252 HydrophobicContact CD2-CD1 4.49Å; L237-I252 PolarHBondContact N-O 2.74Å; L237-I252 PolarHBondContact O-N 2.82Å; V239-I252 HydrophobicContact CG2-CD1 4.07Å; I250-I252 HydrophobicContact CD1-CD1 3.96Å; I250-I252 HydrophobicContact CD1-CG1 4.14Å; I250-I252 HydrophobicContact CG1-CD1 4.47Å; I250-I252 HydrophobicContact CG1-CG1 4.4Å; I252-A256 HydrophobicContact CG2-CB 4.06Å; I252-W257 PolarHBondContact O-NE1 2.91Å; I252-F260 HydrophobicContact CD1-CD1 3.86Å; I252-F260 HydrophobicContact CD1-CD2 3.83Å; I252-F260 HydrophobicContact CD1-CE1 3.73Å; I252-F260 HydrophobicContact CD1-CE2 3.69Å; I252-F260 HydrophobicContact CD1-CG 3.92Å; I252-F260 HydrophobicContact CD1-CZ 3.64Å; I252-F260 HydrophobicContact CG1-CD2 4.45Å; I252-F260 HydrophobicContact CG1-CE2 4.43Å; I252-F260 HydrophobicContact CG2-CB 4.38Å; I252-F260 HydrophobicContact CG2-CD2 4.49Å; I252-F260 HydrophobicContact CG2-CG 4.46Å
253P93.3Very high91Very high58 Ų5882.9 Ų82.938%0.37746%0.459SS..EExtended strand (participates in β ladder)trans-67.8147.1179.829.2-34.8000110.8K255 A256 W257P253-K255 HydrophobicContact CB-CG 4.21Å; P253-K255 HydrophobicContact CG-CG 4.26Å; P253-K255 PolarHBondContact O-N 2.79Å; P253-K255 VanDerWaalsContact O-N 3.1Å; P253-A256 HydrophobicContact CG-CB 4.13Å; P253-A256 WeakPolarHBondContact O-CB 3.34Å; P253-A256 PolarHBondContact O-N 2.87Å; P253-W257 VanDerWaalsContact O-CD1 3.23Å
254F90.5Very high91.3Very high95 Ų9586.3 Ų86.342%0.41747%0.474SS..G310 helixtrans-48.9-42.5-176.1-179.6-109.2000113.7V235 A256 W257V235-F254 HydrophobicContact CB-CB 4.02Å; V235-F254 HydrophobicContact CB-CG 4.43Å; V235-F254 HydrophobicContact CG1-CB 4.4Å; V235-F254 HydrophobicContact CG1-CD2 4.39Å; V235-F254 VanDerWaalsContact O-CB 3.23Å; V235-F254 WeakPolarHBondContact O-CB 3.18Å; V235-F254 PolarHBondContact O-N 2.86Å; F254-A256 PolarHBondContact O-N 3.09Å; F254-W257 AromaticContact CD2-CD2 3.73Å; F254-W257 HydrophobicContact CD2-CD2 3.73Å; F254-W257 AromaticContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CG 4.42Å; F254-W257 AromaticContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CZ2 4.1Å; F254-W257 AromaticContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CE2-CD2 4.38Å; F254-W257 AromaticContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CH2 4.47Å; F254-W257 AromaticContact CE2-CZ3 3.84Å; F254-W257 HydrophobicContact CE2-CZ3 3.84Å; F254-W257 WeakPolarHBondContact O-CB 3.09Å; F254-W257 PolarHBondContact O-N 2.83Å
255K90.9Very high92Very high190 Ų19083.9 Ų83.983%0.82646%0.459SS*.G310 helixtrans-56.9-17.8176.567.1-178.2-179.9-178.40115.2P253P253-K255 HydrophobicContact CB-CG 4.21Å; P253-K255 HydrophobicContact CG-CG 4.26Å; P253-K255 PolarHBondContact O-N 2.79Å; P253-K255 VanDerWaalsContact O-N 3.1Å
256A94.2Very high92.7Very high31 Ų3183.6 Ų83.626%0.25644%0.44SS..G310 helixtrans-103.5-7.7-179.700000113.5I252 P253 F254 G258 K259 F260I252-A256 HydrophobicContact CG2-CB 4.06Å; P253-A256 HydrophobicContact CG-CB 4.13Å; P253-A256 WeakPolarHBondContact O-CB 3.34Å; P253-A256 PolarHBondContact O-N 2.87Å; F254-A256 PolarHBondContact O-N 3.09Å; A256-G258 PolarHBondContact O-N 2.9Å; A256-K259 PolarHBondContact O-N 2.84Å; A256-F260 WeakPolarHBondContact O-CB 3.4Å; A256-F260 PolarHBondContact O-N 3.01Å
257W93.7Very high93.4Very high66 Ų6684.2 Ų84.225%0.2544%0.442CS..Hα-helixtrans-59.4-45.5-174.3-70.89.4000112.6V228 V235 L237 I252 P253 F254 K259 F260 G261V228-W257 HydrophobicContact CB-CH2 4.45Å; V228-W257 HydrophobicContact CG1-CH2 3.71Å; V228-W257 HydrophobicContact CG1-CZ2 4.19Å; V228-W257 HydrophobicContact CG2-CH2 3.87Å; V228-W257 HydrophobicContact CG2-CZ2 4.45Å; V235-W257 HydrophobicContact CG1-CH2 3.93Å; V235-W257 HydrophobicContact CG1-CZ2 3.96Å; L237-W257 HydrophobicContact CB-CZ2 3.62Å; I252-W257 PolarHBondContact O-NE1 2.91Å; P253-W257 VanDerWaalsContact O-CD1 3.23Å; F254-W257 AromaticContact CD2-CD2 3.73Å; F254-W257 HydrophobicContact CD2-CD2 3.73Å; F254-W257 AromaticContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CG 4.42Å; F254-W257 AromaticContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CZ2 4.1Å; F254-W257 AromaticContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CE2-CD2 4.38Å; F254-W257 AromaticContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CH2 4.47Å; F254-W257 AromaticContact CE2-CZ3 3.84Å; F254-W257 HydrophobicContact CE2-CZ3 3.84Å; F254-W257 WeakPolarHBondContact O-CB 3.09Å; F254-W257 PolarHBondContact O-N 2.83Å; W257-K259 VanDerWaalsContact C-N 3.31Å; W257-K259 PolarHBondContact O-N 2.78Å; W257-F260 PolarHBondContact O-N 2.98Å; W257-G261 PolarHBondContact O-N 3.18Å
258G92.1Very high93.7Very high67 Ų6781 Ų8169%0.69144%0.442SS*.Hα-helixtrans-59.7-39.8178.400000113.1A256 G262A256-G258 PolarHBondContact O-N 2.9Å; G258-G262 PolarHBondContact O-N 2.85Å
259K94.9Very high93.8Very high176 Ų17683.5 Ų83.577%0.76545%0.451SS*.Hα-helixtrans-70.1-42176.9-64.7-176.4-179.5-177.80111.7A256 W257 A263A256-K259 PolarHBondContact O-N 2.84Å; W257-K259 VanDerWaalsContact C-N 3.31Å; W257-K259 PolarHBondContact O-N 2.78Å; K259-A263 WeakPolarHBondContact O-CB 3.47Å; K259-A263 PolarHBondContact O-N 2.85Å
260F94.8Very high93.9Very high99 Ų9984.8 Ų84.843%0.43445%0.451SS..Hα-helixtrans-66.2-49.2180-168.1-85.9000111.4I250 I252 A256 W257 A263 F264I250-F260 HydrophobicContact CD1-CE2 4.3Å; I250-F260 HydrophobicContact CD1-CZ 4.18Å; I252-F260 HydrophobicContact CD1-CD1 3.86Å; I252-F260 HydrophobicContact CD1-CD2 3.83Å; I252-F260 HydrophobicContact CD1-CE1 3.73Å; I252-F260 HydrophobicContact CD1-CE2 3.69Å; I252-F260 HydrophobicContact CD1-CG 3.92Å; I252-F260 HydrophobicContact CD1-CZ 3.64Å; I252-F260 HydrophobicContact CG1-CD2 4.45Å; I252-F260 HydrophobicContact CG1-CE2 4.43Å; I252-F260 HydrophobicContact CG2-CB 4.38Å; I252-F260 HydrophobicContact CG2-CD2 4.49Å; I252-F260 HydrophobicContact CG2-CG 4.46Å; A256-F260 WeakPolarHBondContact O-CB 3.4Å; A256-F260 PolarHBondContact O-N 3.01Å; W257-F260 PolarHBondContact O-N 2.98Å; F260-A263 PolarHBondContact O-N 3.45Å; F260-F264 PolarHBondContact O-N 3.48Å
261G92.4Very high93.8Very high30 Ų3086.4 Ų86.431%0.30946%0.459SS..Hα-helixtrans-62.9-44.5176.200000112.2W257 A263 F264 C265W257-G261 PolarHBondContact O-N 3.18Å; G261-A263 VanDerWaalsContact C-N 3.34Å; G261-A263 PolarHBondContact O-N 2.8Å; G261-F264 WeakPolarHBondContact O-CB 3.39Å; G261-F264 PolarHBondContact O-N 2.96Å; G261-F264 VanDerWaalsContact O-N 3.12Å; G261-C265 PolarHBondContact O-N 2.77Å; G261-C265 PolarHBondContact O-SG 3.29Å; G261-C265 VanDerWaalsContact O-SG 3.41Å
262G93.1Very high93.7Very high42 Ų4288.7 Ų88.743%0.43346%0.462SS..Hα-helixtrans-60.1-41.4176.200000113G258 R266G258-G262 PolarHBondContact O-N 2.85Å; G262-R266 WeakPolarHBondContact O-CB 3.34Å; G262-R266 PolarHBondContact O-N 2.68Å
263A95.2Very high93.6Very high37 Ų3793.2 Ų93.231%0.30648%0.483SS..Hα-helixtrans-63.2-42.3173.900000111.8K259 F260 G261 Y267K259-A263 WeakPolarHBondContact O-CB 3.47Å; K259-A263 PolarHBondContact O-N 2.85Å; F260-A263 PolarHBondContact O-N 3.45Å; G261-A263 VanDerWaalsContact C-N 3.34Å; G261-A263 PolarHBondContact O-N 2.8Å; A263-Y267 HydrophobicContact CB-CE2 4.49Å; A263-Y267 WeakPolarHBondContact O-CD2 3.11Å; A263-Y267 PolarHBondContact O-N 2.94Å; A263-Y267 VanDerWaalsContact O-N 3.07Å
264F94.8Very high93.6Very high145 Ų14593.8 Ų93.864%0.63648%0.482SS*.Hα-helixtrans-62.5-48.1177.7-173.3-91.4000112.3F260 G261 R266 Y267 A268F260-F264 PolarHBondContact O-N 3.48Å; G261-F264 WeakPolarHBondContact O-CB 3.39Å; G261-F264 PolarHBondContact O-N 2.96Å; G261-F264 VanDerWaalsContact O-N 3.12Å; F264-R266 PolarHBondContact O-N 3Å; F264-Y267 PolarHBondContact O-N 2.99Å; F264-A268 WeakPolarHBondContact O-CB 3.48Å; F264-A268 PolarHBondContact O-N 3.49Å
265C95.1Very high93.5Very high73 Ų7395.6 Ų95.649%0.49349%0.492SS..Hα-helixtrans-59.2-47177.6-68.80000111.8G261 Y267 A268 E269G261-C265 PolarHBondContact O-N 2.77Å; G261-C265 PolarHBondContact O-SG 3.29Å; G261-C265 VanDerWaalsContact O-SG 3.41Å; C265-Y267 PolarHBondContact O-N 2.77Å; C265-A268 WeakPolarHBondContact O-CB 3.49Å; C265-A268 PolarHBondContact O-N 2.74Å; C265-A268 VanDerWaalsContact O-N 3.13Å; C265-E269 PolarHBondContact O-N 2.5Å
266R95.7Very high93.5Very high111 Ų11189.9 Ų89.942%0.41947%0.468SS..Hα-helixtrans-57.4-47.4177.1-179.6179.562.193.1-0.5112G262 F264 A268 E269 E270G262-R266 WeakPolarHBondContact O-CB 3.34Å; G262-R266 PolarHBondContact O-N 2.68Å; F264-R266 PolarHBondContact O-N 3Å; R266-A268 VanDerWaalsContact C-N 3.3Å; R266-A268 PolarHBondContact O-N 2.96Å; R266-E269 PolarHBondContact O-N 2.83Å; R266-E270 WeakPolarHBondContact CG-OE1 3.43Å; R266-E270 IonicContact CZ-OE1 3.86Å; R266-E270 IonicContact NH1-OE1 3.88Å; R266-E270 PolarHBondContact NH1-OE1 2.72Å; R266-E270 IonicContact NH1-OE2 3.58Å; R266-E270 WeakPolarHBondContact O-CG 3.44Å; R266-E270 PolarHBondContact O-N 2.95Å
267Y96.4Very high93.2Very high128 Ų12895.1 Ų95.150%0.50248%0.481SS..Hα-helixtrans-67.2-30.8178.2-72.4-52.8000113.1A263 F264 C265 M271A263-Y267 HydrophobicContact CB-CE2 4.49Å; A263-Y267 WeakPolarHBondContact O-CD2 3.11Å; A263-Y267 PolarHBondContact O-N 2.94Å; A263-Y267 VanDerWaalsContact O-N 3.07Å; F264-Y267 PolarHBondContact O-N 2.99Å; C265-Y267 PolarHBondContact O-N 2.77Å; Y267-M271 WeakPolarHBondContact O-CB 3.32Å; Y267-M271 VanDerWaalsContact O-CG 3.31Å; Y267-M271 WeakPolarHBondContact O-CG 3.25Å; Y267-M271 PolarHBondContact O-N 2.8Å
268A93.6Very high92.7Very high53 Ų5397.9 Ų97.944%0.43850%0.497SS..Hα-helixtrans-66.5-41.2174.900000111.8F264 C265 R266 K272F264-A268 WeakPolarHBondContact O-CB 3.48Å; F264-A268 PolarHBondContact O-N 3.49Å; C265-A268 WeakPolarHBondContact O-CB 3.49Å; C265-A268 PolarHBondContact O-N 2.74Å; C265-A268 VanDerWaalsContact O-N 3.13Å; R266-A268 VanDerWaalsContact C-N 3.3Å; R266-A268 PolarHBondContact O-N 2.96Å; A268-K272 PolarHBondContact O-N 3.21Å; A268-K272 VanDerWaalsContact O-N 3.1Å
269E93.4Very high92.3Very high130 Ų130100.9 Ų100.961%0.60749%0.488SS*.Hα-helixtrans-65.9-49.6174.8-70.7171.8177.700111.6C265 R266 M271 K272 E273C265-E269 PolarHBondContact O-N 2.5Å; R266-E269 PolarHBondContact O-N 2.83Å; E269-M271 VanDerWaalsContact C-N 3.26Å; E269-M271 PolarHBondContact O-N 2.98Å; E269-K272 WeakPolarHBondContact O-CB 3.26Å; E269-K272 PolarHBondContact O-N 2.74Å; E269-E273 PolarHBondContact O-N 3.23Å
270E95.1Very high91.4Very high76 Ų7696.3 Ų96.336%0.35547%0.471SS..Hα-helixtrans-56.1-41.1177.1-73.3174.3-162.400111.5R266 E273 I274R266-E270 WeakPolarHBondContact CG-OE1 3.43Å; R266-E270 IonicContact CZ-OE1 3.86Å; R266-E270 IonicContact NH1-OE1 3.88Å; R266-E270 PolarHBondContact NH1-OE1 2.72Å; R266-E270 IonicContact NH1-OE2 3.58Å; R266-E270 WeakPolarHBondContact O-CG 3.44Å; R266-E270 PolarHBondContact O-N 2.95Å; E270-E273 PolarHBondContact O-N 2.85Å; E270-I274 VanDerWaalsContact O-CG1 3.29Å; E270-I274 WeakPolarHBondContact O-CG1 3.32Å; E270-I274 PolarHBondContact O-N 3.08Å; E270-I274 VanDerWaalsContact O-N 3.15Å
271M92.7Very high90.7Very high118 Ų11898.5 Ų98.558%0.58148%0.481SS*.Hα-helixtrans-67.1-36.8176.4-79.9-67.6177.600113Y267 E269 I274 Q275Y267-M271 WeakPolarHBondContact O-CB 3.32Å; Y267-M271 VanDerWaalsContact O-CG 3.31Å; Y267-M271 WeakPolarHBondContact O-CG 3.25Å; Y267-M271 PolarHBondContact O-N 2.8Å; E269-M271 VanDerWaalsContact C-N 3.26Å; E269-M271 PolarHBondContact O-N 2.98Å; M271-I274 PolarHBondContact O-N 2.82Å; M271-I274 HydrophobicContact SD-CD1 4.48Å; M271-Q275 WeakPolarHBondContact O-CG 3.47Å; M271-Q275 PolarHBondContact O-N 3.5Å
272K92.5Very high89.7Confident125 Ų125104 Ų10454%0.54350%0.5SS..Hα-helixtrans-63.5-46176.2-174.2-176.7171.8-1680110.9A268 E269 I274 Q275 E276A268-K272 PolarHBondContact O-N 3.21Å; A268-K272 VanDerWaalsContact O-N 3.1Å; E269-K272 WeakPolarHBondContact O-CB 3.26Å; E269-K272 PolarHBondContact O-N 2.74Å; K272-I274 VanDerWaalsContact C-N 3.28Å; K272-I274 PolarHBondContact O-N 3.29Å; K272-Q275 PolarHBondContact O-N 3.48Å; K272-Q275 VanDerWaalsContact O-N 3.16Å; K272-E276 WeakPolarHBondContact CE-OE1 3.38Å; K272-E276 IonicContact NZ-OE1 3.93Å; K272-E276 WeakPolarHBondContact O-CG 3.33Å; K272-E276 PolarHBondContact O-N 2.79Å
273E92.3Very high88.6Confident108 Ų108108.8 Ų108.851%0.50551%0.506SS..Hα-helixtrans-62.2-34.9177-68.3-179.5-178.800113E269 E270 R277E269-E273 PolarHBondContact O-N 3.23Å; E270-E273 PolarHBondContact O-N 2.85Å; E273-R277 WeakPolarHBondContact O-CB 3.24Å; E273-R277 WeakPolarHBondContact O-CG 3.25Å; E273-R277 PolarHBondContact O-N 3.39Å; E273-R277 PolarHBondContact O-NE 2.9Å; E273-R277 IonicContact OE2-NH2 2.68Å
274I92.6Very high87.3Confident69 Ų69112.8 Ų112.835%0.35452%0.518SS..Hα-helixtrans-66.8-43.6175.5-69.1167000110E270 M271 K272 R277 Q278E270-I274 VanDerWaalsContact O-CG1 3.29Å; E270-I274 WeakPolarHBondContact O-CG1 3.32Å; E270-I274 PolarHBondContact O-N 3.08Å; E270-I274 VanDerWaalsContact O-N 3.15Å; M271-I274 PolarHBondContact O-N 2.82Å; M271-I274 HydrophobicContact SD-CD1 4.48Å; K272-I274 VanDerWaalsContact C-N 3.28Å; K272-I274 PolarHBondContact O-N 3.29Å; I274-R277 PolarHBondContact O-N 2.89Å; I274-Q278 WeakPolarHBondContact O-CB 2.96Å; I274-Q278 VanDerWaalsContact O-CG 3.29Å; I274-Q278 WeakPolarHBondContact O-CG 3.31Å; I274-Q278 PolarHBondContact O-N 3.12Å
275Q88.5Confident86Confident133 Ų133115.2 Ų115.262%0.62152%0.523SS*.Hα-helixtrans-64.6-41.8177.6-73.7179.8-2.800112.2M271 K272 Q278 R279M271-Q275 WeakPolarHBondContact O-CG 3.47Å; M271-Q275 PolarHBondContact O-N 3.5Å; K272-Q275 PolarHBondContact O-N 3.48Å; K272-Q275 VanDerWaalsContact O-N 3.16Å; Q275-Q278 PolarHBondContact O-N 3.23Å; Q275-R279 WeakPolarHBondContact O-CB 3.45Å; Q275-R279 PolarHBondContact O-N 2.97Å
276E89.8Confident84.3Confident71 Ų71118.9 Ų118.933%0.33253%0.527SS..Hα-helixtrans-63.5-48.5176.8-71.3176.9165.900110.9K272 Q278 R279 D280K272-E276 WeakPolarHBondContact CE-OE1 3.38Å; K272-E276 IonicContact NZ-OE1 3.93Å; K272-E276 WeakPolarHBondContact O-CG 3.33Å; K272-E276 PolarHBondContact O-N 2.79Å; E276-Q278 VanDerWaalsContact C-N 3.27Å; E276-Q278 PolarHBondContact O-N 3.05Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 2.89Å; E276-R279 VanDerWaalsContact O-N 3.08Å; E276-D280 VanDerWaalsContact O-CG 3.23Å; E276-D280 PolarHBondContact O-N 3.18Å
277R87.9Confident82.6Confident140 Ų140120.4 Ų120.453%0.52854%0.539SS..Hα-helixtrans-59.9-35174.6-78.2-177.9-80.8175.5-14.2113.4E273 I274 K281E273-R277 WeakPolarHBondContact O-CB 3.24Å; E273-R277 WeakPolarHBondContact O-CG 3.25Å; E273-R277 PolarHBondContact O-N 3.39Å; E273-R277 PolarHBondContact O-NE 2.9Å; E273-R277 IonicContact OE2-NH2 2.68Å; I274-R277 PolarHBondContact O-N 2.89Å; R277-K281 WeakPolarHBondContact O-CB 3.26Å; R277-K281 WeakPolarHBondContact O-CD 3.37Å; R277-K281 WeakPolarHBondContact O-CG 3.24Å; R277-K281 PolarHBondContact O-N 2.88Å
278Q83.4Confident80.8Confident125 Ų125121.3 Ų121.358%0.58455%0.548SS*.Hα-helixtrans-70-38.6175.4-77.6178.8-4.700112I274 Q275 E276 M282I274-Q278 WeakPolarHBondContact O-CB 2.96Å; I274-Q278 VanDerWaalsContact O-CG 3.29Å; I274-Q278 WeakPolarHBondContact O-CG 3.31Å; I274-Q278 PolarHBondContact O-N 3.12Å; Q275-Q278 PolarHBondContact O-N 3.23Å; E276-Q278 VanDerWaalsContact C-N 3.27Å; E276-Q278 PolarHBondContact O-N 3.05Å; Q278-M282 PolarHBondContact O-N 3.44Å
279R83.3Confident79.1Confident130 Ų130122.1 Ų122.149%0.49155%0.55SS.*Hα-helixtrans-67.1-46.1177-176.6-176.863-168-6.6111.3Q275 E276 K281 M282 Y283Q275-R279 WeakPolarHBondContact O-CB 3.45Å; Q275-R279 PolarHBondContact O-N 2.97Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 2.89Å; E276-R279 VanDerWaalsContact O-N 3.08Å; R279-K281 VanDerWaalsContact C-N 3.35Å; R279-K281 PolarHBondContact O-N 3.13Å; R279-M282 WeakPolarHBondContact O-CA 3.32Å; R279-M282 WeakPolarHBondContact O-CB 3.27Å; R279-M282 PolarHBondContact O-N 2.66Å; R279-Y283 HydrophobicContact CG-CD2 3.86Å; R279-Y283 HydrophobicContact CG-CE2 3.66Å; R279-Y283 VanDerWaalsContact O-CD2 3.29Å; R279-Y283 WeakPolarHBondContact O-CD2 3.37Å; R279-Y283 PolarHBondContact O-N 2.85Å
280D77.9Confident77.3Confident80 Ų80121.4 Ų121.443%0.42855%0.547SS..Hα-helixtrans-64.8-40.7-178.3-61.2-11.6000110.9E276 M282 Y283 E284E276-D280 VanDerWaalsContact O-CG 3.23Å; E276-D280 PolarHBondContact O-N 3.18Å; D280-M282 PolarHBondContact O-N 3.4Å; D280-Y283 PolarHBondContact O-N 3.16Å; D280-Y283 VanDerWaalsContact O-N 3.12Å; D280-E284 PolarHBondContact O-N 3.03Å
281K78.1Confident75.4Confident145 Ų145120.5 Ų120.563%0.6356%0.558SS**Hα-helixtrans-61.2-30.3170.9-74.7176.3-178.7-173.10113.9R277 R279 R285R277-K281 WeakPolarHBondContact O-CB 3.26Å; R277-K281 WeakPolarHBondContact O-CD 3.37Å; R277-K281 WeakPolarHBondContact O-CG 3.24Å; R277-K281 PolarHBondContact O-N 2.88Å; R279-K281 VanDerWaalsContact C-N 3.35Å; R279-K281 PolarHBondContact O-N 3.13Å; K281-R285 WeakPolarHBondContact O-CB 3.09Å; K281-R285 PolarHBondContact O-N 2.95Å
282M71.3Confident73.7Confident146 Ų146122 Ų12272%0.71957%0.568SS**Hα-helixtrans-75.4-34.4176.2-172.7179.7178.800111.3Q278 R279 D280 R286Q278-M282 PolarHBondContact O-N 3.44Å; R279-M282 WeakPolarHBondContact O-CA 3.32Å; R279-M282 WeakPolarHBondContact O-CB 3.27Å; R279-M282 PolarHBondContact O-N 2.66Å; D280-M282 PolarHBondContact O-N 3.4Å; M282-R286 PolarHBondContact O-N 3.43Å
283Y69.9Low71.9Confident141 Ų141123 Ų12355%0.55358%0.579SS**Hα-helixtrans-68.6-46.9172.8-83.9-76.6000111.9R279 D280 R285 R286 E287R279-Y283 HydrophobicContact CG-CD2 3.86Å; R279-Y283 HydrophobicContact CG-CE2 3.66Å; R279-Y283 VanDerWaalsContact O-CD2 3.29Å; R279-Y283 WeakPolarHBondContact O-CD2 3.37Å; R279-Y283 PolarHBondContact O-N 2.85Å; D280-Y283 PolarHBondContact O-N 3.16Å; D280-Y283 VanDerWaalsContact O-N 3.12Å; Y283-R285 VanDerWaalsContact C-N 3.35Å; Y283-R285 PolarHBondContact O-N 2.85Å; Y283-R286 WeakPolarHBondContact O-CB 3.33Å; Y283-R286 PolarHBondContact O-N 3.34Å; Y283-E287 PolarHBondContact O-N 2.92Å
284E69.1Low70.3Confident121 Ų121123.4 Ų123.457%0.56559%0.589SS**Hα-helixtrans-58.1-44.6177.3-74.2176.316800112D280 R286 E287 E288D280-E284 PolarHBondContact O-N 3.03Å; E284-R286 PolarHBondContact O-N 2.87Å; E284-E287 PolarHBondContact O-N 2.78Å; E284-E288 WeakPolarHBondContact O-CG 3.29Å; E284-E288 PolarHBondContact O-N 3.19Å
285R66.6Low68.6Low197 Ų197127.9 Ų127.974%0.74361%0.614SS**Hα-helixtrans-62.6-30.3176.3-178.8179.3-71.8-143.9-4.4113K281 Y283 S289K281-R285 WeakPolarHBondContact O-CB 3.09Å; K281-R285 PolarHBondContact O-N 2.95Å; Y283-R285 VanDerWaalsContact C-N 3.35Å; Y283-R285 PolarHBondContact O-N 2.85Å; R285-S289 PolarHBondContact O-N 3.31Å; R285-S289 PolarHBondContact O-OG 3.41Å
286R60.6Low67Low150 Ų150129.9 Ų129.957%0.56663%0.629SS**Hα-helixtrans-78.6-40.3179.8-175.3177.2175179.1-0.4111.4M282 Y283 E284 S289 E290M282-R286 PolarHBondContact O-N 3.43Å; Y283-R286 WeakPolarHBondContact O-CB 3.33Å; Y283-R286 PolarHBondContact O-N 3.34Å; E284-R286 PolarHBondContact O-N 2.87Å; R286-S289 WeakPolarHBondContact CA-OG 3.44Å; R286-S289 PolarHBondContact O-N 3.07Å; R286-S289 PolarHBondContact O-OG 3.46Å; R286-E290 IonicContact CZ-OE1 3.61Å; R286-E290 IonicContact NE-OE1 2.94Å; R286-E290 PolarHBondContact NE-OE1 3.28Å; R286-E290 IonicContact NH2-OE1 3.36Å; R286-E290 PolarHBondContact NH2-OE1 2.82Å; R286-E290 PolarHBondContact O-N 3.39Å
287E59.6Low64.9Low142 Ų142138 Ų13866%0.66467%0.674SS**Hα-helixtrans-65.8-38.3174-71.4-174.1167.300111.8Y283 E284 S289 E290 G291Y283-E287 PolarHBondContact O-N 2.92Å; E284-E287 PolarHBondContact O-N 2.78Å; E287-S289 VanDerWaalsContact C-N 3.3Å; E287-S289 PolarHBondContact O-N 3.29Å; E287-E290 PolarHBondContact O-N 2.98Å; E287-G291 PolarHBondContact O-N 3.12Å
288E58.8Low63.8Low148 Ų148137.9 Ų137.969%0.69268%0.682SS**Hα-helixtrans-63.2-32.9172.4-76.2179.216600112.7E284E284-E288 WeakPolarHBondContact O-CG 3.29Å; E284-E288 PolarHBondContact O-N 3.19Å
289S58.6Low62.7Low70 Ų70138.6 Ų138.649%0.4969%0.687SS.*Hα-helixtrans-81-26.2177.9640000114.7R285 R286 E287R285-S289 PolarHBondContact O-N 3.31Å; R285-S289 PolarHBondContact O-OG 3.41Å; R286-S289 WeakPolarHBondContact CA-OG 3.44Å; R286-S289 PolarHBondContact O-N 3.07Å; R286-S289 PolarHBondContact O-OG 3.46Å; E287-S289 VanDerWaalsContact C-N 3.3Å; E287-S289 PolarHBondContact O-N 3.29Å
290E55.6Low61.6Low114 Ų114139.1 Ų139.153%0.53370%0.698SS.*Hα-helixtrans-85.6-12178.2-71.9176.2-173.600111.9R286 E287R286-E290 IonicContact CZ-OE1 3.61Å; R286-E290 IonicContact NE-OE1 2.94Å; R286-E290 PolarHBondContact NE-OE1 3.28Å; R286-E290 IonicContact NH2-OE1 3.36Å; R286-E290 PolarHBondContact NH2-OE1 2.82Å; R286-E290 PolarHBondContact O-N 3.39Å; E287-E290 PolarHBondContact O-N 2.98Å
291G54.8Low60.6Low57 Ų57142.5 Ų142.559%0.58871%0.714SS**SBendtrans-89.7-12.3177.800000116.2E287E287-G291 PolarHBondContact O-N 3.12Å
292D56.5Low59.6Low149 Ų149142.4 Ų142.480%0.79772%0.719SS**SBendtrans-94.5-6.2-178.2-102.4-3.2000113.6
293D55.5Low58.8Low147 Ų147142.1 Ų142.179%0.78672%0.719SS**SBendtrans-97.113.9-176.8-81.3-32.7000114.1
294V57.1Low58Low117 Ų117142.2 Ų142.271%0.70973%0.731SS**SBendtrans-126.561.7-179.6-1640000110.7
295D56.8Low57.1Low163 Ų163143.8 Ų143.887%0.87274%0.743SS**  trans-171.376.4157.9-90.9-29.3000109.5
296D55Low56.3Low174 Ų174139.4 Ų139.493%0.9374%0.743SS**  trans-156.688.3154.4-126.5-6.2000109
297D47.2Very low55.9Low242 Ų242138.5 Ų138.5100%1.29476%0.759SS**  trans-137.70165.9-1396.1000108.8

Retrieved 297 of 297 residues in 155.6 ms (Link to these results)