X5J594_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J594, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 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
1P57.3Low81.7Confident155 Ų15581.6 Ų81.6100%1.00649%0.487SS*.  01180-15.431.2000110S105P1-S105 CarbonylContact C-O 3.54Å; P1-S105 WeakPolarHBondContact CA-O 2.86Å
2G74.1Confident82.9Confident31 Ų3175.9 Ų75.932%0.3245%0.452SS..EExtended strand (participates in β ladder)trans-94.3133.9175.700000110.7S105 V106 T107G2-S105 PolarHBondContact N-O 2.81Å; G2-V106 WeakPolarHBondContact O-CA 3.42Å; G2-T107 PolarHBondContact O-N 3.47Å
3L75.3Confident84Confident140 Ų14075.6 Ų75.673%0.73345%0.451SS*.EExtended strand (participates in β ladder)trans-102.9124.3169.2-175.269.2000108T107L3-T107 HydrophobicContact CD1-CG2 4.49Å
4A76.5Confident84.9Confident11 Ų1170.9 Ų70.99%0.09142%0.424CS..EExtended strand (participates in β ladder)trans-123.2145.3176.400000110.2V77 T107 V108A4-V77 HydrophobicContact CB-CG2 4.27Å; A4-T107 PolarHBondContact N-O 2.69Å; A4-V108 HydrophobicContact CB-CG2 4.33Å; A4-V108 WeakPolarHBondContact O-CA 3.17Å
5K79.2Confident85.6Confident140 Ų14070.9 Ų70.961%0.60943%0.428SS*.  trans-86.1152.9170.5-64.9-176.7177.5-175.90109.8Q8 V77K5-Q8 HydrophobicContact CB-CG 4.13Å; K5-Q8 WeakPolarHBondContact O-CB 3.39Å; K5-Q8 WeakPolarHBondContact O-CG 3.38Å; K5-Q8 PolarHBondContact O-N 3.43Å; K5-V77 WeakPolarHBondContact O-CG2 3.44Å
6P81.4Confident86.1Confident53 Ų5367.4 Ų67.434%0.34441%0.408SS..THydrogen-bonded Turntrans-53.4151.1173.3-26.134.4000112.5Q8 V77 V108 S109P6-Q8 PolarHBondContact O-N 3.07Å; P6-Q8 VanDerWaalsContact O-N 3.11Å; P6-V77 CarbonylContact C-O 3.49Å; P6-V77 WeakPolarHBondContact CA-O 3.36Å; P6-V108 HydrophobicContact CG-CG1 4.28Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
7S83.6Confident86.4Confident101 Ų10169.9 Ų69.971%0.70642%0.423SS*.THydrogen-bonded Turntrans66.22.3-179.4-51.50000115.5V77S7-V77 PolarHBondContact N-O 3.21Å
8Q89.7Confident86.6Confident95 Ų9570.5 Ų70.544%0.44445%0.446SS..PPolyproline II helixtrans-79.6164.9171-65-171.6-42.100111.5K5 P6 S76 V77K5-Q8 HydrophobicContact CB-CG 4.13Å; K5-Q8 WeakPolarHBondContact O-CB 3.39Å; K5-Q8 WeakPolarHBondContact O-CG 3.38Å; K5-Q8 PolarHBondContact O-N 3.43Å; P6-Q8 PolarHBondContact O-N 3.07Å; P6-Q8 VanDerWaalsContact O-N 3.11Å; Q8-S76 PolarHBondContact O-N 3.37Å; Q8-V77 WeakPolarHBondContact O-CG2 2.99Å; Q8-V77 PolarHBondContact O-N 2.86Å; Q8-V77 VanDerWaalsContact O-N 3.07Å
9T93Very high86.7Confident73 Ų7373.3 Ų73.345%0.44845%0.448SS..PPolyproline II helixtrans-94.3123168.5-66.50000109.3Q73 L74 N75T9-Q73 HydrophobicContact CG2-CG 3.34Å; T9-L74 WeakPolarHBondContact CA-O 3.42Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.25Å; T9-N75 PolarHBondContact OG1-OD1 2.9Å
10L93.5Very high86.9Confident21 Ų2171.9 Ų71.911%0.1144%0.441CS..EExtended strand (participates in β ladder)trans-86.3131.1169173.665.8000109L12 Q73 L74 V77 Y85 V106L10-L12 HydrophobicContact CD1-CD2 3.91Å; L10-L12 HydrophobicContact CD1-CG 4.24Å; L10-L12 HydrophobicContact CD2-CD1 4.21Å; L10-L12 HydrophobicContact CD2-CG 4.22Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L10-L12 HydrophobicContact CG-CG 4.06Å; L10-Q73 CarbonylContact O-C 3.44Å; L10-Q73 WeakPolarHBondContact O-CA 3.43Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 3.39Å; L10-L74 PolarHBondContact O-N 2.87Å; L10-V77 HydrophobicContact CB-CG1 3.78Å; L10-Y85 HydrophobicContact CD2-CE2 4.2Å; L10-V106 HydrophobicContact CD1-CG1 4.16Å; L10-V106 HydrophobicContact CD1-CG2 4.08Å; L10-V106 HydrophobicContact CD2-CB 4.4Å; L10-V106 HydrophobicContact CD2-CG1 4.04Å; L10-V106 HydrophobicContact CD2-CG2 4.08Å
11S95.1Very high87.2Confident78 Ų7868.5 Ų68.555%0.54542%0.42SS..EExtended strand (participates in β ladder)trans-121123.3171.6-172.90000109.3L72S11-L72 CarbonylContact C-O 3.58Å; S11-L72 WeakPolarHBondContact CA-O 3.04Å
12L96.6Very high88.9Confident13 Ų1364.1 Ų64.17%0.06839%0.391CS..EExtended strand (participates in β ladder)trans-116.7141.4178.1-62.6179.3000110L10 W28 Y71 L72 Y85 T104 V106L10-L12 HydrophobicContact CD1-CD2 3.91Å; L10-L12 HydrophobicContact CD1-CG 4.24Å; L10-L12 HydrophobicContact CD2-CD1 4.21Å; L10-L12 HydrophobicContact CD2-CG 4.22Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L10-L12 HydrophobicContact CG-CG 4.06Å; L12-W28 HydrophobicContact CB-CH2 3.67Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.04Å; L12-W28 HydrophobicContact CD1-CZ3 4.07Å; L12-Y71 CarbonylContact O-C 3.55Å; L12-Y71 WeakPolarHBondContact O-CA 3.4Å; L12-L72 HydrophobicContact CB-CB 4.39Å; L12-L72 HydrophobicContact CD1-CD2 4.31Å; L12-L72 PolarHBondContact N-O 2.84Å; L12-L72 PolarHBondContact O-N 3.19Å; L12-Y85 HydrophobicContact CD1-CD1 3.68Å; L12-Y85 HydrophobicContact CD1-CD2 4.02Å; L12-Y85 HydrophobicContact CD1-CG 3.4Å; L12-T104 HydrophobicContact CD2-CG2 4.06Å; L12-V106 HydrophobicContact CD2-CG2 4.22Å
13T96.9Very high89.6Confident72 Ų7266.1 Ų66.144%0.44240%0.4SS..EExtended strand (participates in β ladder)trans-116.4132.7177.8-57.20000109.4Q69 Y71T13-Q69 HydrophobicContact CG2-CB 4.41Å; T13-Q69 HydrophobicContact CG2-CG 4.21Å; T13-Y71 HydrophobicContact CG2-CD1 3.81Å; T13-Y71 HydrophobicContact CG2-CE1 3.47Å; T13-Y71 VanDerWaalsContact CG2-CE1 3.47Å; T13-Y71 VanDerWaalsContact OG1-CD1 3.32Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.27Å; T13-Y71 WeakPolarHBondContact OG1-CE1 3.48Å
14C96.1Very high90.3Very high10 Ų1060.4 Ų60.47%0.06837%0.37CS..EExtended strand (participates in β ladder)trans-111.8121164.6-1750000109W28 Q69 Y70 C87C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-Q69 WeakPolarHBondContact O-CA 3.12Å; C14-Y70 HydrophobicContact CB-CD1 3.89Å; C14-Y70 HydrophobicContact CB-CD2 4.44Å; C14-Y70 HydrophobicContact CB-CE1 3.49Å; C14-Y70 VanDerWaalsContact CB-CE1 3.49Å; C14-Y70 HydrophobicContact CB-CE2 4.09Å; C14-Y70 HydrophobicContact CB-CG 4.37Å; C14-Y70 PolarHBondContact N-O 2.78Å; C14-Y70 PolarHBondContact O-N 3.16Å; C14-Y70 WeakPolarHBondContact SG-CE1 3.45Å; C14-Y70 VanDerWaalsContact SG-CZ 3.58Å; C14-C87 HydrophobicContact CB-CB 3.36Å; C14-C87 WeakPolarHBondContact CB-SG 3.37Å; C14-C87 WeakPolarHBondContact SG-CB 3.25Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.2Å
15S95.9Very high91.1Very high70 Ų7063.5 Ų63.549%0.4938%0.38SS..EExtended strand (participates in β ladder)trans-99.6121.6174.7-57.60000109.1Q69S15-Q69 PolarHBondContact OG-NE2 3.06Å
16V93.8Very high91.8Very high16 Ų1657 Ų5710%0.09735%0.351CS..  trans-93.2134.4-179.4-1790000109.1Y19 I21 W26 N68 Y70V16-Y19 WeakPolarHBondContact CG1-O 3.37Å; V16-I21 HydrophobicContact CB-CG2 3.85Å; V16-I21 HydrophobicContact CG2-CG2 3.54Å; V16-W26 HydrophobicContact CB-CH2 4.4Å; V16-W26 HydrophobicContact CB-CZ3 4.47Å; V16-W26 HydrophobicContact CG1-CH2 3.58Å; V16-W26 HydrophobicContact CG1-CZ2 4.35Å; V16-W26 HydrophobicContact CG1-CZ3 3.96Å; V16-W26 HydrophobicContact CG2-CE3 3.95Å; V16-W26 HydrophobicContact CG2-CH2 3.96Å; V16-W26 HydrophobicContact CG2-CZ3 3.62Å; V16-N68 PolarHBondContact N-O 3.49Å; V16-N68 PolarHBondContact O-ND2 2.84Å; V16-Y70 HydrophobicContact CG2-CD1 4.15Å; V16-Y70 HydrophobicContact CG2-CE1 3.82Å
17T91.6Very high92.5Very high110 Ų11054.7 Ų54.768%0.67534%0.336SS*.  trans-124.8143.217653.70000108.7Y19T17-Y19 PolarHBondContact O-N 3.36Å
18G88.7Confident93.2Very high80 Ų8050.1 Ų50.183%0.82530%0.304SS*.SBendtrans76.5-8.5-178.800000116.2
19Y88.3Confident93.5Very high124 Ų12446 Ų4649%0.48628%0.284SS..SBendtrans-139.5156.9177.5-70.8-81.6000111.2V16 T17 N68V16-Y19 WeakPolarHBondContact CG1-O 3.37Å; T17-Y19 PolarHBondContact O-N 3.36Å; Y19-N68 PolarHBondContact O-ND2 3.15Å
20S91.7Very high93.7Very high45 Ų4543 Ų4332%0.31527%0.265SS..  trans-93.4134.1173.5-177.30000111.4T22 S23 W26 N68S20-T22 PolarHBondContact O-N 3.39Å; S20-T22 PolarHBondContact OG-N 3.07Å; S20-T22 PolarHBondContact OG-OG1 3.31Å; S20-S23 PolarHBondContact O-N 2.96Å; S20-W26 WeakPolarHBondContact O-CZ2 3.43Å; S20-N68 WeakPolarHBondContact CA-OD1 3.46Å
21I93.2Very high93.8Very high0 Ų045 Ų450%027%0.273CS..THydrogen-bonded Turntrans-66.1-8.4173.166.3170.2000114V16 W26 R63 T65 N68 Q69 Y70V16-I21 HydrophobicContact CB-CG2 3.85Å; V16-I21 HydrophobicContact CG2-CG2 3.54Å; I21-W26 HydrophobicContact CB-CZ2 4.47Å; I21-W26 HydrophobicContact CG2-CD2 4.34Å; I21-W26 HydrophobicContact CG2-CZ2 4.27Å; I21-W26 PolarHBondContact O-NE1 2.88Å; I21-R63 HydrophobicContact CD1-CB 3.97Å; I21-T65 HydrophobicContact CD1-CG2 4.19Å; I21-T65 HydrophobicContact CG1-CG2 4.32Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.43Å; I21-N68 PolarHBondContact N-OD1 2.84Å; I21-Q69 WeakPolarHBondContact CD1-O 3.44Å; I21-Y70 HydrophobicContact CG2-CD1 4.29Å
22T93.1Very high93.9Very high64 Ų6443.1 Ų43.139%0.39326%0.255SS..THydrogen-bonded Turntrans-95.616.1176.867.40000113.2S20 Y45 T65S20-T22 PolarHBondContact O-N 3.39Å; S20-T22 PolarHBondContact OG-N 3.07Å; S20-T22 PolarHBondContact OG-OG1 3.31Å; T22-Y45 VanDerWaalsContact C-CB 3.47Å; T22-Y45 WeakPolarHBondContact O-CB 3.4Å; T22-T65 HydrophobicContact CG2-CG2 3.47Å; T22-T65 VanDerWaalsContact CG2-CG2 3.47Å
23S88.9Confident93.7Very high73 Ų7347.5 Ų47.551%0.5128%0.284SS..SBendtrans-110.1-28-179.8-61.70000113.8S20S20-S23 PolarHBondContact O-N 2.96Å
24D89.9Confident93.5Very high20 Ų2047.6 Ų47.611%0.10730%0.299CS..SBendtrans-138.5-171.7-167.6-73.5-53.2000113.1W26 S44 Y45 R89D24-W26 HydrophobicContact CB-CZ2 4.3Å; D24-W26 PolarHBondContact O-NE1 2.86Å; D24-S44 CarbonylContact O-C 3.58Å; D24-Y45 PolarHBondContact O-N 3.48Å; D24-R89 HydrophobicContact CB-CG 3.94Å; D24-R89 WeakPolarHBondContact OD2-CD 3.43Å; D24-R89 IonicContact OD2-CZ 2.69Å; D24-R89 IonicContact OD2-NH1 3.08Å; D24-R89 PolarHBondContact OD2-NH1 2.9Å
25Y92.6Very high93.2Very high75 Ų7552.7 Ų52.729%0.29433%0.326SS..EExtended strand (participates in β ladder)trans-96.5133.7170.4-61.8-99.3000110.5N27 Y42 Y90Y25-N27 PolarHBondContact O-ND2 3.13Å; Y25-Y42 AromaticContact CD1-CD2 3.82Å; Y25-Y42 HydrophobicContact CD1-CD2 3.82Å; Y25-Y42 AromaticContact CD1-CE2 3.75Å; Y25-Y42 HydrophobicContact CD1-CE2 3.75Å; Y25-Y42 HydrophobicContact CD1-CG 4.34Å; Y25-Y42 HydrophobicContact CE1-CE2 4.03Å; Y25-Y90 HydrophobicContact CD2-CD1 4.02Å; Y25-Y90 HydrophobicContact CG-CD1 4.3Å; Y25-Y90 PolarHBondContact N-O 3.34Å; Y25-Y90 PolarHBondContact O-N 3.43Å
26W94.8Very high93.1Very high4 Ų456 Ų562%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-116.9118.7-175.8-59.393.5000110.2V16 S20 I21 D24 Y42 I43 Y70 R89V16-W26 HydrophobicContact CB-CH2 4.4Å; V16-W26 HydrophobicContact CB-CZ3 4.47Å; V16-W26 HydrophobicContact CG1-CH2 3.58Å; V16-W26 HydrophobicContact CG1-CZ2 4.35Å; V16-W26 HydrophobicContact CG1-CZ3 3.96Å; V16-W26 HydrophobicContact CG2-CE3 3.95Å; V16-W26 HydrophobicContact CG2-CH2 3.96Å; V16-W26 HydrophobicContact CG2-CZ3 3.62Å; S20-W26 WeakPolarHBondContact O-CZ2 3.43Å; I21-W26 HydrophobicContact CB-CZ2 4.47Å; I21-W26 HydrophobicContact CG2-CD2 4.34Å; I21-W26 HydrophobicContact CG2-CZ2 4.27Å; I21-W26 PolarHBondContact O-NE1 2.88Å; D24-W26 HydrophobicContact CB-CZ2 4.3Å; D24-W26 PolarHBondContact O-NE1 2.86Å; W26-Y42 CarbonylContact O-C 3.51Å; W26-Y42 WeakPolarHBondContact O-CA 3.34Å; W26-Y42 WeakPolarHBondContact O-CB 3.38Å; W26-I43 HydrophobicContact CB-CG2 4.11Å; W26-I43 PolarHBondContact N-O 3.38Å; W26-I43 PolarHBondContact O-N 2.82Å; W26-Y70 HydrophobicContact CB-CD1 4.11Å; W26-Y70 HydrophobicContact CB-CD2 4.01Å; W26-Y70 HydrophobicContact CB-CE1 3.87Å; W26-Y70 HydrophobicContact CB-CE2 3.78Å; W26-Y70 HydrophobicContact CB-CG 4.14Å; W26-Y70 HydrophobicContact CD2-CD1 4.5Å; W26-Y70 HydrophobicContact CD2-CE1 4.05Å; W26-Y70 AromaticContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CG-CD1 4.31Å; W26-Y70 HydrophobicContact CG-CE1 4.13Å; W26-R89 HydrophobicContact CE3-CB 4.14Å; W26-R89 HydrophobicContact CE3-CG 4.34Å; W26-R89 HydrophobicContact CH2-CB 4.21Å; W26-R89 HydrophobicContact CH2-CG 3.92Å; W26-R89 HydrophobicContact CZ2-CG 4.34Å; W26-R89 HydrophobicContact CZ3-CB 3.72Å; W26-R89 HydrophobicContact CZ3-CG 3.91Å
27N95.9Very high93.2Very high5 Ų559.9 Ų59.93%0.02735%0.351CS..EExtended strand (participates in β ladder)trans-110151.3-164.8-57.7-93.7000110.4Y25 I29 Y39 G41 Y42 Y70 C87 A88 Y90 M97Y25-N27 PolarHBondContact O-ND2 3.13Å; N27-I29 HydrophobicContact CB-CD1 4.45Å; N27-Y39 HydrophobicContact CB-CE2 4.13Å; N27-Y39 PolarHBondContact OD1-OH 2.98Å; N27-G41 WeakPolarHBondContact CA-O 3.35Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.35Å; N27-Y70 PolarHBondContact O-OH 2.92Å; N27-C87 WeakPolarHBondContact O-CA 3.46Å; N27-A88 HydrophobicContact CB-CB 4.4Å; N27-A88 WeakPolarHBondContact CB-O 3.39Å; N27-A88 PolarHBondContact N-O 2.81Å; N27-A88 PolarHBondContact ND2-O 2.84Å; N27-A88 PolarHBondContact O-N 2.87Å; N27-Y90 WeakPolarHBondContact ND2-CB 3.48Å; N27-Y90 PolarHBondContact ND2-N 2.94Å; N27-M97 HydrophobicContact CB-CE 4.08Å
28W97.1Very high93.4Very high5 Ų556.6 Ų56.62%0.01933%0.328CS..EExtended strand (participates in β ladder)trans-117.8128.9167.8-76.8102.2000110.2L12 C14 M40 G41 Y70 L72 Y86 C87L12-W28 HydrophobicContact CB-CH2 3.67Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.04Å; L12-W28 HydrophobicContact CD1-CZ3 4.07Å; C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-M40 HydrophobicContact CB-CB 4.12Å; W28-M40 WeakPolarHBondContact O-CB 3.38Å; W28-M40 PolarHBondContact O-N 2.87Å; W28-G41 PolarHBondContact N-O 3.47Å; W28-Y70 AromaticContact CD1-CE2 3.89Å; W28-Y70 HydrophobicContact CD2-CE2 4.39Å; W28-Y70 AromaticContact CE2-CD2 3.9Å; W28-Y70 AromaticContact CE2-CE2 3.68Å; W28-Y70 HydrophobicContact CZ2-CD2 4.21Å; W28-Y70 HydrophobicContact CZ2-CE2 4.1Å; W28-Y70 AromaticContact NE1-CD2 3.29Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.29Å; W28-Y70 AromaticContact NE1-CE2 3.34Å; W28-Y70 VanDerWaalsContact NE1-CE2 3.34Å; W28-L72 HydrophobicContact CB-CD2 4.26Å; W28-L72 HydrophobicContact CD2-CB 3.66Å; W28-L72 HydrophobicContact CD2-CD2 3.99Å; W28-L72 HydrophobicContact CD2-CG 4.38Å; W28-L72 VanDerWaalsContact CE2-CB 3.45Å; W28-L72 HydrophobicContact CE3-CB 4.23Å; W28-L72 HydrophobicContact CE3-CD2 4.05Å; W28-L72 HydrophobicContact CG-CB 3.92Å; W28-L72 HydrophobicContact CG-CD1 4.36Å; W28-L72 HydrophobicContact CG-CD2 4.1Å; W28-L72 HydrophobicContact CG-CG 4.37Å; W28-L72 HydrophobicContact CH2-CB 4.43Å; W28-L72 HydrophobicContact CZ2-CB 3.88Å; W28-Y86 WeakPolarHBondContact CA-O 3.38Å; W28-C87 HydrophobicContact CE3-CB 4.21Å; W28-C87 HydrophobicContact CH2-CB 4.05Å; W28-C87 HydrophobicContact CZ2-CB 4.35Å; W28-C87 HydrophobicContact CZ3-CB 3.98Å
29I96.8Very high93.8Very high7 Ų756.1 Ų56.14%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-134.6138.5-178.9-59.7143.2000106.9N27 L37 E38 Y39 Y86 A88 M97 W100N27-I29 HydrophobicContact CB-CD1 4.45Å; I29-L37 HydrophobicContact CG2-CB 4.44Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; I29-E38 WeakPolarHBondContact CA-O 3.47Å; I29-Y39 HydrophobicContact CG1-CD2 4.01Å; I29-Y86 PolarHBondContact N-O 3.07Å; I29-Y86 PolarHBondContact O-N 3.04Å; I29-A88 HydrophobicContact CD1-CB 3.8Å; I29-M97 HydrophobicContact CD1-CE 3.87Å; I29-M97 HydrophobicContact CD1-SD 3.56Å; I29-M97 VanDerWaalsContact CD1-SD 3.56Å; I29-W100 HydrophobicContact CB-CH2 4.21Å; I29-W100 HydrophobicContact CB-CZ3 4.12Å; I29-W100 HydrophobicContact CD1-CE3 4.49Å; I29-W100 HydrophobicContact CD1-CH2 3.37Å; I29-W100 HydrophobicContact CD1-CZ2 3.76Å; I29-W100 HydrophobicContact CD1-CZ3 3.77Å; I29-W100 HydrophobicContact CG1-CH2 4.26Å; I29-W100 HydrophobicContact CG2-CH2 3.95Å; I29-W100 HydrophobicContact CG2-CZ3 4.06Å
30R96.6Very high94.2Very high11 Ų1150.2 Ų50.24%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-116.7143.4172.665.5-177.9178.2171.17.3111.3F32 L37 E38 M40 D81 A83 T84 Y85R30-F32 HydrophobicContact CG-CE2 4.32Å; R30-F32 HydrophobicContact CG-CZ 4.16Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.34Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 3.68Å; R30-E38 PolarHBondContact N-O 2.9Å; R30-E38 IonicContact NE-OE2 3.63Å; R30-E38 PolarHBondContact NE-OE2 2.9Å; R30-E38 IonicContact NH2-OE2 2.7Å; R30-E38 PolarHBondContact NH2-OE2 2.69Å; R30-E38 PolarHBondContact O-N 3.13Å; R30-M40 HydrophobicContact CB-SD 4Å; R30-M40 HydrophobicContact CG-CG 4.17Å; R30-M40 HydrophobicContact CG-SD 3.97Å; R30-D81 IonicContact CZ-OD1 2.87Å; R30-D81 IonicContact NH1-OD1 3.47Å; R30-D81 PolarHBondContact NH1-OD1 3.11Å; R30-D81 IonicContact NH2-OD1 3.64Å; R30-A83 HydrophobicContact CB-CB 3.96Å; R30-A83 HydrophobicContact CG-CB 4.44Å; R30-T84 CarbonylContact C-O 3.47Å; R30-T84 WeakPolarHBondContact CA-O 3.31Å; R30-Y85 HydrophobicContact CB-CD1 3.83Å; R30-Y85 HydrophobicContact CB-CE1 3.88Å; R30-Y85 HydrophobicContact CB-CG 4.27Å; R30-Y85 HydrophobicContact CG-CE1 4.45Å; R30-Y85 PolarHBondContact NH1-OH 3.07Å
31K97.4Very high94.4Very high63 Ų6348.1 Ų48.127%0.27426%0.264SS..EExtended strand (participates in β ladder)trans-114.9116.8178.5-169.1-179.9174.7-172.70109.3N35 K36 L37 A83 T84 Y86K31-N35 WeakPolarHBondContact CE-OD1 3.3Å; K31-N35 PolarHBondContact NZ-OD1 3.37Å; K31-K36 WeakPolarHBondContact CA-O 3.4Å; K31-L37 HydrophobicContact CB-CD2 3.61Å; K31-L37 HydrophobicContact CD-CD2 4.14Å; K31-L37 HydrophobicContact CG-CD2 3.7Å; K31-A83 WeakPolarHBondContact O-CA 3.35Å; K31-A83 WeakPolarHBondContact O-CB 3.16Å; K31-T84 PolarHBondContact N-O 3.04Å; K31-T84 PolarHBondContact O-N 2.9Å; K31-Y86 HydrophobicContact CB-CD2 4.23Å; K31-Y86 HydrophobicContact CB-CE2 3.6Å; K31-Y86 HydrophobicContact CD-CE2 4.22Å
32F96.4Very high94.6Very high39 Ų3951.3 Ų51.317%0.17128%0.276CS..  trans-77.9160.3177.5-63-75.3000111.6R30 G34 N35 K36 E38 E80 A83R30-F32 HydrophobicContact CG-CE2 4.32Å; R30-F32 HydrophobicContact CG-CZ 4.16Å; F32-G34 PolarHBondContact O-N 3.34Å; F32-N35 PolarHBondContact O-N 2.72Å; F32-K36 HydrophobicContact CB-CB 4.47Å; F32-K36 HydrophobicContact CD2-CB 4.3Å; F32-K36 HydrophobicContact CD2-CD 4.41Å; F32-K36 HydrophobicContact CD2-CG 4.34Å; F32-K36 PolarHBondContact N-O 2.94Å; F32-E38 HydrophobicContact CE2-CB 3.77Å; F32-E38 HydrophobicContact CZ-CB 4.49Å; F32-E80 VanDerWaalsContact CE1-O 3.27Å; F32-E80 WeakPolarHBondContact CE1-O 3.45Å; F32-A83 HydrophobicContact CD1-CB 4.02Å; F32-A83 HydrophobicContact CE1-CB 4.24Å
33P91.9Very high94.7Very high105 Ų10548.6 Ų48.668%0.68226%0.259SS*.THydrogen-bonded Turntrans-48.1133.7159.3-24.134.5000110
34G92.7Very high95Very high74 Ų7445.2 Ų45.276%0.76324%0.236SC*.THydrogen-bonded Turntrans88.311.5-172.200000115.2F32 K36F32-G34 PolarHBondContact O-N 3.34Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 3.19Å
35N89.9Confident95.1Very high117 Ų11750 Ų5063%0.62625%0.253SS*.SBendtrans67.210.9171.5-58.9-58000116.7K31 F32 L37K31-N35 WeakPolarHBondContact CE-OD1 3.3Å; K31-N35 PolarHBondContact NZ-OD1 3.37Å; F32-N35 PolarHBondContact O-N 2.72Å; N35-L37 PolarHBondContact O-N 2.65Å
36K94.8Very high95.2Very high140 Ų14049.7 Ų49.761%0.60926%0.262SS*.  trans-68.4127.7171-176.6-178.2177.1-173.60110K31 F32 G34K31-K36 WeakPolarHBondContact CA-O 3.4Å; F32-K36 HydrophobicContact CB-CB 4.47Å; F32-K36 HydrophobicContact CD2-CB 4.3Å; F32-K36 HydrophobicContact CD2-CD 4.41Å; F32-K36 HydrophobicContact CD2-CG 4.34Å; F32-K36 PolarHBondContact N-O 2.94Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 3.19Å
37L94.9Very high95.2Very high96 Ų9650.9 Ų50.950%0.50328%0.276SS..EExtended strand (participates in β ladder)trans-96.9142.5173.3-67.5171.1000110.6I29 R30 K31 N35I29-L37 HydrophobicContact CG2-CB 4.44Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.34Å; K31-L37 HydrophobicContact CB-CD2 3.61Å; K31-L37 HydrophobicContact CD-CD2 4.14Å; K31-L37 HydrophobicContact CG-CD2 3.7Å; N35-L37 PolarHBondContact O-N 2.65Å
38E96.5Very high95.2Very high42 Ų4254 Ų5420%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-131.9123.9170-179.1176.3-12000109.9I29 R30 F32I29-E38 WeakPolarHBondContact CA-O 3.47Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 3.68Å; R30-E38 PolarHBondContact N-O 2.9Å; R30-E38 IonicContact NE-OE2 3.63Å; R30-E38 PolarHBondContact NE-OE2 2.9Å; R30-E38 IonicContact NH2-OE2 2.7Å; R30-E38 PolarHBondContact NH2-OE2 2.69Å; R30-E38 PolarHBondContact O-N 3.13Å; F32-E38 HydrophobicContact CE2-CB 3.77Å; F32-E38 HydrophobicContact CZ-CB 4.49Å
39Y95.7Very high95.1Very high70 Ų7056.5 Ų56.528%0.27531%0.314SS..EExtended strand (participates in β ladder)trans-75.6128.6173.7177.8-104.6000110N27 I29 G41 Y42 Y50 N52 M97N27-Y39 HydrophobicContact CB-CE2 4.13Å; N27-Y39 PolarHBondContact OD1-OH 2.98Å; I29-Y39 HydrophobicContact CG1-CD2 4.01Å; Y39-G41 WeakPolarHBondContact OH-CA 3.35Å; Y39-G41 PolarHBondContact OH-O 2.87Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.41Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.46Å; Y39-Y42 PolarHBondContact OH-N 2.7Å; Y39-Y50 AromaticContact CE1-CD1 3.89Å; Y39-Y50 HydrophobicContact CE1-CD1 3.89Å; Y39-Y50 AromaticContact CE1-CE1 3.87Å; Y39-Y50 HydrophobicContact CE1-CE1 3.87Å; Y39-N52 WeakPolarHBondContact O-CB 3.28Å; Y39-N52 PolarHBondContact O-ND2 2.68Å; Y39-M97 HydrophobicContact CD2-CE 4.32Å; Y39-M97 HydrophobicContact CE2-CE 4.17Å
40M97.1Very high95.1Very high0 Ų061.4 Ų61.40%033%0.333CS..EExtended strand (participates in β ladder)trans-99.3-40.1-175.9-55.6-174.771.300112.3W28 R30 N52 L55 I59 L72 Y85W28-M40 HydrophobicContact CB-CB 4.12Å; W28-M40 WeakPolarHBondContact O-CB 3.38Å; W28-M40 PolarHBondContact O-N 2.87Å; R30-M40 HydrophobicContact CB-SD 4Å; R30-M40 HydrophobicContact CG-CG 4.17Å; R30-M40 HydrophobicContact CG-SD 3.97Å; M40-N52 WeakPolarHBondContact O-CB 3.45Å; M40-N52 PolarHBondContact O-N 2.88Å; M40-L55 HydrophobicContact CB-CD1 4.13Å; M40-L55 HydrophobicContact CE-CD1 4.1Å; M40-L55 HydrophobicContact CG-CD1 3.96Å; M40-I59 HydrophobicContact CB-CD1 4.39Å; M40-I59 HydrophobicContact CE-CG2 3.96Å; M40-I59 WeakPolarHBondContact O-CD1 3.4Å; M40-L72 HydrophobicContact CE-CD1 4.32Å; M40-L72 HydrophobicContact CE-CD2 3.71Å; M40-L72 HydrophobicContact SD-CD2 3.71Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.9Å; M40-Y85 HydrophobicContact SD-CD1 3.74Å; M40-Y85 HydrophobicContact SD-CE1 3.69Å
41G96.6Very high95.2Very high0 Ų063.2 Ų63.20%034%0.34CS..EExtended strand (participates in β ladder)trans156.7179.1-176.600000112.9N27 W28 Y39 Y50N27-G41 WeakPolarHBondContact CA-O 3.35Å; W28-G41 PolarHBondContact N-O 3.47Å; Y39-G41 WeakPolarHBondContact OH-CA 3.35Å; Y39-G41 PolarHBondContact OH-O 2.87Å; G41-Y50 CarbonylContact C-O 3.53Å; G41-Y50 WeakPolarHBondContact CA-O 3.11Å
42Y96.4Very high95.1Very high67 Ų6761.6 Ų61.626%0.26333%0.334SS..EExtended strand (participates in β ladder)trans-136.1163.3175.671.1-115.8000112.3Y25 W26 N27 Y39 T49 Y50Y25-Y42 AromaticContact CD1-CD2 3.82Å; Y25-Y42 HydrophobicContact CD1-CD2 3.82Å; Y25-Y42 AromaticContact CD1-CE2 3.75Å; Y25-Y42 HydrophobicContact CD1-CE2 3.75Å; Y25-Y42 HydrophobicContact CD1-CG 4.34Å; Y25-Y42 HydrophobicContact CE1-CE2 4.03Å; W26-Y42 CarbonylContact O-C 3.51Å; W26-Y42 WeakPolarHBondContact O-CA 3.34Å; W26-Y42 WeakPolarHBondContact O-CB 3.38Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.35Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.41Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.46Å; Y39-Y42 PolarHBondContact OH-N 2.7Å; Y42-T49 VanDerWaalsContact O-CA 3.28Å; Y42-T49 WeakPolarHBondContact O-CA 3.36Å; Y42-Y50 HydrophobicContact CD1-CG 4.49Å; Y42-Y50 HydrophobicContact CE1-CD1 4.39Å; Y42-Y50 HydrophobicContact CE1-CG 4.01Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.43Å; Y42-Y50 PolarHBondContact N-O 2.76Å; Y42-Y50 PolarHBondContact O-N 3.43Å
43I96.9Very high95.1Very high7 Ų764.3 Ų64.34%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-122.2130.3158.4-170.2162.4000109.7W26 S48 T49 I61 R63 Y70W26-I43 HydrophobicContact CB-CG2 4.11Å; W26-I43 PolarHBondContact N-O 3.38Å; W26-I43 PolarHBondContact O-N 2.82Å; I43-S48 WeakPolarHBondContact CA-O 3.17Å; I43-T49 HydrophobicContact CB-CG2 4.17Å; I43-T49 HydrophobicContact CD1-CG2 4Å; I43-T49 HydrophobicContact CG1-CG2 3.95Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.72Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.8Å; I43-Y70 HydrophobicContact CG2-CD2 4.44Å
44S94.7Very high95.2Very high3 Ų363.8 Ų63.82%0.02136%0.355CS..  trans-81.8170-179.370.40000112.2D24 S46 G47 S48 R63D24-S44 CarbonylContact O-C 3.58Å; S44-S46 PolarHBondContact O-N 2.83Å; S44-S46 PolarHBondContact OG-N 2.9Å; S44-S46 PolarHBondContact OG-OG 3.29Å; S44-G47 WeakPolarHBondContact O-CA 3.15Å; S44-G47 PolarHBondContact O-N 3.11Å; S44-G47 PolarHBondContact OG-N 2.85Å; S44-S48 PolarHBondContact N-O 2.05Å; S44-S48 WeakPolarHBondContact OG-CB 3.26Å; S44-S48 PolarHBondContact OG-N 2.8Å; S44-S48 PolarHBondContact OG-O 2.64Å; S44-R63 PolarHBondContact O-NH1 3.11Å
45Y91.9Very high95.3Very high120 Ų12060.5 Ų60.547%0.47132%0.32SS..THydrogen-bonded Turntrans-56.7-25.4169.871.2-91.2000114.1T22 D24 R63T22-Y45 VanDerWaalsContact C-CB 3.47Å; T22-Y45 WeakPolarHBondContact O-CB 3.4Å; D24-Y45 PolarHBondContact O-N 3.48Å; Y45-R63 VanDerWaalsContact O-CZ 3.23Å; Y45-R63 PolarHBondContact O-NH1 3.34Å; Y45-R63 PolarHBondContact O-NH2 2.89Å
46S93.4Very high95.5Very high69 Ų6961.6 Ų61.648%0.48332%0.319SS..THydrogen-bonded Turntrans-86.7-9173.8600000113.3S44 S48 R63S44-S46 PolarHBondContact O-N 2.83Å; S44-S46 PolarHBondContact OG-N 2.9Å; S44-S46 PolarHBondContact OG-OG 3.29Å; S46-S48 PolarHBondContact OG-OG 3.02Å; S46-R63 PolarHBondContact O-NH2 3.4Å
47G94.9Very high95.5Very high29 Ų2960.3 Ų60.330%0.29933%0.328SS..  trans90.34.2-176.500000113.8S44S44-G47 WeakPolarHBondContact O-CA 3.15Å; S44-G47 PolarHBondContact O-N 3.11Å; S44-G47 PolarHBondContact OG-N 2.85Å
48S95.6Very high95.6Very high71 Ų7158.4 Ų58.450%0.49731%0.314SS..  trans-70132.9174.2-54.50000110.4I43 S44 S46I43-S48 WeakPolarHBondContact CA-O 3.17Å; S44-S48 PolarHBondContact N-O 2.05Å; S44-S48 WeakPolarHBondContact OG-CB 3.26Å; S44-S48 PolarHBondContact OG-N 2.8Å; S44-S48 PolarHBondContact OG-O 2.64Å; S46-S48 PolarHBondContact OG-OG 3.02Å
49T97.1Very high95.6Very high57 Ų5757 Ų5735%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-108.1141.9-178.155.50000112.1Y42 I43 Y51Y42-T49 VanDerWaalsContact O-CA 3.28Å; Y42-T49 WeakPolarHBondContact O-CA 3.36Å; I43-T49 HydrophobicContact CB-CG2 4.17Å; I43-T49 HydrophobicContact CD1-CG2 4Å; I43-T49 HydrophobicContact CG1-CG2 3.95Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.47Å; T49-Y51 PolarHBondContact OG1-OH 3.1Å
50Y96.4Very high95.7Very high109 Ų10955.3 Ų55.343%0.42731%0.306SS..EExtended strand (participates in β ladder)trans-119.3141.2164175.7-89000109.4Y39 G41 Y42Y39-Y50 AromaticContact CE1-CD1 3.89Å; Y39-Y50 HydrophobicContact CE1-CD1 3.89Å; Y39-Y50 AromaticContact CE1-CE1 3.87Å; Y39-Y50 HydrophobicContact CE1-CE1 3.87Å; G41-Y50 CarbonylContact C-O 3.53Å; G41-Y50 WeakPolarHBondContact CA-O 3.11Å; Y42-Y50 HydrophobicContact CD1-CG 4.49Å; Y42-Y50 HydrophobicContact CE1-CD1 4.39Å; Y42-Y50 HydrophobicContact CE1-CG 4.01Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.43Å; Y42-Y50 PolarHBondContact N-O 2.76Å; Y42-Y50 PolarHBondContact O-N 3.43Å
51Y97.1Very high95.7Very high50 Ų5055.5 Ų55.520%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-124.1140.4179.6-56.9-67000109.8T49 K56 I59 I61T49-Y51 WeakPolarHBondContact OG1-CE2 3.47Å; T49-Y51 PolarHBondContact OG1-OH 3.1Å; Y51-K56 HydrophobicContact CD2-CG 4.21Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; Y51-I59 HydrophobicContact CD1-CD1 3.57Å; Y51-I59 HydrophobicContact CD1-CG1 3.57Å; Y51-I59 HydrophobicContact CE1-CD1 4.46Å; Y51-I59 HydrophobicContact CE1-CG1 4.18Å; Y51-I59 HydrophobicContact CG-CD1 4.28Å; Y51-I59 HydrophobicContact CG-CG1 4.27Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CD1-CG1 4.44Å; Y51-I61 HydrophobicContact CE1-CB 4.14Å; Y51-I61 HydrophobicContact CE1-CD1 4.05Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å
52N96.3Very high95.7Very high29 Ų2958.8 Ų58.816%0.15533%0.327CS..  trans-58125.8165.9-179.1-29.6000108.9Y39 M40 S54 L55 K56Y39-N52 WeakPolarHBondContact O-CB 3.28Å; Y39-N52 PolarHBondContact O-ND2 2.68Å; M40-N52 WeakPolarHBondContact O-CB 3.45Å; M40-N52 PolarHBondContact O-N 2.88Å; N52-S54 PolarHBondContact O-N 3.19Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.76Å; N52-L55 HydrophobicContact CB-CB 4.45Å; N52-L55 HydrophobicContact CB-CD1 4.38Å; N52-L55 PolarHBondContact O-N 3.31Å; N52-K56 PolarHBondContact O-N 3.3Å
53P96.2Very high95.8Very high96 Ų9658.9 Ų58.962%0.62333%0.327SS*.THydrogen-bonded Turntrans-50.7-37.5-178.4-29.635.8000114.2L55P53-L55 PolarHBondContact O-N 2.94Å
54S93.9Very high95.7Very high94 Ų9460.5 Ų60.566%0.65734%0.335SS*.THydrogen-bonded Turntrans-68.3-19.9179.7-58.30000113.7N52N52-S54 PolarHBondContact O-N 3.19Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.76Å
55L95.1Very high95.8Very high5 Ų564 Ų643%0.02636%0.357CS..THydrogen-bonded Turntrans-113.5-11.7-176.4-63.2174.6000113.1M40 N52 P53 S57 R58 I59M40-L55 HydrophobicContact CB-CD1 4.13Å; M40-L55 HydrophobicContact CE-CD1 4.1Å; M40-L55 HydrophobicContact CG-CD1 3.96Å; N52-L55 HydrophobicContact CB-CB 4.45Å; N52-L55 HydrophobicContact CB-CD1 4.38Å; N52-L55 PolarHBondContact O-N 3.31Å; P53-L55 PolarHBondContact O-N 2.94Å; L55-S57 PolarHBondContact O-N 2.95Å; L55-R58 PolarHBondContact O-N 3.39Å; L55-I59 HydrophobicContact CB-CD1 3.85Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 4.03Å; L55-I59 WeakPolarHBondContact O-CG1 3.41Å; L55-I59 PolarHBondContact O-N 3.07Å
56K93.9Very high96Very high139 Ų13963.1 Ų63.160%0.60437%0.368SS*.THydrogen-bonded Turntrans-52.8-31.2-169.7-173177.3-177.3-176.20114.7Y51 N52 R58Y51-K56 HydrophobicContact CD2-CG 4.21Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; N52-K56 PolarHBondContact O-N 3.3Å; K56-R58 VanDerWaalsContact C-N 3.35Å
57S95.6Very high96.1Very high114 Ų11465.9 Ų65.980%0.79737%0.372SS*.THydrogen-bonded Turntrans-78.7-17.3178.457.90000114L55L55-S57 PolarHBondContact O-N 2.95Å
58R95.8Very high96.2Very high56 Ų5666.1 Ų66.121%0.21137%0.366CS..THydrogen-bonded Turntrans-111.5-23.2-173.7-56.2-162.6-61.6136.5-1.4113.5L55 K56 L74 N75 S76 D81L55-R58 PolarHBondContact O-N 3.39Å; K56-R58 VanDerWaalsContact C-N 3.35Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; R58-N75 PolarHBondContact O-N 2.82Å; R58-S76 PolarHBondContact NH1-O 2.87Å; R58-D81 IonicContact CZ-OD1 3.68Å; R58-D81 IonicContact CZ-OD2 2.64Å; R58-D81 IonicContact NH1-OD1 3.64Å; R58-D81 PolarHBondContact NH1-OD1 2.82Å; R58-D81 IonicContact NH1-OD2 3.38Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 2.76Å; R58-D81 PolarHBondContact NH2-OD1 2.88Å; R58-D81 IonicContact NH2-OD2 3.43Å
59I96.6Very high96.3Very high11 Ų1164.8 Ų64.86%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-102.7146.7-175.168.4177.1000113.1M40 Y51 L55 L72 Q73 L74M40-I59 HydrophobicContact CB-CD1 4.39Å; M40-I59 HydrophobicContact CE-CG2 3.96Å; M40-I59 WeakPolarHBondContact O-CD1 3.4Å; Y51-I59 HydrophobicContact CD1-CD1 3.57Å; Y51-I59 HydrophobicContact CD1-CG1 3.57Å; Y51-I59 HydrophobicContact CE1-CD1 4.46Å; Y51-I59 HydrophobicContact CE1-CG1 4.18Å; Y51-I59 HydrophobicContact CG-CD1 4.28Å; Y51-I59 HydrophobicContact CG-CG1 4.27Å; L55-I59 HydrophobicContact CB-CD1 3.85Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 4.03Å; L55-I59 WeakPolarHBondContact O-CG1 3.41Å; L55-I59 PolarHBondContact O-N 3.07Å; I59-L72 HydrophobicContact CB-CD1 4.16Å; I59-L72 HydrophobicContact CG2-CD1 4.35Å; I59-Q73 CarbonylContact C-O 3.5Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.09Å; I59-L74 HydrophobicContact CG2-CD1 3.52Å
60S97.4Very high96.2Very high36 Ų3662.2 Ų62.225%0.25234%0.336SS..EExtended strand (participates in β ladder)trans-135133.3167.6178.90000108.8Q73S60-Q73 PolarHBondContact N-O 3.22Å; S60-Q73 PolarHBondContact O-N 3.32Å
61I97.9Very high96.3Very high4 Ų458.9 Ų58.92%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-117.6125.4178.2-59168.9000107.7I43 Y51 Y71 L72I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.72Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CD1-CG1 4.44Å; Y51-I61 HydrophobicContact CE1-CB 4.14Å; Y51-I61 HydrophobicContact CE1-CD1 4.05Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; I61-Y71 WeakPolarHBondContact CA-O 3.48Å; I61-L72 HydrophobicContact CG1-CD1 3.84Å
62T97.4Very high96.3Very high68 Ų6856.6 Ų56.642%0.41731%0.314SS..EExtended strand (participates in β ladder)trans-133.1169.4-177.963.90000110.8Y70 Y71T62-Y70 CarbonylContact O-C 3.54Å; T62-Y70 WeakPolarHBondContact O-CA 3.48Å; T62-Y70 WeakPolarHBondContact O-CB 3.1Å; T62-Y71 PolarHBondContact N-O 2.96Å; T62-Y71 VanDerWaalsContact N-O 3.11Å; T62-Y71 PolarHBondContact O-N 3.02Å
63R96.6Very high96.4Very high70 Ų7059.1 Ų59.126%0.26433%0.325SS..EExtended strand (participates in β ladder)trans-142.6152.517868.9-179.5-174.4168.82.9112.7I21 I43 S44 Y45 S46 Q69I21-R63 HydrophobicContact CD1-CB 3.97Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.8Å; S44-R63 PolarHBondContact O-NH1 3.11Å; Y45-R63 VanDerWaalsContact O-CZ 3.23Å; Y45-R63 PolarHBondContact O-NH1 3.34Å; Y45-R63 PolarHBondContact O-NH2 2.89Å; S46-R63 PolarHBondContact O-NH2 3.4Å; R63-Q69 WeakPolarHBondContact CA-O 3.26Å
64D96.5Very high96.4Very high40 Ų4054.6 Ų54.621%0.21430%0.295CS..EExtended strand (participates in β ladder)trans-125.1102169.6-175.6-16.4000108.2S66 K67 N68 Q69 Y71D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.12Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 3.29Å; D64-S66 PolarHBondContact OD1-OG 3.11Å; D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 2.88Å; D64-K67 PolarHBondContact OD1-N 3.3Å; D64-K67 WeakPolarHBondContact OD2-CD 3.22Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.34Å; D64-K67 IonicContact OD2-NZ 2.68Å; D64-K67 PolarHBondContact OD2-NZ 3.26Å; D64-N68 PolarHBondContact O-N 2.9Å; D64-N68 VanDerWaalsContact O-N 3.07Å; D64-Q69 PolarHBondContact N-O 2.88Å; D64-Q69 PolarHBondContact O-N 3.23Å; D64-Q69 VanDerWaalsContact O-N 3.07Å; D64-Y71 HydrophobicContact CB-CE2 3.79Å
65T95.6Very high96.5Very high76 Ų7652.5 Ų52.547%0.46628%0.277SS..THydrogen-bonded Turntrans-70.1-23.7-178.655.40000112.4I21 T22 K67 N68I21-T65 HydrophobicContact CD1-CG2 4.19Å; I21-T65 HydrophobicContact CG1-CG2 4.32Å; T22-T65 HydrophobicContact CG2-CG2 3.47Å; T22-T65 VanDerWaalsContact CG2-CG2 3.47Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 3.43Å; T65-N68 PolarHBondContact O-N 3.46Å
66S95.9Very high96.4Very high103 Ų10355.7 Ų55.772%0.7230%0.299SS*.THydrogen-bonded Turntrans-70-28.5176.476.10000112D64D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.12Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 3.29Å; D64-S66 PolarHBondContact OD1-OG 3.11Å
67K96.6Very high96.4Very high126 Ų12649.1 Ų49.155%0.54827%0.271SS..THydrogen-bonded Turntrans-101.5-4.6179-61.6-178.8-169162.50113.7D64 T65 Q69D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 2.88Å; D64-K67 PolarHBondContact OD1-N 3.3Å; D64-K67 WeakPolarHBondContact OD2-CD 3.22Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.34Å; D64-K67 IonicContact OD2-NZ 2.68Å; D64-K67 PolarHBondContact OD2-NZ 3.26Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 3.43Å; K67-Q69 HydrophobicContact CB-CB 4.19Å; K67-Q69 HydrophobicContact CB-CG 4.04Å; K67-Q69 PolarHBondContact O-N 2.94Å
68N96.2Very high96.4Very high35 Ų3546.2 Ų46.219%0.18725%0.249CC..THydrogen-bonded Turntrans54.142.6-172.1-15742.1000112.5V16 Y19 S20 I21 D64 T65V16-N68 PolarHBondContact N-O 3.49Å; V16-N68 PolarHBondContact O-ND2 2.84Å; Y19-N68 PolarHBondContact O-ND2 3.15Å; S20-N68 WeakPolarHBondContact CA-OD1 3.46Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.43Å; I21-N68 PolarHBondContact N-OD1 2.84Å; D64-N68 PolarHBondContact O-N 2.9Å; D64-N68 VanDerWaalsContact O-N 3.07Å; T65-N68 PolarHBondContact O-N 3.46Å
69Q97.2Very high96.2Very high43 Ų4347.5 Ų47.520%0.20126%0.263CS..EExtended strand (participates in β ladder)trans-124.4150.3-176.2-75175.7-10.300112T13 C14 S15 I21 R63 D64 K67 Y71T13-Q69 HydrophobicContact CG2-CB 4.41Å; T13-Q69 HydrophobicContact CG2-CG 4.21Å; C14-Q69 WeakPolarHBondContact O-CA 3.12Å; S15-Q69 PolarHBondContact OG-NE2 3.06Å; I21-Q69 WeakPolarHBondContact CD1-O 3.44Å; R63-Q69 WeakPolarHBondContact CA-O 3.26Å; D64-Q69 PolarHBondContact N-O 2.88Å; D64-Q69 PolarHBondContact O-N 3.23Å; D64-Q69 VanDerWaalsContact O-N 3.07Å; K67-Q69 HydrophobicContact CB-CB 4.19Å; K67-Q69 HydrophobicContact CB-CG 4.04Å; K67-Q69 PolarHBondContact O-N 2.94Å; Q69-Y71 HydrophobicContact CB-CE1 4.2Å; Q69-Y71 HydrophobicContact CB-CE2 4.22Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.35Å; Q69-Y71 PolarHBondContact OE1-OH 2.84Å
70Y96.8Very high96.1Very high2 Ų254.3 Ų54.31%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-135.5153.8167.469.1-78.7000111C14 V16 I21 W26 N27 W28 I43 T62 C87 A88C14-Y70 HydrophobicContact CB-CD1 3.89Å; C14-Y70 HydrophobicContact CB-CD2 4.44Å; C14-Y70 HydrophobicContact CB-CE1 3.49Å; C14-Y70 VanDerWaalsContact CB-CE1 3.49Å; C14-Y70 HydrophobicContact CB-CE2 4.09Å; C14-Y70 HydrophobicContact CB-CG 4.37Å; C14-Y70 PolarHBondContact N-O 2.78Å; C14-Y70 PolarHBondContact O-N 3.16Å; C14-Y70 WeakPolarHBondContact SG-CE1 3.45Å; C14-Y70 VanDerWaalsContact SG-CZ 3.58Å; V16-Y70 HydrophobicContact CG2-CD1 4.15Å; V16-Y70 HydrophobicContact CG2-CE1 3.82Å; I21-Y70 HydrophobicContact CG2-CD1 4.29Å; W26-Y70 HydrophobicContact CB-CD1 4.11Å; W26-Y70 HydrophobicContact CB-CD2 4.01Å; W26-Y70 HydrophobicContact CB-CE1 3.87Å; W26-Y70 HydrophobicContact CB-CE2 3.78Å; W26-Y70 HydrophobicContact CB-CG 4.14Å; W26-Y70 HydrophobicContact CD2-CD1 4.5Å; W26-Y70 HydrophobicContact CD2-CE1 4.05Å; W26-Y70 AromaticContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CG-CD1 4.31Å; W26-Y70 HydrophobicContact CG-CE1 4.13Å; N27-Y70 PolarHBondContact O-OH 2.92Å; W28-Y70 AromaticContact CD1-CE2 3.89Å; W28-Y70 HydrophobicContact CD2-CE2 4.39Å; W28-Y70 AromaticContact CE2-CD2 3.9Å; W28-Y70 AromaticContact CE2-CE2 3.68Å; W28-Y70 HydrophobicContact CZ2-CD2 4.21Å; W28-Y70 HydrophobicContact CZ2-CE2 4.1Å; W28-Y70 AromaticContact NE1-CD2 3.29Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.29Å; W28-Y70 AromaticContact NE1-CE2 3.34Å; W28-Y70 VanDerWaalsContact NE1-CE2 3.34Å; I43-Y70 HydrophobicContact CG2-CD2 4.44Å; T62-Y70 CarbonylContact O-C 3.54Å; T62-Y70 WeakPolarHBondContact O-CA 3.48Å; T62-Y70 WeakPolarHBondContact O-CB 3.1Å; Y70-C87 HydrophobicContact CE2-CB 4.14Å; Y70-C87 WeakPolarHBondContact OH-CB 3.28Å; Y70-A88 PolarHBondContact OH-N 3.18Å
71Y97.4Very high95.9Very high39 Ų3952.7 Ų52.715%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-128.9148.1-164.8-47.3-85.8000110.9L12 T13 I61 T62 D64 Q69L12-Y71 CarbonylContact O-C 3.55Å; L12-Y71 WeakPolarHBondContact O-CA 3.4Å; T13-Y71 HydrophobicContact CG2-CD1 3.81Å; T13-Y71 HydrophobicContact CG2-CE1 3.47Å; T13-Y71 VanDerWaalsContact CG2-CE1 3.47Å; T13-Y71 VanDerWaalsContact OG1-CD1 3.32Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.27Å; T13-Y71 WeakPolarHBondContact OG1-CE1 3.48Å; I61-Y71 WeakPolarHBondContact CA-O 3.48Å; T62-Y71 PolarHBondContact N-O 2.96Å; T62-Y71 VanDerWaalsContact N-O 3.11Å; T62-Y71 PolarHBondContact O-N 3.02Å; D64-Y71 HydrophobicContact CB-CE2 3.79Å; Q69-Y71 HydrophobicContact CB-CE1 4.2Å; Q69-Y71 HydrophobicContact CB-CE2 4.22Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.35Å; Q69-Y71 PolarHBondContact OE1-OH 2.84Å
72L98Very high95.8Very high2 Ų254.1 Ų54.11%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-119.2122.2167.4174.472000108.4S11 L12 W28 M40 I59 I61 Y85S11-L72 CarbonylContact C-O 3.58Å; S11-L72 WeakPolarHBondContact CA-O 3.04Å; L12-L72 HydrophobicContact CB-CB 4.39Å; L12-L72 HydrophobicContact CD1-CD2 4.31Å; L12-L72 PolarHBondContact N-O 2.84Å; L12-L72 PolarHBondContact O-N 3.19Å; W28-L72 HydrophobicContact CB-CD2 4.26Å; W28-L72 HydrophobicContact CD2-CB 3.66Å; W28-L72 HydrophobicContact CD2-CD2 3.99Å; W28-L72 HydrophobicContact CD2-CG 4.38Å; W28-L72 VanDerWaalsContact CE2-CB 3.45Å; W28-L72 HydrophobicContact CE3-CB 4.23Å; W28-L72 HydrophobicContact CE3-CD2 4.05Å; W28-L72 HydrophobicContact CG-CB 3.92Å; W28-L72 HydrophobicContact CG-CD1 4.36Å; W28-L72 HydrophobicContact CG-CD2 4.1Å; W28-L72 HydrophobicContact CG-CG 4.37Å; W28-L72 HydrophobicContact CH2-CB 4.43Å; W28-L72 HydrophobicContact CZ2-CB 3.88Å; M40-L72 HydrophobicContact CE-CD1 4.32Å; M40-L72 HydrophobicContact CE-CD2 3.71Å; M40-L72 HydrophobicContact SD-CD2 3.71Å; I59-L72 HydrophobicContact CB-CD1 4.16Å; I59-L72 HydrophobicContact CG2-CD1 4.35Å; I61-L72 HydrophobicContact CG1-CD1 3.84Å; L72-Y85 HydrophobicContact CD2-CD1 4.01Å; L72-Y85 HydrophobicContact CD2-CE1 4.36Å
73Q97.3Very high95.8Very high83 Ų8351.1 Ų51.139%0.38827%0.274SS..EExtended strand (participates in β ladder)trans-103.4127.8166.7-168.2177.637.400108.4T9 L10 I59 S60T9-Q73 HydrophobicContact CG2-CG 3.34Å; L10-Q73 CarbonylContact O-C 3.44Å; L10-Q73 WeakPolarHBondContact O-CA 3.43Å; I59-Q73 CarbonylContact C-O 3.5Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.09Å; S60-Q73 PolarHBondContact N-O 3.22Å; S60-Q73 PolarHBondContact O-N 3.32Å
74L96.5Very high95.9Very high0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-121.4114.2173.6174.765.1000108.4T9 L10 R58 I59 V77 D81 Y85T9-L74 WeakPolarHBondContact CA-O 3.42Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 3.39Å; L10-L74 PolarHBondContact O-N 2.87Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; I59-L74 HydrophobicContact CG2-CD1 3.52Å; L74-V77 HydrophobicContact CB-CG1 4.47Å; L74-V77 HydrophobicContact CD2-CG1 3.91Å; L74-V77 HydrophobicContact CG-CG1 3.9Å; L74-D81 HydrophobicContact CD2-CB 4Å; L74-Y85 HydrophobicContact CD2-CE1 4.45Å
75N95.5Very high95.9Very high51 Ų5147.7 Ų47.727%0.27326%0.262SS..  trans-89.8151.5-177-64.3-43.3000111.5T9 R58 V77T9-N75 WeakPolarHBondContact CG2-OD1 3.25Å; T9-N75 PolarHBondContact OG1-OD1 2.9Å; R58-N75 PolarHBondContact O-N 2.82Å; N75-V77 PolarHBondContact O-N 2.84Å
76S93.5Very high96Very high71 Ų7146.2 Ų46.250%0.49725%0.248SC..SBendtrans52.556.5176.4-53.90000111.8Q8 R58Q8-S76 PolarHBondContact O-N 3.37Å; R58-S76 PolarHBondContact NH1-O 2.87Å
77V94.6Very high96Very high1 Ų142.1 Ų42.11%0.00622%0.219CC..  trans-63.7143-178.6-63.30000111.6A4 K5 P6 S7 Q8 L10 L74 N75 D81 V108A4-V77 HydrophobicContact CB-CG2 4.27Å; K5-V77 WeakPolarHBondContact O-CG2 3.44Å; P6-V77 CarbonylContact C-O 3.49Å; P6-V77 WeakPolarHBondContact CA-O 3.36Å; S7-V77 PolarHBondContact N-O 3.21Å; Q8-V77 WeakPolarHBondContact O-CG2 2.99Å; Q8-V77 PolarHBondContact O-N 2.86Å; Q8-V77 VanDerWaalsContact O-N 3.07Å; L10-V77 HydrophobicContact CB-CG1 3.78Å; L74-V77 HydrophobicContact CB-CG1 4.47Å; L74-V77 HydrophobicContact CD2-CG1 3.91Å; L74-V77 HydrophobicContact CG-CG1 3.9Å; N75-V77 PolarHBondContact O-N 2.84Å; V77-D81 VanDerWaalsContact CA-OD2 3.28Å; V77-D81 WeakPolarHBondContact CA-OD2 3.43Å; V77-D81 HydrophobicContact CB-CB 4.38Å; V77-V108 HydrophobicContact CB-CG2 4.21Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.13Å
78T94.3Very high95.9Very high54 Ų5436.1 Ų36.133%0.33119%0.194SC..  trans-118.4171.717469.60000110.2E80 D81 V108T78-E80 PolarHBondContact O-N 2.83Å; T78-E80 WeakPolarHBondContact OG1-CB 3.45Å; T78-E80 PolarHBondContact OG1-N 2.88Å; T78-D81 PolarHBondContact N-OD2 3.01Å; T78-D81 WeakPolarHBondContact O-CB 3.37Å; T78-D81 PolarHBondContact O-N 3.45Å; T78-V108 VanDerWaalsContact O-CB 3.3Å; T78-V108 WeakPolarHBondContact O-CB 3.42Å; T78-V108 WeakPolarHBondContact O-CG1 3.16Å
79T93.3Very high95.7Very high83 Ų8335.3 Ų35.351%0.50919%0.188SC..G310 helixtrans-56.7-29.9174.349.80000112.4D81 T82T79-D81 PolarHBondContact O-N 2.89Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.19Å; T79-T82 PolarHBondContact O-N 3.39Å; T79-T82 VanDerWaalsContact O-N 3.15Å; T79-T82 PolarHBondContact O-OG1 2.78Å
80E92.6Very high95.2Very high154 Ų15436.3 Ų36.372%0.7219%0.19SC*.G310 helixtrans-65.7-20.8175.2-57.917717300113F32 T78 T82F32-E80 VanDerWaalsContact CE1-O 3.27Å; F32-E80 WeakPolarHBondContact CE1-O 3.45Å; T78-E80 PolarHBondContact O-N 2.83Å; T78-E80 WeakPolarHBondContact OG1-CB 3.45Å; T78-E80 PolarHBondContact OG1-N 2.88Å; E80-T82 PolarHBondContact O-N 2.74Å
81D95Very high94Very high2 Ų237 Ų371%0.01119%0.194CC..G310 helixtrans-82.24.6176.2-60.9-51.6000112.7R30 R58 L74 V77 T78 T79 A83 Y85R30-D81 IonicContact CZ-OD1 2.87Å; R30-D81 IonicContact NH1-OD1 3.47Å; R30-D81 PolarHBondContact NH1-OD1 3.11Å; R30-D81 IonicContact NH2-OD1 3.64Å; R58-D81 IonicContact CZ-OD1 3.68Å; R58-D81 IonicContact CZ-OD2 2.64Å; R58-D81 IonicContact NH1-OD1 3.64Å; R58-D81 PolarHBondContact NH1-OD1 2.82Å; R58-D81 IonicContact NH1-OD2 3.38Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 2.76Å; R58-D81 PolarHBondContact NH2-OD1 2.88Å; R58-D81 IonicContact NH2-OD2 3.43Å; L74-D81 HydrophobicContact CD2-CB 4Å; V77-D81 VanDerWaalsContact CA-OD2 3.28Å; V77-D81 WeakPolarHBondContact CA-OD2 3.43Å; V77-D81 HydrophobicContact CB-CB 4.38Å; T78-D81 PolarHBondContact N-OD2 3.01Å; T78-D81 WeakPolarHBondContact O-CB 3.37Å; T78-D81 PolarHBondContact O-N 3.45Å; T79-D81 PolarHBondContact O-N 2.89Å; D81-A83 PolarHBondContact O-N 3.06Å; D81-A83 VanDerWaalsContact O-N 3.16Å; D81-Y85 PolarHBondContact O-OH 3.36Å
82T96Very high92.5Very high34 Ų3436.6 Ų36.621%0.20920%0.202CC..  trans-65.2110.1170.9-65.70000110.4T79 E80 V106 T107 V108T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.19Å; T79-T82 PolarHBondContact O-N 3.39Å; T79-T82 VanDerWaalsContact O-N 3.15Å; T79-T82 PolarHBondContact O-OG1 2.78Å; E80-T82 PolarHBondContact O-N 2.74Å; T82-V106 WeakPolarHBondContact CA-O 3.41Å; T82-T107 HydrophobicContact CG2-CG2 4.45Å; T82-V108 PolarHBondContact OG1-N 3.01Å; T82-V108 PolarHBondContact OG1-O 2.58Å
83A97.1Very high90.9Very high5 Ų546.2 Ų46.24%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-162.2168.3-175.900000111.2R30 K31 F32 D81 Y85 V106R30-A83 HydrophobicContact CB-CB 3.96Å; R30-A83 HydrophobicContact CG-CB 4.44Å; K31-A83 WeakPolarHBondContact O-CA 3.35Å; K31-A83 WeakPolarHBondContact O-CB 3.16Å; F32-A83 HydrophobicContact CD1-CB 4.02Å; F32-A83 HydrophobicContact CE1-CB 4.24Å; D81-A83 PolarHBondContact O-N 3.06Å; D81-A83 VanDerWaalsContact O-N 3.16Å; A83-Y85 HydrophobicContact CB-CD2 4.39Å; A83-Y85 HydrophobicContact CB-CE2 3.89Å; A83-Y85 WeakPolarHBondContact O-CD2 3.43Å; A83-V106 PolarHBondContact N-O 2.89Å; A83-V106 VanDerWaalsContact N-O 3.13Å; A83-V106 PolarHBondContact O-N 2.71Å
84T97.7Very high89.3Confident35 Ų3550.8 Ų50.822%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-92.2122.7161.6-530000109.4R30 K31 Y86 T104R30-T84 CarbonylContact C-O 3.47Å; R30-T84 WeakPolarHBondContact CA-O 3.31Å; K31-T84 PolarHBondContact N-O 3.04Å; K31-T84 PolarHBondContact O-N 2.9Å; T84-Y86 HydrophobicContact CG2-CD2 4.27Å; T84-Y86 HydrophobicContact CG2-CE1 4.14Å; T84-Y86 HydrophobicContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.41Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.25Å; T84-Y86 WeakPolarHBondContact O-CD2 3.14Å; T84-Y86 WeakPolarHBondContact O-CE2 3.33Å; T84-T104 WeakPolarHBondContact CA-O 3.48Å
85Y97.5Very high87.9Confident2 Ų259.8 Ų59.81%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-97.8124.2-177.6-68.7-100.8000109.9L10 L12 R30 M40 L72 L74 D81 A83 G103 T104 V106L10-Y85 HydrophobicContact CD2-CE2 4.2Å; L12-Y85 HydrophobicContact CD1-CD1 3.68Å; L12-Y85 HydrophobicContact CD1-CD2 4.02Å; L12-Y85 HydrophobicContact CD1-CG 3.4Å; R30-Y85 HydrophobicContact CB-CD1 3.83Å; R30-Y85 HydrophobicContact CB-CE1 3.88Å; R30-Y85 HydrophobicContact CB-CG 4.27Å; R30-Y85 HydrophobicContact CG-CE1 4.45Å; R30-Y85 PolarHBondContact NH1-OH 3.07Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.9Å; M40-Y85 HydrophobicContact SD-CD1 3.74Å; M40-Y85 HydrophobicContact SD-CE1 3.69Å; L72-Y85 HydrophobicContact CD2-CD1 4.01Å; L72-Y85 HydrophobicContact CD2-CE1 4.36Å; L74-Y85 HydrophobicContact CD2-CE1 4.45Å; D81-Y85 PolarHBondContact O-OH 3.36Å; A83-Y85 HydrophobicContact CB-CD2 4.39Å; A83-Y85 HydrophobicContact CB-CE2 3.89Å; A83-Y85 WeakPolarHBondContact O-CD2 3.43Å; Y85-G103 CarbonylContact O-C 3.56Å; Y85-G103 VanDerWaalsContact O-CA 3.25Å; Y85-G103 WeakPolarHBondContact O-CA 3.38Å; Y85-T104 PolarHBondContact N-O 2.99Å; Y85-T104 PolarHBondContact O-N 2.83Å; Y85-V106 HydrophobicContact CD2-CB 4.12Å; Y85-V106 HydrophobicContact CD2-CG2 3.94Å; Y85-V106 HydrophobicContact CE2-CB 3.93Å; Y85-V106 HydrophobicContact CE2-CG2 4.17Å
86Y97.1Very high86.8Confident45 Ų4559.1 Ų59.118%0.17629%0.292CS..EExtended strand (participates in β ladder)trans-111.8142.2-179.1-62.3-91000110W28 I29 K31 T84 W100 G101W28-Y86 WeakPolarHBondContact CA-O 3.38Å; I29-Y86 PolarHBondContact N-O 3.07Å; I29-Y86 PolarHBondContact O-N 3.04Å; K31-Y86 HydrophobicContact CB-CD2 4.23Å; K31-Y86 HydrophobicContact CB-CE2 3.6Å; K31-Y86 HydrophobicContact CD-CE2 4.22Å; T84-Y86 HydrophobicContact CG2-CD2 4.27Å; T84-Y86 HydrophobicContact CG2-CE1 4.14Å; T84-Y86 HydrophobicContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.41Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.25Å; T84-Y86 WeakPolarHBondContact O-CD2 3.14Å; T84-Y86 WeakPolarHBondContact O-CE2 3.33Å; Y86-W100 HydrophobicContact CD1-CE3 4.08Å; Y86-W100 HydrophobicContact CD2-CZ3 4.42Å; Y86-W100 AromaticContact CG-CE3 3.9Å; Y86-W100 HydrophobicContact CG-CE3 3.9Å; Y86-W100 HydrophobicContact CG-CZ3 4.03Å; Y86-G101 WeakPolarHBondContact CD1-O 3.43Å
87C95.4Very high86.1Confident17 Ų1759.1 Ų59.112%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-105.7132.7169.273.20000107.2C14 N27 W28 Y70 G101C14-C87 HydrophobicContact CB-CB 3.36Å; C14-C87 WeakPolarHBondContact CB-SG 3.37Å; C14-C87 WeakPolarHBondContact SG-CB 3.25Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.2Å; N27-C87 WeakPolarHBondContact O-CA 3.46Å; W28-C87 HydrophobicContact CE3-CB 4.21Å; W28-C87 HydrophobicContact CH2-CB 4.05Å; W28-C87 HydrophobicContact CZ2-CB 4.35Å; W28-C87 HydrophobicContact CZ3-CB 3.98Å; Y70-C87 HydrophobicContact CE2-CB 4.14Å; Y70-C87 WeakPolarHBondContact OH-CB 3.28Å; C87-G101 PolarHBondContact O-N 3.46Å
88A94.4Very high85.3Confident1 Ų162.8 Ų62.81%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-138.1144.5-174.700000111.8N27 I29 Y70 Y99 W100N27-A88 HydrophobicContact CB-CB 4.4Å; N27-A88 WeakPolarHBondContact CB-O 3.39Å; N27-A88 PolarHBondContact N-O 2.81Å; N27-A88 PolarHBondContact ND2-O 2.84Å; N27-A88 PolarHBondContact O-N 2.87Å; I29-A88 HydrophobicContact CD1-CB 3.8Å; Y70-A88 PolarHBondContact OH-N 3.18Å; A88-Y99 CarbonylContact C-O 3.54Å; A88-Y99 WeakPolarHBondContact CA-O 3.42Å; A88-Y99 WeakPolarHBondContact CB-O 3.32Å; A88-W100 HydrophobicContact CB-CD2 4.03Å; A88-W100 HydrophobicContact CB-CE3 4.44Å; A88-W100 HydrophobicContact CB-CG 4.24Å
89R92.5Very high84.9Confident17 Ų1765.6 Ų65.66%0.06431%0.31CS..EExtended strand (participates in β ladder)trans-86.6139.5170.5-170.4174.373.9161.1-10.6109.3D24 W26 M97 D98 Y99D24-R89 HydrophobicContact CB-CG 3.94Å; D24-R89 WeakPolarHBondContact OD2-CD 3.43Å; D24-R89 IonicContact OD2-CZ 2.69Å; D24-R89 IonicContact OD2-NH1 3.08Å; D24-R89 PolarHBondContact OD2-NH1 2.9Å; W26-R89 HydrophobicContact CE3-CB 4.14Å; W26-R89 HydrophobicContact CE3-CG 4.34Å; W26-R89 HydrophobicContact CH2-CB 4.21Å; W26-R89 HydrophobicContact CH2-CG 3.92Å; W26-R89 HydrophobicContact CZ2-CG 4.34Å; W26-R89 HydrophobicContact CZ3-CB 3.72Å; W26-R89 HydrophobicContact CZ3-CG 3.91Å; R89-M97 VanDerWaalsContact O-CA 3.26Å; R89-M97 WeakPolarHBondContact O-CA 3.32Å; R89-D98 IonicContact CZ-OD1 3.96Å; R89-D98 IonicContact CZ-OD2 3.86Å; R89-D98 IonicContact NE-OD1 3.41Å; R89-D98 PolarHBondContact NE-OD1 3.18Å; R89-D98 VanDerWaalsContact NE-OD1 3.1Å; R89-D98 IonicContact NE-OD2 3.1Å; R89-D98 PolarHBondContact NE-OD2 3.46Å; R89-D98 IonicContact NH2-OD1 3.22Å; R89-D98 IonicContact NH2-OD2 3.78Å; R89-D98 PolarHBondContact NH2-OD2 3.07Å; R89-Y99 PolarHBondContact N-O 3.36Å
90Y86.1Confident84.8Confident64 Ų6466 Ų6625%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-113.1116164.3172.8-95.4000108.3Y25 N27 Y95 M97Y25-Y90 HydrophobicContact CD2-CD1 4.02Å; Y25-Y90 HydrophobicContact CG-CD1 4.3Å; Y25-Y90 PolarHBondContact N-O 3.34Å; Y25-Y90 PolarHBondContact O-N 3.43Å; N27-Y90 WeakPolarHBondContact ND2-CB 3.48Å; N27-Y90 PolarHBondContact ND2-N 2.94Å; Y90-Y95 WeakPolarHBondContact OH-CA 3.48Å; Y90-Y95 VanDerWaalsContact OH-CD1 3.26Å; Y90-Y95 WeakPolarHBondContact OH-CD1 3.19Å; Y90-M97 HydrophobicContact CD2-CG 4.35Å
91D72.1Confident84.8Confident17 Ų1759.4 Ų59.49%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-85.7114.3173.9-171.2-30.6000108.6Y93 Y94 Y95 A96D91-Y93 PolarHBondContact O-N 2.85Å; D91-Y93 VanDerWaalsContact OD1-CB 3.31Å; D91-Y93 WeakPolarHBondContact OD1-CB 3.32Å; D91-Y93 PolarHBondContact OD1-N 3.34Å; D91-Y94 HydrophobicContact CB-CD2 4.42Å; D91-Y94 PolarHBondContact O-N 2.88Å; D91-Y94 WeakPolarHBondContact OD2-CD2 3.49Å; D91-Y95 PolarHBondContact O-N 3.01Å; D91-Y95 VanDerWaalsContact O-N 3.11Å; D91-A96 PolarHBondContact N-O 3.19Å; D91-A96 VanDerWaalsContact N-O 3.12Å
92G65.3Low84.7Confident31 Ų3168.2 Ų68.232%0.3232%0.316SS..THydrogen-bonded Turntrans-65.7-19.7-179.700000114.1
93Y64.8Low84.6Confident203 Ų20367.9 Ų67.980%0.79632%0.319SS*.THydrogen-bonded Turntrans-78.5-36.5178-73.8-81.9000112.7D91D91-Y93 PolarHBondContact O-N 2.85Å; D91-Y93 VanDerWaalsContact OD1-CB 3.31Å; D91-Y93 WeakPolarHBondContact OD1-CB 3.32Å; D91-Y93 PolarHBondContact OD1-N 3.34Å
94Y63.8Low84.5Confident180 Ų18070.5 Ų70.571%0.70634%0.335SS*.THydrogen-bonded Turntrans-103.1-0.7-176.6-62.2-75.2000113.8D91 A96D91-Y94 HydrophobicContact CB-CD2 4.42Å; D91-Y94 PolarHBondContact O-N 2.88Å; D91-Y94 WeakPolarHBondContact OD2-CD2 3.49Å; Y94-A96 PolarHBondContact O-N 2.79Å; Y94-A96 VanDerWaalsContact O-N 3.13Å
95Y67.7Low84.4Confident188 Ų18871.2 Ų71.274%0.73734%0.341SS*.THydrogen-bonded Turntrans51.831.6-175.3-58.6-87.4000113.2Y90 D91Y90-Y95 WeakPolarHBondContact OH-CA 3.48Å; Y90-Y95 VanDerWaalsContact OH-CD1 3.26Å; Y90-Y95 WeakPolarHBondContact OH-CD1 3.19Å; D91-Y95 PolarHBondContact O-N 3.01Å; D91-Y95 VanDerWaalsContact O-N 3.11Å
96A72.5Confident84.3Confident38 Ų3871.2 Ų71.231%0.31434%0.341SS..EExtended strand (participates in β ladder)trans-126.7145.5-170.900000111.8D91 Y94 D98D91-A96 PolarHBondContact N-O 3.19Å; D91-A96 VanDerWaalsContact N-O 3.12Å; Y94-A96 PolarHBondContact O-N 2.79Å; Y94-A96 VanDerWaalsContact O-N 3.13Å; A96-D98 PolarHBondContact O-N 3.28Å
97M79.1Confident84.2Confident70 Ų7072 Ų7235%0.34535%0.351SS..EExtended strand (participates in β ladder)trans-86.785.6163.8-73.7179.4172.800108.8N27 I29 Y39 R89 Y90 W100N27-M97 HydrophobicContact CB-CE 4.08Å; I29-M97 HydrophobicContact CD1-CE 3.87Å; I29-M97 HydrophobicContact CD1-SD 3.56Å; I29-M97 VanDerWaalsContact CD1-SD 3.56Å; Y39-M97 HydrophobicContact CD2-CE 4.32Å; Y39-M97 HydrophobicContact CE2-CE 4.17Å; R89-M97 VanDerWaalsContact O-CA 3.26Å; R89-M97 WeakPolarHBondContact O-CA 3.32Å; Y90-M97 HydrophobicContact CD2-CG 4.35Å; M97-W100 HydrophobicContact CB-CZ2 4.48Å; M97-W100 PolarHBondContact O-NE1 3.3Å; M97-W100 HydrophobicContact SD-CZ2 4Å
98D77.6Confident84Confident78 Ų7871.4 Ų71.442%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-84.5-26.6-16865.7-22.8000113.4R89 A96R89-D98 IonicContact CZ-OD1 3.96Å; R89-D98 IonicContact CZ-OD2 3.86Å; R89-D98 IonicContact NE-OD1 3.41Å; R89-D98 PolarHBondContact NE-OD1 3.18Å; R89-D98 VanDerWaalsContact NE-OD1 3.1Å; R89-D98 IonicContact NE-OD2 3.1Å; R89-D98 PolarHBondContact NE-OD2 3.46Å; R89-D98 IonicContact NH2-OD1 3.22Å; R89-D98 IonicContact NH2-OD2 3.78Å; R89-D98 PolarHBondContact NH2-OD2 3.07Å; A96-D98 PolarHBondContact O-N 3.28Å
99Y85.3Confident83.6Confident114 Ų11473.9 Ų73.945%0.44736%0.364SS..EExtended strand (participates in β ladder)trans-124.6130.5178.3-172.9-95.2000112.5A88 R89A88-Y99 CarbonylContact C-O 3.54Å; A88-Y99 WeakPolarHBondContact CA-O 3.42Å; A88-Y99 WeakPolarHBondContact CB-O 3.32Å; R89-Y99 PolarHBondContact N-O 3.36Å
100W91.7Very high82.9Confident92 Ų9280.8 Ų80.835%0.34842%0.415SS..EExtended strand (participates in β ladder)trans-122.9135.3175.3-7166.3000110.2I29 Y86 A88 M97I29-W100 HydrophobicContact CB-CH2 4.21Å; I29-W100 HydrophobicContact CB-CZ3 4.12Å; I29-W100 HydrophobicContact CD1-CE3 4.49Å; I29-W100 HydrophobicContact CD1-CH2 3.37Å; I29-W100 HydrophobicContact CD1-CZ2 3.76Å; I29-W100 HydrophobicContact CD1-CZ3 3.77Å; I29-W100 HydrophobicContact CG1-CH2 4.26Å; I29-W100 HydrophobicContact CG2-CH2 3.95Å; I29-W100 HydrophobicContact CG2-CZ3 4.06Å; Y86-W100 HydrophobicContact CD1-CE3 4.08Å; Y86-W100 HydrophobicContact CD2-CZ3 4.42Å; Y86-W100 AromaticContact CG-CE3 3.9Å; Y86-W100 HydrophobicContact CG-CE3 3.9Å; Y86-W100 HydrophobicContact CG-CZ3 4.03Å; A88-W100 HydrophobicContact CB-CD2 4.03Å; A88-W100 HydrophobicContact CB-CE3 4.44Å; A88-W100 HydrophobicContact CB-CG 4.24Å; M97-W100 HydrophobicContact CB-CZ2 4.48Å; M97-W100 PolarHBondContact O-NE1 3.3Å; M97-W100 HydrophobicContact SD-CZ2 4Å
101G91.9Very high82.7Confident14 Ų1481.7 Ų81.714%0.14442%0.423CS..  trans-67.2164.3167.700000111.8Y86 C87 G103Y86-G101 WeakPolarHBondContact CD1-O 3.43Å; C87-G101 PolarHBondContact O-N 3.46Å; G101-G103 PolarHBondContact O-N 3.41Å
102Q93.2Very high83.3Confident187 Ų18785.1 Ų85.187%0.87444%0.441SS*.  trans-62.2-17.6-179.6-64.9-62-4800114
103G94Very high84.3Confident28 Ų2888.1 Ų88.129%0.28945%0.448SS..  trans84.1147.2-179.200000113Y85 G101Y85-G103 CarbonylContact O-C 3.56Å; Y85-G103 VanDerWaalsContact O-CA 3.25Å; Y85-G103 WeakPolarHBondContact O-CA 3.38Å; G101-G103 PolarHBondContact O-N 3.41Å
104T95.7Very high85.4Confident60 Ų6081.3 Ų81.337%0.36843%0.427SS..EExtended strand (participates in β ladder)trans-118112.1177.2-61.40000109L12 T84 Y85 V106L12-T104 HydrophobicContact CD2-CG2 4.06Å; T84-T104 WeakPolarHBondContact CA-O 3.48Å; Y85-T104 PolarHBondContact N-O 2.99Å; Y85-T104 PolarHBondContact O-N 2.83Å; T104-V106 HydrophobicContact CG2-CG2 4.29Å; T104-V106 PolarHBondContact O-N 3.43Å
105S95.8Very high86.8Confident50 Ų5075.1 Ų75.135%0.3541%0.41SS..EExtended strand (participates in β ladder)trans-72.1126173.5-170.50000110.2P1 G2P1-S105 CarbonylContact C-O 3.54Å; P1-S105 WeakPolarHBondContact CA-O 2.86Å; G2-S105 PolarHBondContact N-O 2.81Å
106V95.1Very high88Confident1 Ų167.6 Ų67.61%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-121.2131173.2179.90000109.1G2 L10 L12 T82 A83 Y85 T104 V108G2-V106 WeakPolarHBondContact O-CA 3.42Å; L10-V106 HydrophobicContact CD1-CG1 4.16Å; L10-V106 HydrophobicContact CD1-CG2 4.08Å; L10-V106 HydrophobicContact CD2-CB 4.4Å; L10-V106 HydrophobicContact CD2-CG1 4.04Å; L10-V106 HydrophobicContact CD2-CG2 4.08Å; L12-V106 HydrophobicContact CD2-CG2 4.22Å; T82-V106 WeakPolarHBondContact CA-O 3.41Å; A83-V106 PolarHBondContact N-O 2.89Å; A83-V106 VanDerWaalsContact N-O 3.13Å; A83-V106 PolarHBondContact O-N 2.71Å; Y85-V106 HydrophobicContact CD2-CB 4.12Å; Y85-V106 HydrophobicContact CD2-CG2 3.94Å; Y85-V106 HydrophobicContact CE2-CB 3.93Å; Y85-V106 HydrophobicContact CE2-CG2 4.17Å; T104-V106 HydrophobicContact CG2-CG2 4.29Å; T104-V106 PolarHBondContact O-N 3.43Å; V106-V108 HydrophobicContact CG1-CG2 4.37Å
107T94.3Very high89.1Confident61 Ų6169.7 Ų69.737%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-114.4126.9174.7-57.60000108.9G2 L3 A4 T82G2-T107 PolarHBondContact O-N 3.47Å; L3-T107 HydrophobicContact CD1-CG2 4.49Å; A4-T107 PolarHBondContact N-O 2.69Å; T82-T107 HydrophobicContact CG2-CG2 4.45Å
108V90.6Very high89.9Confident5 Ų569.7 Ų69.73%0.0340%0.397CS..EExtended strand (participates in β ladder)trans-111.1116.1174.4-172.20000107.9A4 P6 V77 T78 T82 V106A4-V108 HydrophobicContact CB-CG2 4.33Å; A4-V108 WeakPolarHBondContact O-CA 3.17Å; P6-V108 HydrophobicContact CG-CG1 4.28Å; V77-V108 HydrophobicContact CB-CG2 4.21Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.13Å; T78-V108 VanDerWaalsContact O-CB 3.3Å; T78-V108 WeakPolarHBondContact O-CB 3.42Å; T78-V108 WeakPolarHBondContact O-CG1 3.16Å; T82-V108 PolarHBondContact OG1-N 3.01Å; T82-V108 PolarHBondContact OG1-O 2.58Å; V106-V108 HydrophobicContact CG1-CG2 4.37Å
109S87.4Confident90.9Very high54 Ų5469 Ų6938%0.37840%0.395SS..  trans-137.4146.3-17960.20000110.7P6P6-S109 WeakPolarHBondContact CD-O 3.37Å
110S76.2Confident91.4Very high162 Ų16264.9 Ų64.9100%1.13339%0.39SS*.  trans-71.20173.256.60000112.4

Retrieved 110 of 110 residues in 22.8 ms (Link to these results)

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