A0A087YKE0_POEFO Loading...

ELL associated factor 1

AlphaFold DB , UniProt , Accession A0A087YKE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 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
1M36.9Very low60.9Low241 Ų241127 Ų127100%1.18772%0.72SS**  098.90-83136.2129.200107.3G3M1-G3 PolarHBondContact O-N 2.91Å
2N42.5Very low63Low171 Ų171128.9 Ų128.991%0.91472%0.718SS**  trans-82.2106.2176.8-72.4-9.9000107.5S4N2-S4 PolarHBondContact O-N 3.4Å; N2-S4 VanDerWaalsContact O-N 3.11Å
3G50.7Low65.1Low70 Ų70134.5 Ų134.572%0.72274%0.735SS**  trans-63.7108.3171.400000108.6M1 T5M1-G3 PolarHBondContact O-N 2.91Å; G3-T5 PolarHBondContact O-N 2.75Å
4S50.1Low66.9Low119 Ų119129.7 Ų129.783%0.83271%0.705SS**  trans-55.7110.6166.148.40000107.9N2 N6N2-S4 PolarHBondContact O-N 3.4Å; N2-S4 VanDerWaalsContact O-N 3.11Å; S4-N6 PolarHBondContact O-N 3.44Å
5T53.9Low68.7Low92 Ų92129.1 Ų129.156%0.56471%0.707SS**  trans-62.6117.8176.749.20000107.9G3 P7G3-T5 PolarHBondContact O-N 2.75Å; T5-P7 VanDerWaalsContact O-CD 3.3Å; T5-P7 WeakPolarHBondContact O-CD 3.43Å
6N61.3Low70.4Confident106 Ų106126.8 Ų126.857%0.56769%0.693SS**  trans-66.5114.5174.2-128.5-39.1000106.7S4 L8 L9S4-N6 PolarHBondContact O-N 3.44Å; N6-L8 PolarHBondContact O-N 2.93Å; N6-L9 HydrophobicContact CB-CB 4.47Å; N6-L9 HydrophobicContact CB-CD1 4.43Å; N6-L9 HydrophobicContact CB-CG 4.41Å; N6-L9 PolarHBondContact O-N 3.04Å
7P63Low72Confident125 Ų125125.1 Ų125.181%0.81268%0.677SS**THydrogen-bonded Turntrans-64.3-13.9-172.725.1-33.6000113.4T5T5-P7 VanDerWaalsContact O-CD 3.3Å; T5-P7 WeakPolarHBondContact O-CD 3.43Å
8L66.5Low73.3Confident121 Ų121124.6 Ų124.663%0.63467%0.673SS**THydrogen-bonded Turntrans-78.2-22.4172.8-109.185.9000113.9N6 H92N6-L8 PolarHBondContact O-N 2.93Å; L8-H92 PolarHBondContact O-CE1 2.78Å
9L77Confident74.5Confident79 Ų79118.6 Ų118.641%0.41464%0.644SS.*SBendtrans-109.6121.7-178.1-58.4179.1000107.9N6 I90N6-L9 HydrophobicContact CB-CB 4.47Å; N6-L9 HydrophobicContact CB-CD1 4.43Å; N6-L9 HydrophobicContact CB-CG 4.41Å; N6-L9 PolarHBondContact O-N 3.04Å; L9-I90 HydrophobicContact CD2-CD1 3.31Å
10D82.8Confident75.5Confident88 Ų88116.3 Ų116.347%0.47163%0.629SS.*  trans-66.5174.4168.863.142.1000110.4E12 H14D10-E12 VanDerWaalsContact C-N 3.28Å; D10-E12 WeakPolarHBondContact OD1-CB 3.4Å; D10-E12 PolarHBondContact OD1-N 3.33Å; D10-H14 IonicContact OD1-CD2 3.44Å; D10-H14 PolarHBondContact OD1-CD2 2.94Å; D10-H14 IonicContact OD1-CE1 3.89Å; D10-H14 IonicContact OD1-NE2 2.75Å; D10-H14 PolarHBondContact OD1-NE2 3.02Å; D10-H14 IonicContact OD2-CE1 3.4Å; D10-H14 PolarHBondContact OD2-CE1 3.39Å; D10-H14 IonicContact OD2-NE2 2.91Å; D10-H14 PolarHBondContact OD2-NE2 3.26Å
11K84.9Confident76.4Confident185 Ų185111.3 Ų111.380%0.80460%0.603SS**SBendtrans-94.211.3177.9-64180-179.8175.60111.9
12E86.8Confident79.1Confident150 Ų150103.7 Ų103.770%0.70156%0.563SS**SBendtrans-87.2160.2-175.4-57.7-160.2154.200111D10 H14D10-E12 VanDerWaalsContact C-N 3.28Å; D10-E12 WeakPolarHBondContact OD1-CB 3.4Å; D10-E12 PolarHBondContact OD1-N 3.33Å; E12-H14 PolarHBondContact O-CD2 3.2Å
13E89.9Confident81.6Confident201 Ų20199.9 Ų99.994%0.93954%0.54SS*.  trans-84.3123.2174.8-67.6-175.2174.800109.5
14H90.5Very high83.6Confident68 Ų68106.8 Ų106.832%0.31555%0.55SS.*  trans-111.6139.3177.6-67.4-82.5000111.2D10 E12 L16 F97D10-H14 IonicContact OD1-CD2 3.44Å; D10-H14 PolarHBondContact OD1-CD2 2.94Å; D10-H14 IonicContact OD1-CE1 3.89Å; D10-H14 IonicContact OD1-NE2 2.75Å; D10-H14 PolarHBondContact OD1-NE2 3.02Å; D10-H14 IonicContact OD2-CE1 3.4Å; D10-H14 PolarHBondContact OD2-CE1 3.39Å; D10-H14 IonicContact OD2-NE2 2.91Å; D10-H14 PolarHBondContact OD2-NE2 3.26Å; E12-H14 PolarHBondContact O-CD2 3.2Å; H14-L16 PolarHBondContact O-N 3.11Å; H14-F97 HydrophobicContact CB-CB 4.49Å; H14-F97 HydrophobicContact CB-CD1 4.1Å; H14-F97 HydrophobicContact CB-CD2 3.49Å; H14-F97 VanDerWaalsContact CB-CD2 3.49Å; H14-F97 HydrophobicContact CB-CE1 4.17Å; H14-F97 HydrophobicContact CB-CE2 3.6Å; H14-F97 HydrophobicContact CB-CG 3.78Å; H14-F97 HydrophobicContact CB-CZ 3.94Å; H14-F97 AromaticContact CD2-CE2 3.66Å; H14-F97 AromaticContact CD2-CZ 3.43Å; H14-F97 VanDerWaalsContact CD2-CZ 3.43Å; H14-F97 WeakPolarHBondContact CD2-CZ 3.06Å; H14-F97 AromaticContact CE1-CE2 3.72Å; H14-F97 AromaticContact CG-CD2 3.64Å; H14-F97 AromaticContact CG-CE2 3.19Å; H14-F97 AromaticContact CG-CZ 3.46Å; H14-F97 VanDerWaalsContact CG-CZ 3.46Å; H14-F97 AromaticContact ND1-CD2 3.83Å; H14-F97 AromaticContact ND1-CE2 3.26Å; H14-F97 VanDerWaalsContact ND1-CE2 3.26Å; H14-F97 WeakPolarHBondContact ND1-CE2 3.25Å; H14-F97 AromaticContact ND1-CZ 3.89Å; H14-F97 AromaticContact NE2-CE2 3.93Å; H14-F97 AromaticContact NE2-CZ 3.8Å
15V94.2Very high85.7Confident120 Ų120111.3 Ų111.373%0.72755%0.549SS*.PPolyproline II helixtrans-70.5118.1175.9177.80000109.4
16L96.1Very high87.5Confident93 Ų93110.4 Ų110.449%0.48755%0.545SS..EExtended strand (participates in β ladder)trans-80.2118.8175.1-173.165.9000110.8H14 L88 F97 L99H14-L16 PolarHBondContact O-N 3.11Å; L16-L88 HydrophobicContact CD1-CD1 3.51Å; L16-F97 HydrophobicContact CD1-CB 4.39Å; L16-L99 HydrophobicContact CD1-CB 4.06Å; L16-L99 HydrophobicContact CD2-CB 4.4Å; L16-L99 HydrophobicContact CD2-CD2 4.4Å; L16-L99 HydrophobicContact CG-CB 4.35Å
17K96.7Very high88.9Confident97 Ų97112.7 Ų112.742%0.42255%0.55SS..EExtended strand (participates in β ladder)trans-95.8140.1173.2-61.4-177.7-175.8-179.90109.9E96 F97 V98 L99K17-E96 IonicContact NZ-OE1 2.64Å; K17-E96 PolarHBondContact NZ-OE1 3.01Å; K17-F97 PolarHBondContact N-O 3Å; K17-V98 HydrophobicContact CB-CG2 4.39Å; K17-V98 CarbonylContact O-C 3.49Å; K17-V98 WeakPolarHBondContact O-CA 3.33Å; K17-L99 PolarHBondContact O-N 3.09Å
18L96.4Very high90.2Very high116 Ų116108.8 Ų108.861%0.60753%0.526SS*.EExtended strand (participates in β ladder)trans-85.4127.1167.5-60-177.8000108.5F22 L99L18-F22 HydrophobicContact CB-CB 4.29Å; L18-F22 HydrophobicContact CB-CD2 4.09Å; L18-F22 HydrophobicContact CB-CG 4.24Å; L18-F22 HydrophobicContact CD2-CD2 4.33Å; L18-F22 HydrophobicContact CD2-CE2 4.22Å; L18-F22 HydrophobicContact CD2-CZ 4.37Å; L18-L99 HydrophobicContact CD2-CB 4.15Å; L18-L99 HydrophobicContact CD2-CD2 4.12Å
19G95.1Very high91.4Very high12 Ų12105.9 Ų105.912%0.12452%0.515CS..  trans-79.6-178.9-179.300000114S21 F22 L99 E100G19-S21 PolarHBondContact O-N 3.16Å; G19-S21 VanDerWaalsContact O-N 3.17Å; G19-F22 PolarHBondContact O-N 3.49Å; G19-F22 VanDerWaalsContact O-N 3.13Å; G19-L99 PolarHBondContact N-O 3.4Å; G19-E100 WeakPolarHBondContact CA-OE1 3.37Å
20E95Very high92.2Very high71 Ų71104.9 Ų104.933%0.33251%0.508SS..G310 helixtrans-65.6-21.5-172-65.3-165.7142.800112.9F22 E23 K27 E100E20-F22 PolarHBondContact O-N 2.92Å; E20-E23 WeakPolarHBondContact O-CB 3.23Å; E20-E23 WeakPolarHBondContact O-CG 3.43Å; E20-E23 PolarHBondContact O-N 3.28Å; E20-K27 IonicContact OE1-NZ 2.78Å; E20-K27 PolarHBondContact OE1-NZ 3.42Å; E20-E100 PolarHBondContact N-OE1 3.11Å; E20-E100 PolarHBondContact N-OE2 3.1Å
21S94.3Very high92.8Very high12 Ų12105 Ų1058%0.08451%0.505CS..G310 helixtrans-65.8-15.9176.265.50000114G19 E100 K101G19-S21 PolarHBondContact O-N 3.16Å; G19-S21 VanDerWaalsContact O-N 3.17Å; S21-E100 WeakPolarHBondContact CB-OE2 3.22Å; S21-E100 PolarHBondContact N-OE2 3.4Å; S21-E100 WeakPolarHBondContact OG-CA 3.26Å; S21-E100 PolarHBondContact OG-OE2 3.18Å; S21-K101 PolarHBondContact OG-N 2.95Å
22F93.5Very high93.4Very high81 Ų8198.1 Ų98.136%0.35548%0.479SS..G310 helixtrans-88.8-7.4174.3-72.9-87.7000113.4L18 G19 E20 L99 K101L18-F22 HydrophobicContact CB-CB 4.29Å; L18-F22 HydrophobicContact CB-CD2 4.09Å; L18-F22 HydrophobicContact CB-CG 4.24Å; L18-F22 HydrophobicContact CD2-CD2 4.33Å; L18-F22 HydrophobicContact CD2-CE2 4.22Å; L18-F22 HydrophobicContact CD2-CZ 4.37Å; G19-F22 PolarHBondContact O-N 3.49Å; G19-F22 VanDerWaalsContact O-N 3.13Å; E20-F22 PolarHBondContact O-N 2.92Å; F22-L99 HydrophobicContact CE2-CB 4.4Å; F22-L99 HydrophobicContact CE2-CD2 4.43Å; F22-L99 HydrophobicContact CE2-CG 4.23Å; F22-L99 WeakPolarHBondContact CE2-O 3.3Å; F22-L99 HydrophobicContact CZ-CD2 4.09Å; F22-L99 HydrophobicContact CZ-CG 4.29Å; F22-K101 HydrophobicContact CE1-CB 4.37Å; F22-K101 HydrophobicContact CE2-CB 4.16Å; F22-K101 HydrophobicContact CZ-CB 4.06Å
23E94.7Very high93.8Very high92 Ų9294 Ų9443%0.4346%0.461SS..SBendtrans-67.5156.6177.5-66.1-176.5-179.800111.8E20 R25E20-E23 WeakPolarHBondContact O-CB 3.23Å; E20-E23 WeakPolarHBondContact O-CG 3.43Å; E20-E23 PolarHBondContact O-N 3.28Å; E23-R25 PolarHBondContact O-N 3.21Å; E23-R25 VanDerWaalsContact O-N 3.14Å
24K93.1Very high94.1Very high214 Ų21490.4 Ų90.493%0.9344%0.439SS*.SBendtrans-59.7-25.7175.3-66.8-176.7-179.5179.70112.9
25R93.4Very high94.3Very high214 Ų21491.6 Ų91.681%0.80844%0.441SS*.SBendtrans-134.282.7176.4-61.4-167-145.9102.2-1108.5E23 K27E23-R25 PolarHBondContact O-N 3.21Å; E23-R25 VanDerWaalsContact O-N 3.14Å; R25-K27 PolarHBondContact O-N 2.9Å
26P91.8Very high94.2Very high74 Ų7490.4 Ų90.448%0.48143%0.431SS..  trans-65134.4-174.727.7-34.4000110.4
27K91.3Very high93.8Very high153 Ų15390.8 Ų90.867%0.66543%0.429SS*.SBendtrans-87.2-18.4177-57.4178.9-154.2138.80112.7E20 R25E20-K27 IonicContact OE1-NZ 2.78Å; E20-K27 PolarHBondContact OE1-NZ 3.42Å; R25-K27 PolarHBondContact O-N 2.9Å
28S89.9Confident93.3Very high44 Ų4494.2 Ų94.231%0.30844%0.443SS..  trans-131.2158.8-179.763.60000110.5
29S91.7Very high92.9Very high60 Ų6089.1 Ų89.142%0.4242%0.417SS..  trans-140.1136.6178.4-169.40000109.7H31 S103S29-H31 PolarHBondContact OG-CE1 2.81Å; S29-H31 PolarHBondContact OG-NE2 2.64Å; S29-S103 WeakPolarHBondContact OG-CB 2.93Å; S29-S103 PolarHBondContact OG-OG 2.8Å
30F95.3Very high92.5Very high57 Ų5793.9 Ų93.925%0.2546%0.455CS..EExtended strand (participates in β ladder)trans-106135.1-179.2-66.3-98.5000110.2V87 I89 E100 L102 S103F30-V87 HydrophobicContact CD1-CG1 4.18Å; F30-V87 HydrophobicContact CG-CG1 4.42Å; F30-I89 HydrophobicContact CE1-CD1 3.78Å; F30-I89 HydrophobicContact CZ-CD1 4.06Å; F30-E100 HydrophobicContact CD2-CB 3.71Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.42Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.61Å; F30-E100 HydrophobicContact CE2-CG 3.46Å; F30-E100 VanDerWaalsContact CE2-CG 3.46Å; F30-E100 HydrophobicContact CG-CB 4.18Å; F30-E100 HydrophobicContact CZ-CB 3.98Å; F30-E100 HydrophobicContact CZ-CG 3.55Å; F30-L102 HydrophobicContact CB-CD2 3.88Å; F30-S103 PolarHBondContact O-N 3.28Å
31H95.2Very high92.2Very high90 Ų9092 Ų9242%0.41745%0.45SS..EExtended strand (participates in β ladder)trans-132.7144.3-177-50.4-64.8000110S29 S104 I106S29-H31 PolarHBondContact OG-CE1 2.81Å; S29-H31 PolarHBondContact OG-NE2 2.64Å; H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.26Å; H31-S104 PolarHBondContact ND1-OG 3.42Å; H31-I106 HydrophobicContact CB-CD1 4.25Å
32T95.7Very high92.2Very high41 Ų4192.8 Ų92.825%0.25245%0.453SS..EExtended strand (participates in β ladder)trans-99.3135.6169.366.80000109.4Y82 L102 S104 S105 I106T32-Y82 HydrophobicContact CG2-CE2 3.87Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.3Å; T32-Y82 PolarHBondContact OG1-OH 2.87Å; T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.92Å; T32-L102 HydrophobicContact CG2-CG 4.5Å; T32-S104 PolarHBondContact N-O 2.85Å; T32-S105 WeakPolarHBondContact OG1-CA 3.41Å; T32-S105 PolarHBondContact OG1-OG 2.81Å; T32-S105 VanDerWaalsContact OG1-OG 3.12Å; T32-I106 PolarHBondContact O-N 2.84Å
33I96.1Very high92.2Very high64 Ų6489.9 Ų89.933%0.32844%0.442SS..EExtended strand (participates in β ladder)trans-115.2124.9171.3-60.3169.5000107.9Y35 I60 I106 V108I33-Y35 HydrophobicContact CB-CE2 4.46Å; I33-Y35 HydrophobicContact CG2-CD2 4.3Å; I33-Y35 HydrophobicContact CG2-CE1 4.34Å; I33-Y35 HydrophobicContact CG2-CE2 3.69Å; I33-I60 HydrophobicContact CD1-CD1 3.96Å; I33-I60 HydrophobicContact CG2-CD1 3.53Å; I33-I106 CarbonylContact C-O 3.55Å; I33-I106 WeakPolarHBondContact CA-O 3.32Å; I33-I106 HydrophobicContact CG1-CB 4.17Å; I33-I106 HydrophobicContact CG1-CD1 3.97Å; I33-V108 HydrophobicContact CG2-CG1 4.36Å; I33-V108 HydrophobicContact CG2-CG2 4.23Å
34R95.8Very high92.2Very high125 Ų12591.5 Ų91.547%0.47246%0.458SS..EExtended strand (participates in β ladder)trans-117.7122175-170.9171.567.5-103.39.5110.4I106 Q107 V108R34-I106 PolarHBondContact N-O 2.81Å; R34-Q107 VanDerWaalsContact NH2-OE1 3.12Å; R34-V108 PolarHBondContact O-N 2.85Å
35Y94.8Very high92.3Very high94 Ų9486.3 Ų86.337%0.36945%0.449SS..EExtended strand (participates in β ladder)trans-88.6143.4174.9-57.1-93.5000109.8I33 F37 I60 L62 F75 V108I33-Y35 HydrophobicContact CB-CE2 4.46Å; I33-Y35 HydrophobicContact CG2-CD2 4.3Å; I33-Y35 HydrophobicContact CG2-CE1 4.34Å; I33-Y35 HydrophobicContact CG2-CE2 3.69Å; Y35-F37 VanDerWaalsContact C-N 3.34Å; Y35-I60 HydrophobicContact CE1-CD1 4.13Å; Y35-I60 HydrophobicContact CE1-CG2 4.37Å; Y35-L62 HydrophobicContact CE1-CD1 4.2Å; Y35-F75 AromaticContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD2 4.05Å; Y35-F75 AromaticContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE2 4.11Å; Y35-F75 AromaticContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CZ 4.06Å; Y35-F75 HydrophobicContact CE1-CD2 4.06Å; Y35-F75 HydrophobicContact CE1-CE2 4.31Å; Y35-F75 HydrophobicContact CE1-CG 4.21Å; Y35-V108 HydrophobicContact CD1-CG2 3.44Å; Y35-V108 VanDerWaalsContact CD1-CG2 3.44Å; Y35-V108 HydrophobicContact CE1-CG2 3.78Å; Y35-V108 HydrophobicContact CG-CG2 4.01Å
36D92.3Very high92.3Very high94 Ų9479.1 Ų79.150%0.50343%0.43SS..SBendtrans-78.4-22.5169.764.6-17.2000112.7V108 K109 K110D36-V108 PolarHBondContact N-O 2.87Å; D36-K109 WeakPolarHBondContact OD2-CA 3.39Å; D36-K109 WeakPolarHBondContact OD2-CB 3.47Å; D36-K110 PolarHBondContact OD1-N 3.24Å; D36-K110 VanDerWaalsContact OD1-N 3.13Å; D36-K110 PolarHBondContact OD2-N 2.84Å
37F88.3Confident92.4Very high102 Ų10284.6 Ų84.645%0.44745%0.449SS..  trans-152.2137.7-174.5178-101.8000110.5Y35 P39 F75 K110Y35-F37 VanDerWaalsContact C-N 3.34Å; F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.45Å; F37-P39 HydrophobicContact CE1-CB 3.88Å; F37-P39 HydrophobicContact CE1-CG 3.76Å; F37-F75 VanDerWaalsContact O-CE1 3.26Å; F37-F75 WeakPolarHBondContact O-CE1 3.11Å; F37-F75 VanDerWaalsContact O-CZ 3.3Å; F37-F75 WeakPolarHBondContact O-CZ 3.33Å; F37-K110 HydrophobicContact CD1-CD 3.96Å; F37-K110 HydrophobicContact CE1-CD 4.33Å
38K86.6Confident92.6Very high168 Ų16879.3 Ų79.373%0.7344%0.439SS*.  trans-109.3112.4169.8-176179.7177.9-179.30108.8
39P86.6Confident92.9Very high9 Ų982 Ų826%0.05845%0.446CS..  trans-62.9145.2176.4-17.928.7000111.4F37 S41 I42 T73 F75F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.45Å; F37-P39 HydrophobicContact CE1-CB 3.88Å; F37-P39 HydrophobicContact CE1-CG 3.76Å; P39-S41 PolarHBondContact O-N 2.78Å; P39-I42 HydrophobicContact CB-CD1 4.01Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.73Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; P39-T73 HydrophobicContact CG-CG2 4.05Å; P39-F75 HydrophobicContact CG-CZ 4.21Å
40A86.3Confident93.1Very high112 Ų11283.8 Ų83.893%0.92645%0.451SS*.THydrogen-bonded Turntrans-65.8-28.1177.800000112.9
41S89.8Confident93.2Very high32 Ų3285.5 Ų85.522%0.22446%0.459CS..THydrogen-bonded Turntrans-100.113.8-171.351.40000114.6P39 D43 H64 I65P39-S41 PolarHBondContact O-N 2.78Å; S41-D43 PolarHBondContact O-N 3.42Å; S41-H64 CarbonylContact O-C 3.43Å; S41-H64 WeakPolarHBondContact O-CA 3.35Å; S41-H64 VanDerWaalsContact O-CB 3.25Å; S41-H64 WeakPolarHBondContact O-CB 3.21Å; S41-H64 PolarHBondContact OG-CE1 2.99Å; S41-H64 PolarHBondContact OG-ND1 2.48Å; S41-I65 PolarHBondContact O-N 3.04Å
42I93.9Very high93.2Very high29 Ų2986.2 Ų86.215%0.14947%0.47CS..BIsolated β-bridgetrans-60.3127.5174.6-65.2-55.1000109.4P39 T44 L62P39-I42 HydrophobicContact CB-CD1 4.01Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.73Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; I42-T44 PolarHBondContact O-N 3.19Å; I42-L62 HydrophobicContact CD1-CB 3.64Å; I42-L62 HydrophobicContact CD1-CD1 4.23Å; I42-L62 HydrophobicContact CG2-CB 4.48Å
43D94.6Very high93Very high20 Ų2085.8 Ų85.811%0.10747%0.474CS..  trans-79.5114.1170.6-169.8-11.3000109.2S41 S45 C46 P63 I65S41-D43 PolarHBondContact O-N 3.42Å; D43-S45 VanDerWaalsContact C-N 3.35Å; D43-S45 WeakPolarHBondContact OD1-CB 3.06Å; D43-S45 PolarHBondContact OD1-N 3.06Å; D43-S45 PolarHBondContact OD1-OG 3.13Å; D43-S45 PolarHBondContact OD2-OG 2.78Å; D43-C46 HydrophobicContact CB-CB 4.32Å; D43-C46 PolarHBondContact OD2-SG 3.17Å; D43-P63 PolarHBondContact N-O 3.35Å; D43-I65 HydrophobicContact CB-CG2 4.09Å
44T93.8Very high92.8Very high126 Ų12692.4 Ų92.477%0.77350%0.5SS*.SBendtrans-87.2-7.5179.256.50000113.2I42I42-T44 PolarHBondContact O-N 3.19Å
45S94.8Very high92.6Very high105 Ų10589.9 Ų89.973%0.73451%0.513SS*.SBendtrans-86.9-16174.272.90000112.9D43D43-S45 VanDerWaalsContact C-N 3.35Å; D43-S45 WeakPolarHBondContact OD1-CB 3.06Å; D43-S45 PolarHBondContact OD1-N 3.06Å; D43-S45 PolarHBondContact OD1-OG 3.13Å; D43-S45 PolarHBondContact OD2-OG 2.78Å
46C93.5Very high92.6Very high63 Ų6389.3 Ų89.343%0.42652%0.517SS..SBendtrans-102.3145.9177.4-68.90000111.4D43 P63D43-C46 HydrophobicContact CB-CB 4.32Å; D43-C46 PolarHBondContact OD2-SG 3.17Å; C46-P63 HydrophobicContact CB-CB 4.33Å; C46-P63 HydrophobicContact CB-CG 3.56Å
47E95.4Very high92.8Very high188 Ų18888.9 Ų88.988%0.87951%0.511SS*.PPolyproline II helixtrans-71.3143.6175-63.9-175.5166.300111.5
48G94.6Very high93.3Very high43 Ų4384.1 Ų84.144%0.44349%0.491SS..PPolyproline II helixtrans-94.3156.8170.300000111.7T61G48-T61 CarbonylContact C-O 3.47Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å
49E96.3Very high93.8Very high99 Ų9976.8 Ų76.846%0.46346%0.46SS..EExtended strand (participates in β ladder)trans-99.3134177.1-168.5-177.5-171.700110.9Q51 I60 T61E49-Q51 VanDerWaalsContact CD-NE2 3.27Å; E49-Q51 HydrophobicContact CG-CG 4.13Å; E49-Q51 PolarHBondContact OE1-NE2 3.27Å; E49-I60 CarbonylContact O-C 3.55Å; E49-I60 VanDerWaalsContact O-CA 3.28Å; E49-I60 WeakPolarHBondContact O-CA 3.32Å; E49-T61 PolarHBondContact N-O 2.75Å; E49-T61 PolarHBondContact O-N 2.96Å
50L96.4Very high94.3Very high98 Ų9876.6 Ų76.651%0.51346%0.459SS..EExtended strand (participates in β ladder)trans-119.7114.6173.1174.469.9000109V58 I60L50-V58 HydrophobicContact CD1-CG1 3.35Å; L50-I60 HydrophobicContact CD1-CD1 4.05Å; L50-I60 HydrophobicContact CD1-CG1 3.6Å
51Q96.5Very high94.7Very high93 Ų9372.5 Ų72.544%0.43542%0.422SS..EExtended strand (participates in β ladder)trans-110.5129.6176.2-63.8179.2-1.200110.1E49 V58 T59E49-Q51 VanDerWaalsContact CD-NE2 3.27Å; E49-Q51 HydrophobicContact CG-CG 4.13Å; E49-Q51 PolarHBondContact OE1-NE2 3.27Å; Q51-V58 WeakPolarHBondContact O-CA 3.48Å; Q51-T59 PolarHBondContact N-O 2.88Å; Q51-T59 PolarHBondContact O-N 3.48Å
52V94.3Very high95Very high105 Ų10572.5 Ų72.564%0.63642%0.42SS*.EExtended strand (participates in β ladder)trans-97.6113.3169.6-175.60000107.7
53G92.8Very high95.1Very high33 Ų3372.7 Ų72.734%0.3442%0.422SS..  trans-81.2-165.5-179.200000112.8E57G53-E57 PolarHBondContact N-O 3.14Å
54K92.3Very high95.1Very high202 Ų20272.6 Ų72.688%0.87842%0.421SS*.SBendtrans-68.4141.8174.6-67.8-177.5-179.5179.20110.4D56 E57K54-D56 PolarHBondContact O-N 2.96Å; K54-E57 PolarHBondContact O-N 3.46Å
55G91.9Very high95.1Very high72 Ų7270.8 Ų70.874%0.74241%0.406SS*.THydrogen-bonded Turntrans68.6-124.5-176.800000111.1
56D94.1Very high95.1Very high83 Ų8371.5 Ų71.544%0.44441%0.408SS..THydrogen-bonded Turntrans-106.411.5-179.5-74.2-50.4000113K54 N78 K79K54-D56 PolarHBondContact O-N 2.96Å; D56-N78 CarbonylContact O-C 3.55Å; D56-N78 WeakPolarHBondContact O-CA 3.49Å; D56-K79 HydrophobicContact CB-CB 4.05Å; D56-K79 WeakPolarHBondContact CB-O 3.38Å; D56-K79 PolarHBondContact O-N 2.72Å
57E96.6Very high95Very high84 Ų8472.4 Ų72.439%0.39343%0.428SS..EExtended strand (participates in β ladder)trans-68.1137-179.5-172.5177.398.400111.7G53 K54G53-E57 PolarHBondContact N-O 3.14Å; K54-E57 PolarHBondContact O-N 3.46Å
58V97.6Very high94.7Very high3 Ų364.8 Ų64.82%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-131.5128.1175.6-179.10000109.3L50 Q51 I60 K76 G77 K79 I106L50-V58 HydrophobicContact CD1-CG1 3.35Å; Q51-V58 WeakPolarHBondContact O-CA 3.48Å; V58-I60 HydrophobicContact CG1-CG1 4.24Å; V58-K76 WeakPolarHBondContact O-CA 3.32Å; V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.8Å; V58-K79 HydrophobicContact CG2-CB 4.38Å; V58-I106 HydrophobicContact CB-CG2 3.93Å; V58-I106 HydrophobicContact CG1-CG2 4.06Å; V58-I106 HydrophobicContact CG2-CD1 4.24Å; V58-I106 HydrophobicContact CG2-CG1 4.44Å; V58-I106 HydrophobicContact CG2-CG2 4.1Å
59T97.2Very high94.5Very high14 Ų1469.4 Ų69.49%0.08642%0.415CS..EExtended strand (participates in β ladder)trans-115.7131.5173.7-61.50000109.6Q51 V74 F75 K76Q51-T59 PolarHBondContact N-O 2.88Å; Q51-T59 PolarHBondContact O-N 3.48Å; T59-V74 HydrophobicContact CG2-CG1 3.69Å; T59-F75 CarbonylContact C-O 3.6Å; T59-F75 WeakPolarHBondContact CA-O 3.42Å; T59-K76 HydrophobicContact CG2-CG 4.23Å
60I96.8Very high94.1Very high5 Ų567.5 Ų67.53%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-121.5123.9177.6-53.1-178.5000108.8I33 Y35 E49 L50 V58 L62 V74 F75 V108I33-I60 HydrophobicContact CD1-CD1 3.96Å; I33-I60 HydrophobicContact CG2-CD1 3.53Å; Y35-I60 HydrophobicContact CE1-CD1 4.13Å; Y35-I60 HydrophobicContact CE1-CG2 4.37Å; E49-I60 CarbonylContact O-C 3.55Å; E49-I60 VanDerWaalsContact O-CA 3.28Å; E49-I60 WeakPolarHBondContact O-CA 3.32Å; L50-I60 HydrophobicContact CD1-CD1 4.05Å; L50-I60 HydrophobicContact CD1-CG1 3.6Å; V58-I60 HydrophobicContact CG1-CG1 4.24Å; I60-L62 HydrophobicContact CG2-CD2 3.91Å; I60-L62 HydrophobicContact CG2-CG 4.05Å; I60-V74 CarbonylContact O-C 3.56Å; I60-V74 WeakPolarHBondContact O-CA 3.15Å; I60-F75 HydrophobicContact CB-CB 4.3Å; I60-F75 PolarHBondContact N-O 3.36Å; I60-F75 PolarHBondContact O-N 3.12Å; I60-V108 HydrophobicContact CD1-CG1 3.94Å; I60-V108 HydrophobicContact CD1-CG2 4.34Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å
61T96.2Very high93.9Very high25 Ų2566.9 Ų66.915%0.15341%0.414CS..EExtended strand (participates in β ladder)trans-113.3116.5176.8-56.30000108.9G48 E49 M72 V74G48-T61 CarbonylContact C-O 3.47Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å; E49-T61 PolarHBondContact N-O 2.75Å; E49-T61 PolarHBondContact O-N 2.96Å; T61-M72 HydrophobicContact CG2-CB 4.22Å; T61-M72 HydrophobicContact CG2-CG 4.21Å; T61-M72 HydrophobicContact CG2-SD 3.47Å; T61-M72 WeakPolarHBondContact CG2-SD 3.4Å; T61-V74 HydrophobicContact CG2-CG2 4.27Å
62L95.4Very high93.7Very high33 Ų3366.9 Ų66.917%0.17342%0.415CS..EExtended strand (participates in β ladder)trans-110.1125.4178.1-60.1-178000110.2Y35 I42 I60 M72 T73 F75Y35-L62 HydrophobicContact CE1-CD1 4.2Å; I42-L62 HydrophobicContact CD1-CB 3.64Å; I42-L62 HydrophobicContact CD1-CD1 4.23Å; I42-L62 HydrophobicContact CG2-CB 4.48Å; I60-L62 HydrophobicContact CG2-CD2 3.91Å; I60-L62 HydrophobicContact CG2-CG 4.05Å; L62-M72 CarbonylContact O-C 3.51Å; L62-M72 WeakPolarHBondContact O-CA 3.41Å; L62-M72 WeakPolarHBondContact O-CB 3.36Å; L62-T73 PolarHBondContact N-O 3.48Å; L62-T73 PolarHBondContact O-N 3.12Å; L62-F75 HydrophobicContact CD1-CE2 4.09Å
63P95.8Very high93.7Very high32 Ų3262.1 Ų62.121%0.20839%0.386CS..EExtended strand (participates in β ladder)trans-68.6154.1177.329.9-34.7000111.1D43 C46D43-P63 PolarHBondContact N-O 3.35Å; C46-P63 HydrophobicContact CB-CB 4.33Å; C46-P63 HydrophobicContact CB-CG 3.56Å
64H94.9Very high93.8Very high18 Ų1862.5 Ų62.58%0.08338%0.382CS..BIsolated β-bridgetrans-102.9164.3169-73.7-162.7000110.7S41 S68 P70 P71 T73S41-H64 CarbonylContact O-C 3.43Å; S41-H64 WeakPolarHBondContact O-CA 3.35Å; S41-H64 VanDerWaalsContact O-CB 3.25Å; S41-H64 WeakPolarHBondContact O-CB 3.21Å; S41-H64 PolarHBondContact OG-CE1 2.99Å; S41-H64 PolarHBondContact OG-ND1 2.48Å; H64-S68 WeakPolarHBondContact CB-OG 3.4Å; H64-P70 PolarHBondContact ND1-O 3.38Å; H64-P71 WeakPolarHBondContact CB-O 3.43Å; H64-P71 PolarHBondContact N-O 3.29Å; H64-T73 PolarHBondContact CE1-OG1 3.36Å; H64-T73 PolarHBondContact NE2-OG1 2.63Å
65I94.7Very high94Very high88 Ų8852.9 Ų52.945%0.45134%0.34SS..PPolyproline II helixtrans-56.1146.517459.6173.4000111.1S41 D43 G67 S68S41-I65 PolarHBondContact O-N 3.04Å; D43-I65 HydrophobicContact CB-CG2 4.09Å; I65-G67 PolarHBondContact O-N 2.95Å; I65-S68 WeakPolarHBondContact O-CB 3.47Å; I65-S68 PolarHBondContact O-N 3.44Å; I65-S68 PolarHBondContact O-OG 3.43Å
66P93.4Very high94.3Very high121 Ų12154.2 Ų54.279%0.78633%0.325SS*.THydrogen-bonded Turntrans-52.8133179.5-2835.1000113
67G90.9Very high94.4Very high82 Ų8250.6 Ų50.685%0.84531%0.308SS*.THydrogen-bonded Turntrans90.6-1.7-179.700000115.3I65I65-G67 PolarHBondContact O-N 2.95Å
68S90.3Very high94.4Very high27 Ų2751 Ų5119%0.18931%0.312CS..  trans-69.7156.3171.6750000112.1H64 I65 P70H64-S68 WeakPolarHBondContact CB-OG 3.4Å; I65-S68 WeakPolarHBondContact O-CB 3.47Å; I65-S68 PolarHBondContact O-N 3.44Å; I65-S68 PolarHBondContact O-OG 3.43Å; S68-P70 CarbonylContact C-O 3.52Å; S68-P70 PolarHBondContact OG-O 3.04Å
69T89.9Confident94.2Very high140 Ų14054.2 Ų54.286%0.85933%0.326SS*.SBendtrans-134.6117.8168.4-590000108.8
70P88.7Confident94.1Very high59 Ų5961 Ų6138%0.38335%0.35SS..SBendcis-69.1164.6-1.431.7-36.6000113.3H64 S68 M72H64-P70 PolarHBondContact ND1-O 3.38Å; S68-P70 CarbonylContact C-O 3.52Å; S68-P70 PolarHBondContact OG-O 3.04Å; P70-M72 VanDerWaalsContact C-N 3.3Å; P70-M72 PolarHBondContact O-N 3.45Å
71P91.3Very high94Very high86 Ų8665.6 Ų65.656%0.55838%0.381SS*.SBendtrans-78.2-10.6-17831.4-36.8000114.2H64H64-P71 WeakPolarHBondContact CB-O 3.43Å; H64-P71 PolarHBondContact N-O 3.29Å
72M93.4Very high93.8Very high93 Ų9367 Ų6746%0.45838%0.383SS..EExtended strand (participates in β ladder)trans-153.7165.5-17963.6-177.373.700110.6T61 L62 P70T61-M72 HydrophobicContact CG2-CB 4.22Å; T61-M72 HydrophobicContact CG2-CG 4.21Å; T61-M72 HydrophobicContact CG2-SD 3.47Å; T61-M72 WeakPolarHBondContact CG2-SD 3.4Å; L62-M72 CarbonylContact O-C 3.51Å; L62-M72 WeakPolarHBondContact O-CA 3.41Å; L62-M72 WeakPolarHBondContact O-CB 3.36Å; P70-M72 VanDerWaalsContact C-N 3.3Å; P70-M72 PolarHBondContact O-N 3.45Å
73T94.1Very high93.2Very high4 Ų473.3 Ų73.33%0.02541%0.412CS..EExtended strand (participates in β ladder)trans-123131.5168.8-66.50000110.5P39 L62 H64 F75 K110P39-T73 HydrophobicContact CG-CG2 4.05Å; L62-T73 PolarHBondContact N-O 3.48Å; L62-T73 PolarHBondContact O-N 3.12Å; H64-T73 PolarHBondContact CE1-OG1 3.36Å; H64-T73 PolarHBondContact NE2-OG1 2.63Å; T73-F75 HydrophobicContact CG2-CD2 4.01Å; T73-F75 HydrophobicContact CG2-CE1 4.37Å; T73-F75 HydrophobicContact CG2-CE2 3.42Å; T73-F75 VanDerWaalsContact CG2-CE2 3.42Å; T73-F75 HydrophobicContact CG2-CZ 3.62Å; T73-K110 HydrophobicContact CG2-CD 3.98Å; T73-K110 HydrophobicContact CG2-CG 3.75Å
74V95Very high92.8Very high42 Ų4280.5 Ų80.526%0.25544%0.44SS..EExtended strand (participates in β ladder)trans-102.5130.4176.7-177.20000109.1T59 I60 T61 K76 T111T59-V74 HydrophobicContact CG2-CG1 3.69Å; I60-V74 CarbonylContact O-C 3.56Å; I60-V74 WeakPolarHBondContact O-CA 3.15Å; T61-V74 HydrophobicContact CG2-CG2 4.27Å; V74-K76 HydrophobicContact CG1-CG 4.46Å; V74-T111 WeakPolarHBondContact O-CB 3.26Å; V74-T111 PolarHBondContact O-N 2.84Å; V74-T111 PolarHBondContact O-OG1 3.42Å
75F96.5Very high92.8Very high0 Ų083.4 Ų83.40%046%0.456CS..EExtended strand (participates in β ladder)trans-114.2139.6171.6-61.2-95.4000109.9Y35 F37 P39 T59 I60 L62 T73 V108 K109 K110Y35-F75 AromaticContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD2 4.05Å; Y35-F75 AromaticContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE2 4.11Å; Y35-F75 AromaticContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CZ 4.06Å; Y35-F75 HydrophobicContact CE1-CD2 4.06Å; Y35-F75 HydrophobicContact CE1-CE2 4.31Å; Y35-F75 HydrophobicContact CE1-CG 4.21Å; F37-F75 VanDerWaalsContact O-CE1 3.26Å; F37-F75 WeakPolarHBondContact O-CE1 3.11Å; F37-F75 VanDerWaalsContact O-CZ 3.3Å; F37-F75 WeakPolarHBondContact O-CZ 3.33Å; P39-F75 HydrophobicContact CG-CZ 4.21Å; T59-F75 CarbonylContact C-O 3.6Å; T59-F75 WeakPolarHBondContact CA-O 3.42Å; I60-F75 HydrophobicContact CB-CB 4.3Å; I60-F75 PolarHBondContact N-O 3.36Å; I60-F75 PolarHBondContact O-N 3.12Å; L62-F75 HydrophobicContact CD1-CE2 4.09Å; T73-F75 HydrophobicContact CG2-CD2 4.01Å; T73-F75 HydrophobicContact CG2-CE1 4.37Å; T73-F75 HydrophobicContact CG2-CE2 3.42Å; T73-F75 VanDerWaalsContact CG2-CE2 3.42Å; T73-F75 HydrophobicContact CG2-CZ 3.62Å; F75-V108 HydrophobicContact CB-CB 3.77Å; F75-V108 HydrophobicContact CB-CG2 3.65Å; F75-V108 HydrophobicContact CD1-CG2 4.09Å; F75-V108 HydrophobicContact CG-CG2 4.08Å; F75-K109 CarbonylContact C-O 3.57Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.48Å; F75-K110 HydrophobicContact CD1-CB 4.09Å; F75-K110 HydrophobicContact CE1-CB 3.85Å
76K96.6Very high92.8Very high99 Ų9981.8 Ų81.843%0.4345%0.452SS..EExtended strand (participates in β ladder)trans-126.2142.2175.8-70.5-168.8173.2-165.10110.8V58 T59 V74 V108 K109V58-K76 WeakPolarHBondContact O-CA 3.32Å; T59-K76 HydrophobicContact CG2-CG 4.23Å; V74-K76 HydrophobicContact CG1-CG 4.46Å; K76-V108 CarbonylContact O-C 3.55Å; K76-V108 WeakPolarHBondContact O-CA 3.28Å; K76-K109 PolarHBondContact N-O 3.36Å; K76-K109 PolarHBondContact O-N 2.8Å
77G96.6Very high92.9Very high8 Ų878.5 Ų78.58%0.08243%0.43CS..EExtended strand (participates in β ladder)trans-162.5-173.7178.800000111.8V58 Q107V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.8Å; G77-Q107 VanDerWaalsContact CA-O 3.22Å; G77-Q107 WeakPolarHBondContact CA-O 3.39Å
78N96.4Very high93.2Very high91 Ų9178.8 Ų78.849%0.48741%0.411SS..EExtended strand (participates in β ladder)trans-128.7142.9177.5-65.770.4000110.8D56D56-N78 CarbonylContact O-C 3.55Å; D56-N78 WeakPolarHBondContact O-CA 3.49Å
79K95.1Very high93.4Very high71 Ų7181 Ų8131%0.30942%0.42SS..EExtended strand (participates in β ladder)trans-69.3135.5170-175.7175.3164.2-72.90109.9D56 V58 S104 S105 I106D56-K79 HydrophobicContact CB-CB 4.05Å; D56-K79 WeakPolarHBondContact CB-O 3.38Å; D56-K79 PolarHBondContact O-N 2.72Å; V58-K79 HydrophobicContact CG2-CB 4.38Å; K79-S104 VanDerWaalsContact CE-OG 3.24Å; K79-S104 WeakPolarHBondContact CE-OG 3.47Å; K79-S104 VanDerWaalsContact CG-OG 3.3Å; K79-S104 WeakPolarHBondContact CG-OG 3.32Å; K79-S105 CarbonylContact C-O 3.55Å; K79-I106 HydrophobicContact CB-CG1 4.31Å; K79-I106 HydrophobicContact CG-CG1 4.46Å
80R94.9Very high93.6Very high156 Ų15676.2 Ų76.259%0.58939%0.389SS*.EExtended strand (participates in β ladder)trans-130132.8172.6-64.1-173.1-176.8-177.50.8109.7S104 S105R80-S104 CarbonylContact O-C 3.58Å; R80-S104 WeakPolarHBondContact O-CA 3.45Å; R80-S104 WeakPolarHBondContact O-CB 3.45Å; R80-S105 PolarHBondContact N-O 3.29Å; R80-S105 PolarHBondContact O-N 3.13Å
81P94.3Very high93.8Very high103 Ų10376.3 Ų76.367%0.66939%0.386SS*.EExtended strand (participates in β ladder)trans-66.2140.9-177.926.1-32.6000111.9S103P81-S103 WeakPolarHBondContact CA-O 3.44Å
82Y90.7Very high93.7Very high53 Ų5377.7 Ų77.721%0.20839%0.385CS..  trans-87.4148.2165-83.7-62.1000110.1T32 D85 L102 S103 S104 S105T32-Y82 HydrophobicContact CG2-CE2 3.87Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.3Å; T32-Y82 PolarHBondContact OG1-OH 2.87Å; Y82-D85 HydrophobicContact CD1-CB 3.78Å; Y82-D85 VanDerWaalsContact CD1-CG 3.48Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.3Å; Y82-D85 HydrophobicContact CE1-CB 4.16Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.24Å; Y82-D85 HydrophobicContact CG-CB 4.08Å; Y82-L102 VanDerWaalsContact CB-O 3.26Å; Y82-L102 WeakPolarHBondContact CB-O 3.49Å; Y82-L102 HydrophobicContact CD2-CB 3.55Å; Y82-L102 HydrophobicContact CD2-CD1 4.49Å; Y82-L102 HydrophobicContact CE2-CB 4.06Å; Y82-L102 HydrophobicContact CE2-CD1 4.22Å; Y82-L102 HydrophobicContact CG-CB 4.12Å; Y82-S103 PolarHBondContact N-O 3.05Å; Y82-S104 WeakPolarHBondContact CE2-O 3.49Å; Y82-S105 VanDerWaalsContact CE2-N 3.35Å; Y82-S105 VanDerWaalsContact CZ-CB 3.4Å; Y82-S105 WeakPolarHBondContact OH-CB 3.37Å; Y82-S105 PolarHBondContact OH-OG 2.99Å
83Q84.2Confident93.6Very high167 Ų16780.9 Ų80.978%0.7840%0.404SS*.SBendtrans-99.8-45.7180-65.9-173.51.100112.6
84K87.4Confident93.5Very high182 Ų18284.6 Ų84.679%0.79143%0.427SS*.SBendtrans-138.45.4-171.5-62.2-172.2178.5-179.20114.5
85D94.5Very high93.3Very high79 Ų7984.5 Ų84.542%0.42243%0.434SS..  trans-80.8142.6-174.1-62.230000110Y82 L102Y82-D85 HydrophobicContact CD1-CB 3.78Å; Y82-D85 VanDerWaalsContact CD1-CG 3.48Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.3Å; Y82-D85 HydrophobicContact CE1-CB 4.16Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.24Å; Y82-D85 HydrophobicContact CG-CB 4.08Å; D85-L102 HydrophobicContact CB-CB 4.2Å; D85-L102 HydrophobicContact CB-CD1 3.96Å; D85-L102 WeakPolarHBondContact O-CB 3.35Å; D85-L102 PolarHBondContact O-N 3.29Å
86C95.1Very high93.1Very high54 Ų5488.2 Ų88.237%0.36545%0.452SS..EExtended strand (participates in β ladder)trans-134.9157.6-179.6-58.60000110.1L99 E100C86-L99 HydrophobicContact CB-CD1 3.7Å; C86-L99 HydrophobicContact CB-CD2 4.25Å; C86-L99 HydrophobicContact CB-CG 3.88Å; C86-E100 CarbonylContact C-O 3.58Å; C86-E100 WeakPolarHBondContact CA-O 3.47Å; C86-E100 WeakPolarHBondContact CB-O 3.38Å
87V95.6Very high93.1Very high53 Ų5385 Ų8532%0.32144%0.438SS..EExtended strand (participates in β ladder)trans-115.2133.2170.662.80000109F30 I89 E100 L102F30-V87 HydrophobicContact CD1-CG1 4.18Å; F30-V87 HydrophobicContact CG-CG1 4.42Å; V87-I89 HydrophobicContact CG1-CG1 4.5Å; V87-E100 HydrophobicContact CG1-CB 3.86Å; V87-E100 PolarHBondContact N-O 3.43Å; V87-E100 PolarHBondContact O-N 3.05Å; V87-L102 HydrophobicContact CB-CD2 4.39Å; V87-L102 HydrophobicContact CB-CG 4.49Å; V87-L102 HydrophobicContact CG1-CD2 4.31Å
88L95.6Very high93.1Very high87 Ų8786 Ų8646%0.45544%0.443SS..EExtended strand (participates in β ladder)trans-94.4121172.3178.862.5000108.5L16 I90 F97 L99L16-L88 HydrophobicContact CD1-CD1 3.51Å; L88-I90 HydrophobicContact CD2-CD1 4.09Å; L88-I90 HydrophobicContact CD2-CG1 4.32Å; L88-I90 HydrophobicContact CG-CD1 4.32Å; L88-I90 HydrophobicContact CG-CG1 4.03Å; L88-F97 HydrophobicContact CD1-CB 4.44Å; L88-L99 HydrophobicContact CB-CD1 4.33Å
89I94.7Very high93.1Very high73 Ų7383.7 Ų83.737%0.37443%0.43SS..EExtended strand (participates in β ladder)trans-104126.4176.7-56.8174.2000107.6F30 V87 V98 E100F30-I89 HydrophobicContact CE1-CD1 3.78Å; F30-I89 HydrophobicContact CZ-CD1 4.06Å; V87-I89 HydrophobicContact CG1-CG1 4.5Å; I89-V98 PolarHBondContact N-O 2.92Å; I89-V98 PolarHBondContact O-N 2.83Å; I89-E100 HydrophobicContact CD1-CG 3.91Å
90I94.4Very high93.2Very high41 Ų4181.1 Ų81.121%0.2142%0.419CS..EExtended strand (participates in β ladder)trans-118.8111.7-179.2-57175.6000107.1L9 L88 F97L9-I90 HydrophobicContact CD2-CD1 3.31Å; L88-I90 HydrophobicContact CD2-CD1 4.09Å; L88-I90 HydrophobicContact CD2-CG1 4.32Å; L88-I90 HydrophobicContact CG-CD1 4.32Å; L88-I90 HydrophobicContact CG-CG1 4.03Å; I90-F97 HydrophobicContact CB-CE1 4.43Å; I90-F97 HydrophobicContact CD1-CD1 3.91Å; I90-F97 HydrophobicContact CD1-CE1 3.6Å; I90-F97 HydrophobicContact CD1-CZ 4.43Å; I90-F97 HydrophobicContact CG1-CD1 3.7Å; I90-F97 HydrophobicContact CG1-CE1 3.79Å; I90-F97 HydrophobicContact CG1-CG 4.37Å; I90-F97 HydrophobicContact CG1-CZ 4.49Å; I90-F97 HydrophobicContact CG2-CD1 4.27Å; I90-F97 HydrophobicContact CG2-CD2 4.43Å; I90-F97 HydrophobicContact CG2-CE1 3.83Å; I90-F97 HydrophobicContact CG2-CE2 3.97Å; I90-F97 HydrophobicContact CG2-CZ 3.65Å
91N92.8Very high93.3Very high60 Ų6077.6 Ų77.632%0.32141%0.408SS..EExtended strand (participates in β ladder)trans-91.8108.3174.6-174.2-24.2000108.6D93 T94 G95 E96N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.8Å; N91-D93 WeakPolarHBondContact OD1-CB 3.28Å; N91-D93 PolarHBondContact OD1-N 2.76Å; N91-T94 VanDerWaalsContact CB-OG1 3.32Å; N91-T94 WeakPolarHBondContact CB-OG1 3Å; N91-T94 PolarHBondContact ND2-OG1 3.11Å; N91-T94 PolarHBondContact OD1-N 3.05Å; N91-T94 VanDerWaalsContact OD1-N 3.16Å; N91-G95 CarbonylContact O-C 3.41Å; N91-G95 VanDerWaalsContact O-CA 3.23Å; N91-G95 WeakPolarHBondContact O-CA 3.48Å; N91-G95 PolarHBondContact O-N 3.46Å; N91-E96 PolarHBondContact N-O 3.37Å; N91-E96 PolarHBondContact O-N 3.25Å
92H89.6Confident93.4Very high115 Ų11573.7 Ų73.753%0.53238%0.381SS..THydrogen-bonded Turntrans-72.9-22.3179.9-66.8-74.1000113.5L8L8-H92 PolarHBondContact O-CE1 2.78Å
93D91.9Very high93.5Very high161 Ų16173.1 Ų73.186%0.86139%0.385SS*.THydrogen-bonded Turntrans-77.2-37.8178.8-59.1-34.5000111.1N91N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.8Å; N91-D93 WeakPolarHBondContact OD1-CB 3.28Å; N91-D93 PolarHBondContact OD1-N 2.76Å
94T92.3Very high94Very high82 Ų8265.1 Ų65.150%0.50335%0.348SS..THydrogen-bonded Turntrans-99.8-15.2-179.565.60000114N91 E96N91-T94 VanDerWaalsContact CB-OG1 3.32Å; N91-T94 WeakPolarHBondContact CB-OG1 3Å; N91-T94 PolarHBondContact ND2-OG1 3.11Å; N91-T94 PolarHBondContact OD1-N 3.05Å; N91-T94 VanDerWaalsContact OD1-N 3.16Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 WeakPolarHBondContact OG1-CB 3.09Å; T94-E96 WeakPolarHBondContact OG1-CG 3.09Å; T94-E96 PolarHBondContact OG1-N 3.19Å
95G89.1Confident94.4Very high40 Ų4057 Ų5741%0.41231%0.314SS..THydrogen-bonded Turntrans71.917.2-172.400000113.8N91 F97N91-G95 CarbonylContact O-C 3.41Å; N91-G95 VanDerWaalsContact O-CA 3.23Å; N91-G95 WeakPolarHBondContact O-CA 3.48Å; N91-G95 PolarHBondContact O-N 3.46Å; G95-F97 WeakPolarHBondContact O-CD2 3.27Å
96E93.9Very high94.6Very high77 Ų7753.8 Ų53.836%0.3630%0.296SS..EExtended strand (participates in β ladder)trans-89.5135.6-176.4-68.1-172.6131.100113.1K17 N91 T94K17-E96 IonicContact NZ-OE1 2.64Å; K17-E96 PolarHBondContact NZ-OE1 3.01Å; N91-E96 PolarHBondContact N-O 3.37Å; N91-E96 PolarHBondContact O-N 3.25Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 WeakPolarHBondContact OG1-CB 3.09Å; T94-E96 WeakPolarHBondContact OG1-CG 3.09Å; T94-E96 PolarHBondContact OG1-N 3.19Å
97F96.1Very high94.6Very high31 Ų3155.1 Ų55.114%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-114.2108.8177.6-71.8-116.1000108.3H14 L16 K17 L88 I90 G95H14-F97 HydrophobicContact CB-CB 4.49Å; H14-F97 HydrophobicContact CB-CD1 4.1Å; H14-F97 HydrophobicContact CB-CD2 3.49Å; H14-F97 VanDerWaalsContact CB-CD2 3.49Å; H14-F97 HydrophobicContact CB-CE1 4.17Å; H14-F97 HydrophobicContact CB-CE2 3.6Å; H14-F97 HydrophobicContact CB-CG 3.78Å; H14-F97 HydrophobicContact CB-CZ 3.94Å; H14-F97 AromaticContact CD2-CE2 3.66Å; H14-F97 AromaticContact CD2-CZ 3.43Å; H14-F97 VanDerWaalsContact CD2-CZ 3.43Å; H14-F97 WeakPolarHBondContact CD2-CZ 3.06Å; H14-F97 AromaticContact CE1-CE2 3.72Å; H14-F97 AromaticContact CG-CD2 3.64Å; H14-F97 AromaticContact CG-CE2 3.19Å; H14-F97 AromaticContact CG-CZ 3.46Å; H14-F97 VanDerWaalsContact CG-CZ 3.46Å; H14-F97 AromaticContact ND1-CD2 3.83Å; H14-F97 AromaticContact ND1-CE2 3.26Å; H14-F97 VanDerWaalsContact ND1-CE2 3.26Å; H14-F97 WeakPolarHBondContact ND1-CE2 3.25Å; H14-F97 AromaticContact ND1-CZ 3.89Å; H14-F97 AromaticContact NE2-CE2 3.93Å; H14-F97 AromaticContact NE2-CZ 3.8Å; L16-F97 HydrophobicContact CD1-CB 4.39Å; K17-F97 PolarHBondContact N-O 3Å; L88-F97 HydrophobicContact CD1-CB 4.44Å; I90-F97 HydrophobicContact CB-CE1 4.43Å; I90-F97 HydrophobicContact CD1-CD1 3.91Å; I90-F97 HydrophobicContact CD1-CE1 3.6Å; I90-F97 HydrophobicContact CD1-CZ 4.43Å; I90-F97 HydrophobicContact CG1-CD1 3.7Å; I90-F97 HydrophobicContact CG1-CE1 3.79Å; I90-F97 HydrophobicContact CG1-CG 4.37Å; I90-F97 HydrophobicContact CG1-CZ 4.49Å; I90-F97 HydrophobicContact CG2-CD1 4.27Å; I90-F97 HydrophobicContact CG2-CD2 4.43Å; I90-F97 HydrophobicContact CG2-CE1 3.83Å; I90-F97 HydrophobicContact CG2-CE2 3.97Å; I90-F97 HydrophobicContact CG2-CZ 3.65Å; G95-F97 WeakPolarHBondContact O-CD2 3.27Å
98V96.6Very high94.7Very high31 Ų3152.8 Ų52.819%0.18828%0.283CS..EExtended strand (participates in β ladder)trans-118.1123.4-175-174.60000109.9K17 I89 E100K17-V98 HydrophobicContact CB-CG2 4.39Å; K17-V98 CarbonylContact O-C 3.49Å; K17-V98 WeakPolarHBondContact O-CA 3.33Å; I89-V98 PolarHBondContact N-O 2.92Å; I89-V98 PolarHBondContact O-N 2.83Å; V98-E100 HydrophobicContact CG1-CG 4.21Å
99L96.9Very high94.7Very high41 Ų4155.7 Ų55.722%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-90127.6170.4-164.769.7000109.5L16 K17 L18 G19 F22 C86 L88L16-L99 HydrophobicContact CD1-CB 4.06Å; L16-L99 HydrophobicContact CD2-CB 4.4Å; L16-L99 HydrophobicContact CD2-CD2 4.4Å; L16-L99 HydrophobicContact CG-CB 4.35Å; K17-L99 PolarHBondContact O-N 3.09Å; L18-L99 HydrophobicContact CD2-CB 4.15Å; L18-L99 HydrophobicContact CD2-CD2 4.12Å; G19-L99 PolarHBondContact N-O 3.4Å; F22-L99 HydrophobicContact CE2-CB 4.4Å; F22-L99 HydrophobicContact CE2-CD2 4.43Å; F22-L99 HydrophobicContact CE2-CG 4.23Å; F22-L99 WeakPolarHBondContact CE2-O 3.3Å; F22-L99 HydrophobicContact CZ-CD2 4.09Å; F22-L99 HydrophobicContact CZ-CG 4.29Å; C86-L99 HydrophobicContact CB-CD1 3.7Å; C86-L99 HydrophobicContact CB-CD2 4.25Å; C86-L99 HydrophobicContact CB-CG 3.88Å; L88-L99 HydrophobicContact CB-CD1 4.33Å
100E97.1Very high94.7Very high17 Ų1756.6 Ų56.68%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-121.1139.6175-66.8-77.1-169.400110.3G19 E20 S21 F30 C86 V87 I89 V98G19-E100 WeakPolarHBondContact CA-OE1 3.37Å; E20-E100 PolarHBondContact N-OE1 3.11Å; E20-E100 PolarHBondContact N-OE2 3.1Å; S21-E100 WeakPolarHBondContact CB-OE2 3.22Å; S21-E100 PolarHBondContact N-OE2 3.4Å; S21-E100 WeakPolarHBondContact OG-CA 3.26Å; S21-E100 PolarHBondContact OG-OE2 3.18Å; F30-E100 HydrophobicContact CD2-CB 3.71Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.42Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.61Å; F30-E100 HydrophobicContact CE2-CG 3.46Å; F30-E100 VanDerWaalsContact CE2-CG 3.46Å; F30-E100 HydrophobicContact CG-CB 4.18Å; F30-E100 HydrophobicContact CZ-CB 3.98Å; F30-E100 HydrophobicContact CZ-CG 3.55Å; C86-E100 CarbonylContact C-O 3.58Å; C86-E100 WeakPolarHBondContact CA-O 3.47Å; C86-E100 WeakPolarHBondContact CB-O 3.38Å; V87-E100 HydrophobicContact CG1-CB 3.86Å; V87-E100 PolarHBondContact N-O 3.43Å; V87-E100 PolarHBondContact O-N 3.05Å; I89-E100 HydrophobicContact CD1-CG 3.91Å; V98-E100 HydrophobicContact CG1-CG 4.21Å
101K95.8Very high94.5Very high83 Ų8357.3 Ų57.336%0.36130%0.299SS..EExtended strand (participates in β ladder)trans-75.1128.4175.6-175179.9179.1-177.80110.6S21 F22 S103S21-K101 PolarHBondContact OG-N 2.95Å; F22-K101 HydrophobicContact CE1-CB 4.37Å; F22-K101 HydrophobicContact CE2-CB 4.16Å; F22-K101 HydrophobicContact CZ-CB 4.06Å; K101-S103 PolarHBondContact O-N 2.99Å
102L96.4Very high94.2Very high21 Ų2165.3 Ų65.311%0.1133%0.325CS..EExtended strand (participates in β ladder)trans-74127.7168-69.9172.2000109.3F30 T32 Y82 D85 V87F30-L102 HydrophobicContact CB-CD2 3.88Å; T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.92Å; T32-L102 HydrophobicContact CG2-CG 4.5Å; Y82-L102 VanDerWaalsContact CB-O 3.26Å; Y82-L102 WeakPolarHBondContact CB-O 3.49Å; Y82-L102 HydrophobicContact CD2-CB 3.55Å; Y82-L102 HydrophobicContact CD2-CD1 4.49Å; Y82-L102 HydrophobicContact CE2-CB 4.06Å; Y82-L102 HydrophobicContact CE2-CD1 4.22Å; Y82-L102 HydrophobicContact CG-CB 4.12Å; D85-L102 HydrophobicContact CB-CB 4.2Å; D85-L102 HydrophobicContact CB-CD1 3.96Å; D85-L102 WeakPolarHBondContact O-CB 3.35Å; D85-L102 PolarHBondContact O-N 3.29Å; V87-L102 HydrophobicContact CB-CD2 4.39Å; V87-L102 HydrophobicContact CB-CG 4.49Å; V87-L102 HydrophobicContact CG1-CD2 4.31Å
103S93.9Very high93.2Very high40 Ų4063.5 Ų63.528%0.2833%0.33SS..EExtended strand (participates in β ladder)trans-92.6-36.7-177.5-64.90000112.2S29 F30 P81 Y82 K101S29-S103 WeakPolarHBondContact OG-CB 2.93Å; S29-S103 PolarHBondContact OG-OG 2.8Å; F30-S103 PolarHBondContact O-N 3.28Å; P81-S103 WeakPolarHBondContact CA-O 3.44Å; Y82-S103 PolarHBondContact N-O 3.05Å; K101-S103 PolarHBondContact O-N 2.99Å
104S95.2Very high91.3Very high0 Ų065.3 Ų65.30%033%0.334CS..EExtended strand (participates in β ladder)trans-156.4155.5176.662.10000115.7H31 T32 K79 R80 Y82H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.26Å; H31-S104 PolarHBondContact ND1-OG 3.42Å; T32-S104 PolarHBondContact N-O 2.85Å; K79-S104 VanDerWaalsContact CE-OG 3.24Å; K79-S104 WeakPolarHBondContact CE-OG 3.47Å; K79-S104 VanDerWaalsContact CG-OG 3.3Å; K79-S104 WeakPolarHBondContact CG-OG 3.32Å; R80-S104 CarbonylContact O-C 3.58Å; R80-S104 WeakPolarHBondContact O-CA 3.45Å; R80-S104 WeakPolarHBondContact O-CB 3.45Å; Y82-S104 WeakPolarHBondContact CE2-O 3.49Å
105S95.6Very high89.5Confident12 Ų1263.5 Ų63.58%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-102.9134.7169.9-156.80000110.7T32 K79 R80 Y82T32-S105 WeakPolarHBondContact OG1-CA 3.41Å; T32-S105 PolarHBondContact OG1-OG 2.81Å; T32-S105 VanDerWaalsContact OG1-OG 3.12Å; K79-S105 CarbonylContact C-O 3.55Å; R80-S105 PolarHBondContact N-O 3.29Å; R80-S105 PolarHBondContact O-N 3.13Å; Y82-S105 VanDerWaalsContact CE2-N 3.35Å; Y82-S105 VanDerWaalsContact CZ-CB 3.4Å; Y82-S105 WeakPolarHBondContact OH-CB 3.37Å; Y82-S105 PolarHBondContact OH-OG 2.99Å
106I96.9Very high87.6Confident10 Ų1067.1 Ų67.15%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-122.9115.8178.3-55.2163.2000106.4H31 T32 I33 R34 V58 K79 V108H31-I106 HydrophobicContact CB-CD1 4.25Å; T32-I106 PolarHBondContact O-N 2.84Å; I33-I106 CarbonylContact C-O 3.55Å; I33-I106 WeakPolarHBondContact CA-O 3.32Å; I33-I106 HydrophobicContact CG1-CB 4.17Å; I33-I106 HydrophobicContact CG1-CD1 3.97Å; R34-I106 PolarHBondContact N-O 2.81Å; V58-I106 HydrophobicContact CB-CG2 3.93Å; V58-I106 HydrophobicContact CG1-CG2 4.06Å; V58-I106 HydrophobicContact CG2-CD1 4.24Å; V58-I106 HydrophobicContact CG2-CG1 4.44Å; V58-I106 HydrophobicContact CG2-CG2 4.1Å; K79-I106 HydrophobicContact CB-CG1 4.31Å; K79-I106 HydrophobicContact CG-CG1 4.46Å; I106-V108 HydrophobicContact CG2-CG1 3.62Å
107Q96.7Very high85.5Confident83 Ų8367.6 Ų67.639%0.38836%0.362SS..EExtended strand (participates in β ladder)trans-106.1114.5175.7-58.8-179.318.400107.4R34 G77R34-Q107 VanDerWaalsContact NH2-OE1 3.12Å; G77-Q107 VanDerWaalsContact CA-O 3.22Å; G77-Q107 WeakPolarHBondContact CA-O 3.39Å
108V96.7Very high83.4Confident3 Ų375.4 Ų75.42%0.01840%0.396CS..EExtended strand (participates in β ladder)trans-110.8143.5-175.9-55.20000110.6I33 R34 Y35 D36 I60 F75 K76 I106I33-V108 HydrophobicContact CG2-CG1 4.36Å; I33-V108 HydrophobicContact CG2-CG2 4.23Å; R34-V108 PolarHBondContact O-N 2.85Å; Y35-V108 HydrophobicContact CD1-CG2 3.44Å; Y35-V108 VanDerWaalsContact CD1-CG2 3.44Å; Y35-V108 HydrophobicContact CE1-CG2 3.78Å; Y35-V108 HydrophobicContact CG-CG2 4.01Å; D36-V108 PolarHBondContact N-O 2.87Å; I60-V108 HydrophobicContact CD1-CG1 3.94Å; I60-V108 HydrophobicContact CD1-CG2 4.34Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å; F75-V108 HydrophobicContact CB-CB 3.77Å; F75-V108 HydrophobicContact CB-CG2 3.65Å; F75-V108 HydrophobicContact CD1-CG2 4.09Å; F75-V108 HydrophobicContact CG-CG2 4.08Å; K76-V108 CarbonylContact O-C 3.55Å; K76-V108 WeakPolarHBondContact O-CA 3.28Å; I106-V108 HydrophobicContact CG2-CG1 3.62Å
109K96Very high81.4Confident148 Ų14880.1 Ų80.164%0.64342%0.418SS*.EExtended strand (participates in β ladder)trans-116.5143.7176-67.5-173.2177179.70111D36 F75 K76 T111D36-K109 WeakPolarHBondContact OD2-CA 3.39Å; D36-K109 WeakPolarHBondContact OD2-CB 3.47Å; F75-K109 CarbonylContact C-O 3.57Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.48Å; K76-K109 PolarHBondContact N-O 3.36Å; K76-K109 PolarHBondContact O-N 2.8Å; K109-T111 PolarHBondContact O-N 3.32Å
110K94Very high79.2Confident92 Ų9284.1 Ų84.140%0.444%0.436SS..EExtended strand (participates in β ladder)trans-60.6123.5174.3-177.1176.7-178.9-170.90110.2D36 F37 T73 F75D36-K110 PolarHBondContact OD1-N 3.24Å; D36-K110 VanDerWaalsContact OD1-N 3.13Å; D36-K110 PolarHBondContact OD2-N 2.84Å; F37-K110 HydrophobicContact CD1-CD 3.96Å; F37-K110 HydrophobicContact CE1-CD 4.33Å; T73-K110 HydrophobicContact CG2-CD 3.98Å; T73-K110 HydrophobicContact CG2-CG 3.75Å; F75-K110 HydrophobicContact CD1-CB 4.09Å; F75-K110 HydrophobicContact CE1-CB 3.85Å
111T92Very high77Confident56 Ų5686.3 Ų86.334%0.34446%0.457SS..PPolyproline II helixtrans-79.4133.7170.2-53.60000108.3V74 K109V74-T111 WeakPolarHBondContact O-CB 3.26Å; V74-T111 PolarHBondContact O-N 2.84Å; V74-T111 PolarHBondContact O-OG1 3.42Å; K109-T111 PolarHBondContact O-N 3.32Å
112R85Confident75Confident228 Ų22891.8 Ų91.886%0.8648%0.476SS*.PPolyproline II helixtrans-72.1137.8171.6-66.7-178.7-179.3-178.9-0.3107.9E114R112-E114 PolarHBondContact O-N 2.82Å
113A69.6Low73.1Confident78 Ų7896.4 Ų96.465%0.64550%0.5SS*.  trans-61.2111.2166.100000107.2G115A113-G115 PolarHBondContact O-N 3.2Å
114E52.5Low71.2Confident199 Ų199101.6 Ų101.693%0.9352%0.519SS*.THydrogen-bonded Turntrans-51.3122.8167-79.9-90.5143.400107.7R112R112-E114 PolarHBondContact O-N 2.82Å
115G53.8Low69.2Low44 Ų44108.7 Ų108.745%0.45455%0.552SS.*THydrogen-bonded Turntrans130.3-1.1175.500000118.1A113 S117A113-G115 PolarHBondContact O-N 3.2Å; G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 2.9Å
116S49.8Very low67Low116 Ų116116 Ų11681%0.81159%0.585SS**  trans-81.2-0.7176.51250000114.7
117S49.5Very low64.7Low86 Ų86119.5 Ų119.560%0.60161%0.61SS**SBendtrans-75.3125.8172.7-66.40000109.2G115 I119 Q120G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 2.9Å; S117-I119 PolarHBondContact O-N 2.77Å; S117-Q120 PolarHBondContact O-N 2.84Å
118K50.8Low62.3Low196 Ų196120.8 Ų120.885%0.85262%0.624SS**THydrogen-bonded Turntrans-52.20.6178.2-64.6-178177.4179.50115.9
119I55Low60Low129 Ų129131.9 Ų131.966%0.66267%0.665SS**THydrogen-bonded Turntrans-74.4-34-177.6-59.5173.6000110.9S117 R122S117-I119 PolarHBondContact O-N 2.77Å; I119-R122 PolarHBondContact O-N 2.9Å
120Q50Low57.6Low125 Ų125130 Ų13058%0.58467%0.671SS**Hα-helixtrans-79.3-27.1-174.6-153.7157.44.200113.6S117 R122 I123 E124S117-Q120 PolarHBondContact O-N 2.84Å; Q120-R122 PolarHBondContact O-N 2.86Å; Q120-I123 PolarHBondContact O-N 3.35Å; Q120-I123 VanDerWaalsContact O-N 3.16Å; Q120-E124 PolarHBondContact O-N 3.45Å
121A52.1Low55.3Low64 Ų64130.7 Ų130.753%0.52969%0.687SS.*Hα-helixtrans-62.9-23.1174.700000113.4Q125A121-Q125 PolarHBondContact O-N 3.24Å
122R52.5Low53Low197 Ų197136.9 Ų136.974%0.74371%0.712SS**Hα-helixtrans-79.1-31.3175.3-88-165.8177.7-155.11.6113.6I119 Q120 E124 Q126I119-R122 PolarHBondContact O-N 2.9Å; Q120-R122 PolarHBondContact O-N 2.86Å; R122-E124 VanDerWaalsContact C-N 3.35Å; R122-Q126 PolarHBondContact O-N 2.82Å
123I58.2Low50.9Low119 Ų119132 Ų13261%0.6171%0.71SS**Hα-helixtrans-69.9-37.6179.4-70.6161.3000109.9Q120Q120-I123 PolarHBondContact O-N 3.35Å; Q120-I123 VanDerWaalsContact O-N 3.16Å
124E54.3Low49.4Very low148 Ų148134 Ų13469%0.69272%0.719SS**Hα-helixtrans-74.6-33177.8-128.4170.7-171.600113Q120 R122 Q126 S127Q120-E124 PolarHBondContact O-N 3.45Å; R122-E124 VanDerWaalsContact C-N 3.35Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 2.83Å; E124-S127 PolarHBondContact O-N 2.74Å; E124-S127 PolarHBondContact O-OG 2.79Å
125Q52.3Low48.8Very low150 Ų150129.6 Ų129.670%0.70171%0.711SS**Hα-helixtrans-69.9-19.5175.3-88.4-176-1100114.4A121A121-Q125 PolarHBondContact O-N 3.24Å
126Q48.6Very low48.1Very low165 Ų165136.7 Ų136.777%0.77173%0.732SS**Hα-helixtrans-83.8-18174.8-96.3179-27.900113.7R122 E124R122-Q126 PolarHBondContact O-N 2.82Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 2.83Å
127S49.2Very low47.6Very low83 Ų83141 Ų14158%0.5874%0.737SS**Hα-helixtrans-82.8-18.7179.782.40000113.9E124E124-S127 PolarHBondContact O-N 2.74Å; E124-S127 PolarHBondContact O-OG 2.79Å
128V46.5Very low47.3Very low111 Ų111148.3 Ų148.367%0.67375%0.751SS**THydrogen-bonded Turntrans-87.80.6-178.8-84.70000115.2
129R48.3Very low46.6Very low235 Ų235143.7 Ų143.789%0.88775%0.749SS**THydrogen-bonded Turntrans-97.76.9-176.3-132.3-178.8-174.4-163.61.4116.1
130S45.3Very low46.3Very low110 Ų110142.8 Ų142.877%0.76975%0.752SS**SBendtrans-108.419.8-175.155.70000115.8
131S46.3Very low45.6Very low105 Ų105144.1 Ų144.173%0.73477%0.769SS**  trans-12573.2171.754.30000112.7
132Q43.1Very low45.3Very low186 Ų186151 Ų15187%0.86979%0.786SS**  trans-115.4122.4157-95.5-167.9-21.900109.5S134Q132-S134 PolarHBondContact O-N 3.49Å
133P40.7Very low44.9Very low125 Ų125147.5 Ų147.581%0.81279%0.789SS**  trans-77117.7167.129.5-28000108.9S135P133-S135 PolarHBondContact O-N 2.81Å
134S38.5Very low43.7Very low120 Ų120145.6 Ų145.684%0.83980%0.799SS**  trans-73.9107.9173.546.30000110.2Q132Q132-S134 PolarHBondContact O-N 3.49Å
135S39.6Very low42.8Very low107 Ų107145.8 Ų145.875%0.74881%0.811SS**  trans-68.8129.8170.253.40000111.1P133P133-S135 PolarHBondContact O-N 2.81Å
136Q40.4Very low41.8Very low193 Ų193142 Ų14290%0.90281%0.811SS**  trans-61134.2179.9-62.9172.3-18.400112.7
137F39.1Very low41.2Very low207 Ų207141.8 Ų141.891%0.90881%0.814SS**  trans-120.5131.4156.4-98.9-89000109.9
138R41.8Very low40.7Very low240 Ų240147 Ų14791%0.90683%0.827SS**  trans-100.7140.5-170.8178.5-171.7-169-168.85110.6
139A35.8Very low40.1Very low98 Ų98148.6 Ų148.681%0.8184%0.836SS**  trans-164157.5149.400000112
140P48.8Very low39.4Very low111 Ų111143 Ų14372%0.72183%0.833SS**  trans-123.4153-142.238.8-24.9000115.7
141T36.6Very low39.7Very low153 Ų153143.2 Ų143.294%0.93983%0.832SS**  trans-152.6154.6151.840.60000113
142K45.8Very low39Very low207 Ų207143.2 Ų143.290%0.983%0.832SS**  trans-96.5-173.2-153.6-116.5-172.7-179.7176.40113.4
143P43.2Very low38.7Very low124 Ų124143 Ų14381%0.80583%0.831SS**  trans-110.8167.8-130.842.8-31.7000115.6
144G33.4Very low38.4Very low79 Ų79143.7 Ų143.781%0.81483%0.833SS**  trans-149.2119.8166.700000111.6
145T34.8Very low38.7Very low152 Ų152146.4 Ų146.493%0.93383%0.83SS**  trans-75.6144.8-177.836.60000114.1
146G32.8Very low38.6Very low70 Ų70147.4 Ų147.472%0.72283%0.827SS**  trans164.486.1159.500000119
147I34.8Very low39Very low162 Ų162145.6 Ų145.683%0.83182%0.823SS**  trans57.3109.1137.1-49.3175.6000121.5
148K38.8Very low39.4Very low193 Ų193141.2 Ų141.284%0.83982%0.816SS**  trans24.5122.1136-56.6-177.1174.9-173.50120.9
149T33.7Very low39.3Very low143 Ų143134.3 Ų134.388%0.87781%0.805SS**  -161.7147.7120.247.30000110
150S33.4Very low40Very low117 Ų117135.4 Ų135.482%0.81880%0.803SS**  trans-121.6179.5168.5-56.30000107.8
151P53.1Low40.4Very low116 Ų116138.4 Ų138.475%0.75381%0.808SS**  cis-125.5172.9-30.229.8-11.1000111.5
152S29.7Very low41.5Very low105 Ų105135.9 Ų135.973%0.73479%0.794SS**  trans171.4129137.1-79.40000114.2
153Q37.3Very low42.1Very low180 Ų180132.1 Ų132.184%0.84178%0.779SS**  trans55.3126.8140-58-174.510.900121.7
154T35.6Very low43.2Very low140 Ų140132.4 Ų132.486%0.85977%0.774SS**  trans154.597.1142.238.90000106
155K43.2Very low45Very low178 Ų178133.4 Ų133.477%0.77476%0.76SS**  37.312474.5-136.6-164.4170.1-154.20115.6
156D38.1Very low46.8Very low127 Ų127130.6 Ų130.668%0.67974%0.74SS**  trans84.1113.5158.7-62.9-37.4000118.4
157N49.8Very low48.8Very low155 Ų155131.7 Ų131.783%0.82973%0.728SS**  trans-88.6114.5165.517572.8000107.9
158P46Very low50.7Low115 Ų115129.8 Ų129.875%0.74771%0.714SS**  trans-100.9122.5163.127-12.2000110
159S41.1Very low52.9Low96 Ų96129 Ų12967%0.67171%0.705SS**  trans-55.9143.5161-178.40000110.2E161S159-E161 PolarHBondContact O-N 2.85Å
160P50.9Low54.9Low121 Ų121128.4 Ų128.479%0.78669%0.693SS**  trans-75.6111.5172.430.1-28.9000109
161E57.3Low57.1Low174 Ų174128 Ų12881%0.81368%0.68SS**  trans-71.7140.9164.2-88.2-178.2140.200109.7S159 Q163S159-E161 PolarHBondContact O-N 2.85Å; E161-Q163 PolarHBondContact O-N 2.91Å
162P57.9Low58.4Low99 Ų99130.7 Ų130.764%0.64368%0.676SS**  trans-67.4119.9171.728.4-30.3000108.4L164P162-L164 PolarHBondContact O-N 3.24Å
163Q60Low60.7Low128 Ų128127.9 Ų127.960%0.59866%0.659SS**  trans-66.5107.1-178.9-62.3-138.3-96.400109.2E161 D165 D166E161-Q163 PolarHBondContact O-N 2.91Å; Q163-D165 PolarHBondContact O-N 2.82Å; Q163-D166 PolarHBondContact O-N 2.8Å
164L65.6Low62.5Low131 Ų131125.1 Ų125.169%0.68665%0.646SS**Hα-helixtrans-54.4-20.9176.8-62175000112.5P162 K168P162-L164 PolarHBondContact O-N 3.24Å; L164-K168 VanDerWaalsContact O-CB 3.32Å; L164-K168 WeakPolarHBondContact O-CB 3.37Å; L164-K168 PolarHBondContact O-N 2.71Å
165D70.8Confident64.8Low100 Ų100122.7 Ų122.754%0.53563%0.63SS.*Hα-helixtrans-66.5-32.7175-63.6-48.6000113.4Q163 R169Q163-D165 PolarHBondContact O-N 2.82Å; D165-R169 VanDerWaalsContact O-CB 3.28Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 PolarHBondContact O-N 2.94Å
166D73.9Confident66.3Low93 Ų93119.8 Ų119.850%0.49762%0.62SS.*Hα-helixtrans-73.4-43.2177.7-70.7-25.2000110.4Q163 K168 R169 E170Q163-D166 PolarHBondContact O-N 2.8Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.49Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 VanDerWaalsContact O-N 3.16Å; D166-E170 WeakPolarHBondContact O-CB 3.23Å; D166-E170 PolarHBondContact O-N 2.71Å
167I74.3Confident68.3Low92 Ų92117.5 Ų117.547%0.47261%0.61SS.*Hα-helixtrans-62-42.2175.6-62.8169.6000110.5R169 E170 L171I167-R169 VanDerWaalsContact C-N 3.31Å; I167-R169 PolarHBondContact O-N 3.25Å; I167-E170 PolarHBondContact O-N 3.02Å; I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 WeakPolarHBondContact O-CD1 3.41Å; I167-L171 PolarHBondContact O-N 3.39Å
168K74.8Confident69.4Low123 Ų123115.2 Ų115.254%0.53560%0.597SS.*Hα-helixtrans-67-33.3177.5-173.1177-179.9-178.80112.3L164 D166 R172L164-K168 VanDerWaalsContact O-CB 3.32Å; L164-K168 WeakPolarHBondContact O-CB 3.37Å; L164-K168 PolarHBondContact O-N 2.71Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.49Å; K168-R172 WeakPolarHBondContact O-CG 3.16Å; K168-R172 PolarHBondContact O-N 3.43Å
169R83.9Confident70.5Confident177 Ų177116 Ų11667%0.66859%0.591SS**Hα-helixtrans-71.9-42.8176.9-168.3-179.1-57.5-1664.1111.2D165 D166 I167 R172 A173D165-R169 VanDerWaalsContact O-CB 3.28Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 PolarHBondContact O-N 2.94Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 VanDerWaalsContact O-N 3.16Å; I167-R169 VanDerWaalsContact C-N 3.31Å; I167-R169 PolarHBondContact O-N 3.25Å; R169-R172 PolarHBondContact O-N 3.16Å; R169-A173 PolarHBondContact O-N 3.41Å
170E76.2Confident71.6Confident130 Ų130117.9 Ų117.961%0.60759%0.589SS**Hα-helixtrans-60.7-48.2175.3-161.376.6-133.400110.9D166 I167 R172 A173 E174D166-E170 WeakPolarHBondContact O-CB 3.23Å; D166-E170 PolarHBondContact O-N 2.71Å; I167-E170 PolarHBondContact O-N 3.02Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.88Å; E170-A173 PolarHBondContact O-N 3.4Å; E170-A173 VanDerWaalsContact O-N 3.11Å; E170-E174 PolarHBondContact O-N 3.2Å
171L79.9Confident71.9Confident107 Ų107119 Ų11956%0.5659%0.585SS**Hα-helixtrans-60.2-36.3177.7-104.3102.1000112.9I167 V175I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 WeakPolarHBondContact O-CD1 3.41Å; I167-L171 PolarHBondContact O-N 3.39Å; L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.43Å; L171-V175 PolarHBondContact O-N 3.48Å; L171-V175 VanDerWaalsContact O-N 3.13Å
172R79.3Confident72Confident174 Ų174115.1 Ų115.166%0.65758%0.577SS**Hα-helixtrans-69.2-39.8176.3-78.7-173-177.3-169-0.4111.9K168 R169 E170 V175 E176K168-R172 WeakPolarHBondContact O-CG 3.16Å; K168-R172 PolarHBondContact O-N 3.43Å; R169-R172 PolarHBondContact O-N 3.16Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.88Å; R172-V175 PolarHBondContact O-N 3.46Å; R172-E176 PolarHBondContact O-N 3.33Å; R172-E176 VanDerWaalsContact O-N 3.12Å
173A79.6Confident71.7Confident46 Ų46114.9 Ų114.938%0.3858%0.578SS.*Hα-helixtrans-65.4-39.1176.800000111.6R169 E170 E176 V177R169-A173 PolarHBondContact O-N 3.41Å; E170-A173 PolarHBondContact O-N 3.4Å; E170-A173 VanDerWaalsContact O-N 3.11Å; A173-E176 PolarHBondContact O-N 3.13Å; A173-V177 WeakPolarHBondContact O-CG2 3.4Å; A173-V177 PolarHBondContact O-N 3.26Å; A173-V177 VanDerWaalsContact O-N 3.12Å
174E75.4Confident71.2Confident122 Ų122114.4 Ų114.457%0.5759%0.589SS**Hα-helixtrans-66.8-39176-74.9-159.3133.500112.9E170 E176 V177 I178E170-E174 PolarHBondContact O-N 3.2Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.33Å; E174-V177 PolarHBondContact O-N 3.36Å; E174-I178 WeakPolarHBondContact O-CG1 3.3Å; E174-I178 PolarHBondContact O-N 3.4Å; E174-I178 VanDerWaalsContact O-N 3.13Å
175V82Confident70.2Confident88 Ų88111.4 Ų111.453%0.53359%0.589SS.*Hα-helixtrans-62.4-41.6175.3168.40000111.1L171 R172 V177 I178 E179L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.43Å; L171-V175 PolarHBondContact O-N 3.48Å; L171-V175 VanDerWaalsContact O-N 3.13Å; R172-V175 PolarHBondContact O-N 3.46Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-V177 PolarHBondContact O-N 3.02Å; V175-I178 PolarHBondContact O-N 3.3Å; V175-E179 WeakPolarHBondContact O-CB 3.36Å; V175-E179 PolarHBondContact O-N 3.48Å
176E76.6Confident68.9Low118 Ų118111.9 Ų111.955%0.55160%0.6SS**Hα-helixtrans-65.3-36.4178.5-167.8172.6176.200112.2R172 A173 E174 E179 Q180R172-E176 PolarHBondContact O-N 3.33Å; R172-E176 VanDerWaalsContact O-N 3.12Å; A173-E176 PolarHBondContact O-N 3.13Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.33Å; E176-E179 PolarHBondContact O-N 3.44Å; E176-Q180 WeakPolarHBondContact O-CG 3.48Å; E176-Q180 PolarHBondContact O-N 3.31Å
177V78.4Confident67.8Low79 Ų79112.8 Ų112.848%0.47961%0.614SS.*Hα-helixtrans-67.5-37.7175.9169.80000112.1A173 E174 V175 M181A173-V177 WeakPolarHBondContact O-CG2 3.4Å; A173-V177 PolarHBondContact O-N 3.26Å; A173-V177 VanDerWaalsContact O-N 3.12Å; E174-V177 PolarHBondContact O-N 3.36Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-V177 PolarHBondContact O-N 3.02Å; V177-M181 HydrophobicContact CG1-CE 3.65Å; V177-M181 PolarHBondContact O-N 3.43Å
178I73.1Confident66.5Low106 Ų106114 Ų11454%0.54463%0.631SS.*Hα-helixtrans-71.1-36.8177.2-65.1166.1000111E174 V175 M181 S182E174-I178 WeakPolarHBondContact O-CG1 3.3Å; E174-I178 PolarHBondContact O-N 3.4Å; E174-I178 VanDerWaalsContact O-N 3.13Å; V175-I178 PolarHBondContact O-N 3.3Å; I178-M181 PolarHBondContact O-N 3.28Å; I178-S182 PolarHBondContact O-N 3.25Å; I178-S182 PolarHBondContact O-OG 3.06Å
179E70.3Confident65.6Low132 Ų132113.4 Ų113.462%0.61764%0.642SS**Hα-helixtrans-69.2-36.7177.2-166.7171.6-172.200112.2V175 E176 M181 S182 S183V175-E179 WeakPolarHBondContact O-CB 3.36Å; V175-E179 PolarHBondContact O-N 3.48Å; E176-E179 PolarHBondContact O-N 3.44Å; E179-M181 VanDerWaalsContact C-N 3.31Å; E179-M181 PolarHBondContact O-N 3.43Å; E179-S182 PolarHBondContact O-N 3.39Å; E179-S183 PolarHBondContact O-OG 3.27Å
180Q63.5Low63.8Low136 Ų136110.9 Ų110.964%0.63665%0.651SS**Hα-helixtrans-66.1-31.3172.5-76.3-174.67.700113E176 S182E176-Q180 WeakPolarHBondContact O-CG 3.48Å; E176-Q180 PolarHBondContact O-N 3.31Å; Q180-S182 PolarHBondContact O-N 3Å
181M58.2Low63Low144 Ų144112.2 Ų112.271%0.70966%0.663SS**THydrogen-bonded Turntrans-76.6-9.6172.4-73.6-167.6-94.600113.7V177 I178 E179V177-M181 HydrophobicContact CG1-CE 3.65Å; V177-M181 PolarHBondContact O-N 3.43Å; I178-M181 PolarHBondContact O-N 3.28Å; E179-M181 VanDerWaalsContact C-N 3.31Å; E179-M181 PolarHBondContact O-N 3.43Å
182S58.6Low61.3Low92 Ų92113.3 Ų113.364%0.64368%0.679SS**THydrogen-bonded Turntrans-101-2.2-177.5-57.90000114I178 E179 Q180I178-S182 PolarHBondContact O-N 3.25Å; I178-S182 PolarHBondContact O-OG 3.06Å; E179-S182 PolarHBondContact O-N 3.39Å; Q180-S182 PolarHBondContact O-N 3Å
183S50.5Low60Low94 Ų94109.3 Ų109.366%0.65768%0.684SS**  trans-113.359-176.848.70000113.7E179E179-S183 PolarHBondContact O-OG 3.27Å
184S49.8Very low58.3Low119 Ų119112.9 Ų112.983%0.83271%0.706SS**  trans-130.382.9151.862.40000109.2
185G45.5Very low56.9Low67 Ų67111.5 Ų111.569%0.69172%0.716SS**SBendtrans177.680.7179.200000113.9
186S42.4Very low55.4Low110 Ų110113.6 Ų113.677%0.76973%0.734SS**  trans28.7113.5148.856.70000121.5
187S50.8Low53.8Low112 Ų112111.6 Ų111.678%0.78375%0.745SS**  38.3121.7128.8630000121.3
188S47.3Very low52.4Low119 Ų119114 Ų11483%0.83277%0.765SS**  174.8131.210654.40000111.4
189S56.9Low51Low110 Ų110112.1 Ų112.177%0.76977%0.773SS**  trans-67.1146172.646.60000112.9
190S45.4Very low50.2Low123 Ų123112.7 Ų112.786%0.8678%0.78SS**  trans-169.9118.3136.8-760000110.7
191D58.8Low49.3Very low159 Ų159112.2 Ų112.285%0.8578%0.781SS**  trans-68.5146.6164.4-63.4-64.2000111.2
192S46.1Very low48.8Very low129 Ų129110.6 Ų110.690%0.90279%0.785SS**  trans-160.5120.3148.7-76.30000110.6
193A50.3Low48.4Very low91 Ų91111.4 Ų111.475%0.75279%0.79SS**  trans-87.6177.3174.400000112
194S45.5Very low48.2Very low121 Ų121112.6 Ų112.685%0.84680%0.798SS**  trans88.3145.4165-26.40000114.9
195A44.6Very low48Very low93 Ų93112.3 Ų112.377%0.76980%0.797SS**  cis-167.1156.5-11.500000107.1
196S50.8Low47.9Very low131 Ų131116.9 Ų116.992%0.91681%0.805SS**  trans-60.2140.2169.5-440000111.8
197G43.7Very low47.8Very low77 Ų77115.5 Ų115.579%0.79481%0.808SS**  trans-151.2113.4173.500000111.3
198S48.7Very low47.6Very low128 Ų128118.6 Ų118.690%0.89581%0.81SS**  trans-74.1154.8172.645.60000112.6
199G43.9Very low47.2Very low68 Ų68119.8 Ų119.870%0.70181%0.808SS**  trans167.5101.6166.400000112.8
200D52.1Low46.2Very low144 Ų144122.2 Ų122.277%0.7781%0.812SS**  trans-47.7169.3147.358.5-46.7000111.3
201D45.6Very low45.8Very low125 Ų125120.2 Ų120.267%0.66880%0.803SS**  cis-176.716728.449.9-60.8000109.3
202S47.9Very low45.6Very low111 Ų111118 Ų11878%0.77680%0.797SS**  trans92.3142.5146.3-61.10000123
203S50.8Low45.1Very low109 Ų109122.9 Ų122.976%0.76280%0.796SS**  trans-106.7-178.7-156.6-58.90000115.1
204S46.2Very low45.1Very low118 Ų118123.5 Ų123.583%0.82579%0.792SS**  trans74.4146.7151.442.10000117.4
205S45.3Very low44.3Very low114 Ų114125.5 Ų125.580%0.79779%0.792SS**  cis-164.1164.527.635.40000112.3
206D42.8Very low43.9Very low163 Ų163126 Ų12687%0.87279%0.79SS**  trans-54.9157.2172.6-59.1-66.1000116.2
207G40.7Very low43.1Very low81 Ų81128 Ų12884%0.83579%0.785SS**  trans-160.4103.2166.700000111
208E46.9Very low42.6Very low177 Ų177130.8 Ų130.883%0.82779%0.786SS**  trans-86.9163.1175.6-56-174.8111.700112.1
209N37.6Very low41.9Very low144 Ų144130.1 Ų130.177%0.7778%0.782SS**  trans102.4119.6150.1-70.9-25.2000121.9
210D35.7Very low42Very low160 Ų160133.1 Ų133.186%0.85679%0.789SS**  trans99.6136130.2-111.4-44.6000121.2
211A38.5Very low41.2Very low81 Ų81131.8 Ų131.867%0.66979%0.791SS**  trans-104.3-154.8-164.200000111.6
212P52.9Low40.6Very low113 Ų113137.9 Ų137.973%0.73481%0.805SS**  -125.1174.2-8837-21.5000113.5
213R37.1Very low40Very low232 Ų232140.7 Ų140.788%0.87581%0.81SS**  trans151.8168.3145.5-87.5175.1-174.7-101.31.1112.9
214P49.1Very low39.9Very low103 Ų103141 Ų14167%0.66981%0.81SS**  -134.1-153.7-76.337.1-13.1000111.1
215L30.1Very low39.3Very low164 Ų164142.7 Ų142.786%0.85981%0.814SS**  trans102.2133.7174.2-55.3164.3000112.4
216S35.7Very low38.8Very low102 Ų102141.2 Ų141.271%0.71381%0.809SS**  cis-172.6147.96.234.30000109.2
217Q34Very low38.5Very low175 Ų175141.5 Ų141.582%0.81881%0.81SS**  trans10.6134.4148.6-63.5167.30.800118
218T33.3Very low38Very low134 Ų134141.6 Ų141.682%0.82281%0.812SS**  -174.8148.883.6400000111.7
219S33.7Very low37.2Very low114 Ų114136.6 Ų136.680%0.79781%0.807SS**  trans-119.1159.2155.5-48.80000107
220P45.2Very low37.2Very low131 Ų131136 Ų13685%0.85181%0.809SS**  -155.4177.484.637.2-14.8000117.1
221S36.2Very low37.3Very low116 Ų116135.2 Ų135.281%0.81181%0.805SS**  trans-69.7161.1-172.6-38.50000118.6
222R33Very low37.3Very low254 Ų254142.9 Ų142.996%0.95882%0.816SS**  trans-168.4147.6136.1-108.6177-174.8-114.31.5113.8
223L34.4Very low36.9Very low169 Ų169145.7 Ų145.789%0.88582%0.819SS**  trans-91.7-160.2-172.5-59.6161.9000113.5
224P50.6Low37.6Very low117 Ų117144 Ų14476%0.7682%0.822SS**  -114.7175-115.931.3-7.3000114.1
225V33.6Very low37.6Very low152 Ų152141.7 Ų141.792%0.92182%0.817SS**  trans-137.6138.8168173.70000110.9
226A34.8Very low38.8Very low83 Ų83139.1 Ų139.169%0.68680%0.804SS**  trans-100.9168.5-176.500000113.4
227N35.1Very low39.8Very low169 Ų169139.4 Ų139.490%0.90480%0.797SS**  trans86.8114157.5-81.52.6000121.6
228G30.7Very low41.2Very low84 Ų84138.8 Ų138.887%0.86679%0.794SS**  113.3125.9109.600000117.8
229G30.1Very low42.8Very low71 Ų71138 Ų13873%0.73279%0.785SS**  trans130.586.5146.500000119.2
230V37.8Very low44.3Very low132 Ų132138.1 Ų138.180%0.877%0.774SS**  trans29.4135.1134.8-102.30000123.8
231D36.9Very low45.2Very low143 Ų143135.6 Ų135.677%0.76575%0.753SS**  trans76.5109.4142.4-70.1-49.4000122.7
232R39.3Very low46.8Very low243 Ų243134.4 Ų134.492%0.91774%0.741SS**  17688122.3-94.3167.499.6-175.55.8111.2
233Q43.6Very low48.6Very low171 Ų171126.7 Ų126.780%0.79972%0.718SS**  trans-11494.1160.9-92.3-176.1-8.600109
234Q52.4Low50.3Low197 Ų197127 Ų12792%0.92171%0.708SS**  trans-12887.5173.8-145.2172.531.200106.9
235G49.9Very low51Low55 Ų55127.8 Ų127.857%0.56771%0.706SS**SBendtrans178.6-31.6179.700000114.8
236N54.1Low52.6Low110 Ų110127.2 Ų127.259%0.58870%0.697SS**SBendtrans-95.9-10-170.9-73.810.4000115.4Q238N236-Q238 PolarHBondContact O-N 3.3Å
237N56.7Low54.3Low108 Ų108128.3 Ų128.358%0.57869%0.691SS**Hα-helixtrans-77-21-174.3-68.7-40000113.9N241N237-N241 WeakPolarHBondContact O-CB 3.33Å; N237-N241 PolarHBondContact O-N 3.24Å; N237-N241 PolarHBondContact O-ND2 2.94Å; N237-N241 VanDerWaalsContact O-ND2 3.12Å
238Q63.9Low55.5Low161 Ų161128.8 Ų128.875%0.75269%0.688SS**Hα-helixtrans-72.4-39.4178.2-71.7-176.51.500111.9N236 N241 T242N236-Q238 PolarHBondContact O-N 3.3Å; Q238-N241 PolarHBondContact O-N 3.13Å; Q238-T242 PolarHBondContact O-N 3.38Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 3.43Å; Q238-T242 VanDerWaalsContact O-OG1 3.11Å
239L66.9Low56.4Low118 Ų118131 Ų13162%0.61868%0.679SS**Hα-helixtrans-65.7-41.9179.1-67.3168.4000111.7N241 T242 L243L239-N241 VanDerWaalsContact C-N 3.32Å; L239-N241 PolarHBondContact O-N 3.11Å; L239-T242 PolarHBondContact O-N 3.12Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.38Å; L239-L243 PolarHBondContact O-N 3.12Å; L239-L243 VanDerWaalsContact O-N 3.09Å
240M65.1Low57.3Low117 Ų117132.2 Ų132.258%0.57668%0.676SS**Hα-helixtrans-68.7-31.5179.5-66-64.3-89.300112.5L243 R244M240-L243 HydrophobicContact SD-CD1 4.37Å; M240-R244 WeakPolarHBondContact O-CG 3.49Å; M240-R244 PolarHBondContact O-N 2.99Å
241N65.1Low58.3Low78 Ų78135.1 Ų135.142%0.41768%0.681SS.*Hα-helixtrans-74.3-37.3176.5-70-17.7000112.2N237 Q238 L239 R244 N245N237-N241 WeakPolarHBondContact O-CB 3.33Å; N237-N241 PolarHBondContact O-N 3.24Å; N237-N241 PolarHBondContact O-ND2 2.94Å; N237-N241 VanDerWaalsContact O-ND2 3.12Å; Q238-N241 PolarHBondContact O-N 3.13Å; L239-N241 VanDerWaalsContact C-N 3.32Å; L239-N241 PolarHBondContact O-N 3.11Å; N241-R244 PolarHBondContact O-N 3.45Å; N241-N245 PolarHBondContact O-N 3.47Å; N241-N245 PolarHBondContact O-ND2 3.42Å
242T70Confident58.7Low90 Ų90133.5 Ų133.555%0.55268%0.681SS**Hα-helixtrans-63-44.9172.8-54.30000110.8Q238 L239 R244 N245 D246Q238-T242 PolarHBondContact O-N 3.38Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 3.43Å; Q238-T242 VanDerWaalsContact O-OG1 3.11Å; L239-T242 PolarHBondContact O-N 3.12Å; T242-R244 PolarHBondContact O-N 2.99Å; T242-N245 PolarHBondContact O-N 2.89Å; T242-D246 PolarHBondContact O-N 3.02Å
243L70.5Confident59.4Low92 Ų92125.1 Ų125.148%0.48267%0.671SS.*Hα-helixtrans-62.7-39.6177.6-68.5166.7000112.4L239 M240 N245 D246 L247L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.38Å; L239-L243 PolarHBondContact O-N 3.12Å; L239-L243 VanDerWaalsContact O-N 3.09Å; M240-L243 HydrophobicContact SD-CD1 4.37Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 3.16Å; L243-D246 PolarHBondContact O-N 3.06Å; L243-L247 HydrophobicContact CB-CD1 4.47Å; L243-L247 WeakPolarHBondContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CD1 3.45Å; L243-L247 PolarHBondContact O-N 3.24Å; L243-L247 VanDerWaalsContact O-N 3.11Å
244R69.1Low60Low177 Ų177122.7 Ų122.767%0.66867%0.673SS**Hα-helixtrans-61.5-39.7175.3-86.4-178.9174.9153-4.2113.3M240 N241 T242M240-R244 WeakPolarHBondContact O-CG 3.49Å; M240-R244 PolarHBondContact O-N 2.99Å; N241-R244 PolarHBondContact O-N 3.45Å; T242-R244 PolarHBondContact O-N 2.99Å
245N66.3Low60.3Low133 Ų133121 Ų12171%0.71167%0.67SS**Hα-helixtrans-71.9-37.6177.9-71.7-47.1000112.2N241 T242 L243N241-N245 PolarHBondContact O-N 3.47Å; N241-N245 PolarHBondContact O-ND2 3.42Å; T242-N245 PolarHBondContact O-N 2.89Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 3.16Å
246D66.5Low61.1Low139 Ų139122.2 Ų122.274%0.74367%0.67SS**Hα-helixtrans-72.1-31.5-177.5-128.628.3000112.8T242 L243T242-D246 PolarHBondContact O-N 3.02Å; L243-D246 PolarHBondContact O-N 3.06Å
247L70.3Confident61.3Low107 Ų107124 Ų12456%0.5668%0.679SS**THydrogen-bonded Turntrans-91.61.5-176.1-80.1142.5000114.5L243 L249L243-L247 HydrophobicContact CB-CD1 4.47Å; L243-L247 WeakPolarHBondContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CD1 3.45Å; L243-L247 PolarHBondContact O-N 3.24Å; L243-L247 VanDerWaalsContact O-N 3.11Å; L247-L249 HydrophobicContact CB-CD1 4.02Å; L247-L249 HydrophobicContact CB-CG 3.83Å; L247-L249 WeakPolarHBondContact O-CG 3.28Å; L247-L249 PolarHBondContact O-N 3.45Å
248Q59.6Low61.5Low178 Ų178125.7 Ų125.783%0.83269%0.688SS**THydrogen-bonded Turntrans41.637.1-178.2-65.9-167.8-19.700114S250Q248-S250 PolarHBondContact O-N 3.24Å
249L51.4Low61Low131 Ų131129.2 Ų129.269%0.68671%0.712SS**  trans-79.392.5-179.1-61.6175.7000107.9L247 E251L247-L249 HydrophobicContact CB-CD1 4.02Å; L247-L249 HydrophobicContact CB-CG 3.83Å; L247-L249 WeakPolarHBondContact O-CG 3.28Å; L247-L249 PolarHBondContact O-N 3.45Å; L249-E251 PolarHBondContact O-N 2.94Å
250S48.4Very low60.7Low96 Ų96129.8 Ų129.867%0.67172%0.717SS**  trans-58.5123.9162.750.80000108.4Q248 S252Q248-S250 PolarHBondContact O-N 3.24Å; S250-S252 VanDerWaalsContact C-N 3.29Å; S250-S252 PolarHBondContact O-N 2.98Å
251E58.3Low60.5Low194 Ų194130.4 Ų130.491%0.90772%0.724SS**  trans-55.888.4165.748.8-164.8117.400110.1L249 G253L249-E251 PolarHBondContact O-N 2.94Å; E251-G253 PolarHBondContact O-N 3Å
252S46.1Very low60.2Low108 Ų108133.3 Ų133.376%0.75574%0.741SS**  trans-85.198.7171.3-73.70000109.2S250S250-S252 VanDerWaalsContact C-N 3.29Å; S250-S252 PolarHBondContact O-N 2.98Å
253G53.9Low59.7Low68 Ų68135.9 Ų135.970%0.70175%0.752SS**  trans8.6116.115400000118E251 D255E251-G253 PolarHBondContact O-N 3Å; G253-D255 PolarHBondContact O-N 3.24Å
254S55Low59Low120 Ų120138.6 Ų138.684%0.83977%0.769SS**  trans-54.3121.3147.4-161.40000108.6
255D59.4Low58.3Low162 Ų162136.1 Ų136.187%0.86678%0.776SS**  trans-117.9119.2166-160.517.2000108G253G253-D255 PolarHBondContact O-N 3.24Å
256S65.8Low57.7Low80 Ų80136.3 Ų136.356%0.55978%0.781SS**  trans-125.3121.3178.345.20000105.9
257D60.2Low57.1Low146 Ų146136.1 Ų136.178%0.78178%0.783SS**  154.8146129.2-75.7-27.4000113.7
258D60.3Low56Low144 Ų144138.5 Ų138.577%0.7780%0.802SS**  trans62.2107155.1-74.1-37.9000121.8
259D53.3Low55.6Low235 Ų235134.9 Ų134.9100%1.25780%0.799SS**  178.5091.6-102.5-46.3000111.3

Retrieved 259 of 259 residues in 468.6 ms (Link to these results)