A0A096MKU4_PAPAN Loading...

ELL associated factor 1

AlphaFold DB (Q5RAM8), UniProt , Accession A0A096MKU4, Species PAPAN (Papio anubis, Olive baboon), Gene EAF1, Length 268 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
1M36.3Very low54.9Low241 Ų241132.7 Ų132.7100%1.18774%0.742SS**  01040-82.2156.9153.600108.3G3M1-G3 PolarHBondContact O-N 3.49Å
2N40.3Very low57.3Low164 Ų164133.7 Ų133.788%0.87774%0.736SS**  trans-67.4121.9-176.7-75.2-9.5000110.3T4N2-T4 PolarHBondContact O-N 3.13Å
3G45.4Very low59.6Low77 Ų77138.8 Ų138.879%0.79475%0.751SS**  trans-63.7105.4171.400000109.7M1 A5M1-G3 PolarHBondContact O-N 3.49Å; G3-A5 PolarHBondContact O-N 3.05Å; G3-A5 VanDerWaalsContact O-N 3.09Å
4T46.1Very low61.6Low130 Ų130133.8 Ų133.880%0.79872%0.721SS**  trans-60.3110.8163.447.40000106.9N2 N6N2-T4 PolarHBondContact O-N 3.13Å; T4-N6 PolarHBondContact O-N 2.88Å; T4-N6 VanDerWaalsContact O-N 3.11Å
5A50.5Low63.4Low90 Ų90132.3 Ų132.374%0.74472%0.723SS**  trans-48.4122169.600000107.7G3 P7G3-A5 PolarHBondContact O-N 3.05Å; G3-A5 VanDerWaalsContact O-N 3.09Å; A5-P7 WeakPolarHBondContact O-CD 3.35Å
6N54.2Low65.3Low116 Ų116128.4 Ų128.462%0.6270%0.7SS**  trans-56.2112.8175.9-105.7-35000107.1T4 L8 L9T4-N6 PolarHBondContact O-N 2.88Å; T4-N6 VanDerWaalsContact O-N 3.11Å; N6-L8 PolarHBondContact O-N 3.45Å; N6-L9 PolarHBondContact O-N 3.38Å
7P53.5Low67Low122 Ų122128.6 Ų128.679%0.79269%0.689SS**THydrogen-bonded Turntrans-64.5-6.7179.226.7-33.2000112.3A5A5-P7 WeakPolarHBondContact O-CD 3.35Å
8L57.8Low68.5Low91 Ų91123.6 Ų123.648%0.47666%0.662SS.*THydrogen-bonded Turntrans-79-18-179.5-109.275.5000115.2N6 H92N6-L8 PolarHBondContact O-N 3.45Å; L8-H92 WeakPolarHBondContact CD2-CE1 3.31Å; L8-H92 WeakPolarHBondContact CD2-NE2 3.42Å; L8-H92 WeakPolarHBondContact CG-CE1 3.32Å
9L66.2Low69.9Low100 Ų100117.7 Ų117.752%0.52463%0.633SS.*SBendtrans-11386173.4-61.3177.8000106.3N6 I90 Y97N6-L9 PolarHBondContact O-N 3.38Å; L9-I90 HydrophobicContact CD2-CD1 3.55Å; L9-Y97 HydrophobicContact CD2-CE1 4.45Å
10D74.2Confident71.1Confident69 Ų69116.1 Ų116.137%0.36962%0.621SS.*  trans-48.6144.8159.251.6-3.4000108.9E12 H14D10-E12 HydrophobicContact CB-CB 4.44Å; D10-E12 HydrophobicContact CB-CG 4.3Å; D10-E12 PolarHBondContact O-N 2.73Å; D10-H14 IonicContact OD1-CD2 3.14Å; D10-H14 IonicContact OD1-CE1 2.79Å; D10-H14 IonicContact OD1-NE2 3.67Å; D10-H14 PolarHBondContact OD1-NE2 3.1Å; D10-H14 IonicContact OD2-CE1 2.65Å; D10-H14 PolarHBondContact OD2-CE1 3.2Å; D10-H14 VanDerWaalsContact OD2-CE1 3.3Å; D10-H14 IonicContact OD2-NE2 3.83Å; D10-H14 PolarHBondContact OD2-NE2 3.25Å; D10-H14 VanDerWaalsContact OD2-NE2 3.14Å
11R79.5Confident72.1Confident260 Ų260111 Ų11198%0.98160%0.595SS**SBendtrans-74.322.2179.3-75.1176.3149.9-173.7-6.6112.2
12E83.9Confident74.8Confident144 Ų144100.5 Ų100.567%0.67354%0.543SS*.SBendtrans-92.3157.8-177-63.3-166.5174.100110.5D10 H14D10-E12 HydrophobicContact CB-CB 4.44Å; D10-E12 HydrophobicContact CB-CG 4.3Å; D10-E12 PolarHBondContact O-N 2.73Å; E12-H14 PolarHBondContact O-CD2 3.09Å
13E86.5Confident77.2Confident200 Ų20097.6 Ų97.694%0.93552%0.524SS*.  trans-84.3124.9176.2-65.6-175.2169.400109.8
14H87.6Confident79.3Confident69 Ų69104 Ų10432%0.31953%0.53SS..  trans-109.7144178.2-67.3-78.7000112D10 E12 L16 Y97D10-H14 IonicContact OD1-CD2 3.14Å; D10-H14 IonicContact OD1-CE1 2.79Å; D10-H14 IonicContact OD1-NE2 3.67Å; D10-H14 PolarHBondContact OD1-NE2 3.1Å; D10-H14 IonicContact OD2-CE1 2.65Å; D10-H14 PolarHBondContact OD2-CE1 3.2Å; D10-H14 VanDerWaalsContact OD2-CE1 3.3Å; D10-H14 IonicContact OD2-NE2 3.83Å; D10-H14 PolarHBondContact OD2-NE2 3.25Å; D10-H14 VanDerWaalsContact OD2-NE2 3.14Å; E12-H14 PolarHBondContact O-CD2 3.09Å; H14-L16 PolarHBondContact O-N 3.18Å; H14-Y97 HydrophobicContact CB-CD1 4.02Å; H14-Y97 HydrophobicContact CB-CD2 3.58Å; H14-Y97 HydrophobicContact CB-CE1 4.07Å; H14-Y97 HydrophobicContact CB-CE2 3.69Å; H14-Y97 HydrophobicContact CB-CG 3.79Å; H14-Y97 AromaticContact CD2-CE1 3.9Å; H14-Y97 AromaticContact CD2-CE2 3.94Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 2.85Å; H14-Y97 AromaticContact CE1-CE2 3.78Å; H14-Y97 AromaticContact CE1-CZ 3.81Å; H14-Y97 PolarHBondContact CE1-OH 2.98Å; H14-Y97 AromaticContact CG-CD2 3.77Å; H14-Y97 AromaticContact CG-CE1 3.88Å; H14-Y97 AromaticContact CG-CE2 3.31Å; H14-Y97 AromaticContact CG-CZ 3.36Å; H14-Y97 AromaticContact ND1-CD2 3.89Å; H14-Y97 AromaticContact ND1-CE2 3.22Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.35Å; H14-Y97 AromaticContact ND1-CZ 3.6Å; H14-Y97 AromaticContact NE2-CZ 3.77Å; H14-Y97 PolarHBondContact NE2-OH 3.31Å
15C89.2Confident81.5Confident112 Ų112107.9 Ų107.976%0.75753%0.53SS*.  trans-72111.6175.1-170.90000110.4
16L93.2Very high83.4Confident69 Ų69106.8 Ų106.836%0.36152%0.515SS..EExtended strand (participates in β ladder)trans-78.8124.8175.9-171.867.9000111.4H14 L88 L99H14-L16 PolarHBondContact O-N 3.18Å; L16-L88 HydrophobicContact CD1-CD1 3.64Å; L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.47Å; L16-L99 HydrophobicContact CD2-CD2 4.41Å; L16-L99 HydrophobicContact CG-CB 4.41Å
17R94.2Very high85.2Confident133 Ų133111.3 Ų111.350%0.50252%0.523SS..EExtended strand (participates in β ladder)trans-103.9139.2173.1-60.1-178.864.8163.81.8109.7E96 Y97 V98 L99R17-E96 IonicContact CZ-OE1 3.3Å; R17-E96 IonicContact NH1-OE1 3.52Å; R17-E96 PolarHBondContact NH1-OE1 3.3Å; R17-Y97 PolarHBondContact N-O 3.43Å; R17-V98 HydrophobicContact CB-CG2 4.38Å; R17-V98 CarbonylContact O-C 3.5Å; R17-V98 WeakPolarHBondContact O-CA 3.31Å; R17-L99 PolarHBondContact O-N 3.46Å
18L94.5Very high87Confident38 Ų38107.1 Ų107.120%0.19950%0.499CS..EExtended strand (participates in β ladder)trans-83130.3164.7-59.4-176000108.6F22 L99 L249 T252 L253L18-F22 HydrophobicContact CB-CB 4.05Å; L18-F22 HydrophobicContact CB-CD2 3.87Å; L18-F22 HydrophobicContact CB-CG 4.05Å; L18-F22 HydrophobicContact CD1-CB 4.2Å; L18-F22 HydrophobicContact CD1-CD1 4.21Å; L18-F22 HydrophobicContact CD1-CG 4.06Å; L18-F22 HydrophobicContact CD2-CD2 4.06Å; L18-F22 HydrophobicContact CD2-CE2 3.98Å; L18-F22 HydrophobicContact CD2-CG 4.36Å; L18-F22 HydrophobicContact CD2-CZ 4.2Å; L18-F22 HydrophobicContact CG-CD2 4.33Å; L18-F22 HydrophobicContact CG-CG 4.36Å; L18-L99 HydrophobicContact CD2-CB 4.11Å; L18-L99 HydrophobicContact CD2-CD2 4.14Å; L18-L249 HydrophobicContact CB-CD1 4.44Å; L18-L249 HydrophobicContact CD1-CD1 4.29Å; L18-L249 HydrophobicContact CD1-CD2 4.35Å; L18-L249 HydrophobicContact CD1-CG 3.68Å; L18-L249 HydrophobicContact CD2-CD2 4.35Å; L18-L249 HydrophobicContact CD2-CG 4.36Å; L18-L249 HydrophobicContact CG-CD1 3.76Å; L18-L249 HydrophobicContact CG-CD2 4.13Å; L18-L249 HydrophobicContact CG-CG 3.61Å; L18-T252 HydrophobicContact CD1-CG2 3.86Å; L18-L253 HydrophobicContact CD1-CD2 4.34Å; L18-L253 HydrophobicContact CD1-CG 4.26Å; L18-L253 HydrophobicContact CD2-CD1 4.36Å; L18-L253 HydrophobicContact CD2-CD2 3.66Å; L18-L253 HydrophobicContact CD2-CG 4.1Å
19G94Very high88.6Confident12 Ų12106.1 Ų106.112%0.12450%0.5CS..  trans-81.4-176.3176.600000113.3S21 F22 L99 E100G19-S21 PolarHBondContact O-N 3.11Å; G19-S21 VanDerWaalsContact O-N 3.15Å; G19-F22 PolarHBondContact O-N 3.4Å; G19-F22 VanDerWaalsContact O-N 3.16Å; G19-L99 PolarHBondContact N-O 3.29Å; G19-E100 VanDerWaalsContact CA-CD 3.46Å; G19-E100 VanDerWaalsContact CA-OE1 3.27Å; G19-E100 WeakPolarHBondContact CA-OE1 3.37Å; G19-E100 WeakPolarHBondContact CA-OE2 3.43Å
20E94Very high90Very high85 Ų85104 Ų10440%0.39749%0.486SS..G310 helixtrans-65.6-21.6-170.2-62-174163.600112.7F22 E23 R27 E100E20-F22 PolarHBondContact O-N 3.38Å; E20-E23 WeakPolarHBondContact O-CB 3.32Å; E20-E23 PolarHBondContact O-N 2.99Å; E20-E23 VanDerWaalsContact O-N 3.11Å; E20-R27 WeakPolarHBondContact OE2-CB 3.42Å; E20-E100 PolarHBondContact N-OE1 3Å; E20-E100 PolarHBondContact N-OE2 3.14Å
21S93.3Very high91Very high8 Ų8104.9 Ų104.96%0.05649%0.488CS..G310 helixtrans-66.3-16.7177.364.30000114.3G19 E100 K101G19-S21 PolarHBondContact O-N 3.11Å; G19-S21 VanDerWaalsContact O-N 3.15Å; S21-E100 WeakPolarHBondContact CB-OE2 3.27Å; S21-E100 PolarHBondContact N-OE2 3.28Å; S21-E100 VanDerWaalsContact OG-CA 3.31Å; S21-E100 WeakPolarHBondContact OG-CA 3.25Å; S21-E100 PolarHBondContact OG-OE2 2.75Å; S21-K101 PolarHBondContact OG-N 3.44Å
22F92.3Very high91.8Very high22 Ų2294.2 Ų94.210%0.09645%0.452CS..G310 helixtrans-90-5.1174.8-74.3-84.3000113.5L18 G19 E20 L99 K101 T252 L253 D256L18-F22 HydrophobicContact CB-CB 4.05Å; L18-F22 HydrophobicContact CB-CD2 3.87Å; L18-F22 HydrophobicContact CB-CG 4.05Å; L18-F22 HydrophobicContact CD1-CB 4.2Å; L18-F22 HydrophobicContact CD1-CD1 4.21Å; L18-F22 HydrophobicContact CD1-CG 4.06Å; L18-F22 HydrophobicContact CD2-CD2 4.06Å; L18-F22 HydrophobicContact CD2-CE2 3.98Å; L18-F22 HydrophobicContact CD2-CG 4.36Å; L18-F22 HydrophobicContact CD2-CZ 4.2Å; L18-F22 HydrophobicContact CG-CD2 4.33Å; L18-F22 HydrophobicContact CG-CG 4.36Å; G19-F22 PolarHBondContact O-N 3.4Å; G19-F22 VanDerWaalsContact O-N 3.16Å; E20-F22 PolarHBondContact O-N 3.38Å; F22-L99 WeakPolarHBondContact CD2-O 3.4Å; F22-L99 HydrophobicContact CE2-CB 4.31Å; F22-L99 HydrophobicContact CE2-CD2 4.34Å; F22-L99 HydrophobicContact CE2-CG 4.13Å; F22-L99 WeakPolarHBondContact CE2-O 3.37Å; F22-L99 HydrophobicContact CZ-CD2 4.04Å; F22-L99 HydrophobicContact CZ-CG 4.25Å; F22-K101 HydrophobicContact CE2-CB 4.35Å; F22-K101 HydrophobicContact CZ-CB 4.29Å; F22-T252 HydrophobicContact CB-CG2 4.1Å; F22-T252 HydrophobicContact CD1-CG2 3.88Å; F22-T252 HydrophobicContact CG-CG2 4.42Å; F22-L253 HydrophobicContact CE1-CD2 3.91Å; F22-L253 HydrophobicContact CZ-CD2 4.12Å; F22-D256 HydrophobicContact CE1-CB 4.36Å
23E91.7Very high92.4Very high103 Ų10390.9 Ų90.948%0.48144%0.438SS..SBendtrans-70157.3177.2-65.5-173177.100111.7E20 R25 P26E20-E23 WeakPolarHBondContact O-CB 3.32Å; E20-E23 PolarHBondContact O-N 2.99Å; E20-E23 VanDerWaalsContact O-N 3.11Å; E23-R25 PolarHBondContact O-N 3.16Å; E23-R25 VanDerWaalsContact O-N 3.08Å; E23-P26 VanDerWaalsContact O-CD 3.26Å; E23-P26 WeakPolarHBondContact O-CD 3.36Å; E23-P26 WeakPolarHBondContact O-CG 3.21Å
24K89.4Confident92.8Very high211 Ų21186.6 Ų86.692%0.91741%0.413SS*.SBendtrans-60-22.6175-65.7-176.5-179.4179.80113
25R91.7Very high93.1Very high211 Ų21188.9 Ų88.980%0.79642%0.42SS*.SBendtrans-135.780.5176.3-64.7-169.8-174.195.4-0.2109E23 R27E23-R25 PolarHBondContact O-N 3.16Å; E23-R25 VanDerWaalsContact O-N 3.08Å; R25-R27 PolarHBondContact O-N 3.2Å
26P91.1Very high93.1Very high68 Ų6889.1 Ų89.144%0.44241%0.414SS..  trans-55.1131.9-178.9-28.538.5000111.9E23E23-P26 VanDerWaalsContact O-CD 3.26Å; E23-P26 WeakPolarHBondContact O-CD 3.36Å; E23-P26 WeakPolarHBondContact O-CG 3.21Å
27R92.2Very high92.9Very high210 Ų21091.6 Ų91.679%0.79242%0.422SS*.SBendtrans-91.3-17.7173.6-60.7179.665.61341.4112.6E20 R25E20-R27 WeakPolarHBondContact OE2-CB 3.42Å; R25-R27 PolarHBondContact O-N 3.2Å
28A91Very high92.6Very high34 Ų3490.4 Ų90.428%0.28142%0.42SS..  trans-125.4159176.700000110.7F30A28-F30 HydrophobicContact CB-CE2 4.22Å
29S91.9Very high92.4Very high70 Ų7089 Ų8949%0.4941%0.413SS..  trans-143135.4174.9-66.40000109.7H31S29-H31 WeakPolarHBondContact CB-NE2 3.36Å
30F95.2Very high92.3Very high55 Ų5593.5 Ų93.524%0.24145%0.45CS..EExtended strand (participates in β ladder)trans-107.4136.1-177.8-63.6-96.9000109.8A28 V87 I89 E100 L102 S103A28-F30 HydrophobicContact CB-CE2 4.22Å; F30-V87 HydrophobicContact CB-CG1 4.48Å; F30-V87 HydrophobicContact CD1-CG1 4.19Å; F30-V87 HydrophobicContact CG-CG1 4.34Å; F30-I89 HydrophobicContact CE1-CD1 3.73Å; F30-I89 HydrophobicContact CZ-CD1 4.02Å; F30-E100 HydrophobicContact CD2-CB 3.66Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.45Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.54Å; F30-E100 HydrophobicContact CE2-CG 3.45Å; F30-E100 VanDerWaalsContact CE2-CG 3.45Å; F30-E100 HydrophobicContact CG-CB 4.2Å; F30-E100 HydrophobicContact CZ-CB 3.96Å; F30-E100 HydrophobicContact CZ-CG 3.53Å; F30-L102 HydrophobicContact CB-CD2 3.93Å; F30-S103 WeakPolarHBondContact O-CB 3.48Å; F30-S103 PolarHBondContact O-N 3.33Å
31H95.2Very high92.2Very high88 Ų8891 Ų9141%0.40744%0.441SS..EExtended strand (participates in β ladder)trans-134.9146.5-174.6-52.1-70.1000109.9S29 S104 I106S29-H31 WeakPolarHBondContact CB-NE2 3.36Å; H31-S104 VanDerWaalsContact CA-O 3.29Å; H31-S104 WeakPolarHBondContact CA-O 3.03Å; H31-S104 PolarHBondContact ND1-OG 2.81Å; H31-I106 HydrophobicContact CB-CD1 4.24Å
32T95.5Very high92.3Very high36 Ų3691.6 Ų91.622%0.22144%0.444CS..EExtended strand (participates in β ladder)trans-102.7139.9169.166.50000109.7Y82 L102 S104 S105 I106T32-Y82 HydrophobicContact CG2-CE2 3.85Å; T32-Y82 WeakPolarHBondContact CG2-OH 3.46Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.47Å; T32-Y82 PolarHBondContact OG1-OH 3.21Å; T32-L102 HydrophobicContact CG2-CD1 4.03Å; T32-L102 HydrophobicContact CG2-CD2 3.95Å; T32-S104 PolarHBondContact N-O 2.84Å; T32-S105 WeakPolarHBondContact OG1-CA 3.47Å; T32-I106 WeakPolarHBondContact O-CB 3.34Å; T32-I106 PolarHBondContact O-N 2.79Å
33I95.8Very high92.4Very high75 Ų7591.7 Ų91.739%0.38545%0.445SS..EExtended strand (participates in β ladder)trans-119.9124.1173.7-63166.7000107.2I60 I106 V108I33-I60 HydrophobicContact CD1-CD1 3.91Å; I33-I60 HydrophobicContact CG1-CD1 4.38Å; I33-I60 HydrophobicContact CG2-CD1 3.5Å; I33-I106 CarbonylContact C-O 3.53Å; I33-I106 WeakPolarHBondContact CA-O 3.42Å; I33-I106 HydrophobicContact CG1-CB 4.16Å; I33-I106 HydrophobicContact CG1-CD1 3.96Å; I33-V108 HydrophobicContact CG2-CG1 4.45Å; I33-V108 HydrophobicContact CG2-CG2 4.26Å
34R95.4Very high92.6Very high110 Ų11091.9 Ų91.942%0.41545%0.454SS..EExtended strand (participates in β ladder)trans-118.6125.4175.4-63-167-63.6-84.1-1.8109.3Y82 S105 I106 Q107 V108R34-Y82 PolarHBondContact NH1-OH 3.25Å; R34-S105 VanDerWaalsContact CZ-OG 3.26Å; R34-S105 PolarHBondContact NH1-OG 3.26Å; R34-S105 PolarHBondContact NH2-OG 2.83Å; R34-I106 PolarHBondContact N-O 3.42Å; R34-Q107 HydrophobicContact CB-CG 4.45Å; R34-Q107 WeakPolarHBondContact O-CA 3.3Å; R34-V108 PolarHBondContact O-N 3.19Å
35Y93.5Very high92.9Very high116 Ų11686.6 Ų86.646%0.45544%0.443SS..EExtended strand (participates in β ladder)trans-113.2151.8167.949.9-98.7000108.8K38Y35-K38 HydrophobicContact CD2-CB 4.32Å; Y35-K38 HydrophobicContact CE2-CB 3.74Å; Y35-K38 HydrophobicContact CE2-CG 4.48Å
36D89.5Confident93Very high117 Ų11779.6 Ų79.663%0.62643%0.426SS*.SBendtrans-86.6-21.4178.153.8-1000113
37F89Confident93.2Very high121 Ų12185.4 Ų85.453%0.53145%0.447SS..  trans-145.1132.9-177.6-179-100.4000111.7P39 F75F37-P39 HydrophobicContact CD1-CG 3.94Å; F37-P39 HydrophobicContact CE1-CB 3.95Å; F37-P39 HydrophobicContact CE1-CG 3.71Å; F37-F75 WeakPolarHBondContact O-CE1 3.34Å; F37-F75 WeakPolarHBondContact O-CZ 3.17Å
38K88.8Confident93.3Very high108 Ų10877.5 Ų77.547%0.4743%0.431SS..  trans-108.9105.2169.9-174-179.1176.61790109.1Y35 A40 I42Y35-K38 HydrophobicContact CD2-CB 4.32Å; Y35-K38 HydrophobicContact CE2-CB 3.74Å; Y35-K38 HydrophobicContact CE2-CG 4.48Å; K38-A40 PolarHBondContact O-N 3.47Å; K38-I42 HydrophobicContact CG-CD1 3.94Å
39P89.6Confident93.6Very high8 Ų881.4 Ų81.45%0.05244%0.443CS..  trans-53.2138.4173.7-21.524.5000112.3F37 S41 I42 T73F37-P39 HydrophobicContact CD1-CG 3.94Å; F37-P39 HydrophobicContact CE1-CB 3.95Å; F37-P39 HydrophobicContact CE1-CG 3.71Å; P39-S41 PolarHBondContact O-N 3.13Å; P39-S41 VanDerWaalsContact O-N 3.17Å; P39-I42 HydrophobicContact CB-CD1 4.45Å; P39-I42 HydrophobicContact CB-CG1 4.25Å; P39-I42 HydrophobicContact CG-CD1 4.11Å; P39-I42 HydrophobicContact CG-CG1 4.32Å; P39-I42 PolarHBondContact O-N 3.19Å; P39-T73 HydrophobicContact CG-CG2 4.22Å
40A91.6Very high93.8Very high108 Ų10882.7 Ų82.789%0.89344%0.444SS*.THydrogen-bonded Turntrans-60.7-24176.700000113.1K38 I42K38-A40 PolarHBondContact O-N 3.47Å; A40-I42 VanDerWaalsContact C-N 3.34Å
41S92.5Very high93.8Very high32 Ų3282.8 Ų82.822%0.22445%0.446CS..THydrogen-bonded Turntrans-81-6.7-179.359.30000114.3P39 D43 H64 I65P39-S41 PolarHBondContact O-N 3.13Å; P39-S41 VanDerWaalsContact O-N 3.17Å; S41-D43 PolarHBondContact O-N 3.35Å; S41-H64 CarbonylContact O-C 3.55Å; S41-H64 WeakPolarHBondContact O-CA 3.41Å; S41-H64 WeakPolarHBondContact O-CB 3.47Å; S41-H64 PolarHBondContact OG-CE1 2.92Å; S41-H64 PolarHBondContact OG-ND1 2.93Å; S41-H64 PolarHBondContact OG-NE2 3.3Å; S41-I65 PolarHBondContact O-N 2.63Å
42I94.5Very high93.8Very high20 Ų2083.8 Ų83.810%0.10346%0.458CS..BIsolated β-bridgetrans-61.6124.7178-73.6174000109.9K38 P39 A40 T44 L62 P63 F75K38-I42 HydrophobicContact CG-CD1 3.94Å; P39-I42 HydrophobicContact CB-CD1 4.45Å; P39-I42 HydrophobicContact CB-CG1 4.25Å; P39-I42 HydrophobicContact CG-CD1 4.11Å; P39-I42 HydrophobicContact CG-CG1 4.32Å; P39-I42 PolarHBondContact O-N 3.19Å; A40-I42 VanDerWaalsContact C-N 3.34Å; I42-T44 HydrophobicContact CG2-CG2 4.42Å; I42-T44 PolarHBondContact O-N 3.15Å; I42-L62 HydrophobicContact CD1-CB 4.29Å; I42-L62 HydrophobicContact CD1-CD1 3.73Å; I42-L62 HydrophobicContact CG1-CB 4.36Å; I42-L62 HydrophobicContact CG2-CB 4.42Å; I42-P63 WeakPolarHBondContact CA-O 3.37Å; I42-F75 HydrophobicContact CD1-CE2 4.35Å
43D96Very high93.7Very high24 Ų2483.9 Ų83.913%0.12847%0.465CS..  trans-80.4105.6172.7-169.6-15.9000109.6S41 S45 C46 P63 I65S41-D43 PolarHBondContact O-N 3.35Å; D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 WeakPolarHBondContact OD1-CA 3.44Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.5Å; D43-S45 PolarHBondContact OD1-N 2.64Å; D43-S45 PolarHBondContact OD1-OG 3.36Å; D43-S45 PolarHBondContact OD2-OG 3.47Å; D43-C46 HydrophobicContact CB-CB 4.3Å; D43-C46 PolarHBondContact OD2-SG 3.03Å; D43-P63 PolarHBondContact N-O 2.92Å; D43-I65 HydrophobicContact CB-CG2 3.98Å
44T94.3Very high93.5Very high108 Ų10889.8 Ų89.866%0.66349%0.488SS*.THydrogen-bonded Turntrans-78.3-6.4178.6560000113.7I42I42-T44 HydrophobicContact CG2-CG2 4.42Å; I42-T44 PolarHBondContact O-N 3.15Å
45S95.6Very high93.4Very high100 Ų10087.6 Ų87.670%0.69950%0.5SS*.THydrogen-bonded Turntrans-86.4-15174.974.70000112.8D43D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 WeakPolarHBondContact OD1-CA 3.44Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.5Å; D43-S45 PolarHBondContact OD1-N 2.64Å; D43-S45 PolarHBondContact OD1-OG 3.36Å; D43-S45 PolarHBondContact OD2-OG 3.47Å
46C94.5Very high93.5Very high64 Ų6486 Ų8643%0.43250%0.499SS..SBendtrans-104.4147-178.5-70.90000111.7D43 P63D43-C46 HydrophobicContact CB-CB 4.3Å; D43-C46 PolarHBondContact OD2-SG 3.03Å; C46-P63 HydrophobicContact CB-CB 4.35Å; C46-P63 HydrophobicContact CB-CG 3.52Å
47E95.8Very high93.8Very high189 Ų18984 Ų8488%0.88349%0.487SS*.PPolyproline II helixtrans-71.3143.5176-64.7-175.5168.600111.4
48G94.6Very high94.2Very high44 Ų4478.4 Ų78.445%0.45446%0.462SS..PPolyproline II helixtrans-97.7162.7171.500000112.2T61G48-T61 CarbonylContact C-O 3.55Å; G48-T61 VanDerWaalsContact CA-O 3.28Å; G48-T61 WeakPolarHBondContact CA-O 3.16Å
49E96.3Very high94.6Very high116 Ų11674.2 Ų74.254%0.54245%0.446SS..EExtended strand (participates in β ladder)trans-102.3137.9175.6-156.8-175.2159.300110.6Q51 I60 T61E49-Q51 PolarHBondContact OE1-NE2 2.93Å; E49-Q51 PolarHBondContact OE2-NE2 3.39Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.31Å; E49-I60 WeakPolarHBondContact O-CA 3.35Å; E49-T61 PolarHBondContact N-O 3.39Å; E49-T61 PolarHBondContact O-N 3.41Å
50L96.1Very high94.9Very high97 Ų9774.5 Ų74.551%0.50845%0.447SS..EExtended strand (participates in β ladder)trans-123.5114.2175.9174.173000108.7V58 T59 I60L50-V58 HydrophobicContact CD1-CG1 3.34Å; L50-T59 CarbonylContact C-O 3.46Å; L50-T59 WeakPolarHBondContact CA-O 3.38Å; L50-I60 HydrophobicContact CD1-CD1 4.18Å; L50-I60 HydrophobicContact CD1-CG1 3.58Å
51Q96.2Very high95.1Very high58 Ų5870.5 Ų70.527%0.27141%0.411SS..EExtended strand (participates in β ladder)trans-107.9131.9173.6-5388.8-1.500111.1E49 V58 T59E49-Q51 PolarHBondContact OE1-NE2 2.93Å; E49-Q51 PolarHBondContact OE2-NE2 3.39Å; Q51-V58 WeakPolarHBondContact O-CA 3.31Å; Q51-T59 PolarHBondContact N-O 2.93Å; Q51-T59 PolarHBondContact O-N 3.49Å; Q51-T59 PolarHBondContact OE1-O 3.28Å; Q51-T59 VanDerWaalsContact OE1-O 3.1Å
52V94.5Very high95.2Very high109 Ų10971 Ų7166%0.66141%0.411SS*.EExtended strand (participates in β ladder)trans-95.4112.9168.4-175.90000107.7
53G92.9Very high95.3Very high37 Ų3771.6 Ų71.638%0.38142%0.416SS..  trans-81.9-161.3179.900000112.6E57G53-E57 PolarHBondContact N-O 3.25Å
54K92.8Very high95.3Very high199 Ų19971.3 Ų71.387%0.86541%0.414SS*.SBendtrans-71.4136.4177.8-167.1178.1-179.6-178.60110.3D56 E57K54-D56 PolarHBondContact O-N 2.78Å; K54-E57 PolarHBondContact O-N 3.33Å
55G93.4Very high95.3Very high65 Ų6570.2 Ų70.267%0.6740%0.404SS*.THydrogen-bonded Turntrans70.2-120.3-179.400000110.9
56D94.7Very high95.3Very high81 Ų8171.2 Ų71.243%0.43341%0.408SS..THydrogen-bonded Turntrans-103.87.4-178.4-66.6-48.8000113K54 N78 K79K54-D56 PolarHBondContact O-N 2.78Å; D56-N78 HydrophobicContact CB-CB 4.43Å; D56-N78 CarbonylContact O-C 3.53Å; D56-N78 WeakPolarHBondContact O-CA 3.48Å; D56-K79 HydrophobicContact CB-CB 4.12Å; D56-K79 PolarHBondContact O-N 3.47Å
57E96.7Very high95.2Very high76 Ų7672.1 Ų72.136%0.35543%0.427SS..EExtended strand (participates in β ladder)trans-67.5136.3-177.3-173.7175.3155.100111.7G53 K54 K76G53-E57 PolarHBondContact N-O 3.25Å; K54-E57 PolarHBondContact O-N 3.33Å; E57-K76 IonicContact OE1-NZ 2.63Å
58V97Very high95Very high3 Ų364.4 Ų64.42%0.01839%0.394CS..EExtended strand (participates in β ladder)trans-130.7127.8175.3-179.70000108.9L50 Q51 I60 K76 G77 K79 I106L50-V58 HydrophobicContact CD1-CG1 3.34Å; Q51-V58 WeakPolarHBondContact O-CA 3.31Å; V58-I60 HydrophobicContact CG1-CG1 4.21Å; V58-K76 WeakPolarHBondContact O-CA 3.49Å; V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.9Å; V58-K79 HydrophobicContact CG2-CB 4.41Å; V58-I106 HydrophobicContact CB-CG2 4Å; V58-I106 HydrophobicContact CG1-CD1 4.5Å; V58-I106 HydrophobicContact CG1-CG2 4.13Å; V58-I106 HydrophobicContact CG2-CD1 4.23Å; V58-I106 HydrophobicContact CG2-CG1 4.48Å; V58-I106 HydrophobicContact CG2-CG2 4.17Å
59T96.6Very high94.7Very high20 Ų2068.7 Ų68.712%0.12341%0.412CS..EExtended strand (participates in β ladder)trans-113.2135.6171.7-600000109L50 Q51 V74 F75 K76L50-T59 CarbonylContact C-O 3.46Å; L50-T59 WeakPolarHBondContact CA-O 3.38Å; Q51-T59 PolarHBondContact N-O 2.93Å; Q51-T59 PolarHBondContact O-N 3.49Å; Q51-T59 PolarHBondContact OE1-O 3.28Å; Q51-T59 VanDerWaalsContact OE1-O 3.1Å; T59-V74 HydrophobicContact CG2-CG1 3.61Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.28Å; T59-K76 HydrophobicContact CG2-CG 4.18Å
60I95.9Very high94.4Very high15 Ų1566.5 Ų66.58%0.07741%0.408CS..EExtended strand (participates in β ladder)trans-125.6123.8177.5-55.2176000107.9I33 E49 L50 V58 L62 V74 F75 V108I33-I60 HydrophobicContact CD1-CD1 3.91Å; I33-I60 HydrophobicContact CG1-CD1 4.38Å; I33-I60 HydrophobicContact CG2-CD1 3.5Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.31Å; E49-I60 WeakPolarHBondContact O-CA 3.35Å; L50-I60 HydrophobicContact CD1-CD1 4.18Å; L50-I60 HydrophobicContact CD1-CG1 3.58Å; V58-I60 HydrophobicContact CG1-CG1 4.21Å; I60-L62 HydrophobicContact CG2-CD2 3.92Å; I60-L62 HydrophobicContact CG2-CG 4.01Å; I60-V74 CarbonylContact O-C 3.44Å; I60-V74 WeakPolarHBondContact O-CA 3.31Å; I60-F75 HydrophobicContact CB-CB 4.26Å; I60-F75 PolarHBondContact N-O 3.48Å; I60-F75 PolarHBondContact O-N 2.85Å; I60-V108 HydrophobicContact CD1-CG1 3.88Å; I60-V108 HydrophobicContact CD1-CG2 4.33Å
61T95.9Very high94.2Very high23 Ų2366 Ų6614%0.14141%0.41CS..EExtended strand (participates in β ladder)trans-113.3116.4176.9-59.50000109G48 E49 M72 V74G48-T61 CarbonylContact C-O 3.55Å; G48-T61 VanDerWaalsContact CA-O 3.28Å; G48-T61 WeakPolarHBondContact CA-O 3.16Å; E49-T61 PolarHBondContact N-O 3.39Å; E49-T61 PolarHBondContact O-N 3.41Å; T61-M72 HydrophobicContact CG2-CB 4.19Å; T61-M72 HydrophobicContact CG2-CG 4.22Å; T61-M72 HydrophobicContact CG2-SD 3.5Å; T61-M72 WeakPolarHBondContact CG2-SD 3.26Å; T61-V74 HydrophobicContact CG2-CG2 4.3Å
62L95.6Very high94.1Very high42 Ų4267.6 Ų67.622%0.2242%0.419CS..EExtended strand (participates in β ladder)trans-109.9128.7178.9-60.8-178.8000110.3I42 I60 M72 T73 F75I42-L62 HydrophobicContact CD1-CB 4.29Å; I42-L62 HydrophobicContact CD1-CD1 3.73Å; I42-L62 HydrophobicContact CG1-CB 4.36Å; I42-L62 HydrophobicContact CG2-CB 4.42Å; I60-L62 HydrophobicContact CG2-CD2 3.92Å; I60-L62 HydrophobicContact CG2-CG 4.01Å; L62-M72 CarbonylContact O-C 3.45Å; L62-M72 VanDerWaalsContact O-CA 3.3Å; L62-M72 WeakPolarHBondContact O-CA 3.46Å; L62-M72 WeakPolarHBondContact O-CB 3.39Å; L62-T73 PolarHBondContact N-O 3.3Å; L62-T73 PolarHBondContact O-N 2.82Å; L62-F75 HydrophobicContact CD1-CD2 4.37Å; L62-F75 HydrophobicContact CD1-CE2 3.97Å
63P95.8Very high94.1Very high34 Ų3462.6 Ų62.622%0.22139%0.388CS..EExtended strand (participates in β ladder)trans-69.6155.5178.230.2-35000111.4I42 D43 C46I42-P63 WeakPolarHBondContact CA-O 3.37Å; D43-P63 PolarHBondContact N-O 2.92Å; C46-P63 HydrophobicContact CB-CB 4.35Å; C46-P63 HydrophobicContact CB-CG 3.52Å
64H95.6Very high94.2Very high17 Ų1762.8 Ų62.88%0.07938%0.382CS..BIsolated β-bridgetrans-102.8162.9169.4-69.3-175.6000111.7S41 S68 P70 P71 T73S41-H64 CarbonylContact O-C 3.55Å; S41-H64 WeakPolarHBondContact O-CA 3.41Å; S41-H64 WeakPolarHBondContact O-CB 3.47Å; S41-H64 PolarHBondContact OG-CE1 2.92Å; S41-H64 PolarHBondContact OG-ND1 2.93Å; S41-H64 PolarHBondContact OG-NE2 3.3Å; H64-S68 VanDerWaalsContact CB-CB 3.47Å; H64-P70 PolarHBondContact ND1-O 3.19Å; H64-P71 WeakPolarHBondContact CB-O 3.44Å; H64-P71 PolarHBondContact N-O 2.89Å; H64-T73 PolarHBondContact CE1-OG1 3.01Å; H64-T73 PolarHBondContact NE2-OG1 2.85Å
65I95.7Very high94.3Very high86 Ų8653.4 Ų53.444%0.44134%0.342SS..PPolyproline II helixtrans-57.2145.1172.760.1176.4000110.2S41 D43 G67 S68S41-I65 PolarHBondContact O-N 2.63Å; D43-I65 HydrophobicContact CB-CG2 3.98Å; I65-G67 PolarHBondContact O-N 3.16Å; I65-S68 VanDerWaalsContact CG1-OG 3.25Å; I65-S68 WeakPolarHBondContact CG1-OG 3.31Å; I65-S68 WeakPolarHBondContact O-CB 3.4Å; I65-S68 PolarHBondContact O-N 2.92Å; I65-S68 VanDerWaalsContact O-N 3.14Å; I65-S68 PolarHBondContact O-OG 3.03Å
66P94.1Very high94.4Very high121 Ų12154.8 Ų54.879%0.78633%0.329SS*.THydrogen-bonded Turntrans-51.1134.3179.4-28.335.1000112.7
67G92.5Very high94.5Very high82 Ų8251.3 Ų51.385%0.84531%0.312SS*.THydrogen-bonded Turntrans92.3-6-177.400000115.1I65I65-G67 PolarHBondContact O-N 3.16Å
68S91.4Very high94.5Very high27 Ų2752.1 Ų52.119%0.18932%0.319CS..  trans-71.8143.2174.4-58.20000112.5H64 I65 P70H64-S68 VanDerWaalsContact CB-CB 3.47Å; I65-S68 VanDerWaalsContact CG1-OG 3.25Å; I65-S68 WeakPolarHBondContact CG1-OG 3.31Å; I65-S68 WeakPolarHBondContact O-CB 3.4Å; I65-S68 PolarHBondContact O-N 2.92Å; I65-S68 VanDerWaalsContact O-N 3.14Å; I65-S68 PolarHBondContact O-OG 3.03Å; S68-P70 CarbonylContact C-O 3.59Å; S68-P70 CarbonylContact O-C 3.44Å
69T90.3Very high94.4Very high135 Ų13555.2 Ų55.283%0.82833%0.332SS*.SBendtrans-125.8118171.554.50000109.9
70P89.5Confident94.3Very high70 Ų7062.5 Ų62.546%0.45536%0.357SS..SBendcis-67.9164.3-2.531.5-36.6000112.7H64 S68 M72H64-P70 PolarHBondContact ND1-O 3.19Å; S68-P70 CarbonylContact C-O 3.59Å; S68-P70 CarbonylContact O-C 3.44Å; P70-M72 PolarHBondContact O-N 3.04Å
71P92.2Very high94.2Very high86 Ų8666.5 Ų66.556%0.55838%0.384SS*.SBendtrans-76.5-6.6-176.831.1-37000114.3H64H64-P71 WeakPolarHBondContact CB-O 3.44Å; H64-P71 PolarHBondContact N-O 2.89Å
72M93.8Very high93.9Very high92 Ų9267.5 Ų67.545%0.45339%0.386SS..EExtended strand (participates in β ladder)trans-154.5164.4-176.563.1-175.971.800111.3T61 L62 P70T61-M72 HydrophobicContact CG2-CB 4.19Å; T61-M72 HydrophobicContact CG2-CG 4.22Å; T61-M72 HydrophobicContact CG2-SD 3.5Å; T61-M72 WeakPolarHBondContact CG2-SD 3.26Å; L62-M72 CarbonylContact O-C 3.45Å; L62-M72 VanDerWaalsContact O-CA 3.3Å; L62-M72 WeakPolarHBondContact O-CA 3.46Å; L62-M72 WeakPolarHBondContact O-CB 3.39Å; P70-M72 PolarHBondContact O-N 3.04Å
73T93.4Very high93.2Very high3 Ų373.3 Ų73.32%0.01841%0.412CS..EExtended strand (participates in β ladder)trans-121.2131.6167.7-71.20000110.6P39 L62 H64 F75 K110P39-T73 HydrophobicContact CG-CG2 4.22Å; L62-T73 PolarHBondContact N-O 3.3Å; L62-T73 PolarHBondContact O-N 2.82Å; H64-T73 PolarHBondContact CE1-OG1 3.01Å; H64-T73 PolarHBondContact NE2-OG1 2.85Å; T73-F75 HydrophobicContact CG2-CD2 3.89Å; T73-F75 HydrophobicContact CG2-CE1 4.41Å; T73-F75 HydrophobicContact CG2-CE2 3.36Å; T73-F75 HydrophobicContact CG2-CZ 3.67Å; T73-K110 HydrophobicContact CG2-CD 3.85Å; T73-K110 HydrophobicContact CG2-CG 3.81Å
74V94.8Very high92.7Very high41 Ų4176.1 Ų76.125%0.24842%0.421CS..EExtended strand (participates in β ladder)trans-102.6127.9176-176.90000109.2T59 I60 T61 K76 T111T59-V74 HydrophobicContact CG2-CG1 3.61Å; I60-V74 CarbonylContact O-C 3.44Å; I60-V74 WeakPolarHBondContact O-CA 3.31Å; T61-V74 HydrophobicContact CG2-CG2 4.3Å; V74-K76 HydrophobicContact CG1-CG 4.43Å; V74-T111 PolarHBondContact O-N 3.15Å
75F95.7Very high92.5Very high3 Ų378.9 Ų78.91%0.01344%0.436CS..EExtended strand (participates in β ladder)trans-110.7140.6170.6-62.5-95.6000109.6F37 I42 T59 I60 L62 T73 V108 K109 K110F37-F75 WeakPolarHBondContact O-CE1 3.34Å; F37-F75 WeakPolarHBondContact O-CZ 3.17Å; I42-F75 HydrophobicContact CD1-CE2 4.35Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.28Å; I60-F75 HydrophobicContact CB-CB 4.26Å; I60-F75 PolarHBondContact N-O 3.48Å; I60-F75 PolarHBondContact O-N 2.85Å; L62-F75 HydrophobicContact CD1-CD2 4.37Å; L62-F75 HydrophobicContact CD1-CE2 3.97Å; T73-F75 HydrophobicContact CG2-CD2 3.89Å; T73-F75 HydrophobicContact CG2-CE1 4.41Å; T73-F75 HydrophobicContact CG2-CE2 3.36Å; T73-F75 HydrophobicContact CG2-CZ 3.67Å; F75-V108 HydrophobicContact CB-CB 3.82Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.01Å; F75-V108 HydrophobicContact CG-CG2 4.07Å; F75-K109 CarbonylContact C-O 3.54Å; F75-K109 VanDerWaalsContact CA-O 3.26Å; F75-K109 WeakPolarHBondContact CA-O 3.24Å; F75-K110 HydrophobicContact CD1-CB 4.15Å; F75-K110 HydrophobicContact CE1-CB 3.98Å
76K96Very high92.4Very high93 Ų9376.7 Ų76.740%0.40443%0.428SS..EExtended strand (participates in β ladder)trans-127.8144.1176-72.2-170.6174.4-159.60110.9E57 V58 T59 V74 V108 K109 T111E57-K76 IonicContact OE1-NZ 2.63Å; V58-K76 WeakPolarHBondContact O-CA 3.49Å; T59-K76 HydrophobicContact CG2-CG 4.18Å; V74-K76 HydrophobicContact CG1-CG 4.43Å; K76-V108 CarbonylContact O-C 3.42Å; K76-V108 VanDerWaalsContact O-CA 3.31Å; K76-V108 WeakPolarHBondContact O-CA 3.46Å; K76-K109 PolarHBondContact N-O 2.8Å; K76-K109 PolarHBondContact O-N 2.85Å; K76-T111 WeakPolarHBondContact CG-OG1 3.36Å
77G96Very high92.4Very high8 Ų873.3 Ų73.38%0.08241%0.405CS..EExtended strand (participates in β ladder)trans-165.2-170.2178.600000112.2V58 Q107V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.9Å; G77-Q107 VanDerWaalsContact CA-O 3.24Å; G77-Q107 WeakPolarHBondContact CA-O 3.47Å
78N96.2Very high92.5Very high93 Ų9373.5 Ų73.550%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-129.7142.5179.6-63.674000111D56D56-N78 HydrophobicContact CB-CB 4.43Å; D56-N78 CarbonylContact O-C 3.53Å; D56-N78 WeakPolarHBondContact O-CA 3.48Å
79K95.2Very high92.6Very high69 Ų6975.4 Ų75.430%0.339%0.394SS..EExtended strand (participates in β ladder)trans-69.8133.7170.9-174.8174.2170.3-77.90110.2D56 V58 S104 I106D56-K79 HydrophobicContact CB-CB 4.12Å; D56-K79 PolarHBondContact O-N 3.47Å; V58-K79 HydrophobicContact CG2-CB 4.41Å; K79-S104 VanDerWaalsContact CE-CB 3.46Å; K79-S104 WeakPolarHBondContact CE-OG 3.27Å; K79-S104 VanDerWaalsContact CG-OG 3.28Å; K79-S104 WeakPolarHBondContact CG-OG 3.31Å; K79-I106 HydrophobicContact CB-CG1 4.47Å
80R95Very high92.8Very high172 Ų17271 Ų7165%0.64937%0.365SS*.EExtended strand (participates in β ladder)trans-126.5128.1171.3-65.5-65.6-166.8173.82108.9S104 S105R80-S104 CarbonylContact O-C 3.44Å; R80-S104 WeakPolarHBondContact O-CA 3.26Å; R80-S104 WeakPolarHBondContact O-CB 3.05Å; R80-S105 PolarHBondContact N-O 2.79Å; R80-S105 PolarHBondContact O-N 2.74Å
81P93.3Very high92.9Very high99 Ų9970.5 Ų70.564%0.64336%0.358SS*.EExtended strand (participates in β ladder)trans-63.4139.3-179.626.6-33.5000111.1S103P81-S103 WeakPolarHBondContact CA-O 3.46Å
82Y90Very high92.7Very high45 Ų4571.3 Ų71.318%0.17635%0.354CS..  trans-79155.4163.3-83.7-67.2000109.6T32 R34 D85 L102 S103 S104 S105T32-Y82 HydrophobicContact CG2-CE2 3.85Å; T32-Y82 WeakPolarHBondContact CG2-OH 3.46Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.47Å; T32-Y82 PolarHBondContact OG1-OH 3.21Å; R34-Y82 PolarHBondContact NH1-OH 3.25Å; Y82-D85 HydrophobicContact CD1-CB 3.69Å; Y82-D85 VanDerWaalsContact CD1-OD2 3.29Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.42Å; Y82-D85 HydrophobicContact CE1-CB 4.12Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.22Å; Y82-D85 HydrophobicContact CG-CB 4.01Å; Y82-L102 VanDerWaalsContact CB-O 3.27Å; Y82-L102 WeakPolarHBondContact CB-O 3.12Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CE2-CB 3.99Å; Y82-L102 HydrophobicContact CE2-CD1 4.21Å; Y82-L102 HydrophobicContact CG-CB 4.05Å; Y82-S103 PolarHBondContact N-O 2.87Å; Y82-S103 VanDerWaalsContact N-O 3.16Å; Y82-S104 WeakPolarHBondContact CE2-O 3.37Å; Y82-S105 VanDerWaalsContact CE2-N 3.31Å
83Q81.3Confident92.6Very high163 Ų16374.6 Ų74.676%0.76237%0.373SS*.SBendtrans-103.6-51.8178.1-67.5-174.5-14.300111.8
84K84.2Confident92.6Very high93 Ų9378.3 Ų78.340%0.40440%0.396SS..SBendtrans-140.327.8-167.9-61.8-176.6176.6-169.90112.5L257K84-L257 HydrophobicContact CB-CD2 4.06Å; K84-L257 VanDerWaalsContact CD-O 3.31Å; K84-L257 WeakPolarHBondContact CD-O 3.45Å; K84-L257 VanDerWaalsContact CE-O 3.25Å; K84-L257 WeakPolarHBondContact CE-O 3.02Å; K84-L257 PolarHBondContact NZ-O 2.92Å; K84-L257 VanDerWaalsContact NZ-O 3.12Å
85D91.5Very high92.3Very high75 Ų7578.5 Ų78.540%0.40141%0.406SS..  trans-101.7139.3-175.7-64.640.3000108.9Y82 L102Y82-D85 HydrophobicContact CD1-CB 3.69Å; Y82-D85 VanDerWaalsContact CD1-OD2 3.29Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.42Å; Y82-D85 HydrophobicContact CE1-CB 4.12Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.22Å; Y82-D85 HydrophobicContact CG-CB 4.01Å; D85-L102 HydrophobicContact CB-CB 4.07Å; D85-L102 HydrophobicContact CB-CD1 3.9Å; D85-L102 WeakPolarHBondContact O-CB 3.29Å; D85-L102 PolarHBondContact O-N 3.17Å
86C93.7Very high92.1Very high41 Ų4181.7 Ų81.728%0.27742%0.422SS..EExtended strand (participates in β ladder)trans-132159.4178-61.50000109.7L99 E100C86-L99 HydrophobicContact CB-CD1 3.64Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.89Å; C86-E100 CarbonylContact C-O 3.52Å; C86-E100 WeakPolarHBondContact CA-O 3.34Å; C86-E100 VanDerWaalsContact CB-O 3.3Å; C86-E100 WeakPolarHBondContact CB-O 3.44Å
87V94.9Very high92.1Very high50 Ų5078.4 Ų78.430%0.30341%0.407SS..EExtended strand (participates in β ladder)trans-115.7131.7168.762.30000108.5F30 I89 E100 L102F30-V87 HydrophobicContact CB-CG1 4.48Å; F30-V87 HydrophobicContact CD1-CG1 4.19Å; F30-V87 HydrophobicContact CG-CG1 4.34Å; V87-I89 HydrophobicContact CG1-CG1 4.43Å; V87-E100 HydrophobicContact CG1-CB 3.87Å; V87-E100 PolarHBondContact N-O 3.48Å; V87-E100 PolarHBondContact O-N 2.76Å; V87-L102 HydrophobicContact CB-CD2 4.42Å; V87-L102 HydrophobicContact CB-CG 4.47Å; V87-L102 HydrophobicContact CG1-CD2 4.39Å
88L94.8Very high92Very high85 Ų8579.4 Ų79.445%0.44541%0.411SS..EExtended strand (participates in β ladder)trans-92.7119.6171.3179.363.5000108.3L16 I90 L99L16-L88 HydrophobicContact CD1-CD1 3.64Å; L88-I90 HydrophobicContact CD2-CD1 4.17Å; L88-I90 HydrophobicContact CD2-CG1 4.27Å; L88-I90 HydrophobicContact CG-CD1 4.45Å; L88-I90 HydrophobicContact CG-CG1 4.05Å; L88-L99 HydrophobicContact CB-CD1 4.36Å
89I93.9Very high92Very high68 Ų6876.2 Ų76.235%0.34939%0.394SS..EExtended strand (participates in β ladder)trans-102.3122176.7-56.6176.1000107.4F30 V87 V98 E100F30-I89 HydrophobicContact CE1-CD1 3.73Å; F30-I89 HydrophobicContact CZ-CD1 4.02Å; V87-I89 HydrophobicContact CG1-CG1 4.43Å; I89-V98 PolarHBondContact N-O 3.25Å; I89-V98 PolarHBondContact O-N 3.4Å; I89-E100 HydrophobicContact CD1-CG 3.83Å
90I93.7Very high92Very high42 Ų4273.7 Ų73.722%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-113.6115.2179-54.2174.3000107.4L9 L88 H92 E96 Y97L9-I90 HydrophobicContact CD2-CD1 3.55Å; L88-I90 HydrophobicContact CD2-CD1 4.17Å; L88-I90 HydrophobicContact CD2-CG1 4.27Å; L88-I90 HydrophobicContact CG-CD1 4.45Å; L88-I90 HydrophobicContact CG-CG1 4.05Å; I90-H92 VanDerWaalsContact CG2-CE1 3.47Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.12Å; I90-E96 WeakPolarHBondContact CA-O 3.46Å; I90-Y97 HydrophobicContact CB-CE1 4.46Å; I90-Y97 HydrophobicContact CD1-CD1 4.03Å; I90-Y97 HydrophobicContact CD1-CE1 3.71Å; I90-Y97 HydrophobicContact CG1-CD1 3.77Å; I90-Y97 HydrophobicContact CG1-CE1 3.85Å; I90-Y97 HydrophobicContact CG2-CD1 4.22Å; I90-Y97 HydrophobicContact CG2-CE1 3.8Å; I90-Y97 HydrophobicContact CG2-CE2 4.07Å
91N92.2Very high92Very high60 Ų6068.3 Ų68.332%0.32137%0.365SS..EExtended strand (participates in β ladder)trans-93.3108.7172.7-175-21.8000108.9D93 T94 G95 E96N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.96Å; N91-D93 WeakPolarHBondContact OD1-CB 3.46Å; N91-D93 PolarHBondContact OD1-N 2.74Å; N91-T94 WeakPolarHBondContact CB-OG1 3.28Å; N91-T94 PolarHBondContact ND2-OG1 2.96Å; N91-T94 PolarHBondContact OD1-N 3.44Å; N91-G95 VanDerWaalsContact O-CA 3.27Å; N91-G95 WeakPolarHBondContact O-CA 3.32Å; N91-G95 PolarHBondContact O-N 3.25Å; N91-E96 HydrophobicContact CB-CB 4.46Å; N91-E96 PolarHBondContact N-O 3.23Å; N91-E96 PolarHBondContact O-N 2.94Å
92H88.2Confident92.1Very high103 Ų10364.6 Ų64.648%0.47734%0.339SS..THydrogen-bonded Turntrans-73.2-22.2-178.7-64.9-69.7000113.8L8 I90L8-H92 WeakPolarHBondContact CD2-CE1 3.31Å; L8-H92 WeakPolarHBondContact CD2-NE2 3.42Å; L8-H92 WeakPolarHBondContact CG-CE1 3.32Å; I90-H92 VanDerWaalsContact CG2-CE1 3.47Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.12Å
93D91.6Very high92.2Very high160 Ų16064.2 Ų64.286%0.85634%0.343SS*.THydrogen-bonded Turntrans-78-36.7178.3-60.4-35.4000111.1N91N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.96Å; N91-D93 WeakPolarHBondContact OD1-CB 3.46Å; N91-D93 PolarHBondContact OD1-N 2.74Å
94T92.3Very high92.9Very high81 Ų8156.5 Ų56.550%0.49731%0.307SS..THydrogen-bonded Turntrans-100.2-15.9-178.866.10000114.2N91 E96N91-T94 WeakPolarHBondContact CB-OG1 3.28Å; N91-T94 PolarHBondContact ND2-OG1 2.96Å; N91-T94 PolarHBondContact OD1-N 3.44Å; T94-E96 VanDerWaalsContact C-N 3.28Å; T94-E96 WeakPolarHBondContact OG1-CB 3.08Å; T94-E96 WeakPolarHBondContact OG1-CG 3.27Å; T94-E96 PolarHBondContact OG1-N 3.1Å; T94-E96 PolarHBondContact OG1-OE2 2.59Å
95G88.5Confident93.4Very high45 Ų4552.6 Ų52.646%0.46429%0.291SS..THydrogen-bonded Turntrans72.817.2-172.500000113.8N91 Y97N91-G95 VanDerWaalsContact O-CA 3.27Å; N91-G95 WeakPolarHBondContact O-CA 3.32Å; N91-G95 PolarHBondContact O-N 3.25Å; G95-Y97 VanDerWaalsContact O-CD2 3.31Å; G95-Y97 WeakPolarHBondContact O-CD2 3.45Å
96E92.8Very high93.6Very high71 Ų7149.4 Ų49.433%0.33228%0.275SS..EExtended strand (participates in β ladder)trans-87.9132.9-176.4-68.9-176.6119.900112.7R17 I90 N91 T94 V98R17-E96 IonicContact CZ-OE1 3.3Å; R17-E96 IonicContact NH1-OE1 3.52Å; R17-E96 PolarHBondContact NH1-OE1 3.3Å; I90-E96 WeakPolarHBondContact CA-O 3.46Å; N91-E96 HydrophobicContact CB-CB 4.46Å; N91-E96 PolarHBondContact N-O 3.23Å; N91-E96 PolarHBondContact O-N 2.94Å; T94-E96 VanDerWaalsContact C-N 3.28Å; T94-E96 WeakPolarHBondContact OG1-CB 3.08Å; T94-E96 WeakPolarHBondContact OG1-CG 3.27Å; T94-E96 PolarHBondContact OG1-N 3.1Å; T94-E96 PolarHBondContact OG1-OE2 2.59Å; E96-V98 HydrophobicContact CB-CG2 4.49Å
97Y94.1Very high93.7Very high23 Ų2353.5 Ų53.59%0.0929%0.29CS..EExtended strand (participates in β ladder)trans-112.4106.9177.1-69.9-112.6000108.4L9 H14 R17 I90 G95L9-Y97 HydrophobicContact CD2-CE1 4.45Å; H14-Y97 HydrophobicContact CB-CD1 4.02Å; H14-Y97 HydrophobicContact CB-CD2 3.58Å; H14-Y97 HydrophobicContact CB-CE1 4.07Å; H14-Y97 HydrophobicContact CB-CE2 3.69Å; H14-Y97 HydrophobicContact CB-CG 3.79Å; H14-Y97 AromaticContact CD2-CE1 3.9Å; H14-Y97 AromaticContact CD2-CE2 3.94Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 2.85Å; H14-Y97 AromaticContact CE1-CE2 3.78Å; H14-Y97 AromaticContact CE1-CZ 3.81Å; H14-Y97 PolarHBondContact CE1-OH 2.98Å; H14-Y97 AromaticContact CG-CD2 3.77Å; H14-Y97 AromaticContact CG-CE1 3.88Å; H14-Y97 AromaticContact CG-CE2 3.31Å; H14-Y97 AromaticContact CG-CZ 3.36Å; H14-Y97 AromaticContact ND1-CD2 3.89Å; H14-Y97 AromaticContact ND1-CE2 3.22Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.35Å; H14-Y97 AromaticContact ND1-CZ 3.6Å; H14-Y97 AromaticContact NE2-CZ 3.77Å; H14-Y97 PolarHBondContact NE2-OH 3.31Å; R17-Y97 PolarHBondContact N-O 3.43Å; I90-Y97 HydrophobicContact CB-CE1 4.46Å; I90-Y97 HydrophobicContact CD1-CD1 4.03Å; I90-Y97 HydrophobicContact CD1-CE1 3.71Å; I90-Y97 HydrophobicContact CG1-CD1 3.77Å; I90-Y97 HydrophobicContact CG1-CE1 3.85Å; I90-Y97 HydrophobicContact CG2-CD1 4.22Å; I90-Y97 HydrophobicContact CG2-CE1 3.8Å; I90-Y97 HydrophobicContact CG2-CE2 4.07Å; G95-Y97 VanDerWaalsContact O-CD2 3.31Å; G95-Y97 WeakPolarHBondContact O-CD2 3.45Å
98V95Very high93.8Very high29 Ų2951.4 Ų51.418%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-116.2120.6-174.8-173.80000110R17 I89 E96 E100R17-V98 HydrophobicContact CB-CG2 4.38Å; R17-V98 CarbonylContact O-C 3.5Å; R17-V98 WeakPolarHBondContact O-CA 3.31Å; I89-V98 PolarHBondContact N-O 3.25Å; I89-V98 PolarHBondContact O-N 3.4Å; E96-V98 HydrophobicContact CB-CG2 4.49Å; V98-E100 HydrophobicContact CG1-CG 4.17Å
99L95.7Very high93.8Very high26 Ų2654.4 Ų54.414%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-87.7127.6170-164.168.8000109.4L16 R17 L18 G19 F22 C86 L88 L253L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.47Å; L16-L99 HydrophobicContact CD2-CD2 4.41Å; L16-L99 HydrophobicContact CG-CB 4.41Å; R17-L99 PolarHBondContact O-N 3.46Å; L18-L99 HydrophobicContact CD2-CB 4.11Å; L18-L99 HydrophobicContact CD2-CD2 4.14Å; G19-L99 PolarHBondContact N-O 3.29Å; F22-L99 WeakPolarHBondContact CD2-O 3.4Å; F22-L99 HydrophobicContact CE2-CB 4.31Å; F22-L99 HydrophobicContact CE2-CD2 4.34Å; F22-L99 HydrophobicContact CE2-CG 4.13Å; F22-L99 WeakPolarHBondContact CE2-O 3.37Å; F22-L99 HydrophobicContact CZ-CD2 4.04Å; F22-L99 HydrophobicContact CZ-CG 4.25Å; C86-L99 HydrophobicContact CB-CD1 3.64Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.89Å; L88-L99 HydrophobicContact CB-CD1 4.36Å; L99-L253 HydrophobicContact CD2-CD2 4.01Å
100E95.9Very high93.8Very high16 Ų1656.1 Ų56.18%0.07529%0.291CS..EExtended strand (participates in β ladder)trans-122.7142.9174.4-64.8-78.5-167.700110.1G19 E20 S21 F30 C86 V87 I89 V98G19-E100 VanDerWaalsContact CA-CD 3.46Å; G19-E100 VanDerWaalsContact CA-OE1 3.27Å; G19-E100 WeakPolarHBondContact CA-OE1 3.37Å; G19-E100 WeakPolarHBondContact CA-OE2 3.43Å; E20-E100 PolarHBondContact N-OE1 3Å; E20-E100 PolarHBondContact N-OE2 3.14Å; S21-E100 WeakPolarHBondContact CB-OE2 3.27Å; S21-E100 PolarHBondContact N-OE2 3.28Å; S21-E100 VanDerWaalsContact OG-CA 3.31Å; S21-E100 WeakPolarHBondContact OG-CA 3.25Å; S21-E100 PolarHBondContact OG-OE2 2.75Å; F30-E100 HydrophobicContact CD2-CB 3.66Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.45Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.54Å; F30-E100 HydrophobicContact CE2-CG 3.45Å; F30-E100 VanDerWaalsContact CE2-CG 3.45Å; F30-E100 HydrophobicContact CG-CB 4.2Å; F30-E100 HydrophobicContact CZ-CB 3.96Å; F30-E100 HydrophobicContact CZ-CG 3.53Å; C86-E100 CarbonylContact C-O 3.52Å; C86-E100 WeakPolarHBondContact CA-O 3.34Å; C86-E100 VanDerWaalsContact CB-O 3.3Å; C86-E100 WeakPolarHBondContact CB-O 3.44Å; V87-E100 HydrophobicContact CG1-CB 3.87Å; V87-E100 PolarHBondContact N-O 3.48Å; V87-E100 PolarHBondContact O-N 2.76Å; I89-E100 HydrophobicContact CD1-CG 3.83Å; V98-E100 HydrophobicContact CG1-CG 4.17Å
101K94Very high93.6Very high59 Ų5956.7 Ų56.726%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-75.6130.1175.9-172.8175.3-171.3166.80111S21 F22 S103 D256S21-K101 PolarHBondContact OG-N 3.44Å; F22-K101 HydrophobicContact CE2-CB 4.35Å; F22-K101 HydrophobicContact CZ-CB 4.29Å; K101-S103 PolarHBondContact O-N 3.18Å; K101-D256 IonicContact NZ-OD2 3.58Å; K101-D256 PolarHBondContact NZ-OD2 3.25Å
102L95.2Very high93Very high22 Ų2261 Ų6112%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-74.9124.4166.9-72.8172.7000108.9F30 T32 Y82 D85 V87F30-L102 HydrophobicContact CB-CD2 3.93Å; T32-L102 HydrophobicContact CG2-CD1 4.03Å; T32-L102 HydrophobicContact CG2-CD2 3.95Å; Y82-L102 VanDerWaalsContact CB-O 3.27Å; Y82-L102 WeakPolarHBondContact CB-O 3.12Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CE2-CB 3.99Å; Y82-L102 HydrophobicContact CE2-CD1 4.21Å; Y82-L102 HydrophobicContact CG-CB 4.05Å; D85-L102 HydrophobicContact CB-CB 4.07Å; D85-L102 HydrophobicContact CB-CD1 3.9Å; D85-L102 WeakPolarHBondContact O-CB 3.29Å; D85-L102 PolarHBondContact O-N 3.17Å; V87-L102 HydrophobicContact CB-CD2 4.42Å; V87-L102 HydrophobicContact CB-CG 4.47Å; V87-L102 HydrophobicContact CG1-CD2 4.39Å
103S93.3Very high92Very high37 Ų3759.1 Ų59.126%0.25931%0.31SS..EExtended strand (participates in β ladder)trans-89.1-38.9-176.4-63.80000112.1F30 P81 Y82 K101F30-S103 WeakPolarHBondContact O-CB 3.48Å; F30-S103 PolarHBondContact O-N 3.33Å; P81-S103 WeakPolarHBondContact CA-O 3.46Å; Y82-S103 PolarHBondContact N-O 2.87Å; Y82-S103 VanDerWaalsContact N-O 3.16Å; K101-S103 PolarHBondContact O-N 3.18Å
104S94.7Very high90.2Very high0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-157.4152.5176.862.50000115.8H31 T32 K79 R80 Y82H31-S104 VanDerWaalsContact CA-O 3.29Å; H31-S104 WeakPolarHBondContact CA-O 3.03Å; H31-S104 PolarHBondContact ND1-OG 2.81Å; T32-S104 PolarHBondContact N-O 2.84Å; K79-S104 VanDerWaalsContact CE-CB 3.46Å; K79-S104 WeakPolarHBondContact CE-OG 3.27Å; K79-S104 VanDerWaalsContact CG-OG 3.28Å; K79-S104 WeakPolarHBondContact CG-OG 3.31Å; R80-S104 CarbonylContact O-C 3.44Å; R80-S104 WeakPolarHBondContact O-CA 3.26Å; R80-S104 WeakPolarHBondContact O-CB 3.05Å; Y82-S104 WeakPolarHBondContact CE2-O 3.37Å
105S95.5Very high88.2Confident11 Ų1159.8 Ų59.88%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-95.8134.7167.6-175.30000110.3T32 R34 R80 Y82T32-S105 WeakPolarHBondContact OG1-CA 3.47Å; R34-S105 VanDerWaalsContact CZ-OG 3.26Å; R34-S105 PolarHBondContact NH1-OG 3.26Å; R34-S105 PolarHBondContact NH2-OG 2.83Å; R80-S105 PolarHBondContact N-O 2.79Å; R80-S105 PolarHBondContact O-N 2.74Å; Y82-S105 VanDerWaalsContact CE2-N 3.31Å
106I96.6Very high86.3Confident9 Ų960 Ų605%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-122.9116.4176.9-54.4164.1000107H31 T32 I33 R34 V58 K79 V108H31-I106 HydrophobicContact CB-CD1 4.24Å; T32-I106 WeakPolarHBondContact O-CB 3.34Å; T32-I106 PolarHBondContact O-N 2.79Å; I33-I106 CarbonylContact C-O 3.53Å; I33-I106 WeakPolarHBondContact CA-O 3.42Å; I33-I106 HydrophobicContact CG1-CB 4.16Å; I33-I106 HydrophobicContact CG1-CD1 3.96Å; R34-I106 PolarHBondContact N-O 3.42Å; V58-I106 HydrophobicContact CB-CG2 4Å; V58-I106 HydrophobicContact CG1-CD1 4.5Å; V58-I106 HydrophobicContact CG1-CG2 4.13Å; V58-I106 HydrophobicContact CG2-CD1 4.23Å; V58-I106 HydrophobicContact CG2-CG1 4.48Å; V58-I106 HydrophobicContact CG2-CG2 4.17Å; K79-I106 HydrophobicContact CB-CG1 4.47Å; I106-V108 HydrophobicContact CG2-CG1 3.64Å
107Q96Very high83.9Confident127 Ų12759 Ų5959%0.59331%0.313SS*.EExtended strand (participates in β ladder)trans-103.7119.5171.8-74.4178.3-26.200108.1R34 G77R34-Q107 HydrophobicContact CB-CG 4.45Å; R34-Q107 WeakPolarHBondContact O-CA 3.3Å; G77-Q107 VanDerWaalsContact CA-O 3.24Å; G77-Q107 WeakPolarHBondContact CA-O 3.47Å
108V96.4Very high81.8Confident5 Ų565 Ų653%0.0334%0.34CS..EExtended strand (participates in β ladder)trans-115.3149.7-177.6-55.40000111.3I33 R34 I60 F75 K76 I106I33-V108 HydrophobicContact CG2-CG1 4.45Å; I33-V108 HydrophobicContact CG2-CG2 4.26Å; R34-V108 PolarHBondContact O-N 3.19Å; I60-V108 HydrophobicContact CD1-CG1 3.88Å; I60-V108 HydrophobicContact CD1-CG2 4.33Å; F75-V108 HydrophobicContact CB-CB 3.82Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.01Å; F75-V108 HydrophobicContact CG-CG2 4.07Å; K76-V108 CarbonylContact O-C 3.42Å; K76-V108 VanDerWaalsContact O-CA 3.31Å; K76-V108 WeakPolarHBondContact O-CA 3.46Å; I106-V108 HydrophobicContact CG2-CG1 3.64Å
109K95.2Very high79.9Confident149 Ų14970.1 Ų70.165%0.64837%0.365SS*.EExtended strand (participates in β ladder)trans-123.1146.4173.8-68.5-173.9173.5-175.30110F75 K76 T111F75-K109 CarbonylContact C-O 3.54Å; F75-K109 VanDerWaalsContact CA-O 3.26Å; F75-K109 WeakPolarHBondContact CA-O 3.24Å; K76-K109 PolarHBondContact N-O 2.8Å; K76-K109 PolarHBondContact O-N 2.85Å; K109-T111 PolarHBondContact O-N 3.45Å
110K93.3Very high77.7Confident104 Ų10475 Ų7545%0.45239%0.387SS..EExtended strand (participates in β ladder)trans-60.8124.2174.4179.8171-179.7-178.90109.7T73 F75T73-K110 HydrophobicContact CG2-CD 3.85Å; T73-K110 HydrophobicContact CG2-CG 3.81Å; F75-K110 HydrophobicContact CD1-CB 4.15Å; F75-K110 HydrophobicContact CE1-CB 3.98Å
111T88.9Confident75.5Confident53 Ų5377.5 Ų77.533%0.32541%0.411SS..PPolyproline II helixtrans-77.7132.5171.3-58.80000108.4V74 K76 K109 A113V74-T111 PolarHBondContact O-N 3.15Å; K76-T111 WeakPolarHBondContact CG-OG1 3.36Å; K109-T111 PolarHBondContact O-N 3.45Å; T111-A113 PolarHBondContact O-N 3.49Å
112R80.6Confident73.5Confident151 Ų15183.6 Ų83.657%0.5743%0.432SS*.PPolyproline II helixtrans-69.2130173-167.4171.3-160.2-147.6-5.8107.7E114 S116 S117R112-E114 PolarHBondContact O-N 2.91Å; R112-S116 VanDerWaalsContact CG-CB 3.48Å; R112-S116 WeakPolarHBondContact CG-OG 3.49Å; R112-S116 PolarHBondContact NH2-O 2.79Å; R112-S117 PolarHBondContact NH1-OG 3.36Å
113A66.4Low71.6Confident63 Ų6390.2 Ų90.252%0.52146%0.464SS..PPolyproline II helixtrans-54127.817100000108.4T111 G115 S116T111-A113 PolarHBondContact O-N 3.49Å; A113-G115 PolarHBondContact O-N 2.89Å; A113-S116 PolarHBondContact O-N 2.85Å; A113-S116 VanDerWaalsContact O-N 3.15Å; A113-S116 PolarHBondContact O-OG 2.89Å
114E53.4Low69.8Low199 Ų19997.3 Ų97.393%0.9349%0.493SS*.THydrogen-bonded Turntrans-50.9128.6172.2-62-167.3162.300107.8R112R112-E114 PolarHBondContact O-N 2.91Å
115G50.8Low67.7Low57 Ų57104.9 Ų104.959%0.58853%0.528SS*.THydrogen-bonded Turntrans102.5-5.5-175.200000116.9A113 S117A113-G115 PolarHBondContact O-N 2.89Å; G115-S117 PolarHBondContact O-N 2.85Å
116S47.9Very low65.1Low50 Ų50112.6 Ų112.635%0.3556%0.564SS.*  trans-70.7-18.6174.3-57.70000114.3R112 A113 K118R112-S116 VanDerWaalsContact CG-CB 3.48Å; R112-S116 WeakPolarHBondContact CG-OG 3.49Å; R112-S116 PolarHBondContact NH2-O 2.79Å; A113-S116 PolarHBondContact O-N 2.85Å; A113-S116 VanDerWaalsContact O-N 3.15Å; A113-S116 PolarHBondContact O-OG 2.89Å; S116-K118 PolarHBondContact O-N 2.82Å
117S44.1Very low62.8Low49 Ų49117.5 Ų117.534%0.34360%0.596SS.*SBendtrans-79.1114.7175.4-67.60000107.9R112 G115 I119 Q120R112-S117 PolarHBondContact NH1-OG 3.36Å; G115-S117 PolarHBondContact O-N 2.85Å; S117-I119 PolarHBondContact O-N 2.77Å; S117-Q120 PolarHBondContact O-N 3.38Å
118K50Low60.3Low148 Ų148118 Ų11864%0.64361%0.608SS**THydrogen-bonded Turntrans-53.9-4.4169.8-61.7-168.3-177.8-1680114.1S116 E180S116-K118 PolarHBondContact O-N 2.82Å; K118-E180 IonicContact NZ-OE1 2.63Å; K118-E180 PolarHBondContact NZ-OE1 2.8Å; K118-E180 IonicContact NZ-OE2 2.79Å; K118-E180 PolarHBondContact NZ-OE2 2.71Å
119I54.4Low57.9Low137 Ų137129 Ų12970%0.70365%0.649SS**THydrogen-bonded Turntrans-75-26.7-179.5-60.1166.4000112.5S117S117-I119 PolarHBondContact O-N 2.77Å
120Q49.4Very low55.5Low129 Ų129126.2 Ų126.260%0.60365%0.646SS**SBendtrans-93.8-20.9-178.2-81.9178.2-14.700114.7S117 R122 M123S117-Q120 PolarHBondContact O-N 3.38Å; Q120-R122 PolarHBondContact O-N 2.8Å; Q120-R122 VanDerWaalsContact O-N 3.09Å; Q120-M123 PolarHBondContact O-N 2.95Å
121A49.3Very low53.1Low69 Ų69127.4 Ų127.457%0.5766%0.664SS**THydrogen-bonded Turntrans-64.4-15.4177.100000113.6
122R52.9Low51Low187 Ų187133.6 Ų133.671%0.70669%0.689SS**THydrogen-bonded Turntrans-90.8-11.5178.8-141.6-174.4-171.3-158.85.2114.4Q120Q120-R122 PolarHBondContact O-N 2.8Å; Q120-R122 VanDerWaalsContact O-N 3.09Å
123M54.8Low49.3Very low161 Ų161132.3 Ų132.379%0.79370%0.698SS**THydrogen-bonded Turntrans-83.2-23.9178.8-75.7-176.2171.400112.9Q120Q120-M123 PolarHBondContact O-N 2.95Å
124E56.1Low48.3Very low186 Ų186134.9 Ų134.987%0.86971%0.713SS**SBendtrans-100.1-7.9-178.3-133.6165.5144.800113.8
125Q50.1Low48.3Very low158 Ų158134.4 Ų134.474%0.73871%0.711SS**  trans-102.761.7168.4-64.9-174.58.500110.3P127Q125-P127 WeakPolarHBondContact O-CD 3.33Å
126Q41.3Very low48.6Very low174 Ų174137.1 Ų137.181%0.81372%0.718SS**  trans-97.898.1155.6-156.6173.832.700106.7T128Q126-T128 PolarHBondContact O-N 3.47Å; Q126-T128 VanDerWaalsContact O-N 3.13Å
127P47.3Very low49.7Very low111 Ų111140.4 Ų140.472%0.72174%0.738SS**  trans-64.8120171.9-823.8000106.6Q125 R129Q125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-R129 PolarHBondContact O-N 3.21Å
128T43.9Very low50.9Low138 Ų138143.7 Ų143.785%0.84776%0.758SS**  trans-45.3103.7164.541.40000109.1Q126Q126-T128 PolarHBondContact O-N 3.47Å; Q126-T128 VanDerWaalsContact O-N 3.13Å
129R45.4Very low51.7Low236 Ų236142.3 Ų142.389%0.89176%0.764SS**  trans-66.8128176.6-159.2-177.6-136.8-151.34.3108.1P127P127-R129 PolarHBondContact O-N 3.21Å
130P46.2Very low52.5Low90 Ų90141.5 Ų141.558%0.58477%0.768SS**  trans-67.6151.5175.728.3-32.4000110.1Q132P130-Q132 PolarHBondContact O-N 3.23Å
131P42Very low53.6Low129 Ų129140.9 Ų140.984%0.83878%0.775SS**  trans-73.6104.5-176.630.5-30.9000108.7T133P131-T133 PolarHBondContact O-N 3.18Å
132Q46Very low54.3Low183 Ų183143.5 Ų143.586%0.85579%0.786SS**  trans-88.2109.8168-72.6-171-2.300109.2P130P130-Q132 PolarHBondContact O-N 3.23Å
133T43.2Very low54.6Low124 Ų124143.3 Ų143.376%0.76180%0.796SS**  trans-48.9156.4163.648.40000112.4P131P131-T133 PolarHBondContact O-N 3.18Å
134S46.7Very low55.4Low118 Ų118141.7 Ų141.783%0.82580%0.797SS**  trans93.671.8160.2-40.20000117
135Q53.2Low55.6Low189 Ų189143.1 Ų143.188%0.88380%0.801SS**  trans-140.9135.7149.4-112.6-177.5-13.700110.8
136P56.7Low55.4Low114 Ų114146.5 Ų146.574%0.7481%0.807SS**PPolyproline II helixtrans-77.2156.1-174.732.8-33.1000111.5
137P71.2Confident55.9Low119 Ų119142.8 Ų142.877%0.77381%0.806SS**PPolyproline II helixtrans-72.7149.4-174.329.6-34000112.4
138P68.1Low56.2Low118 Ų118142.1 Ų142.177%0.76680%0.801SS**PPolyproline II helixtrans-72.2154.7174.730.4-33.2000111.9
139P67.2Low56.8Low118 Ų118142.5 Ų142.577%0.76680%0.804SS**PPolyproline II helixtrans-73.6154-174.530.4-34.4000112.9
140P71.2Confident57.4Low120 Ų120141.3 Ų141.378%0.77981%0.805SS**PPolyproline II helixtrans-76.2150.3-177.830.6-34.1000112.9
141P73.1Confident57.9Low117 Ų117142.4 Ų142.476%0.7681%0.812SS**PPolyproline II helixtrans-73151.7177.129.5-33.7000112.6
142P63.4Low58.5Low124 Ų124141.4 Ų141.481%0.80581%0.806SS**PPolyproline II helixtrans-77137.1-176.630.9-32.5000112.1
143M60.4Low58.8Low183 Ų183139.9 Ų139.990%0.90181%0.808SS**PPolyproline II helixtrans-79.9135.1175.3-61.6-179.6-81.500111.4
144P70.2Confident59.3Low126 Ų126137.2 Ų137.282%0.81881%0.806SS**PPolyproline II helixtrans-103.5148.2153.818.1-1.5000112.2
145F60Low59.5Low216 Ų216137.4 Ų137.495%0.94780%0.804SS**PPolyproline II helixtrans-61.1152.1-169.6-100.2-114.3000115.9
146R47Very low59.1Low230 Ų230137.7 Ų137.787%0.86880%0.803SS**PPolyproline II helixtrans-82.1141.8-177.4-175.7-175.4-172.2-174.73.1112.5
147A51.9Low59Low96 Ų96139.2 Ų139.279%0.79381%0.81SS**  trans-150.6148.8144.900000111.3
148P53.1Low58.3Low97 Ų97138.4 Ų138.463%0.6381%0.807SS**  trans-129137.8-143.234.5-16.2000115.9
149T56.2Low57.1Low146 Ų146138.8 Ų138.890%0.89681%0.809SS**  trans-163.7102.4151.731.80000113.9
150K58.7Low56.6Low210 Ų210140.7 Ų140.791%0.91381%0.812SS**  trans35.9155139.1-78-173.3177.3178.70125.1
151P57.3Low55.7Low114 Ų114143.4 Ų143.474%0.7481%0.812SS**  trans-125.6-145.1-142.846-27.8000112.3
152P53.9Low54.3Low108 Ų108145.4 Ų145.470%0.70182%0.816SS**  cis-129.5161.3-35.634.9-19000113.5
153V52.8Low53.8Low150 Ų150146.8 Ų146.891%0.90982%0.817SS**  trans-167.9121.5140.2179.50000111
154G53.9Low53.4Low68 Ų68143.8 Ų143.870%0.70181%0.811SS**  trans88.1143.6134.100000121.3
155P49.5Very low52.4Low123 Ų123143 Ų14380%0.79981%0.809SS**  trans-112.7139.5-154.733.5-16.4000116.8
156K44.7Very low52.4Low195 Ų195138.2 Ų138.285%0.84880%0.799SS**  trans40.2111.5133.2-58.2-178.2175.8-179.80120.2
157T55.1Low53.1Low146 Ų146136 Ų13690%0.89680%0.798SS**  -137.4140.7128.961.40000109.1
158S56.6Low53.8Low102 Ų102135.9 Ų135.971%0.71379%0.79SS**  trans-104.1150.1-167.3-45.60000111.8
159P43.7Very low54.7Low125 Ų125137.7 Ų137.781%0.81279%0.79SS**  trans-111.7121.7151.231.8-18.9000109.8
160L55.9Low55.7Low159 Ų159137.5 Ų137.583%0.83278%0.783SS**  trans-130146.1167.9-64.3172.6000107.8
161K51.6Low56.9Low177 Ų177132.6 Ų132.677%0.7777%0.766SS**  cis-179.3124.5-23.7174.7163.6174.6179.20101.7N163K161-N163 PolarHBondContact O-N 3.31Å
162D44.4Very low58.1Low158 Ų158129.8 Ų129.885%0.84575%0.745SS**  trans-47.2133.7176.1-76-78.1000112.3
163N52.7Low59.3Low153 Ų153128.4 Ų128.482%0.81873%0.731SS**  trans-117.2119.3161.9-84.5-38.7000107.6K161K161-N163 PolarHBondContact O-N 3.31Å
164P51.9Low60.8Low121 Ų121127 Ų12779%0.78671%0.713SS**PPolyproline II helixtrans-73.2130.5171.830.8-29.6000108.8
165S49.6Very low62.4Low110 Ų110131.2 Ų131.277%0.76971%0.708SS**PPolyproline II helixtrans-61.1140.6173.2-178.90000110.5E167S165-E167 PolarHBondContact O-N 3.31Å
166P59.5Low64Low115 Ų115130.8 Ų130.875%0.74770%0.695SS**PPolyproline II helixtrans-69.4121.517728.7-31.4000109.5
167E61.7Low66Low182 Ų182126.3 Ų126.385%0.8568%0.68SS**PPolyproline II helixtrans-60.4133168.5-102174.8125.800109.5S165 Q169S165-E167 PolarHBondContact O-N 3.31Å; E167-Q169 PolarHBondContact O-N 2.94Å
168P66.1Low67.5Low95 Ų95127.2 Ų127.262%0.61767%0.667SS**PPolyproline II helixtrans-65.7121.2174.627-31.1000109L170 I173P168-L170 PolarHBondContact O-N 2.48Å; P168-I173 HydrophobicContact CB-CD1 4.32Å; P168-I173 HydrophobicContact CG-CD1 4.46Å
169Q72.2Confident68.9Low134 Ų134124.9 Ų124.963%0.62665%0.653SS**PPolyproline II helixtrans-62.1123.8174.3-69.9-169.8-8400108.8E167 D171 D172E167-Q169 PolarHBondContact O-N 2.94Å; Q169-D171 PolarHBondContact O-N 2.75Å; Q169-D172 PolarHBondContact O-N 2.77Å
170L78.9Confident70.7Confident142 Ų142122.4 Ų122.474%0.74363%0.631SS**Hα-helixtrans-50.8-26.3178.8-71.9166.7000113P168 I173 K174P168-L170 PolarHBondContact O-N 2.48Å; L170-I173 PolarHBondContact O-N 2.89Å; L170-K174 WeakPolarHBondContact O-CB 3.22Å; L170-K174 PolarHBondContact O-N 2.97Å
171D82.7Confident72.1Confident107 Ų107119 Ų11957%0.57262%0.617SS**Hα-helixtrans-64.1-36.1175.9-61.8-57.5000113.5Q169 K174 R175Q169-D171 PolarHBondContact O-N 2.75Å; D171-K174 PolarHBondContact O-N 3.44Å; D171-R175 WeakPolarHBondContact O-CB 3.46Å; D171-R175 PolarHBondContact O-N 3.45Å
172D82.2Confident73.6Confident55 Ų55115 Ų11529%0.29460%0.604SS.*Hα-helixtrans-69.8-42.9177.2-76.6-28.5000110.8Q169 K174 R175 E176Q169-D172 PolarHBondContact O-N 2.77Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-K174 PolarHBondContact O-N 2.97Å; D172-R175 PolarHBondContact O-N 2.72Å; D172-R175 IonicContact OD1-CZ 3.16Å; D172-R175 IonicContact OD1-NH1 2.64Å; D172-R175 PolarHBondContact OD1-NH1 3.23Å; D172-R175 IonicContact OD1-NH2 2.73Å; D172-R175 PolarHBondContact OD1-NH2 3.16Å; D172-E176 WeakPolarHBondContact O-CB 3.3Å; D172-E176 PolarHBondContact O-N 2.75Å
173I80.3Confident75.4Confident79 Ų79112 Ų11241%0.40559%0.587SS.*Hα-helixtrans-62.4-43.1176.2-60.5171.8000109.9P168 L170 E176 L177P168-I173 HydrophobicContact CB-CD1 4.32Å; P168-I173 HydrophobicContact CG-CD1 4.46Å; L170-I173 PolarHBondContact O-N 2.89Å; I173-E176 PolarHBondContact O-N 3.08Å; I173-L177 HydrophobicContact CG2-CD1 4Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CB 3.15Å; I173-L177 WeakPolarHBondContact O-CG 3.46Å; I173-L177 PolarHBondContact O-N 3.31Å
174K83.6Confident76.6Confident120 Ų120109.6 Ų109.652%0.52257%0.573SS.*Hα-helixtrans-65.7-38.7177.8-173177.1-179.7179.90112.3L170 D171 D172 R178L170-K174 WeakPolarHBondContact O-CB 3.22Å; L170-K174 PolarHBondContact O-N 2.97Å; D171-K174 PolarHBondContact O-N 3.44Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-K174 PolarHBondContact O-N 2.97Å; K174-R178 WeakPolarHBondContact O-CG 3.29Å; K174-R178 PolarHBondContact O-N 2.65Å; K174-R178 VanDerWaalsContact O-N 3.16Å
175R88Confident77.9Confident158 Ų158110 Ų11060%0.59656%0.564SS**Hα-helixtrans-66.1-42.5176.1-172.9175.868.1-115.2-4.9111.2D171 D172 R178 A179D171-R175 WeakPolarHBondContact O-CB 3.46Å; D171-R175 PolarHBondContact O-N 3.45Å; D172-R175 PolarHBondContact O-N 2.72Å; D172-R175 IonicContact OD1-CZ 3.16Å; D172-R175 IonicContact OD1-NH1 2.64Å; D172-R175 PolarHBondContact OD1-NH1 3.23Å; D172-R175 IonicContact OD1-NH2 2.73Å; D172-R175 PolarHBondContact OD1-NH2 3.16Å; R175-R178 PolarHBondContact O-N 3.11Å; R175-A179 PolarHBondContact O-N 3.45Å; R175-A179 VanDerWaalsContact O-N 3.17Å
176E83.5Confident79Confident114 Ų114111.6 Ų111.653%0.53356%0.559SS.*Hα-helixtrans-67.6-42.2178.6-170.9141.6-146.500112D172 I173 R178 A179 E180D172-E176 WeakPolarHBondContact O-CB 3.3Å; D172-E176 PolarHBondContact O-N 2.75Å; I173-E176 PolarHBondContact O-N 3.08Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.81Å; E176-A179 PolarHBondContact O-N 2.9Å; E176-A179 VanDerWaalsContact O-N 3.15Å; E176-E180 PolarHBondContact O-N 2.85Å
177L86.4Confident79.3Confident100 Ų100112.5 Ų112.552%0.52456%0.555SS.*Hα-helixtrans-60.6-37.7174.1-76.4169.2000112.8I173 E180 V181I173-L177 HydrophobicContact CG2-CD1 4Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CB 3.15Å; I173-L177 WeakPolarHBondContact O-CG 3.46Å; I173-L177 PolarHBondContact O-N 3.31Å; L177-E180 PolarHBondContact O-N 2.8Å; L177-V181 WeakPolarHBondContact O-CG2 3.11Å; L177-V181 PolarHBondContact O-N 2.89Å
178R86.9Confident79.5Confident166 Ų166108.4 Ų108.463%0.62655%0.547SS*.Hα-helixtrans-65.5-40.4174.7-77.2-179.4176.2-177.2-4112.1K174 R175 E176 V181 D182K174-R178 WeakPolarHBondContact O-CG 3.29Å; K174-R178 PolarHBondContact O-N 2.65Å; K174-R178 VanDerWaalsContact O-N 3.16Å; R175-R178 PolarHBondContact O-N 3.11Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.81Å; R178-V181 PolarHBondContact O-N 2.78Å; R178-D182 PolarHBondContact O-N 3.16Å; R178-D182 VanDerWaalsContact O-N 3.13Å
179A85.4Confident78.9Confident52 Ų52108.5 Ų108.543%0.4355%0.55SS..Hα-helixtrans-65.6-37.6177.600000112.3R175 E176 D182 I183R175-A179 PolarHBondContact O-N 3.45Å; R175-A179 VanDerWaalsContact O-N 3.17Å; E176-A179 PolarHBondContact O-N 2.9Å; E176-A179 VanDerWaalsContact O-N 3.15Å; A179-D182 PolarHBondContact O-N 3.15Å; A179-I183 VanDerWaalsContact O-CG1 3.31Å; A179-I183 WeakPolarHBondContact O-CG1 3.14Å; A179-I183 PolarHBondContact O-N 2.86Å
180E82Confident77.8Confident73 Ų73106.7 Ų106.734%0.34155%0.552SS.*Hα-helixtrans-67.7-35.5176-70.5-157.6132.400112.9K118 E176 L177 I183 I184K118-E180 IonicContact NZ-OE1 2.63Å; K118-E180 PolarHBondContact NZ-OE1 2.8Å; K118-E180 IonicContact NZ-OE2 2.79Å; K118-E180 PolarHBondContact NZ-OE2 2.71Å; E176-E180 PolarHBondContact O-N 2.85Å; L177-E180 PolarHBondContact O-N 2.8Å; E180-I183 PolarHBondContact O-N 2.89Å; E180-I184 WeakPolarHBondContact O-CG1 3.22Å; E180-I184 PolarHBondContact O-N 3.29Å
181V85Confident76.4Confident89 Ų89105.6 Ų105.654%0.53956%0.556SS.*Hα-helixtrans-64.8-45.4174.9172.50000110.9L177 R178 I183 I184 E185L177-V181 WeakPolarHBondContact O-CG2 3.11Å; L177-V181 PolarHBondContact O-N 2.89Å; R178-V181 PolarHBondContact O-N 2.78Å; V181-I183 VanDerWaalsContact C-N 3.28Å; V181-I183 PolarHBondContact O-N 2.79Å; V181-I184 PolarHBondContact O-N 2.95Å; V181-I184 VanDerWaalsContact O-N 3.16Å; V181-E185 PolarHBondContact O-N 3.28Å
182D82.7Confident74.7Confident92 Ų92103.9 Ų103.949%0.49256%0.564SS.*Hα-helixtrans-59.1-38.1176.9-81.511.9000112R178 A179 E185 Q186R178-D182 PolarHBondContact O-N 3.16Å; R178-D182 VanDerWaalsContact O-N 3.13Å; A179-D182 PolarHBondContact O-N 3.15Å; D182-E185 PolarHBondContact O-N 3.43Å; D182-Q186 WeakPolarHBondContact O-CG 3.31Å; D182-Q186 PolarHBondContact O-N 3.47Å
183I82.5Confident72.9Confident96 Ų96107 Ų10749%0.49259%0.59SS.*Hα-helixtrans-65.3-42.7177.3-67.3165.2000111A179 E180 V181 E185 Q186 M187A179-I183 VanDerWaalsContact O-CG1 3.31Å; A179-I183 WeakPolarHBondContact O-CG1 3.14Å; A179-I183 PolarHBondContact O-N 2.86Å; E180-I183 PolarHBondContact O-N 2.89Å; V181-I183 VanDerWaalsContact C-N 3.28Å; V181-I183 PolarHBondContact O-N 2.79Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-Q186 PolarHBondContact O-N 2.84Å; I183-M187 HydrophobicContact CG2-CE 4.28Å; I183-M187 WeakPolarHBondContact O-CG 3.49Å; I183-M187 PolarHBondContact O-N 3.01Å; I183-M187 VanDerWaalsContact O-N 3.11Å
184I78.3Confident71.3Confident102 Ų102108.3 Ų108.352%0.52361%0.606SS.*Hα-helixtrans-67.1-37.6179.1-65165.9000110.9E180 V181 M187 S188E180-I184 WeakPolarHBondContact O-CG1 3.22Å; E180-I184 PolarHBondContact O-N 3.29Å; V181-I184 PolarHBondContact O-N 2.95Å; V181-I184 VanDerWaalsContact O-N 3.16Å; I184-M187 HydrophobicContact CG1-CE 4.28Å; I184-M187 PolarHBondContact O-N 3.24Å; I184-S188 PolarHBondContact O-N 2.93Å; I184-S188 PolarHBondContact O-OG 2.85Å
185E78Confident69.8Low130 Ų130107.6 Ų107.661%0.60762%0.616SS**Hα-helixtrans-68.5-37177.1-166.3170.7-170.900112.1V181 D182 I183 M187 S188 S189V181-E185 PolarHBondContact O-N 3.28Å; D182-E185 PolarHBondContact O-N 3.43Å; I183-E185 VanDerWaalsContact C-N 3.34Å; E185-M187 VanDerWaalsContact C-N 3.32Å; E185-M187 PolarHBondContact O-N 3.13Å; E185-S188 PolarHBondContact O-N 3.43Å; E185-S188 VanDerWaalsContact O-N 3.1Å; E185-S189 PolarHBondContact O-OG 2.91Å
186Q73.6Confident68.1Low142 Ų142105 Ų10566%0.66462%0.622SS**Hα-helixtrans-65-34.2172.4-74.6-178.529.500112.8D182 I183 S188 S189D182-Q186 WeakPolarHBondContact O-CG 3.31Å; D182-Q186 PolarHBondContact O-N 3.47Å; I183-Q186 PolarHBondContact O-N 2.84Å; Q186-S188 PolarHBondContact O-N 3.39Å; Q186-S189 PolarHBondContact O-OG 3.22Å
187M66Low66.6Low134 Ų134106.2 Ų106.266%0.6663%0.632SS**Hα-helixtrans-72.4-15.4174-67.8-170.1-6200113.2I183 I184 E185I183-M187 HydrophobicContact CG2-CE 4.28Å; I183-M187 WeakPolarHBondContact O-CG 3.49Å; I183-M187 PolarHBondContact O-N 3.01Å; I183-M187 VanDerWaalsContact O-N 3.11Å; I184-M187 HydrophobicContact CG1-CE 4.28Å; I184-M187 PolarHBondContact O-N 3.24Å; E185-M187 VanDerWaalsContact C-N 3.32Å; E185-M187 PolarHBondContact O-N 3.13Å
188S65Low65.1Low97 Ų97106.1 Ų106.168%0.67864%0.64SS**THydrogen-bonded Turntrans-98.2-3.3-175.2-55.90000114.2I184 E185 Q186I184-S188 PolarHBondContact O-N 2.93Å; I184-S188 PolarHBondContact O-OG 2.85Å; E185-S188 PolarHBondContact O-N 3.43Å; E185-S188 VanDerWaalsContact O-N 3.1Å; Q186-S188 PolarHBondContact O-N 3.39Å
189S52.6Low63.6Low96 Ų96106.1 Ų106.167%0.67165%0.647SS**SBendtrans-112.517.3-171.647.70000115.4E185 Q186E185-S189 PolarHBondContact O-OG 2.91Å; Q186-S189 PolarHBondContact O-OG 3.22Å
190S50.3Low62.1Low97 Ų97108.8 Ų108.868%0.67866%0.662SS**SBendtrans-12663.6-17850.80000114.7
191S49.6Very low60.7Low119 Ų119110 Ų11083%0.83268%0.679SS**  trans-177.4101.5144.853.30000110.9
192G46.1Very low59.4Low71 Ų71111.6 Ų111.673%0.73269%0.694SS**  trans-87.7142.1162.200000110.9
193S44.2Very low57.7Low120 Ų120110.2 Ų110.284%0.83970%0.702SS**  162.9123.6128.4-66.30000112.7
194S48.5Very low56.6Low107 Ų107110.7 Ų110.775%0.74871%0.714SS**  trans70.1111.5143.859.70000123.9
195S51.1Low55.6Low105 Ų105112.4 Ų112.473%0.73472%0.724SS**  89.2122.7117.767.30000123
196S52.8Low54.8Low102 Ų102112.6 Ų112.671%0.71373%0.729SS**  trans71.9146138.1-66.50000118.8
197D51.6Low54Low140 Ų140111.9 Ų111.975%0.74973%0.73SS**  cis-171.6154.6-12.7-100.4-49.1000105.5
198S55.7Low53.5Low98 Ų98110.1 Ų110.169%0.68573%0.731SS**  trans89.8108.7148-570000124
199E54.1Low52.9Low166 Ų166110.4 Ų110.478%0.77673%0.733SS**  68135.5115.1-51.7-44.5109.700124.9
200S53.5Low53Low108 Ų108111.2 Ų111.276%0.75574%0.738SS**  trans85.2141.1146.4-49.60000118.8
201S54Low53.2Low98 Ų98111.7 Ų111.769%0.68574%0.742SS**  cis173.2154.9-29.342.10000107.1
202S56.7Low53.3Low123 Ų123110.1 Ų110.186%0.8674%0.744SS**  trans82.9135.7155.9-44.70000117.9
203G48.4Very low53.6Low64 Ų64109.7 Ų109.766%0.6674%0.74SS**  cis173.7151.31.500000110.5
204S57.7Low54.3Low106 Ų106113.6 Ų113.674%0.74175%0.745SS**  trans40.1151.7137.759.40000121.9
205D57.8Low54.7Low137 Ų137114.7 Ų114.773%0.73374%0.742SS**  cis-180165-14.8-90.2-39.7000105.5
206D60.8Low54.5Low134 Ų134116.2 Ų116.272%0.71774%0.742SS**  trans83.2113.6140.3-70.1-20000124.3
207D57.3Low54Low128 Ų128114.6 Ų114.668%0.68474%0.741SS**  103.5120.8108.9-92.4-49.3000124.1
208S55.1Low54.3Low97 Ų97114.2 Ų114.268%0.67875%0.747SS**  63.1155.4127.1-73.30000121.8
209S54.2Low53.8Low102 Ų102114.5 Ų114.571%0.71376%0.755SS**  cis176.1153.8-21.1-88.70000106.8
210S53.1Low53.4Low113 Ų113112 Ų11279%0.7976%0.756SS**  trans72.6152.4146.6-150.50000118.8
211S54Low53.5Low108 Ų108112.4 Ų112.476%0.75576%0.756SS**  cis-175.8159.96.4160000110.3
212G51.9Low53.3Low85 Ų85113.5 Ų113.588%0.87676%0.76SS**  trans90136.6143.700000115.7
213G52.8Low52.7Low62 Ų62115.9 Ų115.964%0.63976%0.758SS**  cis158.3156.65.900000108.1
214E59.2Low52.8Low203 Ų203118.4 Ų118.495%0.94976%0.763SS**  trans67.8145.7152.89.7-169.3118.400117.6
215D56.5Low52.2Low130 Ų130118.1 Ų118.170%0.69576%0.761SS**  cis-171154.66.3-179.635.6000109.9
216N47.4Very low51.9Low137 Ų137119.5 Ų119.573%0.73376%0.763SS**  trans54.5113.8152-84.2-31.8000125.4
217G43.1Very low51Low67 Ų67122.2 Ų122.269%0.69177%0.771SS**  96.3152.995.300000120.2
218P58Low50.5Low133 Ų133124.1 Ų124.186%0.86478%0.776SS**  trans-125.7166.8-133.438.6-23.6000116
219A44.5Very low50.3Low103 Ų103123.8 Ų123.885%0.85177%0.771SS**  trans168.8128.5139.200000114.2
220S45.6Very low49.7Very low114 Ų114129 Ų12980%0.79778%0.777SS**  trans-85.4-164.5166.9-25.70000111.1
221P56.2Low49.5Very low117 Ų117130.6 Ų130.676%0.7678%0.776SS**  cis-134.3-141.7-4036-13.9000109.7
222P48.5Very low49Very low120 Ų120130.6 Ų130.678%0.77978%0.776SS**  -120.1165-50.830.1-10.6000114.7
223Q45.5Very low49Very low173 Ų173138.1 Ų138.181%0.80878%0.778SS**  trans-79.1167.3161-90.2-170.4-38.200112
224P50.4Low48.6Very low117 Ų117141.3 Ų141.376%0.7679%0.787SS**  -150.9146.8110.538.4-20.7000118.4
225S43.7Very low48Very low101 Ų101136.4 Ų136.471%0.70678%0.782SS**  trans64.8106.5132.965.80000122.9
226H51.2Low47.3Very low166 Ų166137.4 Ų137.477%0.76979%0.792SS**  trans-27.6152146.2-53.5-76.2000119.5
227Q43.6Very low47.3Very low190 Ų190135.2 Ų135.289%0.88879%0.793SS**  trans-160.9104.5133.6-100.416846.200107.6
228Q46.9Very low47Very low169 Ų169139.7 Ų139.779%0.7980%0.801SS**  87.4150.488.4-75.7-73.5-44.100114.5
229P50.9Low45.9Very low90 Ų90137 Ų13758%0.58480%0.798SS**  trans-132.9161.3-133.541.9-27.4000114.7
230Y40Very low45.8Very low212 Ų212138 Ų13883%0.83179%0.794SS**  trans-176.3123.6148.737.4-98.8000112.3
231N48.9Very low45.6Very low146 Ų146138.8 Ų138.878%0.78180%0.799SS**  171107.3128.3-96.5-21.9000113.7
232S43.7Very low45.3Very low107 Ų107141.9 Ų141.975%0.74880%0.795SS**  32.9110.5121.3-47.50000120.8
233R52.7Low45.5Very low244 Ų244140.6 Ų140.692%0.92179%0.787SS**  -179.6147117.6-109.8174.1136.5-179.4-5.7112.3
234P44.7Very low45.9Very low128 Ų128140 Ų14083%0.83178%0.784SS**  trans-89135176.634.5-27.9000110.5
235A46.5Very low46.3Very low100 Ų100136.5 Ų136.583%0.82677%0.769SS**  trans-125114.6169.300000109.3
236V41.1Very low47.6Very low152 Ų152134.7 Ų134.792%0.92176%0.757SS**  trans-64.8120.8166.5-99.80000109.6
237A48Very low48.8Very low91 Ų91130.5 Ų130.575%0.75274%0.74SS**  trans-164.6116.7157.400000111.7
238N37.1Very low50.6Low160 Ų160127.3 Ų127.386%0.85673%0.725SS**  trans49.4104.5143.3-71.8-5.6000120.8
239G33.8Very low52.3Low77 Ų77121.4 Ų121.479%0.79470%0.699SS**  60.484.5110.100000117.2
240T42.4Very low53.8Low125 Ų125121.1 Ų121.177%0.76769%0.691SS**  trans-152.7118.4143.220.10000108R242T240-R242 VanDerWaalsContact C-N 3.25Å; T240-R242 PolarHBondContact O-N 3.02Å
241S42.1Very low56Low129 Ų129114.6 Ų114.690%0.90267%0.67SS**  trans-62.979.3173.248.40000110.5
242R49.7Very low57.8Low182 Ų182109.7 Ų109.769%0.68765%0.646SS**  trans-85.4139.4167.1-78.4179.474.6-173.23.6108.9T240 Q244T240-R242 VanDerWaalsContact C-N 3.25Å; T240-R242 PolarHBondContact O-N 3.02Å; R242-Q244 PolarHBondContact O-N 3.06Å
243P52Low59.8Low94 Ų94105.3 Ų105.361%0.6161%0.614SS**  trans-66.2103.8-175.527.8-32.3000108.4G245 S246P243-G245 PolarHBondContact O-N 3.09Å; P243-S246 PolarHBondContact O-N 3.26Å
244Q53.9Low61.4Low160 Ų16098.8 Ų98.875%0.74859%0.589SS**Hα-helixtrans-55.4-21.6-175.1-169.4173.7-25.400112.7R242R242-Q244 PolarHBondContact O-N 3.06Å
245G60.5Low63.3Low43 Ų4398.7 Ų98.744%0.44358%0.582SS.*Hα-helixtrans-75.4-29176.100000115.6P243 N247 Q248 L249P243-G245 PolarHBondContact O-N 3.09Å; G245-N247 PolarHBondContact O-N 3.11Å; G245-Q248 PolarHBondContact O-N 3.34Å; G245-L249 WeakPolarHBondContact O-CB 3.47Å; G245-L249 PolarHBondContact O-N 3Å
246S70.2Confident65Low64 Ų6496.3 Ų96.345%0.44856%0.555SS.*Hα-helixtrans-68.3-40.4-173.8174.60000112.5P243 Q248 L249 M250P243-S246 PolarHBondContact O-N 3.26Å; S246-Q248 VanDerWaalsContact C-N 3.31Å; S246-Q248 PolarHBondContact O-N 2.9Å; S246-L249 WeakPolarHBondContact O-CB 3.47Å; S246-L249 PolarHBondContact O-N 3.28Å; S246-M250 PolarHBondContact O-N 3.4Å
247N76.3Confident66.9Low78 Ų7890.6 Ų90.642%0.41752%0.519SS..Hα-helixtrans-64.3-38.1176-69.5-48.6000111.7G245 N251G245-N247 PolarHBondContact O-N 3.11Å; N247-N251 WeakPolarHBondContact O-CB 3.49Å; N247-N251 PolarHBondContact O-N 3.14Å; N247-N251 PolarHBondContact O-ND2 2.63Å; N247-N251 VanDerWaalsContact O-ND2 3.08Å; N247-N251 PolarHBondContact O-OD1 3.3Å
248Q81.5Confident68.1Low122 Ų12292.8 Ų92.857%0.5751%0.514SS*.Hα-helixtrans-64.9-43.4176.6-66.1-176.7-10.900110.9G245 S246 N251 T252G245-Q248 PolarHBondContact O-N 3.34Å; S246-Q248 VanDerWaalsContact C-N 3.31Å; S246-Q248 PolarHBondContact O-N 2.9Å; Q248-N251 PolarHBondContact O-N 3.19Å; Q248-T252 PolarHBondContact O-N 2.96Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q248-T252 VanDerWaalsContact O-OG1 3.13Å
249L82.1Confident69.7Low46 Ų4689.4 Ų89.424%0.24150%0.495CS..Hα-helixtrans-59.9-49.5178-166.7139.3000111.9L18 G245 S246 N251 T252 L253L18-L249 HydrophobicContact CB-CD1 4.44Å; L18-L249 HydrophobicContact CD1-CD1 4.29Å; L18-L249 HydrophobicContact CD1-CD2 4.35Å; L18-L249 HydrophobicContact CD1-CG 3.68Å; L18-L249 HydrophobicContact CD2-CD2 4.35Å; L18-L249 HydrophobicContact CD2-CG 4.36Å; L18-L249 HydrophobicContact CG-CD1 3.76Å; L18-L249 HydrophobicContact CG-CD2 4.13Å; L18-L249 HydrophobicContact CG-CG 3.61Å; G245-L249 WeakPolarHBondContact O-CB 3.47Å; G245-L249 PolarHBondContact O-N 3Å; S246-L249 WeakPolarHBondContact O-CB 3.47Å; S246-L249 PolarHBondContact O-N 3.28Å; L249-N251 VanDerWaalsContact C-N 3.3Å; L249-N251 PolarHBondContact O-N 3.01Å; L249-T252 WeakPolarHBondContact O-CB 3.44Å; L249-T252 PolarHBondContact O-N 3.43Å; L249-L253 HydrophobicContact CD2-CD1 3.89Å; L249-L253 WeakPolarHBondContact O-CG 3.3Å; L249-L253 PolarHBondContact O-N 3.27Å
250M83.7Confident71.2Confident83 Ų8390.8 Ų90.841%0.40949%0.493SS..Hα-helixtrans-62.9-36.1176.4-76.4-65-84.900112.6S246 L253 R254S246-M250 PolarHBondContact O-N 3.4Å; M250-L253 PolarHBondContact O-N 3.49Å; M250-L253 HydrophobicContact SD-CD1 4.39Å; M250-R254 WeakPolarHBondContact O-CB 3.31Å; M250-R254 VanDerWaalsContact O-CG 3.25Å; M250-R254 WeakPolarHBondContact O-CG 3.41Å; M250-R254 PolarHBondContact O-N 3.47Å
251N86.3Confident72.3Confident75 Ų7592.9 Ų92.940%0.40149%0.494SS..Hα-helixtrans-67.4-40.7175.6-68.5-20.4000111.8N247 Q248 L249 L253 R254 N255N247-N251 WeakPolarHBondContact O-CB 3.49Å; N247-N251 PolarHBondContact O-N 3.14Å; N247-N251 PolarHBondContact O-ND2 2.63Å; N247-N251 VanDerWaalsContact O-ND2 3.08Å; N247-N251 PolarHBondContact O-OD1 3.3Å; Q248-N251 PolarHBondContact O-N 3.19Å; L249-N251 VanDerWaalsContact C-N 3.3Å; L249-N251 PolarHBondContact O-N 3.01Å; N251-L253 VanDerWaalsContact C-N 3.35Å; N251-R254 PolarHBondContact O-N 3.35Å; N251-R254 PolarHBondContact OD1-NH1 3.08Å; N251-N255 WeakPolarHBondContact O-CB 3.25Å; N251-N255 PolarHBondContact O-N 3.41Å; N251-N255 PolarHBondContact O-ND2 3.39Å
252T86.1Confident73.1Confident44 Ų4492.2 Ų92.227%0.2749%0.489SS..Hα-helixtrans-59.1-47.6173.6-59.30000110.7L18 F22 Q248 L249 R254 N255 D256L18-T252 HydrophobicContact CD1-CG2 3.86Å; F22-T252 HydrophobicContact CB-CG2 4.1Å; F22-T252 HydrophobicContact CD1-CG2 3.88Å; F22-T252 HydrophobicContact CG-CG2 4.42Å; Q248-T252 PolarHBondContact O-N 2.96Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q248-T252 VanDerWaalsContact O-OG1 3.13Å; L249-T252 WeakPolarHBondContact O-CB 3.44Å; L249-T252 PolarHBondContact O-N 3.43Å; T252-R254 PolarHBondContact O-N 3.48Å; T252-N255 PolarHBondContact O-N 3.01Å; T252-D256 WeakPolarHBondContact O-CB 3.41Å; T252-D256 PolarHBondContact O-N 3.12Å
253L85.8Confident73.4Confident15 Ų1586.6 Ų86.68%0.07949%0.488CS..Hα-helixtrans-61.5-44.2176.8-69.9177.9000112.6L18 F22 L99 L249 M250 N251 N255 D256 L257 L259L18-L253 HydrophobicContact CD1-CD2 4.34Å; L18-L253 HydrophobicContact CD1-CG 4.26Å; L18-L253 HydrophobicContact CD2-CD1 4.36Å; L18-L253 HydrophobicContact CD2-CD2 3.66Å; L18-L253 HydrophobicContact CD2-CG 4.1Å; F22-L253 HydrophobicContact CE1-CD2 3.91Å; F22-L253 HydrophobicContact CZ-CD2 4.12Å; L99-L253 HydrophobicContact CD2-CD2 4.01Å; L249-L253 HydrophobicContact CD2-CD1 3.89Å; L249-L253 WeakPolarHBondContact O-CG 3.3Å; L249-L253 PolarHBondContact O-N 3.27Å; M250-L253 PolarHBondContact O-N 3.49Å; M250-L253 HydrophobicContact SD-CD1 4.39Å; N251-L253 VanDerWaalsContact C-N 3.35Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 2.98Å; L253-D256 PolarHBondContact O-N 2.87Å; L253-L257 HydrophobicContact CD2-CD1 4.14Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.25Å; L253-L257 PolarHBondContact O-N 2.92Å; L253-L259 HydrophobicContact CB-CD1 4.44Å
254R85.3Confident73.5Confident107 Ų10787.3 Ų87.340%0.40450%0.495SS..Hα-helixtrans-59.7-42.8175.7-76.8172.7-177.2145.7-3111.9M250 N251 T252 Q258M250-R254 WeakPolarHBondContact O-CB 3.31Å; M250-R254 VanDerWaalsContact O-CG 3.25Å; M250-R254 WeakPolarHBondContact O-CG 3.41Å; M250-R254 PolarHBondContact O-N 3.47Å; N251-R254 PolarHBondContact O-N 3.35Å; N251-R254 PolarHBondContact OD1-NH1 3.08Å; T252-R254 PolarHBondContact O-N 3.48Å; R254-Q258 WeakPolarHBondContact O-CA 3.38Å; R254-Q258 PolarHBondContact O-N 3.44Å
255N84.6Confident73.2Confident125 Ų12586.7 Ų86.767%0.66850%0.497SS*.Hα-helixtrans-68.8-43.4179.4-68.7-34.5000111.9N251 T252 L253N251-N255 WeakPolarHBondContact O-CB 3.25Å; N251-N255 PolarHBondContact O-N 3.41Å; N251-N255 PolarHBondContact O-ND2 3.39Å; T252-N255 PolarHBondContact O-N 3.01Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 2.98Å
256D82.1Confident73.2Confident50 Ų5089.6 Ų89.627%0.26751%0.51SS..Hα-helixtrans-78.9-40.9-174-9438.2000113.2F22 K101 T252 L253F22-D256 HydrophobicContact CE1-CB 4.36Å; K101-D256 IonicContact NZ-OD2 3.58Å; K101-D256 PolarHBondContact NZ-OD2 3.25Å; T252-D256 WeakPolarHBondContact O-CB 3.41Å; T252-D256 PolarHBondContact O-N 3.12Å; L253-D256 PolarHBondContact O-N 2.87Å
257L82.1Confident72.8Confident32 Ų3293.7 Ų93.717%0.16853%0.527CS..Hα-helixtrans-95.1-10.3-178.6-58.7177.5000112.3K84 L253 L259K84-L257 HydrophobicContact CB-CD2 4.06Å; K84-L257 VanDerWaalsContact CD-O 3.31Å; K84-L257 WeakPolarHBondContact CD-O 3.45Å; K84-L257 VanDerWaalsContact CE-O 3.25Å; K84-L257 WeakPolarHBondContact CE-O 3.02Å; K84-L257 PolarHBondContact NZ-O 2.92Å; K84-L257 VanDerWaalsContact NZ-O 3.12Å; L253-L257 HydrophobicContact CD2-CD1 4.14Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.25Å; L253-L257 PolarHBondContact O-N 2.92Å; L257-L259 HydrophobicContact CB-CD1 4.4Å; L257-L259 HydrophobicContact CB-CD2 3.71Å; L257-L259 HydrophobicContact CB-CG 3.74Å; L257-L259 HydrophobicContact CD1-CD1 4.24Å; L257-L259 HydrophobicContact CD1-CD2 4.33Å; L257-L259 HydrophobicContact CD1-CG 4.42Å; L257-L259 PolarHBondContact O-N 3.22Å
258Q72.9Confident72.1Confident137 Ų137101.2 Ų101.264%0.6457%0.567SS**  trans51.845.3-171.9-51.9169.6-1000110.9R254 S260R254-Q258 WeakPolarHBondContact O-CA 3.38Å; R254-Q258 PolarHBondContact O-N 3.44Å; Q258-S260 PolarHBondContact O-N 2.83Å
259L70.2Confident71.6Confident90 Ų90100.2 Ų100.247%0.47157%0.567SS.*  trans-66.3120174.8-55.6179000107.2L253 L257L253-L259 HydrophobicContact CB-CD1 4.44Å; L257-L259 HydrophobicContact CB-CD1 4.4Å; L257-L259 HydrophobicContact CB-CD2 3.71Å; L257-L259 HydrophobicContact CB-CG 3.74Å; L257-L259 HydrophobicContact CD1-CD1 4.24Å; L257-L259 HydrophobicContact CD1-CD2 4.33Å; L257-L259 HydrophobicContact CD1-CG 4.42Å; L257-L259 PolarHBondContact O-N 3.22Å
260S66.3Low71Confident105 Ų105103 Ų10373%0.73459%0.585SS**  trans-55.2144.5166.1-55.80000108.4Q258 S262Q258-S260 PolarHBondContact O-N 2.83Å; S260-S262 PolarHBondContact O-N 2.94Å
261E64.1Low70.3Confident169 Ų169104.1 Ų104.179%0.7959%0.594SS**  trans-55.2110.6165.654.8-156.9111.600108.2G263E261-G263 PolarHBondContact O-N 2.96Å
262S59.1Low69.4Low115 Ų115105.8 Ų105.880%0.80461%0.606SS**  trans-64.890163.8-57.90000105.7S260 S264S260-S262 PolarHBondContact O-N 2.94Å; S262-S264 PolarHBondContact O-N 2.8Å
263G55.8Low68.3Low64 Ų64109.7 Ų109.766%0.6663%0.627SS**  trans-55108.1165.300000106E261 D265E261-G263 PolarHBondContact O-N 2.96Å; G263-D265 VanDerWaalsContact C-N 3.29Å; G263-D265 PolarHBondContact O-N 2.93Å
264S55.6Low67.2Low110 Ų110116 Ų11677%0.76966%0.663SS**  trans-62103.8166.6-680000105.4S262 S266S262-S264 PolarHBondContact O-N 2.8Å; S264-S266 PolarHBondContact O-N 2.94Å
265D46.4Very low65.9Low146 Ų146116.6 Ų116.678%0.78168%0.682SS**  trans-71.884.1171.6-14813.1000106G263 D267G263-D265 VanDerWaalsContact C-N 3.29Å; G263-D265 PolarHBondContact O-N 2.93Å; D265-D267 PolarHBondContact O-N 3.5Å
266S60Low64.5Low104 Ų104116 Ų11673%0.72768%0.683SS**  trans-89.492.8167.346.90000106.7S264S264-S266 PolarHBondContact O-N 2.94Å
267D63.3Low63Low150 Ų150121.5 Ų121.580%0.80272%0.717SS**  trans-59.4125.8161-81.2-48.5000108.8D265D265-D267 PolarHBondContact O-N 3.5Å
268D60.2Low61.3Low236 Ų236129.6 Ų129.6100%1.26277%0.767SS**  trans-115.80161.8-170.353000108.3

Retrieved 268 of 268 residues in 168.5 ms (Link to these results)