A0A096N0T1_PAPAN Loading...

SLAM family member 7

AlphaFold DB , UniProt , Accession A0A096N0T1, Species PAPAN (Papio anubis, Olive baboon), Gene SLAMF7, Length 335 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
1M43.4Very low55.8Low248 Ų248106 Ų106100%1.22264%0.638SS**  097.80-79.2169.2166.900107.6
2A45.8Very low56.1Low105 Ų105108.8 Ų108.887%0.86863%0.63SS**  trans-85.8115.7177.100000108.1S4A2-S4 PolarHBondContact O-N 2.79Å
3G49.3Very low56.5Low60 Ų60108.5 Ų108.562%0.61962%0.623SS**  trans-65.1128.8173.900000109.9
4S53.8Low56.6Low61 Ų61108.2 Ų108.243%0.42762%0.618SS.*  trans-59.5131.1-178.5-176.90000111.3A2 T6 C7A2-S4 PolarHBondContact O-N 2.79Å; S4-T6 PolarHBondContact O-N 3.27Å; S4-T6 VanDerWaalsContact O-N 3.08Å; S4-T6 PolarHBondContact OG-OG1 3.18Å; S4-C7 PolarHBondContact O-N 2.89Å; S4-C7 VanDerWaalsContact O-N 3.11Å
5P59.2Low56.2Low100 Ų100113.4 Ų113.465%0.64962%0.623SS**Hα-helixtrans-63.4-16.7179.925.1-32.8000113.1C7 T9P5-C7 VanDerWaalsContact C-N 3.31Å; P5-C7 PolarHBondContact O-N 2.89Å; P5-T9 PolarHBondContact O-N 3.06Å
6T57.8Low55.8Low88 Ų88113.9 Ų113.954%0.5462%0.62SS.*Hα-helixtrans-69.8-23.917656.50000113.7S4 T9 L10S4-T6 PolarHBondContact O-N 3.27Å; S4-T6 VanDerWaalsContact O-N 3.08Å; S4-T6 PolarHBondContact OG-OG1 3.18Å; T6-T9 PolarHBondContact O-OG1 2.93Å; T6-T9 VanDerWaalsContact O-OG1 3.06Å; T6-L10 PolarHBondContact O-N 3.02Å
7C58.4Low55.4Low73 Ų73115 Ų11549%0.49362%0.624SS.*Hα-helixtrans-75.8-39.5178.3-164.90000111S4 P5 L10 I11S4-C7 PolarHBondContact O-N 2.89Å; S4-C7 VanDerWaalsContact O-N 3.11Å; P5-C7 VanDerWaalsContact C-N 3.31Å; P5-C7 PolarHBondContact O-N 2.89Å; C7-L10 PolarHBondContact O-N 3.14Å; C7-I11 WeakPolarHBondContact O-CD1 3.17Å; C7-I11 VanDerWaalsContact O-CG1 3.26Å; C7-I11 WeakPolarHBondContact O-CG1 3.04Å; C7-I11 PolarHBondContact O-N 3.45Å
8F58.5Low55Low142 Ų142114.2 Ų114.262%0.62362%0.624SS**Hα-helixtrans-68.4-35.7178.6-69.9-75.4000112.6Y12F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 PolarHBondContact O-N 2.89Å
9T66.9Low54.3Low81 Ų81111.2 Ų111.250%0.49762%0.622SS.*Hα-helixtrans-70.5-36.1175.954.80000112.2P5 T6 Y12 I13P5-T9 PolarHBondContact O-N 3.06Å; T6-T9 PolarHBondContact O-OG1 2.93Å; T6-T9 VanDerWaalsContact O-OG1 3.06Å; T9-Y12 PolarHBondContact O-N 3.4Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.39Å; T9-I13 PolarHBondContact O-N 2.79Å
10L59.6Low53.8Low110 Ų110111.4 Ų111.458%0.57663%0.631SS**Hα-helixtrans-69.4-38.8176.9-129.4126.3000112.2T6 C7 Y12 I13 L14T6-L10 PolarHBondContact O-N 3.02Å; C7-L10 PolarHBondContact O-N 3.14Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; L10-I13 PolarHBondContact O-N 2.8Å; L10-L14 HydrophobicContact CD2-CD1 4.15Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.45Å; L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.93Å
11I61.5Low53.2Low98 Ų98112.2 Ų112.250%0.50364%0.638SS.*Hα-helixtrans-63.7-40.9172.8-67.6163.3000110.5C7 L14 W15C7-I11 WeakPolarHBondContact O-CD1 3.17Å; C7-I11 VanDerWaalsContact O-CG1 3.26Å; C7-I11 WeakPolarHBondContact O-CG1 3.04Å; C7-I11 PolarHBondContact O-N 3.45Å; I11-L14 PolarHBondContact O-N 3.35Å; I11-W15 WeakPolarHBondContact O-CB 3.48Å; I11-W15 PolarHBondContact O-N 2.92Å
12Y59.2Low53.1Low140 Ų140104.9 Ų104.955%0.54962%0.617SS.*Hα-helixtrans-66-41.9177.8-158.7-96.3000112F8 T9 L10 W15 Q16F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 PolarHBondContact O-N 2.89Å; T9-Y12 PolarHBondContact O-N 3.4Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; Y12-W15 HydrophobicContact CD2-CE3 4.45Å; Y12-W15 HydrophobicContact CE2-CE3 4.44Å; Y12-W15 PolarHBondContact O-N 3.46Å; Y12-Q16 HydrophobicContact CD1-CG 4.35Å; Y12-Q16 HydrophobicContact CE1-CG 4.34Å; Y12-Q16 WeakPolarHBondContact O-CG 3.39Å; Y12-Q16 PolarHBondContact O-N 2.7Å; Y12-Q16 VanDerWaalsContact O-N 3.07Å
13I61.1Low53Low104 Ų104104.8 Ų104.853%0.53361%0.611SS.*Hα-helixtrans-67.3-37.8176.5-66.8170.1000111.4T9 L10 W15 Q16 L17T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.39Å; T9-I13 PolarHBondContact O-N 2.79Å; L10-I13 PolarHBondContact O-N 2.8Å; I13-W15 VanDerWaalsContact C-N 3.29Å; I13-W15 PolarHBondContact O-N 2.64Å; I13-Q16 PolarHBondContact O-N 3.02Å; I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 PolarHBondContact O-N 3.23Å
14L58.3Low53.5Low105 Ų105104.5 Ų104.555%0.5561%0.607SS.*Hα-helixtrans-64.9-33.2172.8-78.5162.1000112.3L10 I11 L17 T18L10-L14 HydrophobicContact CD2-CD1 4.15Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.45Å; L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.93Å; I11-L14 PolarHBondContact O-N 3.35Å; L14-L17 PolarHBondContact O-N 3.37Å; L14-T18 PolarHBondContact O-N 3.41Å
15W49.9Very low54.6Low186 Ų186106.8 Ų106.871%0.70562%0.623SS**Hα-helixtrans-72.3-30175.8-160.125.3000112.8I11 Y12 I13 T18I11-W15 WeakPolarHBondContact O-CB 3.48Å; I11-W15 PolarHBondContact O-N 2.92Å; Y12-W15 HydrophobicContact CD2-CE3 4.45Å; Y12-W15 HydrophobicContact CE2-CE3 4.44Å; Y12-W15 PolarHBondContact O-N 3.46Å; I13-W15 VanDerWaalsContact C-N 3.29Å; I13-W15 PolarHBondContact O-N 2.64Å; W15-T18 PolarHBondContact O-OG1 2.99Å
16Q49.9Very low56Low122 Ų122105.8 Ų105.857%0.5762%0.615SS**Hα-helixtrans-77.7-19.6171.2-58.8-60.6-14.200113.1Y12 I13Y12-Q16 HydrophobicContact CD1-CG 4.35Å; Y12-Q16 HydrophobicContact CE1-CG 4.34Å; Y12-Q16 WeakPolarHBondContact O-CG 3.39Å; Y12-Q16 PolarHBondContact O-N 2.7Å; Y12-Q16 VanDerWaalsContact O-N 3.07Å; I13-Q16 PolarHBondContact O-N 3.02Å
17L48.9Very low57.6Low132 Ų132106.6 Ų106.669%0.69161%0.611SS**Hα-helixtrans-89-10.5177.5-81.9160.4000114I13 L14 G19I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 3.37Å; L17-G19 PolarHBondContact O-N 3.08Å
18T47.8Very low59.4Low101 Ų101108.4 Ų108.462%0.6261%0.612SS**SBendtrans-75.770.9155.543.50000108.5L14 W15 S20L14-T18 PolarHBondContact O-N 3.41Å; W15-T18 PolarHBondContact O-OG1 2.99Å; T18-S20 PolarHBondContact O-N 2.86Å; T18-S20 VanDerWaalsContact O-N 3.15Å
19G42Very low61.2Low56 Ų56102.7 Ų102.758%0.57759%0.588SS**  trans-47.7123168.200000108.5L17 T21L17-G19 PolarHBondContact O-N 3.08Å; G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.85Å
20S45.2Very low62.6Low116 Ų116101.9 Ų101.981%0.81158%0.583SS**  trans-53.595.8168.2-171.50000107.6T18 A22T18-S20 PolarHBondContact O-N 2.86Å; T18-S20 VanDerWaalsContact O-N 3.15Å; S20-A22 PolarHBondContact O-N 2.87Å
21T39.9Very low64.3Low128 Ų12896.9 Ų96.979%0.78556%0.558SS**  trans-66.3101.6153.738.50000103.5G19 S23G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.85Å; T21-S23 PolarHBondContact O-N 3.3Å
22A41.6Very low65.9Low94 Ų9493.6 Ų93.678%0.77754%0.543SS*.  trans-60.981.9168.200000107.2S20 G24S20-A22 PolarHBondContact O-N 2.87Å; A22-G24 PolarHBondContact O-N 3.41Å
23S44.2Very low67.6Low104 Ų10490.4 Ų90.473%0.72754%0.535SS*.  trans-68.691171-173.50000105.3T21 S25T21-S23 PolarHBondContact O-N 3.3Å; S23-S25 PolarHBondContact O-N 3.04Å; S23-S25 VanDerWaalsContact O-N 3.17Å
24G60.4Low69.3Low53 Ų5388 Ų8855%0.54654%0.537SS..  trans-49.4125.4172.800000108.5A22 V26A22-G24 PolarHBondContact O-N 3.41Å; G24-V26 PolarHBondContact O-N 3.47Å
25S75.6Confident71.1Confident109 Ų10984.1 Ų84.176%0.76252%0.521SS*.  trans-54.9112.3-174.859.40000110.1S23 K27S23-S25 PolarHBondContact O-N 3.04Å; S23-S25 VanDerWaalsContact O-N 3.17Å; S25-K27 PolarHBondContact O-N 3.48Å
26V88.8Confident73.4Confident80 Ų8077.9 Ų77.949%0.48551%0.509SS..PPolyproline II helixtrans-67.8128.1175.6179.20000108.4G24 K119 V121G24-V26 PolarHBondContact O-N 3.47Å; V26-K119 HydrophobicContact CG2-CB 4.18Å; V26-V121 HydrophobicContact CG1-CB 4.42Å; V26-V121 HydrophobicContact CG1-CG2 3.51Å
27K92.6Very high75.6Confident105 Ų10572.8 Ų72.846%0.45749%0.487SS..EExtended strand (participates in β ladder)trans-101.1124.2-179.8-171175.5-177.5177.90111.5S25 P40 K119 Y120 V121S25-K27 PolarHBondContact O-N 3.48Å; K27-P40 HydrophobicContact CD-CG 4.46Å; K27-K119 PolarHBondContact N-O 3.17Å; K27-Y120 HydrophobicContact CB-CD1 3.87Å; K27-Y120 HydrophobicContact CB-CE1 4.25Å; K27-Y120 HydrophobicContact CD-CD1 4.36Å; K27-Y120 HydrophobicContact CD-CE1 4.13Å; K27-Y120 HydrophobicContact CG-CD1 4.37Å; K27-Y120 CarbonylContact O-C 3.59Å; K27-Y120 WeakPolarHBondContact O-CA 3.4Å; K27-V121 PolarHBondContact O-N 3.06Å
28E94.8Very high77.8Confident111 Ų11169.3 Ų69.352%0.51947%0.471SS..EExtended strand (participates in β ladder)trans-81.3138.5174.6-168.5165.2-152.700111.3V121 R123E28-V121 CarbonylContact C-O 3.6Å; E28-V121 WeakPolarHBondContact CA-O 3.26Å; E28-R123 WeakPolarHBondContact OE1-CD 3.22Å; E28-R123 IonicContact OE1-CZ 2.77Å; E28-R123 IonicContact OE1-NE 3.85Å; E28-R123 PolarHBondContact OE1-NE 3.27Å
29L96.7Very high80Confident21 Ų2164.5 Ų64.511%0.1144%0.441CS..EExtended strand (participates in β ladder)trans-128.2141.8174.7-63.6176.5000108.9V37 F39 Y120 V121 L122 R123L29-V37 HydrophobicContact CB-CG2 4.09Å; L29-V37 HydrophobicContact CD1-CG2 4.23Å; L29-F39 HydrophobicContact CD1-CB 4.37Å; L29-F39 HydrophobicContact CD1-CD1 3.36Å; L29-F39 HydrophobicContact CD1-CE1 3.76Å; L29-F39 HydrophobicContact CD1-CG 3.94Å; L29-Y120 HydrophobicContact CD1-CD1 3.74Å; L29-Y120 HydrophobicContact CD1-CE1 4.43Å; L29-Y120 HydrophobicContact CD1-CG 4.23Å; L29-Y120 HydrophobicContact CG-CD1 4.16Å; L29-V121 PolarHBondContact N-O 3.2Å; L29-L122 HydrophobicContact CB-CD1 4.11Å; L29-L122 WeakPolarHBondContact O-CA 3.3Å; L29-R123 PolarHBondContact O-N 2.84Å
30V96.1Very high82.3Confident65 Ų6563.7 Ų63.739%0.39443%0.426SS..EExtended strand (participates in β ladder)trans-118.6132.7-177.91760000108.4R123 Y125 P200 V201V30-R123 WeakPolarHBondContact CA-O 3.4Å; V30-Y125 HydrophobicContact CG1-CD2 3.88Å; V30-Y125 HydrophobicContact CG1-CE2 4.11Å; V30-P200 HydrophobicContact CG1-CB 3.62Å; V30-P200 HydrophobicContact CG2-CB 4.16Å; V30-V201 HydrophobicContact CG1-CG1 3.46Å; V30-V201 VanDerWaalsContact CG1-CG1 3.46Å
31G96.1Very high84.3Confident4 Ų459.2 Ų59.24%0.04139%0.393CS..EExtended strand (participates in β ladder)trans-134.6157.8174.700000112.1R123 V124 Y125G31-R123 PolarHBondContact N-O 2.55Å; G31-V124 CarbonylContact O-C 3.57Å; G31-V124 VanDerWaalsContact O-CA 3.31Å; G31-V124 WeakPolarHBondContact O-CA 3.49Å; G31-Y125 PolarHBondContact O-N 2.02Å
32S95.4Very high86Confident29 Ų2961.5 Ų61.520%0.20339%0.392CS..EExtended strand (participates in β ladder)trans-101.5149.3171.755.40000111G34 G35 L95 Y125S32-G34 PolarHBondContact O-N 3.28Å; S32-G35 WeakPolarHBondContact O-CA 3.39Å; S32-G35 PolarHBondContact O-N 2.99Å; S32-L95 WeakPolarHBondContact O-CB 3.46Å; S32-Y125 CarbonylContact C-O 3.57Å; S32-Y125 VanDerWaalsContact CA-O 3.29Å; S32-Y125 WeakPolarHBondContact CA-O 3.31Å
33I95.1Very high87.3Confident73 Ų7359 Ų5937%0.37437%0.369SS..THydrogen-bonded Turntrans-54.9134.5172.3-64.6177.8000109.7G35 K97 V124 Y125 E126I33-G35 PolarHBondContact O-N 2.96Å; I33-K97 HydrophobicContact CD1-CB 4.41Å; I33-V124 HydrophobicContact CG1-CG1 3.85Å; I33-Y125 PolarHBondContact N-O 2.88Å; I33-E126 HydrophobicContact CD1-CB 3.88Å; I33-E126 HydrophobicContact CD1-CG 4.18Å
34G96.4Very high88.3Confident55 Ų5563.2 Ų63.257%0.56738%0.377SS*.THydrogen-bonded Turntrans78.6-16.9-175.200000114.6S32 L95S32-G34 PolarHBondContact O-N 3.28Å; G34-L95 PolarHBondContact N-O 3.03Å
35G96.8Very high88.9Confident22 Ų2262 Ų6223%0.22736%0.359CS..  trans-75.8-163.3178.700000114S32 I33 S93 K94 L95S32-G35 WeakPolarHBondContact O-CA 3.39Å; S32-G35 PolarHBondContact O-N 2.99Å; I33-G35 PolarHBondContact O-N 2.96Å; G35-S93 CarbonylContact O-C 3.6Å; G35-K94 WeakPolarHBondContact O-CA 3.34Å; G35-K94 PolarHBondContact O-N 2.79Å; G35-L95 PolarHBondContact O-N 3.21Å
36A96.8Very high88.8Confident55 Ų5566.9 Ų66.946%0.45537%0.367SS..EExtended strand (participates in β ladder)trans-139.9153.7176.600000111L92A36-L92 CarbonylContact C-O 3.58Å; A36-L92 WeakPolarHBondContact CA-O 3.5Å
37V96.6Very high88.5Confident16 Ų1668.1 Ų68.110%0.09737%0.367CS..EExtended strand (participates in β ladder)trans-135.1144.5174.671.30000109.9L29 F39 K91 L92 L95 L122L29-V37 HydrophobicContact CB-CG2 4.09Å; L29-V37 HydrophobicContact CD1-CG2 4.23Å; V37-F39 HydrophobicContact CG1-CD2 4.45Å; V37-F39 HydrophobicContact CG1-CE2 3.79Å; V37-F39 HydrophobicContact CG1-CZ 4.08Å; V37-K91 WeakPolarHBondContact O-CA 3.42Å; V37-L92 HydrophobicContact CG1-CB 4.45Å; V37-L92 PolarHBondContact N-O 2.8Å; V37-L92 PolarHBondContact O-N 3.18Å; V37-L95 HydrophobicContact CB-CD1 4.18Å; V37-L95 HydrophobicContact CG1-CD1 4.16Å; V37-L95 HydrophobicContact CG1-CD2 4.26Å; V37-L122 HydrophobicContact CB-CD1 4.4Å; V37-L122 HydrophobicContact CG1-CD1 3.93Å; V37-L122 HydrophobicContact CG1-CD2 4.01Å; V37-L122 HydrophobicContact CG2-CD1 4.3Å
38T95.4Very high88.2Confident58 Ų5864 Ų6436%0.35635%0.351SS..EExtended strand (participates in β ladder)trans-109.8126.6173.3-56.10000108.9P40 L90T38-P40 WeakPolarHBondContact O-CD 3.14Å; T38-L90 CarbonylContact C-O 3.54Å; T38-L90 WeakPolarHBondContact CA-O 3.45Å
39F94.3Very high87.9Confident0 Ų061.6 Ų61.60%034%0.341CS..EExtended strand (participates in β ladder)trans-85.8103.2173.8-60.8-97.7000108.4L29 V37 L41 W53 S89 L90 L92 Y103 Y120 L122L29-F39 HydrophobicContact CD1-CB 4.37Å; L29-F39 HydrophobicContact CD1-CD1 3.36Å; L29-F39 HydrophobicContact CD1-CE1 3.76Å; L29-F39 HydrophobicContact CD1-CG 3.94Å; V37-F39 HydrophobicContact CG1-CD2 4.45Å; V37-F39 HydrophobicContact CG1-CE2 3.79Å; V37-F39 HydrophobicContact CG1-CZ 4.08Å; F39-L41 PolarHBondContact O-N 2.77Å; F39-W53 HydrophobicContact CB-CH2 3.44Å; F39-W53 VanDerWaalsContact CB-CH2 3.44Å; F39-W53 HydrophobicContact CB-CZ2 4.39Å; F39-W53 HydrophobicContact CB-CZ3 3.72Å; F39-W53 HydrophobicContact CD1-CZ3 4.19Å; F39-W53 HydrophobicContact CG-CH2 4.21Å; F39-W53 AromaticContact CG-CZ3 3.99Å; F39-W53 HydrophobicContact CG-CZ3 3.99Å; F39-S89 WeakPolarHBondContact O-CA 3.29Å; F39-L90 HydrophobicContact CB-CB 4.29Å; F39-L90 HydrophobicContact CD2-CB 4.09Å; F39-L90 HydrophobicContact CD2-CD2 3.9Å; F39-L90 HydrophobicContact CD2-CG 3.94Å; F39-L90 WeakPolarHBondContact CD2-O 3.34Å; F39-L90 HydrophobicContact CE2-CD2 4.12Å; F39-L90 HydrophobicContact CE2-CG 4.43Å; F39-L90 PolarHBondContact N-O 3.3Å; F39-L92 HydrophobicContact CE2-CB 4.05Å; F39-Y103 HydrophobicContact CD1-CG 4.4Å; F39-Y103 AromaticContact CE1-CD1 3.99Å; F39-Y103 HydrophobicContact CE1-CD1 3.99Å; F39-Y103 AromaticContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CE2 4.29Å; F39-Y103 AromaticContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE1-CG 3.49Å; F39-Y103 VanDerWaalsContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE2-CD1 4.4Å; F39-Y103 HydrophobicContact CE2-CE1 4.47Å; F39-Y103 AromaticContact CZ-CD1 3.74Å; F39-Y103 HydrophobicContact CZ-CD1 3.74Å; F39-Y103 AromaticContact CZ-CD2 3.75Å; F39-Y103 HydrophobicContact CZ-CD2 3.75Å; F39-Y103 AromaticContact CZ-CE1 3.91Å; F39-Y103 HydrophobicContact CZ-CE1 3.91Å; F39-Y103 AromaticContact CZ-CE2 3.93Å; F39-Y103 HydrophobicContact CZ-CE2 3.93Å; F39-Y103 AromaticContact CZ-CG 3.65Å; F39-Y103 HydrophobicContact CZ-CG 3.65Å; F39-Y120 HydrophobicContact CB-CE2 4.34Å; F39-Y120 HydrophobicContact CD1-CD1 4.25Å; F39-Y120 AromaticContact CD1-CD2 3.95Å; F39-Y120 HydrophobicContact CD1-CD2 3.95Å; F39-Y120 AromaticContact CD1-CG 3.78Å; F39-Y120 HydrophobicContact CD1-CG 3.78Å; F39-L122 HydrophobicContact CE1-CB 4.47Å; F39-L122 HydrophobicContact CZ-CB 4.46Å; F39-L122 HydrophobicContact CZ-CD2 4.06Å
40P90.8Very high87.7Confident40 Ų4061.9 Ų61.926%0.2635%0.345SS..  trans-75.6114.4-168.228.7-34.5000111.1K27 T38 R118 Y120K27-P40 HydrophobicContact CD-CG 4.46Å; T38-P40 WeakPolarHBondContact O-CD 3.14Å; P40-R118 PolarHBondContact O-NH1 2.94Å; P40-Y120 HydrophobicContact CG-CE1 4.24Å; P40-Y120 PolarHBondContact O-OH 2.88Å
41L87Confident87.4Confident21 Ų2158.8 Ų58.811%0.1133%0.326CS..  trans-103.3111.1175.7-157.759.7000109.6F39 W53 S89 V105 I107 F116F39-L41 PolarHBondContact O-N 2.77Å; L41-W53 HydrophobicContact CD2-CZ2 4.36Å; L41-S89 PolarHBondContact N-OG 3.14Å; L41-V105 HydrophobicContact CD1-CG1 3.72Å; L41-V105 HydrophobicContact CD2-CG2 4.19Å; L41-I107 HydrophobicContact CD1-CD1 4.29Å; L41-I107 HydrophobicContact CD2-CD1 3.75Å; L41-I107 HydrophobicContact CD2-CG1 4.38Å; L41-I107 HydrophobicContact CG-CD1 4.2Å; L41-F116 HydrophobicContact CD1-CE1 4.33Å
42K75.6Confident87.3Confident177 Ų17759.7 Ų59.777%0.7733%0.331SS*.  trans-109.5104.2167.1-69-172.8-179.6-174.20105.8R118K42-R118 PolarHBondContact O-NH2 3Å; K42-R118 VanDerWaalsContact O-NH2 3.08Å
43S67.2Low87.3Confident42 Ų4258.3 Ų58.329%0.29432%0.322SS..  trans-113.4129.9177.1-172.90000108.3V45S43-V45 VanDerWaalsContact OG-CB 3.28Å; S43-V45 WeakPolarHBondContact OG-CB 3.31Å; S43-V45 WeakPolarHBondContact OG-CG2 3.47Å; S43-V45 PolarHBondContact OG-N 3.32Å
44E66.9Low87.2Confident192 Ų19255.8 Ų55.890%0.89731%0.31SS*.  trans-88.15.2170.7-63.5-178.5-176.600111.6K46E44-K46 PolarHBondContact O-N 3.09Å
45V72.1Confident87.2Confident28 Ų2853.9 Ų53.917%0.1729%0.286CS..  trans-71.2117-178.9-177.90000109.4S43 Q47 V48 L112S43-V45 VanDerWaalsContact OG-CB 3.28Å; S43-V45 WeakPolarHBondContact OG-CB 3.31Å; S43-V45 WeakPolarHBondContact OG-CG2 3.47Å; S43-V45 PolarHBondContact OG-N 3.32Å; V45-Q47 WeakPolarHBondContact CG1-O 3.41Å; V45-V48 HydrophobicContact CB-CG2 4.29Å; V45-V48 HydrophobicContact CG1-CG2 3.97Å; V45-L112 HydrophobicContact CG1-CD1 4.3Å; V45-L112 HydrophobicContact CG2-CD1 3.77Å
46K72.8Confident87Confident211 Ų21156.7 Ų56.792%0.91730%0.295SS*.SBendtrans-73.7-37.1-173.9-65.9-175.7179.5-179.90113.5E44E44-K46 PolarHBondContact O-N 3.09Å
47Q82.4Confident86.7Confident106 Ų10660.4 Ų60.450%0.49531%0.312SS..SBendtrans-124.6118.2-178.8-173.6172.712.600108.7V45 S109V45-Q47 WeakPolarHBondContact CG1-O 3.41Å; Q47-S109 WeakPolarHBondContact O-CB 3.47Å; Q47-S109 PolarHBondContact O-OG 3.13Å
48V87.4Confident86.5Confident18 Ų1862.4 Ų62.411%0.10933%0.325CS..  trans-114.2123.1-177.1178.60000108.5V45 I51 P65 Y88 I107V45-V48 HydrophobicContact CB-CG2 4.29Å; V45-V48 HydrophobicContact CG1-CG2 3.97Å; V48-I51 HydrophobicContact CG1-CD1 3.9Å; V48-I51 HydrophobicContact CG1-CG1 3.53Å; V48-P65 HydrophobicContact CB-CG 4.09Å; V48-P65 HydrophobicContact CG1-CG 3.9Å; V48-P65 VanDerWaalsContact O-CG 3.3Å; V48-P65 WeakPolarHBondContact O-CG 3.37Å; V48-Y88 HydrophobicContact CG2-CE2 4.3Å; V48-I107 HydrophobicContact CB-CG2 4.38Å; V48-I107 HydrophobicContact CG1-CG2 3.63Å; V48-I107 HydrophobicContact CG2-CG2 3.91Å
49D89.1Confident86.4Confident61 Ų6162.3 Ų62.333%0.32632%0.324SS..SBendtrans-91.9-40.5-178.6-58-18.4000110.8P65 Y108 S110D49-P65 WeakPolarHBondContact O-CD 3.37Å; D49-Y108 PolarHBondContact N-O 2.98Å; D49-S110 WeakPolarHBondContact OD2-CB 3.32Å; D49-S110 PolarHBondContact OD2-N 2.71Å; D49-S110 PolarHBondContact OD2-OG 3.47Å
50S90.8Very high86.3Confident27 Ų2762.4 Ų62.419%0.18933%0.325CS..EExtended strand (participates in β ladder)trans-156.6154.9173.767.30000112.8I63 Y108S50-I63 CarbonylContact C-O 3.6Å; S50-I63 WeakPolarHBondContact CA-O 3.42Å; S50-Y108 PolarHBondContact N-O 2.79Å; S50-Y108 PolarHBondContact O-N 2.95Å; S50-Y108 WeakPolarHBondContact OG-CD2 3.14Å
51I91.7Very high86.4Confident0 Ų060.5 Ų60.50%031%0.312CS..EExtended strand (participates in β ladder)trans-129.2130.3176-52.5177.4000108.6V48 T62 I63 Y88 V105 E106 I107V48-I51 HydrophobicContact CG1-CD1 3.9Å; V48-I51 HydrophobicContact CG1-CG1 3.53Å; I51-T62 CarbonylContact O-C 3.57Å; I51-T62 WeakPolarHBondContact O-CA 3.43Å; I51-I63 HydrophobicContact CB-CB 4.22Å; I51-I63 PolarHBondContact N-O 3.05Å; I51-I63 PolarHBondContact O-N 2.93Å; I51-Y88 HydrophobicContact CD1-CD1 3.27Å; I51-Y88 HydrophobicContact CD1-CD2 3.41Å; I51-Y88 VanDerWaalsContact CD1-CD2 3.41Å; I51-Y88 HydrophobicContact CD1-CE1 3.77Å; I51-Y88 HydrophobicContact CD1-CE2 3.91Å; I51-Y88 HydrophobicContact CD1-CG 3.04Å; I51-V105 HydrophobicContact CG2-CG2 3.61Å; I51-E106 WeakPolarHBondContact CA-O 3.31Å; I51-I107 HydrophobicContact CG1-CG1 4.44Å; I51-I107 HydrophobicContact CG1-CG2 4.33Å; I51-I107 HydrophobicContact CG2-CG1 4.39Å
52V93.3Very high86.6Confident23 Ų2361.5 Ų61.514%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-122.2117.5179.2-173.80000108.9T59 T62 V105 E106 Y108V52-T59 HydrophobicContact CG1-CG2 3.95Å; V52-T62 HydrophobicContact CG2-CG2 4.41Å; V52-V105 WeakPolarHBondContact O-CA 3.48Å; V52-E106 PolarHBondContact N-O 2.63Å; V52-E106 PolarHBondContact O-N 2.93Å; V52-Y108 HydrophobicContact CG2-CD2 4.49Å; V52-Y108 HydrophobicContact CG2-CE2 4.08Å
53W94.3Very high87.2Confident0 Ų053.8 Ų53.80%029%0.287CS..EExtended strand (participates in β ladder)trans-95.2129.3168.5-74.889.8000109.3F39 L41 L60 V61 L90 N104 V105 Y120F39-W53 HydrophobicContact CB-CH2 3.44Å; F39-W53 VanDerWaalsContact CB-CH2 3.44Å; F39-W53 HydrophobicContact CB-CZ2 4.39Å; F39-W53 HydrophobicContact CB-CZ3 3.72Å; F39-W53 HydrophobicContact CD1-CZ3 4.19Å; F39-W53 HydrophobicContact CG-CH2 4.21Å; F39-W53 AromaticContact CG-CZ3 3.99Å; F39-W53 HydrophobicContact CG-CZ3 3.99Å; L41-W53 HydrophobicContact CD2-CZ2 4.36Å; W53-L60 HydrophobicContact CB-CB 4.37Å; W53-L60 WeakPolarHBondContact O-CB 3.38Å; W53-L60 PolarHBondContact O-N 2.82Å; W53-V61 HydrophobicContact CB-CB 4.25Å; W53-V61 PolarHBondContact N-O 2.88Å; W53-V61 PolarHBondContact O-N 2.95Å; W53-L90 HydrophobicContact CD2-CB 3.98Å; W53-L90 HydrophobicContact CD2-CD2 3.75Å; W53-L90 HydrophobicContact CD2-CG 4.47Å; W53-L90 HydrophobicContact CE3-CB 4.3Å; W53-L90 HydrophobicContact CE3-CD2 3.7Å; W53-L90 HydrophobicContact CG-CD2 4.11Å; W53-L90 HydrophobicContact CH2-CB 4.02Å; W53-L90 HydrophobicContact CZ2-CB 3.65Å; W53-L90 HydrophobicContact CZ3-CB 4.32Å; W53-L90 HydrophobicContact CZ3-CD2 4.22Å; W53-N104 CarbonylContact C-O 3.53Å; W53-N104 WeakPolarHBondContact CA-O 3.47Å; W53-V105 HydrophobicContact CD2-CB 3.77Å; W53-V105 HydrophobicContact CD2-CG2 3.89Å; W53-V105 HydrophobicContact CE3-CB 3.76Å; W53-V105 HydrophobicContact CE3-CG2 4.39Å; W53-V105 HydrophobicContact CG-CB 4.48Å; W53-V105 HydrophobicContact CG-CG2 4.3Å; W53-V105 HydrophobicContact CH2-CB 3.82Å; W53-V105 HydrophobicContact CH2-CG1 3.86Å; W53-V105 HydrophobicContact CH2-CG2 4.28Å; W53-V105 HydrophobicContact CZ2-CB 3.84Å; W53-V105 HydrophobicContact CZ2-CG1 4.15Å; W53-V105 HydrophobicContact CZ2-CG2 3.78Å; W53-V105 HydrophobicContact CZ3-CB 3.79Å; W53-V105 HydrophobicContact CZ3-CG1 4.1Å; W53-Y120 HydrophobicContact CH2-CD2 4.46Å; W53-Y120 AromaticContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CZ3-CD2 4.09Å; W53-Y120 AromaticContact CZ3-CE2 3.91Å; W53-Y120 HydrophobicContact CZ3-CE2 3.91Å
54T94.9Very high88.2Confident20 Ų2056.5 Ų56.512%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-122.8128.9179.3-60.20000109.2T58 Y103 N104T54-T58 CarbonylContact C-O 3.59Å; T54-T58 WeakPolarHBondContact CA-O 3.21Å; T54-T58 WeakPolarHBondContact CG2-O 3.42Å; T54-Y103 CarbonylContact O-C 3.48Å; T54-Y103 WeakPolarHBondContact O-CA 3.37Å; T54-N104 PolarHBondContact N-O 3.02Å; T54-N104 PolarHBondContact O-N 2.95Å
55F95.2Very high88.8Confident15 Ų1548.5 Ų48.57%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-101.6117.8170.2172.4-119.8000109.4T57 T58 L60 Y103F55-T57 PolarHBondContact O-N 2.86Å; F55-T58 PolarHBondContact N-O 2.89Å; F55-T58 PolarHBondContact O-N 2.77Å; F55-T58 PolarHBondContact O-OG1 3.31Å; F55-L60 HydrophobicContact CB-CB 4.47Å; F55-Y103 HydrophobicContact CB-CD1 4.24Å; F55-Y103 HydrophobicContact CB-CE1 3.98Å; F55-Y103 HydrophobicContact CD2-CD1 4.14Å; F55-Y103 AromaticContact CD2-CD2 3.91Å; F55-Y103 HydrophobicContact CD2-CD2 3.91Å; F55-Y103 AromaticContact CD2-CE1 3.68Å; F55-Y103 HydrophobicContact CD2-CE1 3.68Å; F55-Y103 AromaticContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CE2 3.4Å; F55-Y103 VanDerWaalsContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CG 4.24Å; F55-Y103 AromaticContact CD2-CZ 3.28Å; F55-Y103 HydrophobicContact CE2-CD2 4.34Å; F55-Y103 AromaticContact CE2-CE2 3.58Å; F55-Y103 HydrophobicContact CE2-CE2 3.58Å; F55-Y103 AromaticContact CE2-CZ 3.68Å; F55-Y103 HydrophobicContact CG-CE1 4.09Å
56N93.1Very high89Confident81 Ų8155.9 Ų55.943%0.43329%0.292SS..THydrogen-bonded Turntrans52.1-97.2-167.6-62.6-37.4000110.6I102N56-I102 PolarHBondContact N-O 2.79Å; N56-I102 PolarHBondContact OD1-N 2.58Å
57T90.6Very high88.6Confident132 Ų13250 Ų5081%0.8129%0.291SS*.THydrogen-bonded Turntrans-115.6-3.1178.455.20000113.3F55F55-T57 PolarHBondContact O-N 2.86Å
58T92.2Very high88.1Confident58 Ų5846.4 Ų46.436%0.35628%0.282SS..EExtended strand (participates in β ladder)trans-105.2130.3-173.5580000111.3T54 F55 L60 Q74T54-T58 CarbonylContact C-O 3.59Å; T54-T58 WeakPolarHBondContact CA-O 3.21Å; T54-T58 WeakPolarHBondContact CG2-O 3.42Å; F55-T58 PolarHBondContact N-O 2.89Å; F55-T58 PolarHBondContact O-N 2.77Å; F55-T58 PolarHBondContact O-OG1 3.31Å; T58-L60 PolarHBondContact O-N 3.43Å; T58-Q74 PolarHBondContact OG1-NE2 2.69Å
59T93.1Very high87.5Confident56 Ų5649 Ų4934%0.34430%0.299SS..EExtended strand (participates in β ladder)trans-58.7129.4171.7-500000109.6V52 T73V52-T59 HydrophobicContact CG1-CG2 3.95Å; T59-T73 VanDerWaalsContact O-CB 3.31Å; T59-T73 WeakPolarHBondContact O-CB 3.46Å; T59-T73 PolarHBondContact O-OG1 3.28Å
60L92.1Very high87.1Confident2 Ų250.9 Ų50.91%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-99.9-52.8-179.8-176.671.1000110.4W53 F55 T58 T73 N77 L90 Y103W53-L60 HydrophobicContact CB-CB 4.37Å; W53-L60 WeakPolarHBondContact O-CB 3.38Å; W53-L60 PolarHBondContact O-N 2.82Å; F55-L60 HydrophobicContact CB-CB 4.47Å; T58-L60 PolarHBondContact O-N 3.43Å; L60-T73 PolarHBondContact O-N 2.6Å; L60-N77 HydrophobicContact CD1-CB 4.24Å; L60-N77 WeakPolarHBondContact CD1-ND2 3.41Å; L60-L90 HydrophobicContact CD2-CD2 3.76Å; L60-Y103 HydrophobicContact CD2-CD1 4.2Å; L60-Y103 HydrophobicContact CD2-CE1 3.89Å
61V92.1Very high86.7Confident0 Ų054 Ų540%032%0.321CS..EExtended strand (participates in β ladder)trans-143.3138.4-178.6-168.10000109.6W53 I63 M70 I71 V72 V81 F83 L90W53-V61 HydrophobicContact CB-CB 4.25Å; W53-V61 PolarHBondContact N-O 2.88Å; W53-V61 PolarHBondContact O-N 2.95Å; V61-I63 HydrophobicContact CG1-CD1 4.48Å; V61-I63 HydrophobicContact CG1-CG1 3.87Å; V61-M70 HydrophobicContact CG1-CG 4.16Å; V61-I71 WeakPolarHBondContact CA-O 3.44Å; V61-V72 HydrophobicContact CG1-CG2 4.31Å; V61-V72 HydrophobicContact CG2-CG2 4.28Å; V61-V81 HydrophobicContact CG2-CG1 3.84Å; V61-V81 HydrophobicContact CG2-CG2 4.38Å; V61-F83 HydrophobicContact CG1-CE2 4.23Å; V61-F83 HydrophobicContact CG1-CZ 4.05Å; V61-F83 HydrophobicContact CG2-CZ 4.48Å; V61-L90 HydrophobicContact CG2-CD1 4.39Å
62T91.4Very high86.2Confident42 Ų4254.8 Ų54.826%0.25833%0.326SS..EExtended strand (participates in β ladder)trans-117.6131.6165.1-57.10000109I51 V52 I71I51-T62 CarbonylContact O-C 3.57Å; I51-T62 WeakPolarHBondContact O-CA 3.43Å; V52-T62 HydrophobicContact CG2-CG2 4.41Å; T62-I71 PolarHBondContact N-O 3.02Å; T62-I71 PolarHBondContact O-N 2.74Å
63I88.9Confident85.6Confident16 Ų1657.5 Ų57.58%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-122.8126-179.7-46.3174000107.7S50 I51 V61 M70 F83 Y88S50-I63 CarbonylContact C-O 3.6Å; S50-I63 WeakPolarHBondContact CA-O 3.42Å; I51-I63 HydrophobicContact CB-CB 4.22Å; I51-I63 PolarHBondContact N-O 3.05Å; I51-I63 PolarHBondContact O-N 2.93Å; V61-I63 HydrophobicContact CG1-CD1 4.48Å; V61-I63 HydrophobicContact CG1-CG1 3.87Å; I63-M70 HydrophobicContact CG1-CG 4.33Å; I63-F83 HydrophobicContact CD1-CD1 4.16Å; I63-F83 HydrophobicContact CD1-CE1 3.52Å; I63-F83 HydrophobicContact CD1-CE2 4.15Å; I63-F83 HydrophobicContact CD1-CZ 3.51Å; I63-F83 HydrophobicContact CG1-CZ 4.37Å; I63-Y88 HydrophobicContact CD1-CD1 4.47Å; I63-Y88 HydrophobicContact CG2-CD1 4.5Å; I63-Y88 HydrophobicContact CG2-CE1 4.43Å
64Q87.6Confident84.9Confident98 Ų9859.2 Ų59.246%0.45835%0.351SS..  trans-108.4113.2166.5-78.6178.9-22.500108.3G68Q64-G68 CarbonylContact O-C 3.53Å; Q64-G68 WeakPolarHBondContact O-CA 3.31Å
65P80.4Confident84Confident25 Ų2564.1 Ų64.116%0.16238%0.376CS..SBendtrans-60.2170.1174.1-26.639.4000113V48 D49 Y88V48-P65 HydrophobicContact CB-CG 4.09Å; V48-P65 HydrophobicContact CG1-CG 3.9Å; V48-P65 VanDerWaalsContact O-CG 3.3Å; V48-P65 WeakPolarHBondContact O-CG 3.37Å; D49-P65 WeakPolarHBondContact O-CD 3.37Å; P65-Y88 WeakPolarHBondContact CB-OH 3.28Å; P65-Y88 HydrophobicContact CG-CE1 4.1Å; P65-Y88 VanDerWaalsContact CG-OH 3.29Å; P65-Y88 WeakPolarHBondContact CG-OH 3.5Å
66E74.9Confident83.3Confident183 Ų18370 Ų7086%0.85540%0.398SS*.THydrogen-bonded Turntrans66.441.9174.2-53.8-172.1170.500115.8G68E66-G68 VanDerWaalsContact C-N 3.33Å
67G65.6Low82.9Confident87 Ų8766.3 Ų66.390%0.89738%0.378SS*.THydrogen-bonded Turntrans86.45175.500000114.2
68G71.5Confident82.6Confident30 Ų3065.7 Ų65.731%0.30936%0.364SS..  trans-67.9161.2167.900000113Q64 E66Q64-G68 CarbonylContact O-C 3.53Å; Q64-G68 WeakPolarHBondContact O-CA 3.31Å; E66-G68 VanDerWaalsContact C-N 3.33Å
69P75.2Confident82.3Confident72 Ų7271.1 Ų71.147%0.46839%0.385SS..  trans-69.3142.1-179.629.4-35.5000111.9I71P69-I71 HydrophobicContact CB-CD1 4.23Å; P69-I71 HydrophobicContact CB-CG1 3.97Å; P69-I71 HydrophobicContact CG-CD1 4.1Å; P69-I71 HydrophobicContact CG-CG1 4.32Å
70M81.4Confident82.4Confident101 Ų10169.1 Ų69.150%0.49837%0.372SS..EExtended strand (participates in β ladder)trans-94.2115.6161.6-175.1178.595.800108.9V61 I63 V72 F83V61-M70 HydrophobicContact CG1-CG 4.16Å; I63-M70 HydrophobicContact CG1-CG 4.33Å; M70-V72 HydrophobicContact CE-CG2 4.34Å; M70-F83 HydrophobicContact CE-CD2 4.16Å; M70-F83 HydrophobicContact CE-CE2 4.05Å; M70-F83 HydrophobicContact SD-CD2 3.52Å; M70-F83 VanDerWaalsContact SD-CD2 3.52Å; M70-F83 HydrophobicContact SD-CE2 3.45Å; M70-F83 WeakPolarHBondContact SD-CE2 3.38Å
71I80.9Confident82.4Confident93 Ų9369.7 Ų69.748%0.47738%0.375SS..EExtended strand (participates in β ladder)trans-115.8111-174.2-54.2177.4000109.2V61 T62 P69V61-I71 WeakPolarHBondContact CA-O 3.44Å; T62-I71 PolarHBondContact N-O 3.02Å; T62-I71 PolarHBondContact O-N 2.74Å; P69-I71 HydrophobicContact CB-CD1 4.23Å; P69-I71 HydrophobicContact CB-CG1 3.97Å; P69-I71 HydrophobicContact CG-CD1 4.1Å; P69-I71 HydrophobicContact CG-CG1 4.32Å
72V81.3Confident82.3Confident16 Ų1673.3 Ų73.310%0.09740%0.395CS..EExtended strand (participates in β ladder)trans-88.2112.9168.3-178.10000108.3V61 M70 Q74 N77 K78 V81V61-V72 HydrophobicContact CG1-CG2 4.31Å; V61-V72 HydrophobicContact CG2-CG2 4.28Å; M70-V72 HydrophobicContact CE-CG2 4.34Å; V72-Q74 PolarHBondContact O-N 3.2Å; V72-N77 HydrophobicContact CG1-CB 4.17Å; V72-K78 HydrophobicContact CB-CG 3.99Å; V72-K78 HydrophobicContact CG1-CG 4.1Å; V72-V81 HydrophobicContact CG2-CG1 4.22Å
73T81.4Confident82.1Confident80 Ų8072.9 Ų72.949%0.49139%0.389SS..SBendtrans-67.5-36.8-170.7-47.20000112.3T59 L60T59-T73 VanDerWaalsContact O-CB 3.31Å; T59-T73 WeakPolarHBondContact O-CB 3.46Å; T59-T73 PolarHBondContact O-OG1 3.28Å; L60-T73 PolarHBondContact O-N 2.6Å
74Q78.5Confident81.7Confident37 Ų3775 Ų7517%0.17340%0.404CS..  trans-101.4117.5-177.5-65.1-175.811.300111.4T58 V72 R76 N77T58-Q74 PolarHBondContact OG1-NE2 2.69Å; V72-Q74 PolarHBondContact O-N 3.2Å; Q74-R76 HydrophobicContact CB-CG 4.2Å; Q74-R76 PolarHBondContact O-N 2.96Å; Q74-R76 VanDerWaalsContact O-N 3.14Å; Q74-R76 VanDerWaalsContact OE1-CZ 3.29Å; Q74-N77 PolarHBondContact O-N 3.27Å; Q74-N77 PolarHBondContact OE1-ND2 2.77Å
75N76.9Confident80.9Confident123 Ų12376.4 Ų76.466%0.65841%0.414SS*.G310 helixtrans-54.7-38.1-176.9-136.328000112.7N77 K78N75-N77 PolarHBondContact O-N 3.39Å; N75-K78 PolarHBondContact O-N 2.94Å; N75-K78 WeakPolarHBondContact OD1-CD 3.43Å; N75-K78 WeakPolarHBondContact OD1-CE 3.46Å; N75-K78 PolarHBondContact OD1-NZ 2.89Å
76R80.6Confident80.2Confident138 Ų13878.9 Ų78.952%0.52145%0.445SS..G310 helixtrans-59.3-17.8177.264.9173.9179.8173.82.9115Q74 R80Q74-R76 HydrophobicContact CB-CG 4.2Å; Q74-R76 PolarHBondContact O-N 2.96Å; Q74-R76 VanDerWaalsContact O-N 3.14Å; Q74-R76 VanDerWaalsContact OE1-CZ 3.29Å; R76-R80 VanDerWaalsContact O-CD 3.31Å; R76-R80 WeakPolarHBondContact O-CD 3.37Å
77N84.9Confident80.4Confident4 Ų471.8 Ų71.82%0.02142%0.42CS..G310 helixtrans-107.2-7.3-176.8-66.2-24.2000113.1L60 V72 Q74 N75 E79 R80 V81L60-N77 HydrophobicContact CD1-CB 4.24Å; L60-N77 WeakPolarHBondContact CD1-ND2 3.41Å; V72-N77 HydrophobicContact CG1-CB 4.17Å; Q74-N77 PolarHBondContact O-N 3.27Å; Q74-N77 PolarHBondContact OE1-ND2 2.77Å; N75-N77 PolarHBondContact O-N 3.39Å; N77-E79 VanDerWaalsContact C-N 3.31Å; N77-E79 PolarHBondContact O-N 2.81Å; N77-R80 PolarHBondContact O-N 2.87Å; N77-R80 PolarHBondContact OD1-NH1 3.17Å; N77-V81 HydrophobicContact CB-CG2 4.21Å; N77-V81 WeakPolarHBondContact O-CG2 3.18Å; N77-V81 PolarHBondContact O-N 3.01Å; N77-V81 VanDerWaalsContact O-N 3.08Å
78K82.9Confident81.2Confident118 Ų11871.2 Ų71.251%0.51339%0.392SS..THydrogen-bonded Turntrans-55.6-42-176.7-78.6-172.4-179.6169.80113.6V72 N75 R80V72-K78 HydrophobicContact CB-CG 3.99Å; V72-K78 HydrophobicContact CG1-CG 4.1Å; N75-K78 PolarHBondContact O-N 2.94Å; N75-K78 WeakPolarHBondContact OD1-CD 3.43Å; N75-K78 WeakPolarHBondContact OD1-CE 3.46Å; N75-K78 PolarHBondContact OD1-NZ 2.89Å; K78-R80 VanDerWaalsContact C-N 3.33Å
79E87.2Confident82.1Confident172 Ų17270.7 Ų70.780%0.80438%0.383SS*.THydrogen-bonded Turntrans-88.1-0.8-179.8-60.9179.1-17400113.7N77N77-E79 VanDerWaalsContact C-N 3.31Å; N77-E79 PolarHBondContact O-N 2.81Å
80R93.9Very high83Confident15 Ų1567.2 Ų67.26%0.05736%0.361CS..THydrogen-bonded Turntrans-109.7-21.1-173.4-60.7176.160.5-156-3.1112.3R76 N77 K78 L92 S93 K94 D99R76-R80 VanDerWaalsContact O-CD 3.31Å; R76-R80 WeakPolarHBondContact O-CD 3.37Å; N77-R80 PolarHBondContact O-N 2.87Å; N77-R80 PolarHBondContact OD1-NH1 3.17Å; K78-R80 VanDerWaalsContact C-N 3.33Å; R80-L92 HydrophobicContact CB-CD1 4.05Å; R80-L92 CarbonylContact O-C 3.56Å; R80-L92 WeakPolarHBondContact O-CA 3.47Å; R80-S93 PolarHBondContact NE-O 2.94Å; R80-S93 PolarHBondContact NH2-O 2.96Å; R80-S93 PolarHBondContact O-N 2.94Å; R80-S93 PolarHBondContact O-OG 3.39Å; R80-K94 PolarHBondContact NE-O 3.41Å; R80-K94 PolarHBondContact NH2-O 3.32Å; R80-D99 IonicContact CZ-OD1 3.72Å; R80-D99 IonicContact CZ-OD2 3.45Å; R80-D99 IonicContact NH1-OD1 3.04Å; R80-D99 PolarHBondContact NH1-OD1 2.82Å; R80-D99 IonicContact NH1-OD2 3.41Å; R80-D99 PolarHBondContact NH1-OD2 3.14Å; R80-D99 IonicContact NH2-OD1 3.51Å; R80-D99 IonicContact NH2-OD2 2.63Å; R80-D99 PolarHBondContact NH2-OD2 3.33Å
81V92.4Very high83.6Confident13 Ų1365.5 Ų65.58%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-94.4133-178162.40000109.6V61 V72 N77 F83 L90 K91 L92V61-V81 HydrophobicContact CG2-CG1 3.84Å; V61-V81 HydrophobicContact CG2-CG2 4.38Å; V72-V81 HydrophobicContact CG2-CG1 4.22Å; N77-V81 HydrophobicContact CB-CG2 4.21Å; N77-V81 WeakPolarHBondContact O-CG2 3.18Å; N77-V81 PolarHBondContact O-N 3.01Å; N77-V81 VanDerWaalsContact O-N 3.08Å; V81-F83 HydrophobicContact CG1-CD2 4.47Å; V81-F83 HydrophobicContact CG1-CE2 3.64Å; V81-F83 HydrophobicContact CG1-CZ 4.12Å; V81-L90 HydrophobicContact CB-CD1 4.34Å; V81-L90 HydrophobicContact CG1-CD1 3.56Å; V81-L90 HydrophobicContact CG2-CD1 4.17Å; V81-K91 WeakPolarHBondContact CA-O 3.2Å; V81-L92 HydrophobicContact CG2-CD1 3.98Å
82D90.4Very high84.3Confident77 Ų7761.1 Ų61.141%0.41233%0.328SS..EExtended strand (participates in β ladder)trans-147.8161.9179.1-172.823.6000111.1K91D82-K91 HydrophobicContact CB-CB 4.36Å; D82-K91 PolarHBondContact N-O 3.45Å; D82-K91 WeakPolarHBondContact O-CB 3.49Å; D82-K91 PolarHBondContact O-N 3.03Å
83F87.6Confident85.1Confident33 Ų3361.7 Ų61.715%0.14533%0.333CS..  trans-13479.8-178.2-64.8-84.8000110.1V61 I63 M70 V81 D85 S89 L90V61-F83 HydrophobicContact CG1-CE2 4.23Å; V61-F83 HydrophobicContact CG1-CZ 4.05Å; V61-F83 HydrophobicContact CG2-CZ 4.48Å; I63-F83 HydrophobicContact CD1-CD1 4.16Å; I63-F83 HydrophobicContact CD1-CE1 3.52Å; I63-F83 HydrophobicContact CD1-CE2 4.15Å; I63-F83 HydrophobicContact CD1-CZ 3.51Å; I63-F83 HydrophobicContact CG1-CZ 4.37Å; M70-F83 HydrophobicContact CE-CD2 4.16Å; M70-F83 HydrophobicContact CE-CE2 4.05Å; M70-F83 HydrophobicContact SD-CD2 3.52Å; M70-F83 VanDerWaalsContact SD-CD2 3.52Å; M70-F83 HydrophobicContact SD-CE2 3.45Å; M70-F83 WeakPolarHBondContact SD-CE2 3.38Å; V81-F83 HydrophobicContact CG1-CD2 4.47Å; V81-F83 HydrophobicContact CG1-CE2 3.64Å; V81-F83 HydrophobicContact CG1-CZ 4.12Å; F83-D85 PolarHBondContact O-N 2.86Å; F83-S89 WeakPolarHBondContact CD1-O 2.99Å; F83-L90 HydrophobicContact CE1-CB 4.01Å; F83-L90 HydrophobicContact CE1-CD1 3.96Å; F83-L90 HydrophobicContact CE2-CD1 4.31Å; F83-L90 HydrophobicContact CZ-CB 4.5Å; F83-L90 HydrophobicContact CZ-CD1 3.63Å
84P79.4Confident85.8Confident59 Ų5964 Ų6438%0.38334%0.336SS..THydrogen-bonded Turntrans-73.2-26.6-160.226-35.3000115.7K91P84-K91 HydrophobicContact CG-CB 4.32Å; P84-K91 HydrophobicContact CG-CD 4.22Å
85D71.9Confident86.7Confident128 Ų12862.3 Ų62.368%0.68433%0.328SS*.THydrogen-bonded Turntrans-101.714.1-166.7-57.8-38.3000113.8F83 G87F83-D85 PolarHBondContact O-N 2.86Å; D85-G87 PolarHBondContact O-N 2.78Å
86G65.9Low87.5Confident78 Ų7862 Ų6280%0.80432%0.321SS*.SBendtrans65.1-6.2-171.700000114.6
87G78Confident88.1Confident33 Ų3359.8 Ų59.834%0.3432%0.315SS..SBendtrans-89.5-161.5166.300000112.1D85D85-G87 PolarHBondContact O-N 2.78Å
88Y83.7Confident88.5Confident76 Ų7664.3 Ų64.330%0.29834%0.339SS..SBendtrans-110.617.9-171.5-52.6-65.4000113.7V48 I51 I63 P65 L90V48-Y88 HydrophobicContact CG2-CE2 4.3Å; I51-Y88 HydrophobicContact CD1-CD1 3.27Å; I51-Y88 HydrophobicContact CD1-CD2 3.41Å; I51-Y88 VanDerWaalsContact CD1-CD2 3.41Å; I51-Y88 HydrophobicContact CD1-CE1 3.77Å; I51-Y88 HydrophobicContact CD1-CE2 3.91Å; I51-Y88 HydrophobicContact CD1-CG 3.04Å; I63-Y88 HydrophobicContact CD1-CD1 4.47Å; I63-Y88 HydrophobicContact CG2-CD1 4.5Å; I63-Y88 HydrophobicContact CG2-CE1 4.43Å; P65-Y88 WeakPolarHBondContact CB-OH 3.28Å; P65-Y88 HydrophobicContact CG-CE1 4.1Å; P65-Y88 VanDerWaalsContact CG-OH 3.29Å; P65-Y88 WeakPolarHBondContact CG-OH 3.5Å; Y88-L90 PolarHBondContact O-N 3.08Å
89S90.2Very high89.1Confident18 Ų1858.9 Ų58.913%0.12632%0.316CS..  trans-70.1116.9172.7-67.10000109.4F39 L41 F83F39-S89 WeakPolarHBondContact O-CA 3.29Å; L41-S89 PolarHBondContact N-OG 3.14Å; F83-S89 WeakPolarHBondContact CD1-O 2.99Å
90L92.6Very high89.5Confident0 Ų052.6 Ų52.60%029%0.291CS..EExtended strand (participates in β ladder)trans-74128.7178.4173.467.2000110T38 F39 W53 L60 V61 V81 F83 Y88T38-L90 CarbonylContact C-O 3.54Å; T38-L90 WeakPolarHBondContact CA-O 3.45Å; F39-L90 HydrophobicContact CB-CB 4.29Å; F39-L90 HydrophobicContact CD2-CB 4.09Å; F39-L90 HydrophobicContact CD2-CD2 3.9Å; F39-L90 HydrophobicContact CD2-CG 3.94Å; F39-L90 WeakPolarHBondContact CD2-O 3.34Å; F39-L90 HydrophobicContact CE2-CD2 4.12Å; F39-L90 HydrophobicContact CE2-CG 4.43Å; F39-L90 PolarHBondContact N-O 3.3Å; W53-L90 HydrophobicContact CD2-CB 3.98Å; W53-L90 HydrophobicContact CD2-CD2 3.75Å; W53-L90 HydrophobicContact CD2-CG 4.47Å; W53-L90 HydrophobicContact CE3-CB 4.3Å; W53-L90 HydrophobicContact CE3-CD2 3.7Å; W53-L90 HydrophobicContact CG-CD2 4.11Å; W53-L90 HydrophobicContact CH2-CB 4.02Å; W53-L90 HydrophobicContact CZ2-CB 3.65Å; W53-L90 HydrophobicContact CZ3-CB 4.32Å; W53-L90 HydrophobicContact CZ3-CD2 4.22Å; L60-L90 HydrophobicContact CD2-CD2 3.76Å; V61-L90 HydrophobicContact CG2-CD1 4.39Å; V81-L90 HydrophobicContact CB-CD1 4.34Å; V81-L90 HydrophobicContact CG1-CD1 3.56Å; V81-L90 HydrophobicContact CG2-CD1 4.17Å; F83-L90 HydrophobicContact CE1-CB 4.01Å; F83-L90 HydrophobicContact CE1-CD1 3.96Å; F83-L90 HydrophobicContact CE2-CD1 4.31Å; F83-L90 HydrophobicContact CZ-CB 4.5Å; F83-L90 HydrophobicContact CZ-CD1 3.63Å; Y88-L90 PolarHBondContact O-N 3.08Å
91K94.9Very high89.6Confident65 Ų6552.7 Ų52.728%0.28330%0.297SS..EExtended strand (participates in β ladder)trans-107.1125.6166.3-178.4-180174-172.60109.4V37 V81 D82 P84V37-K91 WeakPolarHBondContact O-CA 3.42Å; V81-K91 WeakPolarHBondContact CA-O 3.2Å; D82-K91 HydrophobicContact CB-CB 4.36Å; D82-K91 PolarHBondContact N-O 3.45Å; D82-K91 WeakPolarHBondContact O-CB 3.49Å; D82-K91 PolarHBondContact O-N 3.03Å; P84-K91 HydrophobicContact CG-CB 4.32Å; P84-K91 HydrophobicContact CG-CD 4.22Å
92L96.3Very high89.8Confident1 Ų156.3 Ų56.31%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-112.9120.1174.8-17565.9000109.8A36 V37 F39 R80 V81 L95 D99 Y103A36-L92 CarbonylContact C-O 3.58Å; A36-L92 WeakPolarHBondContact CA-O 3.5Å; V37-L92 HydrophobicContact CG1-CB 4.45Å; V37-L92 PolarHBondContact N-O 2.8Å; V37-L92 PolarHBondContact O-N 3.18Å; F39-L92 HydrophobicContact CE2-CB 4.05Å; R80-L92 HydrophobicContact CB-CD1 4.05Å; R80-L92 CarbonylContact O-C 3.56Å; R80-L92 WeakPolarHBondContact O-CA 3.47Å; V81-L92 HydrophobicContact CG2-CD1 3.98Å; L92-L95 HydrophobicContact CB-CD2 4.3Å; L92-L95 HydrophobicContact CD2-CD2 3.72Å; L92-L95 HydrophobicContact CG-CD2 3.82Å; L92-D99 HydrophobicContact CD2-CB 4.27Å; L92-Y103 HydrophobicContact CD2-CE1 4.38Å; L92-Y103 WeakPolarHBondContact CD2-OH 3.39Å
93S97Very high90.1Very high27 Ų2752.8 Ų52.819%0.18930%0.295CS..EExtended strand (participates in β ladder)trans-108.5166.5-173.7-48.70000112.3G35 R80 L95G35-S93 CarbonylContact O-C 3.6Å; R80-S93 PolarHBondContact NE-O 2.94Å; R80-S93 PolarHBondContact NH2-O 2.96Å; R80-S93 PolarHBondContact O-N 2.94Å; R80-S93 PolarHBondContact O-OG 3.39Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 2.8Å
94K96.5Very high90.5Very high129 Ų12952.2 Ų52.256%0.56129%0.294SS*.SBendtrans51.451.1179.6-58.5175.6-177.9172.10110.7G35 R80G35-K94 WeakPolarHBondContact O-CA 3.34Å; G35-K94 PolarHBondContact O-N 2.79Å; R80-K94 PolarHBondContact NE-O 3.41Å; R80-K94 PolarHBondContact NH2-O 3.32Å
95L97.1Very high91.1Very high2 Ų249.4 Ų49.41%0.0128%0.276CS..  trans-57.9143.9-173.7-69.8174.3000112.2S32 G34 G35 V37 L92 S93 D99 L122 V124S32-L95 WeakPolarHBondContact O-CB 3.46Å; G34-L95 PolarHBondContact N-O 3.03Å; G35-L95 PolarHBondContact O-N 3.21Å; V37-L95 HydrophobicContact CB-CD1 4.18Å; V37-L95 HydrophobicContact CG1-CD1 4.16Å; V37-L95 HydrophobicContact CG1-CD2 4.26Å; L92-L95 HydrophobicContact CB-CD2 4.3Å; L92-L95 HydrophobicContact CD2-CD2 3.72Å; L92-L95 HydrophobicContact CG-CD2 3.82Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 2.8Å; L95-D99 HydrophobicContact CD2-CB 4.44Å; L95-L122 HydrophobicContact CD2-CD2 4.11Å; L95-V124 HydrophobicContact CB-CG1 4.14Å; L95-V124 HydrophobicContact CB-CG2 4.47Å; L95-V124 HydrophobicContact CD1-CG2 4.5Å
96K94.9Very high92.1Very high115 Ų11545.5 Ų45.550%0.525%0.253SS..  trans-122.9157.4176.1-59.5179.6-178.2-178.10108.5N98 D99K96-N98 VanDerWaalsContact CB-OD1 3.31Å; K96-N98 WeakPolarHBondContact CB-OD1 3.33Å; K96-N98 PolarHBondContact O-N 2.85Å; K96-N98 VanDerWaalsContact O-N 3.17Å; K96-D99 WeakPolarHBondContact CA-OD2 3.38Å; K96-D99 WeakPolarHBondContact CB-OD2 3.48Å; K96-D99 PolarHBondContact N-OD2 2.88Å; K96-D99 WeakPolarHBondContact O-CB 3.21Å; K96-D99 PolarHBondContact O-N 2.95Å
97K92.5Very high93.3Very high93 Ų9341.8 Ų41.840%0.40422%0.215SC..G310 helixtrans-54.7-38.6-179.5-167.768.7175.5-172.40112.6I33 D99 S100 V124 E157I33-K97 HydrophobicContact CD1-CB 4.41Å; K97-D99 VanDerWaalsContact C-N 3.26Å; K97-D99 PolarHBondContact O-N 2.91Å; K97-S100 WeakPolarHBondContact O-CB 3.28Å; K97-S100 PolarHBondContact O-N 2.89Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-S100 PolarHBondContact O-OG 2.92Å; K97-V124 VanDerWaalsContact CD-O 3.26Å; K97-V124 WeakPolarHBondContact CD-O 3.4Å; K97-V124 WeakPolarHBondContact CE-O 3.26Å; K97-V124 PolarHBondContact NZ-O 2.99Å; K97-E157 IonicContact NZ-OE1 3.88Å; K97-E157 PolarHBondContact NZ-OE1 2.85Å
98N93.6Very high94Very high98 Ų9844.5 Ų44.552%0.52422%0.216SC..G310 helixtrans-76.8-2.2-179.370.3-8.8000115.3K96K96-N98 VanDerWaalsContact CB-OD1 3.31Å; K96-N98 WeakPolarHBondContact CB-OD1 3.33Å; K96-N98 PolarHBondContact O-N 2.85Å; K96-N98 VanDerWaalsContact O-N 3.17Å
99D95.5Very high94.3Very high5 Ų541.3 Ų41.33%0.02721%0.205CC..G310 helixtrans-81.3-5.5166.7-54.9-58.8000111.2R80 L92 L95 K96 K97 G101 Y103 V124R80-D99 IonicContact CZ-OD1 3.72Å; R80-D99 IonicContact CZ-OD2 3.45Å; R80-D99 IonicContact NH1-OD1 3.04Å; R80-D99 PolarHBondContact NH1-OD1 2.82Å; R80-D99 IonicContact NH1-OD2 3.41Å; R80-D99 PolarHBondContact NH1-OD2 3.14Å; R80-D99 IonicContact NH2-OD1 3.51Å; R80-D99 IonicContact NH2-OD2 2.63Å; R80-D99 PolarHBondContact NH2-OD2 3.33Å; L92-D99 HydrophobicContact CD2-CB 4.27Å; L95-D99 HydrophobicContact CD2-CB 4.44Å; K96-D99 WeakPolarHBondContact CA-OD2 3.38Å; K96-D99 WeakPolarHBondContact CB-OD2 3.48Å; K96-D99 PolarHBondContact N-OD2 2.88Å; K96-D99 WeakPolarHBondContact O-CB 3.21Å; K96-D99 PolarHBondContact O-N 2.95Å; K97-D99 VanDerWaalsContact C-N 3.26Å; K97-D99 PolarHBondContact O-N 2.91Å; D99-G101 PolarHBondContact O-N 3.04Å; D99-Y103 WeakPolarHBondContact O-CE2 3.32Å; D99-Y103 PolarHBondContact O-OH 3.31Å; D99-V124 HydrophobicContact CB-CG2 4.5Å
100S95.8Very high94.2Very high40 Ų4045.3 Ų45.328%0.2823%0.232SC..  trans-63.5133.9170.7-52.80000110.1K97 L122 V124K97-S100 WeakPolarHBondContact O-CB 3.28Å; K97-S100 PolarHBondContact O-N 2.89Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-S100 PolarHBondContact O-OG 2.92Å; S100-L122 CarbonylContact C-O 3.6Å; S100-L122 WeakPolarHBondContact CA-O 3.36Å; S100-L122 WeakPolarHBondContact CB-O 3.5Å; S100-V124 WeakPolarHBondContact OG-CB 3.36Å; S100-V124 PolarHBondContact OG-N 2.73Å
101G96Very high93.9Very high17 Ų1748.9 Ų48.918%0.17526%0.257CS..EExtended strand (participates in β ladder)trans155-166.1-179.100000113.3D99 L122D99-G101 PolarHBondContact O-N 3.04Å; G101-L122 PolarHBondContact N-O 2.94Å; G101-L122 PolarHBondContact O-N 2.81Å
102I96.9Very high93.5Very high88 Ų8849.1 Ų49.145%0.45126%0.261SS..EExtended strand (participates in β ladder)trans-93128.2-175.8-58.2173.3000108.9N56 Y120 V121N56-I102 PolarHBondContact N-O 2.79Å; N56-I102 PolarHBondContact OD1-N 2.58Å; I102-Y120 CarbonylContact C-O 3.58Å; I102-Y120 WeakPolarHBondContact CA-O 3.41Å; I102-V121 HydrophobicContact CG1-CG2 4.37Å
103Y96.5Very high93Very high3 Ų358.3 Ų58.31%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-113.4123.6172-70.4-103.2000108.8F39 T54 F55 L60 L92 D99 K119 Y120 L122F39-Y103 HydrophobicContact CD1-CG 4.4Å; F39-Y103 AromaticContact CE1-CD1 3.99Å; F39-Y103 HydrophobicContact CE1-CD1 3.99Å; F39-Y103 AromaticContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CE2 4.29Å; F39-Y103 AromaticContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE1-CG 3.49Å; F39-Y103 VanDerWaalsContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE2-CD1 4.4Å; F39-Y103 HydrophobicContact CE2-CE1 4.47Å; F39-Y103 AromaticContact CZ-CD1 3.74Å; F39-Y103 HydrophobicContact CZ-CD1 3.74Å; F39-Y103 AromaticContact CZ-CD2 3.75Å; F39-Y103 HydrophobicContact CZ-CD2 3.75Å; F39-Y103 AromaticContact CZ-CE1 3.91Å; F39-Y103 HydrophobicContact CZ-CE1 3.91Å; F39-Y103 AromaticContact CZ-CE2 3.93Å; F39-Y103 HydrophobicContact CZ-CE2 3.93Å; F39-Y103 AromaticContact CZ-CG 3.65Å; F39-Y103 HydrophobicContact CZ-CG 3.65Å; T54-Y103 CarbonylContact O-C 3.48Å; T54-Y103 WeakPolarHBondContact O-CA 3.37Å; F55-Y103 HydrophobicContact CB-CD1 4.24Å; F55-Y103 HydrophobicContact CB-CE1 3.98Å; F55-Y103 HydrophobicContact CD2-CD1 4.14Å; F55-Y103 AromaticContact CD2-CD2 3.91Å; F55-Y103 HydrophobicContact CD2-CD2 3.91Å; F55-Y103 AromaticContact CD2-CE1 3.68Å; F55-Y103 HydrophobicContact CD2-CE1 3.68Å; F55-Y103 AromaticContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CE2 3.4Å; F55-Y103 VanDerWaalsContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CG 4.24Å; F55-Y103 AromaticContact CD2-CZ 3.28Å; F55-Y103 HydrophobicContact CE2-CD2 4.34Å; F55-Y103 AromaticContact CE2-CE2 3.58Å; F55-Y103 HydrophobicContact CE2-CE2 3.58Å; F55-Y103 AromaticContact CE2-CZ 3.68Å; F55-Y103 HydrophobicContact CG-CE1 4.09Å; L60-Y103 HydrophobicContact CD2-CD1 4.2Å; L60-Y103 HydrophobicContact CD2-CE1 3.89Å; L92-Y103 HydrophobicContact CD2-CE1 4.38Å; L92-Y103 WeakPolarHBondContact CD2-OH 3.39Å; D99-Y103 WeakPolarHBondContact O-CE2 3.32Å; D99-Y103 PolarHBondContact O-OH 3.31Å; Y103-K119 CarbonylContact O-C 3.55Å; Y103-K119 WeakPolarHBondContact O-CA 3.44Å; Y103-Y120 PolarHBondContact N-O 2.89Å; Y103-Y120 PolarHBondContact O-N 2.89Å; Y103-L122 HydrophobicContact CD2-CB 3.99Å; Y103-L122 HydrophobicContact CE2-CB 3.78Å; Y103-L122 HydrophobicContact CE2-CD2 3.91Å; Y103-L122 HydrophobicContact CE2-CG 4.48Å
104N94.8Very high92.6Very high21 Ų2162.9 Ų62.911%0.11233%0.326CS..EExtended strand (participates in β ladder)trans-111.5138.8175.9-169.851.3000109W53 T54 E106 I117 R118 K119W53-N104 CarbonylContact C-O 3.53Å; W53-N104 WeakPolarHBondContact CA-O 3.47Å; T54-N104 PolarHBondContact N-O 3.02Å; T54-N104 PolarHBondContact O-N 2.95Å; N104-E106 WeakPolarHBondContact ND2-CG 3.29Å; N104-E106 PolarHBondContact ND2-OE1 2.85Å; N104-E106 VanDerWaalsContact ND2-OE1 3.14Å; N104-I117 WeakPolarHBondContact OD1-CG2 3.16Å; N104-R118 PolarHBondContact OD1-O 3.44Å; N104-K119 WeakPolarHBondContact OD1-CG 3.17Å
105V93.1Very high92.3Very high0 Ų058.5 Ų58.50%031%0.311CS..EExtended strand (participates in β ladder)trans-121.5131.9168.659.60000109.4L41 I51 V52 W53 I107 I117 R118 Y120L41-V105 HydrophobicContact CD1-CG1 3.72Å; L41-V105 HydrophobicContact CD2-CG2 4.19Å; I51-V105 HydrophobicContact CG2-CG2 3.61Å; V52-V105 WeakPolarHBondContact O-CA 3.48Å; W53-V105 HydrophobicContact CD2-CB 3.77Å; W53-V105 HydrophobicContact CD2-CG2 3.89Å; W53-V105 HydrophobicContact CE3-CB 3.76Å; W53-V105 HydrophobicContact CE3-CG2 4.39Å; W53-V105 HydrophobicContact CG-CB 4.48Å; W53-V105 HydrophobicContact CG-CG2 4.3Å; W53-V105 HydrophobicContact CH2-CB 3.82Å; W53-V105 HydrophobicContact CH2-CG1 3.86Å; W53-V105 HydrophobicContact CH2-CG2 4.28Å; W53-V105 HydrophobicContact CZ2-CB 3.84Å; W53-V105 HydrophobicContact CZ2-CG1 4.15Å; W53-V105 HydrophobicContact CZ2-CG2 3.78Å; W53-V105 HydrophobicContact CZ3-CB 3.79Å; W53-V105 HydrophobicContact CZ3-CG1 4.1Å; V105-I107 HydrophobicContact CG2-CG1 4.39Å; V105-I117 WeakPolarHBondContact O-CA 3.48Å; V105-R118 HydrophobicContact CG1-CB 3.76Å; V105-R118 WeakPolarHBondContact CG1-O 3.26Å; V105-R118 PolarHBondContact N-O 2.98Å; V105-R118 PolarHBondContact O-N 3.2Å; V105-Y120 HydrophobicContact CG1-CE2 4.09Å
106E93.1Very high91.9Very high47 Ų4761.3 Ų61.322%0.2232%0.324CS..EExtended strand (participates in β ladder)trans-119.9125177.3-61.8177.8151.800108I51 V52 N104 Y108 F116 I117I51-E106 WeakPolarHBondContact CA-O 3.31Å; V52-E106 PolarHBondContact N-O 2.63Å; V52-E106 PolarHBondContact O-N 2.93Å; N104-E106 WeakPolarHBondContact ND2-CG 3.29Å; N104-E106 PolarHBondContact ND2-OE1 2.85Å; N104-E106 VanDerWaalsContact ND2-OE1 3.14Å; E106-Y108 HydrophobicContact CB-CE2 3.93Å; E106-Y108 PolarHBondContact OE2-OH 2.95Å; E106-F116 CarbonylContact C-O 3.52Å; E106-F116 WeakPolarHBondContact CA-O 3.39Å; E106-I117 HydrophobicContact CG-CG1 4.25Å; E106-I117 HydrophobicContact CG-CG2 4.44Å
107I91.3Very high91.7Very high0 Ų059.9 Ų59.90%032%0.32CS..EExtended strand (participates in β ladder)trans-111.4115.9177.7-52.8177.7000107.4L41 V48 I51 V105 P115 F116L41-I107 HydrophobicContact CD1-CD1 4.29Å; L41-I107 HydrophobicContact CD2-CD1 3.75Å; L41-I107 HydrophobicContact CD2-CG1 4.38Å; L41-I107 HydrophobicContact CG-CD1 4.2Å; V48-I107 HydrophobicContact CB-CG2 4.38Å; V48-I107 HydrophobicContact CG1-CG2 3.63Å; V48-I107 HydrophobicContact CG2-CG2 3.91Å; I51-I107 HydrophobicContact CG1-CG1 4.44Å; I51-I107 HydrophobicContact CG1-CG2 4.33Å; I51-I107 HydrophobicContact CG2-CG1 4.39Å; V105-I107 HydrophobicContact CG2-CG1 4.39Å; I107-P115 CarbonylContact O-C 3.6Å; I107-P115 VanDerWaalsContact O-CA 3.28Å; I107-P115 WeakPolarHBondContact O-CA 3.41Å; I107-F116 HydrophobicContact CB-CB 4.2Å; I107-F116 HydrophobicContact CB-CD1 4.49Å; I107-F116 HydrophobicContact CD1-CD1 3.69Å; I107-F116 HydrophobicContact CD1-CE1 4.32Å; I107-F116 HydrophobicContact CG1-CD1 4.1Å; I107-F116 PolarHBondContact N-O 2.77Å; I107-F116 PolarHBondContact O-N 3.16Å
108Y91.3Very high91.7Very high90 Ų9058.8 Ų58.835%0.35331%0.314SS..EExtended strand (participates in β ladder)trans-94.4137.5175-62.3-89.9000110D49 S50 V52 E106 P115D49-Y108 PolarHBondContact N-O 2.98Å; S50-Y108 PolarHBondContact N-O 2.79Å; S50-Y108 PolarHBondContact O-N 2.95Å; S50-Y108 WeakPolarHBondContact OG-CD2 3.14Å; V52-Y108 HydrophobicContact CG2-CD2 4.49Å; V52-Y108 HydrophobicContact CG2-CE2 4.08Å; E106-Y108 HydrophobicContact CB-CE2 3.93Å; E106-Y108 PolarHBondContact OE2-OH 2.95Å; Y108-P115 HydrophobicContact CD1-CB 3.81Å; Y108-P115 HydrophobicContact CD1-CG 4.34Å; Y108-P115 HydrophobicContact CE1-CB 3.71Å; Y108-P115 HydrophobicContact CE1-CG 3.83Å; Y108-P115 HydrophobicContact CG-CB 4.3Å
109S89.9Confident91.7Very high9 Ų959.1 Ų59.16%0.06331%0.31CS..  trans-148136179176.90000109.6Q47 S111 L112Q47-S109 WeakPolarHBondContact O-CB 3.47Å; Q47-S109 PolarHBondContact O-OG 3.13Å; S109-S111 PolarHBondContact O-N 3.22Å; S109-S111 VanDerWaalsContact O-N 3.13Å; S109-S111 PolarHBondContact OG-N 3.13Å; S109-S111 VanDerWaalsContact OG-N 3.09Å; S109-S111 PolarHBondContact OG-OG 2.86Å; S109-L112 PolarHBondContact O-N 2.81Å; S109-L112 VanDerWaalsContact O-O 3.05Å
110S89.2Confident91.8Very high101 Ų10158.9 Ų58.971%0.70631%0.309SS*.THydrogen-bonded Turntrans-61.8-17.1171.1-65.30000112.5D49D49-S110 WeakPolarHBondContact OD2-CB 3.32Å; D49-S110 PolarHBondContact OD2-N 2.71Å; D49-S110 PolarHBondContact OD2-OG 3.47Å
111S86.8Confident91.8Very high76 Ų7658.6 Ų58.653%0.53131%0.306SS..THydrogen-bonded Turntrans-84.5-8.8174.472.80000114.3S109S109-S111 PolarHBondContact O-N 3.22Å; S109-S111 VanDerWaalsContact O-N 3.13Å; S109-S111 PolarHBondContact OG-N 3.13Å; S109-S111 VanDerWaalsContact OG-N 3.09Å; S109-S111 PolarHBondContact OG-OG 2.86Å
112L84.6Confident91.9Very high69 Ų6957.9 Ų57.936%0.36130%0.298SS..  trans-116.7141.5-179.4-62.3177.1000110.3V45 S109 D114 F116V45-L112 HydrophobicContact CG1-CD1 4.3Å; V45-L112 HydrophobicContact CG2-CD1 3.77Å; S109-L112 PolarHBondContact O-N 2.81Å; S109-L112 VanDerWaalsContact O-O 3.05Å; L112-D114 WeakPolarHBondContact CB-O 3.41Å; L112-F116 HydrophobicContact CD1-CB 4.28Å
113Q87.1Confident91.9Very high195 Ų19558.5 Ų58.591%0.91130%0.295SS*.SBendtrans-74.5-37.9174.4-172161.740.500111.8
114D88.1Confident91.8Very high122 Ų12258.4 Ų58.465%0.65229%0.294SS*.SBendtrans-119.7148.7176.5-67.6-67.8000110.2L112L112-D114 WeakPolarHBondContact CB-O 3.41Å
115P90.1Very high91.7Very high37 Ų3758 Ų5824%0.2429%0.291CS..  trans-62.5144.6176.326.2-33.2000110.9I107 Y108 I117I107-P115 CarbonylContact O-C 3.6Å; I107-P115 VanDerWaalsContact O-CA 3.28Å; I107-P115 WeakPolarHBondContact O-CA 3.41Å; Y108-P115 HydrophobicContact CD1-CB 3.81Å; Y108-P115 HydrophobicContact CD1-CG 4.34Å; Y108-P115 HydrophobicContact CE1-CB 3.71Å; Y108-P115 HydrophobicContact CE1-CG 3.83Å; Y108-P115 HydrophobicContact CG-CB 4.3Å; P115-I117 HydrophobicContact CG-CD1 4.46Å; P115-I117 HydrophobicContact CG-CG1 4.39Å; P115-I117 WeakPolarHBondContact O-CG1 3.15Å; P115-I117 PolarHBondContact O-N 3.38Å
116F89.5Confident91.7Very high62 Ų6262.6 Ų62.627%0.27231%0.313SS..EExtended strand (participates in β ladder)trans-73.5124.2168171.9-88.2000109L41 E106 I107 L112 R118L41-F116 HydrophobicContact CD1-CE1 4.33Å; E106-F116 CarbonylContact C-O 3.52Å; E106-F116 WeakPolarHBondContact CA-O 3.39Å; I107-F116 HydrophobicContact CB-CB 4.2Å; I107-F116 HydrophobicContact CB-CD1 4.49Å; I107-F116 HydrophobicContact CD1-CD1 3.69Å; I107-F116 HydrophobicContact CD1-CE1 4.32Å; I107-F116 HydrophobicContact CG1-CD1 4.1Å; I107-F116 PolarHBondContact N-O 2.77Å; I107-F116 PolarHBondContact O-N 3.16Å; L112-F116 HydrophobicContact CD1-CB 4.28Å; F116-R118 HydrophobicContact CE1-CB 3.95Å; F116-R118 HydrophobicContact CZ-CB 4.33Å
117I90.5Very high91.6Very high84 Ų8465.9 Ų65.943%0.43133%0.328SS..EExtended strand (participates in β ladder)trans-115.2134.3-175.8-51.6-176.3000110.2N104 V105 E106 P115N104-I117 WeakPolarHBondContact OD1-CG2 3.16Å; V105-I117 WeakPolarHBondContact O-CA 3.48Å; E106-I117 HydrophobicContact CG-CG1 4.25Å; E106-I117 HydrophobicContact CG-CG2 4.44Å; P115-I117 HydrophobicContact CG-CD1 4.46Å; P115-I117 HydrophobicContact CG-CG1 4.39Å; P115-I117 WeakPolarHBondContact O-CG1 3.15Å; P115-I117 PolarHBondContact O-N 3.38Å
118R91.7Very high91.7Very high70 Ų7066.7 Ų66.726%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-136.8134.1169.6-172.8173.5-73.2177.54.8111.5P40 K42 N104 V105 F116 Y120P40-R118 PolarHBondContact O-NH1 2.94Å; K42-R118 PolarHBondContact O-NH2 3Å; K42-R118 VanDerWaalsContact O-NH2 3.08Å; N104-R118 PolarHBondContact OD1-O 3.44Å; V105-R118 HydrophobicContact CG1-CB 3.76Å; V105-R118 WeakPolarHBondContact CG1-O 3.26Å; V105-R118 PolarHBondContact N-O 2.98Å; V105-R118 PolarHBondContact O-N 3.2Å; F116-R118 HydrophobicContact CE1-CB 3.95Å; F116-R118 HydrophobicContact CZ-CB 4.33Å; R118-Y120 HydrophobicContact CB-CE2 4.36Å; R118-Y120 WeakPolarHBondContact CD-OH 3.43Å; R118-Y120 HydrophobicContact CG-CE2 3.82Å
119K94.7Very high91.7Very high105 Ų10564.8 Ų64.846%0.45733%0.332SS..EExtended strand (participates in β ladder)trans-112137.7-178-68.7178.3-176.6177.40111.5V26 K27 Y103 N104V26-K119 HydrophobicContact CG2-CB 4.18Å; K27-K119 PolarHBondContact N-O 3.17Å; Y103-K119 CarbonylContact O-C 3.55Å; Y103-K119 WeakPolarHBondContact O-CA 3.44Å; N104-K119 WeakPolarHBondContact OD1-CG 3.17Å
120Y96.4Very high91.9Very high0 Ų069.5 Ų69.50%035%0.351CS..EExtended strand (participates in β ladder)trans-125.9149.5174.1-54-94.9000110.6K27 L29 F39 P40 W53 I102 Y103 V105 R118K27-Y120 HydrophobicContact CB-CD1 3.87Å; K27-Y120 HydrophobicContact CB-CE1 4.25Å; K27-Y120 HydrophobicContact CD-CD1 4.36Å; K27-Y120 HydrophobicContact CD-CE1 4.13Å; K27-Y120 HydrophobicContact CG-CD1 4.37Å; K27-Y120 CarbonylContact O-C 3.59Å; K27-Y120 WeakPolarHBondContact O-CA 3.4Å; L29-Y120 HydrophobicContact CD1-CD1 3.74Å; L29-Y120 HydrophobicContact CD1-CE1 4.43Å; L29-Y120 HydrophobicContact CD1-CG 4.23Å; L29-Y120 HydrophobicContact CG-CD1 4.16Å; F39-Y120 HydrophobicContact CB-CE2 4.34Å; F39-Y120 HydrophobicContact CD1-CD1 4.25Å; F39-Y120 AromaticContact CD1-CD2 3.95Å; F39-Y120 HydrophobicContact CD1-CD2 3.95Å; F39-Y120 AromaticContact CD1-CG 3.78Å; F39-Y120 HydrophobicContact CD1-CG 3.78Å; P40-Y120 HydrophobicContact CG-CE1 4.24Å; P40-Y120 PolarHBondContact O-OH 2.88Å; W53-Y120 HydrophobicContact CH2-CD2 4.46Å; W53-Y120 AromaticContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CZ3-CD2 4.09Å; W53-Y120 AromaticContact CZ3-CE2 3.91Å; W53-Y120 HydrophobicContact CZ3-CE2 3.91Å; I102-Y120 CarbonylContact C-O 3.58Å; I102-Y120 WeakPolarHBondContact CA-O 3.41Å; Y103-Y120 PolarHBondContact N-O 2.89Å; Y103-Y120 PolarHBondContact O-N 2.89Å; V105-Y120 HydrophobicContact CG1-CE2 4.09Å; R118-Y120 HydrophobicContact CB-CE2 4.36Å; R118-Y120 WeakPolarHBondContact CD-OH 3.43Å; R118-Y120 HydrophobicContact CG-CE2 3.82Å
121V97.1Very high92.2Very high35 Ų3564.9 Ų64.921%0.21232%0.319CS..EExtended strand (participates in β ladder)trans-116.1114.2168174.70000107.3V26 K27 E28 L29 I102 R123V26-V121 HydrophobicContact CG1-CB 4.42Å; V26-V121 HydrophobicContact CG1-CG2 3.51Å; K27-V121 PolarHBondContact O-N 3.06Å; E28-V121 CarbonylContact C-O 3.6Å; E28-V121 WeakPolarHBondContact CA-O 3.26Å; L29-V121 PolarHBondContact N-O 3.2Å; I102-V121 HydrophobicContact CG1-CG2 4.37Å; V121-R123 HydrophobicContact CG1-CG 4.47Å
122L97.3Very high92.6Very high1 Ų166.4 Ų66.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-93126.8174.217859.8000109.3L29 V37 F39 L95 S100 G101 Y103 V124L29-L122 HydrophobicContact CB-CD1 4.11Å; L29-L122 WeakPolarHBondContact O-CA 3.3Å; V37-L122 HydrophobicContact CB-CD1 4.4Å; V37-L122 HydrophobicContact CG1-CD1 3.93Å; V37-L122 HydrophobicContact CG1-CD2 4.01Å; V37-L122 HydrophobicContact CG2-CD1 4.3Å; F39-L122 HydrophobicContact CE1-CB 4.47Å; F39-L122 HydrophobicContact CZ-CB 4.46Å; F39-L122 HydrophobicContact CZ-CD2 4.06Å; L95-L122 HydrophobicContact CD2-CD2 4.11Å; S100-L122 CarbonylContact C-O 3.6Å; S100-L122 WeakPolarHBondContact CA-O 3.36Å; S100-L122 WeakPolarHBondContact CB-O 3.5Å; G101-L122 PolarHBondContact N-O 2.94Å; G101-L122 PolarHBondContact O-N 2.81Å; Y103-L122 HydrophobicContact CD2-CB 3.99Å; Y103-L122 HydrophobicContact CE2-CB 3.78Å; Y103-L122 HydrophobicContact CE2-CD2 3.91Å; Y103-L122 HydrophobicContact CE2-CG 4.48Å; L122-V124 HydrophobicContact CD1-CG2 4.37Å; L122-V124 HydrophobicContact CD2-CG2 4.01Å; L122-V124 HydrophobicContact CG-CG2 3.93Å
123R95.8Very high93.1Very high102 Ų10265 Ų6539%0.38531%0.31SS..EExtended strand (participates in β ladder)trans-112.2122166.3-62.4-170.1-173.8-92.9-6.1110E28 L29 V30 G31 V121 Y125 D159E28-R123 WeakPolarHBondContact OE1-CD 3.22Å; E28-R123 IonicContact OE1-CZ 2.77Å; E28-R123 IonicContact OE1-NE 3.85Å; E28-R123 PolarHBondContact OE1-NE 3.27Å; L29-R123 PolarHBondContact O-N 2.84Å; V30-R123 WeakPolarHBondContact CA-O 3.4Å; G31-R123 PolarHBondContact N-O 2.55Å; V121-R123 HydrophobicContact CG1-CG 4.47Å; R123-Y125 HydrophobicContact CB-CD2 4.34Å; R123-Y125 HydrophobicContact CB-CE2 3.53Å; R123-Y125 WeakPolarHBondContact CD-OH 3.5Å; R123-D159 IonicContact NH1-OD2 3.62Å
124V95.4Very high93.4Very high1 Ų157.8 Ų57.81%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-102.7126.9177-173.30000109.7G31 I33 L95 K97 D99 S100 L122G31-V124 CarbonylContact O-C 3.57Å; G31-V124 VanDerWaalsContact O-CA 3.31Å; G31-V124 WeakPolarHBondContact O-CA 3.49Å; I33-V124 HydrophobicContact CG1-CG1 3.85Å; L95-V124 HydrophobicContact CB-CG1 4.14Å; L95-V124 HydrophobicContact CB-CG2 4.47Å; L95-V124 HydrophobicContact CD1-CG2 4.5Å; K97-V124 VanDerWaalsContact CD-O 3.26Å; K97-V124 WeakPolarHBondContact CD-O 3.4Å; K97-V124 WeakPolarHBondContact CE-O 3.26Å; K97-V124 PolarHBondContact NZ-O 2.99Å; D99-V124 HydrophobicContact CB-CG2 4.5Å; S100-V124 WeakPolarHBondContact OG-CB 3.36Å; S100-V124 PolarHBondContact OG-N 2.73Å; L122-V124 HydrophobicContact CD1-CG2 4.37Å; L122-V124 HydrophobicContact CD2-CG2 4.01Å; L122-V124 HydrophobicContact CG-CG2 3.93Å
125Y93.3Very high93.6Very high12 Ų1255.9 Ų55.95%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-116.7147.1-177.3-68-79.2000111.9V30 G31 S32 I33 R123 D159 N199 P200 V201V30-Y125 HydrophobicContact CG1-CD2 3.88Å; V30-Y125 HydrophobicContact CG1-CE2 4.11Å; G31-Y125 PolarHBondContact O-N 2.02Å; S32-Y125 CarbonylContact C-O 3.57Å; S32-Y125 VanDerWaalsContact CA-O 3.29Å; S32-Y125 WeakPolarHBondContact CA-O 3.31Å; I33-Y125 PolarHBondContact N-O 2.88Å; R123-Y125 HydrophobicContact CB-CD2 4.34Å; R123-Y125 HydrophobicContact CB-CE2 3.53Å; R123-Y125 WeakPolarHBondContact CD-OH 3.5Å; Y125-D159 HydrophobicContact CE1-CB 3.98Å; Y125-D159 PolarHBondContact OH-OD2 2.9Å; Y125-N199 HydrophobicContact CD1-CB 4.24Å; Y125-P200 HydrophobicContact CD2-CB 4.2Å; Y125-P200 HydrophobicContact CD2-CG 4.18Å; Y125-P200 HydrophobicContact CE1-CG 4.4Å; Y125-P200 HydrophobicContact CE2-CB 3.97Å; Y125-P200 HydrophobicContact CE2-CG 3.59Å; Y125-V201 VanDerWaalsContact CB-CG2 3.5Å; Y125-V201 HydrophobicContact CD2-CG1 4.27Å; Y125-V201 HydrophobicContact CG-CG2 4.5Å
126E91.9Very high93.5Very high96 Ų9655.7 Ų55.745%0.44927%0.273SS..PPolyproline II helixtrans-80.3156.5166.5-165.9169-171.800110.6I33 E157 N199I33-E126 HydrophobicContact CD1-CB 3.88Å; I33-E126 HydrophobicContact CD1-CG 4.18Å; E126-E157 VanDerWaalsContact CB-OE1 3.26Å; E126-E157 WeakPolarHBondContact CB-OE1 3.27Å; E126-E157 PolarHBondContact N-OE1 2.87Å; E126-E157 PolarHBondContact N-OE2 2.87Å; E126-N199 PolarHBondContact O-ND2 2.67Å
127H91.7Very high93.4Very high117 Ų11761 Ų6154%0.54230%0.303SS..PPolyproline II helixtrans-75.1128.9169.3-82.881.3000109.9S129H127-S129 PolarHBondContact O-N 2.86Å
128L92.3Very high93.2Very high16 Ų1660 Ų608%0.08430%0.297CS..PPolyproline II helixtrans-70.8126.2-178-61.6177.4000111.2M153 V160 V197 N199 S202 N204L128-M153 HydrophobicContact CB-CE 3.98Å; L128-M153 HydrophobicContact CD2-CE 4.05Å; L128-V160 HydrophobicContact CD1-CG1 4.13Å; L128-V160 HydrophobicContact CD2-CG2 3.82Å; L128-V197 HydrophobicContact CB-CG2 4.24Å; L128-V197 HydrophobicContact CD1-CB 4.14Å; L128-V197 HydrophobicContact CD1-CG2 3.96Å; L128-N199 HydrophobicContact CD1-CB 4.02Å; L128-N199 HydrophobicContact CG-CB 4.4Å; L128-S202 WeakPolarHBondContact CG-OG 3.31Å; L128-S202 PolarHBondContact N-OG 3.17Å; L128-N204 PolarHBondContact O-ND2 3.04Å
129S92.6Very high92.9Very high50 Ų5059.3 Ų59.335%0.3530%0.302SS..PPolyproline II helixtrans-69.7171.6168.764.30000111.5H127 M153H127-S129 PolarHBondContact O-N 2.86Å; S129-M153 VanDerWaalsContact O-CE 3.27Å; S129-M153 WeakPolarHBondContact O-CE 3.17Å
130K94.3Very high92.4Very high108 Ų10856.5 Ų56.547%0.4729%0.292SS..PPolyproline II helixtrans-68.2124.3179.5-175169.3179.4175.60109.8N204 S205 S207K130-N204 PolarHBondContact N-ND2 2.88Å; K130-S205 WeakPolarHBondContact CE-O 3.2Å; K130-S205 WeakPolarHBondContact CG-O 3.18Å; K130-S207 VanDerWaalsContact CE-N 3.29Å; K130-S207 WeakPolarHBondContact CE-OG 3.38Å; K130-S207 PolarHBondContact NZ-OG 3.03Å
131P95.6Very high91.6Very high5 Ų563.7 Ų63.73%0.03232%0.323CS..PPolyproline II helixtrans-68.6146.9-179.428.3-34.8000111.1C151 M153 V197P131-C151 VanDerWaalsContact CB-SG 3.6Å; P131-M153 HydrophobicContact CB-SD 3.75Å; P131-V197 HydrophobicContact CB-CG1 3.91Å; P131-V197 HydrophobicContact CB-CG2 4.24Å; P131-V197 HydrophobicContact CG-CG1 4.15Å; P131-V197 HydrophobicContact CG-CG2 3.95Å
132K94.4Very high90.9Very high108 Ų10869 Ų6947%0.4735%0.351SS..EExtended strand (participates in β ladder)trans-98.2139.9172.4-70.2-178.9173.71780109.2R152 E154K132-R152 HydrophobicContact CB-CG 4.26Å; K132-R152 PolarHBondContact N-O 3.36Å; K132-R152 WeakPolarHBondContact O-CG 3.34Å; K132-R152 PolarHBondContact O-N 2.84Å; K132-E154 HydrophobicContact CD-CG 4.36Å; K132-E154 WeakPolarHBondContact CE-OE1 3.45Å; K132-E154 IonicContact NZ-OE1 2.79Å; K132-E154 PolarHBondContact NZ-OE1 2.85Å
133V95.4Very high90.1Very high40 Ų4069.8 Ų69.824%0.24236%0.359CS..EExtended strand (participates in β ladder)trans-107.7134.2174.2175.80000109.2L149 T150 W164 C195 I209V133-L149 HydrophobicContact CG1-CB 4.16Å; V133-L149 HydrophobicContact CG1-CD2 4.44Å; V133-T150 CarbonylContact C-O 3.58Å; V133-T150 WeakPolarHBondContact CA-O 3.37Å; V133-W164 HydrophobicContact CB-CH2 4.32Å; V133-W164 HydrophobicContact CG1-CH2 3.68Å; V133-W164 HydrophobicContact CG2-CH2 3.65Å; V133-W164 HydrophobicContact CG2-CZ3 4.22Å; V133-C195 HydrophobicContact CG2-CB 4.14Å; V133-I209 HydrophobicContact CB-CD1 3.57Å; V133-I209 HydrophobicContact CG1-CD1 3.53Å; V133-I209 HydrophobicContact CG2-CD1 3.69Å
134T93.6Very high89.8Confident42 Ų4266.6 Ų66.626%0.25835%0.351SS..EExtended strand (participates in β ladder)trans-117.2148.4169.541.40000111.3L149 T150T134-L149 CarbonylContact O-C 3.55Å; T134-L149 WeakPolarHBondContact O-CA 3.38Å; T134-T150 PolarHBondContact N-O 2.91Å; T134-T150 PolarHBondContact O-N 3.15Å; T134-T150 PolarHBondContact OG1-O 3.27Å
135M91.2Very high89.6Confident82 Ų8266.6 Ų66.640%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-96.1137.2172.4-170171.26800109.4T147 L149 L214M135-T147 HydrophobicContact CG-CG2 3.84Å; M135-T147 WeakPolarHBondContact CG-OG1 3.39Å; M135-T147 HydrophobicContact SD-CG2 3.95Å; M135-L149 HydrophobicContact CB-CD2 4.26Å; M135-L149 HydrophobicContact CG-CD2 4.2Å; M135-L214 HydrophobicContact SD-CB 4.14Å; M135-L214 HydrophobicContact SD-CD2 3.83Å
136G88.3Confident89.5Confident34 Ų3469.1 Ų69.135%0.35137%0.367SS..  trans-78.3-167.3171.300000112.4Q138 T147 N148G136-Q138 PolarHBondContact O-N 3.02Å; G136-T147 PolarHBondContact O-OG1 2.94Å; G136-N148 PolarHBondContact N-O 2.82Å
137L87.1Confident89.6Confident172 Ų17264.8 Ų64.890%0.90135%0.347SS*.  trans-58.3136.3172.4-72.5164.1000110.1T147L137-T147 PolarHBondContact O-OG1 2.79Å
138Q87.3Confident89.7Confident65 Ų6562.9 Ų62.930%0.30434%0.341SS..  trans-102136.1178.1-178.1-179.678.900109.5G136 N140 C145 L214G136-Q138 PolarHBondContact O-N 3.02Å; Q138-N140 WeakPolarHBondContact CG-OD1 3.4Å; Q138-N140 PolarHBondContact OE1-ND2 2.82Å; Q138-C145 PolarHBondContact NE2-SG 2.78Å; Q138-L214 PolarHBondContact NE2-O 3.32Å
139S86.4Confident89.9Confident55 Ų5562.1 Ų62.139%0.38534%0.337SS..EExtended strand (participates in β ladder)trans-120125.8171.8177.10000108.6V146S139-V146 PolarHBondContact N-O 3.32Å; S139-V146 PolarHBondContact O-N 3Å
140N84.1Confident90Very high45 Ų4561.9 Ų61.924%0.24133%0.334CS..EExtended strand (participates in β ladder)trans-114.5115.9179.6-61.9-34.8000108.3Q138 T144 C145 A218Q138-N140 WeakPolarHBondContact CG-OD1 3.4Å; Q138-N140 PolarHBondContact OE1-ND2 2.82Å; N140-T144 WeakPolarHBondContact CA-O 3.38Å; N140-C145 WeakPolarHBondContact OD1-CA 3.02Å; N140-A218 HydrophobicContact CB-CB 3.92Å; N140-A218 WeakPolarHBondContact ND2-CA 3.47Å; N140-A218 VanDerWaalsContact ND2-CB 3.34Å; N140-A218 WeakPolarHBondContact ND2-CB 3.41Å; N140-A218 WeakPolarHBondContact OD1-CB 3.35Å
141K79.4Confident90.1Very high151 Ų15156.9 Ų56.966%0.65731%0.312SS*.EExtended strand (participates in β ladder)trans-134.8125.4176.3-67.5-173.7179.6-178.30109.1G143 T144K141-G143 PolarHBondContact O-N 2.95Å; K141-T144 PolarHBondContact N-O 3.12Å; K141-T144 WeakPolarHBondContact O-CB 2.92Å; K141-T144 PolarHBondContact O-N 2.86Å
142N81.2Confident89.9Confident148 Ų14862.9 Ų62.979%0.79133%0.334SS*.THydrogen-bonded Turntrans53.736.3176.6-56.5-11.6000114.3T144N142-T144 VanDerWaalsContact C-N 3.25Å; N142-T144 PolarHBondContact O-N 2.77Å
143G81Confident89.7Confident17 Ų1758.9 Ų58.918%0.17532%0.317CS..THydrogen-bonded Turntrans76.66.3-177.800000114.8K141 W186K141-G143 PolarHBondContact O-N 2.95Å; G143-W186 PolarHBondContact O-N 2.93Å
144T89.8Confident88.9Confident35 Ų3562.6 Ų62.622%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-98.7122.5170.7-54.90000110N140 K141 N142 V146N140-T144 WeakPolarHBondContact CA-O 3.38Å; K141-T144 PolarHBondContact N-O 3.12Å; K141-T144 WeakPolarHBondContact O-CB 2.92Å; K141-T144 PolarHBondContact O-N 2.86Å; N142-T144 VanDerWaalsContact C-N 3.25Å; N142-T144 PolarHBondContact O-N 2.77Å; T144-V146 HydrophobicContact CG2-CG2 4.07Å
145C90.4Very high87.9Confident0 Ų067 Ų670%035%0.349CS..EExtended strand (participates in β ladder)trans-92.2118.2175.6171.80000109.5Q138 N140 S183 W184 C215 A218Q138-C145 PolarHBondContact NE2-SG 2.78Å; N140-C145 WeakPolarHBondContact OD1-CA 3.02Å; C145-S183 WeakPolarHBondContact O-CA 3.3Å; C145-W184 WeakPolarHBondContact CB-O 3.47Å; C145-W184 PolarHBondContact N-O 2.04Å; C145-W184 PolarHBondContact O-N 3.5Å; C145-C215 HydrophobicContact CB-CB 3.49Å; C145-C215 VanDerWaalsContact CB-CB 3.49Å; C145-C215 WeakPolarHBondContact CB-SG 3.29Å; C145-C215 WeakPolarHBondContact SG-CB 3.42Å; C145-C215 CovalentContact SG-SG 2.04Å; C145-C215 PolarHBondContact SG-SG 3.46Å; C145-A218 HydrophobicContact CB-CB 4.25Å
146V92.6Very high86.4Confident66 Ų6666.5 Ų66.540%0.437%0.365SS..EExtended strand (participates in β ladder)trans-119.4124.2178.4-175.50000109.3S139 T144 I182S139-V146 PolarHBondContact N-O 3.32Å; S139-V146 PolarHBondContact O-N 3Å; T144-V146 HydrophobicContact CG2-CG2 4.07Å; V146-I182 WeakPolarHBondContact CA-O 3.49Å
147T92.1Very high85.2Confident4 Ų466.5 Ų66.53%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-157.7173.4176.8-169.10000110.9M135 G136 L137 I182M135-T147 HydrophobicContact CG-CG2 3.84Å; M135-T147 WeakPolarHBondContact CG-OG1 3.39Å; M135-T147 HydrophobicContact SD-CG2 3.95Å; G136-T147 PolarHBondContact O-OG1 2.94Å; L137-T147 PolarHBondContact O-OG1 2.79Å; T147-I182 HydrophobicContact CG2-CD1 3.52Å; T147-I182 HydrophobicContact CG2-CG1 3.46Å; T147-I182 VanDerWaalsContact CG2-CG1 3.46Å; T147-I182 PolarHBondContact N-O 3.41Å; T147-I182 VanDerWaalsContact N-O 3.09Å; T147-I182 VanDerWaalsContact O-CG1 3.3Å; T147-I182 WeakPolarHBondContact O-CG1 3.38Å; T147-I182 PolarHBondContact O-N 3.35Å
148N94.8Very high84.3Confident78 Ų7866.6 Ų66.642%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-114.9131.7175.2-67.4-22.3000109.6G136 I179 P181G136-N148 PolarHBondContact N-O 2.82Å; N148-I179 HydrophobicContact CB-CG2 4.08Å; N148-P181 VanDerWaalsContact OD1-CA 3.31Å; N148-P181 WeakPolarHBondContact OD1-CA 3.36Å; N148-P181 WeakPolarHBondContact OD1-CB 3.33Å
149L95.8Very high84Confident0 Ų067.7 Ų67.70%036%0.36CS..EExtended strand (participates in β ladder)trans-92.2131.2168.2-57.6-177.5000109V133 T134 M135 W164 I179 L180 I182 F193 L214V133-L149 HydrophobicContact CG1-CB 4.16Å; V133-L149 HydrophobicContact CG1-CD2 4.44Å; T134-L149 CarbonylContact O-C 3.55Å; T134-L149 WeakPolarHBondContact O-CA 3.38Å; M135-L149 HydrophobicContact CB-CD2 4.26Å; M135-L149 HydrophobicContact CG-CD2 4.2Å; L149-W164 HydrophobicContact CB-CH2 3.65Å; L149-W164 HydrophobicContact CB-CZ2 3.94Å; L149-W164 HydrophobicContact CB-CZ3 4.34Å; L149-W164 HydrophobicContact CD1-CH2 4.26Å; L149-W164 HydrophobicContact CD1-CZ3 4.17Å; L149-I179 CarbonylContact O-C 3.58Å; L149-I179 VanDerWaalsContact O-CA 3.29Å; L149-I179 WeakPolarHBondContact O-CA 3.45Å; L149-L180 HydrophobicContact CB-CB 4.41Å; L149-L180 PolarHBondContact N-O 3.1Å; L149-L180 PolarHBondContact O-N 2.8Å; L149-I182 HydrophobicContact CD1-CD1 4.38Å; L149-I182 HydrophobicContact CD1-CG2 4.13Å; L149-I182 HydrophobicContact CD2-CD1 4.39Å; L149-I182 HydrophobicContact CG-CD1 4.24Å; L149-I182 HydrophobicContact CG-CG2 4.22Å; L149-F193 HydrophobicContact CD1-CB 3.92Å; L149-F193 HydrophobicContact CD1-CD2 3.85Å; L149-F193 HydrophobicContact CD1-CG 3.92Å; L149-L214 HydrophobicContact CD1-CD1 4.1Å; L149-L214 HydrophobicContact CD2-CD1 3.84Å; L149-L214 HydrophobicContact CD2-CD2 4.4Å
150T95.9Very high84.2Confident44 Ų4466.2 Ų66.227%0.2735%0.349SS..EExtended strand (participates in β ladder)trans-115.8120.9175.7-540000109.2V133 T134 I179V133-T150 CarbonylContact C-O 3.58Å; V133-T150 WeakPolarHBondContact CA-O 3.37Å; T134-T150 PolarHBondContact N-O 2.91Å; T134-T150 PolarHBondContact O-N 3.15Å; T134-T150 PolarHBondContact OG1-O 3.27Å; T150-I179 HydrophobicContact CG2-CG1 4.18Å
151C95.4Very high84.7Confident3 Ų369.1 Ų69.12%0.0236%0.363CS..EExtended strand (participates in β ladder)trans-92125.6174.3-1720000109.5P131 Y162 W164 S178 C195P131-C151 VanDerWaalsContact CB-SG 3.6Å; C151-Y162 HydrophobicContact CB-CD1 4.09Å; C151-Y162 HydrophobicContact CB-CE1 4.48Å; C151-Y162 WeakPolarHBondContact O-CE1 3.4Å; C151-W164 HydrophobicContact CB-CH2 4.19Å; C151-W164 HydrophobicContact CB-CZ2 3.49Å; C151-W164 VanDerWaalsContact CB-CZ2 3.49Å; C151-S178 PolarHBondContact N-O 2.9Å; C151-C195 HydrophobicContact CB-CB 3.64Å; C151-C195 WeakPolarHBondContact CB-SG 3.05Å; C151-C195 WeakPolarHBondContact SG-CB 3.36Å; C151-C195 CovalentContact SG-SG 2.02Å; C151-C195 PolarHBondContact SG-SG 2.91Å
152R92.1Very high85.4Confident132 Ų13264.3 Ų64.350%0.49834%0.342SS..EExtended strand (participates in β ladder)trans-134.6145.4-175.958.9-179.8-178.5-178.44.1111.6K132K132-R152 HydrophobicContact CB-CG 4.26Å; K132-R152 PolarHBondContact N-O 3.36Å; K132-R152 WeakPolarHBondContact O-CG 3.34Å; K132-R152 PolarHBondContact O-N 2.84Å
153M90.1Very high86.2Confident23 Ų2359.1 Ų59.111%0.11332%0.315CS..  trans-93.5150.2168.2-63.7-62.5-69.500109.5L128 S129 P131 H155 Y162 V197L128-M153 HydrophobicContact CB-CE 3.98Å; L128-M153 HydrophobicContact CD2-CE 4.05Å; S129-M153 VanDerWaalsContact O-CE 3.27Å; S129-M153 WeakPolarHBondContact O-CE 3.17Å; P131-M153 HydrophobicContact CB-SD 3.75Å; M153-H155 WeakPolarHBondContact CB-O 3.44Å; M153-Y162 HydrophobicContact CG-CE1 4.44Å; M153-V197 HydrophobicContact CE-CG2 4.34Å; M153-V197 HydrophobicContact CG-CG1 4.33Å; M153-V197 HydrophobicContact SD-CB 4.22Å; M153-V197 HydrophobicContact SD-CG1 3.94Å; M153-V197 HydrophobicContact SD-CG2 3.7Å
154E79.3Confident87Confident119 Ų11958.3 Ų58.356%0.55631%0.307SS*.SBendtrans-70.7-38.6172.9-72.3-174.4156.200111.9K132K132-E154 HydrophobicContact CD-CG 4.36Å; K132-E154 WeakPolarHBondContact CE-OE1 3.45Å; K132-E154 IonicContact NZ-OE1 2.79Å; K132-E154 PolarHBondContact NZ-OE1 2.85Å
155H71.7Confident87.2Confident133 Ų13362.1 Ų62.162%0.61632%0.32SS*.SBendtrans-117.5117.8175.4-57.193.2000106.9M153M153-H155 WeakPolarHBondContact CB-O 3.44Å
156G59.2Low87.4Confident72 Ų7262.3 Ų62.374%0.74232%0.322SS*.PPolyproline II helixtrans-88.4118.2-178.400000110.6
157E64.6Low87.3Confident35 Ų3561.8 Ų61.816%0.16432%0.317CS..PPolyproline II helixtrans-93.3148.5164.3-64.5-160.5118.700110.2K97 E126 V160 N199K97-E157 IonicContact NZ-OE1 3.88Å; K97-E157 PolarHBondContact NZ-OE1 2.85Å; E126-E157 VanDerWaalsContact CB-OE1 3.26Å; E126-E157 WeakPolarHBondContact CB-OE1 3.27Å; E126-E157 PolarHBondContact N-OE1 2.87Å; E126-E157 PolarHBondContact N-OE2 2.87Å; E157-V160 HydrophobicContact CB-CG2 4.01Å; E157-N199 PolarHBondContact OE2-ND2 3.46Å
158E66.8Low86.8Confident173 Ų17363.5 Ų63.581%0.80834%0.335SS*.THydrogen-bonded Turntrans-61.2145.8158.6-70.5173.3167.800108.9
159D81.3Confident85.8Confident89 Ų8964.2 Ų64.248%0.47634%0.336SS..THydrogen-bonded Turntrans73.426.3-179.1-46.8-32.6000117.8R123 Y125R123-D159 IonicContact NH1-OD2 3.62Å; Y125-D159 HydrophobicContact CE1-CB 3.98Å; Y125-D159 PolarHBondContact OH-OD2 2.9Å
160V90.6Very high84.5Confident24 Ų2469.5 Ų69.515%0.14538%0.379CS..  trans-87.9126.1169.8-177.50000111.3L128 E157 Y162 V197L128-V160 HydrophobicContact CD1-CG1 4.13Å; L128-V160 HydrophobicContact CD2-CG2 3.82Å; E157-V160 HydrophobicContact CB-CG2 4.01Å; V160-Y162 HydrophobicContact CB-CE2 4.11Å; V160-Y162 HydrophobicContact CG1-CD2 4.33Å; V160-Y162 HydrophobicContact CG1-CE2 3.84Å; V160-V197 HydrophobicContact CG1-CB 3.98Å; V160-V197 HydrophobicContact CG1-CG1 4.35Å
161I94.1Very high83.6Confident106 Ų10672.2 Ų72.254%0.54440%0.396SS..EExtended strand (participates in β ladder)trans-94.3131.3175.1-57.9173.5000109.4V197 R198I161-V197 CarbonylContact O-C 3.53Å; I161-V197 WeakPolarHBondContact O-CA 3.3Å; I161-R198 PolarHBondContact N-O 3.28Å; I161-R198 PolarHBondContact O-N 3.44Å
162Y95.6Very high83Confident50 Ų5077.3 Ų77.320%0.19642%0.423CS..EExtended strand (participates in β ladder)trans-108.2133.2176.9-65.1-102.6000110.2C151 M153 V160 G177 V197C151-Y162 HydrophobicContact CB-CD1 4.09Å; C151-Y162 HydrophobicContact CB-CE1 4.48Å; C151-Y162 WeakPolarHBondContact O-CE1 3.4Å; M153-Y162 HydrophobicContact CG-CE1 4.44Å; V160-Y162 HydrophobicContact CB-CE2 4.11Å; V160-Y162 HydrophobicContact CG1-CD2 4.33Å; V160-Y162 HydrophobicContact CG1-CE2 3.84Å; Y162-G177 VanDerWaalsContact CB-C 3.44Å; Y162-G177 VanDerWaalsContact CB-O 3.31Å; Y162-G177 WeakPolarHBondContact CB-O 3.29Å; Y162-G177 PolarHBondContact O-N 3.11Å; Y162-V197 HydrophobicContact CD1-CG1 3.55Å; Y162-V197 HydrophobicContact CE1-CG1 3.53Å; Y162-V197 HydrophobicContact CG-CG1 4.32Å
163T97Very high82.8Confident39 Ų3974.5 Ų74.524%0.23942%0.415CS..EExtended strand (participates in β ladder)trans-139.5133.2176.3-51.10000110.3H175 C195 T196T163-H175 CarbonylContact C-O 3.6Å; T163-H175 WeakPolarHBondContact CA-O 3.31Å; T163-C195 CarbonylContact O-C 3.54Å; T163-T196 PolarHBondContact N-O 3.28Å; T163-T196 PolarHBondContact O-N 3.07Å
164W97.4Very high83Confident0 Ų077.7 Ų77.70%044%0.44CS..EExtended strand (participates in β ladder)trans-101.1144.1173.2-71.692.8000111.1V133 L149 C151 S174 H175 G177 S178 L180 F193 I194 C195V133-W164 HydrophobicContact CB-CH2 4.32Å; V133-W164 HydrophobicContact CG1-CH2 3.68Å; V133-W164 HydrophobicContact CG2-CH2 3.65Å; V133-W164 HydrophobicContact CG2-CZ3 4.22Å; L149-W164 HydrophobicContact CB-CH2 3.65Å; L149-W164 HydrophobicContact CB-CZ2 3.94Å; L149-W164 HydrophobicContact CB-CZ3 4.34Å; L149-W164 HydrophobicContact CD1-CH2 4.26Å; L149-W164 HydrophobicContact CD1-CZ3 4.17Å; C151-W164 HydrophobicContact CB-CH2 4.19Å; C151-W164 HydrophobicContact CB-CZ2 3.49Å; C151-W164 VanDerWaalsContact CB-CZ2 3.49Å; W164-S174 VanDerWaalsContact O-CA 3.27Å; W164-S174 WeakPolarHBondContact O-CA 3.38Å; W164-H175 HydrophobicContact CB-CB 4.28Å; W164-H175 PolarHBondContact N-O 3.21Å; W164-H175 PolarHBondContact O-N 3.23Å; W164-G177 VanDerWaalsContact CD1-O 3.22Å; W164-G177 PolarHBondContact NE1-O 3.3Å; W164-S178 PolarHBondContact NE1-O 3.43Å; W164-L180 HydrophobicContact CB-CB 4.47Å; W164-L180 HydrophobicContact CB-CD1 4.3Å; W164-L180 HydrophobicContact CB-CD2 4.07Å; W164-L180 HydrophobicContact CD2-CB 3.74Å; W164-L180 HydrophobicContact CD2-CD2 3.89Å; W164-L180 HydrophobicContact CD2-CG 4.41Å; W164-L180 HydrophobicContact CE3-CB 4.36Å; W164-L180 HydrophobicContact CE3-CD2 3.82Å; W164-L180 HydrophobicContact CG-CB 3.78Å; W164-L180 HydrophobicContact CG-CD1 4.46Å; W164-L180 HydrophobicContact CG-CD2 4.04Å; W164-L180 HydrophobicContact CG-CG 4.32Å; W164-L180 HydrophobicContact CZ2-CB 4.24Å; W164-L180 HydrophobicContact CZ3-CD2 4.49Å; W164-F193 HydrophobicContact CE3-CB 4.34Å; W164-F193 HydrophobicContact CZ3-CB 4.19Å; W164-I194 WeakPolarHBondContact CA-O 2.94Å; W164-C195 HydrophobicContact CD2-CB 3.92Å; W164-C195 HydrophobicContact CE3-CB 3.77Å; W164-C195 HydrophobicContact CH2-CB 3.77Å; W164-C195 HydrophobicContact CZ2-CB 3.94Å; W164-C195 HydrophobicContact CZ3-CB 3.68Å
165K95.5Very high83.6Confident114 Ų11475.3 Ų75.350%0.49643%0.429SS..EExtended strand (participates in β ladder)trans-116.5125.5164.4-68.8-174.5176.7-178.70109F193 I194K165-F193 WeakPolarHBondContact O-CA 3.19Å; K165-I194 PolarHBondContact N-O 2.82Å; K165-I194 PolarHBondContact O-N 2.82Å
166A93.3Very high84.8Confident4 Ų475.5 Ų75.53%0.03343%0.434CS..EExtended strand (participates in β ladder)trans-104.3120.2169.500000108.7E173 M191 F193A166-E173 PolarHBondContact N-O 3.37Å; A166-E173 PolarHBondContact O-N 2.92Å; A166-M191 HydrophobicContact CB-CE 4.29Å; A166-F193 HydrophobicContact CB-CD1 3.89Å; A166-F193 HydrophobicContact CB-CE1 3.93Å
167L91.6Very high86.4Confident56 Ų5673.6 Ų73.629%0.29342%0.415SS..EExtended strand (participates in β ladder)trans-113.3146.7-178.3-51.4174.8000109.3N172 M191 T192 I194L167-N172 HydrophobicContact CD2-CB 4.22Å; L167-M191 CarbonylContact O-C 3.58Å; L167-M191 VanDerWaalsContact O-CA 3.3Å; L167-M191 WeakPolarHBondContact O-CA 3.46Å; L167-T192 PolarHBondContact N-O 3.1Å; L167-T192 PolarHBondContact O-N 2.81Å; L167-I194 HydrophobicContact CD1-CD1 4.01Å
168G81.1Confident87.8Confident39 Ų3974.1 Ų74.140%0.40242%0.422SS..SBendtrans109.41.5177.200000115.2S189G168-S189 PolarHBondContact O-OG 2.94Å
169Q73Confident89.2Confident93 Ų9370.2 Ų70.244%0.43541%0.406SS..SBendtrans-97.8164.3167.5-161.7170-9.600109.5V171 E173Q169-V171 PolarHBondContact O-N 3.24Å; Q169-E173 PolarHBondContact NE2-OE1 2.85Å; Q169-E173 VanDerWaalsContact NE2-OE1 3.13Å; Q169-E173 PolarHBondContact OE1-OE1 2.95Å
170A70Confident89.9Confident111 Ų11166.2 Ų66.292%0.91738%0.384SS*.SBendtrans-56-24.5179.900000113.2
171V76.4Confident90.1Very high102 Ų10269.5 Ų69.562%0.61841%0.406SS*.SBendtrans-128132.6171.9-178.90000107.9Q169 E173Q169-V171 PolarHBondContact O-N 3.24Å; V171-E173 PolarHBondContact O-N 3.02Å
172N83.5Confident90Very high110 Ų11064.9 Ų64.959%0.58838%0.382SS*.  trans-70.1124.3172.7-67.7-31.6000109.3L167L167-N172 HydrophobicContact CD2-CB 4.22Å
173E87.8Confident89.8Confident73 Ų7366.3 Ų66.334%0.34140%0.4SS..EExtended strand (participates in β ladder)trans-100.9142.3-177.6-62.5-174.6-179.100110.8A166 Q169 V171 H175A166-E173 PolarHBondContact N-O 3.37Å; A166-E173 PolarHBondContact O-N 2.92Å; Q169-E173 PolarHBondContact NE2-OE1 2.85Å; Q169-E173 VanDerWaalsContact NE2-OE1 3.13Å; Q169-E173 PolarHBondContact OE1-OE1 2.95Å; V171-E173 PolarHBondContact O-N 3.02Å; E173-H175 IonicContact OE2-NE2 3.05Å
174S92.4Very high89.5Confident89 Ų8964.5 Ų64.562%0.62239%0.389SS*.EExtended strand (participates in β ladder)trans-121.1130.317664.80000110.9W164W164-S174 VanDerWaalsContact O-CA 3.27Å; W164-S174 WeakPolarHBondContact O-CA 3.38Å
175H93.6Very high89Confident70 Ų7071.1 Ų71.132%0.32441%0.413SS..EExtended strand (participates in β ladder)trans-122.1136179-59.4-91.7000110.9T163 W164 E173 L180T163-H175 CarbonylContact C-O 3.6Å; T163-H175 WeakPolarHBondContact CA-O 3.31Å; W164-H175 HydrophobicContact CB-CB 4.28Å; W164-H175 PolarHBondContact N-O 3.21Å; W164-H175 PolarHBondContact O-N 3.23Å; E173-H175 IonicContact OE2-NE2 3.05Å; H175-L180 HydrophobicContact CB-CD1 3.89Å
176N95.2Very high88.5Confident137 Ų13769.5 Ų69.573%0.73340%0.404SS*.EExtended strand (participates in β ladder)trans-90.5144175.4-67.8-27.8000110.5
177G93.9Very high87.8Confident32 Ų3273.2 Ų73.233%0.3344%0.443SS..SBendtrans112.5165.6179.500000113Y162 W164Y162-G177 VanDerWaalsContact CB-C 3.44Å; Y162-G177 VanDerWaalsContact CB-O 3.31Å; Y162-G177 WeakPolarHBondContact CB-O 3.29Å; Y162-G177 PolarHBondContact O-N 3.11Å; W164-G177 VanDerWaalsContact CD1-O 3.22Å; W164-G177 PolarHBondContact NE1-O 3.3Å
178S94.4Very high87.5Confident46 Ų4675.3 Ų75.332%0.32245%0.451SS..SBendtrans-78.9-19.4-177.256.10000113.1C151 W164C151-S178 PolarHBondContact N-O 2.9Å; W164-S178 PolarHBondContact NE1-O 3.43Å
179I95.7Very high87.8Confident91 Ų9177.4 Ų77.447%0.46746%0.46SS..EExtended strand (participates in β ladder)trans-111.8129.8-176.7-58.1173.8000109.8N148 L149 T150N148-I179 HydrophobicContact CB-CG2 4.08Å; L149-I179 CarbonylContact O-C 3.58Å; L149-I179 VanDerWaalsContact O-CA 3.29Å; L149-I179 WeakPolarHBondContact O-CA 3.45Å; T150-I179 HydrophobicContact CG2-CG1 4.18Å
180L95.9Very high88.6Confident4 Ų475.2 Ų75.22%0.02145%0.451CS..EExtended strand (participates in β ladder)trans-116.7111.8173179.368.7000109.6L149 W164 H175 I182 F193L149-L180 HydrophobicContact CB-CB 4.41Å; L149-L180 PolarHBondContact N-O 3.1Å; L149-L180 PolarHBondContact O-N 2.8Å; W164-L180 HydrophobicContact CB-CB 4.47Å; W164-L180 HydrophobicContact CB-CD1 4.3Å; W164-L180 HydrophobicContact CB-CD2 4.07Å; W164-L180 HydrophobicContact CD2-CB 3.74Å; W164-L180 HydrophobicContact CD2-CD2 3.89Å; W164-L180 HydrophobicContact CD2-CG 4.41Å; W164-L180 HydrophobicContact CE3-CB 4.36Å; W164-L180 HydrophobicContact CE3-CD2 3.82Å; W164-L180 HydrophobicContact CG-CB 3.78Å; W164-L180 HydrophobicContact CG-CD1 4.46Å; W164-L180 HydrophobicContact CG-CD2 4.04Å; W164-L180 HydrophobicContact CG-CG 4.32Å; W164-L180 HydrophobicContact CZ2-CB 4.24Å; W164-L180 HydrophobicContact CZ3-CD2 4.49Å; H175-L180 HydrophobicContact CB-CD1 3.89Å; L180-I182 HydrophobicContact CD2-CG2 3.99Å; L180-I182 HydrophobicContact CG-CG2 3.97Å; L180-F193 HydrophobicContact CD2-CB 4.44Å; L180-F193 HydrophobicContact CD2-CD1 3.6Å; L180-F193 HydrophobicContact CD2-CE1 4.19Å; L180-F193 HydrophobicContact CD2-CG 4.23Å
181P93.7Very high89.6Confident93 Ų9371.2 Ų71.260%0.60441%0.413SS*.EExtended strand (participates in β ladder)trans-70.8133.3167.829.7-32.3000109.9N148N148-P181 VanDerWaalsContact OD1-CA 3.31Å; N148-P181 WeakPolarHBondContact OD1-CA 3.36Å; N148-P181 WeakPolarHBondContact OD1-CB 3.33Å
182I92.1Very high90.5Very high9 Ų967.9 Ų67.95%0.04639%0.393CS..EExtended strand (participates in β ladder)trans-122.6141.8177.367.5165.2000110.4V146 T147 L149 L180 F193 L214V146-I182 WeakPolarHBondContact CA-O 3.49Å; T147-I182 HydrophobicContact CG2-CD1 3.52Å; T147-I182 HydrophobicContact CG2-CG1 3.46Å; T147-I182 VanDerWaalsContact CG2-CG1 3.46Å; T147-I182 PolarHBondContact N-O 3.41Å; T147-I182 VanDerWaalsContact N-O 3.09Å; T147-I182 VanDerWaalsContact O-CG1 3.3Å; T147-I182 WeakPolarHBondContact O-CG1 3.38Å; T147-I182 PolarHBondContact O-N 3.35Å; L149-I182 HydrophobicContact CD1-CD1 4.38Å; L149-I182 HydrophobicContact CD1-CG2 4.13Å; L149-I182 HydrophobicContact CD2-CD1 4.39Å; L149-I182 HydrophobicContact CG-CD1 4.24Å; L149-I182 HydrophobicContact CG-CG2 4.22Å; L180-I182 HydrophobicContact CD2-CG2 3.99Å; L180-I182 HydrophobicContact CG-CG2 3.97Å; I182-F193 HydrophobicContact CB-CZ 4.17Å; I182-F193 HydrophobicContact CD1-CE2 4.1Å; I182-F193 HydrophobicContact CG2-CD1 4.31Å; I182-F193 HydrophobicContact CG2-CE1 3.84Å; I182-F193 HydrophobicContact CG2-CE2 4.08Å; I182-F193 HydrophobicContact CG2-CZ 3.71Å; I182-L214 HydrophobicContact CD1-CD1 3.95Å
183S91.2Very high91.1Very high80 Ų8063 Ų6356%0.55937%0.367SS*.EExtended strand (participates in β ladder)trans-136.4112.2171.4172.80000106.9C145C145-S183 WeakPolarHBondContact O-CA 3.3Å
184W91.1Very high91.5Very high2 Ų261.1 Ų61.11%0.00836%0.359CS..EExtended strand (participates in β ladder)trans-131.4132.7-175.8-178.979.2000110.3C145 W186 S189 A211 R212 C215C145-W184 WeakPolarHBondContact CB-O 3.47Å; C145-W184 PolarHBondContact N-O 2.04Å; C145-W184 PolarHBondContact O-N 3.5Å; W184-W186 AromaticContact CH2-CD2 3.94Å; W184-W186 HydrophobicContact CH2-CD2 3.94Å; W184-W186 AromaticContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CE3 3.5Å; W184-W186 VanDerWaalsContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CH2 4.46Å; W184-W186 AromaticContact CH2-CZ3 3.78Å; W184-W186 HydrophobicContact CH2-CZ3 3.78Å; W184-W186 AromaticContact CZ3-CD2 3.66Å; W184-W186 HydrophobicContact CZ3-CD2 3.66Å; W184-W186 AromaticContact CZ3-CE2 3.98Å; W184-W186 AromaticContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CG 4.16Å; W184-W186 HydrophobicContact CZ3-CH2 4.36Å; W184-W186 HydrophobicContact CZ3-CZ2 4.34Å; W184-W186 HydrophobicContact CZ3-CZ3 4.06Å; W184-S189 PolarHBondContact NE1-O 3.25Å; W184-S189 VanDerWaalsContact NE1-O 3.17Å; W184-A211 HydrophobicContact CB-CB 4.21Å; W184-A211 HydrophobicContact CD2-CB 3.83Å; W184-A211 HydrophobicContact CG-CB 3.64Å; W184-R212 HydrophobicContact CH2-CB 4.13Å; W184-R212 HydrophobicContact CH2-CG 4.35Å; W184-R212 HydrophobicContact CZ2-CB 4.41Å; W184-C215 HydrophobicContact CE3-CB 3.78Å; W184-C215 HydrophobicContact CZ3-CB 3.96Å
185R88.5Confident91.7Very high139 Ų13956.9 Ų56.953%0.52533%0.329SS..EExtended strand (participates in β ladder)trans-105136.7-177.5-171.1179.4-179.5174.20.1111.2G187 E188R185-G187 PolarHBondContact O-N 3.03Å; R185-E188 HydrophobicContact CB-CG 4.22Å; R185-E188 WeakPolarHBondContact O-CB 3.27Å; R185-E188 PolarHBondContact O-N 3.05Å
186W83.4Confident91.9Very high80 Ų8054.8 Ų54.830%0.30332%0.321SS..THydrogen-bonded Turntrans-57131.5171.6-79.3112.2000111.6G143 W184 R212 C215 A219G143-W186 PolarHBondContact O-N 2.93Å; W184-W186 AromaticContact CH2-CD2 3.94Å; W184-W186 HydrophobicContact CH2-CD2 3.94Å; W184-W186 AromaticContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CE3 3.5Å; W184-W186 VanDerWaalsContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CH2 4.46Å; W184-W186 AromaticContact CH2-CZ3 3.78Å; W184-W186 HydrophobicContact CH2-CZ3 3.78Å; W184-W186 AromaticContact CZ3-CD2 3.66Å; W184-W186 HydrophobicContact CZ3-CD2 3.66Å; W184-W186 AromaticContact CZ3-CE2 3.98Å; W184-W186 AromaticContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CG 4.16Å; W184-W186 HydrophobicContact CZ3-CH2 4.36Å; W184-W186 HydrophobicContact CZ3-CZ2 4.34Å; W184-W186 HydrophobicContact CZ3-CZ3 4.06Å; W186-R212 HydrophobicContact CH2-CG 4.12Å; W186-R212 HydrophobicContact CZ3-CG 3.93Å; W186-C215 WeakPolarHBondContact CZ2-O 3.39Å; W186-A219 HydrophobicContact CZ2-CB 4.04Å
187G79.9Confident91.9Very high81 Ų8148.2 Ų48.284%0.83529%0.286SS*.THydrogen-bonded Turntrans98.3-11.2-177.900000114.5R185R185-G187 PolarHBondContact O-N 3.03Å
188E84.6Confident92Very high101 Ų10154.3 Ų54.347%0.47230%0.299SS..SBendtrans-79.9166.1170.8-66.8178.917200111.8R185R185-E188 HydrophobicContact CB-CG 4.22Å; R185-E188 WeakPolarHBondContact O-CB 3.27Å; R185-E188 PolarHBondContact O-N 3.05Å
189S87.1Confident91.9Very high83 Ų8352.4 Ų52.458%0.5829%0.285SS*.PPolyproline II helixtrans-58.8142.6171.948.60000110.4G168 W184G168-S189 PolarHBondContact O-OG 2.94Å; W184-S189 PolarHBondContact NE1-O 3.25Å; W184-S189 VanDerWaalsContact NE1-O 3.17Å
190D89.6Confident91.8Very high46 Ų4651.6 Ų51.625%0.24629%0.286CS..PPolyproline II helixtrans-68.2140.1179.9-158.11.5000110A211 R212D190-A211 PolarHBondContact OD1-N 3.28Å; D190-R212 PolarHBondContact OD1-N 3.06Å; D190-R212 WeakPolarHBondContact OD2-CB 3.12Å
191M92.1Very high91.7Very high27 Ų2753.4 Ų53.413%0.13330%0.297CS..  trans-108.9142.5179.8-63.7177.974.400109.9A166 L167 F193 L210 A211A166-M191 HydrophobicContact CB-CE 4.29Å; L167-M191 CarbonylContact O-C 3.58Å; L167-M191 VanDerWaalsContact O-CA 3.3Å; L167-M191 WeakPolarHBondContact O-CA 3.46Å; M191-F193 HydrophobicContact CB-CE1 4.34Å; M191-F193 HydrophobicContact CB-CE2 4.23Å; M191-F193 HydrophobicContact CB-CZ 3.84Å; M191-F193 HydrophobicContact CE-CE1 4.02Å; M191-F193 HydrophobicContact CE-CZ 4.21Å; M191-F193 HydrophobicContact SD-CZ 4.28Å; M191-L210 CarbonylContact O-C 3.57Å; M191-L210 WeakPolarHBondContact O-CA 3.44Å; M191-A211 HydrophobicContact CB-CB 4.05Å; M191-A211 PolarHBondContact O-N 2.96Å
192T94.9Very high91.7Very high33 Ų3349.9 Ų49.920%0.20228%0.275CS..EExtended strand (participates in β ladder)trans-113125.5175.5-58.50000110.5L167 I194 P208 I209 L210L167-T192 PolarHBondContact N-O 3.1Å; L167-T192 PolarHBondContact O-N 2.81Å; T192-I194 HydrophobicContact CG2-CG1 4.26Å; T192-P208 HydrophobicContact CG2-CB 3.63Å; T192-I209 CarbonylContact C-O 3.58Å; T192-I209 WeakPolarHBondContact CA-O 3.48Å; T192-L210 WeakPolarHBondContact OG1-CD2 3.44Å
193F95.4Very high91.9Very high6 Ų652.7 Ų52.73%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-106.5131.6177.3-51.8-71.8000110.6L149 W164 K165 A166 L180 I182 M191 I209 A211 L214L149-F193 HydrophobicContact CD1-CB 3.92Å; L149-F193 HydrophobicContact CD1-CD2 3.85Å; L149-F193 HydrophobicContact CD1-CG 3.92Å; W164-F193 HydrophobicContact CE3-CB 4.34Å; W164-F193 HydrophobicContact CZ3-CB 4.19Å; K165-F193 WeakPolarHBondContact O-CA 3.19Å; A166-F193 HydrophobicContact CB-CD1 3.89Å; A166-F193 HydrophobicContact CB-CE1 3.93Å; L180-F193 HydrophobicContact CD2-CB 4.44Å; L180-F193 HydrophobicContact CD2-CD1 3.6Å; L180-F193 HydrophobicContact CD2-CE1 4.19Å; L180-F193 HydrophobicContact CD2-CG 4.23Å; I182-F193 HydrophobicContact CB-CZ 4.17Å; I182-F193 HydrophobicContact CD1-CE2 4.1Å; I182-F193 HydrophobicContact CG2-CD1 4.31Å; I182-F193 HydrophobicContact CG2-CE1 3.84Å; I182-F193 HydrophobicContact CG2-CE2 4.08Å; I182-F193 HydrophobicContact CG2-CZ 3.71Å; M191-F193 HydrophobicContact CB-CE1 4.34Å; M191-F193 HydrophobicContact CB-CE2 4.23Å; M191-F193 HydrophobicContact CB-CZ 3.84Å; M191-F193 HydrophobicContact CE-CE1 4.02Å; M191-F193 HydrophobicContact CE-CZ 4.21Å; M191-F193 HydrophobicContact SD-CZ 4.28Å; F193-I209 PolarHBondContact N-O 3.09Å; F193-I209 PolarHBondContact O-N 3.35Å; F193-A211 HydrophobicContact CE2-CB 3.86Å; F193-A211 HydrophobicContact CZ-CB 4.47Å; F193-L214 HydrophobicContact CD2-CD1 4.32Å
194I97Very high92.1Very high34 Ų3451.5 Ų51.517%0.17428%0.283CS..EExtended strand (participates in β ladder)trans-130.7119.3176.5-55.6174.3000108.2W164 K165 L167 T192 P208W164-I194 WeakPolarHBondContact CA-O 2.94Å; K165-I194 PolarHBondContact N-O 2.82Å; K165-I194 PolarHBondContact O-N 2.82Å; L167-I194 HydrophobicContact CD1-CD1 4.01Å; T192-I194 HydrophobicContact CG2-CG1 4.26Å; I194-P208 HydrophobicContact CD1-CG 4.46Å; I194-P208 HydrophobicContact CG1-CB 4.27Å
195C97.4Very high92.3Very high0 Ų053.5 Ų53.50%030%0.297CS..EExtended strand (participates in β ladder)trans-86.3136.7168.3175.20000109.6V133 C151 T163 W164 S205 S206V133-C195 HydrophobicContact CG2-CB 4.14Å; C151-C195 HydrophobicContact CB-CB 3.64Å; C151-C195 WeakPolarHBondContact CB-SG 3.05Å; C151-C195 WeakPolarHBondContact SG-CB 3.36Å; C151-C195 CovalentContact SG-SG 2.02Å; C151-C195 PolarHBondContact SG-SG 2.91Å; T163-C195 CarbonylContact O-C 3.54Å; W164-C195 HydrophobicContact CD2-CB 3.92Å; W164-C195 HydrophobicContact CE3-CB 3.77Å; W164-C195 HydrophobicContact CH2-CB 3.77Å; W164-C195 HydrophobicContact CZ2-CB 3.94Å; W164-C195 HydrophobicContact CZ3-CB 3.68Å; C195-S205 CarbonylContact O-C 3.55Å; C195-S205 WeakPolarHBondContact O-CA 3.18Å; C195-S206 PolarHBondContact N-OG 3.22Å; C195-S206 PolarHBondContact O-N 2.9Å
196T96.8Very high92.7Very high26 Ų2647.3 Ų47.316%0.1628%0.275CS..EExtended strand (participates in β ladder)trans-121130.2170.9-57.10000109.1T163 S203 N204 S205T163-T196 PolarHBondContact N-O 3.28Å; T163-T196 PolarHBondContact O-N 3.07Å; T196-S203 WeakPolarHBondContact CG2-OG 3.5Å; T196-N204 CarbonylContact C-O 3.57Å; T196-N204 WeakPolarHBondContact CA-O 3.4Å; T196-S205 PolarHBondContact OG1-OG 3.09Å
197V95.9Very high93.3Very high0 Ų046.7 Ų46.70%028%0.283CS..EExtended strand (participates in β ladder)trans-105.8144.3170.9-65.20000109.3L128 P131 M153 V160 I161 Y162 S203 N204L128-V197 HydrophobicContact CB-CG2 4.24Å; L128-V197 HydrophobicContact CD1-CB 4.14Å; L128-V197 HydrophobicContact CD1-CG2 3.96Å; P131-V197 HydrophobicContact CB-CG1 3.91Å; P131-V197 HydrophobicContact CB-CG2 4.24Å; P131-V197 HydrophobicContact CG-CG1 4.15Å; P131-V197 HydrophobicContact CG-CG2 3.95Å; M153-V197 HydrophobicContact CE-CG2 4.34Å; M153-V197 HydrophobicContact CG-CG1 4.33Å; M153-V197 HydrophobicContact SD-CB 4.22Å; M153-V197 HydrophobicContact SD-CG1 3.94Å; M153-V197 HydrophobicContact SD-CG2 3.7Å; V160-V197 HydrophobicContact CG1-CB 3.98Å; V160-V197 HydrophobicContact CG1-CG1 4.35Å; I161-V197 CarbonylContact O-C 3.53Å; I161-V197 WeakPolarHBondContact O-CA 3.3Å; Y162-V197 HydrophobicContact CD1-CG1 3.55Å; Y162-V197 HydrophobicContact CE1-CG1 3.53Å; Y162-V197 HydrophobicContact CG-CG1 4.32Å; V197-S203 VanDerWaalsContact O-CA 3.26Å; V197-S203 WeakPolarHBondContact O-CA 3.36Å; V197-S203 PolarHBondContact O-OG 3.28Å; V197-N204 HydrophobicContact CG2-CB 4.2Å; V197-N204 WeakPolarHBondContact CG2-O 3.34Å; V197-N204 PolarHBondContact N-O 2.91Å; V197-N204 PolarHBondContact O-N 2.8Å
198R94.5Very high94Very high159 Ų15947.2 Ų47.260%0.627%0.272SS*.EExtended strand (participates in β ladder)trans-145.6138.6-177.9-176.8175.5178-175.5-0.2111.4I161I161-R198 PolarHBondContact N-O 3.28Å; I161-R198 PolarHBondContact O-N 3.44Å
199N93.7Very high94.5Very high6 Ų643.8 Ų43.83%0.03226%0.256CS..  trans-126177161.571.85.5000108.7Y125 E126 L128 E157 V201 S202Y125-N199 HydrophobicContact CD1-CB 4.24Å; E126-N199 PolarHBondContact O-ND2 2.67Å; L128-N199 HydrophobicContact CD1-CB 4.02Å; L128-N199 HydrophobicContact CG-CB 4.4Å; E157-N199 PolarHBondContact OE2-ND2 3.46Å; N199-V201 PolarHBondContact O-N 3.06Å; N199-V201 VanDerWaalsContact O-N 3.13Å; N199-V201 VanDerWaalsContact OD1-CG2 3.29Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.4Å; N199-V201 PolarHBondContact OD1-N 2.94Å; N199-S202 PolarHBondContact N-O 3.02Å; N199-S202 PolarHBondContact O-N 3.41Å; N199-S202 VanDerWaalsContact O-O 3.05Å; N199-S202 WeakPolarHBondContact OD1-CA 3.42Å; N199-S202 PolarHBondContact OD1-N 2.94Å; N199-S202 PolarHBondContact OD1-O 3.31Å; N199-S202 PolarHBondContact OD1-OG 3.39Å
200P93.3Very high94.8Very high75 Ų7543.4 Ų43.449%0.48725%0.247SC..SBendtrans-60-21.6-177.2-31.640.7000115.7V30 Y125V30-P200 HydrophobicContact CG1-CB 3.62Å; V30-P200 HydrophobicContact CG2-CB 4.16Å; Y125-P200 HydrophobicContact CD2-CB 4.2Å; Y125-P200 HydrophobicContact CD2-CG 4.18Å; Y125-P200 HydrophobicContact CE1-CG 4.4Å; Y125-P200 HydrophobicContact CE2-CB 3.97Å; Y125-P200 HydrophobicContact CE2-CG 3.59Å
201V93.8Very high94.9Very high41 Ų4141.2 Ų41.225%0.24824%0.236CC..SBendtrans-105.5-19.2-176.4-59.10000114.1V30 Y125 N199V30-V201 HydrophobicContact CG1-CG1 3.46Å; V30-V201 VanDerWaalsContact CG1-CG1 3.46Å; Y125-V201 VanDerWaalsContact CB-CG2 3.5Å; Y125-V201 HydrophobicContact CD2-CG1 4.27Å; Y125-V201 HydrophobicContact CG-CG2 4.5Å; N199-V201 PolarHBondContact O-N 3.06Å; N199-V201 VanDerWaalsContact O-N 3.13Å; N199-V201 VanDerWaalsContact OD1-CG2 3.29Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.4Å; N199-V201 PolarHBondContact OD1-N 2.94Å
202S93.9Very high94.7Very high20 Ų2046.3 Ų46.314%0.1425%0.254CS..  trans-154.2157.5-170.968.60000113.1L128 N199L128-S202 WeakPolarHBondContact CG-OG 3.31Å; L128-S202 PolarHBondContact N-OG 3.17Å; N199-S202 PolarHBondContact N-O 3.02Å; N199-S202 PolarHBondContact O-N 3.41Å; N199-S202 VanDerWaalsContact O-O 3.05Å; N199-S202 WeakPolarHBondContact OD1-CA 3.42Å; N199-S202 PolarHBondContact OD1-N 2.94Å; N199-S202 PolarHBondContact OD1-O 3.31Å; N199-S202 PolarHBondContact OD1-OG 3.39Å
203S95.1Very high94.5Very high68 Ų6852.4 Ų52.448%0.47628%0.277SS..EExtended strand (participates in β ladder)trans-144.9141.7172.3-172.90000110T196 V197T196-S203 WeakPolarHBondContact CG2-OG 3.5Å; V197-S203 VanDerWaalsContact O-CA 3.26Å; V197-S203 WeakPolarHBondContact O-CA 3.36Å; V197-S203 PolarHBondContact O-OG 3.28Å
204N95.6Very high94.1Very high54 Ų5453.9 Ų53.929%0.28929%0.285SS..EExtended strand (participates in β ladder)trans-144.9153.9-178.7-150.4-27.4000110.6L128 K130 T196 V197L128-N204 PolarHBondContact O-ND2 3.04Å; K130-N204 PolarHBondContact N-ND2 2.88Å; T196-N204 CarbonylContact C-O 3.57Å; T196-N204 WeakPolarHBondContact CA-O 3.4Å; V197-N204 HydrophobicContact CG2-CB 4.2Å; V197-N204 WeakPolarHBondContact CG2-O 3.34Å; V197-N204 PolarHBondContact N-O 2.91Å; V197-N204 PolarHBondContact O-N 2.8Å
205S96.8Very high93.6Very high45 Ų4552.2 Ų52.232%0.31528%0.277SS..EExtended strand (participates in β ladder)trans-128.3147.2-174.8-58.80000111.9K130 C195 T196K130-S205 WeakPolarHBondContact CE-O 3.2Å; K130-S205 WeakPolarHBondContact CG-O 3.18Å; C195-S205 CarbonylContact O-C 3.55Å; C195-S205 WeakPolarHBondContact O-CA 3.18Å; T196-S205 PolarHBondContact OG1-OG 3.09Å
206S97.1Very high92.6Very high9 Ų958.9 Ų58.96%0.06331%0.308CS..PPolyproline II helixtrans-63.9164.6174.6700000110.9C195C195-S206 PolarHBondContact N-OG 3.22Å; C195-S206 PolarHBondContact O-N 2.9Å
207S95.5Very high91Very high67 Ų6760.3 Ų60.347%0.46933%0.327SS..PPolyproline II helixtrans-60.4147.9161.2-62.50000109.5K130K130-S207 VanDerWaalsContact CE-N 3.29Å; K130-S207 WeakPolarHBondContact CE-OG 3.38Å; K130-S207 PolarHBondContact NZ-OG 3.03Å
208P95.1Very high89.1Confident91 Ų9160.4 Ų60.459%0.59133%0.328SS*.PPolyproline II helixtrans-62.5141.7174.1-19.831.6000111.4T192 I194T192-P208 HydrophobicContact CG2-CB 3.63Å; I194-P208 HydrophobicContact CD1-CG 4.46Å; I194-P208 HydrophobicContact CG1-CB 4.27Å
209I94.3Very high87.2Confident30 Ų3056 Ų5615%0.15433%0.326CS..EExtended strand (participates in β ladder)trans-124.6122.9-177.3-57.8150.4000108.8V133 T192 F193 L214V133-I209 HydrophobicContact CB-CD1 3.57Å; V133-I209 HydrophobicContact CG1-CD1 3.53Å; V133-I209 HydrophobicContact CG2-CD1 3.69Å; T192-I209 CarbonylContact C-O 3.58Å; T192-I209 WeakPolarHBondContact CA-O 3.48Å; F193-I209 PolarHBondContact N-O 3.09Å; F193-I209 PolarHBondContact O-N 3.35Å; I209-L214 HydrophobicContact CG2-CD1 3.36Å; I209-L214 HydrophobicContact CG2-CD2 3.63Å; I209-L214 HydrophobicContact CG2-CG 3.47Å; I209-L214 VanDerWaalsContact CG2-CG 3.47Å
210L93.3Very high85.2Confident75 Ų7563.1 Ų63.139%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-90.3133.3-178.8-68.3160.4000110.7M191 T192 R212 K213 L214M191-L210 CarbonylContact O-C 3.57Å; M191-L210 WeakPolarHBondContact O-CA 3.44Å; T192-L210 WeakPolarHBondContact OG1-CD2 3.44Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.36Å; L210-K213 HydrophobicContact CB-CB 4.21Å; L210-K213 PolarHBondContact O-N 3.13Å; L210-L214 WeakPolarHBondContact O-CG 3.41Å; L210-L214 PolarHBondContact O-N 3.43Å; L210-L214 VanDerWaalsContact O-N 3.1Å
211A91.6Very high83.2Confident0 Ų062.7 Ų62.70%036%0.358CS..Hα-helixtrans-58.9-43.9178.400000111.5W184 D190 M191 F193 K213 L214 C215W184-A211 HydrophobicContact CB-CB 4.21Å; W184-A211 HydrophobicContact CD2-CB 3.83Å; W184-A211 HydrophobicContact CG-CB 3.64Å; D190-A211 PolarHBondContact OD1-N 3.28Å; M191-A211 HydrophobicContact CB-CB 4.05Å; M191-A211 PolarHBondContact O-N 2.96Å; F193-A211 HydrophobicContact CE2-CB 3.86Å; F193-A211 HydrophobicContact CZ-CB 4.47Å; A211-K213 VanDerWaalsContact C-N 3.3Å; A211-K213 PolarHBondContact O-N 2.95Å; A211-L214 PolarHBondContact O-N 3.07Å; A211-L214 VanDerWaalsContact O-N 3.12Å; A211-C215 WeakPolarHBondContact O-CB 3.35Å; A211-C215 PolarHBondContact O-N 3.3Å; A211-C215 PolarHBondContact O-SG 3.48Å
212R88.9Confident81.4Confident134 Ų13464.8 Ų64.851%0.50637%0.374SS..Hα-helixtrans-56.4-42.9177.4-174.4-178.7-63.6-165-1.3112.8W184 W186 D190 L210 C215 E216W184-R212 HydrophobicContact CH2-CB 4.13Å; W184-R212 HydrophobicContact CH2-CG 4.35Å; W184-R212 HydrophobicContact CZ2-CB 4.41Å; W186-R212 HydrophobicContact CH2-CG 4.12Å; W186-R212 HydrophobicContact CZ3-CG 3.93Å; D190-R212 PolarHBondContact OD1-N 3.06Å; D190-R212 WeakPolarHBondContact OD2-CB 3.12Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.36Å; R212-C215 PolarHBondContact O-N 3.2Å; R212-E216 PolarHBondContact O-N 2.64Å; R212-E216 VanDerWaalsContact O-N 3.11Å
213K88.7Confident79.7Confident161 Ų16169.5 Ų69.570%0.740%0.397SS*.Hα-helixtrans-70.3-34.9179.2-173.8176.2-179.7176.20112.2L210 A211 C215L210-K213 HydrophobicContact CB-CB 4.21Å; L210-K213 PolarHBondContact O-N 3.13Å; A211-K213 VanDerWaalsContact C-N 3.3Å; A211-K213 PolarHBondContact O-N 2.95Å; K213-C215 VanDerWaalsContact C-N 3.34Å
214L87.4Confident78.1Confident36 Ų3670.8 Ų70.819%0.18841%0.406CS..Hα-helixtrans-69.2-34.6175.1-70.7172.1000112.3M135 Q138 L149 I182 F193 I209 L210 A211M135-L214 HydrophobicContact SD-CB 4.14Å; M135-L214 HydrophobicContact SD-CD2 3.83Å; Q138-L214 PolarHBondContact NE2-O 3.32Å; L149-L214 HydrophobicContact CD1-CD1 4.1Å; L149-L214 HydrophobicContact CD2-CD1 3.84Å; L149-L214 HydrophobicContact CD2-CD2 4.4Å; I182-L214 HydrophobicContact CD1-CD1 3.95Å; F193-L214 HydrophobicContact CD2-CD1 4.32Å; I209-L214 HydrophobicContact CG2-CD1 3.36Å; I209-L214 HydrophobicContact CG2-CD2 3.63Å; I209-L214 HydrophobicContact CG2-CG 3.47Å; I209-L214 VanDerWaalsContact CG2-CG 3.47Å; L210-L214 WeakPolarHBondContact O-CG 3.41Å; L210-L214 PolarHBondContact O-N 3.43Å; L210-L214 VanDerWaalsContact O-N 3.1Å; A211-L214 PolarHBondContact O-N 3.07Å; A211-L214 VanDerWaalsContact O-N 3.12Å
215C86.2Confident76.7Confident0 Ų072.4 Ų72.40%042%0.422CS..SBendtrans-103.111.2-171.1-63.60000114C145 W184 W186 A211 R212 K213 G217 A218C145-C215 HydrophobicContact CB-CB 3.49Å; C145-C215 VanDerWaalsContact CB-CB 3.49Å; C145-C215 WeakPolarHBondContact CB-SG 3.29Å; C145-C215 WeakPolarHBondContact SG-CB 3.42Å; C145-C215 CovalentContact SG-SG 2.04Å; C145-C215 PolarHBondContact SG-SG 3.46Å; W184-C215 HydrophobicContact CE3-CB 3.78Å; W184-C215 HydrophobicContact CZ3-CB 3.96Å; W186-C215 WeakPolarHBondContact CZ2-O 3.39Å; A211-C215 WeakPolarHBondContact O-CB 3.35Å; A211-C215 PolarHBondContact O-N 3.3Å; A211-C215 PolarHBondContact O-SG 3.48Å; R212-C215 PolarHBondContact O-N 3.2Å; K213-C215 VanDerWaalsContact C-N 3.34Å; C215-G217 PolarHBondContact O-N 2.96Å; C215-G217 VanDerWaalsContact O-N 3.1Å; C215-A218 WeakPolarHBondContact O-CB 3.47Å; C215-A218 PolarHBondContact O-N 2.93Å
216E77.6Confident75.4Confident139 Ų13975.1 Ų75.165%0.6543%0.431SS*.G310 helixtrans-54.6-32.9-174.2-161.8165.4-17200113.5R212 A218R212-E216 PolarHBondContact O-N 2.64Å; R212-E216 VanDerWaalsContact O-N 3.11Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.2Å
217G63.9Low74.3Confident56 Ų5678.9 Ų78.958%0.57745%0.453SS*.G310 helixtrans-78.2-2176.200000116.1C215C215-G217 PolarHBondContact O-N 2.96Å; C215-G217 VanDerWaalsContact O-N 3.1Å
218A55.1Low73.5Confident2 Ų280.7 Ų80.72%0.01746%0.457CS..G310 helixtrans-85.9-6.1-178.600000114.1N140 C145 C215 E216N140-A218 HydrophobicContact CB-CB 3.92Å; N140-A218 WeakPolarHBondContact ND2-CA 3.47Å; N140-A218 VanDerWaalsContact ND2-CB 3.34Å; N140-A218 WeakPolarHBondContact ND2-CB 3.41Å; N140-A218 WeakPolarHBondContact OD1-CB 3.35Å; C145-A218 HydrophobicContact CB-CB 4.25Å; C215-A218 WeakPolarHBondContact O-CB 3.47Å; C215-A218 PolarHBondContact O-N 2.93Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.2Å
219A55.1Low72.9Confident66 Ų6681 Ų8155%0.54545%0.454SS..SBendtrans-81.6-18.6178.700000113.2W186 N221W186-A219 HydrophobicContact CZ2-CB 4.04Å; A219-N221 PolarHBondContact O-N 2.94Å
220D51.8Low72.5Confident157 Ų15786.4 Ų86.484%0.8447%0.473SS*.  trans-85.541.4-175.4-104.6-7.9000113.3S222D220-S222 PolarHBondContact O-N 3.06Å; D220-S222 VanDerWaalsContact O-N 3.09Å
221N50.9Low72.1Confident66 Ų6688.3 Ų88.335%0.35348%0.483SS..  trans-73105.4168.2-84.9-9.4000108.9A219 D223A219-N221 PolarHBondContact O-N 2.94Å; N221-D223 PolarHBondContact O-N 3.39Å
222S55.5Low72Confident84 Ų8493.9 Ų93.959%0.58751%0.512SS*.THydrogen-bonded Turntrans10.2-27152.754.80000122D220 M226D220-S222 PolarHBondContact O-N 3.06Å; D220-S222 VanDerWaalsContact O-N 3.09Å; S222-M226 PolarHBondContact O-N 3.06Å
223D57.5Low72.1Confident119 Ų11991.5 Ų91.564%0.63651%0.509SS*.Hα-helixtrans-72.8-37.1-178.4-73.5-15.5000112.3N221 S225 M226 V227N221-D223 PolarHBondContact O-N 3.39Å; D223-S225 PolarHBondContact O-N 3.35Å; D223-M226 PolarHBondContact O-N 3.26Å; D223-V227 WeakPolarHBondContact O-CB 3.47Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.4Å
224S61.8Low72.3Confident95 Ų9587.2 Ų87.266%0.66450%0.496SS*.Hα-helixtrans-67.3-38.1178.9-175.40000112.3V227 L228S224-V227 PolarHBondContact O-N 3.39Å; S224-L228 WeakPolarHBondContact O-CB 3.42Å; S224-L228 PolarHBondContact O-N 3.11Å
225S66.2Low72.6Confident89 Ų8988.7 Ų88.762%0.62251%0.508SS*.Hα-helixtrans-68-42.1177-176.80000112D223 L229D223-S225 PolarHBondContact O-N 3.35Å; S225-L229 WeakPolarHBondContact O-CB 3.26Å; S225-L229 PolarHBondContact O-N 2.86Å
226M69.3Low73Confident102 Ų10293.2 Ų93.250%0.50253%0.532SS..Hα-helixtrans-63.5-44.7173.1-92.3-81.9-91.600112S222 D223 L229 Y230S222-M226 PolarHBondContact O-N 3.06Å; D223-M226 PolarHBondContact O-N 3.26Å; M226-L229 PolarHBondContact O-N 3.38Å; M226-Y230 HydrophobicContact CE-CE2 3.91Å; M226-Y230 VanDerWaalsContact O-CD2 3.25Å; M226-Y230 WeakPolarHBondContact O-CD2 3.07Å; M226-Y230 PolarHBondContact O-N 3.41Å; M226-Y230 HydrophobicContact SD-CE2 4.06Å
227V75.5Confident73.8Confident87 Ų8791.4 Ų91.453%0.52753%0.526SS..Hα-helixtrans-63.8-42.7178.5170.80000111.6D223 S224 Y230 L231D223-V227 WeakPolarHBondContact O-CB 3.47Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.4Å; S224-V227 PolarHBondContact O-N 3.39Å; V227-Y230 PolarHBondContact O-N 3.46Å; V227-L231 HydrophobicContact CG1-CD1 4.06Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 WeakPolarHBondContact O-CB 2.99Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.3Å
228L77.6Confident75.3Confident105 Ų10593.7 Ų93.755%0.5553%0.525SS..Hα-helixtrans-64.2-40.4175.9-171.769.6000111.6S224 L231 L232S224-L228 WeakPolarHBondContact O-CB 3.42Å; S224-L228 PolarHBondContact O-N 3.11Å; L228-L231 PolarHBondContact O-N 3.32Å; L228-L232 HydrophobicContact CG-CD1 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 2.72Å; L228-L232 VanDerWaalsContact O-N 3.07Å
229L82.7Confident77.1Confident99 Ų9996.5 Ų96.552%0.51854%0.544SS..Hα-helixtrans-61.9-44.7174.5-176.964.9000111.3S225 M226 L232 L233S225-L229 WeakPolarHBondContact O-CB 3.26Å; S225-L229 PolarHBondContact O-N 2.86Å; M226-L229 PolarHBondContact O-N 3.38Å; L229-L232 PolarHBondContact O-N 3.31Å; L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 PolarHBondContact O-N 3.07Å
230Y85.8Confident79Confident143 Ų14398.1 Ų98.156%0.56154%0.543SS*.Hα-helixtrans-62.9-42.1174.8-89.5-75.6000112.3M226 V227 L232 L233 V234M226-Y230 HydrophobicContact CE-CE2 3.91Å; M226-Y230 VanDerWaalsContact O-CD2 3.25Å; M226-Y230 WeakPolarHBondContact O-CD2 3.07Å; M226-Y230 PolarHBondContact O-N 3.41Å; M226-Y230 HydrophobicContact SD-CE2 4.06Å; V227-Y230 PolarHBondContact O-N 3.46Å; Y230-L232 PolarHBondContact O-N 2.88Å; Y230-L233 PolarHBondContact O-N 3.41Å; Y230-V234 HydrophobicContact CD1-CG2 4.06Å; Y230-V234 WeakPolarHBondContact O-CB 3.34Å; Y230-V234 VanDerWaalsContact O-CG2 3.22Å; Y230-V234 WeakPolarHBondContact O-CG2 3.42Å; Y230-V234 PolarHBondContact O-N 3.4Å
231L85.4Confident81.1Confident115 Ų11597 Ų9760%0.60253%0.531SS*.Hα-helixtrans-62.7-28.3177.6-78.3171.6000113.2V227 L228 P235V227-L231 HydrophobicContact CG1-CD1 4.06Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 WeakPolarHBondContact O-CB 2.99Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.3Å; L228-L231 PolarHBondContact O-N 3.32Å; L231-P235 WeakPolarHBondContact O-CD 3.19Å; L231-P235 WeakPolarHBondContact O-CG 3.4Å
232L88.7Confident83.2Confident117 Ų11798.3 Ų98.361%0.61354%0.541SS*.Hα-helixtrans-90.7-40.5176.8-66.7173.4000112.4L228 L229 Y230 L236L228-L232 HydrophobicContact CG-CD1 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 2.72Å; L228-L232 VanDerWaalsContact O-N 3.07Å; L229-L232 PolarHBondContact O-N 3.31Å; Y230-L232 PolarHBondContact O-N 2.88Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 PolarHBondContact O-N 3.44Å
233L92Very high85.1Confident84 Ų8498.7 Ų98.744%0.4454%0.536SS..Hα-helixtrans-74.9-40.2-172.9-163.974.2000112.5L229 Y230 L236 L237L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 PolarHBondContact O-N 3.07Å; Y230-L233 PolarHBondContact O-N 3.41Å; L233-L236 PolarHBondContact O-N 3.04Å; L233-L237 HydrophobicContact CG-CD1 4.27Å; L233-L237 WeakPolarHBondContact O-CG 3.27Å; L233-L237 PolarHBondContact O-N 2.85Å
234V93.3Very high86.8Confident70 Ų7094.9 Ų94.942%0.42453%0.525SS..Hα-helixtrans-62.7-51.6-179.3175.10000112.5Y230 L236 L237 L238Y230-V234 HydrophobicContact CD1-CG2 4.06Å; Y230-V234 WeakPolarHBondContact O-CB 3.34Å; Y230-V234 VanDerWaalsContact O-CG2 3.22Å; Y230-V234 WeakPolarHBondContact O-CG2 3.42Å; Y230-V234 PolarHBondContact O-N 3.4Å; V234-L236 VanDerWaalsContact C-N 3.3Å; V234-L236 PolarHBondContact O-N 2.98Å; V234-L237 PolarHBondContact O-N 3.47Å; V234-L238 HydrophobicContact CG1-CD1 4.03Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.32Å
235P93Very high88.3Confident68 Ų6893.3 Ų93.344%0.44251%0.509SS..Hα-helixtrans-66-32.6177.523.2-31.2000112.6L231 L238 S239L231-P235 WeakPolarHBondContact O-CD 3.19Å; L231-P235 WeakPolarHBondContact O-CG 3.4Å; P235-L238 PolarHBondContact O-N 2.92Å; P235-S239 WeakPolarHBondContact O-CB 3.33Å; P235-S239 PolarHBondContact O-N 3.45Å; P235-S239 PolarHBondContact O-OG 2.93Å
236L94.4Very high89.6Confident95 Ų9594.9 Ų94.950%0.49750%0.504SS..Hα-helixtrans-60.9-49.5174-17764.4000111.1L232 L233 V234 L238 S239 L240L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 PolarHBondContact O-N 3.44Å; L233-L236 PolarHBondContact O-N 3.04Å; V234-L236 VanDerWaalsContact C-N 3.3Å; V234-L236 PolarHBondContact O-N 2.98Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.44Å; L236-S239 PolarHBondContact O-N 2.89Å; L236-S239 PolarHBondContact O-OG 3.25Å; L236-L240 HydrophobicContact CG-CD1 4.43Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.48Å
237L94.5Very high90.7Very high101 Ų10194.8 Ų94.853%0.52951%0.505SS..Hα-helixtrans-62.5-40177.3-68.6175.2000112.3L233 V234 L240 F241L233-L237 HydrophobicContact CG-CD1 4.27Å; L233-L237 WeakPolarHBondContact O-CG 3.27Å; L233-L237 PolarHBondContact O-N 2.85Å; V234-L237 PolarHBondContact O-N 3.47Å; L237-L240 PolarHBondContact O-N 3.01Å; L237-F241 WeakPolarHBondContact O-CB 3.4Å; L237-F241 PolarHBondContact O-N 3.33Å
238L94.7Very high91.5Very high104 Ų10497.6 Ų97.655%0.54551%0.507SS..Hα-helixtrans-63.7-43.8175.8-72.7171.5000112V234 P235 L236 L240 F241 V242V234-L238 HydrophobicContact CG1-CD1 4.03Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.32Å; P235-L238 PolarHBondContact O-N 2.92Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.44Å; L238-L240 PolarHBondContact O-N 2.9Å; L238-F241 PolarHBondContact O-N 3.08Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.74Å
239S93.9Very high91.9Very high61 Ų6197.6 Ų97.643%0.42750%0.502SS..Hα-helixtrans-62.9-41177.368.40000112.6P235 L236 F241 V242 L243P235-S239 WeakPolarHBondContact O-CB 3.33Å; P235-S239 PolarHBondContact O-N 3.45Å; P235-S239 PolarHBondContact O-OG 2.93Å; L236-S239 PolarHBondContact O-N 2.89Å; L236-S239 PolarHBondContact O-OG 3.25Å; S239-F241 VanDerWaalsContact C-N 3.33Å; S239-F241 PolarHBondContact O-N 3.42Å; S239-V242 PolarHBondContact O-N 3.5Å; S239-L243 VanDerWaalsContact O-CB 3.3Å; S239-L243 WeakPolarHBondContact O-CB 3.15Å; S239-L243 PolarHBondContact O-N 3.3Å
240L95.2Very high92.1Very high100 Ų10096.4 Ų96.452%0.52450%0.496SS..Hα-helixtrans-64.9-38.7175.4-70.2174.2000111.6L236 L237 L238 G244L236-L240 HydrophobicContact CG-CD1 4.43Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.48Å; L237-L240 PolarHBondContact O-N 3.01Å; L238-L240 PolarHBondContact O-N 2.9Å; L240-G244 PolarHBondContact O-N 3.4Å
241F94.8Very high92.1Very high133 Ų13396.7 Ų96.758%0.58350%0.5SS*.Hα-helixtrans-65.2-46.6176.1-176.8-105.3000111.9L237 L238 S239 L243 G244 L245L237-F241 WeakPolarHBondContact O-CB 3.4Å; L237-F241 PolarHBondContact O-N 3.33Å; L238-F241 PolarHBondContact O-N 3.08Å; S239-F241 VanDerWaalsContact C-N 3.33Å; S239-F241 PolarHBondContact O-N 3.42Å; F241-L243 PolarHBondContact O-N 2.94Å; F241-G244 PolarHBondContact O-N 3.4Å; F241-L245 HydrophobicContact CD1-CD1 4Å; F241-L245 HydrophobicContact CD1-CG 4.48Å; F241-L245 HydrophobicContact CE1-CD1 3.51Å; F241-L245 HydrophobicContact CE1-CG 4.16Å; F241-L245 HydrophobicContact CZ-CD1 3.96Å; F241-L245 HydrophobicContact CZ-CD2 4.37Å; F241-L245 HydrophobicContact CZ-CG 4.26Å; F241-L245 WeakPolarHBondContact O-CG 3.35Å; F241-L245 PolarHBondContact O-N 3.11Å
242V95.4Very high91.9Very high93 Ų9396.3 Ų96.356%0.56449%0.491SS*.Hα-helixtrans-62.8-42.3176.61740000111.1L238 S239 G244 L245 F246L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.74Å; S239-V242 PolarHBondContact O-N 3.5Å; V242-G244 VanDerWaalsContact C-N 3.33Å; V242-G244 PolarHBondContact O-N 2.97Å; V242-L245 PolarHBondContact O-N 3.34Å; V242-F246 WeakPolarHBondContact O-CB 3.35Å; V242-F246 PolarHBondContact O-N 3.42Å
243L95.1Very high91.1Very high92 Ų9296.5 Ų96.548%0.48249%0.489SS..Hα-helixtrans-62.4-41.9175.1-175.965.1000111.4S239 F241 F246 L247S239-L243 VanDerWaalsContact O-CB 3.3Å; S239-L243 WeakPolarHBondContact O-CB 3.15Å; S239-L243 PolarHBondContact O-N 3.3Å; F241-L243 PolarHBondContact O-N 2.94Å; L243-F246 PolarHBondContact O-N 3.42Å; L243-L247 HydrophobicContact CD1-CG 4.43Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 HydrophobicContact CG-CG 4.46Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 2.94Å
244G94.2Very high89.9Confident39 Ų3996.7 Ų96.740%0.40249%0.493SS..Hα-helixtrans-60.3-44.3174.900000112.5L240 F241 V242 W248L240-G244 PolarHBondContact O-N 3.4Å; F241-G244 PolarHBondContact O-N 3.4Å; V242-G244 VanDerWaalsContact C-N 3.33Å; V242-G244 PolarHBondContact O-N 2.97Å; G244-W248 VanDerWaalsContact O-CB 3.3Å; G244-W248 WeakPolarHBondContact O-CB 3.36Å; G244-W248 PolarHBondContact O-N 3.22Å
245L93.7Very high88.4Confident63 Ų6398.7 Ų98.733%0.3350%0.498SS..Hα-helixtrans-62.8-44.9173.9-69.8178.9000111.4F241 V242 W248 F249F241-L245 HydrophobicContact CD1-CD1 4Å; F241-L245 HydrophobicContact CD1-CG 4.48Å; F241-L245 HydrophobicContact CE1-CD1 3.51Å; F241-L245 HydrophobicContact CE1-CG 4.16Å; F241-L245 HydrophobicContact CZ-CD1 3.96Å; F241-L245 HydrophobicContact CZ-CD2 4.37Å; F241-L245 HydrophobicContact CZ-CG 4.26Å; F241-L245 WeakPolarHBondContact O-CG 3.35Å; F241-L245 PolarHBondContact O-N 3.11Å; V242-L245 PolarHBondContact O-N 3.34Å; L245-W248 HydrophobicContact CD2-CE3 4.24Å; L245-W248 WeakPolarHBondContact O-CB 3.43Å; L245-W248 PolarHBondContact O-N 2.87Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 2.86Å
246F93.6Very high86.9Confident121 Ų121100.7 Ų100.753%0.53150%0.501SS..Hα-helixtrans-61-46.9178.9-176.8-105.6000112.1V242 L243 W248 F249 L250V242-F246 WeakPolarHBondContact O-CB 3.35Å; V242-F246 PolarHBondContact O-N 3.42Å; L243-F246 PolarHBondContact O-N 3.42Å; F246-W248 VanDerWaalsContact C-N 3.3Å; F246-W248 PolarHBondContact O-N 3.27Å; F246-F249 WeakPolarHBondContact O-CB 3.46Å; F246-F249 PolarHBondContact O-N 3.19Å; F246-L250 HydrophobicContact CD1-CD1 3.89Å; F246-L250 HydrophobicContact CD1-CG 4.45Å; F246-L250 HydrophobicContact CE1-CD1 3.43Å; F246-L250 VanDerWaalsContact CE1-CD1 3.43Å; F246-L250 HydrophobicContact CE1-CG 4.14Å; F246-L250 HydrophobicContact CZ-CD1 3.9Å; F246-L250 HydrophobicContact CZ-CD2 4.33Å; F246-L250 HydrophobicContact CZ-CG 4.23Å; F246-L250 WeakPolarHBondContact O-CG 3.18Å; F246-L250 PolarHBondContact O-N 2.93Å
247L92.4Very high85.3Confident100 Ų100102.2 Ų102.252%0.52451%0.506SS..Hα-helixtrans-63.7-35.9175.1-67.9174.8000112.1L243 K251L243-L247 HydrophobicContact CD1-CG 4.43Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 HydrophobicContact CG-CG 4.46Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 2.94Å; L247-K251 WeakPolarHBondContact O-CB 3.3Å; L247-K251 PolarHBondContact O-N 2.87Å
248W90.7Very high83.7Confident147 Ų147100.3 Ų100.356%0.55750%0.501SS*.Hα-helixtrans-66.2-41174179.653.4000112.1G244 L245 F246 K251 R252G244-W248 VanDerWaalsContact O-CB 3.3Å; G244-W248 WeakPolarHBondContact O-CB 3.36Å; G244-W248 PolarHBondContact O-N 3.22Å; L245-W248 HydrophobicContact CD2-CE3 4.24Å; L245-W248 WeakPolarHBondContact O-CB 3.43Å; L245-W248 PolarHBondContact O-N 2.87Å; F246-W248 VanDerWaalsContact C-N 3.3Å; F246-W248 PolarHBondContact O-N 3.27Å; W248-K251 PolarHBondContact O-N 3.49Å; W248-R252 WeakPolarHBondContact O-CB 3.46Å; W248-R252 PolarHBondContact O-N 3.46Å
249F87.6Confident82.2Confident105 Ų105100.1 Ų100.146%0.46150%0.499SS..Hα-helixtrans-61.5-48.7173.7-89.6-73.5000111.8L245 F246 K251 R252 E253L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 2.86Å; F246-F249 WeakPolarHBondContact O-CB 3.46Å; F246-F249 PolarHBondContact O-N 3.19Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3Å; F249-R252 WeakPolarHBondContact O-CB 3.46Å; F249-R252 PolarHBondContact O-N 3.3Å; F249-R252 VanDerWaalsContact O-N 3.1Å; F249-E253 PolarHBondContact O-N 3.05Å
250L86.4Confident80.5Confident74 Ų74104.1 Ų104.139%0.38751%0.511SS..Hα-helixtrans-59.1-43.7176.4-69.4177.3000111.6F246 R252 E253 T254F246-L250 HydrophobicContact CD1-CD1 3.89Å; F246-L250 HydrophobicContact CD1-CG 4.45Å; F246-L250 HydrophobicContact CE1-CD1 3.43Å; F246-L250 VanDerWaalsContact CE1-CD1 3.43Å; F246-L250 HydrophobicContact CE1-CG 4.14Å; F246-L250 HydrophobicContact CZ-CD1 3.9Å; F246-L250 HydrophobicContact CZ-CD2 4.33Å; F246-L250 HydrophobicContact CZ-CG 4.23Å; F246-L250 WeakPolarHBondContact O-CG 3.18Å; F246-L250 PolarHBondContact O-N 2.93Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.92Å; L250-E253 PolarHBondContact O-N 3.49Å; L250-T254 PolarHBondContact O-N 3.22Å; L250-T254 VanDerWaalsContact O-N 3.11Å; L250-T254 PolarHBondContact O-OG1 3.04Å
251K85.2Confident78.9Confident149 Ų149106.2 Ų106.265%0.64852%0.519SS*.Hα-helixtrans-63.4-36.5176.4-175.2177178.2-179.20112.3L247 W248 F249 Q255L247-K251 WeakPolarHBondContact O-CB 3.3Å; L247-K251 PolarHBondContact O-N 2.87Å; W248-K251 PolarHBondContact O-N 3.49Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3Å; K251-Q255 WeakPolarHBondContact O-CB 3.47Å; K251-Q255 PolarHBondContact O-N 3.1Å
252R80.4Confident77.2Confident106 Ų106106.8 Ų106.840%0.452%0.521SS..Hα-helixtrans-66-42.1177.9-166.3178.294.7-163.74.3111.2W248 F249 L250 Q255 E256W248-R252 WeakPolarHBondContact O-CB 3.46Å; W248-R252 PolarHBondContact O-N 3.46Å; F249-R252 WeakPolarHBondContact O-CB 3.46Å; F249-R252 PolarHBondContact O-N 3.3Å; F249-R252 VanDerWaalsContact O-N 3.1Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.92Å; R252-Q255 PolarHBondContact O-N 2.83Å; R252-E256 IonicContact NE-OE1 3.79Å; R252-E256 PolarHBondContact O-N 3.25Å
253E73.1Confident75.5Confident122 Ų122109.8 Ų109.857%0.5753%0.526SS*.Hα-helixtrans-65.2-44.3179.2-155.1167.2-157.500111.3F249 L250 Q255 E256 E257F249-E253 PolarHBondContact O-N 3.05Å; L250-E253 PolarHBondContact O-N 3.49Å; E253-Q255 VanDerWaalsContact C-N 3.27Å; E253-Q255 PolarHBondContact O-N 3.24Å; E253-E256 PolarHBondContact O-N 3.33Å; E253-E257 PolarHBondContact O-N 2.9Å
254T66.1Low73.6Confident87 Ų87114.7 Ų114.753%0.53454%0.539SS..Hα-helixtrans-65.6-30.1173.4-36.60000112.7L250 S258L250-T254 PolarHBondContact O-N 3.22Å; L250-T254 VanDerWaalsContact O-N 3.11Å; L250-T254 PolarHBondContact O-OG1 3.04Å; T254-S258 WeakPolarHBondContact O-CB 3.43Å; T254-S258 PolarHBondContact O-N 3.3Å; T254-S258 PolarHBondContact O-OG 3.47Å
255Q61.3Low71.8Confident112 Ų112115.5 Ų115.552%0.52354%0.541SS..Hα-helixtrans-73.4-35.8176.5-160.7-179.76.300111.6K251 R252 E253 S258 I259K251-Q255 WeakPolarHBondContact O-CB 3.47Å; K251-Q255 PolarHBondContact O-N 3.1Å; R252-Q255 PolarHBondContact O-N 2.83Å; E253-Q255 VanDerWaalsContact C-N 3.27Å; E253-Q255 PolarHBondContact O-N 3.24Å; Q255-S258 WeakPolarHBondContact CA-OG 3.39Å; Q255-S258 PolarHBondContact O-OG 3.02Å; Q255-S258 VanDerWaalsContact O-OG 3.1Å; Q255-I259 HydrophobicContact CG-CD1 4.1Å; Q255-I259 WeakPolarHBondContact O-CB 3.44Å; Q255-I259 WeakPolarHBondContact O-CD1 3.2Å; Q255-I259 WeakPolarHBondContact O-CG1 3.4Å; Q255-I259 PolarHBondContact O-N 3.32Å
256E62.1Low69.9Low110 Ų110116.9 Ų116.951%0.51455%0.549SS..Hα-helixtrans-66.6-42.8173.2-75.7177.1-173.200111.4R252 E253 I259 E260R252-E256 IonicContact NE-OE1 3.79Å; R252-E256 PolarHBondContact O-N 3.25Å; E253-E256 PolarHBondContact O-N 3.33Å; E256-I259 PolarHBondContact O-N 3.1Å; E256-E260 PolarHBondContact O-N 3.06Å
257E61.6Low68.1Low128 Ų128117.2 Ų117.260%0.59856%0.555SS**Hα-helixtrans-61.7-44.5174.4-73-177.5158.600112.6E253 I259 E260 E261E253-E257 PolarHBondContact O-N 2.9Å; E257-I259 PolarHBondContact O-N 3.01Å; E257-E260 PolarHBondContact O-N 3.47Å; E257-E261 WeakPolarHBondContact O-CB 3.34Å; E257-E261 PolarHBondContact O-N 2.89Å
258S60Low66.1Low60 Ų60117.6 Ų117.642%0.4256%0.564SS.*Hα-helixtrans-71.1-27178.458.10000113.7T254 Q255 K262T254-S258 WeakPolarHBondContact O-CB 3.43Å; T254-S258 PolarHBondContact O-N 3.3Å; T254-S258 PolarHBondContact O-OG 3.47Å; Q255-S258 WeakPolarHBondContact CA-OG 3.39Å; Q255-S258 PolarHBondContact O-OG 3.02Å; Q255-S258 VanDerWaalsContact O-OG 3.1Å; S258-K262 WeakPolarHBondContact O-CB 3.47Å; S258-K262 PolarHBondContact O-N 2.92Å
259I63.2Low64.1Low100 Ų100120.4 Ų120.451%0.51358%0.575SS.*Hα-helixtrans-72.1-40.1171.8-71.8166000110.3Q255 E256 E257 K262 K263Q255-I259 HydrophobicContact CG-CD1 4.1Å; Q255-I259 WeakPolarHBondContact O-CB 3.44Å; Q255-I259 WeakPolarHBondContact O-CD1 3.2Å; Q255-I259 WeakPolarHBondContact O-CG1 3.4Å; Q255-I259 PolarHBondContact O-N 3.32Å; E256-I259 PolarHBondContact O-N 3.1Å; E257-I259 PolarHBondContact O-N 3.01Å; I259-K262 PolarHBondContact O-N 3.46Å; I259-K263 WeakPolarHBondContact O-CB 3.46Å; I259-K263 PolarHBondContact O-N 2.97Å
260E59.3Low62.2Low145 Ų145123.6 Ų123.668%0.67859%0.592SS**Hα-helixtrans-67.7-41176.5-168.4167-171.800111.9E256 E257 K263 R264E256-E260 PolarHBondContact O-N 3.06Å; E257-E260 PolarHBondContact O-N 3.47Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.93Å; E260-R264 PolarHBondContact O-N 2.98Å
261E60.2Low59.8Low144 Ų144125.9 Ų125.967%0.67361%0.608SS**Hα-helixtrans-66.4-39.1174.7-161179.3-161.200112E257 R264 A265E257-E261 WeakPolarHBondContact O-CB 3.34Å; E257-E261 PolarHBondContact O-N 2.89Å; E261-R264 WeakPolarHBondContact O-CB 3.13Å; E261-R264 PolarHBondContact O-N 3.2Å; E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.03Å
262K59.7Low57.6Low146 Ų146124.5 Ų124.564%0.63562%0.615SS**Hα-helixtrans-65.8-36.8173.6-172.5172.2-177.6177.40112.4S258 I259 R264 A265 D266S258-K262 WeakPolarHBondContact O-CB 3.47Å; S258-K262 PolarHBondContact O-N 2.92Å; I259-K262 PolarHBondContact O-N 3.46Å; K262-R264 VanDerWaalsContact C-N 3.33Å; K262-A265 PolarHBondContact O-N 2.98Å; K262-D266 PolarHBondContact O-N 2.97Å
263K58.8Low55.4Low155 Ų155127.2 Ų127.267%0.67464%0.637SS**Hα-helixtrans-65.8-36.6173.8-138.3177.7-175.1-177.80111.5I259 E260 I267I259-K263 WeakPolarHBondContact O-CB 3.46Å; I259-K263 PolarHBondContact O-N 2.97Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.93Å; K263-I267 WeakPolarHBondContact O-CD1 3.3Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.44Å; K263-I267 PolarHBondContact O-N 3.13Å
264R56.5Low53.5Low196 Ų196129.7 Ų129.774%0.7465%0.653SS**Hα-helixtrans-70.2-35.7174.7-158.4-174.3-132.4-151.14.7112.7E260 E261 K262 C268E260-R264 PolarHBondContact O-N 2.98Å; E261-R264 WeakPolarHBondContact O-CB 3.13Å; E261-R264 PolarHBondContact O-N 3.2Å; K262-R264 VanDerWaalsContact C-N 3.33Å; R264-C268 PolarHBondContact O-N 3.3Å
265A55.4Low52Low55 Ų55136.9 Ų136.946%0.45567%0.67SS.*Hα-helixtrans-73.1-33.9177.800000113.4E261 K262 C268E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.03Å; K262-A265 PolarHBondContact O-N 2.98Å; A265-C268 PolarHBondContact O-N 3.47Å
266D54.2Low51.2Low92 Ų92136.7 Ų136.749%0.49268%0.678SS.*Hα-helixtrans-69.7-35.7173.9-96.3-16.3000112.3K262 C268 R269K262-D266 PolarHBondContact O-N 2.97Å; D266-C268 PolarHBondContact O-N 3.32Å; D266-R269 PolarHBondContact O-N 3.41Å; D266-R269 VanDerWaalsContact O-N 3.13Å
267I55.8Low49.6Very low129 Ų129142.6 Ų142.666%0.66270%0.698SS**Hα-helixtrans-63.8-30.2174.9-66.3165.6000111.7K263 R269K263-I267 WeakPolarHBondContact O-CD1 3.3Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.44Å; K263-I267 PolarHBondContact O-N 3.13Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.39Å
268C51.2Low48.3Very low107 Ų107142.3 Ų142.372%0.72371%0.71SS**THydrogen-bonded Turntrans-80-5.7176.8-73.20000114.6R264 A265 D266R264-C268 PolarHBondContact O-N 3.3Å; A265-C268 PolarHBondContact O-N 3.47Å; D266-C268 PolarHBondContact O-N 3.32Å
269R48.2Very low47Very low206 Ų206142.6 Ų142.678%0.77772%0.723SS**THydrogen-bonded Turntrans-91.2-11177.9-87.8-177.1172.2147.5-1.6114.4D266 I267D266-R269 PolarHBondContact O-N 3.41Å; D266-R269 VanDerWaalsContact O-N 3.13Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.39Å
270E46.4Very low45.6Very low173 Ų173146.1 Ų146.181%0.80874%0.737SS**SBendtrans-96.926.5-174.8-88.9-166.9166.900115.7
271T36.7Very low44.3Very low121 Ų121144.6 Ų144.674%0.74273%0.733SS**  trans-132.2110.2168.2-45.70000111.8
272P38.8Very low43.1Very low121 Ų121143.8 Ų143.879%0.78674%0.739SS**  trans-75.9136.8174.4-9.425.6000112.1
273N35.6Very low41.8Very low163 Ų163145.9 Ų145.987%0.87275%0.75SS**  trans-50.4130.5172.5-72.9-66.6000114.8
274I32.3Very low40.5Very low173 Ų173148.8 Ų148.889%0.88776%0.759SS**  trans-136.9138.3144.1-61.8-176.5000109.7
275R33.9Very low39.4Very low238 Ų238147.1 Ų147.190%0.89877%0.765SS**  trans-65.8162.7-168.7-101.7-176.7-94.9-171.5-7.8115.8
276P45.6Very low38.6Very low108 Ų108149.7 Ų149.770%0.70178%0.775SS**  trans-88.8149.4-17436.4-31.7000112.3
277Y27.5Very low38.2Very low234 Ų234152.8 Ų152.892%0.91879%0.79SS**  trans-164.1131.2151.8-115.4-79.4000113.1
278S35.6Very low37.6Very low122 Ų122152.1 Ų152.185%0.85379%0.794SS**  trans77.2128.9145.8-147.10000122.6
279G32.8Very low36.8Very low67 Ų67157 Ų15769%0.69180%0.798SS**  trans108.489.8150.200000114.3
280E32.4Very low36.2Very low173 Ų173152.2 Ų152.281%0.80880%0.803SS**  81.3123.495.5-111.9-156.615600115.2
281N31.8Very low35.8Very low113 Ų113150.2 Ų150.260%0.60480%0.798SS**  trans107.9108.5141-54.5-16.7000119.4
282T35.7Very low35.7Very low128 Ų128155.7 Ų155.779%0.78581%0.805SS**  trans56.5121.6133.658.40000118.5
283E32.7Very low35.5Very low189 Ų189155.7 Ų155.788%0.88380%0.803SS**  177.4140104.3-167.8158.3-170.600109.7
284Y31.2Very low36Very low217 Ų217155 Ų15585%0.85180%0.798SS**  trans-77146.4-176.5-71.6-97.3000111
285D34.7Very low36.4Very low161 Ų161152.9 Ų152.986%0.86180%0.795SS**  trans-144.7136.6136.1-146.6-7.9000111.5
286T37.9Very low36.5Very low109 Ų109149 Ų14967%0.66979%0.789SS**  trans-133107.9-170.6-64.60000108.7
287I45.1Very low36.1Very low157 Ų157151.6 Ų151.681%0.80579%0.792SS**  trans-157.3162.8145.84.8-175.9000112.1
288P43.2Very low36.4Very low115 Ų115148.2 Ų148.275%0.74779%0.79SS**  -125.8178.7-120.534-10.9000114.3
289Y35Very low36.8Very low209 Ų209146.7 Ų146.782%0.8279%0.785SS**  trans-42.5142.9169.3-114.3-103000115.7N291Y289-N291 HydrophobicContact CD1-CB 3.92Å; Y289-N291 HydrophobicContact CE1-CB 4Å
290A35.2Very low37.2Very low106 Ų106148.1 Ų148.188%0.87679%0.789SS**  trans-136.6105.9143.900000109.1
291N38Very low37.4Very low131 Ų131147.2 Ų147.270%0.70179%0.79SS**  trans-96134.2167.2-160.34.1000107.5Y289Y289-N291 HydrophobicContact CD1-CB 3.92Å; Y289-N291 HydrophobicContact CE1-CB 4Å
292R34.2Very low37.8Very low235 Ų235148.6 Ų148.689%0.88780%0.803SS**  trans-146.694.7164.8-125.8-179.1-160.4177.75.8111.1
293T35.3Very low38Very low121 Ų121150.1 Ų150.174%0.74281%0.806SS**  35.1119.4128.6-11.30000119.7
294I45.3Very low38Very low149 Ų149152.2 Ų152.276%0.76481%0.807SS**  trans-62.5152.2157.6-57.5162.8000110.2
295P40.9Very low38.3Very low128 Ų128147.4 Ų147.483%0.83181%0.805SS**  -133.3160.7120.310.911.6000114.9
296M37.3Very low38.8Very low157 Ų157145.9 Ų145.977%0.77380%0.802SS**  trans-85.3176.2-169.3-159.4170.188.900113.8
297E36Very low39.1Very low163 Ų163147 Ų14776%0.76281%0.808SS**  trans84.7118.2161.7-68.9-176.8154.900118.2
298D34.8Very low38.8Very low163 Ų163148.2 Ų148.287%0.87281%0.811SS**  -159.9145.795.8-139-16.9000112.4
299A42.9Very low38.9Very low90 Ų90150.3 Ų150.374%0.74481%0.814SS**  trans-117130.217900000109.3
300A40.9Very low39.4Very low96 Ų96146.1 Ų146.179%0.79381%0.812SS**  trans-153.1103168.600000113.4
301N36.9Very low39.6Very low154 Ų154150.8 Ų150.882%0.82481%0.812SS**  trans24.2133136.2-64.5-8.2000121.8
302T39.9Very low39.5Very low142 Ų142152 Ų15287%0.87181%0.812SS**  165.315511431.30000109
303L40.2Very low39.9Very low161 Ų161148.9 Ų148.984%0.84381%0.811SS**  cis-174.4125.1-26.1176.190.4000103.2
304Y33.6Very low40.1Very low232 Ų232149.9 Ų149.991%0.9181%0.807SS**  trans-77.6147.5177-75.7-96.1000111.6
305S38.2Very low39.8Very low116 Ų116149.6 Ų149.681%0.81181%0.807SS**  trans-124.4113.4162.6-1750000110.2
306T44Very low40.2Very low130 Ų130148.7 Ų148.780%0.79880%0.801SS**PPolyproline II helixtrans-79.1137.6173.5-54.40000110
307V45.2Very low40.2Very low131 Ų131149.8 Ų149.879%0.79480%0.804SS**PPolyproline II helixtrans-101.2122.9173.2177.10000109.3
308E38.5Very low40.2Very low184 Ų184147.3 Ų147.386%0.8680%0.804SS**PPolyproline II helixtrans-69.8140175.6-76.7179.4135.100112.5
309I45.4Very low40.3Very low158 Ų158147 Ų14781%0.8180%0.802SS**PPolyproline II helixtrans-95.2127.8170.7-58.5168.8000108.3
310P45.3Very low40Very low121 Ų121151 Ų15179%0.78681%0.81SS**PPolyproline II helixtrans-71.6138.2174.7-13.327.6000112.3
311K38.5Very low39.6Very low204 Ų204152.1 Ų152.189%0.88781%0.807SS**PPolyproline II helixtrans-71.6141178.1-75.3175.5176.9173.40112.7
312K37.3Very low39.6Very low158 Ų158152.1 Ų152.169%0.68780%0.804SS**PPolyproline II helixtrans-51.5126.6162.8-176-172.8177.9-151.30110.7E314K312-E314 WeakPolarHBondContact CE-OE1 3.4Å; K312-E314 IonicContact NZ-OE1 2.58Å; K312-E314 PolarHBondContact NZ-OE1 3.05Å; K312-E314 IonicContact NZ-OE2 2.74Å; K312-E314 PolarHBondContact NZ-OE2 3.36Å
313I42Very low40.1Very low169 Ų169150.5 Ų150.587%0.86780%0.796SS**PPolyproline II helixtrans-94.5131.9164.6-98.3170.1000108.6
314E39.2Very low39.9Very low142 Ų142149.8 Ų149.866%0.66479%0.793SS**  trans-133.3148.7174.8-152.8159-137.900107.4K312K312-E314 WeakPolarHBondContact CE-OE1 3.4Å; K312-E314 IonicContact NZ-OE1 2.58Å; K312-E314 PolarHBondContact NZ-OE1 3.05Å; K312-E314 IonicContact NZ-OE2 2.74Å; K312-E314 PolarHBondContact NZ-OE2 3.36Å
315N38Very low40.5Very low143 Ų143144.7 Ų144.777%0.76579%0.786SS**  trans89162.1167.7-103.2-5.6000120.5
316P49.4Very low41Very low108 Ų108144.9 Ų144.970%0.70179%0.785SS**  cis-136.7-178.4-31.928.5-6.3000115.3
317H38.3Very low40.7Very low180 Ų180148.7 Ų148.783%0.83378%0.784SS**  trans-43.9157.3177.2-65.3-77.2000122.6
318S36.4Very low40.5Very low111 Ų111150.6 Ų150.678%0.77679%0.789SS**  -166.8111.8127.149.10000110.7
319L36.7Very low40.5Very low156 Ų156149.1 Ų149.182%0.81778%0.78SS**  70.3112.491.3-98164.2000115.6
320L36.3Very low40.3Very low176 Ų176145.9 Ų145.992%0.92178%0.777SS**  trans-149.9129.4148.9-125.4147000110.7
321T32.8Very low40.2Very low118 Ų118150.3 Ų150.372%0.72478%0.78SS**  trans-85.9148.5-166.7-480000112.2
322M37.3Very low40.8Very low154 Ų154149.6 Ų149.676%0.75978%0.78SS**  trans-57.7166.4168.6-66.7-73.8-67.100113
323P50.8Low41.1Very low108 Ų108149.7 Ų149.770%0.70179%0.788SS**  -147.1179.781.228.4-4.2000112.1
324D35.7Very low41.2Very low146 Ų146148.3 Ų148.378%0.78179%0.787SS**  cis-162.6160.7-7-113.6-33.4000107.2
325T45.8Very low41.7Very low126 Ų126152.9 Ų152.977%0.77381%0.813SS**  trans-84.9158.5174.3-41.20000110.8
326P47.8Very low41.8Very low119 Ų119153.4 Ų153.477%0.77382%0.816SS**  trans-124.4117.3148.828.6-13.1000114.1
327R38.2Very low41.4Very low210 Ų210155.7 Ų155.779%0.79282%0.822SS**  trans25.9123.4138-72.8-178.2174.5172.9-1.9121F329R327-F329 HydrophobicContact CB-CD2 4.42Å; R327-F329 HydrophobicContact CB-CE2 4.17Å
328L40.6Very low41.6Very low172 Ų172154.4 Ų154.490%0.90182%0.821SS**  trans-53.7137.3142.1-10085.4000111.1
329F39.8Very low41.9Very low152 Ų152156.9 Ų156.967%0.66782%0.824SS**  trans-120.1118155.4-84.9-83.4000109.4R327R327-F329 HydrophobicContact CB-CD2 4.42Å; R327-F329 HydrophobicContact CB-CE2 4.17Å
330A40.3Very low42.3Very low91 Ų91157 Ų15775%0.75282%0.824SS**  trans-75146.5158.700000109
331Y44.5Very low42.7Very low214 Ų214155.7 Ų155.784%0.83982%0.818SS**  trans-126125.4160.2-93.2-86.4000109.1
332E50.2Low43.4Very low188 Ų188158.4 Ų158.488%0.87982%0.824SS**  trans-74.2154.7170.3-83.1170.2130.500112.1
333N42.5Very low43.8Very low161 Ų161158.8 Ų158.886%0.86183%0.829SS**  trans-77.7132164.1-67.4-35.9000111.3
334V44.1Very low43.2Very low140 Ų140163 Ų16385%0.84884%0.84SS**  trans-167.1120.1140-162.30000103.9
335I49.7Very low43.9Very low237 Ų237164.5 Ų164.5100%1.21585%0.845SS**  -149.1055.9-71.3167.7000108.5

Retrieved 335 of 335 residues in 342 ms (Link to these results)