A0A087YDH8_POEFO Loading...

VPS26, retromer complex component A

AlphaFold DB , UniProt , Accession A0A087YDH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M38.3Very low52.3Low242 Ų242125.1 Ų125.1100%1.19274%0.74SS**  0104.60-78.7-78.6-117.800108.1
2S39.4Very low55.5Low122 Ų122115.3 Ų115.385%0.85368%0.682SS**  trans164.674.2156.1-89.30000108.4
3F42.8Very low58.4Low212 Ų212113 Ų11393%0.9366%0.661SS**  trans-129.140.1177.5-109.6-83.6000110
4L44.3Very low61.1Low162 Ų162105.9 Ų105.985%0.84862%0.619SS**  trans-131.229.5-173.9-99164000113
5G37.2Very low63.5Low84 Ų84102.8 Ų102.887%0.86660%0.598SS**SBendtrans-105.8-6.8-178.800000116.6
6G42.3Very low65.6Low74 Ų7497.4 Ų97.476%0.76357%0.567SS**SBendtrans-109.10.2-166.600000117.4
7L49.9Very low67.5Low128 Ų12895.4 Ų95.467%0.6756%0.556SS**SBendtrans-95.6-0.2-164.2-102.5120.7000116.7
8F58.3Low69.2Low195 Ų19590.5 Ų90.586%0.85553%0.528SS*.  trans-133.431.4-171.8-63.5-78.7000114.5
9G63.8Low70.7Confident42 Ų4291.5 Ų91.543%0.43353%0.531SS..  trans-74149.4169.600000112V11G9-V11 PolarHBondContact O-N 3.4Å
10P75.1Confident71.9Confident75 Ų7589.9 Ų89.949%0.48752%0.52SS..  trans-58.2137.9176.624.9-33.1000110.6C12P10-C12 PolarHBondContact O-N 3.35Å
11V84.3Confident73Confident40 Ų4086.7 Ų86.724%0.24250%0.504CS..SBendtrans-61.6-33.9-177-179.40000111.4G9 K57 L63G9-V11 PolarHBondContact O-N 3.4Å; V11-K57 PolarHBondContact O-N 3.38Å; V11-L63 HydrophobicContact CG1-CD1 4.14Å
12C90.3Very high75.6Confident7 Ų784.1 Ų84.15%0.04749%0.489CS..EExtended strand (participates in β ladder)trans-141.8138.6174.2-179.10000108.9P10 N55 L63 L143P10-C12 PolarHBondContact O-N 3.35Å; C12-N55 CarbonylContact C-O 3.51Å; C12-N55 VanDerWaalsContact CA-O 3.31Å; C12-N55 WeakPolarHBondContact CA-O 3.44Å; C12-L63 HydrophobicContact CB-CD2 3.68Å; C12-L143 HydrophobicContact CB-CD1 3.98Å
13E92.7Very high78.2Confident86 Ų8685.1 Ų85.140%0.40249%0.485SS..EExtended strand (participates in β ladder)trans-101.5127.5169.2174.4171.1-115.200108.8N55 K57E13-N55 HydrophobicContact CB-CB 4.25Å; E13-N55 PolarHBondContact N-O 3.14Å; E13-N55 PolarHBondContact O-N 3.47Å; E13-K57 HydrophobicContact CB-CD 4.5Å; E13-K57 IonicContact OE1-NZ 3.06Å; E13-K57 PolarHBondContact OE1-NZ 3.3Å; E13-K57 WeakPolarHBondContact OE2-CE 3.5Å; E13-K57 IonicContact OE2-NZ 3.43Å; E13-K57 PolarHBondContact OE2-NZ 3.43Å
14I96.4Very high80.7Confident14 Ų1476.8 Ų76.87%0.07245%0.448CS..EExtended strand (participates in β ladder)trans-98.6127.9179.5-56.4173000107.4V52 L54 V134 I136 L143 K145 Y147I14-V52 HydrophobicContact CG2-CG1 4.29Å; I14-L54 HydrophobicContact CB-CD2 4.25Å; I14-L54 HydrophobicContact CG1-CD2 3.88Å; I14-L54 HydrophobicContact CG2-CD2 4.03Å; I14-V134 HydrophobicContact CD1-CG1 4.26Å; I14-V134 HydrophobicContact CG2-CB 3.78Å; I14-V134 HydrophobicContact CG2-CG1 3.66Å; I14-V134 HydrophobicContact CG2-CG2 4.17Å; I14-I136 HydrophobicContact CD1-CD1 3.91Å; I14-I136 HydrophobicContact CD1-CG1 4.16Å; I14-I136 HydrophobicContact CG1-CD1 4.01Å; I14-L143 HydrophobicContact CD1-CB 4.08Å; I14-K145 HydrophobicContact CB-CB 3.83Å; I14-K145 HydrophobicContact CB-CG 4.22Å; I14-K145 HydrophobicContact CD1-CB 4Å; I14-K145 HydrophobicContact CG1-CB 4.47Å; I14-K145 HydrophobicContact CG2-CB 3.9Å; I14-K145 HydrophobicContact CG2-CG 4.33Å; I14-Y147 PolarHBondContact O-OH 3.22Å
15D97.2Very high83.2Confident59 Ų5974.6 Ų74.632%0.31643%0.431SS..EExtended strand (participates in β ladder)trans-126.1145.2171.6-174.352000112.2V17 V52 N53 Y147D15-V17 VanDerWaalsContact OD2-CG2 3.3Å; D15-V17 WeakPolarHBondContact OD2-CG2 3.42Å; D15-V52 CarbonylContact O-C 3.58Å; D15-V52 WeakPolarHBondContact O-CA 3.42Å; D15-N53 HydrophobicContact CB-CB 4.25Å; D15-N53 PolarHBondContact N-O 3.42Å; D15-N53 PolarHBondContact O-N 2.83Å; D15-Y147 VanDerWaalsContact CA-OH 3.24Å; D15-Y147 WeakPolarHBondContact CA-OH 3.38Å; D15-Y147 PolarHBondContact OD1-OH 3.13Å
16V98.1Very high86Confident16 Ų1673.4 Ų73.410%0.09741%0.407CS..EExtended strand (participates in β ladder)trans-126121.3177.41770000109V52 F109 L132 V134 Y147V16-V52 HydrophobicContact CG2-CG2 4.29Å; V16-F109 HydrophobicContact CG1-CE1 3.93Å; V16-F109 HydrophobicContact CG1-CZ 4.06Å; V16-L132 HydrophobicContact CG1-CD1 3.91Å; V16-V134 HydrophobicContact CG2-CG2 3.58Å; V16-Y147 HydrophobicContact CB-CD1 4.03Å; V16-Y147 HydrophobicContact CB-CD2 3.67Å; V16-Y147 HydrophobicContact CB-CE1 4.03Å; V16-Y147 HydrophobicContact CB-CE2 3.67Å; V16-Y147 HydrophobicContact CB-CG 3.89Å; V16-Y147 HydrophobicContact CG2-CD2 3.45Å; V16-Y147 VanDerWaalsContact CG2-CD2 3.45Å; V16-Y147 HydrophobicContact CG2-CE2 3.35Å; V16-Y147 HydrophobicContact CG2-CG 4.18Å; V16-Y147 PolarHBondContact N-OH 3.31Å
17V97.9Very high88.6Confident63 Ų6370.4 Ų70.438%0.38238%0.375SS..EExtended strand (participates in β ladder)trans-116.7120.1177.7-177.20000108.9D15 A21 G50 K51D15-V17 VanDerWaalsContact OD2-CG2 3.3Å; D15-V17 WeakPolarHBondContact OD2-CG2 3.42Å; V17-A21 HydrophobicContact CG1-CB 4.47Å; V17-G50 CarbonylContact O-C 3.58Å; V17-G50 WeakPolarHBondContact O-CA 3.4Å; V17-K51 PolarHBondContact N-O 2.84Å; V17-K51 PolarHBondContact O-N 2.77Å
18L98.3Very high90.7Very high8 Ų871 Ų714%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-71144.5173.6-61.4179000110.5D20 A21 Y40 F42 V48 F109 L132L18-D20 PolarHBondContact O-N 3.11Å; L18-D20 VanDerWaalsContact O-N 3.15Å; L18-A21 HydrophobicContact CB-CB 4.33Å; L18-A21 VanDerWaalsContact O-CB 3.31Å; L18-A21 WeakPolarHBondContact O-CB 3.44Å; L18-A21 PolarHBondContact O-N 2.71Å; L18-A21 VanDerWaalsContact O-N 3.17Å; L18-Y40 HydrophobicContact CD1-CD1 4.45Å; L18-Y40 HydrophobicContact CD1-CD2 3.53Å; L18-Y40 HydrophobicContact CD1-CE2 4.1Å; L18-Y40 HydrophobicContact CD1-CG 3.74Å; L18-Y40 HydrophobicContact CG-CD2 4.4Å; L18-F42 HydrophobicContact CD1-CE2 3.89Å; L18-F42 HydrophobicContact CD1-CZ 3.82Å; L18-V48 HydrophobicContact CD2-CG1 4.27Å; L18-F109 HydrophobicContact CD2-CZ 4.31Å; L18-L132 HydrophobicContact CD2-CD1 4.03Å
19N97.7Very high92.4Very high109 Ų10963.3 Ų63.358%0.58334%0.342SS*.THydrogen-bonded Turntrans-59.8-29.1-178-77.6-22.1000113.3S49 G50N19-S49 PolarHBondContact N-O 2.83Å; N19-S49 WeakPolarHBondContact ND2-CB 2.79Å; N19-S49 PolarHBondContact ND2-OG 3.29Å; N19-G50 PolarHBondContact ND2-N 3.36Å; N19-G50 WeakPolarHBondContact OD1-CA 3.17Å
20D94.7Very high93.7Very high60 Ų6066.5 Ų66.532%0.32134%0.344SS..THydrogen-bonded Turntrans-112.220.9-178.564.1-15.8000113.4L18 E22 N23 R24L18-D20 PolarHBondContact O-N 3.11Å; L18-D20 VanDerWaalsContact O-N 3.15Å; D20-E22 PolarHBondContact O-N 3.48Å; D20-E22 VanDerWaalsContact O-N 3.09Å; D20-N23 PolarHBondContact O-N 3Å; D20-R24 VanDerWaalsContact O-CB 3.29Å; D20-R24 WeakPolarHBondContact O-CB 3.28Å; D20-R24 PolarHBondContact O-N 3.03Å; D20-R24 IonicContact OD1-CZ 3.64Å; D20-R24 IonicContact OD1-NE 3.62Å; D20-R24 PolarHBondContact OD1-NE 3.32Å; D20-R24 IonicContact OD1-NH2 3.53Å; D20-R24 IonicContact OD2-CZ 3.69Å; D20-R24 IonicContact OD2-NE 3.86Å; D20-R24 PolarHBondContact OD2-NE 3.3Å; D20-R24 IonicContact OD2-NH2 3.61Å; D20-R24 PolarHBondContact OD2-NH2 3.31Å
21A94.1Very high94.2Very high23 Ų2363.9 Ų63.919%0.1933%0.327CS..THydrogen-bonded Turntrans-47.8-40.6-175.600000114.5V17 L18 N23 Y40V17-A21 HydrophobicContact CG1-CB 4.47Å; L18-A21 HydrophobicContact CB-CB 4.33Å; L18-A21 VanDerWaalsContact O-CB 3.31Å; L18-A21 WeakPolarHBondContact O-CB 3.44Å; L18-A21 PolarHBondContact O-N 2.71Å; L18-A21 VanDerWaalsContact O-N 3.17Å; A21-N23 VanDerWaalsContact C-N 3.32Å; A21-N23 PolarHBondContact O-N 3.49Å; A21-Y40 HydrophobicContact CB-CE1 4.48Å; A21-Y40 WeakPolarHBondContact CB-OH 3.33Å; A21-Y40 WeakPolarHBondContact O-CE1 3.42Å
22E93Very high94.1Very high188 Ų18867.6 Ų67.688%0.87934%0.341SS*.THydrogen-bonded Turntrans-66.4-31.4-178.4-63.5-175.4171.200113.7D20D20-E22 PolarHBondContact O-N 3.48Å; D20-E22 VanDerWaalsContact O-N 3.09Å
23N94.2Very high93.8Very high143 Ų14372 Ų7277%0.76536%0.364SS*.THydrogen-bonded Turntrans-108.9-14.5-174.2-65.4-60.8000112.7D20 A21 K25D20-N23 PolarHBondContact O-N 3Å; A21-N23 VanDerWaalsContact C-N 3.32Å; A21-N23 PolarHBondContact O-N 3.49Å; N23-K25 PolarHBondContact O-N 2.89Å
24R95.3Very high93.5Very high37 Ų3769.8 Ų69.814%0.1436%0.364CS..  trans-69.2133.1-177.1-176.4166.2-76.8-89.2-0.4109.9D20 Y40 L41 F42 E46D20-R24 VanDerWaalsContact O-CB 3.29Å; D20-R24 WeakPolarHBondContact O-CB 3.28Å; D20-R24 PolarHBondContact O-N 3.03Å; D20-R24 IonicContact OD1-CZ 3.64Å; D20-R24 IonicContact OD1-NE 3.62Å; D20-R24 PolarHBondContact OD1-NE 3.32Å; D20-R24 IonicContact OD1-NH2 3.53Å; D20-R24 IonicContact OD2-CZ 3.69Å; D20-R24 IonicContact OD2-NE 3.86Å; D20-R24 PolarHBondContact OD2-NE 3.3Å; D20-R24 IonicContact OD2-NH2 3.61Å; D20-R24 PolarHBondContact OD2-NH2 3.31Å; R24-Y40 HydrophobicContact CB-CD1 3.94Å; R24-Y40 HydrophobicContact CB-CE1 4.29Å; R24-Y40 HydrophobicContact CG-CD1 3.83Å; R24-Y40 HydrophobicContact CG-CG 4.42Å; R24-L41 PolarHBondContact NH1-O 3.07Å; R24-F42 VanDerWaalsContact NH1-CZ 3.27Å; R24-E46 IonicContact CZ-OE2 3.14Å; R24-E46 IonicContact NH1-OE2 3.68Å; R24-E46 PolarHBondContact NH1-OE2 3.22Å; R24-E46 IonicContact NH2-OE2 2.69Å
25K96.2Very high93.2Very high116 Ų11675.3 Ų75.350%0.50439%0.388SS..  trans-67.1152.7176.2-67.9-179.3-177.1173.30110.2N23 L41N23-K25 PolarHBondContact O-N 2.89Å; K25-L41 HydrophobicContact CB-CB 4.36Å; K25-L41 HydrophobicContact CB-CD2 4.43Å; K25-L41 WeakPolarHBondContact O-CB 3.36Å; K25-L41 PolarHBondContact O-N 3.38Å
26T96.8Very high93Very high59 Ų5976.8 Ų76.836%0.36240%0.399SS..EExtended strand (participates in β ladder)trans-115.2155.2171.154.50000110.1K38 H39 Y40T26-K38 VanDerWaalsContact CB-CE 3.48Å; T26-K38 HydrophobicContact CG2-CG 4.33Å; T26-K38 WeakPolarHBondContact OG1-CE 3.48Å; T26-H39 CarbonylContact C-O 3.54Å; T26-H39 WeakPolarHBondContact CA-O 3.28Å; T26-H39 WeakPolarHBondContact CB-O 3.41Å; T26-Y40 HydrophobicContact CG2-CD1 4.05Å; T26-Y40 HydrophobicContact CG2-CE1 4.34Å
27A96.1Very high92.7Very high11 Ų1179.6 Ų79.69%0.09141%0.411CS..EExtended strand (participates in β ladder)trans-123.4160.9168.800000109.8K38 H39 L41 I150A27-K38 WeakPolarHBondContact O-CA 3.38Å; A27-H39 PolarHBondContact N-O 3.2Å; A27-H39 PolarHBondContact O-N 3.17Å; A27-L41 HydrophobicContact CB-CB 4.25Å; A27-L41 HydrophobicContact CB-CD1 4.11Å; A27-L41 HydrophobicContact CB-CD2 4.46Å; A27-I150 HydrophobicContact CB-CB 4.18Å; A27-I150 HydrophobicContact CB-CD1 3.86Å; A27-I150 HydrophobicContact CB-CG2 3.79Å; A27-I150 WeakPolarHBondContact O-CD1 3.48Å
28E95Very high92.7Very high139 Ų13983 Ų8365%0.6542%0.421SS*.EExtended strand (participates in β ladder)trans-100.6138.9173.6-74172.9-168.400108.9V36 E37E28-V36 HydrophobicContact CB-CG1 3.7Å; E28-V36 HydrophobicContact CG-CG1 3.89Å; E28-E37 CarbonylContact C-O 3.58Å; E28-E37 VanDerWaalsContact CA-O 3.28Å; E28-E37 WeakPolarHBondContact CA-O 3.43Å
29L92.9Very high92.6Very high34 Ų3484.5 Ų84.518%0.17843%0.427CS..EExtended strand (participates in β ladder)trans-133.2129.7174.5-175.369.1000108.5E37 I150L29-E37 PolarHBondContact N-O 3.09Å; L29-E37 PolarHBondContact O-N 3.39Å; L29-I150 HydrophobicContact CB-CD1 3.7Å; L29-I150 HydrophobicContact CB-CG1 4.19Å; L29-I150 HydrophobicContact CD2-CG1 4.47Å
30K91.6Very high92.6Very high109 Ų10983.1 Ų83.147%0.47442%0.415SS..EExtended strand (participates in β ladder)trans-76.3130.6172.6-165.5176.5178.8-176.60109.5K35 T122K30-K35 CarbonylContact C-O 3.5Å; K30-K35 VanDerWaalsContact CA-O 3.31Å; K30-K35 WeakPolarHBondContact CA-O 3.45Å; K30-T122 VanDerWaalsContact O-CB 3.25Å; K30-T122 WeakPolarHBondContact O-CB 3.29Å; K30-T122 PolarHBondContact O-OG1 3.04Å
31T86.4Confident92.8Very high20 Ų2080.9 Ų80.912%0.12340%0.403CS..  trans-88.2170.6177.553.60000111.2D33 G34 K35 E37T31-D33 WeakPolarHBondContact CB-OD1 3.3Å; T31-D33 PolarHBondContact O-N 2.88Å; T31-D33 PolarHBondContact OG1-OD1 3.42Å; T31-G34 PolarHBondContact O-N 3.41Å; T31-K35 PolarHBondContact N-O 3.5Å; T31-K35 WeakPolarHBondContact OG1-CB 3.5Å; T31-K35 PolarHBondContact OG1-N 3.13Å; T31-K35 PolarHBondContact OG1-O 2.84Å; T31-E37 HydrophobicContact CG2-CB 4.29Å; T31-E37 VanDerWaalsContact CG2-CD 3.47Å; T31-E37 HydrophobicContact CG2-CG 3.62Å
32E81.7Confident93Very high118 Ų11879.9 Ų79.955%0.55139%0.394SS*.THydrogen-bonded Turntrans-57.8-34.8178.1-66.6165.8-147.600112.9G34 F79 T122E32-G34 PolarHBondContact O-N 3.44Å; E32-F79 HydrophobicContact CG-CE2 4.09Å; E32-F79 HydrophobicContact CG-CZ 3.87Å; E32-F79 VanDerWaalsContact OE1-CE1 3.31Å; E32-F79 WeakPolarHBondContact OE1-CE1 3.31Å; E32-F79 WeakPolarHBondContact OE1-CZ 3.47Å; E32-T122 HydrophobicContact CG-CG2 3.8Å
33D84.6Confident93.2Very high100 Ų10072.6 Ų72.654%0.53536%0.359SS..THydrogen-bonded Turntrans-83.37.917768.7-25.4000113.4T31 K35T31-D33 WeakPolarHBondContact CB-OD1 3.3Å; T31-D33 PolarHBondContact O-N 2.88Å; T31-D33 PolarHBondContact OG1-OD1 3.42Å; D33-K35 VanDerWaalsContact C-N 3.27Å; D33-K35 PolarHBondContact O-N 3.42Å; D33-K35 VanDerWaalsContact OD2-CD 3.26Å; D33-K35 WeakPolarHBondContact OD2-CD 3.4Å; D33-K35 WeakPolarHBondContact OD2-CE 3.2Å; D33-K35 IonicContact OD2-NZ 3Å; D33-K35 PolarHBondContact OD2-NZ 2.99Å
34G84.4Confident93.3Very high39 Ų3970.2 Ų70.240%0.40235%0.346SS..SBendtrans78.24.4176.600000114.8T31 E32T31-G34 PolarHBondContact O-N 3.41Å; E32-G34 PolarHBondContact O-N 3.44Å
35K90.8Very high93.2Very high130 Ų13070.3 Ų70.357%0.56536%0.359SS*.  trans-71.8154.2171.7-65.4-178.6-175.11310110.4K30 T31 D33K30-K35 CarbonylContact C-O 3.5Å; K30-K35 VanDerWaalsContact CA-O 3.31Å; K30-K35 WeakPolarHBondContact CA-O 3.45Å; T31-K35 PolarHBondContact N-O 3.5Å; T31-K35 WeakPolarHBondContact OG1-CB 3.5Å; T31-K35 PolarHBondContact OG1-N 3.13Å; T31-K35 PolarHBondContact OG1-O 2.84Å; D33-K35 VanDerWaalsContact C-N 3.27Å; D33-K35 PolarHBondContact O-N 3.42Å; D33-K35 VanDerWaalsContact OD2-CD 3.26Å; D33-K35 WeakPolarHBondContact OD2-CD 3.4Å; D33-K35 WeakPolarHBondContact OD2-CE 3.2Å; D33-K35 IonicContact OD2-NZ 3Å; D33-K35 PolarHBondContact OD2-NZ 2.99Å
36V92.6Very high93.3Very high90 Ų9067.6 Ų67.655%0.54535%0.347SS..EExtended strand (participates in β ladder)trans-104.7114.4173.6-178.30000107.6E28E28-V36 HydrophobicContact CB-CG1 3.7Å; E28-V36 HydrophobicContact CG-CG1 3.89Å
37E93.3Very high93.3Very high75 Ų7566.9 Ų66.935%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-101.2150174.9-68.1-172.6169.600110.8E28 L29 T31 H39E28-E37 CarbonylContact C-O 3.58Å; E28-E37 VanDerWaalsContact CA-O 3.28Å; E28-E37 WeakPolarHBondContact CA-O 3.43Å; L29-E37 PolarHBondContact N-O 3.09Å; L29-E37 PolarHBondContact O-N 3.39Å; T31-E37 HydrophobicContact CG2-CB 4.29Å; T31-E37 VanDerWaalsContact CG2-CD 3.47Å; T31-E37 HydrophobicContact CG2-CG 3.62Å; E37-H39 WeakPolarHBondContact CB-NE2 3.14Å; E37-H39 IonicContact OE2-CD2 3.06Å; E37-H39 IonicContact OE2-CE1 3.68Å; E37-H39 PolarHBondContact OE2-CE1 3.15Å; E37-H39 IonicContact OE2-NE2 3.3Å; E37-H39 PolarHBondContact OE2-NE2 3.46Å
38K96.2Very high93.5Very high134 Ų13466.3 Ų66.358%0.58334%0.341SS*.EExtended strand (participates in β ladder)trans-120.5116.9-177.6-175.7179.2-180-178.90109.8T26 A27T26-K38 VanDerWaalsContact CB-CE 3.48Å; T26-K38 HydrophobicContact CG2-CG 4.33Å; T26-K38 WeakPolarHBondContact OG1-CE 3.48Å; A27-K38 WeakPolarHBondContact O-CA 3.38Å
39H97.5Very high93.6Very high40 Ų4060.9 Ų60.919%0.18532%0.318CS..EExtended strand (participates in β ladder)trans-128.9162.9-176.4-59.7-59.1000111.4T26 A27 E37 I150T26-H39 CarbonylContact C-O 3.54Å; T26-H39 WeakPolarHBondContact CA-O 3.28Å; T26-H39 WeakPolarHBondContact CB-O 3.41Å; A27-H39 PolarHBondContact N-O 3.2Å; A27-H39 PolarHBondContact O-N 3.17Å; E37-H39 WeakPolarHBondContact CB-NE2 3.14Å; E37-H39 IonicContact OE2-CD2 3.06Å; E37-H39 IonicContact OE2-CE1 3.68Å; E37-H39 PolarHBondContact OE2-CE1 3.15Å; E37-H39 IonicContact OE2-NE2 3.3Å; E37-H39 PolarHBondContact OE2-NE2 3.46Å; H39-I150 HydrophobicContact CB-CD1 3.81Å; H39-I150 HydrophobicContact CB-CG1 3.94Å
40Y98.3Very high93.9Very high81 Ų8159.2 Ų59.232%0.31831%0.309SS..EExtended strand (participates in β ladder)trans-64.1136.6176.4-70.1-65.8000111.2L18 A21 R24 T26 I150L18-Y40 HydrophobicContact CD1-CD1 4.45Å; L18-Y40 HydrophobicContact CD1-CD2 3.53Å; L18-Y40 HydrophobicContact CD1-CE2 4.1Å; L18-Y40 HydrophobicContact CD1-CG 3.74Å; L18-Y40 HydrophobicContact CG-CD2 4.4Å; A21-Y40 HydrophobicContact CB-CE1 4.48Å; A21-Y40 WeakPolarHBondContact CB-OH 3.33Å; A21-Y40 WeakPolarHBondContact O-CE1 3.42Å; R24-Y40 HydrophobicContact CB-CD1 3.94Å; R24-Y40 HydrophobicContact CB-CE1 4.29Å; R24-Y40 HydrophobicContact CG-CD1 3.83Å; R24-Y40 HydrophobicContact CG-CG 4.42Å; T26-Y40 HydrophobicContact CG2-CD1 4.05Å; T26-Y40 HydrophobicContact CG2-CE1 4.34Å; Y40-I150 PolarHBondContact O-N 2.86Å
41L97.9Very high94.2Very high13 Ų1358 Ų587%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-93.3131.5-178.2177.862000110.5R24 K25 A27 Y43 I150 H152R24-L41 PolarHBondContact NH1-O 3.07Å; K25-L41 HydrophobicContact CB-CB 4.36Å; K25-L41 HydrophobicContact CB-CD2 4.43Å; K25-L41 WeakPolarHBondContact O-CB 3.36Å; K25-L41 PolarHBondContact O-N 3.38Å; A27-L41 HydrophobicContact CB-CB 4.25Å; A27-L41 HydrophobicContact CB-CD1 4.11Å; A27-L41 HydrophobicContact CB-CD2 4.46Å; L41-Y43 HydrophobicContact CD2-CE2 4.25Å; L41-Y43 WeakPolarHBondContact CD2-OH 3.29Å; L41-Y43 HydrophobicContact CG-CE2 4.36Å; L41-I150 CarbonylContact C-O 3.36Å; L41-I150 WeakPolarHBondContact CA-O 3.45Å; L41-I150 HydrophobicContact CD1-CG2 4.07Å; L41-H152 HydrophobicContact CD1-CB 3.9Å; L41-H152 WeakPolarHBondContact CD1-ND1 3.13Å
42F97.8Very high94.8Very high1 Ų157 Ų570%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-124.7157.9173.6-76.6-98.6000110.9L18 R24 E46 V48 K116 L149 I150 V151 H152L18-F42 HydrophobicContact CD1-CE2 3.89Å; L18-F42 HydrophobicContact CD1-CZ 3.82Å; R24-F42 VanDerWaalsContact NH1-CZ 3.27Å; F42-E46 HydrophobicContact CD1-CB 4.15Å; F42-V48 HydrophobicContact CD1-CG2 3.98Å; F42-V48 HydrophobicContact CE1-CB 4.21Å; F42-V48 HydrophobicContact CE1-CG1 4.11Å; F42-V48 HydrophobicContact CE1-CG2 3.67Å; F42-V48 HydrophobicContact CZ-CG1 4.03Å; F42-V48 HydrophobicContact CZ-CG2 4.35Å; F42-K116 HydrophobicContact CB-CD 4.06Å; F42-L149 HydrophobicContact CD2-CB 4.34Å; F42-L149 HydrophobicContact CD2-CD1 4.27Å; F42-L149 HydrophobicContact CD2-CD2 4.2Å; F42-L149 HydrophobicContact CE2-CD1 4.16Å; F42-L149 HydrophobicContact CE2-CD2 3.76Å; F42-L149 HydrophobicContact CE2-CG 4.44Å; F42-I150 PolarHBondContact N-O 3.45Å; F42-V151 HydrophobicContact CB-CG2 4.36Å; F42-V151 WeakPolarHBondContact O-CA 3.22Å; F42-H152 PolarHBondContact O-N 3Å
43Y97.3Very high95.6Very high36 Ų3652.9 Ų52.914%0.14128%0.28CS..  trans-119.7162.5169.5-61.7-76.2000109.8L41 E46 K116 H152 L154 L302L41-Y43 HydrophobicContact CD2-CE2 4.25Å; L41-Y43 WeakPolarHBondContact CD2-OH 3.29Å; L41-Y43 HydrophobicContact CG-CE2 4.36Å; Y43-E46 VanDerWaalsContact CD2-OE1 3.28Å; Y43-E46 WeakPolarHBondContact CD2-OE1 3.35Å; Y43-E46 WeakPolarHBondContact O-CB 3.34Å; Y43-E46 PolarHBondContact O-N 3.25Å; Y43-K116 PolarHBondContact O-NZ 2.93Å; Y43-H152 HydrophobicContact CD1-CB 4.2Å; Y43-H152 VanDerWaalsContact CD1-O 3.26Å; Y43-H152 WeakPolarHBondContact CD1-O 3.39Å; Y43-H152 HydrophobicContact CE1-CB 3.73Å; Y43-L154 HydrophobicContact CD1-CD1 3.82Å; Y43-L154 HydrophobicContact CD1-CD2 4.42Å; Y43-L154 HydrophobicContact CD1-CG 3.74Å; Y43-L154 HydrophobicContact CE1-CD1 3.5Å; Y43-L154 HydrophobicContact CE1-CD2 3.69Å; Y43-L154 HydrophobicContact CE1-CG 3.46Å; Y43-L154 VanDerWaalsContact CE1-CG 3.46Å; Y43-L302 HydrophobicContact CE2-CD1 4.2Å
44D96.2Very high96.1Very high93 Ų9348.2 Ų48.250%0.49725%0.254SS..THydrogen-bonded Turntrans-56.2140.6175.6-171.327.6000111.7E46 K116D44-E46 PolarHBondContact O-N 3.2Å; D44-K116 PolarHBondContact OD1-N 3.35Å
45G94.6Very high96.5Very high39 Ų3948.9 Ų48.940%0.40225%0.249SC..THydrogen-bonded Turntrans74-5.4-17700000116.2Q113 V114G45-Q113 WeakPolarHBondContact O-CA 3.37Å; G45-V114 WeakPolarHBondContact CA-O 3.47Å; G45-V114 PolarHBondContact N-O 3.02Å; G45-V114 VanDerWaalsContact N-O 3.13Å
46E97.2Very high96.3Very high58 Ų5843.7 Ų43.727%0.27123%0.228SC..  trans-68.3137.5172.8-71.3-168.1-164.900112.2R24 F42 Y43 D44 V114 K116R24-E46 IonicContact CZ-OE2 3.14Å; R24-E46 IonicContact NH1-OE2 3.68Å; R24-E46 PolarHBondContact NH1-OE2 3.22Å; R24-E46 IonicContact NH2-OE2 2.69Å; F42-E46 HydrophobicContact CD1-CB 4.15Å; Y43-E46 VanDerWaalsContact CD2-OE1 3.28Å; Y43-E46 WeakPolarHBondContact CD2-OE1 3.35Å; Y43-E46 WeakPolarHBondContact O-CB 3.34Å; Y43-E46 PolarHBondContact O-N 3.25Å; D44-E46 PolarHBondContact O-N 3.2Å; E46-V114 PolarHBondContact O-N 2.91Å; E46-K116 PolarHBondContact O-NZ 2.69Å
47S97.9Very high95.6Very high44 Ų4444.4 Ų44.431%0.30822%0.224SC..  trans-68.3147.7167.7-58.10000111.1F111 M112 Q113S47-F111 CarbonylContact C-O 3.24Å; S47-F111 WeakPolarHBondContact CA-O 3.21Å; S47-F111 WeakPolarHBondContact CB-O 3.45Å; S47-M112 WeakPolarHBondContact OG-CA 3.27Å; S47-Q113 PolarHBondContact OG-N 2.95Å; S47-Q113 VanDerWaalsContact OG-N 3.13Å
48V98.4Very high94.4Very high0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-117.5111.9174.9-169.10000107.8L18 F42 F72 F109 F111 V114 L132 L149L18-V48 HydrophobicContact CD2-CG1 4.27Å; F42-V48 HydrophobicContact CD1-CG2 3.98Å; F42-V48 HydrophobicContact CE1-CB 4.21Å; F42-V48 HydrophobicContact CE1-CG1 4.11Å; F42-V48 HydrophobicContact CE1-CG2 3.67Å; F42-V48 HydrophobicContact CZ-CG1 4.03Å; F42-V48 HydrophobicContact CZ-CG2 4.35Å; V48-F72 HydrophobicContact CB-CD2 4.36Å; V48-F72 HydrophobicContact CG1-CD2 4.39Å; V48-F72 HydrophobicContact CG2-CD2 3.92Å; V48-F72 HydrophobicContact CG2-CE2 3.76Å; V48-F109 HydrophobicContact CG1-CE2 4.33Å; V48-F111 PolarHBondContact N-O 3.06Å; V48-F111 PolarHBondContact O-N 2.81Å; V48-V114 HydrophobicContact CG2-CB 4.42Å; V48-V114 HydrophobicContact CG2-CG2 4.07Å; V48-L132 HydrophobicContact CG1-CD1 4.13Å; V48-L132 HydrophobicContact CG1-CD2 4.07Å; V48-L132 HydrophobicContact CG1-CG 4.47Å; V48-L149 HydrophobicContact CG1-CD1 4.44Å
49S98.5Very high92.5Very high24 Ų2441.2 Ų41.217%0.16823%0.234CC..EExtended strand (participates in β ladder)trans-138.5152.7-176.865.10000111.8N19 F109N19-S49 PolarHBondContact N-O 2.83Å; N19-S49 WeakPolarHBondContact ND2-CB 2.79Å; N19-S49 PolarHBondContact ND2-OG 3.29Å; S49-F109 WeakPolarHBondContact CA-O 3.45Å; S49-F109 WeakPolarHBondContact CB-O 3.34Å
50G98.5Very high90.6Very high0 Ų043.3 Ų43.30%027%0.267CS..EExtended strand (participates in β ladder)trans174.5-160.7-175.500000112.4V17 N19 F109V17-G50 CarbonylContact O-C 3.58Å; V17-G50 WeakPolarHBondContact O-CA 3.4Å; N19-G50 PolarHBondContact ND2-N 3.36Å; N19-G50 WeakPolarHBondContact OD1-CA 3.17Å; G50-F109 VanDerWaalsContact CA-CE1 3.46Å; G50-F109 PolarHBondContact N-O 2.96Å; G50-F109 VanDerWaalsContact O-CD1 3.22Å; G50-F109 WeakPolarHBondContact O-CD1 3.23Å; G50-F109 PolarHBondContact O-N 2.75Å
51K98.5Very high89.3Confident83 Ų8345.6 Ų45.636%0.36128%0.278SS..EExtended strand (participates in β ladder)trans-131.7130.5-178.5-174.4171.6-78.1179.50110.2V17 N53 Y107 D108V17-K51 PolarHBondContact N-O 2.84Å; V17-K51 PolarHBondContact O-N 2.77Å; K51-N53 WeakPolarHBondContact CG-OD1 3.34Å; K51-Y107 CarbonylContact C-O 3.4Å; K51-Y107 WeakPolarHBondContact CA-O 3.41Å; K51-D108 WeakPolarHBondContact CE-OD1 3.45Å; K51-D108 IonicContact NZ-OD1 3.85Å
52V98.6Very high88.7Confident0 Ų051.6 Ų51.60%030%0.3CS..EExtended strand (participates in β ladder)trans-89.5119.5168.3-179.50000107.9I14 D15 V16 L54 I70 L95 S106 Y107 F109 V134I14-V52 HydrophobicContact CG2-CG1 4.29Å; D15-V52 CarbonylContact O-C 3.58Å; D15-V52 WeakPolarHBondContact O-CA 3.42Å; V16-V52 HydrophobicContact CG2-CG2 4.29Å; V52-L54 HydrophobicContact CG1-CD2 3.79Å; V52-L54 HydrophobicContact CG1-CG 4.34Å; V52-I70 HydrophobicContact CG2-CB 4.41Å; V52-I70 HydrophobicContact CG2-CD1 3.73Å; V52-L95 HydrophobicContact CB-CD1 4.02Å; V52-L95 HydrophobicContact CG1-CD1 4.39Å; V52-L95 HydrophobicContact CG2-CD1 3.66Å; V52-S106 CarbonylContact O-C 3.57Å; V52-S106 WeakPolarHBondContact O-CA 3.34Å; V52-Y107 PolarHBondContact N-O 2.96Å; V52-Y107 PolarHBondContact O-N 2.76Å; V52-F109 HydrophobicContact CG2-CD1 3.93Å; V52-F109 HydrophobicContact CG2-CE1 4.27Å; V52-V134 HydrophobicContact CG1-CG1 3.78Å; V52-V134 HydrophobicContact CG1-CG2 4.01Å; V52-V134 HydrophobicContact CG2-CG2 3.84Å
53N98.1Very high88.4Confident31 Ų3151.7 Ų51.717%0.16630%0.301CS..EExtended strand (participates in β ladder)trans-104.7124.8177.1-58.8-51.1000109.7D15 K51 S106D15-N53 HydrophobicContact CB-CB 4.25Å; D15-N53 PolarHBondContact N-O 3.42Å; D15-N53 PolarHBondContact O-N 2.83Å; K51-N53 WeakPolarHBondContact CG-OD1 3.34Å; N53-S106 WeakPolarHBondContact OD1-CB 3.42Å; N53-S106 PolarHBondContact OD1-OG 3Å
54L95.9Very high88.2Confident1 Ų154.6 Ų54.61%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-111.9113.8178.6-56.6-172.6000109.5I14 V52 I68 L101 N104 R105 Y107 I136I14-L54 HydrophobicContact CB-CD2 4.25Å; I14-L54 HydrophobicContact CG1-CD2 3.88Å; I14-L54 HydrophobicContact CG2-CD2 4.03Å; V52-L54 HydrophobicContact CG1-CD2 3.79Å; V52-L54 HydrophobicContact CG1-CG 4.34Å; L54-I68 HydrophobicContact CD1-CD1 3.7Å; L54-I68 HydrophobicContact CD1-CG2 4.34Å; L54-L101 HydrophobicContact CD1-CD1 3.61Å; L54-N104 WeakPolarHBondContact O-CA 3.29Å; L54-R105 WeakPolarHBondContact CB-O 3.29Å; L54-R105 PolarHBondContact N-O 2.83Å; L54-R105 PolarHBondContact O-N 2.88Å; L54-R105 VanDerWaalsContact O-N 3.07Å; L54-Y107 HydrophobicContact CD1-CD2 4.29Å; L54-Y107 HydrophobicContact CD1-CE2 3.82Å; L54-I136 HydrophobicContact CD1-CD1 3.98Å; L54-I136 HydrophobicContact CD2-CD1 3.95Å
55N92.1Very high88.2Confident54 Ų5450.5 Ų50.529%0.28929%0.293SS..EExtended strand (participates in β ladder)trans-103.8106.3-179.2-66.5-42.4000110.4C12 E13 K57 N104C12-N55 CarbonylContact C-O 3.51Å; C12-N55 VanDerWaalsContact CA-O 3.31Å; C12-N55 WeakPolarHBondContact CA-O 3.44Å; E13-N55 HydrophobicContact CB-CB 4.25Å; E13-N55 PolarHBondContact N-O 3.14Å; E13-N55 PolarHBondContact O-N 3.47Å; N55-K57 PolarHBondContact O-N 3.42Å; N55-N104 WeakPolarHBondContact CA-OD1 3.15Å; N55-N104 PolarHBondContact OD1-ND2 3.25Å
56V87.9Confident88.4Confident20 Ų2054.2 Ų54.212%0.12130%0.3CS..EExtended strand (participates in β ladder)trans-83.2104.6-178.8-176.10000108.9L101 N104V56-L101 HydrophobicContact CG2-CB 4.25Å; V56-N104 PolarHBondContact N-OD1 2.8Å
57K77.2Confident88.4Confident106 Ų10651.7 Ų51.746%0.46129%0.29SS..  trans-81.9-21.7-168.5-70.5-168.5174.1175.90114.9V11 E13 N55 G59V11-K57 PolarHBondContact O-N 3.38Å; E13-K57 HydrophobicContact CB-CD 4.5Å; E13-K57 IonicContact OE1-NZ 3.06Å; E13-K57 PolarHBondContact OE1-NZ 3.3Å; E13-K57 WeakPolarHBondContact OE2-CE 3.5Å; E13-K57 IonicContact OE2-NZ 3.43Å; E13-K57 PolarHBondContact OE2-NZ 3.43Å; N55-K57 PolarHBondContact O-N 3.42Å; K57-G59 PolarHBondContact O-N 2.84Å
58Q68.9Low88.4Confident53 Ų5349.6 Ų49.625%0.24828%0.276CS..SBendtrans-91.793.4-179.4-68.8-170.719.200110G60 K61Q58-G60 PolarHBondContact O-N 2.88Å; Q58-K61 HydrophobicContact CB-CB 4.08Å; Q58-K61 HydrophobicContact CB-CG 4.37Å; Q58-K61 PolarHBondContact O-N 2.89Å; Q58-K61 VanDerWaalsContact OE1-CE 3.31Å
59G54.7Low88.4Confident88 Ų8853.6 Ų53.691%0.90729%0.29SS*.THydrogen-bonded Turntrans-47.7106.4174.600000111.5K57K57-G59 PolarHBondContact O-N 2.84Å
60G58.4Low88.5Confident84 Ų8452.4 Ų52.487%0.86628%0.282SS*.THydrogen-bonded Turntrans101.7-7.9178.500000116.8Q58Q58-G60 PolarHBondContact O-N 2.88Å
61K71.4Confident88.5Confident129 Ų12952.7 Ų52.756%0.56128%0.284SS*.  trans-98.3122.7173.8-66.6-159.6-161.8154.30111.6Q58Q58-K61 HydrophobicContact CB-CB 4.08Å; Q58-K61 HydrophobicContact CB-CG 4.37Å; Q58-K61 PolarHBondContact O-N 2.89Å; Q58-K61 VanDerWaalsContact OE1-CE 3.31Å
62R85Confident88.5Confident140 Ų14048.8 Ų48.853%0.52827%0.267SS..  trans-65.3140.1169.663.5-179.1-171.2-1752111.1E64 E100 T102R62-E64 IonicContact CZ-OE1 3.53Å; R62-E64 IonicContact NE-OE1 2.81Å; R62-E64 PolarHBondContact NE-OE1 3.33Å; R62-E64 IonicContact NH2-OE1 2.95Å; R62-E64 PolarHBondContact NH2-OE1 2.9Å; R62-E100 VanDerWaalsContact CD-OE2 3.29Å; R62-E100 WeakPolarHBondContact CD-OE2 3.39Å; R62-E100 IonicContact CZ-OE1 3.59Å; R62-E100 IonicContact NE-OE1 3.5Å; R62-E100 IonicContact NH1-OE1 2.8Å; R62-E100 PolarHBondContact NH1-OE1 2.96Å; R62-E100 IonicContact NH1-OE2 2.69Å; R62-T102 HydrophobicContact CB-CG2 4.34Å
63L90.7Very high88.5Confident3 Ų348.8 Ų48.82%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-101.5100.7167.6173.563.7000108.8V11 C12 E100 L101 I136 L143V11-L63 HydrophobicContact CG1-CD1 4.14Å; C12-L63 HydrophobicContact CB-CD2 3.68Å; L63-E100 WeakPolarHBondContact O-CA 3.4Å; L63-L101 HydrophobicContact CB-CB 4.24Å; L63-L101 HydrophobicContact CD2-CD1 4.28Å; L63-L101 PolarHBondContact N-O 2.84Å; L63-L101 PolarHBondContact O-N 2.76Å; L63-I136 HydrophobicContact CD2-CD1 4.38Å; L63-I136 HydrophobicContact CD2-CG2 4.37Å; L63-L143 HydrophobicContact CD2-CD1 4.4Å
64E93.8Very high88.5Confident97 Ų9747.3 Ų47.345%0.45326%0.259SS..EExtended strand (participates in β ladder)trans-71.9131.2169.1-69.4171.3-15200110R62 E100R62-E64 IonicContact CZ-OE1 3.53Å; R62-E64 IonicContact NE-OE1 2.81Å; R62-E64 PolarHBondContact NE-OE1 3.33Å; R62-E64 IonicContact NH2-OE1 2.95Å; R62-E64 PolarHBondContact NH2-OE1 2.9Å; E64-E100 HydrophobicContact CG-CG 3.94Å
65H96.3Very high88.6Confident7 Ų747.8 Ų47.83%0.03226%0.261CS..EExtended strand (participates in β ladder)trans-139.2154.6178.565.887.5000111.8G67 L97 P98 G99 I136 V137H65-G67 PolarHBondContact ND1-N 3.06Å; H65-L97 PolarHBondContact CE1-O 3.48Å; H65-P98 WeakPolarHBondContact O-CA 3.37Å; H65-G99 PolarHBondContact CD2-O 3.13Å; H65-G99 PolarHBondContact N-O 2.91Å; H65-G99 PolarHBondContact O-N 2.89Å; H65-I136 HydrophobicContact CB-CG2 3.65Å; H65-V137 CarbonylContact C-O 3.54Å; H65-V137 WeakPolarHBondContact CA-O 3.26Å; H65-V137 WeakPolarHBondContact CB-O 3.31Å
66Q97.7Very high88.8Confident116 Ų11645.2 Ų45.254%0.54225%0.247SC..SBendtrans-100.712177.6-59.8-58.2-36.200112.8P98 V137Q66-P98 WeakPolarHBondContact O-CG 3.35Å; Q66-V137 HydrophobicContact CB-CB 4.22Å; Q66-V137 HydrophobicContact CB-CG1 3.95Å; Q66-V137 PolarHBondContact N-O 2.85Å
67G97.9Very high89.1Confident6 Ų645.9 Ų45.96%0.06225%0.249CC..EExtended strand (participates in β ladder)trans147.5155.2178.300000110.3H65 A96 V137H65-G67 PolarHBondContact ND1-N 3.06Å; G67-A96 WeakPolarHBondContact CA-O 3.37Å; G67-V137 PolarHBondContact O-N 3.09Å
68I98.6Very high89.8Confident0 Ų041.5 Ų41.50%023%0.23CC..EExtended strand (participates in β ladder)trans-130.9126.8172.8-52.7177.9000106.3L54 L95 A96 L101 Y107 T135 I136L54-I68 HydrophobicContact CD1-CD1 3.7Å; L54-I68 HydrophobicContact CD1-CG2 4.34Å; I68-L95 HydrophobicContact CB-CB 4.37Å; I68-L95 HydrophobicContact CG2-CB 4.19Å; I68-L95 HydrophobicContact CG2-CD1 4.25Å; I68-L95 WeakPolarHBondContact O-CA 3.19Å; I68-L95 WeakPolarHBondContact O-CB 3.48Å; I68-L95 PolarHBondContact O-N 3.18Å; I68-A96 HydrophobicContact CB-CB 4.01Å; I68-A96 HydrophobicContact CD1-CB 3.98Å; I68-A96 HydrophobicContact CG1-CB 4.04Å; I68-A96 PolarHBondContact N-O 2.82Å; I68-A96 PolarHBondContact O-N 2.81Å; I68-A96 VanDerWaalsContact O-N 3.08Å; I68-L101 HydrophobicContact CD1-CD1 3.78Å; I68-L101 HydrophobicContact CD1-CG 4.45Å; I68-Y107 HydrophobicContact CD1-CE2 3.96Å; I68-T135 WeakPolarHBondContact CA-O 3.43Å; I68-I136 HydrophobicContact CG1-CG1 4.37Å; I68-I136 HydrophobicContact CG1-CG2 4.29Å; I68-I136 HydrophobicContact CG2-CG1 4.18Å
69R98.7Very high90.7Very high83 Ų8341.7 Ų41.731%0.31323%0.231SC..EExtended strand (participates in β ladder)trans-136.5159.617867.8-175.6-171.9-147.31.1111.4E71 V92 K93 V134 T135R69-E71 HydrophobicContact CG-CG 4.44Å; R69-E71 IonicContact CZ-OE2 3.69Å; R69-E71 IonicContact NE-OE2 2.79Å; R69-E71 PolarHBondContact NE-OE2 2.9Å; R69-E71 IonicContact NH2-OE2 3.07Å; R69-E71 PolarHBondContact NH2-OE2 3.31Å; R69-V92 HydrophobicContact CB-CG1 4.29Å; R69-K93 WeakPolarHBondContact CA-O 3.13Å; R69-V134 WeakPolarHBondContact O-CA 3.5Å; R69-T135 PolarHBondContact N-O 3.46Å; R69-T135 PolarHBondContact O-N 3.06Å
70I98.8Very high92Very high0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-122.4141.1166.8-176.1165.9000108.9V52 K93 L95 F109 F111 L132 R133 V134V52-I70 HydrophobicContact CG2-CB 4.41Å; V52-I70 HydrophobicContact CG2-CD1 3.73Å; I70-K93 HydrophobicContact CG2-CB 3.98Å; I70-K93 PolarHBondContact N-O 3.17Å; I70-K93 PolarHBondContact O-N 2.72Å; I70-L95 HydrophobicContact CB-CD1 3.98Å; I70-L95 HydrophobicContact CG2-CD1 3.88Å; I70-L95 HydrophobicContact CG2-CD2 3.83Å; I70-L95 HydrophobicContact CG2-CG 3.99Å; I70-F109 HydrophobicContact CD1-CD1 3.68Å; I70-F109 HydrophobicContact CD1-CD2 3.91Å; I70-F109 HydrophobicContact CD1-CE1 3.68Å; I70-F109 HydrophobicContact CD1-CE2 3.92Å; I70-F109 HydrophobicContact CD1-CG 3.8Å; I70-F109 HydrophobicContact CD1-CZ 3.81Å; I70-F109 HydrophobicContact CG2-CB 3.75Å; I70-F109 HydrophobicContact CG2-CD2 4.49Å; I70-F109 HydrophobicContact CG2-CG 4.09Å; I70-F111 HydrophobicContact CG1-CE2 4.4Å; I70-F111 HydrophobicContact CG2-CE2 4.32Å; I70-F111 HydrophobicContact CG2-CZ 4.11Å; I70-L132 HydrophobicContact CD1-CB 4.29Å; I70-L132 HydrophobicContact CD1-CD1 4.47Å; I70-L132 HydrophobicContact CD1-CD2 4.22Å; I70-L132 HydrophobicContact CG1-CD2 4.44Å; I70-R133 CarbonylContact C-O 3.49Å; I70-R133 WeakPolarHBondContact CA-O 3.42Å; I70-V134 HydrophobicContact CB-CG2 4.3Å; I70-V134 HydrophobicContact CD1-CG2 3.96Å; I70-V134 HydrophobicContact CG1-CG2 4.02Å
71E98.8Very high92.7Very high6 Ų641.5 Ų41.53%0.02820%0.197CC..EExtended strand (participates in β ladder)trans-124.3134.3-176.8-56.5162.45600107.8R69 V73 L91 V92 L132 R133 T135R69-E71 HydrophobicContact CG-CG 4.44Å; R69-E71 IonicContact CZ-OE2 3.69Å; R69-E71 IonicContact NE-OE2 2.79Å; R69-E71 PolarHBondContact NE-OE2 2.9Å; R69-E71 IonicContact NH2-OE2 3.07Å; R69-E71 PolarHBondContact NH2-OE2 3.31Å; E71-V73 HydrophobicContact CB-CG2 3.98Å; E71-L91 CarbonylContact C-O 3.58Å; E71-L91 WeakPolarHBondContact CA-O 3.24Å; E71-V92 HydrophobicContact CG-CG1 4.22Å; E71-V92 HydrophobicContact CG-CG2 4.13Å; E71-L132 CarbonylContact O-C 3.56Å; E71-L132 VanDerWaalsContact O-CA 3.26Å; E71-L132 WeakPolarHBondContact O-CA 3.44Å; E71-R133 HydrophobicContact CB-CB 4.25Å; E71-R133 PolarHBondContact N-O 2.69Å; E71-R133 PolarHBondContact O-N 3.06Å; E71-R133 IonicContact OE1-CZ 3.66Å; E71-R133 VanDerWaalsContact OE1-CZ 3.3Å; E71-R133 IonicContact OE1-NE 2.72Å; E71-R133 PolarHBondContact OE1-NE 3.22Å; E71-R133 IonicContact OE1-NH2 2.9Å; E71-R133 PolarHBondContact OE1-NH2 2.85Å; E71-R133 IonicContact OE2-NE 3.03Å; E71-T135 PolarHBondContact OE2-OG1 3.23Å; E71-T135 VanDerWaalsContact OE2-OG1 3.09Å
72F98.8Very high92.4Very high1 Ų144.5 Ų44.50%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-98.1118.3162.5177-81.1000107.6V48 V89 D90 L91 F111 V114 K116 Y130 L132 L149V48-F72 HydrophobicContact CB-CD2 4.36Å; V48-F72 HydrophobicContact CG1-CD2 4.39Å; V48-F72 HydrophobicContact CG2-CD2 3.92Å; V48-F72 HydrophobicContact CG2-CE2 3.76Å; F72-V89 HydrophobicContact CD1-CG1 3.83Å; F72-V89 HydrophobicContact CE1-CG1 3.95Å; F72-D90 WeakPolarHBondContact O-CA 3.33Å; F72-L91 HydrophobicContact CB-CB 4.3Å; F72-L91 PolarHBondContact N-O 2.75Å; F72-L91 PolarHBondContact O-N 2.95Å; F72-F111 HydrophobicContact CB-CD2 3.98Å; F72-F111 HydrophobicContact CB-CE2 3.96Å; F72-F111 HydrophobicContact CB-CG 4.33Å; F72-F111 HydrophobicContact CB-CZ 4.28Å; F72-V114 HydrophobicContact CD1-CG1 3.56Å; F72-V114 HydrophobicContact CD2-CG1 4.47Å; F72-V114 HydrophobicContact CE1-CG1 3.33Å; F72-V114 HydrophobicContact CE2-CG1 4.27Å; F72-V114 HydrophobicContact CG-CG1 4.16Å; F72-V114 HydrophobicContact CZ-CG1 3.72Å; F72-K116 HydrophobicContact CE1-CG 4.48Å; F72-K116 HydrophobicContact CZ-CD 4.06Å; F72-K116 HydrophobicContact CZ-CG 4.03Å; F72-Y130 AromaticContact CE1-CD1 3.89Å; F72-Y130 HydrophobicContact CE1-CD1 3.89Å; F72-Y130 HydrophobicContact CE1-CE1 4.49Å; F72-Y130 AromaticContact CZ-CD1 3.72Å; F72-Y130 HydrophobicContact CZ-CD1 3.72Å; F72-Y130 HydrophobicContact CZ-CG 4.42Å; F72-L132 HydrophobicContact CB-CD2 4.07Å; F72-L132 HydrophobicContact CD2-CD2 3.96Å; F72-L149 HydrophobicContact CD2-CD1 4.21Å; F72-L149 HydrophobicContact CE2-CD1 3.73Å
73V98.7Very high91.8Very high0 Ų042.8 Ų42.80%022%0.219CC..EExtended strand (participates in β ladder)trans-120.8131.9-173.5-174.90000109.4E71 Q75 E87 V89 Y130 F131E71-V73 HydrophobicContact CB-CG2 3.98Å; V73-Q75 HydrophobicContact CG1-CB 4.31Å; V73-E87 HydrophobicContact CG1-CG 3.89Å; V73-V89 CarbonylContact C-O 3.56Å; V73-V89 WeakPolarHBondContact CA-O 3.28Å; V73-Y130 CarbonylContact O-C 3.59Å; V73-Y130 VanDerWaalsContact O-CA 3.23Å; V73-Y130 WeakPolarHBondContact O-CA 2.93Å; V73-F131 HydrophobicContact CB-CD2 4.26Å; V73-F131 HydrophobicContact CB-CE1 4.06Å; V73-F131 HydrophobicContact CB-CE2 3.77Å; V73-F131 HydrophobicContact CB-CZ 3.65Å; V73-F131 HydrophobicContact CG1-CE1 3.99Å; V73-F131 HydrophobicContact CG1-CE2 4.23Å; V73-F131 HydrophobicContact CG1-CZ 3.63Å; V73-F131 HydrophobicContact CG2-CE2 3.97Å; V73-F131 HydrophobicContact CG2-CZ 4.22Å; V73-F131 PolarHBondContact N-O 3.31Å; V73-F131 PolarHBondContact O-N 3.23Å
74G98.4Very high91Very high0 Ų045.3 Ų45.30%023%0.233CC..EExtended strand (participates in β ladder)trans-117.8120.6164.800000108.7E87 F88 V89 R129G74-E87 WeakPolarHBondContact O-CA 3.45Å; G74-F88 WeakPolarHBondContact O-CD1 2.79Å; G74-F88 WeakPolarHBondContact O-CE1 2.88Å; G74-F88 PolarHBondContact O-N 2.89Å; G74-V89 PolarHBondContact N-O 3.23Å; G74-V89 PolarHBondContact O-N 3.23Å; G74-R129 WeakPolarHBondContact CA-O 3.26Å
75Q97.6Very high90.9Very high11 Ų1143.5 Ų43.55%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-140.4156.4-175.476.1-171.520.600113.9V73 E77 T85 H86 E87 F88 L128 R129 F131V73-Q75 HydrophobicContact CG1-CB 4.31Å; Q75-E77 HydrophobicContact CG-CG 4.31Å; Q75-E77 PolarHBondContact NE2-OE1 3.25Å; Q75-T85 HydrophobicContact CB-CG2 3.93Å; Q75-T85 HydrophobicContact CG-CG2 3.87Å; Q75-H86 CarbonylContact C-O 3.46Å; Q75-H86 VanDerWaalsContact CA-O 3.26Å; Q75-H86 WeakPolarHBondContact CA-O 3.3Å; Q75-E87 HydrophobicContact CB-CG 4Å; Q75-F88 VanDerWaalsContact C-CE1 3.47Å; Q75-F88 VanDerWaalsContact N-CE1 3.29Å; Q75-L128 WeakPolarHBondContact O-CA 3.35Å; Q75-R129 HydrophobicContact CG-CG 4.13Å; Q75-R129 PolarHBondContact N-O 2.82Å; Q75-R129 PolarHBondContact O-N 2.89Å; Q75-F131 HydrophobicContact CG-CE1 3.99Å
76I96.7Very high90.7Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-111.7122.9171.5-59.4171.5000108L78 H86 F88 V126 R127 L128 V264 N265 K267 F268I76-L78 HydrophobicContact CG2-CD2 4.32Å; I76-H86 PolarHBondContact N-O 3.31Å; I76-H86 PolarHBondContact O-N 2.96Å; I76-F88 HydrophobicContact CD1-CD1 4.23Å; I76-F88 HydrophobicContact CD1-CE1 4.43Å; I76-F88 HydrophobicContact CG1-CD1 3.88Å; I76-F88 HydrophobicContact CG1-CE1 3.79Å; I76-V126 HydrophobicContact CG2-CG2 3.56Å; I76-R127 CarbonylContact C-O 3.56Å; I76-R127 WeakPolarHBondContact CA-O 3.46Å; I76-L128 HydrophobicContact CD1-CD1 4.25Å; I76-L128 HydrophobicContact CG1-CB 4.41Å; I76-L128 HydrophobicContact CG1-CD1 3.97Å; I76-L128 HydrophobicContact CG1-CG 4.01Å; I76-V264 HydrophobicContact CD1-CG1 4.11Å; I76-N265 HydrophobicContact CD1-CB 3.66Å; I76-K267 HydrophobicContact CD1-CB 4.21Å; I76-K267 HydrophobicContact CD1-CG 4.13Å; I76-K267 HydrophobicContact CG2-CB 4.3Å; I76-F268 HydrophobicContact CD1-CD1 4.44Å; I76-F268 HydrophobicContact CD1-CE1 4.1Å; I76-F268 HydrophobicContact CG1-CE1 4.4Å; I76-F268 HydrophobicContact CG2-CD1 4.24Å; I76-F268 HydrophobicContact CG2-CE1 4.28Å
77E94.3Very high90.7Very high34 Ų3443.8 Ų43.816%0.15923%0.23CC..EExtended strand (participates in β ladder)trans-105.5123.7175.5-60.5168-174.600108.4Q75 T85 V126 R127 R129Q75-E77 HydrophobicContact CG-CG 4.31Å; Q75-E77 PolarHBondContact NE2-OE1 3.25Å; E77-T85 HydrophobicContact CG-CG2 4.22Å; E77-V126 CarbonylContact O-C 3.48Å; E77-V126 VanDerWaalsContact O-CA 3.3Å; E77-V126 WeakPolarHBondContact O-CA 3.28Å; E77-R127 HydrophobicContact CB-CB 4.3Å; E77-R127 PolarHBondContact N-O 2.82Å; E77-R127 PolarHBondContact O-N 2.82Å; E77-R129 VanDerWaalsContact OE1-CD 3.3Å; E77-R129 WeakPolarHBondContact OE1-CD 3.45Å; E77-R129 IonicContact OE1-NH1 3.98Å; E77-R129 PolarHBondContact OE1-NH1 2.9Å
78L91.4Very high90.6Very high13 Ų1345.5 Ų45.57%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-101.1120.8174-62.3175.4000109.2I76 S80 D81 V126I76-L78 HydrophobicContact CG2-CD2 4.32Å; L78-S80 VanDerWaalsContact C-N 3.27Å; L78-S80 PolarHBondContact O-N 3.46Å; L78-D81 CarbonylContact O-C 3.57Å; L78-D81 VanDerWaalsContact O-C 3.24Å; L78-D81 PolarHBondContact O-N 3.08Å; L78-D81 VanDerWaalsContact O-N 3.16Å; L78-V126 HydrophobicContact CD2-CB 4.05Å; L78-V126 HydrophobicContact CD2-CG2 3.78Å
79F87.8Confident90.5Very high57 Ų5746.3 Ų46.325%0.2524%0.24CC..THydrogen-bonded Turntrans-72.7-21.7-172.2-55.7-25000113.9E32 D81 A124 N125 R127E32-F79 HydrophobicContact CG-CE2 4.09Å; E32-F79 HydrophobicContact CG-CZ 3.87Å; E32-F79 VanDerWaalsContact OE1-CE1 3.31Å; E32-F79 WeakPolarHBondContact OE1-CE1 3.31Å; E32-F79 WeakPolarHBondContact OE1-CZ 3.47Å; F79-D81 PolarHBondContact O-N 2.74Å; F79-A124 WeakPolarHBondContact CD2-O 3.5Å; F79-N125 PolarHBondContact N-O 2.92Å; F79-R127 HydrophobicContact CE1-CB 3.83Å; F79-R127 HydrophobicContact CZ-CB 3.84Å
80S81.8Confident90.5Very high101 Ų10145.9 Ų45.971%0.70625%0.245SC*.THydrogen-bonded Turntrans-61.2-24.7173.258.40000112.7L78L78-S80 VanDerWaalsContact C-N 3.27Å; L78-S80 PolarHBondContact O-N 3.46Å
81D73.8Confident90.5Very high68 Ų6849 Ų4936%0.36426%0.261SS..  trans-146.696177.5-174.8-5.1000110L78 F79 S83 N84L78-D81 CarbonylContact O-C 3.57Å; L78-D81 VanDerWaalsContact O-C 3.24Å; L78-D81 PolarHBondContact O-N 3.08Å; L78-D81 VanDerWaalsContact O-N 3.16Å; F79-D81 PolarHBondContact O-N 2.74Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 WeakPolarHBondContact OD1-CB 3.22Å; D81-S83 PolarHBondContact OD1-N 3.42Å; D81-S83 PolarHBondContact OD1-OG 2.96Å; D81-S83 PolarHBondContact OD2-OG 3.38Å; D81-N84 HydrophobicContact CB-CB 3.71Å; D81-N84 WeakPolarHBondContact O-CA 3.34Å; D81-N84 WeakPolarHBondContact O-CB 3.19Å; D81-N84 PolarHBondContact O-N 2.93Å
82K65.1Low90.5Very high191 Ų19152.3 Ų52.383%0.8328%0.281SS*.THydrogen-bonded Turntrans-61.8-14.2179.5-67.9-172.1176.7-174.10114N84K82-N84 VanDerWaalsContact C-N 3.27Å
83S71.9Confident90.5Very high104 Ų10455.7 Ų55.773%0.72730%0.296SS*.THydrogen-bonded Turntrans-82.5-8.5171.774.20000112.9D81 T85D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 WeakPolarHBondContact OD1-CB 3.22Å; D81-S83 PolarHBondContact OD1-N 3.42Å; D81-S83 PolarHBondContact OD1-OG 2.96Å; D81-S83 PolarHBondContact OD2-OG 3.38Å; S83-T85 PolarHBondContact O-N 3.34Å
84N75.1Confident90.4Very high56 Ų5661.1 Ų61.130%0.29932%0.321SS..  trans-103.255.7-170.7-153.216.7000111.9D81 K82 H86D81-N84 HydrophobicContact CB-CB 3.71Å; D81-N84 WeakPolarHBondContact O-CA 3.34Å; D81-N84 WeakPolarHBondContact O-CB 3.19Å; D81-N84 PolarHBondContact O-N 2.93Å; K82-N84 VanDerWaalsContact C-N 3.27Å; N84-H86 PolarHBondContact OD1-CE1 3.41Å; N84-H86 PolarHBondContact OD1-NE2 2.87Å
85T91.1Very high90.4Very high59 Ų5962.2 Ų62.236%0.36233%0.327SS..EExtended strand (participates in β ladder)trans-81132.6167.5-59.30000109.2Q75 E77 S83Q75-T85 HydrophobicContact CB-CG2 3.93Å; Q75-T85 HydrophobicContact CG-CG2 3.87Å; E77-T85 HydrophobicContact CG-CG2 4.22Å; S83-T85 PolarHBondContact O-N 3.34Å
86H92.7Very high90.5Very high40 Ų4062.5 Ų62.519%0.18533%0.331CS..EExtended strand (participates in β ladder)trans-118.899.9179.1-62.6-59.5000110.5Q75 I76 N84 F88 K267Q75-H86 CarbonylContact C-O 3.46Å; Q75-H86 VanDerWaalsContact CA-O 3.26Å; Q75-H86 WeakPolarHBondContact CA-O 3.3Å; I76-H86 PolarHBondContact N-O 3.31Å; I76-H86 PolarHBondContact O-N 2.96Å; N84-H86 PolarHBondContact OD1-CE1 3.41Å; N84-H86 PolarHBondContact OD1-NE2 2.87Å; H86-F88 PolarHBondContact O-N 3.32Å; H86-K267 WeakPolarHBondContact CD2-CE 3.48Å; H86-K267 PolarHBondContact CD2-NZ 2.89Å; H86-K267 PolarHBondContact CE1-NZ 2.83Å; H86-K267 WeakPolarHBondContact NE2-CE 3.49Å; H86-K267 PolarHBondContact NE2-NZ 2.81Å
87E96.1Very high90.6Very high89 Ų8969.5 Ų69.542%0.41637%0.368SS..EExtended strand (participates in β ladder)trans-70.4125.3169.2-64.2178.6166.100108.9V73 G74 Q75 R133V73-E87 HydrophobicContact CG1-CG 3.89Å; G74-E87 WeakPolarHBondContact O-CA 3.45Å; Q75-E87 HydrophobicContact CB-CG 4Å; E87-R133 IonicContact OE1-NH1 3.96Å; E87-R133 IonicContact OE1-NH2 2.82Å; E87-R133 PolarHBondContact OE1-NH2 2.94Å
88F96.6Very high90.7Very high43 Ų4371.7 Ų71.719%0.18939%0.385CS..EExtended strand (participates in β ladder)trans-112.8-12.4175.359.6-95.5000112G74 Q75 I76 H86 P117 Y118 L128 Y130G74-F88 WeakPolarHBondContact O-CD1 2.79Å; G74-F88 WeakPolarHBondContact O-CE1 2.88Å; G74-F88 PolarHBondContact O-N 2.89Å; Q75-F88 VanDerWaalsContact C-CE1 3.47Å; Q75-F88 VanDerWaalsContact N-CE1 3.29Å; I76-F88 HydrophobicContact CD1-CD1 4.23Å; I76-F88 HydrophobicContact CD1-CE1 4.43Å; I76-F88 HydrophobicContact CG1-CD1 3.88Å; I76-F88 HydrophobicContact CG1-CE1 3.79Å; H86-F88 PolarHBondContact O-N 3.32Å; F88-P117 HydrophobicContact CD2-CG 4.23Å; F88-P117 HydrophobicContact CE2-CG 4.33Å; F88-Y118 HydrophobicContact CD1-CD2 4.46Å; F88-Y118 AromaticContact CD2-CD2 3.87Å; F88-Y118 HydrophobicContact CD2-CD2 3.87Å; F88-Y118 AromaticContact CD2-CE2 3.94Å; F88-Y118 HydrophobicContact CD2-CE2 3.94Å; F88-Y118 HydrophobicContact CE1-CD2 4.28Å; F88-Y118 AromaticContact CE2-CD2 3.73Å; F88-Y118 HydrophobicContact CE2-CD2 3.73Å; F88-Y118 HydrophobicContact CE2-CE2 4.28Å; F88-Y118 HydrophobicContact CG-CD2 4.28Å; F88-Y118 HydrophobicContact CG-CE2 4.14Å; F88-Y118 AromaticContact CZ-CD2 3.95Å; F88-Y118 HydrophobicContact CZ-CD2 3.95Å; F88-L128 HydrophobicContact CE1-CD1 4.3Å; F88-L128 HydrophobicContact CE1-CD2 4.28Å; F88-L128 HydrophobicContact CE1-CG 4.01Å; F88-L128 HydrophobicContact CZ-CD1 4.42Å; F88-L128 HydrophobicContact CZ-CD2 3.92Å; F88-L128 HydrophobicContact CZ-CG 4.15Å; F88-Y130 AromaticContact CE2-CE1 3.64Å; F88-Y130 HydrophobicContact CE2-CE1 3.64Å; F88-Y130 AromaticContact CE2-CZ 3.73Å; F88-Y130 WeakPolarHBondContact CE2-OH 3.42Å; F88-Y130 AromaticContact CZ-CE1 3.79Å; F88-Y130 HydrophobicContact CZ-CE1 3.79Å; F88-Y130 HydrophobicContact CZ-CE2 4.32Å; F88-Y130 AromaticContact CZ-CZ 3.65Å
89V97.4Very high91Very high16 Ų1672.7 Ų72.710%0.09740%0.398CS..EExtended strand (participates in β ladder)trans-138.2128.5165.3177.80000107.5F72 V73 G74 L91F72-V89 HydrophobicContact CD1-CG1 3.83Å; F72-V89 HydrophobicContact CE1-CG1 3.95Å; V73-V89 CarbonylContact C-O 3.56Å; V73-V89 WeakPolarHBondContact CA-O 3.28Å; G74-V89 PolarHBondContact N-O 3.23Å; G74-V89 PolarHBondContact O-N 3.23Å; V89-L91 HydrophobicContact CG1-CD1 4.41Å; V89-L91 HydrophobicContact CG1-CG 4.09Å
90D97.6Very high91.2Very high75 Ų7574.4 Ų74.440%0.40141%0.407SS..EExtended strand (participates in β ladder)trans-141.5111.3171.1177.628.4000108.6F72F72-D90 WeakPolarHBondContact O-CA 3.33Å
91L98.6Very high91.7Very high65 Ų6569.8 Ų69.834%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-120.7122.3179.1-58.7176.6000109.3E71 F72 V89 F111 V114E71-L91 CarbonylContact C-O 3.58Å; E71-L91 WeakPolarHBondContact CA-O 3.24Å; F72-L91 HydrophobicContact CB-CB 4.3Å; F72-L91 PolarHBondContact N-O 2.75Å; F72-L91 PolarHBondContact O-N 2.95Å; V89-L91 HydrophobicContact CG1-CD1 4.41Å; V89-L91 HydrophobicContact CG1-CG 4.09Å; L91-F111 HydrophobicContact CB-CD1 3.7Å; L91-F111 HydrophobicContact CB-CE1 3.75Å; L91-F111 HydrophobicContact CD1-CB 4.35Å; L91-F111 HydrophobicContact CD1-CD1 4.22Å; L91-F111 VanDerWaalsContact O-CE1 3.27Å; L91-F111 WeakPolarHBondContact O-CE1 3.5Å; L91-F111 WeakPolarHBondContact O-CZ 3.4Å; L91-V114 HydrophobicContact CD1-CB 4.38Å; L91-V114 HydrophobicContact CD1-CG1 3.85Å; L91-V114 HydrophobicContact CD1-CG2 3.91Å
92V98.6Very high92.5Very high75 Ų7571.4 Ų71.446%0.45539%0.387SS..EExtended strand (participates in β ladder)trans-110.3137.3-176-171.40000111R69 E71R69-V92 HydrophobicContact CB-CG1 4.29Å; E71-V92 HydrophobicContact CG-CG1 4.22Å; E71-V92 HydrophobicContact CG-CG2 4.13Å
93K98.5Very high93.7Very high73 Ų7369 Ų6932%0.31738%0.379SS..EExtended strand (participates in β ladder)trans-128.7116.7168.4-169.4168.6-173167.20110.2R69 I70 L95 F109 E110 F111R69-K93 WeakPolarHBondContact CA-O 3.13Å; I70-K93 HydrophobicContact CG2-CB 3.98Å; I70-K93 PolarHBondContact N-O 3.17Å; I70-K93 PolarHBondContact O-N 2.72Å; K93-L95 HydrophobicContact CG-CD2 4.4Å; K93-L95 PolarHBondContact O-N 3.25Å; K93-F109 HydrophobicContact CD-CB 4.11Å; K93-E110 PolarHBondContact NZ-O 2.74Å; K93-F111 HydrophobicContact CB-CE1 3.96Å; K93-F111 HydrophobicContact CB-CZ 4.04Å
94E98.5Very high94.7Very high114 Ų11468.7 Ų68.753%0.53337%0.369SS..EExtended strand (participates in β ladder)trans-70.5124.5171.5-65.5-61.1151.600109.7
95L98.4Very high95.6Very high23 Ų2372.4 Ų72.412%0.1238%0.379CS..EExtended strand (participates in β ladder)trans-100.7-32.4-178.2-58.2179.3000111.8V52 I68 I70 K93 Y107 F109V52-L95 HydrophobicContact CB-CD1 4.02Å; V52-L95 HydrophobicContact CG1-CD1 4.39Å; V52-L95 HydrophobicContact CG2-CD1 3.66Å; I68-L95 HydrophobicContact CB-CB 4.37Å; I68-L95 HydrophobicContact CG2-CB 4.19Å; I68-L95 HydrophobicContact CG2-CD1 4.25Å; I68-L95 WeakPolarHBondContact O-CA 3.19Å; I68-L95 WeakPolarHBondContact O-CB 3.48Å; I68-L95 PolarHBondContact O-N 3.18Å; I70-L95 HydrophobicContact CB-CD1 3.98Å; I70-L95 HydrophobicContact CG2-CD1 3.88Å; I70-L95 HydrophobicContact CG2-CD2 3.83Å; I70-L95 HydrophobicContact CG2-CG 3.99Å; K93-L95 HydrophobicContact CG-CD2 4.4Å; K93-L95 PolarHBondContact O-N 3.25Å; L95-Y107 HydrophobicContact CB-CD1 4.2Å; L95-Y107 HydrophobicContact CB-CD2 4.35Å; L95-Y107 HydrophobicContact CB-CG 3.92Å; L95-Y107 VanDerWaalsContact O-CD1 3.28Å; L95-Y107 WeakPolarHBondContact O-CD1 3.42Å; L95-Y107 WeakPolarHBondContact O-CE1 3.4Å; L95-F109 HydrophobicContact CD2-CB 4.16Å
96A98.2Very high96Very high17 Ų1772.4 Ų72.414%0.1438%0.381CS..EExtended strand (participates in β ladder)trans-152.3140.3175.600000112.1G67 I68 Y107G67-A96 WeakPolarHBondContact CA-O 3.37Å; I68-A96 HydrophobicContact CB-CB 4.01Å; I68-A96 HydrophobicContact CD1-CB 3.98Å; I68-A96 HydrophobicContact CG1-CB 4.04Å; I68-A96 PolarHBondContact N-O 2.82Å; I68-A96 PolarHBondContact O-N 2.81Å; I68-A96 VanDerWaalsContact O-N 3.08Å; A96-Y107 HydrophobicContact CB-CE1 3.98Å
97L98.3Very high96.2Very high146 Ų14671.4 Ų71.476%0.76438%0.376SS*.  trans-66.3166.6167.4-65.8178.9000111.4H65 G99H65-L97 PolarHBondContact CE1-O 3.48Å; L97-G99 PolarHBondContact O-N 2.85Å
98P98.3Very high96.4Very high80 Ų8072.4 Ų72.452%0.51938%0.384SS..SBendtrans-47.3136.4171.7-26.731.2000112.8H65 Q66H65-P98 WeakPolarHBondContact O-CA 3.37Å; Q66-P98 WeakPolarHBondContact O-CG 3.35Å
99G95.9Very high96.5Very high34 Ų3470.5 Ų70.535%0.35138%0.376SS..EExtended strand (participates in β ladder)trans176-160.7-174.500000114.1H65 L97H65-G99 PolarHBondContact CD2-O 3.13Å; H65-G99 PolarHBondContact N-O 2.91Å; H65-G99 PolarHBondContact O-N 2.89Å; L97-G99 PolarHBondContact O-N 2.85Å
100E93.6Very high96.5Very high93 Ų9374.3 Ų74.344%0.43539%0.393SS..EExtended strand (participates in β ladder)trans-126.9136.8-179.9-57.2-171.7167.700110.7R62 L63 E64R62-E100 VanDerWaalsContact CD-OE2 3.29Å; R62-E100 WeakPolarHBondContact CD-OE2 3.39Å; R62-E100 IonicContact CZ-OE1 3.59Å; R62-E100 IonicContact NE-OE1 3.5Å; R62-E100 IonicContact NH1-OE1 2.8Å; R62-E100 PolarHBondContact NH1-OE1 2.96Å; R62-E100 IonicContact NH1-OE2 2.69Å; L63-E100 WeakPolarHBondContact O-CA 3.4Å; E64-E100 HydrophobicContact CG-CG 3.94Å
101L92.1Very high96.6Very high4 Ų471.5 Ų71.52%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-102.8116.8167.4-69.9171.9000109.6L54 V56 L63 I68 R105L54-L101 HydrophobicContact CD1-CD1 3.61Å; V56-L101 HydrophobicContact CG2-CB 4.25Å; L63-L101 HydrophobicContact CB-CB 4.24Å; L63-L101 HydrophobicContact CD2-CD1 4.28Å; L63-L101 PolarHBondContact N-O 2.84Å; L63-L101 PolarHBondContact O-N 2.76Å; I68-L101 HydrophobicContact CD1-CD1 3.78Å; I68-L101 HydrophobicContact CD1-CG 4.45Å; L101-R105 HydrophobicContact CD2-CB 4Å
102T89.5Confident96.5Very high102 Ų10275.1 Ų75.163%0.62639%0.394SS*.  trans-104.8-16.5177.653.60000113.1R62R62-T102 HydrophobicContact CB-CG2 4.34Å
103Q90Very high96.4Very high142 Ų14278.9 Ų78.966%0.66441%0.406SS*.SBendtrans-143.4167.6-179.562.2-177.9-7.500110.3
104N93.4Very high96.3Very high96 Ų9675.5 Ų75.551%0.51339%0.392SS..  trans-57.3140.7173.8-62.5-6.5000110.4L54 N55 V56L54-N104 WeakPolarHBondContact O-CA 3.29Å; N55-N104 WeakPolarHBondContact CA-OD1 3.15Å; N55-N104 PolarHBondContact OD1-ND2 3.25Å; V56-N104 PolarHBondContact N-OD1 2.8Å
105R95.2Very high96.2Very high134 Ų13476.9 Ų76.951%0.50640%0.398SS..EExtended strand (participates in β ladder)trans-146.7147.1-178.2-167.5162.9179.1-176.24.9110.7L54 L101 Y107L54-R105 WeakPolarHBondContact CB-O 3.29Å; L54-R105 PolarHBondContact N-O 2.83Å; L54-R105 PolarHBondContact O-N 2.88Å; L54-R105 VanDerWaalsContact O-N 3.07Å; L101-R105 HydrophobicContact CD2-CB 4Å; R105-Y107 HydrophobicContact CB-CE2 4.43Å; R105-Y107 VanDerWaalsContact CD-OH 3.28Å; R105-Y107 WeakPolarHBondContact CD-OH 3.26Å; R105-Y107 HydrophobicContact CG-CE1 4.35Å; R105-Y107 HydrophobicContact CG-CE2 4.07Å; R105-Y107 PolarHBondContact NE-OH 2.94Å
106S98Very high96.2Very high59 Ų5975.9 Ų75.941%0.41339%0.393SS..EExtended strand (participates in β ladder)trans-120.6147.3175.7-57.10000111.3V52 N53V52-S106 CarbonylContact O-C 3.57Å; V52-S106 WeakPolarHBondContact O-CA 3.34Å; N53-S106 WeakPolarHBondContact OD1-CB 3.42Å; N53-S106 PolarHBondContact OD1-OG 3Å
107Y98.5Very high96.1Very high20 Ų2077.1 Ų77.18%0.07840%0.4CS..EExtended strand (participates in β ladder)trans-130.8128177.9-59.8-81.9000110K51 V52 L54 I68 L95 A96 R105K51-Y107 CarbonylContact C-O 3.4Å; K51-Y107 WeakPolarHBondContact CA-O 3.41Å; V52-Y107 PolarHBondContact N-O 2.96Å; V52-Y107 PolarHBondContact O-N 2.76Å; L54-Y107 HydrophobicContact CD1-CD2 4.29Å; L54-Y107 HydrophobicContact CD1-CE2 3.82Å; I68-Y107 HydrophobicContact CD1-CE2 3.96Å; L95-Y107 HydrophobicContact CB-CD1 4.2Å; L95-Y107 HydrophobicContact CB-CD2 4.35Å; L95-Y107 HydrophobicContact CB-CG 3.92Å; L95-Y107 VanDerWaalsContact O-CD1 3.28Å; L95-Y107 WeakPolarHBondContact O-CD1 3.42Å; L95-Y107 WeakPolarHBondContact O-CE1 3.4Å; A96-Y107 HydrophobicContact CB-CE1 3.98Å; R105-Y107 HydrophobicContact CB-CE2 4.43Å; R105-Y107 VanDerWaalsContact CD-OH 3.28Å; R105-Y107 WeakPolarHBondContact CD-OH 3.26Å; R105-Y107 HydrophobicContact CG-CE1 4.35Å; R105-Y107 HydrophobicContact CG-CE2 4.07Å; R105-Y107 PolarHBondContact NE-OH 2.94Å
108D98.6Very high96.1Very high109 Ų10972.9 Ų72.958%0.58337%0.374SS*.EExtended strand (participates in β ladder)trans-78.2141.3174.6-61.7-40.5000110.3K51K51-D108 WeakPolarHBondContact CE-OD1 3.45Å; K51-D108 IonicContact NZ-OD1 3.85Å
109F98.7Very high96.1Very high4 Ų469.4 Ų69.42%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-134.1154173.675.8-88.7000111V16 L18 V48 S49 G50 V52 I70 K93 L95 F111 L132V16-F109 HydrophobicContact CG1-CE1 3.93Å; V16-F109 HydrophobicContact CG1-CZ 4.06Å; L18-F109 HydrophobicContact CD2-CZ 4.31Å; V48-F109 HydrophobicContact CG1-CE2 4.33Å; S49-F109 WeakPolarHBondContact CA-O 3.45Å; S49-F109 WeakPolarHBondContact CB-O 3.34Å; G50-F109 VanDerWaalsContact CA-CE1 3.46Å; G50-F109 PolarHBondContact N-O 2.96Å; G50-F109 VanDerWaalsContact O-CD1 3.22Å; G50-F109 WeakPolarHBondContact O-CD1 3.23Å; G50-F109 PolarHBondContact O-N 2.75Å; V52-F109 HydrophobicContact CG2-CD1 3.93Å; V52-F109 HydrophobicContact CG2-CE1 4.27Å; I70-F109 HydrophobicContact CD1-CD1 3.68Å; I70-F109 HydrophobicContact CD1-CD2 3.91Å; I70-F109 HydrophobicContact CD1-CE1 3.68Å; I70-F109 HydrophobicContact CD1-CE2 3.92Å; I70-F109 HydrophobicContact CD1-CG 3.8Å; I70-F109 HydrophobicContact CD1-CZ 3.81Å; I70-F109 HydrophobicContact CG2-CB 3.75Å; I70-F109 HydrophobicContact CG2-CD2 4.49Å; I70-F109 HydrophobicContact CG2-CG 4.09Å; K93-F109 HydrophobicContact CD-CB 4.11Å; L95-F109 HydrophobicContact CD2-CB 4.16Å; F109-F111 AromaticContact CD2-CD2 3.93Å; F109-F111 HydrophobicContact CD2-CD2 3.93Å; F109-F111 AromaticContact CD2-CE2 3.8Å; F109-F111 HydrophobicContact CD2-CE2 3.8Å; F109-F111 HydrophobicContact CE2-CD2 4.26Å; F109-F111 HydrophobicContact CE2-CE2 4.26Å; F109-L132 HydrophobicContact CE2-CD1 4.02Å; F109-L132 HydrophobicContact CE2-CD2 4.17Å; F109-L132 HydrophobicContact CZ-CD1 3.69Å
110E98.5Very high96.2Very high96 Ų9668.1 Ų68.145%0.44934%0.336SS..EExtended strand (participates in β ladder)trans-155.9127.5175.3177.5169.4-146.800108.4K93 M112K93-E110 PolarHBondContact NZ-O 2.74Å; E110-M112 HydrophobicContact CG-CG 4Å
111F98.6Very high96.4Very high15 Ų1563.8 Ų63.87%0.06632%0.316CS..EExtended strand (participates in β ladder)trans-110.7114.5166-58.6-75.7000107.3S47 V48 I70 F72 L91 K93 F109 V114 L132S47-F111 CarbonylContact C-O 3.24Å; S47-F111 WeakPolarHBondContact CA-O 3.21Å; S47-F111 WeakPolarHBondContact CB-O 3.45Å; V48-F111 PolarHBondContact N-O 3.06Å; V48-F111 PolarHBondContact O-N 2.81Å; I70-F111 HydrophobicContact CG1-CE2 4.4Å; I70-F111 HydrophobicContact CG2-CE2 4.32Å; I70-F111 HydrophobicContact CG2-CZ 4.11Å; F72-F111 HydrophobicContact CB-CD2 3.98Å; F72-F111 HydrophobicContact CB-CE2 3.96Å; F72-F111 HydrophobicContact CB-CG 4.33Å; F72-F111 HydrophobicContact CB-CZ 4.28Å; L91-F111 HydrophobicContact CB-CD1 3.7Å; L91-F111 HydrophobicContact CB-CE1 3.75Å; L91-F111 HydrophobicContact CD1-CB 4.35Å; L91-F111 HydrophobicContact CD1-CD1 4.22Å; L91-F111 VanDerWaalsContact O-CE1 3.27Å; L91-F111 WeakPolarHBondContact O-CE1 3.5Å; L91-F111 WeakPolarHBondContact O-CZ 3.4Å; K93-F111 HydrophobicContact CB-CE1 3.96Å; K93-F111 HydrophobicContact CB-CZ 4.04Å; F109-F111 AromaticContact CD2-CD2 3.93Å; F109-F111 HydrophobicContact CD2-CD2 3.93Å; F109-F111 AromaticContact CD2-CE2 3.8Å; F109-F111 HydrophobicContact CD2-CE2 3.8Å; F109-F111 HydrophobicContact CE2-CD2 4.26Å; F109-F111 HydrophobicContact CE2-CE2 4.26Å; F111-V114 HydrophobicContact CB-CG2 3.39Å; F111-L132 HydrophobicContact CD2-CD2 4.4Å; F111-L132 HydrophobicContact CE2-CD2 4.04Å
112M97.7Very high96.6Very high142 Ų14264.7 Ų64.770%0.732%0.321SS*.  trans-84.9139.1-177-65.2-166.5-64.500111.1S47 E110 V114S47-M112 WeakPolarHBondContact OG-CA 3.27Å; E110-M112 HydrophobicContact CG-CG 4Å; M112-V114 VanDerWaalsContact C-N 3.32Å; M112-V114 PolarHBondContact O-N 3.3Å
113Q95.4Very high96.8Very high154 Ų15460.4 Ų60.472%0.7230%0.298SS*.SBendtrans48.749.2169.9-60.8-179.13.300114G45 S47 E115G45-Q113 WeakPolarHBondContact O-CA 3.37Å; S47-Q113 PolarHBondContact OG-N 2.95Å; S47-Q113 VanDerWaalsContact OG-N 3.13Å; Q113-E115 PolarHBondContact O-N 3.01Å
114V97.4Very high97Very high2 Ų256.2 Ų56.21%0.01229%0.287CS..  trans-68.1126-172-179.80000110.7G45 E46 V48 F72 L91 F111 M112 K116G45-V114 WeakPolarHBondContact CA-O 3.47Å; G45-V114 PolarHBondContact N-O 3.02Å; G45-V114 VanDerWaalsContact N-O 3.13Å; E46-V114 PolarHBondContact O-N 2.91Å; V48-V114 HydrophobicContact CG2-CB 4.42Å; V48-V114 HydrophobicContact CG2-CG2 4.07Å; F72-V114 HydrophobicContact CD1-CG1 3.56Å; F72-V114 HydrophobicContact CD2-CG1 4.47Å; F72-V114 HydrophobicContact CE1-CG1 3.33Å; F72-V114 HydrophobicContact CE2-CG1 4.27Å; F72-V114 HydrophobicContact CG-CG1 4.16Å; F72-V114 HydrophobicContact CZ-CG1 3.72Å; L91-V114 HydrophobicContact CD1-CB 4.38Å; L91-V114 HydrophobicContact CD1-CG1 3.85Å; L91-V114 HydrophobicContact CD1-CG2 3.91Å; F111-V114 HydrophobicContact CB-CG2 3.39Å; M112-V114 VanDerWaalsContact C-N 3.32Å; M112-V114 PolarHBondContact O-N 3.3Å; V114-K116 HydrophobicContact CG1-CG 4.22Å; V114-K116 PolarHBondContact O-NZ 2.93Å
115E96.8Very high96.9Very high143 Ų14353.4 Ų53.467%0.66827%0.272SS*.  trans-67.2129.5172-64.5-171.9171.600110.5Q113Q113-E115 PolarHBondContact O-N 3.01Å
116K98Very high96.9Very high2 Ų247 Ų471%0.00925%0.248CC..  trans-138.167.9178.1-52.2174.9-151.267.70108.3F42 Y43 D44 E46 F72 V114 Y118 Y130 V151F42-K116 HydrophobicContact CB-CD 4.06Å; Y43-K116 PolarHBondContact O-NZ 2.93Å; D44-K116 PolarHBondContact OD1-N 3.35Å; E46-K116 PolarHBondContact O-NZ 2.69Å; F72-K116 HydrophobicContact CE1-CG 4.48Å; F72-K116 HydrophobicContact CZ-CD 4.06Å; F72-K116 HydrophobicContact CZ-CG 4.03Å; V114-K116 HydrophobicContact CG1-CG 4.22Å; V114-K116 PolarHBondContact O-NZ 2.93Å; K116-Y118 PolarHBondContact O-N 2.82Å; K116-Y130 HydrophobicContact CB-CE1 3.99Å; K116-Y130 HydrophobicContact CG-CE1 4.21Å; K116-V151 HydrophobicContact CB-CG1 3.78Å; K116-V151 HydrophobicContact CB-CG2 4.08Å; K116-V151 HydrophobicContact CD-CG1 4.44Å; K116-V151 HydrophobicContact CD-CG2 3.66Å; K116-V151 HydrophobicContact CG-CG2 4.26Å
117P96.3Very high96.8Very high43 Ų4345.9 Ų45.928%0.27924%0.235SC..  trans-66.8-14.7-164.625.6-35.3000114.4F88 Q153F88-P117 HydrophobicContact CD2-CG 4.23Å; F88-P117 HydrophobicContact CE2-CG 4.33Å; P117-Q153 PolarHBondContact O-NE2 2.98Å
118Y97.8Very high96.8Very high57 Ų5745 Ų4522%0.22423%0.232CC..SBendtrans-127.6145.7-173.5-49.5-56.3000112.2F88 K116 L128 Y130 V151 V264 N265F88-Y118 HydrophobicContact CD1-CD2 4.46Å; F88-Y118 AromaticContact CD2-CD2 3.87Å; F88-Y118 HydrophobicContact CD2-CD2 3.87Å; F88-Y118 AromaticContact CD2-CE2 3.94Å; F88-Y118 HydrophobicContact CD2-CE2 3.94Å; F88-Y118 HydrophobicContact CE1-CD2 4.28Å; F88-Y118 AromaticContact CE2-CD2 3.73Å; F88-Y118 HydrophobicContact CE2-CD2 3.73Å; F88-Y118 HydrophobicContact CE2-CE2 4.28Å; F88-Y118 HydrophobicContact CG-CD2 4.28Å; F88-Y118 HydrophobicContact CG-CE2 4.14Å; F88-Y118 AromaticContact CZ-CD2 3.95Å; F88-Y118 HydrophobicContact CZ-CD2 3.95Å; K116-Y118 PolarHBondContact O-N 2.82Å; Y118-L128 VanDerWaalsContact CB-CD1 3.47Å; Y118-L128 HydrophobicContact CD2-CD1 4.1Å; Y118-L128 HydrophobicContact CG-CD1 4.03Å; Y118-Y130 PolarHBondContact N-OH 2.99Å; Y118-Y130 VanDerWaalsContact O-CE2 3.26Å; Y118-Y130 WeakPolarHBondContact O-CE2 3.49Å; Y118-Y130 PolarHBondContact O-OH 3.03Å; Y118-V151 WeakPolarHBondContact O-CG1 3.3Å; Y118-V264 HydrophobicContact CD1-CG1 3.69Å; Y118-V264 HydrophobicContact CD2-CG1 3.98Å; Y118-V264 HydrophobicContact CE1-CG1 4.02Å; Y118-V264 HydrophobicContact CE2-CG1 4.32Å; Y118-V264 HydrophobicContact CG-CG1 3.66Å; Y118-N265 HydrophobicContact CE2-CB 4.02Å; Y118-N265 PolarHBondContact OH-N 2.99Å
119E97.8Very high96.7Very high7 Ų741 Ų413%0.03321%0.208CC..  trans-74.3138.9172.3172.4154.2144.800111.2V151 H152 Q153 P259 M261 R296E119-V151 WeakPolarHBondContact CA-O 3.42Å; E119-V151 WeakPolarHBondContact CG-O 3.47Å; E119-H152 IonicContact OE1-CD2 3.96Å; E119-H152 WeakPolarHBondContact OE2-CA 3.42Å; E119-H152 IonicContact OE2-CD2 3.45Å; E119-Q153 HydrophobicContact CB-CB 3.96Å; E119-Q153 PolarHBondContact OE2-N 3.45Å; E119-P259 WeakPolarHBondContact OE1-CD 3.35Å; E119-P259 VanDerWaalsContact OE1-CG 3.28Å; E119-P259 WeakPolarHBondContact OE1-CG 3.37Å; E119-M261 HydrophobicContact CB-CE 4.06Å; E119-M261 HydrophobicContact CG-CE 4.01Å; E119-R296 IonicContact OE1-CZ 2.83Å; E119-R296 VanDerWaalsContact OE1-CZ 3.24Å; E119-R296 IonicContact OE1-NE 3.75Å; E119-R296 PolarHBondContact OE1-NE 2.87Å; E119-R296 IonicContact OE1-NH2 2.73Å; E119-R296 PolarHBondContact OE1-NH2 2.88Å; E119-R296 IonicContact OE2-CZ 3.46Å; E119-R296 IonicContact OE2-NE 3.36Å; E119-R296 PolarHBondContact OE2-NE 2.91Å
120S98.2Very high96.7Very high7 Ų740.8 Ų40.85%0.04921%0.207CC..  trans-56.4138.5174.6-65.60000111L128 V151S120-L128 WeakPolarHBondContact CA-O 3.28Å; S120-V151 PolarHBondContact N-O 2.68Å; S120-V151 PolarHBondContact OG-N 3.09Å
121Y97.5Very high96.7Very high2 Ų236.2 Ų36.21%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-147.1134.2-175.8-178.2-109.6000111V126 R127 L128 K213 E215 T258 M261 F268 V270Y121-V126 HydrophobicContact CD1-CG1 4.02Å; Y121-V126 HydrophobicContact CE1-CG1 3.76Å; Y121-R127 CarbonylContact O-C 3.5Å; Y121-R127 WeakPolarHBondContact O-CA 3.22Å; Y121-L128 PolarHBondContact N-O 3.37Å; Y121-L128 PolarHBondContact O-N 2.96Å; Y121-K213 WeakPolarHBondContact OH-CE 3.11Å; Y121-K213 PolarHBondContact OH-NZ 3.19Å; Y121-E215 HydrophobicContact CE1-CG 4.45Å; Y121-E215 VanDerWaalsContact CE1-OE2 3.28Å; Y121-E215 WeakPolarHBondContact CE1-OE2 3.49Å; Y121-E215 PolarHBondContact OH-OE2 2.94Å; Y121-T258 HydrophobicContact CD2-CG2 4.05Å; Y121-T258 HydrophobicContact CE2-CG2 4.1Å; Y121-M261 HydrophobicContact CD2-CE 4Å; Y121-M261 HydrophobicContact CD2-SD 4.08Å; Y121-M261 HydrophobicContact CG-CE 4.24Å; Y121-M261 HydrophobicContact CG-SD 4Å; Y121-F268 HydrophobicContact CD1-CD2 4.46Å; Y121-F268 AromaticContact CD1-CE2 3.71Å; Y121-F268 HydrophobicContact CD1-CE2 3.71Å; Y121-F268 HydrophobicContact CD1-CZ 4.18Å; Y121-F268 HydrophobicContact CE1-CE2 4.19Å; Y121-F268 HydrophobicContact CG-CE2 4.29Å; Y121-V270 HydrophobicContact CD1-CG2 4.3Å; Y121-V270 HydrophobicContact CD2-CG2 4.34Å; Y121-V270 HydrophobicContact CE1-CG2 3.75Å; Y121-V270 HydrophobicContact CE2-CG1 4.38Å; Y121-V270 HydrophobicContact CE2-CG2 3.81Å
122T96.2Very high96.7Very high22 Ų2235.5 Ų35.514%0.13518%0.183CC..EExtended strand (participates in β ladder)trans-120.3113.9167.6-53.90000107.7K30 E32K30-T122 VanDerWaalsContact O-CB 3.25Å; K30-T122 WeakPolarHBondContact O-CB 3.29Å; K30-T122 PolarHBondContact O-OG1 3.04Å; E32-T122 HydrophobicContact CG-CG2 3.8Å
123G94.6Very high96.8Very high13 Ų1330.7 Ų30.713%0.13416%0.157CC..  trans-110.9-166.8-175.100000113.8V126 E215G123-V126 VanDerWaalsContact CA-O 3.29Å; G123-V126 WeakPolarHBondContact CA-O 3.42Å; G123-V126 PolarHBondContact N-O 3.19Å; G123-E215 WeakPolarHBondContact CA-OE2 3.14Å
124A93.1Very high96.9Very high53 Ų5323.4 Ų23.444%0.43812%0.123SC..SBendtrans-83.1-35.5175.800000112.3F79 E215 E226F79-A124 WeakPolarHBondContact CD2-O 3.5Å; A124-E215 PolarHBondContact N-OE1 2.94Å; A124-E215 PolarHBondContact N-OE2 2.89Å; A124-E226 HydrophobicContact CB-CB 4.22Å; A124-E226 HydrophobicContact CB-CG 3.69Å
125N92.9Very high97Very high38 Ų3823.4 Ų23.420%0.20312%0.123CC..SBendtrans-125.5-3.2-176.1-64.4-61.1000113.1F79 E215 T217F79-N125 PolarHBondContact N-O 2.92Å; N125-E215 WeakPolarHBondContact CA-OE1 3.46Å; N125-E215 WeakPolarHBondContact CB-OE1 3.34Å; N125-E215 PolarHBondContact N-OE1 3.08Å; N125-T217 HydrophobicContact CB-CG2 3.88Å
126V94.8Very high97Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-145.6143.9-177.161.80000112.1I76 E77 L78 Y121 G123 E215 T217 F268I76-V126 HydrophobicContact CG2-CG2 3.56Å; E77-V126 CarbonylContact O-C 3.48Å; E77-V126 VanDerWaalsContact O-CA 3.3Å; E77-V126 WeakPolarHBondContact O-CA 3.28Å; L78-V126 HydrophobicContact CD2-CB 4.05Å; L78-V126 HydrophobicContact CD2-CG2 3.78Å; Y121-V126 HydrophobicContact CD1-CG1 4.02Å; Y121-V126 HydrophobicContact CE1-CG1 3.76Å; G123-V126 VanDerWaalsContact CA-O 3.29Å; G123-V126 WeakPolarHBondContact CA-O 3.42Å; G123-V126 PolarHBondContact N-O 3.19Å; V126-E215 HydrophobicContact CG1-CG 4.15Å; V126-T217 HydrophobicContact CB-CG2 3.73Å; V126-T217 HydrophobicContact CG1-CG2 3.66Å; V126-F268 HydrophobicContact CB-CG 4.43Å; V126-F268 HydrophobicContact CG1-CB 4.12Å; V126-F268 HydrophobicContact CG1-CD1 4.38Å; V126-F268 HydrophobicContact CG1-CD2 3.76Å; V126-F268 HydrophobicContact CG1-CE2 4.23Å; V126-F268 HydrophobicContact CG1-CG 3.84Å; V126-F268 HydrophobicContact CG2-CB 4.37Å; V126-F268 HydrophobicContact CG2-CD1 3.67Å; V126-F268 HydrophobicContact CG2-CE1 4Å; V126-F268 HydrophobicContact CG2-CG 3.95Å
127R95.6Very high97Very high35 Ų3518.3 Ų18.313%0.13210%0.102CC..EExtended strand (participates in β ladder)trans-126.9129170-172.1175.7-174.6-153.9-4.7110.1I76 E77 F79 Y121 R129 E148I76-R127 CarbonylContact C-O 3.56Å; I76-R127 WeakPolarHBondContact CA-O 3.46Å; E77-R127 HydrophobicContact CB-CB 4.3Å; E77-R127 PolarHBondContact N-O 2.82Å; E77-R127 PolarHBondContact O-N 2.82Å; F79-R127 HydrophobicContact CE1-CB 3.83Å; F79-R127 HydrophobicContact CZ-CB 3.84Å; Y121-R127 CarbonylContact O-C 3.5Å; Y121-R127 WeakPolarHBondContact O-CA 3.22Å; R127-R129 HydrophobicContact CG-CB 4.5Å; R127-E148 IonicContact CZ-OE1 2.71Å; R127-E148 IonicContact NH1-OE1 3.24Å; R127-E148 IonicContact NH2-OE1 3.44Å; R127-E148 PolarHBondContact NH2-OE1 3.48Å
128L97.6Very high96.9Very high1 Ų119.8 Ų19.81%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-112.4115.8169.1-169.8160.4000108.1Q75 I76 F88 Y118 S120 Y121 Y130 V264 F268Q75-L128 WeakPolarHBondContact O-CA 3.35Å; I76-L128 HydrophobicContact CD1-CD1 4.25Å; I76-L128 HydrophobicContact CG1-CB 4.41Å; I76-L128 HydrophobicContact CG1-CD1 3.97Å; I76-L128 HydrophobicContact CG1-CG 4.01Å; F88-L128 HydrophobicContact CE1-CD1 4.3Å; F88-L128 HydrophobicContact CE1-CD2 4.28Å; F88-L128 HydrophobicContact CE1-CG 4.01Å; F88-L128 HydrophobicContact CZ-CD1 4.42Å; F88-L128 HydrophobicContact CZ-CD2 3.92Å; F88-L128 HydrophobicContact CZ-CG 4.15Å; Y118-L128 VanDerWaalsContact CB-CD1 3.47Å; Y118-L128 HydrophobicContact CD2-CD1 4.1Å; Y118-L128 HydrophobicContact CG-CD1 4.03Å; S120-L128 WeakPolarHBondContact CA-O 3.28Å; Y121-L128 PolarHBondContact N-O 3.37Å; Y121-L128 PolarHBondContact O-N 2.96Å; L128-Y130 HydrophobicContact CD2-CD2 4.13Å; L128-Y130 HydrophobicContact CD2-CE2 3.46Å; L128-Y130 VanDerWaalsContact CD2-CE2 3.46Å; L128-V264 HydrophobicContact CD1-CG1 3.57Å; L128-F268 HydrophobicContact CB-CE1 4.34Å; L128-F268 HydrophobicContact CB-CZ 4.2Å; L128-F268 HydrophobicContact CD1-CE1 4Å; L128-F268 HydrophobicContact CD1-CZ 4.04Å
129R97.5Very high96.6Very high24 Ų2428 Ų289%0.09113%0.133CC..EExtended strand (participates in β ladder)trans-135.9157.9-175.263.7-176.4-72.1-140.1-12.7112.3G74 Q75 E77 R127 F131 E146 E148G74-R129 WeakPolarHBondContact CA-O 3.26Å; Q75-R129 HydrophobicContact CG-CG 4.13Å; Q75-R129 PolarHBondContact N-O 2.82Å; Q75-R129 PolarHBondContact O-N 2.89Å; E77-R129 VanDerWaalsContact OE1-CD 3.3Å; E77-R129 WeakPolarHBondContact OE1-CD 3.45Å; E77-R129 IonicContact OE1-NH1 3.98Å; E77-R129 PolarHBondContact OE1-NH1 2.9Å; R127-R129 HydrophobicContact CG-CB 4.5Å; R129-F131 HydrophobicContact CG-CD1 4.13Å; R129-F131 HydrophobicContact CG-CE1 4.23Å; R129-E146 IonicContact CZ-OE2 2.8Å; R129-E146 IonicContact NH1-OE2 2.72Å; R129-E146 IonicContact NH2-OE2 3.5Å; R129-E146 PolarHBondContact NH2-OE2 2.82Å; R129-E148 VanDerWaalsContact CZ-CD 3.46Å; R129-E148 IonicContact CZ-OE1 3.82Å; R129-E148 IonicContact CZ-OE2 3.61Å; R129-E148 VanDerWaalsContact NE-CD 3.31Å; R129-E148 IonicContact NE-OE1 3.65Å; R129-E148 PolarHBondContact NE-OE1 3.19Å; R129-E148 IonicContact NE-OE2 2.7Å; R129-E148 PolarHBondContact NE-OE2 3.48Å; R129-E148 IonicContact NH1-OE1 3Å; R129-E148 IonicContact NH2-OE1 3.57Å; R129-E148 PolarHBondContact NH2-OE1 3.34Å; R129-E148 IonicContact NH2-OE2 3.23Å; R129-E148 PolarHBondContact NH2-OE2 2.8Å
130Y98.6Very high96.2Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-125.6138.7173.2-63.3-95.1000108.7F72 V73 F88 K116 Y118 L128 L149 V151F72-Y130 AromaticContact CE1-CD1 3.89Å; F72-Y130 HydrophobicContact CE1-CD1 3.89Å; F72-Y130 HydrophobicContact CE1-CE1 4.49Å; F72-Y130 AromaticContact CZ-CD1 3.72Å; F72-Y130 HydrophobicContact CZ-CD1 3.72Å; F72-Y130 HydrophobicContact CZ-CG 4.42Å; V73-Y130 CarbonylContact O-C 3.59Å; V73-Y130 VanDerWaalsContact O-CA 3.23Å; V73-Y130 WeakPolarHBondContact O-CA 2.93Å; F88-Y130 AromaticContact CE2-CE1 3.64Å; F88-Y130 HydrophobicContact CE2-CE1 3.64Å; F88-Y130 AromaticContact CE2-CZ 3.73Å; F88-Y130 WeakPolarHBondContact CE2-OH 3.42Å; F88-Y130 AromaticContact CZ-CE1 3.79Å; F88-Y130 HydrophobicContact CZ-CE1 3.79Å; F88-Y130 HydrophobicContact CZ-CE2 4.32Å; F88-Y130 AromaticContact CZ-CZ 3.65Å; K116-Y130 HydrophobicContact CB-CE1 3.99Å; K116-Y130 HydrophobicContact CG-CE1 4.21Å; Y118-Y130 PolarHBondContact N-OH 2.99Å; Y118-Y130 VanDerWaalsContact O-CE2 3.26Å; Y118-Y130 WeakPolarHBondContact O-CE2 3.49Å; Y118-Y130 PolarHBondContact O-OH 3.03Å; L128-Y130 HydrophobicContact CD2-CD2 4.13Å; L128-Y130 HydrophobicContact CD2-CE2 3.46Å; L128-Y130 VanDerWaalsContact CD2-CE2 3.46Å; Y130-L149 PolarHBondContact O-N 3.5Å; Y130-V151 HydrophobicContact CD1-CG2 4.15Å; Y130-V151 HydrophobicContact CD2-CB 3.74Å; Y130-V151 HydrophobicContact CD2-CG2 3.31Å; Y130-V151 HydrophobicContact CE1-CG2 4.32Å; Y130-V151 HydrophobicContact CE2-CB 3.58Å; Y130-V151 HydrophobicContact CE2-CG1 4.19Å; Y130-V151 HydrophobicContact CE2-CG2 3.52Å; Y130-V151 HydrophobicContact CG-CG2 3.63Å
131F98.6Very high95.9Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-153.5158178.155.4-86000111.9V73 Q75 R129 R133 E146 Y147V73-F131 HydrophobicContact CB-CD2 4.26Å; V73-F131 HydrophobicContact CB-CE1 4.06Å; V73-F131 HydrophobicContact CB-CE2 3.77Å; V73-F131 HydrophobicContact CB-CZ 3.65Å; V73-F131 HydrophobicContact CG1-CE1 3.99Å; V73-F131 HydrophobicContact CG1-CE2 4.23Å; V73-F131 HydrophobicContact CG1-CZ 3.63Å; V73-F131 HydrophobicContact CG2-CE2 3.97Å; V73-F131 HydrophobicContact CG2-CZ 4.22Å; V73-F131 PolarHBondContact N-O 3.31Å; V73-F131 PolarHBondContact O-N 3.23Å; Q75-F131 HydrophobicContact CG-CE1 3.99Å; R129-F131 HydrophobicContact CG-CD1 4.13Å; R129-F131 HydrophobicContact CG-CE1 4.23Å; F131-R133 HydrophobicContact CD2-CB 3.96Å; F131-R133 HydrophobicContact CE2-CB 3.87Å; F131-E146 HydrophobicContact CD2-CB 4.18Å; F131-E146 HydrophobicContact CD2-CG 3.86Å; F131-E146 HydrophobicContact CE2-CG 4.06Å; F131-E146 WeakPolarHBondContact CE2-OE1 3.26Å; F131-Y147 CarbonylContact C-O 3.59Å; F131-Y147 WeakPolarHBondContact CA-O 3.29Å; F131-Y147 VanDerWaalsContact CB-O 3.29Å; F131-Y147 WeakPolarHBondContact CB-O 3.22Å
132L98.8Very high95.8Very high1 Ų141.5 Ų41.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-91.9127.2163.5-64.4168.8000108.9V16 L18 V48 I70 E71 F72 F109 F111 E146 Y147 L149V16-L132 HydrophobicContact CG1-CD1 3.91Å; L18-L132 HydrophobicContact CD2-CD1 4.03Å; V48-L132 HydrophobicContact CG1-CD1 4.13Å; V48-L132 HydrophobicContact CG1-CD2 4.07Å; V48-L132 HydrophobicContact CG1-CG 4.47Å; I70-L132 HydrophobicContact CD1-CB 4.29Å; I70-L132 HydrophobicContact CD1-CD1 4.47Å; I70-L132 HydrophobicContact CD1-CD2 4.22Å; I70-L132 HydrophobicContact CG1-CD2 4.44Å; E71-L132 CarbonylContact O-C 3.56Å; E71-L132 VanDerWaalsContact O-CA 3.26Å; E71-L132 WeakPolarHBondContact O-CA 3.44Å; F72-L132 HydrophobicContact CB-CD2 4.07Å; F72-L132 HydrophobicContact CD2-CD2 3.96Å; F109-L132 HydrophobicContact CE2-CD1 4.02Å; F109-L132 HydrophobicContact CE2-CD2 4.17Å; F109-L132 HydrophobicContact CZ-CD1 3.69Å; F111-L132 HydrophobicContact CD2-CD2 4.4Å; F111-L132 HydrophobicContact CE2-CD2 4.04Å; L132-E146 CarbonylContact O-C 3.52Å; L132-E146 VanDerWaalsContact O-CA 3.29Å; L132-E146 WeakPolarHBondContact O-CA 3.49Å; L132-Y147 PolarHBondContact N-O 3.47Å; L132-Y147 PolarHBondContact O-N 2.87Å; L132-L149 HydrophobicContact CG-CD1 4.24Å
133R98.7Very high95.8Very high41 Ų4142.4 Ų42.416%0.15521%0.213CC..EExtended strand (participates in β ladder)trans-113.3114.6176.6175.7168.165.3-146.22.2109.4I70 E71 E87 F131 I144 E146I70-R133 CarbonylContact C-O 3.49Å; I70-R133 WeakPolarHBondContact CA-O 3.42Å; E71-R133 HydrophobicContact CB-CB 4.25Å; E71-R133 PolarHBondContact N-O 2.69Å; E71-R133 PolarHBondContact O-N 3.06Å; E71-R133 IonicContact OE1-CZ 3.66Å; E71-R133 VanDerWaalsContact OE1-CZ 3.3Å; E71-R133 IonicContact OE1-NE 2.72Å; E71-R133 PolarHBondContact OE1-NE 3.22Å; E71-R133 IonicContact OE1-NH2 2.9Å; E71-R133 PolarHBondContact OE1-NH2 2.85Å; E71-R133 IonicContact OE2-NE 3.03Å; E87-R133 IonicContact OE1-NH1 3.96Å; E87-R133 IonicContact OE1-NH2 2.82Å; E87-R133 PolarHBondContact OE1-NH2 2.94Å; F131-R133 HydrophobicContact CD2-CB 3.96Å; F131-R133 HydrophobicContact CE2-CB 3.87Å; R133-I144 HydrophobicContact CG-CG2 3.83Å; R133-E146 HydrophobicContact CB-CG 4.35Å; R133-E146 HydrophobicContact CG-CG 4.38Å
134V98.7Very high95.9Very high0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-95.9127.2172178.70000108.5I14 V16 V52 R69 I70 I144 K145I14-V134 HydrophobicContact CD1-CG1 4.26Å; I14-V134 HydrophobicContact CG2-CB 3.78Å; I14-V134 HydrophobicContact CG2-CG1 3.66Å; I14-V134 HydrophobicContact CG2-CG2 4.17Å; V16-V134 HydrophobicContact CG2-CG2 3.58Å; V52-V134 HydrophobicContact CG1-CG1 3.78Å; V52-V134 HydrophobicContact CG1-CG2 4.01Å; V52-V134 HydrophobicContact CG2-CG2 3.84Å; R69-V134 WeakPolarHBondContact O-CA 3.5Å; I70-V134 HydrophobicContact CB-CG2 4.3Å; I70-V134 HydrophobicContact CD1-CG2 3.96Å; I70-V134 HydrophobicContact CG1-CG2 4.02Å; V134-I144 WeakPolarHBondContact O-CA 3.49Å; V134-K145 PolarHBondContact N-O 3.06Å; V134-K145 PolarHBondContact O-N 3.36Å
135T98.5Very high96.1Very high3 Ų348.4 Ų48.42%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-123.1118-178.6-56.10000109.5I68 R69 E71 V137 D142 I144I68-T135 WeakPolarHBondContact CA-O 3.43Å; R69-T135 PolarHBondContact N-O 3.46Å; R69-T135 PolarHBondContact O-N 3.06Å; E71-T135 PolarHBondContact OE2-OG1 3.23Å; E71-T135 VanDerWaalsContact OE2-OG1 3.09Å; T135-V137 HydrophobicContact CG2-CG2 4.05Å; T135-D142 HydrophobicContact CG2-CB 4.27Å; T135-I144 HydrophobicContact CG2-CG1 4.21Å
136I97.8Very high96.4Very high0 Ų050.2 Ų50.20%024%0.237CC..EExtended strand (participates in β ladder)trans-99.2105.7165.8-55.7173.1000107.1I14 L54 L63 H65 I68 R138 D142 L143I14-I136 HydrophobicContact CD1-CD1 3.91Å; I14-I136 HydrophobicContact CD1-CG1 4.16Å; I14-I136 HydrophobicContact CG1-CD1 4.01Å; L54-I136 HydrophobicContact CD1-CD1 3.98Å; L54-I136 HydrophobicContact CD2-CD1 3.95Å; L63-I136 HydrophobicContact CD2-CD1 4.38Å; L63-I136 HydrophobicContact CD2-CG2 4.37Å; H65-I136 HydrophobicContact CB-CG2 3.65Å; I68-I136 HydrophobicContact CG1-CG1 4.37Å; I68-I136 HydrophobicContact CG1-CG2 4.29Å; I68-I136 HydrophobicContact CG2-CG1 4.18Å; I136-R138 HydrophobicContact CG2-CG 4.32Å; I136-R138 PolarHBondContact O-N 3.5Å; I136-D142 WeakPolarHBondContact O-CA 3.43Å; I136-L143 HydrophobicContact CB-CB 4.19Å; I136-L143 HydrophobicContact CD1-CB 4.47Å; I136-L143 HydrophobicContact CD1-CD1 4.35Å; I136-L143 PolarHBondContact N-O 2.83Å; I136-L143 PolarHBondContact O-N 2.73Å
137V97.6Very high96.5Very high38 Ų3852.7 Ų52.723%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-73.2127.9-176.7-173.50000109.3H65 Q66 G67 T135 D142H65-V137 CarbonylContact C-O 3.54Å; H65-V137 WeakPolarHBondContact CA-O 3.26Å; H65-V137 WeakPolarHBondContact CB-O 3.31Å; Q66-V137 HydrophobicContact CB-CB 4.22Å; Q66-V137 HydrophobicContact CB-CG1 3.95Å; Q66-V137 PolarHBondContact N-O 2.85Å; G67-V137 PolarHBondContact O-N 3.09Å; T135-V137 HydrophobicContact CG2-CG2 4.05Å; V137-D142 VanDerWaalsContact CA-OD1 3.3Å; V137-D142 WeakPolarHBondContact CA-OD1 3.34Å
138R94.4Very high96.6Very high73 Ų7352.8 Ų52.828%0.27525%0.248SC..  trans-130.3161-177.7-66.2173.967.2-143.95.1110.7I136 L140 S141 D142I136-R138 HydrophobicContact CG2-CG 4.32Å; I136-R138 PolarHBondContact O-N 3.5Å; R138-L140 VanDerWaalsContact C-N 3.27Å; R138-L140 PolarHBondContact O-N 3.26Å; R138-S141 WeakPolarHBondContact CB-O 3.45Å; R138-S141 WeakPolarHBondContact CD-O 3.42Å; R138-S141 PolarHBondContact NH1-O 2.91Å; R138-D142 PolarHBondContact N-OD1 3.21Å
139R91.4Very high96.6Very high231 Ų23153 Ų5387%0.87225%0.25SC*.SBendtrans-60.2-34.2-179.1-175.2176.9178-175.70.5113.9
140L89.1Confident96.7Very high163 Ų16352 Ų5285%0.85325%0.246SC*.SBendtrans-104.4-56.6-174.8-66.2179.4000112.5R138R138-L140 VanDerWaalsContact C-N 3.27Å; R138-L140 PolarHBondContact O-N 3.26Å
141S92.5Very high96.6Very high78 Ų7852.1 Ų52.155%0.54525%0.246SC..  trans-152.4126.8-177.7167.60000109.1R138R138-S141 WeakPolarHBondContact CB-O 3.45Å; R138-S141 WeakPolarHBondContact CD-O 3.42Å; R138-S141 PolarHBondContact NH1-O 2.91Å
142D95.6Very high96.6Very high58 Ų5853.4 Ų53.431%0.3125%0.253SS..  trans-64.4147.5179.9-64.7-8.6000110.9T135 I136 V137 R138 I144T135-D142 HydrophobicContact CG2-CB 4.27Å; I136-D142 WeakPolarHBondContact O-CA 3.43Å; V137-D142 VanDerWaalsContact CA-OD1 3.3Å; V137-D142 WeakPolarHBondContact CA-OD1 3.34Å; R138-D142 PolarHBondContact N-OD1 3.21Å; D142-I144 HydrophobicContact CB-CD1 4.36Å; D142-I144 HydrophobicContact CB-CG1 4.11Å
143L95Very high96.3Very high40 Ų4058 Ų5821%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-94115.2167-58.1174.9000107.5C12 I14 L63 I136C12-L143 HydrophobicContact CB-CD1 3.98Å; I14-L143 HydrophobicContact CD1-CB 4.08Å; L63-L143 HydrophobicContact CD2-CD1 4.4Å; I136-L143 HydrophobicContact CB-CB 4.19Å; I136-L143 HydrophobicContact CD1-CB 4.47Å; I136-L143 HydrophobicContact CD1-CD1 4.35Å; I136-L143 PolarHBondContact N-O 2.83Å; I136-L143 PolarHBondContact O-N 2.73Å
144I97.1Very high95.9Very high98 Ų9858.7 Ų58.750%0.50328%0.28SS..EExtended strand (participates in β ladder)trans-117.2133.3-178.2-58.6174.5000108.5R133 V134 T135 D142R133-I144 HydrophobicContact CG-CG2 3.83Å; V134-I144 WeakPolarHBondContact O-CA 3.49Å; T135-I144 HydrophobicContact CG2-CG1 4.21Å; D142-I144 HydrophobicContact CB-CD1 4.36Å; D142-I144 HydrophobicContact CB-CG1 4.11Å
145K97.9Very high95.2Very high95 Ų9560.6 Ų60.641%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-134.8127172.5-174.468.7173.3175.30109.7I14 V134 Y147I14-K145 HydrophobicContact CB-CB 3.83Å; I14-K145 HydrophobicContact CB-CG 4.22Å; I14-K145 HydrophobicContact CD1-CB 4Å; I14-K145 HydrophobicContact CG1-CB 4.47Å; I14-K145 HydrophobicContact CG2-CB 3.9Å; I14-K145 HydrophobicContact CG2-CG 4.33Å; V134-K145 PolarHBondContact N-O 3.06Å; V134-K145 PolarHBondContact O-N 3.36Å; K145-Y147 HydrophobicContact CB-CE2 4.25Å; K145-Y147 HydrophobicContact CD-CE2 4.41Å; K145-Y147 HydrophobicContact CG-CD2 4.14Å; K145-Y147 HydrophobicContact CG-CE2 3.32Å
146E98Very high94.4Very high75 Ų7565.3 Ų65.335%0.3533%0.325SS..EExtended strand (participates in β ladder)trans-103.8144.2176.9-64.5-175.9174.800111.3R129 F131 L132 R133R129-E146 IonicContact CZ-OE2 2.8Å; R129-E146 IonicContact NH1-OE2 2.72Å; R129-E146 IonicContact NH2-OE2 3.5Å; R129-E146 PolarHBondContact NH2-OE2 2.82Å; F131-E146 HydrophobicContact CD2-CB 4.18Å; F131-E146 HydrophobicContact CD2-CG 3.86Å; F131-E146 HydrophobicContact CE2-CG 4.06Å; F131-E146 WeakPolarHBondContact CE2-OE1 3.26Å; L132-E146 CarbonylContact O-C 3.52Å; L132-E146 VanDerWaalsContact O-CA 3.29Å; L132-E146 WeakPolarHBondContact O-CA 3.49Å; R133-E146 HydrophobicContact CB-CG 4.35Å; R133-E146 HydrophobicContact CG-CG 4.38Å
147Y97.6Very high93.5Very high52 Ų5270.3 Ų70.320%0.20435%0.345CS..EExtended strand (participates in β ladder)trans-127.9106.1176-73.3-95.2000109.4I14 D15 V16 F131 L132 K145I14-Y147 PolarHBondContact O-OH 3.22Å; D15-Y147 VanDerWaalsContact CA-OH 3.24Å; D15-Y147 WeakPolarHBondContact CA-OH 3.38Å; D15-Y147 PolarHBondContact OD1-OH 3.13Å; V16-Y147 HydrophobicContact CB-CD1 4.03Å; V16-Y147 HydrophobicContact CB-CD2 3.67Å; V16-Y147 HydrophobicContact CB-CE1 4.03Å; V16-Y147 HydrophobicContact CB-CE2 3.67Å; V16-Y147 HydrophobicContact CB-CG 3.89Å; V16-Y147 HydrophobicContact CG2-CD2 3.45Å; V16-Y147 VanDerWaalsContact CG2-CD2 3.45Å; V16-Y147 HydrophobicContact CG2-CE2 3.35Å; V16-Y147 HydrophobicContact CG2-CG 4.18Å; V16-Y147 PolarHBondContact N-OH 3.31Å; F131-Y147 CarbonylContact C-O 3.59Å; F131-Y147 WeakPolarHBondContact CA-O 3.29Å; F131-Y147 VanDerWaalsContact CB-O 3.29Å; F131-Y147 WeakPolarHBondContact CB-O 3.22Å; L132-Y147 PolarHBondContact N-O 3.47Å; L132-Y147 PolarHBondContact O-N 2.87Å; K145-Y147 HydrophobicContact CB-CE2 4.25Å; K145-Y147 HydrophobicContact CD-CE2 4.41Å; K145-Y147 HydrophobicContact CG-CD2 4.14Å; K145-Y147 HydrophobicContact CG-CE2 3.32Å
148E97.5Very high92.7Very high37 Ų3770.1 Ų70.117%0.17334%0.344CS..EExtended strand (participates in β ladder)trans-66142.2-178.2-63.7-80.2-15300112.1R127 R129R127-E148 IonicContact CZ-OE1 2.71Å; R127-E148 IonicContact NH1-OE1 3.24Å; R127-E148 IonicContact NH2-OE1 3.44Å; R127-E148 PolarHBondContact NH2-OE1 3.48Å; R129-E148 VanDerWaalsContact CZ-CD 3.46Å; R129-E148 IonicContact CZ-OE1 3.82Å; R129-E148 IonicContact CZ-OE2 3.61Å; R129-E148 VanDerWaalsContact NE-CD 3.31Å; R129-E148 IonicContact NE-OE1 3.65Å; R129-E148 PolarHBondContact NE-OE1 3.19Å; R129-E148 IonicContact NE-OE2 2.7Å; R129-E148 PolarHBondContact NE-OE2 3.48Å; R129-E148 IonicContact NH1-OE1 3Å; R129-E148 IonicContact NH2-OE1 3.57Å; R129-E148 PolarHBondContact NH2-OE1 3.34Å; R129-E148 IonicContact NH2-OE2 3.23Å; R129-E148 PolarHBondContact NH2-OE2 2.8Å
149L98Very high91.8Very high7 Ų774.8 Ų74.84%0.03738%0.375CS..EExtended strand (participates in β ladder)trans-128.2146.1174.7-55.1178000108.9F42 V48 F72 Y130 L132F42-L149 HydrophobicContact CD2-CB 4.34Å; F42-L149 HydrophobicContact CD2-CD1 4.27Å; F42-L149 HydrophobicContact CD2-CD2 4.2Å; F42-L149 HydrophobicContact CE2-CD1 4.16Å; F42-L149 HydrophobicContact CE2-CD2 3.76Å; F42-L149 HydrophobicContact CE2-CG 4.44Å; V48-L149 HydrophobicContact CG1-CD1 4.44Å; F72-L149 HydrophobicContact CD2-CD1 4.21Å; F72-L149 HydrophobicContact CE2-CD1 3.73Å; Y130-L149 PolarHBondContact O-N 3.5Å; L132-L149 HydrophobicContact CG-CD1 4.24Å
150I98.3Very high91.4Very high3 Ų367.7 Ų67.72%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-104131.4172-68.8162.2000108.8A27 L29 H39 Y40 L41 F42A27-I150 HydrophobicContact CB-CB 4.18Å; A27-I150 HydrophobicContact CB-CD1 3.86Å; A27-I150 HydrophobicContact CB-CG2 3.79Å; A27-I150 WeakPolarHBondContact O-CD1 3.48Å; L29-I150 HydrophobicContact CB-CD1 3.7Å; L29-I150 HydrophobicContact CB-CG1 4.19Å; L29-I150 HydrophobicContact CD2-CG1 4.47Å; H39-I150 HydrophobicContact CB-CD1 3.81Å; H39-I150 HydrophobicContact CB-CG1 3.94Å; Y40-I150 PolarHBondContact O-N 2.86Å; L41-I150 CarbonylContact C-O 3.36Å; L41-I150 WeakPolarHBondContact CA-O 3.45Å; L41-I150 HydrophobicContact CD1-CG2 4.07Å; F42-I150 PolarHBondContact N-O 3.45Å
151V98.3Very high91.4Very high1 Ų162.2 Ų62.21%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-109.7129.7171.9176.50000108.8F42 K116 Y118 E119 S120 Y130F42-V151 HydrophobicContact CB-CG2 4.36Å; F42-V151 WeakPolarHBondContact O-CA 3.22Å; K116-V151 HydrophobicContact CB-CG1 3.78Å; K116-V151 HydrophobicContact CB-CG2 4.08Å; K116-V151 HydrophobicContact CD-CG1 4.44Å; K116-V151 HydrophobicContact CD-CG2 3.66Å; K116-V151 HydrophobicContact CG-CG2 4.26Å; Y118-V151 WeakPolarHBondContact O-CG1 3.3Å; E119-V151 WeakPolarHBondContact CA-O 3.42Å; E119-V151 WeakPolarHBondContact CG-O 3.47Å; S120-V151 PolarHBondContact N-O 2.68Å; S120-V151 PolarHBondContact OG-N 3.09Å; Y130-V151 HydrophobicContact CD1-CG2 4.15Å; Y130-V151 HydrophobicContact CD2-CB 3.74Å; Y130-V151 HydrophobicContact CD2-CG2 3.31Å; Y130-V151 HydrophobicContact CE1-CG2 4.32Å; Y130-V151 HydrophobicContact CE2-CB 3.58Å; Y130-V151 HydrophobicContact CE2-CG1 4.19Å; Y130-V151 HydrophobicContact CE2-CG2 3.52Å; Y130-V151 HydrophobicContact CG-CG2 3.63Å
152H97.4Very high91.2Very high28 Ų2863.6 Ų63.613%0.1333%0.33CS..  trans-107.5141.6167-78.2159000110.5L41 F42 Y43 E119 R296L41-H152 HydrophobicContact CD1-CB 3.9Å; L41-H152 WeakPolarHBondContact CD1-ND1 3.13Å; F42-H152 PolarHBondContact O-N 3Å; Y43-H152 HydrophobicContact CD1-CB 4.2Å; Y43-H152 VanDerWaalsContact CD1-O 3.26Å; Y43-H152 WeakPolarHBondContact CD1-O 3.39Å; Y43-H152 HydrophobicContact CE1-CB 3.73Å; E119-H152 IonicContact OE1-CD2 3.96Å; E119-H152 WeakPolarHBondContact OE2-CA 3.42Å; E119-H152 IonicContact OE2-CD2 3.45Å; H152-R296 VanDerWaalsContact CD2-CZ 3.48Å; H152-R296 PolarHBondContact CD2-NE 3.05Å; H152-R296 VanDerWaalsContact NE2-CZ 3.35Å; H152-R296 PolarHBondContact NE2-NH2 3.39Å
153Q93.9Very high91Very high98 Ų9864 Ų6446%0.45834%0.337SS..  trans-102.5113.2171.7-168167.639.200109.1P117 E119 R296P117-Q153 PolarHBondContact O-NE2 2.98Å; E119-Q153 HydrophobicContact CB-CB 3.96Å; E119-Q153 PolarHBondContact OE2-N 3.45Å; Q153-R296 WeakPolarHBondContact O-CB 3.45Å
154L89.4Confident91Very high54 Ų5463.5 Ų63.528%0.28333%0.334SS..  trans-86.6135.9179.7-60-178.9000110.3Y43 R296 A298 L302Y43-L154 HydrophobicContact CD1-CD1 3.82Å; Y43-L154 HydrophobicContact CD1-CD2 4.42Å; Y43-L154 HydrophobicContact CD1-CG 3.74Å; Y43-L154 HydrophobicContact CE1-CD1 3.5Å; Y43-L154 HydrophobicContact CE1-CD2 3.69Å; Y43-L154 HydrophobicContact CE1-CG 3.46Å; Y43-L154 VanDerWaalsContact CE1-CG 3.46Å; L154-R296 HydrophobicContact CD2-CG 3.94Å; L154-A298 HydrophobicContact CB-CB 4.15Å; L154-A298 HydrophobicContact CD1-CB 4.04Å; L154-L302 HydrophobicContact CD1-CD1 4.08Å
155A84.3Confident90.8Very high41 Ų4164.1 Ų64.134%0.33933%0.333SS..BIsolated β-bridgetrans-112.4154.4167.400000110.7W295 R296 A298A155-W295 HydrophobicContact CB-CB 4.19Å; A155-W295 HydrophobicContact CB-CD2 4.48Å; A155-W295 HydrophobicContact CB-CE3 3.87Å; A155-W295 WeakPolarHBondContact O-CZ3 3.23Å; A155-R296 PolarHBondContact N-O 2.8Å; A155-A298 PolarHBondContact O-N 2.9Å
156T80.9Confident90.6Very high102 Ų10259.7 Ų59.763%0.62631%0.314SS*.PPolyproline II helixtrans-89.7172.9166.857.50000109.7
157Y80.1Confident90.2Very high105 Ų10560.1 Ų60.141%0.41232%0.316SS..PPolyproline II helixtrans-58.4134.8176.1-79.6-88.9000109.7W295 K297 R303Y157-W295 AromaticContact CD1-CH2 3.73Å; Y157-W295 HydrophobicContact CD1-CH2 3.73Å; Y157-W295 AromaticContact CD1-CZ2 3.78Å; Y157-W295 HydrophobicContact CD1-CZ2 3.78Å; Y157-W295 HydrophobicContact CD2-CH2 4.05Å; Y157-W295 AromaticContact CE1-CH2 3.92Å; Y157-W295 HydrophobicContact CE1-CH2 3.92Å; Y157-W295 HydrophobicContact CE1-CZ2 4Å; Y157-W295 HydrophobicContact CE2-CH2 4.23Å; Y157-W295 AromaticContact CG-CH2 3.81Å; Y157-W295 HydrophobicContact CG-CH2 3.81Å; Y157-W295 HydrophobicContact CG-CZ2 4.26Å; Y157-K297 HydrophobicContact CE2-CD 4.38Å; Y157-K297 WeakPolarHBondContact OH-CE 3.49Å; Y157-K297 PolarHBondContact OH-NZ 2.87Å; Y157-R303 VanDerWaalsContact CE2-NH1 3.33Å
158P79.8Confident89.7Confident34 Ų3458.2 Ų58.222%0.22131%0.31CS..PPolyproline II helixtrans-66140.5176.827.6-33.8000110.3V160 N161 K184P158-V160 PolarHBondContact O-N 2.8Å; P158-N161 HydrophobicContact CG-CB 4.2Å; P158-K184 HydrophobicContact CB-CD 3.4Å; P158-K184 HydrophobicContact CG-CB 3.98Å; P158-K184 HydrophobicContact CG-CD 3.62Å; P158-K184 HydrophobicContact CG-CG 4.41Å
159D76.8Confident89.2Confident170 Ų17059.1 Ų59.191%0.90933%0.33SS*.SBendtrans-62.3-33.4179.5-55-54.2000112.1
160V82.6Confident88.6Confident82 Ų8261.2 Ų61.250%0.49734%0.34SS..  trans-124.3126.7177.6-176.60000110P158 N162 K184P158-V160 PolarHBondContact O-N 2.8Å; V160-N162 WeakPolarHBondContact CG1-OD1 3.3Å; V160-K184 PolarHBondContact O-NZ 2.9Å
161N88.3Confident88.1Confident49 Ų4969.3 Ų69.326%0.26238%0.378SS..  trans-144.579.7177.9-158.80.7000110.9P158 K182 S183 K184P158-N161 HydrophobicContact CG-CB 4.2Å; N161-K182 WeakPolarHBondContact ND2-CG 3.42Å; N161-K182 WeakPolarHBondContact OD1-CA 3.37Å; N161-K182 VanDerWaalsContact OD1-CB 3.23Å; N161-K182 WeakPolarHBondContact OD1-CB 3.5Å; N161-S183 PolarHBondContact OD1-N 3.07Å; N161-S183 PolarHBondContact OD1-OG 2.88Å; N161-K184 PolarHBondContact ND2-O 3.04Å; N161-K184 PolarHBondContact OD1-N 2.84Å
162N89.6Confident87.6Confident107 Ų10774.3 Ų74.357%0.57241%0.405SS*.  trans-77.4153.8-177.3-58.3-25.5000111.2V160 K182 S183V160-N162 WeakPolarHBondContact CG1-OD1 3.3Å; N162-K182 CarbonylContact O-C 3.51Å; N162-K182 WeakPolarHBondContact O-CA 3.26Å; N162-S183 PolarHBondContact O-N 2.95Å
163S91.3Very high87.2Confident66 Ų6675.1 Ų75.146%0.46241%0.413SS..  trans-62.2151.6162.557.60000109.8Y180S163-Y180 CarbonylContact C-O 3.6Å; S163-Y180 WeakPolarHBondContact CA-O 3.39Å; S163-Y180 VanDerWaalsContact CB-O 3.25Å; S163-Y180 WeakPolarHBondContact CB-O 3.33Å
164I93.8Very high87.1Confident30 Ų3070.6 Ų70.615%0.15439%0.392CS..EExtended strand (participates in β ladder)trans-118.7141.1173.6-60.9174.7000108.5E179 Y180 Q290I164-E179 WeakPolarHBondContact O-CA 3.33Å; I164-Y180 HydrophobicContact CB-CD2 4.22Å; I164-Y180 HydrophobicContact CB-CE1 3.95Å; I164-Y180 HydrophobicContact CB-CE2 3.6Å; I164-Y180 VanDerWaalsContact CB-CZ 3.44Å; I164-Y180 HydrophobicContact CD1-CE2 3.73Å; I164-Y180 VanDerWaalsContact CD1-OH 3.32Å; I164-Y180 WeakPolarHBondContact CD1-OH 3.22Å; I164-Y180 HydrophobicContact CG1-CE2 4Å; I164-Y180 HydrophobicContact CG2-CE1 4.01Å; I164-Y180 HydrophobicContact CG2-CE2 4.36Å; I164-Y180 WeakPolarHBondContact CG2-OH 3.48Å; I164-Y180 PolarHBondContact N-O 3.46Å; I164-Y180 PolarHBondContact O-N 3.48Å; I164-Q290 HydrophobicContact CD1-CG 4.38Å; I164-Q290 HydrophobicContact CG2-CG 3.93Å
165K94Very high87.3Confident110 Ų11071.1 Ų71.148%0.47839%0.393SS..EExtended strand (participates in β ladder)trans-112.5119.9174.5-164.7-174.6-156.2-134.90108.7E167 E177K165-E167 WeakPolarHBondContact CE-OE1 3.23Å; K165-E167 IonicContact NZ-OE1 3.8Å; K165-E167 PolarHBondContact NZ-OE1 2.96Å; K165-E177 HydrophobicContact CD-CG 4.42Å; K165-E177 WeakPolarHBondContact CE-OE1 3.42Å; K165-E177 WeakPolarHBondContact CE-OE2 3.5Å; K165-E177 HydrophobicContact CG-CG 3.92Å; K165-E177 IonicContact NZ-OE1 3.73Å; K165-E177 IonicContact NZ-OE2 3.12Å; K165-E177 PolarHBondContact NZ-OE2 3.48Å
166M92.8Very high87.7Confident3 Ų369.1 Ų69.12%0.01538%0.377CS..EExtended strand (participates in β ladder)trans-116.4122.5177.8-177.5168.263.700109.2F178 L276 K288 Q290M166-F178 HydrophobicContact CE-CD1 3.77Å; M166-F178 HydrophobicContact CE-CE1 4.48Å; M166-F178 PolarHBondContact N-O 2.88Å; M166-F178 PolarHBondContact O-N 2.86Å; M166-L276 HydrophobicContact CE-CB 3.53Å; M166-K288 WeakPolarHBondContact CE-O 3.38Å; M166-K288 HydrophobicContact CG-CB 4Å; M166-K288 HydrophobicContact CG-CG 3.39Å; M166-K288 VanDerWaalsContact SD-C 3.58Å; M166-K288 HydrophobicContact SD-CB 3.84Å; M166-K288 HydrophobicContact SD-CG 3.54Å; M166-K288 VanDerWaalsContact SD-CG 3.54Å; M166-Q290 HydrophobicContact SD-CB 3.66Å
167E89.9Confident88.4Confident83 Ų8365.4 Ų65.439%0.38835%0.352SS..EExtended strand (participates in β ladder)trans-111.8134.3-176.5-66173.7-178.900110.8K165 I176 E177K165-E167 WeakPolarHBondContact CE-OE1 3.23Å; K165-E167 IonicContact NZ-OE1 3.8Å; K165-E167 PolarHBondContact NZ-OE1 2.96Å; E167-I176 WeakPolarHBondContact CA-O 3.26Å; E167-E177 HydrophobicContact CG-CB 4.39Å; E167-E177 HydrophobicContact CG-CG 4.43Å
168V88Confident89.2Confident12 Ų1260.4 Ų60.47%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-112.9112.5168.5-176.40000106.8I176 L276 L278 K288V168-I176 PolarHBondContact N-O 2.98Å; V168-I176 PolarHBondContact O-N 2.72Å; V168-L276 HydrophobicContact CG2-CD2 3.9Å; V168-L278 HydrophobicContact CB-CD1 4.25Å; V168-L278 HydrophobicContact CG1-CD1 3.96Å; V168-L278 HydrophobicContact CG2-CD1 4.05Å; V168-K288 HydrophobicContact CG2-CB 3.58Å
169G85.1Confident90Very high57 Ų5762.1 Ų62.159%0.58834%0.337SS*.EExtended strand (participates in β ladder)trans-130.3134.4-175.300000112L174G169-L174 CarbonylContact C-O 3.54Å; G169-L174 VanDerWaalsContact CA-O 3.28Å; G169-L174 WeakPolarHBondContact CA-O 3.43Å
170I86.8Confident90.9Very high51 Ų5154.1 Ų54.126%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-122.3124.8162.7-53.1166.1000105.3D172 C173 L174 I202 Y286I170-D172 PolarHBondContact O-N 2.69Å; I170-C173 HydrophobicContact CB-CB 4.05Å; I170-C173 HydrophobicContact CG2-CB 3.87Å; I170-C173 PolarHBondContact O-N 2.8Å; I170-C173 VanDerWaalsContact O-N 3.08Å; I170-L174 HydrophobicContact CB-CB 4.18Å; I170-L174 HydrophobicContact CD1-CB 4.07Å; I170-L174 HydrophobicContact CD1-CD2 4.18Å; I170-L174 HydrophobicContact CG1-CB 4.24Å; I170-L174 PolarHBondContact N-O 3.07Å; I170-L174 PolarHBondContact O-N 3.01Å; I170-I202 HydrophobicContact CD1-CD1 3.93Å; I170-Y286 HydrophobicContact CD1-CD1 3.57Å; I170-Y286 HydrophobicContact CD1-CD2 4.43Å; I170-Y286 HydrophobicContact CD1-CE1 3.16Å; I170-Y286 HydrophobicContact CD1-CE2 4.08Å; I170-Y286 HydrophobicContact CD1-CG 4.18Å; I170-Y286 VanDerWaalsContact CD1-CZ 3.43Å; I170-Y286 HydrophobicContact CG1-CD1 4.23Å; I170-Y286 HydrophobicContact CG1-CE1 4.11Å
171E88.3Confident91.6Very high173 Ų17353 Ų5381%0.80829%0.286SS*.THydrogen-bonded Turntrans-49.5132.3-179.1-169.4170.9-163.900111.1C173E171-C173 PolarHBondContact O-N 2.85Å
172D87.4Confident91.9Very high106 Ų10653.1 Ų53.157%0.56728%0.284SS*.THydrogen-bonded Turntrans553.1-178.4-72-44.3000117.9I170 R201I170-D172 PolarHBondContact O-N 2.69Å; D172-R201 VanDerWaalsContact O-CD 3.23Å; D172-R201 WeakPolarHBondContact O-CD 3.41Å; D172-R201 PolarHBondContact O-NH1 3.03Å
173C88.8Confident92.2Very high45 Ų4549.3 Ų49.330%0.30427%0.266SS..THydrogen-bonded Turntrans-121.5-46.5-171-78.10000113.6I170 E171 R201 I202I170-C173 HydrophobicContact CB-CB 4.05Å; I170-C173 HydrophobicContact CG2-CB 3.87Å; I170-C173 PolarHBondContact O-N 2.8Å; I170-C173 VanDerWaalsContact O-N 3.08Å; E171-C173 PolarHBondContact O-N 2.85Å; C173-R201 WeakPolarHBondContact O-CA 3.24Å; C173-R201 WeakPolarHBondContact O-CB 3.14Å; C173-R201 PolarHBondContact O-N 2.89Å; C173-I202 HydrophobicContact CB-CD1 3.71Å; C173-I202 HydrophobicContact CB-CG1 3.99Å
174L90.9Very high92.5Very high3 Ų349.3 Ų49.32%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-148.3131.9-172.2-173.467.4000109.8G169 I170 I176 L199 I204G169-L174 CarbonylContact C-O 3.54Å; G169-L174 VanDerWaalsContact CA-O 3.28Å; G169-L174 WeakPolarHBondContact CA-O 3.43Å; I170-L174 HydrophobicContact CB-CB 4.18Å; I170-L174 HydrophobicContact CD1-CB 4.07Å; I170-L174 HydrophobicContact CD1-CD2 4.18Å; I170-L174 HydrophobicContact CG1-CB 4.24Å; I170-L174 PolarHBondContact N-O 3.07Å; I170-L174 PolarHBondContact O-N 3.01Å; L174-I176 HydrophobicContact CD1-CD1 3.67Å; L174-I176 HydrophobicContact CD1-CG1 4Å; L174-I176 HydrophobicContact CD2-CD1 4.41Å; L174-I176 HydrophobicContact CG-CD1 4.19Å; L174-I176 HydrophobicContact CG-CG1 4.35Å; L174-L199 CarbonylContact C-O 3.55Å; L174-L199 WeakPolarHBondContact CA-O 3.3Å; L174-I204 HydrophobicContact CD1-CD1 4.09Å
175H93.4Very high92.6Very high64 Ų6447.9 Ų47.930%0.29625%0.25SS..EExtended strand (participates in β ladder)trans-144.7107.6170.1-171-179.2000108.4L198 L199H175-L198 HydrophobicContact CB-CB 4.15Å; H175-L198 WeakPolarHBondContact O-CA 3.45Å; H175-L198 WeakPolarHBondContact O-CB 3.34Å; H175-L198 PolarHBondContact O-N 2.83Å; H175-L199 HydrophobicContact CB-CB 3.75Å; H175-L199 PolarHBondContact N-O 3.14Å; H175-L199 PolarHBondContact O-N 3.4Å
176I93.6Very high92.8Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-122.3137.7179-65.8172.1000108.7E167 V168 L174 I195 Y196 F197 I204 L276 L278E167-I176 WeakPolarHBondContact CA-O 3.26Å; V168-I176 PolarHBondContact N-O 2.98Å; V168-I176 PolarHBondContact O-N 2.72Å; L174-I176 HydrophobicContact CD1-CD1 3.67Å; L174-I176 HydrophobicContact CD1-CG1 4Å; L174-I176 HydrophobicContact CD2-CD1 4.41Å; L174-I176 HydrophobicContact CG-CD1 4.19Å; L174-I176 HydrophobicContact CG-CG1 4.35Å; I176-I195 HydrophobicContact CG2-CG2 3.57Å; I176-Y196 WeakPolarHBondContact CA-O 3.23Å; I176-F197 HydrophobicContact CD1-CD1 3.65Å; I176-F197 HydrophobicContact CD1-CE1 3.58Å; I176-F197 HydrophobicContact CG1-CD1 3.67Å; I176-F197 HydrophobicContact CG1-CE1 4.04Å; I176-I204 HydrophobicContact CD1-CD1 3.87Å; I176-L276 HydrophobicContact CG2-CD2 4.44Å; I176-L278 HydrophobicContact CD1-CD2 3.29Å
177E95.3Very high93Very high23 Ų2344.9 Ų44.911%0.10724%0.238CC..EExtended strand (participates in β ladder)trans-119.8127.8178.7171.8-173.6145.900109.1K165 E167 I195 Y196 L198K165-E177 HydrophobicContact CD-CG 4.42Å; K165-E177 WeakPolarHBondContact CE-OE1 3.42Å; K165-E177 WeakPolarHBondContact CE-OE2 3.5Å; K165-E177 HydrophobicContact CG-CG 3.92Å; K165-E177 IonicContact NZ-OE1 3.73Å; K165-E177 IonicContact NZ-OE2 3.12Å; K165-E177 PolarHBondContact NZ-OE2 3.48Å; E167-E177 HydrophobicContact CG-CB 4.39Å; E167-E177 HydrophobicContact CG-CG 4.43Å; E177-I195 CarbonylContact O-C 3.59Å; E177-I195 VanDerWaalsContact O-CA 3.28Å; E177-I195 WeakPolarHBondContact O-CA 3.19Å; E177-Y196 HydrophobicContact CB-CD2 4.48Å; E177-Y196 HydrophobicContact CG-CD2 4.17Å; E177-Y196 PolarHBondContact N-O 2.84Å; E177-Y196 PolarHBondContact O-N 2.79Å; E177-L198 HydrophobicContact CB-CD1 4.26Å
178F96.3Very high93.2Very high1 Ų148.6 Ų48.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-113.8112.2169.9174.5-133.8000109.6M166 Y180 I195 L209 I248 L274 L276M166-F178 HydrophobicContact CE-CD1 3.77Å; M166-F178 HydrophobicContact CE-CE1 4.48Å; M166-F178 PolarHBondContact N-O 2.88Å; M166-F178 PolarHBondContact O-N 2.86Å; F178-Y180 AromaticContact CD1-CD1 3.76Å; F178-Y180 HydrophobicContact CD1-CD1 3.76Å; F178-Y180 HydrophobicContact CD1-CE1 4.16Å; F178-Y180 AromaticContact CE1-CD1 3.4Å; F178-Y180 HydrophobicContact CE1-CD1 3.4Å; F178-Y180 AromaticContact CE1-CE1 3.95Å; F178-Y180 HydrophobicContact CE1-CE1 3.95Å; F178-Y180 HydrophobicContact CE1-CG 4.23Å; F178-Y180 HydrophobicContact CE2-CD1 4.43Å; F178-Y180 HydrophobicContact CG-CD1 4.42Å; F178-Y180 AromaticContact CZ-CD1 3.78Å; F178-Y180 HydrophobicContact CZ-CD1 3.78Å; F178-Y180 HydrophobicContact CZ-CG 4.21Å; F178-I195 HydrophobicContact CB-CG1 4.19Å; F178-I195 HydrophobicContact CD2-CD1 4.46Å; F178-I195 HydrophobicContact CD2-CG1 3.61Å; F178-I195 HydrophobicContact CE2-CG1 4.38Å; F178-I195 HydrophobicContact CG-CG1 4.17Å; F178-L209 HydrophobicContact CD1-CD1 4.38Å; F178-L209 HydrophobicContact CE1-CD1 3.83Å; F178-L209 HydrophobicContact CE1-CD2 4.05Å; F178-L209 HydrophobicContact CZ-CD1 4.42Å; F178-L209 HydrophobicContact CZ-CD2 3.81Å; F178-I248 HydrophobicContact CE2-CB 4.28Å; F178-I248 HydrophobicContact CE2-CG1 4.13Å; F178-L274 HydrophobicContact CE1-CD1 4.12Å; F178-L276 HydrophobicContact CB-CD2 4.07Å
179E97.3Very high93.7Very high69 Ų6949 Ų4932%0.32226%0.255SS..EExtended strand (participates in β ladder)trans-101.4136.1174.1-173-174.5-168.600109.7I164 G193 K194 Y196I164-E179 WeakPolarHBondContact O-CA 3.33Å; E179-G193 CarbonylContact O-C 3.47Å; E179-G193 WeakPolarHBondContact O-CA 3.31Å; E179-K194 PolarHBondContact N-O 2.78Å; E179-K194 PolarHBondContact O-N 2.9Å; E179-Y196 HydrophobicContact CB-CE2 4.21Å
180Y96.8Very high94.3Very high2 Ų247.9 Ų47.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-138.6152173.255.9-90.8000112.6S163 I164 F178 K182 Y185 V192 L274 Q290 I292S163-Y180 CarbonylContact C-O 3.6Å; S163-Y180 WeakPolarHBondContact CA-O 3.39Å; S163-Y180 VanDerWaalsContact CB-O 3.25Å; S163-Y180 WeakPolarHBondContact CB-O 3.33Å; I164-Y180 HydrophobicContact CB-CD2 4.22Å; I164-Y180 HydrophobicContact CB-CE1 3.95Å; I164-Y180 HydrophobicContact CB-CE2 3.6Å; I164-Y180 VanDerWaalsContact CB-CZ 3.44Å; I164-Y180 HydrophobicContact CD1-CE2 3.73Å; I164-Y180 VanDerWaalsContact CD1-OH 3.32Å; I164-Y180 WeakPolarHBondContact CD1-OH 3.22Å; I164-Y180 HydrophobicContact CG1-CE2 4Å; I164-Y180 HydrophobicContact CG2-CE1 4.01Å; I164-Y180 HydrophobicContact CG2-CE2 4.36Å; I164-Y180 WeakPolarHBondContact CG2-OH 3.48Å; I164-Y180 PolarHBondContact N-O 3.46Å; I164-Y180 PolarHBondContact O-N 3.48Å; F178-Y180 AromaticContact CD1-CD1 3.76Å; F178-Y180 HydrophobicContact CD1-CD1 3.76Å; F178-Y180 HydrophobicContact CD1-CE1 4.16Å; F178-Y180 AromaticContact CE1-CD1 3.4Å; F178-Y180 HydrophobicContact CE1-CD1 3.4Å; F178-Y180 AromaticContact CE1-CE1 3.95Å; F178-Y180 HydrophobicContact CE1-CE1 3.95Å; F178-Y180 HydrophobicContact CE1-CG 4.23Å; F178-Y180 HydrophobicContact CE2-CD1 4.43Å; F178-Y180 HydrophobicContact CG-CD1 4.42Å; F178-Y180 AromaticContact CZ-CD1 3.78Å; F178-Y180 HydrophobicContact CZ-CD1 3.78Å; F178-Y180 HydrophobicContact CZ-CG 4.21Å; Y180-K182 WeakPolarHBondContact CD2-O 3.31Å; Y180-K182 VanDerWaalsContact CE2-O 3.23Å; Y180-K182 WeakPolarHBondContact CE2-O 3.26Å; Y180-K182 PolarHBondContact O-N 2.92Å; Y180-Y185 HydrophobicContact CD2-CE2 4.49Å; Y180-Y185 WeakPolarHBondContact CD2-OH 3.45Å; Y180-V192 WeakPolarHBondContact CA-O 2.99Å; Y180-L274 HydrophobicContact CD1-CD1 4.15Å; Y180-L274 HydrophobicContact CD2-CD1 4.2Å; Y180-L274 HydrophobicContact CE1-CD1 4Å; Y180-L274 HydrophobicContact CE2-CD1 4.01Å; Y180-L274 HydrophobicContact CG-CD1 4.23Å; Y180-Q290 WeakPolarHBondContact OH-CG 3.49Å; Y180-I292 HydrophobicContact CE2-CG2 3.92Å
181N95.5Very high94.8Very high59 Ų5945.5 Ų45.532%0.31622%0.224SC..SBendtrans-71-20.5-157.464.6-39.9000116.1Y185 V192N181-Y185 PolarHBondContact OD1-OH 3.43Å; N181-V192 WeakPolarHBondContact CB-O 3.44Å; N181-V192 PolarHBondContact N-O 2.89Å; N181-V192 PolarHBondContact OD1-N 2.82Å; N181-V192 VanDerWaalsContact OD1-N 3.08Å; N181-V192 PolarHBondContact OD1-O 3.35Å
182K95.7Very high95.2Very high51 Ų5140.1 Ų40.122%0.22220%0.203CC..  trans-147.6152.7-173.5-64168.4-172.9165.90111.5N161 N162 Y180 Y185 D189N161-K182 WeakPolarHBondContact ND2-CG 3.42Å; N161-K182 WeakPolarHBondContact OD1-CA 3.37Å; N161-K182 VanDerWaalsContact OD1-CB 3.23Å; N161-K182 WeakPolarHBondContact OD1-CB 3.5Å; N162-K182 CarbonylContact O-C 3.51Å; N162-K182 WeakPolarHBondContact O-CA 3.26Å; Y180-K182 WeakPolarHBondContact CD2-O 3.31Å; Y180-K182 VanDerWaalsContact CE2-O 3.23Å; Y180-K182 WeakPolarHBondContact CE2-O 3.26Å; Y180-K182 PolarHBondContact O-N 2.92Å; K182-Y185 HydrophobicContact CB-CD1 4.29Å; K182-Y185 HydrophobicContact CB-CE1 3.69Å; K182-Y185 HydrophobicContact CB-CE2 4Å; K182-Y185 HydrophobicContact CD-CD1 3.99Å; K182-Y185 HydrophobicContact CD-CE1 3.8Å; K182-Y185 HydrophobicContact CG-CE1 4.23Å; K182-Y185 PolarHBondContact N-OH 2.98Å; K182-Y185 VanDerWaalsContact N-OH 3.12Å; K182-Y185 WeakPolarHBondContact O-CE2 3.38Å; K182-Y185 PolarHBondContact O-OH 2.98Å; K182-D189 VanDerWaalsContact NZ-CG 3.33Å; K182-D189 IonicContact NZ-OD1 2.96Å; K182-D189 PolarHBondContact NZ-OD1 2.99Å; K182-D189 IonicContact NZ-OD2 3.45Å; K182-D189 PolarHBondContact NZ-OD2 3.38Å
183S95.3Very high95.7Very high28 Ų2835.6 Ų35.620%0.19618%0.182CC..SBendtrans-90.6-18167.457.50000113.2N161 N162 V293N161-S183 PolarHBondContact OD1-N 3.07Å; N161-S183 PolarHBondContact OD1-OG 2.88Å; N162-S183 PolarHBondContact O-N 2.95Å; S183-V293 PolarHBondContact O-N 2.88Å
184K96.9Very high96Very high65 Ų6537 Ų3728%0.28318%0.183SC..EExtended strand (participates in β ladder)trans-130.6126.8-174.8-51.4174.5-178.9157.10110.5P158 V160 N161 V293P158-K184 HydrophobicContact CB-CD 3.4Å; P158-K184 HydrophobicContact CG-CB 3.98Å; P158-K184 HydrophobicContact CG-CD 3.62Å; P158-K184 HydrophobicContact CG-CG 4.41Å; V160-K184 PolarHBondContact O-NZ 2.9Å; N161-K184 PolarHBondContact ND2-O 3.04Å; N161-K184 PolarHBondContact OD1-N 2.84Å; K184-V293 CarbonylContact C-O 3.46Å; K184-V293 VanDerWaalsContact CA-O 3.26Å; K184-V293 WeakPolarHBondContact CA-O 3.46Å; K184-V293 HydrophobicContact CB-CB 4.38Å; K184-V293 HydrophobicContact CG-CB 4.02Å; K184-V293 HydrophobicContact CG-CG2 4.47Å
185Y97.3Very high96.3Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-128140.8-176-64.4-88000111.1Y180 N181 K182 D189 I191 L252 I292 V293 L294 W295Y180-Y185 HydrophobicContact CD2-CE2 4.49Å; Y180-Y185 WeakPolarHBondContact CD2-OH 3.45Å; N181-Y185 PolarHBondContact OD1-OH 3.43Å; K182-Y185 HydrophobicContact CB-CD1 4.29Å; K182-Y185 HydrophobicContact CB-CE1 3.69Å; K182-Y185 HydrophobicContact CB-CE2 4Å; K182-Y185 HydrophobicContact CD-CD1 3.99Å; K182-Y185 HydrophobicContact CD-CE1 3.8Å; K182-Y185 HydrophobicContact CG-CE1 4.23Å; K182-Y185 PolarHBondContact N-OH 2.98Å; K182-Y185 VanDerWaalsContact N-OH 3.12Å; K182-Y185 WeakPolarHBondContact O-CE2 3.38Å; K182-Y185 PolarHBondContact O-OH 2.98Å; Y185-D189 HydrophobicContact CD1-CB 4.06Å; Y185-I191 HydrophobicContact CD1-CG1 3.9Å; Y185-I191 HydrophobicContact CD2-CD1 4.35Å; Y185-I191 HydrophobicContact CD2-CG1 4.18Å; Y185-I191 HydrophobicContact CE1-CB 4.12Å; Y185-I191 HydrophobicContact CE1-CG1 3.7Å; Y185-I191 HydrophobicContact CE1-CG2 4.44Å; Y185-I191 HydrophobicContact CE2-CD1 4.22Å; Y185-I191 HydrophobicContact CE2-CG1 3.99Å; Y185-I191 HydrophobicContact CG-CG1 4.13Å; Y185-L252 HydrophobicContact CG-CD1 4.23Å; Y185-I292 HydrophobicContact CD2-CB 4.36Å; Y185-I292 HydrophobicContact CD2-CD1 4.24Å; Y185-I292 HydrophobicContact CE2-CG2 4.23Å; Y185-V293 PolarHBondContact N-O 3.31Å; Y185-L294 CarbonylContact O-C 3.52Å; Y185-L294 VanDerWaalsContact O-CA 3.3Å; Y185-L294 WeakPolarHBondContact O-CA 3.19Å; Y185-W295 PolarHBondContact O-N 2.82Å; Y185-W295 PolarHBondContact O-NE1 2.79Å
186H96.9Very high96.4Very high30 Ų3037 Ų3714%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-76.4158.8168.763.883.6000110.9K188 D189 W295 K297H186-K188 PolarHBondContact CE1-O 3.45Å; H186-K188 PolarHBondContact ND1-N 3.02Å; H186-K188 PolarHBondContact O-N 2.91Å; H186-D189 IonicContact CD2-OD2 3.58Å; H186-D189 PolarHBondContact CD2-OD2 3.37Å; H186-D189 VanDerWaalsContact CE1-CA 3.42Å; H186-D189 WeakPolarHBondContact CE1-CA 3.35Å; H186-D189 PolarHBondContact CE1-N 3.02Å; H186-D189 PolarHBondContact ND1-N 2.92Å; H186-D189 VanDerWaalsContact ND1-N 3.19Å; H186-D189 IonicContact NE2-OD1 3.01Å; H186-D189 IonicContact NE2-OD2 2.74Å; H186-D189 VanDerWaalsContact O-CB 3.22Å; H186-D189 WeakPolarHBondContact O-CB 3.4Å; H186-D189 PolarHBondContact O-N 3.24Å; H186-W295 CarbonylContact C-O 3.56Å; H186-W295 WeakPolarHBondContact CA-O 3.25Å; H186-W295 HydrophobicContact CB-CD2 4.08Å; H186-W295 HydrophobicContact CB-CE3 4.4Å; H186-W295 HydrophobicContact CB-CH2 4.29Å; H186-W295 HydrophobicContact CB-CZ2 3.92Å; H186-K297 HydrophobicContact CB-CB 3.88Å
187L96.8Very high96.4Very high20 Ų2037.1 Ų37.111%0.10518%0.181CC..THydrogen-bonded Turntrans-57.3-10.9-175.5-54.6179.7000116.1L257 T258 P259 L294 W295 R296L187-L257 HydrophobicContact CD2-CB 4.07Å; L187-T258 WeakPolarHBondContact CD2-O 3.43Å; L187-P259 HydrophobicContact CD1-CG 4.28Å; L187-L294 HydrophobicContact CD2-CB 4Å; L187-W295 PolarHBondContact N-O 2.98Å; L187-W295 VanDerWaalsContact N-O 3.09Å; L187-R296 HydrophobicContact CD1-CB 4.17Å; L187-R296 HydrophobicContact CD1-CG 4.26Å
188K96.1Very high96.3Very high161 Ų16139.2 Ų39.270%0.719%0.193SC*.THydrogen-bonded Turntrans-12414.9179.3-60.9-172.2177.2-170.80112.6H186 A253H186-K188 PolarHBondContact CE1-O 3.45Å; H186-K188 PolarHBondContact ND1-N 3.02Å; H186-K188 PolarHBondContact O-N 2.91Å; K188-A253 HydrophobicContact CB-CB 4.06Å; K188-A253 HydrophobicContact CG-CB 4.21Å
189D97Very high96.2Very high21 Ų2141.1 Ų41.111%0.11220%0.203CC..  trans-77.7177.6-178.1-150.8-21.3000110K182 Y185 H186 L252K182-D189 VanDerWaalsContact NZ-CG 3.33Å; K182-D189 IonicContact NZ-OD1 2.96Å; K182-D189 PolarHBondContact NZ-OD1 2.99Å; K182-D189 IonicContact NZ-OD2 3.45Å; K182-D189 PolarHBondContact NZ-OD2 3.38Å; Y185-D189 HydrophobicContact CD1-CB 4.06Å; H186-D189 IonicContact CD2-OD2 3.58Å; H186-D189 PolarHBondContact CD2-OD2 3.37Å; H186-D189 VanDerWaalsContact CE1-CA 3.42Å; H186-D189 WeakPolarHBondContact CE1-CA 3.35Å; H186-D189 PolarHBondContact CE1-N 3.02Å; H186-D189 PolarHBondContact ND1-N 2.92Å; H186-D189 VanDerWaalsContact ND1-N 3.19Å; H186-D189 IonicContact NE2-OD1 3.01Å; H186-D189 IonicContact NE2-OD2 2.74Å; H186-D189 VanDerWaalsContact O-CB 3.22Å; H186-D189 WeakPolarHBondContact O-CB 3.4Å; H186-D189 PolarHBondContact O-N 3.24Å; D189-L252 HydrophobicContact CB-CD1 4.36Å; D189-L252 VanDerWaalsContact O-CB 3.29Å; D189-L252 WeakPolarHBondContact O-CB 3.02Å; D189-L252 WeakPolarHBondContact O-CG 3.09Å; D189-L252 PolarHBondContact O-N 3.43Å
190V97.4Very high95.9Very high34 Ų3439.4 Ų39.421%0.20620%0.197CC..EExtended strand (participates in β ladder)trans-120.9125.9173.2-1740000108.3V192 R249 L250 F251V190-V192 HydrophobicContact CB-CG2 4.42Å; V190-V192 HydrophobicContact CG1-CG2 4.01Å; V190-V192 PolarHBondContact O-N 2.86Å; V190-R249 HydrophobicContact CG1-CB 4.35Å; V190-L250 WeakPolarHBondContact CA-O 3.01Å; V190-F251 HydrophobicContact CB-CD1 4.47Å; V190-F251 HydrophobicContact CG1-CD1 4.23Å; V190-F251 HydrophobicContact CG1-CE1 4.29Å; V190-F251 HydrophobicContact CG1-CG 4.4Å; V190-F251 HydrophobicContact CG2-CD1 3.42Å; V190-F251 VanDerWaalsContact CG2-CD1 3.42Å; V190-F251 HydrophobicContact CG2-CE1 3.69Å; V190-F251 HydrophobicContact CG2-CG 4.19Å
191I97.5Very high95.6Very high0 Ų047.3 Ų47.30%023%0.226CC..EExtended strand (participates in β ladder)trans-78.6114.3170.1-56.4-175.8000106.7Y185 R249 L250 L252 L274 I292Y185-I191 HydrophobicContact CD1-CG1 3.9Å; Y185-I191 HydrophobicContact CD2-CD1 4.35Å; Y185-I191 HydrophobicContact CD2-CG1 4.18Å; Y185-I191 HydrophobicContact CE1-CB 4.12Å; Y185-I191 HydrophobicContact CE1-CG1 3.7Å; Y185-I191 HydrophobicContact CE1-CG2 4.44Å; Y185-I191 HydrophobicContact CE2-CD1 4.22Å; Y185-I191 HydrophobicContact CE2-CG1 3.99Å; Y185-I191 HydrophobicContact CG-CG1 4.13Å; I191-R249 WeakPolarHBondContact O-CA 3.48Å; I191-L250 HydrophobicContact CB-CB 4.23Å; I191-L250 HydrophobicContact CD1-CD2 4.36Å; I191-L250 PolarHBondContact N-O 2.97Å; I191-L250 PolarHBondContact O-N 3.16Å; I191-L252 HydrophobicContact CD1-CD1 4.44Å; I191-L252 HydrophobicContact CD1-CD2 3.93Å; I191-L252 HydrophobicContact CD1-CG 4.49Å; I191-L252 HydrophobicContact CG1-CD1 4.24Å; I191-L252 HydrophobicContact CG1-CD2 4.2Å; I191-L252 HydrophobicContact CG1-CG 4.26Å; I191-L274 HydrophobicContact CD1-CD1 4.15Å; I191-L274 HydrophobicContact CD1-CD2 3.83Å; I191-L274 HydrophobicContact CD1-CG 4.38Å; I191-L274 HydrophobicContact CG2-CD1 4.11Å; I191-I292 HydrophobicContact CD1-CD1 3.74Å
192V97.5Very high95.3Very high61 Ų6145.8 Ų45.837%0.3722%0.218SC..EExtended strand (participates in β ladder)trans-111121179-177.50000107.5Y180 N181 V190 I248Y180-V192 WeakPolarHBondContact CA-O 2.99Å; N181-V192 WeakPolarHBondContact CB-O 3.44Å; N181-V192 PolarHBondContact N-O 2.89Å; N181-V192 PolarHBondContact OD1-N 2.82Å; N181-V192 VanDerWaalsContact OD1-N 3.08Å; N181-V192 PolarHBondContact OD1-O 3.35Å; V190-V192 HydrophobicContact CB-CG2 4.42Å; V190-V192 HydrophobicContact CG1-CG2 4.01Å; V190-V192 PolarHBondContact O-N 2.86Å; V192-I248 WeakPolarHBondContact CA-O 3.29Å
193G97Very high95Very high11 Ų1149.2 Ų49.211%0.11323%0.233CC..EExtended strand (participates in β ladder)trans-148.1-178-178.800000112.9E179 I248E179-G193 CarbonylContact O-C 3.47Å; E179-G193 WeakPolarHBondContact O-CA 3.31Å; G193-I248 PolarHBondContact N-O 3.06Å; G193-I248 PolarHBondContact O-N 2.82Å
194K96.4Very high94.7Very high75 Ų7548.2 Ų48.233%0.32623%0.225SC..EExtended strand (participates in β ladder)trans-149.6133.6-179.5-171.7165.1171-1710109.4E179 Y196 S245 I246E179-K194 PolarHBondContact N-O 2.78Å; E179-K194 PolarHBondContact O-N 2.9Å; K194-Y196 HydrophobicContact CB-CE2 4.04Å; K194-Y196 HydrophobicContact CD-CE1 3.75Å; K194-Y196 HydrophobicContact CD-CE2 4.32Å; K194-Y196 WeakPolarHBondContact CD-OH 3.15Å; K194-Y196 HydrophobicContact CG-CD2 4.5Å; K194-Y196 HydrophobicContact CG-CE1 4.05Å; K194-Y196 HydrophobicContact CG-CE2 4Å; K194-S245 WeakPolarHBondContact CE-OG 3.25Å; K194-S245 PolarHBondContact NZ-OG 2.79Å; K194-I246 WeakPolarHBondContact CA-O 2.94Å
195I95.8Very high94.4Very high1 Ų149.3 Ų49.31%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-97.9134.2174-61.8177000108I176 E177 F178 F197 M207 I235 S245 I246 I248 L276I176-I195 HydrophobicContact CG2-CG2 3.57Å; E177-I195 CarbonylContact O-C 3.59Å; E177-I195 VanDerWaalsContact O-CA 3.28Å; E177-I195 WeakPolarHBondContact O-CA 3.19Å; F178-I195 HydrophobicContact CB-CG1 4.19Å; F178-I195 HydrophobicContact CD2-CD1 4.46Å; F178-I195 HydrophobicContact CD2-CG1 3.61Å; F178-I195 HydrophobicContact CE2-CG1 4.38Å; F178-I195 HydrophobicContact CG-CG1 4.17Å; I195-F197 HydrophobicContact CG2-CE1 4.35Å; I195-F197 HydrophobicContact CG2-CE2 4.05Å; I195-F197 HydrophobicContact CG2-CZ 3.93Å; I195-M207 HydrophobicContact CD1-CE 3.73Å; I195-M207 HydrophobicContact CD1-SD 4.25Å; I195-M207 HydrophobicContact CG2-CE 4.31Å; I195-I235 HydrophobicContact CD1-CD1 3.47Å; I195-I235 VanDerWaalsContact CD1-CD1 3.47Å; I195-I235 HydrophobicContact CD1-CG1 4.48Å; I195-I235 HydrophobicContact CD1-CG2 4.25Å; I195-S245 CarbonylContact O-C 3.6Å; I195-S245 WeakPolarHBondContact O-CA 3.28Å; I195-S245 WeakPolarHBondContact O-CB 3.47Å; I195-I246 PolarHBondContact N-O 2.81Å; I195-I246 PolarHBondContact O-N 2.82Å; I195-I248 HydrophobicContact CD1-CD1 4.11Å; I195-I248 HydrophobicContact CD1-CG1 4.12Å; I195-I248 HydrophobicContact CG1-CG1 4.12Å; I195-L276 HydrophobicContact CD1-CD1 4.15Å
196Y95.9Very high94.1Very high65 Ų6551.4 Ų51.426%0.25524%0.241SC..EExtended strand (participates in β ladder)trans-120130177.2-56.7-89.7000109.9I176 E177 E179 K194I176-Y196 WeakPolarHBondContact CA-O 3.23Å; E177-Y196 HydrophobicContact CB-CD2 4.48Å; E177-Y196 HydrophobicContact CG-CD2 4.17Å; E177-Y196 PolarHBondContact N-O 2.84Å; E177-Y196 PolarHBondContact O-N 2.79Å; E179-Y196 HydrophobicContact CB-CE2 4.21Å; K194-Y196 HydrophobicContact CB-CE2 4.04Å; K194-Y196 HydrophobicContact CD-CE1 3.75Å; K194-Y196 HydrophobicContact CD-CE2 4.32Å; K194-Y196 WeakPolarHBondContact CD-OH 3.15Å; K194-Y196 HydrophobicContact CG-CD2 4.5Å; K194-Y196 HydrophobicContact CG-CE1 4.05Å; K194-Y196 HydrophobicContact CG-CE2 4Å
197F94.3Very high93.9Very high2 Ų250 Ų501%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-97.395.5177.5-63.7-82.3000109.9I176 I195 V200 I204 M207 M236 P240 K242 G243 E244 I246I176-F197 HydrophobicContact CD1-CD1 3.65Å; I176-F197 HydrophobicContact CD1-CE1 3.58Å; I176-F197 HydrophobicContact CG1-CD1 3.67Å; I176-F197 HydrophobicContact CG1-CE1 4.04Å; I195-F197 HydrophobicContact CG2-CE1 4.35Å; I195-F197 HydrophobicContact CG2-CE2 4.05Å; I195-F197 HydrophobicContact CG2-CZ 3.93Å; F197-V200 HydrophobicContact CB-CG2 3.85Å; F197-V200 HydrophobicContact CD1-CG2 3.9Å; F197-V200 HydrophobicContact CG-CG2 4.28Å; F197-I204 HydrophobicContact CE1-CD1 4.37Å; F197-M207 HydrophobicContact CE1-CE 4.31Å; F197-M207 HydrophobicContact CE1-SD 4.27Å; F197-M207 HydrophobicContact CZ-CE 3.66Å; F197-M207 HydrophobicContact CZ-SD 4.2Å; F197-M236 HydrophobicContact CE1-CE 4.32Å; F197-M236 HydrophobicContact CZ-CE 4.03Å; F197-M236 HydrophobicContact CZ-SD 4.28Å; F197-P240 HydrophobicContact CD1-CB 3.78Å; F197-P240 HydrophobicContact CD1-CG 3.46Å; F197-P240 VanDerWaalsContact CD1-CG 3.46Å; F197-P240 HydrophobicContact CD2-CB 3.86Å; F197-P240 HydrophobicContact CD2-CG 4.45Å; F197-P240 HydrophobicContact CE1-CB 3.74Å; F197-P240 HydrophobicContact CE1-CG 3.31Å; F197-P240 HydrophobicContact CE2-CB 3.79Å; F197-P240 HydrophobicContact CE2-CG 4.31Å; F197-P240 HydrophobicContact CG-CB 3.85Å; F197-P240 HydrophobicContact CG-CG 4.06Å; F197-P240 HydrophobicContact CZ-CB 3.72Å; F197-P240 HydrophobicContact CZ-CG 3.75Å; F197-K242 WeakPolarHBondContact O-CA 3.29Å; F197-G243 PolarHBondContact O-N 2.71Å; F197-E244 HydrophobicContact CD2-CB 4.1Å; F197-E244 WeakPolarHBondContact CD2-O 3.28Å; F197-E244 PolarHBondContact N-O 2.77Å; F197-E244 VanDerWaalsContact N-O 3.1Å; F197-I246 HydrophobicContact CE2-CD1 3.74Å; F197-I246 HydrophobicContact CE2-CG1 4.03Å; F197-I246 HydrophobicContact CZ-CD1 4.03Å
198L93.2Very high93.8Very high68 Ų6849.6 Ų49.636%0.35623%0.232SC..EExtended strand (participates in β ladder)trans-84.6-34.8-175.8-57179.4000112.2H175 E177 K242H175-L198 HydrophobicContact CB-CB 4.15Å; H175-L198 WeakPolarHBondContact O-CA 3.45Å; H175-L198 WeakPolarHBondContact O-CB 3.34Å; H175-L198 PolarHBondContact O-N 2.83Å; E177-L198 HydrophobicContact CB-CD1 4.26Å; L198-K242 WeakPolarHBondContact O-CD 3.45Å; L198-K242 VanDerWaalsContact O-CE 3.24Å; L198-K242 WeakPolarHBondContact O-CE 3.28Å; L198-K242 WeakPolarHBondContact O-CG 3.41Å
199L92.9Very high93.9Very high41 Ų4142 Ų4222%0.21520%0.2CC..EExtended strand (participates in β ladder)trans-147.6128.7173.8-177.865.6000109.4L174 H175 R201L174-L199 CarbonylContact C-O 3.55Å; L174-L199 WeakPolarHBondContact CA-O 3.3Å; H175-L199 HydrophobicContact CB-CB 3.75Å; H175-L199 PolarHBondContact N-O 3.14Å; H175-L199 PolarHBondContact O-N 3.4Å; L199-R201 HydrophobicContact CD1-CG 3.97Å; L199-R201 HydrophobicContact CG-CG 4.35Å
200V91.5Very high93.9Very high32 Ų3242.5 Ų42.519%0.19420%0.201CC..EExtended strand (participates in β ladder)trans-13896.8176.2-171.10000107.9F197 I202 I204 P240F197-V200 HydrophobicContact CB-CG2 3.85Å; F197-V200 HydrophobicContact CD1-CG2 3.9Å; F197-V200 HydrophobicContact CG-CG2 4.28Å; V200-I202 WeakPolarHBondContact CG1-O 3.05Å; V200-I204 HydrophobicContact CG1-CD1 4.24Å; V200-P240 HydrophobicContact CG1-CG 4.31Å; V200-P240 HydrophobicContact CG2-CG 4.3Å
201R90.6Very high93.9Very high168 Ų16840.9 Ų40.963%0.63419%0.191SC*.  trans-110.8-9.1171.8-59-161.1-179.6145.3-12.6113.1D172 C173 L199D172-R201 VanDerWaalsContact O-CD 3.23Å; D172-R201 WeakPolarHBondContact O-CD 3.41Å; D172-R201 PolarHBondContact O-NH1 3.03Å; C173-R201 WeakPolarHBondContact O-CA 3.24Å; C173-R201 WeakPolarHBondContact O-CB 3.14Å; C173-R201 PolarHBondContact O-N 2.89Å; L199-R201 HydrophobicContact CD1-CG 3.97Å; L199-R201 HydrophobicContact CG-CG 4.35Å
202I89.1Confident94Very high27 Ų2741.4 Ų41.414%0.13819%0.194CC..SBendtrans-100.3141.2171.3-60.3173.9000108I170 C173 V200 I204 D280I170-I202 HydrophobicContact CD1-CD1 3.93Å; C173-I202 HydrophobicContact CB-CD1 3.71Å; C173-I202 HydrophobicContact CB-CG1 3.99Å; V200-I202 WeakPolarHBondContact CG1-O 3.05Å; I202-I204 PolarHBondContact O-N 3.2Å; I202-D280 HydrophobicContact CG2-CB 3.64Å
203K89Confident94Very high124 Ų12439.9 Ų39.954%0.53918%0.182SC..  trans-78.5115.3174.2-65.7178.5176.6-175.50110.2D280 E281K203-D280 WeakPolarHBondContact O-CA 3.38Å; K203-D280 VanDerWaalsContact O-CB 3.26Å; K203-D280 WeakPolarHBondContact O-CB 3.42Å; K203-E281 HydrophobicContact CB-CG 3.9Å; K203-E281 HydrophobicContact CD-CG 4.34Å; K203-E281 VanDerWaalsContact CD-OE1 3.3Å; K203-E281 WeakPolarHBondContact CD-OE1 3.47Å; K203-E281 WeakPolarHBondContact CD-OE2 3.38Å; K203-E281 IonicContact NZ-OE1 3.59Å; K203-E281 PolarHBondContact NZ-OE1 2.83Å; K203-E281 IonicContact NZ-OE2 3.52Å; K203-E281 PolarHBondContact NZ-OE2 2.89Å; K203-E281 PolarHBondContact O-N 2.91Å
204I89.6Confident94.1Very high7 Ų741.6 Ų41.64%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-83.4127.6177.2-59.8167.1000107.6L174 I176 F197 V200 I202 M236 G238 P240 L278L174-I204 HydrophobicContact CD1-CD1 4.09Å; I176-I204 HydrophobicContact CD1-CD1 3.87Å; F197-I204 HydrophobicContact CE1-CD1 4.37Å; V200-I204 HydrophobicContact CG1-CD1 4.24Å; I202-I204 PolarHBondContact O-N 3.2Å; I204-M236 HydrophobicContact CG2-CE 4.12Å; I204-G238 CarbonylContact O-C 3.51Å; I204-P240 HydrophobicContact CD1-CG 3.79Å; I204-L278 HydrophobicContact CD1-CD2 4.12Å
205Q91.1Very high94.2Very high87 Ų8738.3 Ų38.341%0.40717%0.172SC..EExtended strand (participates in β ladder)trans-85.9-49172.9-175.4-174.624.300109.6G238 V279 D280Q205-G238 PolarHBondContact O-N 3.24Å; Q205-V279 PolarHBondContact N-O 2.84Å; Q205-D280 PolarHBondContact OE1-O 3.01Å
206H90.6Very high94.2Very high44 Ų4440.2 Ų40.220%0.20418%0.182CC..EExtended strand (participates in β ladder)trans-143.8140.8-170.6-179.971.5000112E208 L278 V279H206-E208 IonicContact CD2-OE2 3.47Å; H206-E208 PolarHBondContact CD2-OE2 3.4Å; H206-E208 IonicContact CE1-OE2 3.02Å; H206-E208 IonicContact NE2-OE2 2.7Å; H206-E208 PolarHBondContact NE2-OE2 2.96Å; H206-L278 WeakPolarHBondContact O-CA 3.28Å; H206-V279 HydrophobicContact CB-CB 4.21Å; H206-V279 HydrophobicContact CB-CG2 4.46Å; H206-V279 PolarHBondContact N-O 3.5Å; H206-V279 PolarHBondContact O-N 3.17Å
207M93.4Very high94.1Very high0 Ų037.4 Ų37.40%017%0.172CC..EExtended strand (participates in β ladder)trans-137.2134173.9-173173.968.300111.6I195 F197 I235 M236 I246 L276 V277 L278I195-M207 HydrophobicContact CD1-CE 3.73Å; I195-M207 HydrophobicContact CD1-SD 4.25Å; I195-M207 HydrophobicContact CG2-CE 4.31Å; F197-M207 HydrophobicContact CE1-CE 4.31Å; F197-M207 HydrophobicContact CE1-SD 4.27Å; F197-M207 HydrophobicContact CZ-CE 3.66Å; F197-M207 HydrophobicContact CZ-SD 4.2Å; M207-I235 HydrophobicContact CE-CB 3.84Å; M207-I235 HydrophobicContact CE-CD1 4.05Å; M207-I235 HydrophobicContact CE-CG2 3.44Å; M207-I235 VanDerWaalsContact CE-CG2 3.44Å; M207-I235 HydrophobicContact CG-CD1 4.09Å; M207-I235 PolarHBondContact O-N 2.97Å; M207-M236 HydrophobicContact CB-CE 4.13Å; M207-M236 HydrophobicContact CE-CB 4.4Å; M207-M236 HydrophobicContact CE-CE 4Å; M207-M236 PolarHBondContact N-O 3Å; M207-M236 PolarHBondContact O-N 2.9Å; M207-I246 HydrophobicContact CE-CD1 4.28Å; M207-L276 HydrophobicContact CG-CD1 4.16Å; M207-L276 HydrophobicContact SD-CD1 4.27Å; M207-V277 WeakPolarHBondContact CA-O 2.89Å; M207-L278 HydrophobicContact CG-CD2 4.17Å; M207-L278 HydrophobicContact CG-CG 4.07Å; M207-L278 HydrophobicContact SD-CD2 3.83Å; M207-L278 HydrophobicContact SD-CG 4.3Å
208E95.1Very high93.7Very high13 Ų1338.5 Ų38.56%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-142.9153179.164.4-175.2-116.300112.6H206 Q210 K232 Y233 V277H206-E208 IonicContact CD2-OE2 3.47Å; H206-E208 PolarHBondContact CD2-OE2 3.4Å; H206-E208 IonicContact CE1-OE2 3.02Å; H206-E208 IonicContact NE2-OE2 2.7Å; H206-E208 PolarHBondContact NE2-OE2 2.96Å; E208-Q210 HydrophobicContact CG-CG 4.36Å; E208-Q210 WeakPolarHBondContact OE1-CG 3.46Å; E208-Q210 PolarHBondContact OE1-NE2 3.21Å; E208-K232 WeakPolarHBondContact OE1-CE 3.45Å; E208-K232 WeakPolarHBondContact OE2-CE 2.94Å; E208-K232 IonicContact OE2-NZ 3.15Å; E208-K232 PolarHBondContact OE2-NZ 2.86Å; E208-K232 VanDerWaalsContact OE2-NZ 3.15Å; E208-Y233 CarbonylContact C-O 3.57Å; E208-Y233 VanDerWaalsContact CA-O 3.28Å; E208-Y233 WeakPolarHBondContact CA-O 3.33Å; E208-Y233 WeakPolarHBondContact CB-O 3.29Å; E208-V277 HydrophobicContact CG-CB 3.75Å; E208-V277 HydrophobicContact CG-CG1 4.38Å; E208-V277 HydrophobicContact CG-CG2 4.41Å; E208-V277 PolarHBondContact N-O 2.85Å; E208-V277 PolarHBondContact O-N 3.38Å
209L96.5Very high92.9Very high2 Ų240 Ų401%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-108.7123168.1-177.467.6000108.8F178 Y233 I235 I248 L274 L276F178-L209 HydrophobicContact CD1-CD1 4.38Å; F178-L209 HydrophobicContact CE1-CD1 3.83Å; F178-L209 HydrophobicContact CE1-CD2 4.05Å; F178-L209 HydrophobicContact CZ-CD1 4.42Å; F178-L209 HydrophobicContact CZ-CD2 3.81Å; L209-Y233 PolarHBondContact N-O 2.91Å; L209-Y233 WeakPolarHBondContact O-CB 3.34Å; L209-Y233 PolarHBondContact O-N 2.96Å; L209-I235 HydrophobicContact CB-CD1 3.9Å; L209-I248 HydrophobicContact CD2-CG2 4.03Å; L209-L274 HydrophobicContact CD1-CB 4.21Å; L209-L274 HydrophobicContact CD1-CD2 4.44Å; L209-L274 HydrophobicContact CD2-CD2 4.39Å; L209-L274 HydrophobicContact CG-CD2 4.45Å; L209-L276 HydrophobicContact CD1-CB 4.46Å
210Q97.9Very high92.2Very high31 Ų3140.4 Ų40.415%0.14521%0.205CC..EExtended strand (participates in β ladder)trans-104.9141.7176.7-61.5173.4-18.100110.6E208 I212 T229 A231 L274 N275 V277E208-Q210 HydrophobicContact CG-CG 4.36Å; E208-Q210 WeakPolarHBondContact OE1-CG 3.46Å; E208-Q210 PolarHBondContact OE1-NE2 3.21Å; Q210-I212 HydrophobicContact CB-CD1 4.5Å; Q210-I212 HydrophobicContact CB-CG1 4.07Å; Q210-T229 HydrophobicContact CB-CG2 4.17Å; Q210-T229 HydrophobicContact CG-CG2 4.16Å; Q210-A231 CarbonylContact C-O 3.54Å; Q210-A231 VanDerWaalsContact CA-O 3.26Å; Q210-A231 WeakPolarHBondContact CA-O 3.17Å; Q210-L274 WeakPolarHBondContact O-CA 3.39Å; Q210-N275 HydrophobicContact CB-CB 4.19Å; Q210-N275 PolarHBondContact N-O 2.7Å; Q210-N275 PolarHBondContact O-N 3.1Å; Q210-N275 PolarHBondContact OE1-ND2 3.07Å; Q210-V277 HydrophobicContact CG-CG2 4.41Å
211L98.3Very high91.5Very high0 Ų045.8 Ų45.80%024%0.241CC..EExtended strand (participates in β ladder)trans-97.2111.5161.5-179.361.4000108V230 A231 L252 L257 Y272 L274 I292L211-V230 HydrophobicContact CD2-CB 4.47Å; L211-V230 HydrophobicContact CD2-CG1 4.44Å; L211-V230 HydrophobicContact CG-CB 4.39Å; L211-V230 PolarHBondContact O-N 2.83Å; L211-A231 HydrophobicContact CB-CB 3.82Å; L211-A231 PolarHBondContact N-O 2.83Å; L211-A231 PolarHBondContact O-N 2.95Å; L211-L252 HydrophobicContact CD2-CD2 4.03Å; L211-L257 HydrophobicContact CD2-CD1 4.37Å; L211-L257 HydrophobicContact CD2-CD2 3.75Å; L211-Y272 HydrophobicContact CD1-CD1 4.32Å; L211-L274 HydrophobicContact CD1-CD2 4.27Å; L211-I292 HydrophobicContact CD1-CD1 3.9Å
212I98.4Very high91.1Very high11 Ų1141.9 Ų41.96%0.05624%0.239CC..EExtended strand (participates in β ladder)trans-105.6129.3-177.9-61.4-176.4000109.4Q210 K214 T227 E228 Y272 F273 N275Q210-I212 HydrophobicContact CB-CD1 4.5Å; Q210-I212 HydrophobicContact CB-CG1 4.07Å; I212-K214 HydrophobicContact CG2-CG 4.08Å; I212-T227 HydrophobicContact CG2-CG2 3.45Å; I212-T227 VanDerWaalsContact CG2-CG2 3.45Å; I212-E228 CarbonylContact C-O 3.53Å; I212-E228 WeakPolarHBondContact CA-O 2.86Å; I212-Y272 CarbonylContact O-C 3.58Å; I212-Y272 WeakPolarHBondContact O-CA 3.24Å; I212-F273 HydrophobicContact CB-CB 4.47Å; I212-F273 PolarHBondContact N-O 2.97Å; I212-F273 PolarHBondContact O-N 2.78Å; I212-N275 HydrophobicContact CD1-CB 3.51Å; I212-N275 HydrophobicContact CG1-CB 4.07Å
213K98.5Very high91.1Very high28 Ų2843.7 Ų43.712%0.12225%0.252CS..EExtended strand (participates in β ladder)trans-98.5129.2167.4177.3-172.9172.1-163.60108.4Y121 T227 E228 V230 V270 R271 Y272Y121-K213 WeakPolarHBondContact OH-CE 3.11Å; Y121-K213 PolarHBondContact OH-NZ 3.19Å; K213-T227 WeakPolarHBondContact O-CA 3.38Å; K213-E228 HydrophobicContact CB-CB 4.38Å; K213-E228 PolarHBondContact N-O 3.38Å; K213-E228 IonicContact NZ-OE2 2.98Å; K213-E228 PolarHBondContact O-N 2.82Å; K213-V230 HydrophobicContact CB-CG2 3.54Å; K213-V230 HydrophobicContact CD-CG2 4.49Å; K213-V270 HydrophobicContact CD-CG1 4.37Å; K213-V270 HydrophobicContact CG-CG1 4.03Å; K213-R271 CarbonylContact C-O 3.55Å; K213-R271 WeakPolarHBondContact CA-O 3.47Å; K213-Y272 HydrophobicContact CB-CD1 4.11Å; K213-Y272 HydrophobicContact CB-CE1 3.78Å; K213-Y272 HydrophobicContact CD-CE1 4.27Å; K213-Y272 HydrophobicContact CG-CE1 3.93Å
214K98.3Very high91.2Very high48 Ų4841.1 Ų41.121%0.20925%0.246CC..EExtended strand (participates in β ladder)trans-115.5117.3171.6-66.5-174.1171.8173.60109I212 T225 E226 T227 V270 R271 F273I212-K214 HydrophobicContact CG2-CG 4.08Å; K214-T225 HydrophobicContact CB-CG2 4.33Å; K214-E226 CarbonylContact C-O 3.59Å; K214-E226 WeakPolarHBondContact CA-O 3.4Å; K214-T227 HydrophobicContact CG-CG2 4.23Å; K214-V270 WeakPolarHBondContact O-CA 3.21Å; K214-R271 PolarHBondContact N-O 2.88Å; K214-R271 PolarHBondContact O-N 2.76Å; K214-F273 HydrophobicContact CB-CE2 4.09Å; K214-F273 HydrophobicContact CD-CD2 4.04Å; K214-F273 HydrophobicContact CD-CE2 3.68Å; K214-F273 HydrophobicContact CD-CZ 4.34Å; K214-F273 HydrophobicContact CG-CD2 4.14Å; K214-F273 HydrophobicContact CG-CE2 4.01Å
215E97.9Very high91.5Very high5 Ų544.2 Ų44.22%0.02327%0.266CS..EExtended strand (participates in β ladder)trans-98.7121169.7178.4-171.8111.800108.4Y121 G123 A124 N125 V126 T217 T225 E226 S269Y121-E215 HydrophobicContact CE1-CG 4.45Å; Y121-E215 VanDerWaalsContact CE1-OE2 3.28Å; Y121-E215 WeakPolarHBondContact CE1-OE2 3.49Å; Y121-E215 PolarHBondContact OH-OE2 2.94Å; G123-E215 WeakPolarHBondContact CA-OE2 3.14Å; A124-E215 PolarHBondContact N-OE1 2.94Å; A124-E215 PolarHBondContact N-OE2 2.89Å; N125-E215 WeakPolarHBondContact CA-OE1 3.46Å; N125-E215 WeakPolarHBondContact CB-OE1 3.34Å; N125-E215 PolarHBondContact N-OE1 3.08Å; V126-E215 HydrophobicContact CG1-CG 4.15Å; E215-T217 HydrophobicContact CG-CG2 4.17Å; E215-T225 CarbonylContact O-C 3.34Å; E215-T225 WeakPolarHBondContact O-CA 3.32Å; E215-E226 HydrophobicContact CB-CB 4.28Å; E215-E226 PolarHBondContact N-O 2.99Å; E215-E226 PolarHBondContact O-N 2.7Å; E215-S269 CarbonylContact C-O 3.54Å; E215-S269 WeakPolarHBondContact CA-O 3.32Å
216I96.6Very high91.8Very high41 Ų4144.3 Ų44.321%0.2127%0.266CS..EExtended strand (participates in β ladder)trans-116.7118.3-175.7-56.4163.3000106.6T223 T224 T225 F268 S269I216-T223 HydrophobicContact CG2-CG2 3.29Å; I216-T224 CarbonylContact C-O 3.57Å; I216-T224 WeakPolarHBondContact CA-O 3.49Å; I216-T225 HydrophobicContact CG1-CG2 4.01Å; I216-F268 CarbonylContact O-C 3.55Å; I216-F268 WeakPolarHBondContact O-CA 3.42Å; I216-F268 VanDerWaalsContact O-CB 3.24Å; I216-F268 WeakPolarHBondContact O-CB 3.4Å; I216-S269 PolarHBondContact N-O 3.25Å; I216-S269 PolarHBondContact O-N 2.76Å
217T94.2Very high92.1Very high6 Ų645.5 Ų45.54%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-121.3152.118057.40000110.9N125 V126 E215 T223 T224 F268N125-T217 HydrophobicContact CB-CG2 3.88Å; V126-T217 HydrophobicContact CB-CG2 3.73Å; V126-T217 HydrophobicContact CG1-CG2 3.66Å; E215-T217 HydrophobicContact CG-CG2 4.17Å; T217-T223 CarbonylContact O-C 3.52Å; T217-T223 VanDerWaalsContact O-CA 3.29Å; T217-T223 WeakPolarHBondContact O-CA 3.43Å; T217-T224 PolarHBondContact N-O 3.02Å; T217-T224 PolarHBondContact O-N 3.1Å; T217-F268 HydrophobicContact CG2-CB 3.95Å
218G85.3Confident92.3Very high26 Ų2650.2 Ų50.227%0.26830%0.299SS..SBendtrans10317717800000113.6K267G218-K267 PolarHBondContact N-O 2.82Å
219I77.3Confident92.4Very high98 Ų9853.1 Ų53.150%0.50332%0.318SS..SBendtrans-129.7124.3-175.7-58.9174.9000109.1S222 K266 K267I219-S222 PolarHBondContact O-OG 2.97Å; I219-S222 VanDerWaalsContact O-OG 3.07Å; I219-K266 WeakPolarHBondContact CG1-O 3.07Å; I219-K267 HydrophobicContact CD1-CD 4.23Å
220G76.9Confident92.4Very high50 Ų5054.3 Ų54.352%0.51533%0.325SS..G310 helixtrans64.9-130.6174.500000112.1S222 T223G220-S222 PolarHBondContact O-N 3.3Å; G220-T223 PolarHBondContact O-N 3.37Å; G220-T223 PolarHBondContact O-OG1 2.91Å
221P76.2Confident92.3Very high146 Ų14653.1 Ų53.195%0.94832%0.32SS*.G310 helixtrans-63.5-20.1-174.8-21.732.8000115.2T223P221-T223 VanDerWaalsContact C-N 3.26Å; P221-T223 PolarHBondContact O-N 2.52Å
222S82.8Confident92.2Very high85 Ų8558.1 Ų58.159%0.59434%0.342SS*.G310 helixtrans-90.825.3-179.559.30000113.6I219 G220I219-S222 PolarHBondContact O-OG 2.97Å; I219-S222 VanDerWaalsContact O-OG 3.07Å; G220-S222 PolarHBondContact O-N 3.3Å
223T88.5Confident92Very high65 Ų6561.5 Ų61.540%0.39936%0.355SS..  trans-74.8127.2-178.8-58.70000111.1I216 T217 G220 P221I216-T223 HydrophobicContact CG2-CG2 3.29Å; T217-T223 CarbonylContact O-C 3.52Å; T217-T223 VanDerWaalsContact O-CA 3.29Å; T217-T223 WeakPolarHBondContact O-CA 3.43Å; G220-T223 PolarHBondContact O-N 3.37Å; G220-T223 PolarHBondContact O-OG1 2.91Å; P221-T223 VanDerWaalsContact C-N 3.26Å; P221-T223 PolarHBondContact O-N 2.52Å
224T92.4Very high91.8Very high70 Ų7066 Ų6643%0.42938%0.376SS..EExtended strand (participates in β ladder)trans-108.4139.3171.4-56.20000109I216 T217I216-T224 CarbonylContact C-O 3.57Å; I216-T224 WeakPolarHBondContact CA-O 3.49Å; T217-T224 PolarHBondContact N-O 3.02Å; T217-T224 PolarHBondContact O-N 3.1Å
225T95.9Very high91.4Very high72 Ų7265 Ų6544%0.44237%0.373SS..EExtended strand (participates in β ladder)trans-122.5113.9176.4-59.50000109.9K214 E215 I216K214-T225 HydrophobicContact CB-CG2 4.33Å; E215-T225 CarbonylContact O-C 3.34Å; E215-T225 WeakPolarHBondContact O-CA 3.32Å; I216-T225 HydrophobicContact CG1-CG2 4.01Å
226E96.8Very high90.8Very high89 Ų8966.4 Ų66.442%0.41638%0.38SS..EExtended strand (participates in β ladder)trans-89132167.9-169.961.6-149.200109.4A124 K214 E215A124-E226 HydrophobicContact CB-CB 4.22Å; A124-E226 HydrophobicContact CB-CG 3.69Å; K214-E226 CarbonylContact C-O 3.59Å; K214-E226 WeakPolarHBondContact CA-O 3.4Å; E215-E226 HydrophobicContact CB-CB 4.28Å; E215-E226 PolarHBondContact N-O 2.99Å; E215-E226 PolarHBondContact O-N 2.7Å
227T97.8Very high89.9Confident70 Ų7071.4 Ų71.443%0.42941%0.407SS..EExtended strand (participates in β ladder)trans-122118.5-178.9-60.40000110.2I212 K213 K214I212-T227 HydrophobicContact CG2-CG2 3.45Å; I212-T227 VanDerWaalsContact CG2-CG2 3.45Å; K213-T227 WeakPolarHBondContact O-CA 3.38Å; K214-T227 HydrophobicContact CG-CG2 4.23Å
228E96.9Very high88.9Confident98 Ų9872.5 Ų72.546%0.45842%0.419SS..EExtended strand (participates in β ladder)trans-114.5131.2179-178.7-172.4177.200109.8I212 K213 V230I212-E228 CarbonylContact C-O 3.53Å; I212-E228 WeakPolarHBondContact CA-O 2.86Å; K213-E228 HydrophobicContact CB-CB 4.38Å; K213-E228 PolarHBondContact N-O 3.38Å; K213-E228 IonicContact NZ-OE2 2.98Å; K213-E228 PolarHBondContact O-N 2.82Å; E228-V230 HydrophobicContact CG-CG2 4.34Å; E228-V230 PolarHBondContact O-N 3.12Å
229T97.6Very high88.5Confident75 Ų7574.5 Ų74.546%0.4643%0.433SS..EExtended strand (participates in β ladder)trans-87.797.5168.9-58.80000108.6Q210Q210-T229 HydrophobicContact CB-CG2 4.17Å; Q210-T229 HydrophobicContact CG-CG2 4.16Å
230V96.6Very high89Confident27 Ų2770.2 Ų70.216%0.16441%0.412CS..EExtended strand (participates in β ladder)trans-72.1-37.5-175.1-178.90000111.6L211 K213 E228 Y255 L257L211-V230 HydrophobicContact CD2-CB 4.47Å; L211-V230 HydrophobicContact CD2-CG1 4.44Å; L211-V230 HydrophobicContact CG-CB 4.39Å; L211-V230 PolarHBondContact O-N 2.83Å; K213-V230 HydrophobicContact CB-CG2 3.54Å; K213-V230 HydrophobicContact CD-CG2 4.49Å; E228-V230 HydrophobicContact CG-CG2 4.34Å; E228-V230 PolarHBondContact O-N 3.12Å; V230-Y255 HydrophobicContact CG1-CD1 4.37Å; V230-Y255 HydrophobicContact CG1-CG 4.34Å; V230-L257 HydrophobicContact CG1-CD2 3.82Å
231A96.3Very high89.6Confident5 Ų572 Ų724%0.04141%0.412CS..EExtended strand (participates in β ladder)trans-140.7143.8178.400000110.5Q210 L211 Y255Q210-A231 CarbonylContact C-O 3.54Å; Q210-A231 VanDerWaalsContact CA-O 3.26Å; Q210-A231 WeakPolarHBondContact CA-O 3.17Å; L211-A231 HydrophobicContact CB-CB 3.82Å; L211-A231 PolarHBondContact N-O 2.83Å; L211-A231 PolarHBondContact O-N 2.95Å; A231-Y255 HydrophobicContact CB-CD1 3.88Å; A231-Y255 HydrophobicContact CB-CD2 4.34Å; A231-Y255 HydrophobicContact CB-CE1 3.33Å; A231-Y255 HydrophobicContact CB-CE2 3.84Å; A231-Y255 HydrophobicContact CB-CG 4.36Å
232K96.1Very high90.3Very high106 Ų10672.4 Ų72.446%0.46140%0.399SS..EExtended strand (participates in β ladder)trans-124.1115.5171-168.2-169.7-174.5-148.40107.9E208 E234E208-K232 WeakPolarHBondContact OE1-CE 3.45Å; E208-K232 WeakPolarHBondContact OE2-CE 2.94Å; E208-K232 IonicContact OE2-NZ 3.15Å; E208-K232 PolarHBondContact OE2-NZ 2.86Å; E208-K232 VanDerWaalsContact OE2-NZ 3.15Å; K232-E234 IonicContact NZ-OE1 2.71Å; K232-E234 PolarHBondContact NZ-OE1 2.59Å
233Y94Very high90.6Very high81 Ų8171.6 Ų71.632%0.31841%0.405SS..EExtended strand (participates in β ladder)trans-111.7101178.8-170.8-93.8000108.5E208 L209 I235 I248 L250E208-Y233 CarbonylContact C-O 3.57Å; E208-Y233 VanDerWaalsContact CA-O 3.28Å; E208-Y233 WeakPolarHBondContact CA-O 3.33Å; E208-Y233 WeakPolarHBondContact CB-O 3.29Å; L209-Y233 PolarHBondContact N-O 2.91Å; L209-Y233 WeakPolarHBondContact O-CB 3.34Å; L209-Y233 PolarHBondContact O-N 2.96Å; Y233-I235 HydrophobicContact CD1-CG1 3.88Å; Y233-I235 HydrophobicContact CE1-CG1 4.28Å; Y233-I235 PolarHBondContact O-N 2.88Å; Y233-I248 HydrophobicContact CE1-CD1 4.04Å; Y233-I248 HydrophobicContact CE1-CG2 4.44Å; Y233-L250 HydrophobicContact CD2-CD1 4.16Å
234E93.1Very high90.8Very high122 Ų12272.9 Ų72.957%0.5741%0.406SS*.EExtended strand (participates in β ladder)trans-72.8124.1177.1-61.3-175.9165.700108.7K232K232-E234 IonicContact NZ-OE1 2.71Å; K232-E234 PolarHBondContact NZ-OE1 2.59Å
235I90.9Very high90.9Very high28 Ų2871.9 Ų71.914%0.14440%0.402CS..EExtended strand (participates in β ladder)trans-97.4-43.4-171.3-61.5161.2000110.3I195 M207 L209 Y233 I246 I248 L276I195-I235 HydrophobicContact CD1-CD1 3.47Å; I195-I235 VanDerWaalsContact CD1-CD1 3.47Å; I195-I235 HydrophobicContact CD1-CG1 4.48Å; I195-I235 HydrophobicContact CD1-CG2 4.25Å; M207-I235 HydrophobicContact CE-CB 3.84Å; M207-I235 HydrophobicContact CE-CD1 4.05Å; M207-I235 HydrophobicContact CE-CG2 3.44Å; M207-I235 VanDerWaalsContact CE-CG2 3.44Å; M207-I235 HydrophobicContact CG-CD1 4.09Å; M207-I235 PolarHBondContact O-N 2.97Å; L209-I235 HydrophobicContact CB-CD1 3.9Å; Y233-I235 HydrophobicContact CD1-CG1 3.88Å; Y233-I235 HydrophobicContact CE1-CG1 4.28Å; Y233-I235 PolarHBondContact O-N 2.88Å; I235-I246 HydrophobicContact CG2-CB 4.44Å; I235-I246 HydrophobicContact CG2-CD1 4.01Å; I235-I246 HydrophobicContact CG2-CG2 3.8Å; I235-I248 HydrophobicContact CD1-CD1 4.18Å; I235-I248 HydrophobicContact CG1-CD1 3.89Å; I235-I248 HydrophobicContact CG2-CD1 3.89Å; I235-L276 HydrophobicContact CD1-CD1 4.07Å
236M85.7Confident90.9Very high34 Ų3470.4 Ų70.417%0.16739%0.391CS..EExtended strand (participates in β ladder)trans-160.2142.4-168.2176.2-176.467.300110.9F197 I204 M207 G238 P240 I246F197-M236 HydrophobicContact CE1-CE 4.32Å; F197-M236 HydrophobicContact CZ-CE 4.03Å; F197-M236 HydrophobicContact CZ-SD 4.28Å; I204-M236 HydrophobicContact CG2-CE 4.12Å; M207-M236 HydrophobicContact CB-CE 4.13Å; M207-M236 HydrophobicContact CE-CB 4.4Å; M207-M236 HydrophobicContact CE-CE 4Å; M207-M236 PolarHBondContact N-O 3Å; M207-M236 PolarHBondContact O-N 2.9Å; M236-G238 WeakPolarHBondContact CE-O 3.2Å; M236-P240 HydrophobicContact CE-CB 4.21Å; M236-P240 HydrophobicContact CE-CG 3.7Å; M236-P240 HydrophobicContact SD-CB 3.83Å; M236-P240 HydrophobicContact SD-CG 4Å; M236-I246 HydrophobicContact CB-CD1 4.29Å; M236-I246 HydrophobicContact SD-CD1 3.98Å
237D76.5Confident90.9Very high147 Ų14770.9 Ų70.979%0.78640%0.401SS*.EExtended strand (participates in β ladder)trans-117.2116.6165.2-174.1-1.7000106.8
238G73.9Confident90.8Very high28 Ų2867.6 Ų67.629%0.28938%0.381SS..SBendtrans117.1178.7-178.500000116.5I204 Q205 M236 P240I204-G238 CarbonylContact O-C 3.51Å; Q205-G238 PolarHBondContact O-N 3.24Å; M236-G238 WeakPolarHBondContact CE-O 3.2Å; G238-P240 VanDerWaalsContact O-CD 3.32Å; G238-P240 WeakPolarHBondContact O-CD 3.04Å
239A77.4Confident90.8Very high69 Ų6970.8 Ų70.857%0.5739%0.389SS*.  trans-94.3107.6-168.800000112.5
240P87.8Confident90.7Very high7 Ų767.4 Ų67.45%0.04537%0.368CS..  trans-71.4156.317633-36.1000110.5F197 V200 I204 M236 G238 E244F197-P240 HydrophobicContact CD1-CB 3.78Å; F197-P240 HydrophobicContact CD1-CG 3.46Å; F197-P240 VanDerWaalsContact CD1-CG 3.46Å; F197-P240 HydrophobicContact CD2-CB 3.86Å; F197-P240 HydrophobicContact CD2-CG 4.45Å; F197-P240 HydrophobicContact CE1-CB 3.74Å; F197-P240 HydrophobicContact CE1-CG 3.31Å; F197-P240 HydrophobicContact CE2-CB 3.79Å; F197-P240 HydrophobicContact CE2-CG 4.31Å; F197-P240 HydrophobicContact CG-CB 3.85Å; F197-P240 HydrophobicContact CG-CG 4.06Å; F197-P240 HydrophobicContact CZ-CB 3.72Å; F197-P240 HydrophobicContact CZ-CG 3.75Å; V200-P240 HydrophobicContact CG1-CG 4.31Å; V200-P240 HydrophobicContact CG2-CG 4.3Å; I204-P240 HydrophobicContact CD1-CG 3.79Å; M236-P240 HydrophobicContact CE-CB 4.21Å; M236-P240 HydrophobicContact CE-CG 3.7Å; M236-P240 HydrophobicContact SD-CB 3.83Å; M236-P240 HydrophobicContact SD-CG 4Å; G238-P240 VanDerWaalsContact O-CD 3.32Å; G238-P240 WeakPolarHBondContact O-CD 3.04Å; P240-E244 WeakPolarHBondContact CA-OE2 3.26Å
241V88.3Confident90.8Very high87 Ų8772.3 Ų72.353%0.52739%0.387SS..  trans-105.2155.4174.1-56.50000112.4G243 E244V241-G243 PolarHBondContact O-N 2.72Å; V241-E244 VanDerWaalsContact CG2-CD 3.45Å; V241-E244 HydrophobicContact CG2-CG 3.64Å; V241-E244 WeakPolarHBondContact CG2-OE1 3.38Å; V241-E244 PolarHBondContact N-OE2 3.34Å; V241-E244 WeakPolarHBondContact O-CB 3.5Å; V241-E244 PolarHBondContact O-N 2.96Å; V241-E244 VanDerWaalsContact O-N 3.11Å
242K90.8Very high90.8Very high156 Ų15672 Ų7268%0.67839%0.385SS*.THydrogen-bonded Turntrans-54.2131.3176.3177.1177.1178.3-1770110.7F197 L198F197-K242 WeakPolarHBondContact O-CA 3.29Å; L198-K242 WeakPolarHBondContact O-CD 3.45Å; L198-K242 VanDerWaalsContact O-CE 3.24Å; L198-K242 WeakPolarHBondContact O-CE 3.28Å; L198-K242 WeakPolarHBondContact O-CG 3.41Å
243G90.1Very high90.8Very high68 Ų6870.1 Ų70.170%0.70139%0.39SS*.THydrogen-bonded Turntrans92.6-9.9179.800000114.2F197 V241F197-G243 PolarHBondContact O-N 2.71Å; V241-G243 PolarHBondContact O-N 2.72Å
244E92.9Very high90.7Very high91 Ų9169.7 Ų69.743%0.42541%0.409SS..  trans-69.2158.1172.2-74.1-177.1158.200112F197 P240 V241F197-E244 HydrophobicContact CD2-CB 4.1Å; F197-E244 WeakPolarHBondContact CD2-O 3.28Å; F197-E244 PolarHBondContact N-O 2.77Å; F197-E244 VanDerWaalsContact N-O 3.1Å; P240-E244 WeakPolarHBondContact CA-OE2 3.26Å; V241-E244 VanDerWaalsContact CG2-CD 3.45Å; V241-E244 HydrophobicContact CG2-CG 3.64Å; V241-E244 WeakPolarHBondContact CG2-OE1 3.38Å; V241-E244 PolarHBondContact N-OE2 3.34Å; V241-E244 WeakPolarHBondContact O-CB 3.5Å; V241-E244 PolarHBondContact O-N 2.96Å; V241-E244 VanDerWaalsContact O-N 3.11Å
245S94.3Very high90.8Very high49 Ų4967.3 Ų67.334%0.34340%0.396SS..EExtended strand (participates in β ladder)trans-147.7143.2173.464.50000112.3K194 I195K194-S245 WeakPolarHBondContact CE-OG 3.25Å; K194-S245 PolarHBondContact NZ-OG 2.79Å; I195-S245 CarbonylContact O-C 3.6Å; I195-S245 WeakPolarHBondContact O-CA 3.28Å; I195-S245 WeakPolarHBondContact O-CB 3.47Å
246I95Very high90.9Very high41 Ų4171.9 Ų71.921%0.2142%0.42CS..EExtended strand (participates in β ladder)trans-119.2119.7-177.3-60.1172.3000108.8K194 I195 F197 M207 I235 M236 I248K194-I246 WeakPolarHBondContact CA-O 2.94Å; I195-I246 PolarHBondContact N-O 2.81Å; I195-I246 PolarHBondContact O-N 2.82Å; F197-I246 HydrophobicContact CE2-CD1 3.74Å; F197-I246 HydrophobicContact CE2-CG1 4.03Å; F197-I246 HydrophobicContact CZ-CD1 4.03Å; M207-I246 HydrophobicContact CE-CD1 4.28Å; I235-I246 HydrophobicContact CG2-CB 4.44Å; I235-I246 HydrophobicContact CG2-CD1 4.01Å; I235-I246 HydrophobicContact CG2-CG2 3.8Å; M236-I246 HydrophobicContact CB-CD1 4.29Å; M236-I246 HydrophobicContact SD-CD1 3.98Å; I246-I248 HydrophobicContact CG2-CD1 4.19Å
247P96.5Very high91.4Very high99 Ų9970.8 Ų70.864%0.64342%0.415SS*.EExtended strand (participates in β ladder)trans-74138.7173.930.8-33.2000110.9
248I96.7Very high92.4Very high1 Ų165 Ų651%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-116.5133.1179.9-57.3-60.8000109.7F178 V192 G193 I195 L209 Y233 I235 I246F178-I248 HydrophobicContact CE2-CB 4.28Å; F178-I248 HydrophobicContact CE2-CG1 4.13Å; V192-I248 WeakPolarHBondContact CA-O 3.29Å; G193-I248 PolarHBondContact N-O 3.06Å; G193-I248 PolarHBondContact O-N 2.82Å; I195-I248 HydrophobicContact CD1-CD1 4.11Å; I195-I248 HydrophobicContact CD1-CG1 4.12Å; I195-I248 HydrophobicContact CG1-CG1 4.12Å; L209-I248 HydrophobicContact CD2-CG2 4.03Å; Y233-I248 HydrophobicContact CE1-CD1 4.04Å; Y233-I248 HydrophobicContact CE1-CG2 4.44Å; I235-I248 HydrophobicContact CD1-CD1 4.18Å; I235-I248 HydrophobicContact CG1-CD1 3.89Å; I235-I248 HydrophobicContact CG2-CD1 3.89Å; I246-I248 HydrophobicContact CG2-CD1 4.19Å
249R96.4Very high93.5Very high166 Ų16664.2 Ų64.263%0.62638%0.375SS*.EExtended strand (participates in β ladder)trans-136.1102.2170.5-69.1-175.1-175.61712.3110.1V190 I191 F251V190-R249 HydrophobicContact CG1-CB 4.35Å; I191-R249 WeakPolarHBondContact O-CA 3.48Å; R249-F251 HydrophobicContact CB-CE2 4.33Å
250L96.4Very high94.5Very high3 Ų362 Ų622%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-105.3113.3178179.466.2000109.9V190 I191 Y233 Y255V190-L250 WeakPolarHBondContact CA-O 3.01Å; I191-L250 HydrophobicContact CB-CB 4.23Å; I191-L250 HydrophobicContact CD1-CD2 4.36Å; I191-L250 PolarHBondContact N-O 2.97Å; I191-L250 PolarHBondContact O-N 3.16Å; Y233-L250 HydrophobicContact CD2-CD1 4.16Å; L250-Y255 HydrophobicContact CD1-CE2 3.87Å; L250-Y255 HydrophobicContact CG-CE2 4.49Å
251F97.1Very high95Very high130 Ų13062.4 Ų62.457%0.5736%0.356SS*.EExtended strand (participates in β ladder)trans-84.4114.4-179.1-67.1-95.1000110.5V190 R249 A253 Y255V190-F251 HydrophobicContact CB-CD1 4.47Å; V190-F251 HydrophobicContact CG1-CD1 4.23Å; V190-F251 HydrophobicContact CG1-CE1 4.29Å; V190-F251 HydrophobicContact CG1-CG 4.4Å; V190-F251 HydrophobicContact CG2-CD1 3.42Å; V190-F251 VanDerWaalsContact CG2-CD1 3.42Å; V190-F251 HydrophobicContact CG2-CE1 3.69Å; V190-F251 HydrophobicContact CG2-CG 4.19Å; R249-F251 HydrophobicContact CB-CE2 4.33Å; F251-A253 VanDerWaalsContact C-N 3.33Å; F251-A253 PolarHBondContact O-N 3.3Å; F251-Y255 WeakPolarHBondContact O-CD2 3.45Å; F251-Y255 VanDerWaalsContact O-CE2 3.26Å; F251-Y255 WeakPolarHBondContact O-CE2 3.34Å
252L97.4Very high95.3Very high0 Ų063.7 Ų63.70%035%0.351CS..G310 helixtrans-74.2-24.8-176.9-62.6-179.1000113.3Y185 D189 I191 L211 G254 Y255 L257 L294Y185-L252 HydrophobicContact CG-CD1 4.23Å; D189-L252 HydrophobicContact CB-CD1 4.36Å; D189-L252 VanDerWaalsContact O-CB 3.29Å; D189-L252 WeakPolarHBondContact O-CB 3.02Å; D189-L252 WeakPolarHBondContact O-CG 3.09Å; D189-L252 PolarHBondContact O-N 3.43Å; I191-L252 HydrophobicContact CD1-CD1 4.44Å; I191-L252 HydrophobicContact CD1-CD2 3.93Å; I191-L252 HydrophobicContact CD1-CG 4.49Å; I191-L252 HydrophobicContact CG1-CD1 4.24Å; I191-L252 HydrophobicContact CG1-CD2 4.2Å; I191-L252 HydrophobicContact CG1-CG 4.26Å; L211-L252 HydrophobicContact CD2-CD2 4.03Å; L252-G254 PolarHBondContact O-N 3.03Å; L252-G254 VanDerWaalsContact O-N 3.07Å; L252-Y255 PolarHBondContact O-N 3.35Å; L252-Y255 VanDerWaalsContact O-N 3.1Å; L252-L257 HydrophobicContact CB-CD1 3.76Å; L252-L257 HydrophobicContact CD2-CD1 4.03Å; L252-L257 HydrophobicContact CG-CD1 4.34Å; L252-L294 HydrophobicContact CD1-CD2 4.01Å
253A95.5Very high95.5Very high66 Ų6661.9 Ų61.955%0.54535%0.349SS..G310 helixtrans-63.1-16.8-175.400000114.7K188 F251K188-A253 HydrophobicContact CB-CB 4.06Å; K188-A253 HydrophobicContact CG-CB 4.21Å; F251-A253 VanDerWaalsContact C-N 3.33Å; F251-A253 PolarHBondContact O-N 3.3Å
254G93.2Very high95.8Very high71 Ų7159.1 Ų59.173%0.73232%0.319SS*.G310 helixtrans-85.7-4.9177.900000114.5L252L252-G254 PolarHBondContact O-N 3.03Å; L252-G254 VanDerWaalsContact O-N 3.07Å
255Y94.7Very high95.9Very high73 Ų7357.6 Ų57.629%0.28631%0.313SS..SBendtrans-112.7148.1-177.5-54.7-71.4000111.1V230 A231 L250 F251 L252 L257V230-Y255 HydrophobicContact CG1-CD1 4.37Å; V230-Y255 HydrophobicContact CG1-CG 4.34Å; A231-Y255 HydrophobicContact CB-CD1 3.88Å; A231-Y255 HydrophobicContact CB-CD2 4.34Å; A231-Y255 HydrophobicContact CB-CE1 3.33Å; A231-Y255 HydrophobicContact CB-CE2 3.84Å; A231-Y255 HydrophobicContact CB-CG 4.36Å; L250-Y255 HydrophobicContact CD1-CE2 3.87Å; L250-Y255 HydrophobicContact CG-CE2 4.49Å; F251-Y255 WeakPolarHBondContact O-CD2 3.45Å; F251-Y255 VanDerWaalsContact O-CE2 3.26Å; F251-Y255 WeakPolarHBondContact O-CE2 3.34Å; L252-Y255 PolarHBondContact O-N 3.35Å; L252-Y255 VanDerWaalsContact O-N 3.1Å; Y255-L257 PolarHBondContact O-N 3.07Å; Y255-L257 VanDerWaalsContact O-N 3.1Å
256D92.2Very high95.8Very high123 Ų12363.4 Ų63.466%0.65833%0.332SS*.  trans-79.191.3173.9-170.114000109.6
257L96.1Very high95.8Very high11 Ų1163.1 Ų63.16%0.05833%0.33CS..  trans-112.4141.3-172.6-61.4171.6000111.5L187 L211 V230 L252 Y255 Y272 L294L187-L257 HydrophobicContact CD2-CB 4.07Å; L211-L257 HydrophobicContact CD2-CD1 4.37Å; L211-L257 HydrophobicContact CD2-CD2 3.75Å; V230-L257 HydrophobicContact CG1-CD2 3.82Å; L252-L257 HydrophobicContact CB-CD1 3.76Å; L252-L257 HydrophobicContact CD2-CD1 4.03Å; L252-L257 HydrophobicContact CG-CD1 4.34Å; Y255-L257 PolarHBondContact O-N 3.07Å; Y255-L257 VanDerWaalsContact O-N 3.1Å; L257-Y272 HydrophobicContact CD2-CD1 4.32Å; L257-Y272 HydrophobicContact CD2-CE1 3.68Å; L257-L294 HydrophobicContact CB-CD1 4.18Å; L257-L294 HydrophobicContact CD1-CD1 4.05Å; L257-L294 HydrophobicContact CD2-CD1 4.05Å; L257-L294 HydrophobicContact CG-CD1 4.32Å
258T97.1Very high95.8Very high25 Ų2558.7 Ų58.715%0.15330%0.3CS..  trans-105.1161.4167.968.90000109.8Y121 L187 Y272Y121-T258 HydrophobicContact CD2-CG2 4.05Å; Y121-T258 HydrophobicContact CE2-CG2 4.1Å; L187-T258 WeakPolarHBondContact CD2-O 3.43Å; T258-Y272 PolarHBondContact N-OH 3.48Å; T258-Y272 WeakPolarHBondContact O-CE2 3.49Å; T258-Y272 PolarHBondContact O-OH 2.61Å; T258-Y272 PolarHBondContact OG1-OH 3.35Å
259P97.8Very high95.8Very high13 Ų1359.1 Ų59.18%0.08430%0.303CS..  trans-58.1156.3166.8-25.137.4000111.3E119 L187 M261 L294 R296E119-P259 WeakPolarHBondContact OE1-CD 3.35Å; E119-P259 VanDerWaalsContact OE1-CG 3.28Å; E119-P259 WeakPolarHBondContact OE1-CG 3.37Å; L187-P259 HydrophobicContact CD1-CG 4.28Å; P259-M261 PolarHBondContact O-N 2.96Å; P259-L294 WeakPolarHBondContact CA-O 3.34Å; P259-R296 HydrophobicContact CG-CB 3.94Å
260T98.2Very high95.9Very high21 Ų2151.2 Ų51.213%0.12927%0.273CS..  trans-65.5123.8165.5-63.40000108.7R262 V270 V293 L294T260-R262 HydrophobicContact CG2-CG 4.04Å; T260-V270 CarbonylContact C-O 3.52Å; T260-V270 WeakPolarHBondContact CA-O 3.36Å; T260-V293 HydrophobicContact CG2-CG1 4.46Å; T260-V293 WeakPolarHBondContact OG1-CA 3.36Å; T260-L294 PolarHBondContact N-O 3.1Å; T260-L294 PolarHBondContact OG1-N 2.83Å
261M97.9Very high96Very high16 Ų1654.6 Ų54.68%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-111.8116.9178.9-66.6173.7-171.300107.6E119 Y121 P259 V264 F268 S269 V270E119-M261 HydrophobicContact CB-CE 4.06Å; E119-M261 HydrophobicContact CG-CE 4.01Å; Y121-M261 HydrophobicContact CD2-CE 4Å; Y121-M261 HydrophobicContact CD2-SD 4.08Å; Y121-M261 HydrophobicContact CG-CE 4.24Å; Y121-M261 HydrophobicContact CG-SD 4Å; P259-M261 PolarHBondContact O-N 2.96Å; M261-V264 HydrophobicContact CB-CG2 3.67Å; M261-V264 HydrophobicContact CG-CG2 4.37Å; M261-F268 HydrophobicContact SD-CE2 3.92Å; M261-F268 HydrophobicContact SD-CZ 4.25Å; M261-S269 CarbonylContact O-C 3.52Å; M261-S269 VanDerWaalsContact O-CA 3.22Å; M261-S269 WeakPolarHBondContact O-CA 3.42Å; M261-S269 WeakPolarHBondContact O-CB 2.68Å; M261-V270 HydrophobicContact CB-CB 4.07Å; M261-V270 HydrophobicContact CB-CG2 4.32Å; M261-V270 PolarHBondContact N-O 2.8Å; M261-V270 PolarHBondContact O-N 3.3Å; M261-V270 HydrophobicContact SD-CG2 4.14Å
262R96Very high96.1Very high115 Ų11548.5 Ų48.543%0.43426%0.259SS..EExtended strand (participates in β ladder)trans-109.4124.5-178.9-63.1-172.4-175-79.45.4109.8T260 V264 E291T260-R262 HydrophobicContact CG2-CG 4.04Å; R262-V264 PolarHBondContact O-N 3.35Å; R262-V264 VanDerWaalsContact O-N 3.14Å; R262-E291 IonicContact CZ-OE1 2.68Å; R262-E291 VanDerWaalsContact CZ-OE1 3.23Å; R262-E291 IonicContact CZ-OE2 3.24Å; R262-E291 IonicContact NH1-OE1 3.41Å; R262-E291 PolarHBondContact NH1-OE1 2.92Å; R262-E291 IonicContact NH1-OE2 2.76Å; R262-E291 PolarHBondContact NH1-OE2 2.66Å; R262-E291 IonicContact NH2-OE1 3.77Å; R262-E291 PolarHBondContact NH2-OE1 3.45Å; R262-E291 IonicContact NH2-OE2 3.55Å; R262-E291 PolarHBondContact NH2-OE2 3.41Å
263D94.8Very high96.1Very high118 Ų11849.5 Ų49.563%0.63126%0.263SS*.EExtended strand (participates in β ladder)trans46.645.3172.3-56.4-45000113.3N265 K266 F268 S269D263-N265 PolarHBondContact O-N 2.8Å; D263-K266 PolarHBondContact O-N 2.85Å; D263-F268 CarbonylContact C-O 3.49Å; D263-S269 PolarHBondContact N-OG 2.95Å; D263-S269 PolarHBondContact OD1-OG 2.94Å
264V96.4Very high96.2Very high10 Ų1046.3 Ų46.36%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-60.3112.6-176.8176.50000109.1I76 Y118 L128 M261 R262 K266 K267 F268I76-V264 HydrophobicContact CD1-CG1 4.11Å; Y118-V264 HydrophobicContact CD1-CG1 3.69Å; Y118-V264 HydrophobicContact CD2-CG1 3.98Å; Y118-V264 HydrophobicContact CE1-CG1 4.02Å; Y118-V264 HydrophobicContact CE2-CG1 4.32Å; Y118-V264 HydrophobicContact CG-CG1 3.66Å; L128-V264 HydrophobicContact CD1-CG1 3.57Å; M261-V264 HydrophobicContact CB-CG2 3.67Å; M261-V264 HydrophobicContact CG-CG2 4.37Å; R262-V264 PolarHBondContact O-N 3.35Å; R262-V264 VanDerWaalsContact O-N 3.14Å; V264-K266 PolarHBondContact O-N 3.38Å; V264-K267 PolarHBondContact O-N 2.82Å; V264-F268 HydrophobicContact CB-CD1 3.95Å; V264-F268 HydrophobicContact CB-CE1 3.59Å; V264-F268 HydrophobicContact CB-CE2 4.43Å; V264-F268 HydrophobicContact CB-CZ 3.85Å; V264-F268 HydrophobicContact CG1-CD1 4.23Å; V264-F268 HydrophobicContact CG1-CE1 3.48Å; V264-F268 VanDerWaalsContact CG1-CE1 3.48Å; V264-F268 HydrophobicContact CG1-CZ 3.84Å; V264-F268 HydrophobicContact CG2-CE1 4.32Å; V264-F268 HydrophobicContact CG2-CE2 4.37Å; V264-F268 HydrophobicContact CG2-CZ 4.07Å; V264-F268 PolarHBondContact N-O 2.86Å; V264-F268 PolarHBondContact O-N 2.83Å
265N94.2Very high96.4Very high58 Ų5843.6 Ų43.631%0.3121%0.206SC..THydrogen-bonded Turntrans47.427.9-171.2-15724.6000114.2I76 Y118 D263 K267I76-N265 HydrophobicContact CD1-CB 3.66Å; Y118-N265 HydrophobicContact CE2-CB 4.02Å; Y118-N265 PolarHBondContact OH-N 2.99Å; D263-N265 PolarHBondContact O-N 2.8Å; N265-K267 HydrophobicContact CB-CG 4.34Å; N265-K267 WeakPolarHBondContact O-CG 3.35Å; N265-K267 PolarHBondContact O-N 2.93Å
266K93.3Very high96.5Very high171 Ų17140.1 Ų40.174%0.74319%0.192SC*.THydrogen-bonded Turntrans55.625.9-171.4-52.4174.8-179.6174.40114I219 D263 V264I219-K266 WeakPolarHBondContact CG1-O 3.07Å; D263-K266 PolarHBondContact O-N 2.85Å; V264-K266 PolarHBondContact O-N 3.38Å
267K93.4Very high96.6Very high36 Ų3634.8 Ų34.816%0.15716%0.164CC..THydrogen-bonded Turntrans-107.2-39.3-178.8-63.3-61.4175.2171.20113.1I76 H86 G218 I219 V264 N265I76-K267 HydrophobicContact CD1-CB 4.21Å; I76-K267 HydrophobicContact CD1-CG 4.13Å; I76-K267 HydrophobicContact CG2-CB 4.3Å; H86-K267 WeakPolarHBondContact CD2-CE 3.48Å; H86-K267 PolarHBondContact CD2-NZ 2.89Å; H86-K267 PolarHBondContact CE1-NZ 2.83Å; H86-K267 WeakPolarHBondContact NE2-CE 3.49Å; H86-K267 PolarHBondContact NE2-NZ 2.81Å; G218-K267 PolarHBondContact N-O 2.82Å; I219-K267 HydrophobicContact CD1-CD 4.23Å; V264-K267 PolarHBondContact O-N 2.82Å; N265-K267 HydrophobicContact CB-CG 4.34Å; N265-K267 WeakPolarHBondContact O-CG 3.35Å; N265-K267 PolarHBondContact O-N 2.93Å
268F96.3Very high96.4Very high5 Ų534.4 Ų34.42%0.02216%0.162CC..EExtended strand (participates in β ladder)trans-153.8164.8-179.475.9-80.6000113.2I76 Y121 V126 L128 I216 T217 M261 D263 V264 V270I76-F268 HydrophobicContact CD1-CD1 4.44Å; I76-F268 HydrophobicContact CD1-CE1 4.1Å; I76-F268 HydrophobicContact CG1-CE1 4.4Å; I76-F268 HydrophobicContact CG2-CD1 4.24Å; I76-F268 HydrophobicContact CG2-CE1 4.28Å; Y121-F268 HydrophobicContact CD1-CD2 4.46Å; Y121-F268 AromaticContact CD1-CE2 3.71Å; Y121-F268 HydrophobicContact CD1-CE2 3.71Å; Y121-F268 HydrophobicContact CD1-CZ 4.18Å; Y121-F268 HydrophobicContact CE1-CE2 4.19Å; Y121-F268 HydrophobicContact CG-CE2 4.29Å; V126-F268 HydrophobicContact CB-CG 4.43Å; V126-F268 HydrophobicContact CG1-CB 4.12Å; V126-F268 HydrophobicContact CG1-CD1 4.38Å; V126-F268 HydrophobicContact CG1-CD2 3.76Å; V126-F268 HydrophobicContact CG1-CE2 4.23Å; V126-F268 HydrophobicContact CG1-CG 3.84Å; V126-F268 HydrophobicContact CG2-CB 4.37Å; V126-F268 HydrophobicContact CG2-CD1 3.67Å; V126-F268 HydrophobicContact CG2-CE1 4Å; V126-F268 HydrophobicContact CG2-CG 3.95Å; L128-F268 HydrophobicContact CB-CE1 4.34Å; L128-F268 HydrophobicContact CB-CZ 4.2Å; L128-F268 HydrophobicContact CD1-CE1 4Å; L128-F268 HydrophobicContact CD1-CZ 4.04Å; I216-F268 CarbonylContact O-C 3.55Å; I216-F268 WeakPolarHBondContact O-CA 3.42Å; I216-F268 VanDerWaalsContact O-CB 3.24Å; I216-F268 WeakPolarHBondContact O-CB 3.4Å; T217-F268 HydrophobicContact CG2-CB 3.95Å; M261-F268 HydrophobicContact SD-CE2 3.92Å; M261-F268 HydrophobicContact SD-CZ 4.25Å; D263-F268 CarbonylContact C-O 3.49Å; V264-F268 HydrophobicContact CB-CD1 3.95Å; V264-F268 HydrophobicContact CB-CE1 3.59Å; V264-F268 HydrophobicContact CB-CE2 4.43Å; V264-F268 HydrophobicContact CB-CZ 3.85Å; V264-F268 HydrophobicContact CG1-CD1 4.23Å; V264-F268 HydrophobicContact CG1-CE1 3.48Å; V264-F268 VanDerWaalsContact CG1-CE1 3.48Å; V264-F268 HydrophobicContact CG1-CZ 3.84Å; V264-F268 HydrophobicContact CG2-CE1 4.32Å; V264-F268 HydrophobicContact CG2-CE2 4.37Å; V264-F268 HydrophobicContact CG2-CZ 4.07Å; V264-F268 PolarHBondContact N-O 2.86Å; V264-F268 PolarHBondContact O-N 2.83Å; F268-V270 HydrophobicContact CD2-CG2 4.01Å; F268-V270 HydrophobicContact CE2-CG2 3.92Å
269S97.9Very high96.2Very high10 Ų1033.9 Ų33.97%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-134.8146.8170.6-740000110.6E215 I216 M261 D263E215-S269 CarbonylContact C-O 3.54Å; E215-S269 WeakPolarHBondContact CA-O 3.32Å; I216-S269 PolarHBondContact N-O 3.25Å; I216-S269 PolarHBondContact O-N 2.76Å; M261-S269 CarbonylContact O-C 3.52Å; M261-S269 VanDerWaalsContact O-CA 3.22Å; M261-S269 WeakPolarHBondContact O-CA 3.42Å; M261-S269 WeakPolarHBondContact O-CB 2.68Å; D263-S269 PolarHBondContact N-OG 2.95Å; D263-S269 PolarHBondContact OD1-OG 2.94Å
270V98.4Very high95.9Very high0 Ų033.4 Ų33.40%016%0.156CC..EExtended strand (participates in β ladder)trans-122.6112.9169.1-1760000107.7Y121 K213 K214 T260 M261 F268 Y272Y121-V270 HydrophobicContact CD1-CG2 4.3Å; Y121-V270 HydrophobicContact CD2-CG2 4.34Å; Y121-V270 HydrophobicContact CE1-CG2 3.75Å; Y121-V270 HydrophobicContact CE2-CG1 4.38Å; Y121-V270 HydrophobicContact CE2-CG2 3.81Å; K213-V270 HydrophobicContact CD-CG1 4.37Å; K213-V270 HydrophobicContact CG-CG1 4.03Å; K214-V270 WeakPolarHBondContact O-CA 3.21Å; T260-V270 CarbonylContact C-O 3.52Å; T260-V270 WeakPolarHBondContact CA-O 3.36Å; M261-V270 HydrophobicContact CB-CB 4.07Å; M261-V270 HydrophobicContact CB-CG2 4.32Å; M261-V270 PolarHBondContact N-O 2.8Å; M261-V270 PolarHBondContact O-N 3.3Å; M261-V270 HydrophobicContact SD-CG2 4.14Å; F268-V270 HydrophobicContact CD2-CG2 4.01Å; F268-V270 HydrophobicContact CE2-CG2 3.92Å; V270-Y272 HydrophobicContact CG1-CE2 3.95Å
271R98.5Very high95.6Very high75 Ų7538 Ų3828%0.28318%0.176SC..EExtended strand (participates in β ladder)trans-123.2145.7-173.1-63.2177.769.9-178.43.9110.6K213 K214 F273 E291K213-R271 CarbonylContact C-O 3.55Å; K213-R271 WeakPolarHBondContact CA-O 3.47Å; K214-R271 PolarHBondContact N-O 2.88Å; K214-R271 PolarHBondContact O-N 2.76Å; R271-F273 HydrophobicContact CB-CD2 4.42Å; R271-F273 HydrophobicContact CB-CE2 3.53Å; R271-F273 HydrophobicContact CB-CZ 4.04Å; R271-E291 IonicContact CZ-OE1 2.81Å; R271-E291 IonicContact CZ-OE2 2.77Å; R271-E291 IonicContact NE-OE1 2.66Å; R271-E291 PolarHBondContact NE-OE1 2.88Å; R271-E291 IonicContact NE-OE2 3.34Å; R271-E291 IonicContact NH2-OE1 3.15Å; R271-E291 PolarHBondContact NH2-OE1 2.95Å; R271-E291 IonicContact NH2-OE2 2.66Å; R271-E291 PolarHBondContact NH2-OE2 3.15Å
272Y98.6Very high95.3Very high1 Ų143.6 Ų43.60%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-118.1140.1-177.7-71.3-89.4000110.6L211 I212 K213 L257 T258 V270 E291 I292 L294L211-Y272 HydrophobicContact CD1-CD1 4.32Å; I212-Y272 CarbonylContact O-C 3.58Å; I212-Y272 WeakPolarHBondContact O-CA 3.24Å; K213-Y272 HydrophobicContact CB-CD1 4.11Å; K213-Y272 HydrophobicContact CB-CE1 3.78Å; K213-Y272 HydrophobicContact CD-CE1 4.27Å; K213-Y272 HydrophobicContact CG-CE1 3.93Å; L257-Y272 HydrophobicContact CD2-CD1 4.32Å; L257-Y272 HydrophobicContact CD2-CE1 3.68Å; T258-Y272 PolarHBondContact N-OH 3.48Å; T258-Y272 WeakPolarHBondContact O-CE2 3.49Å; T258-Y272 PolarHBondContact O-OH 2.61Å; T258-Y272 PolarHBondContact OG1-OH 3.35Å; V270-Y272 HydrophobicContact CG1-CE2 3.95Å; Y272-E291 WeakPolarHBondContact O-CA 3.42Å; Y272-E291 VanDerWaalsContact O-CG 3.29Å; Y272-E291 WeakPolarHBondContact O-CG 3.42Å; Y272-I292 PolarHBondContact O-N 2.66Å; Y272-L294 HydrophobicContact CD1-CD1 3.59Å; Y272-L294 HydrophobicContact CD1-CG 4.41Å; Y272-L294 HydrophobicContact CD2-CB 4.13Å; Y272-L294 HydrophobicContact CD2-CD1 3.61Å; Y272-L294 HydrophobicContact CD2-CG 3.82Å; Y272-L294 HydrophobicContact CE1-CD1 3.82Å; Y272-L294 HydrophobicContact CE2-CB 4.47Å; Y272-L294 HydrophobicContact CE2-CD1 3.85Å; Y272-L294 HydrophobicContact CE2-CG 4.41Å; Y272-L294 HydrophobicContact CG-CD1 3.47Å; Y272-L294 VanDerWaalsContact CG-CD1 3.47Å; Y272-L294 HydrophobicContact CG-CG 3.82Å
273F98.3Very high95.1Very high21 Ų2144 Ų449%0.09221%0.212CC..EExtended strand (participates in β ladder)trans-138138.9-175.6-61.6-98.1000110.9I212 K214 R271 Q289 Q290 E291I212-F273 HydrophobicContact CB-CB 4.47Å; I212-F273 PolarHBondContact N-O 2.97Å; I212-F273 PolarHBondContact O-N 2.78Å; K214-F273 HydrophobicContact CB-CE2 4.09Å; K214-F273 HydrophobicContact CD-CD2 4.04Å; K214-F273 HydrophobicContact CD-CE2 3.68Å; K214-F273 HydrophobicContact CD-CZ 4.34Å; K214-F273 HydrophobicContact CG-CD2 4.14Å; K214-F273 HydrophobicContact CG-CE2 4.01Å; R271-F273 HydrophobicContact CB-CD2 4.42Å; R271-F273 HydrophobicContact CB-CE2 3.53Å; R271-F273 HydrophobicContact CB-CZ 4.04Å; F273-Q289 HydrophobicContact CB-CG 3.46Å; F273-Q289 VanDerWaalsContact CB-CG 3.46Å; F273-Q289 HydrophobicContact CD1-CG 3.66Å; F273-Q289 HydrophobicContact CG-CG 3.82Å; F273-Q290 CarbonylContact C-O 3.55Å; F273-Q290 VanDerWaalsContact CA-O 3.32Å; F273-Q290 WeakPolarHBondContact CA-O 3.26Å; F273-E291 VanDerWaalsContact CD1-CA 3.48Å; F273-E291 HydrophobicContact CD1-CB 3.74Å; F273-E291 HydrophobicContact CD1-CG 4.21Å; F273-E291 HydrophobicContact CE1-CB 3.61Å; F273-E291 HydrophobicContact CE1-CG 3.97Å; F273-E291 HydrophobicContact CZ-CB 4.35Å; F273-E291 HydrophobicContact CZ-CG 4.22Å
274L98Very high94.9Very high0 Ų042.9 Ų42.90%020%0.2CC..EExtended strand (participates in β ladder)trans-84125.2161.1-68.2-179.2000108.2F178 Y180 I191 L209 Q210 L211 Q289 Q290 I292F178-L274 HydrophobicContact CE1-CD1 4.12Å; Y180-L274 HydrophobicContact CD1-CD1 4.15Å; Y180-L274 HydrophobicContact CD2-CD1 4.2Å; Y180-L274 HydrophobicContact CE1-CD1 4Å; Y180-L274 HydrophobicContact CE2-CD1 4.01Å; Y180-L274 HydrophobicContact CG-CD1 4.23Å; I191-L274 HydrophobicContact CD1-CD1 4.15Å; I191-L274 HydrophobicContact CD1-CD2 3.83Å; I191-L274 HydrophobicContact CD1-CG 4.38Å; I191-L274 HydrophobicContact CG2-CD1 4.11Å; L209-L274 HydrophobicContact CD1-CB 4.21Å; L209-L274 HydrophobicContact CD1-CD2 4.44Å; L209-L274 HydrophobicContact CD2-CD2 4.39Å; L209-L274 HydrophobicContact CG-CD2 4.45Å; Q210-L274 WeakPolarHBondContact O-CA 3.39Å; L211-L274 HydrophobicContact CD1-CD2 4.27Å; L274-Q289 CarbonylContact O-C 3.47Å; L274-Q289 WeakPolarHBondContact O-CA 3.47Å; L274-Q290 PolarHBondContact N-O 3.11Å; L274-Q290 PolarHBondContact O-N 3.25Å; L274-I292 HydrophobicContact CD1-CG2 3.94Å; L274-I292 HydrophobicContact CD2-CD1 4.29Å; L274-I292 HydrophobicContact CG-CD1 4.13Å; L274-I292 HydrophobicContact CG-CG2 3.95Å
275N97.3Very high94.7Very high13 Ų1351.6 Ų51.67%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-120.3107.8178-176.148.5000108.8Q210 I212 V277 K288 Q289Q210-N275 HydrophobicContact CB-CB 4.19Å; Q210-N275 PolarHBondContact N-O 2.7Å; Q210-N275 PolarHBondContact O-N 3.1Å; Q210-N275 PolarHBondContact OE1-ND2 3.07Å; I212-N275 HydrophobicContact CD1-CB 3.51Å; I212-N275 HydrophobicContact CG1-CB 4.07Å; N275-V277 WeakPolarHBondContact ND2-CG2 3.16Å; N275-K288 WeakPolarHBondContact CA-O 3.41Å; N275-K288 PolarHBondContact OD1-O 2.89Å; N275-Q289 HydrophobicContact CB-CB 4.48Å; N275-Q289 HydrophobicContact CB-CG 4.27Å
276L95.6Very high94.6Very high0 Ų051.2 Ų51.20%023%0.226CC..EExtended strand (participates in β ladder)trans-83.6122.7173.5178.965.9000107.7M166 V168 I176 F178 I195 M207 L209 I235 L278 F287 K288M166-L276 HydrophobicContact CE-CB 3.53Å; V168-L276 HydrophobicContact CG2-CD2 3.9Å; I176-L276 HydrophobicContact CG2-CD2 4.44Å; F178-L276 HydrophobicContact CB-CD2 4.07Å; I195-L276 HydrophobicContact CD1-CD1 4.15Å; M207-L276 HydrophobicContact CG-CD1 4.16Å; M207-L276 HydrophobicContact SD-CD1 4.27Å; L209-L276 HydrophobicContact CD1-CB 4.46Å; I235-L276 HydrophobicContact CD1-CD1 4.07Å; L276-L278 HydrophobicContact CD2-CD1 4.39Å; L276-L278 HydrophobicContact CG-CD1 4.12Å; L276-F287 CarbonylContact O-C 3.55Å; L276-F287 WeakPolarHBondContact O-CA 3.42Å; L276-K288 PolarHBondContact N-O 2.81Å; L276-K288 PolarHBondContact O-N 3.38Å
277V94.4Very high94.6Very high12 Ų1249.9 Ų49.97%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-120.4134-177.4-177.90000109.2M207 E208 Q210 N275 Y286 F287M207-V277 WeakPolarHBondContact CA-O 2.89Å; E208-V277 HydrophobicContact CG-CB 3.75Å; E208-V277 HydrophobicContact CG-CG1 4.38Å; E208-V277 HydrophobicContact CG-CG2 4.41Å; E208-V277 PolarHBondContact N-O 2.85Å; E208-V277 PolarHBondContact O-N 3.38Å; Q210-V277 HydrophobicContact CG-CG2 4.41Å; N275-V277 WeakPolarHBondContact ND2-CG2 3.16Å; V277-Y286 CarbonylContact C-O 3.38Å; V277-Y286 WeakPolarHBondContact CA-O 3.39Å; V277-F287 HydrophobicContact CG2-CB 4.2Å
278L92.1Very high94.6Very high2 Ų253 Ų531%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-127.3140174.7-54.9100.2000109.7V168 I176 I204 H206 M207 L276 R285 Y286V168-L278 HydrophobicContact CB-CD1 4.25Å; V168-L278 HydrophobicContact CG1-CD1 3.96Å; V168-L278 HydrophobicContact CG2-CD1 4.05Å; I176-L278 HydrophobicContact CD1-CD2 3.29Å; I204-L278 HydrophobicContact CD1-CD2 4.12Å; H206-L278 WeakPolarHBondContact O-CA 3.28Å; M207-L278 HydrophobicContact CG-CD2 4.17Å; M207-L278 HydrophobicContact CG-CG 4.07Å; M207-L278 HydrophobicContact SD-CD2 3.83Å; M207-L278 HydrophobicContact SD-CG 4.3Å; L276-L278 HydrophobicContact CD2-CD1 4.39Å; L276-L278 HydrophobicContact CG-CD1 4.12Å; L278-R285 WeakPolarHBondContact O-CA 3.32Å; L278-Y286 PolarHBondContact N-O 3.36Å; L278-Y286 PolarHBondContact O-N 2.81Å
279V92.6Very high94.6Very high15 Ų1555.2 Ų55.29%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-126131.7174.2-167.50000108Q205 H206 R284 R285Q205-V279 PolarHBondContact N-O 2.84Å; H206-V279 HydrophobicContact CB-CB 4.21Å; H206-V279 HydrophobicContact CB-CG2 4.46Å; H206-V279 PolarHBondContact N-O 3.5Å; H206-V279 PolarHBondContact O-N 3.17Å; V279-R284 WeakPolarHBondContact CA-O 3.42Å; V279-R285 HydrophobicContact CG2-CG 4.24Å
280D91.4Very high94.6Very high2 Ų258.4 Ų58.41%0.01126%0.258CS..EExtended strand (participates in β ladder)trans-97.2176.2175.468.615.8000112.8I202 K203 Q205 E282 D283 R284 Y286I202-D280 HydrophobicContact CG2-CB 3.64Å; K203-D280 WeakPolarHBondContact O-CA 3.38Å; K203-D280 VanDerWaalsContact O-CB 3.26Å; K203-D280 WeakPolarHBondContact O-CB 3.42Å; Q205-D280 PolarHBondContact OE1-O 3.01Å; D280-E282 PolarHBondContact O-N 2.96Å; D280-E282 VanDerWaalsContact O-N 3.09Å; D280-E282 WeakPolarHBondContact OD1-CA 3.36Å; D280-E282 PolarHBondContact OD1-N 2.83Å; D280-D283 PolarHBondContact O-N 2.9Å; D280-D283 PolarHBondContact OD1-N 3.45Å; D280-R284 PolarHBondContact N-O 3.07Å; D280-R284 WeakPolarHBondContact OD1-CB 3.35Å; D280-R284 PolarHBondContact OD1-N 2.82Å; D280-R284 IonicContact OD1-NE 3.84Å; D280-R284 IonicContact OD2-CZ 3.78Å; D280-R284 IonicContact OD2-NE 2.7Å; D280-R284 PolarHBondContact OD2-NE 2.92Å; D280-R284 IonicContact OD2-NH2 3.75Å; D280-R284 PolarHBondContact OD2-NH2 2.76Å; D280-Y286 HydrophobicContact CB-CE2 4.46Å; D280-Y286 PolarHBondContact OD2-OH 2.79Å
281E91.2Very high94.5Very high119 Ų11960 Ų6056%0.55627%0.265SS*.THydrogen-bonded Turntrans-62-12.9179.3-70.8-171.8169.300114.4K203K203-E281 HydrophobicContact CB-CG 3.9Å; K203-E281 HydrophobicContact CD-CG 4.34Å; K203-E281 VanDerWaalsContact CD-OE1 3.3Å; K203-E281 WeakPolarHBondContact CD-OE1 3.47Å; K203-E281 WeakPolarHBondContact CD-OE2 3.38Å; K203-E281 IonicContact NZ-OE1 3.59Å; K203-E281 PolarHBondContact NZ-OE1 2.83Å; K203-E281 IonicContact NZ-OE2 3.52Å; K203-E281 PolarHBondContact NZ-OE2 2.89Å; K203-E281 PolarHBondContact O-N 2.91Å
282E92.2Very high94.5Very high133 Ų13356.4 Ų56.462%0.62125%0.252SS*.THydrogen-bonded Turntrans-98.614.9176.4-67.3175-148.200112D280 R284D280-E282 PolarHBondContact O-N 2.96Å; D280-E282 VanDerWaalsContact O-N 3.09Å; D280-E282 WeakPolarHBondContact OD1-CA 3.36Å; D280-E282 PolarHBondContact OD1-N 2.83Å; E282-R284 HydrophobicContact CB-CG 4.06Å; E282-R284 PolarHBondContact O-N 2.84Å; E282-R284 VanDerWaalsContact O-N 3.14Å; E282-R284 IonicContact OE1-CZ 3.34Å; E282-R284 IonicContact OE1-NH1 2.84Å; E282-R284 IonicContact OE1-NH2 2.88Å; E282-R284 IonicContact OE2-CZ 3.77Å; E282-R284 IonicContact OE2-NE 2.96Å; E282-R284 IonicContact OE2-NH1 2.96Å; E282-R284 PolarHBondContact OE2-NH1 2.66Å; E282-R284 IonicContact OE2-NH2 3.04Å
283D91.8Very high94.4Very high123 Ų12358.2 Ų58.266%0.65826%0.263SS*.  trans59.517.1-175-70.3-56.6000114.2D280D280-D283 PolarHBondContact O-N 2.9Å; D280-D283 PolarHBondContact OD1-N 3.45Å
284R91.6Very high94.4Very high95 Ų9557.3 Ų57.336%0.35826%0.259SS..  trans-76.3132.9176.5-55.2-179.3-60.8-146.2-3.1109.2V279 D280 E282 Y286V279-R284 WeakPolarHBondContact CA-O 3.42Å; D280-R284 PolarHBondContact N-O 3.07Å; D280-R284 WeakPolarHBondContact OD1-CB 3.35Å; D280-R284 PolarHBondContact OD1-N 2.82Å; D280-R284 IonicContact OD1-NE 3.84Å; D280-R284 IonicContact OD2-CZ 3.78Å; D280-R284 IonicContact OD2-NE 2.7Å; D280-R284 PolarHBondContact OD2-NE 2.92Å; D280-R284 IonicContact OD2-NH2 3.75Å; D280-R284 PolarHBondContact OD2-NH2 2.76Å; E282-R284 HydrophobicContact CB-CG 4.06Å; E282-R284 PolarHBondContact O-N 2.84Å; E282-R284 VanDerWaalsContact O-N 3.14Å; E282-R284 IonicContact OE1-CZ 3.34Å; E282-R284 IonicContact OE1-NH1 2.84Å; E282-R284 IonicContact OE1-NH2 2.88Å; E282-R284 IonicContact OE2-CZ 3.77Å; E282-R284 IonicContact OE2-NE 2.96Å; E282-R284 IonicContact OE2-NH1 2.96Å; E282-R284 PolarHBondContact OE2-NH1 2.66Å; E282-R284 IonicContact OE2-NH2 3.04Å; R284-Y286 HydrophobicContact CB-CE2 4.13Å; R284-Y286 PolarHBondContact NE-OH 2.92Å; R284-Y286 VanDerWaalsContact NE-OH 3.14Å
285R92.4Very high94.4Very high192 Ų19258.2 Ų58.273%0.72526%0.263SS*.EExtended strand (participates in β ladder)trans-104.6124.9-176.7-66.7-174.9165.2-163.7-4.8111.6L278 V279L278-R285 WeakPolarHBondContact O-CA 3.32Å; V279-R285 HydrophobicContact CG2-CG 4.24Å
286Y91.2Very high94.3Very high51 Ų5160.2 Ų60.220%0.227%0.269CS..EExtended strand (participates in β ladder)trans-114.4132.4172.1-50.4-78.2000108.6I170 V277 L278 D280 R284I170-Y286 HydrophobicContact CD1-CD1 3.57Å; I170-Y286 HydrophobicContact CD1-CD2 4.43Å; I170-Y286 HydrophobicContact CD1-CE1 3.16Å; I170-Y286 HydrophobicContact CD1-CE2 4.08Å; I170-Y286 HydrophobicContact CD1-CG 4.18Å; I170-Y286 VanDerWaalsContact CD1-CZ 3.43Å; I170-Y286 HydrophobicContact CG1-CD1 4.23Å; I170-Y286 HydrophobicContact CG1-CE1 4.11Å; V277-Y286 CarbonylContact C-O 3.38Å; V277-Y286 WeakPolarHBondContact CA-O 3.39Å; L278-Y286 PolarHBondContact N-O 3.36Å; L278-Y286 PolarHBondContact O-N 2.81Å; D280-Y286 HydrophobicContact CB-CE2 4.46Å; D280-Y286 PolarHBondContact OD2-OH 2.79Å; R284-Y286 HydrophobicContact CB-CE2 4.13Å; R284-Y286 PolarHBondContact NE-OH 2.92Å; R284-Y286 VanDerWaalsContact NE-OH 3.14Å
287F92.8Very high94.1Very high142 Ų14263.8 Ų63.862%0.62329%0.285SS*.EExtended strand (participates in β ladder)trans-144.1148.2177.863.6-84.8000111.8L276 V277L276-F287 CarbonylContact O-C 3.55Å; L276-F287 WeakPolarHBondContact O-CA 3.42Å; V277-F287 HydrophobicContact CG2-CB 4.2Å
288K95Very high93.8Very high101 Ų10163.7 Ų63.744%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-134.9131.9170.2-171.175.2171.4-168.40108.5M166 V168 N275 L276M166-K288 WeakPolarHBondContact CE-O 3.38Å; M166-K288 HydrophobicContact CG-CB 4Å; M166-K288 HydrophobicContact CG-CG 3.39Å; M166-K288 VanDerWaalsContact SD-C 3.58Å; M166-K288 HydrophobicContact SD-CB 3.84Å; M166-K288 HydrophobicContact SD-CG 3.54Å; M166-K288 VanDerWaalsContact SD-CG 3.54Å; V168-K288 HydrophobicContact CG2-CB 3.58Å; N275-K288 WeakPolarHBondContact CA-O 3.41Å; N275-K288 PolarHBondContact OD1-O 2.89Å; L276-K288 PolarHBondContact N-O 2.81Å; L276-K288 PolarHBondContact O-N 3.38Å
289Q95.9Very high93.3Very high53 Ų5366 Ų6625%0.24830%0.3CS..EExtended strand (participates in β ladder)trans-115.6135.8-177.6-170.4173.248.600110F273 L274 N275F273-Q289 HydrophobicContact CB-CG 3.46Å; F273-Q289 VanDerWaalsContact CB-CG 3.46Å; F273-Q289 HydrophobicContact CD1-CG 3.66Å; F273-Q289 HydrophobicContact CG-CG 3.82Å; L274-Q289 CarbonylContact O-C 3.47Å; L274-Q289 WeakPolarHBondContact O-CA 3.47Å; N275-Q289 HydrophobicContact CB-CB 4.48Å; N275-Q289 HydrophobicContact CB-CG 4.27Å
290Q97Very high92.4Very high76 Ų7672.1 Ų72.136%0.35533%0.328SS..EExtended strand (participates in β ladder)trans-135.5133.8175.4-174.259.851.800110.2I164 M166 Y180 F273 L274I164-Q290 HydrophobicContact CD1-CG 4.38Å; I164-Q290 HydrophobicContact CG2-CG 3.93Å; M166-Q290 HydrophobicContact SD-CB 3.66Å; Y180-Q290 WeakPolarHBondContact OH-CG 3.49Å; F273-Q290 CarbonylContact C-O 3.55Å; F273-Q290 VanDerWaalsContact CA-O 3.32Å; F273-Q290 WeakPolarHBondContact CA-O 3.26Å; L274-Q290 PolarHBondContact N-O 3.11Å; L274-Q290 PolarHBondContact O-N 3.25Å
291E97.4Very high91.4Very high33 Ų3380.8 Ų80.815%0.15437%0.365CS..EExtended strand (participates in β ladder)trans-71.4138.2179.8-167.5-178.1-160.100111.1R262 R271 Y272 F273R262-E291 IonicContact CZ-OE1 2.68Å; R262-E291 VanDerWaalsContact CZ-OE1 3.23Å; R262-E291 IonicContact CZ-OE2 3.24Å; R262-E291 IonicContact NH1-OE1 3.41Å; R262-E291 PolarHBondContact NH1-OE1 2.92Å; R262-E291 IonicContact NH1-OE2 2.76Å; R262-E291 PolarHBondContact NH1-OE2 2.66Å; R262-E291 IonicContact NH2-OE1 3.77Å; R262-E291 PolarHBondContact NH2-OE1 3.45Å; R262-E291 IonicContact NH2-OE2 3.55Å; R262-E291 PolarHBondContact NH2-OE2 3.41Å; R271-E291 IonicContact CZ-OE1 2.81Å; R271-E291 IonicContact CZ-OE2 2.77Å; R271-E291 IonicContact NE-OE1 2.66Å; R271-E291 PolarHBondContact NE-OE1 2.88Å; R271-E291 IonicContact NE-OE2 3.34Å; R271-E291 IonicContact NH2-OE1 3.15Å; R271-E291 PolarHBondContact NH2-OE1 2.95Å; R271-E291 IonicContact NH2-OE2 2.66Å; R271-E291 PolarHBondContact NH2-OE2 3.15Å; Y272-E291 WeakPolarHBondContact O-CA 3.42Å; Y272-E291 VanDerWaalsContact O-CG 3.29Å; Y272-E291 WeakPolarHBondContact O-CG 3.42Å; F273-E291 VanDerWaalsContact CD1-CA 3.48Å; F273-E291 HydrophobicContact CD1-CB 3.74Å; F273-E291 HydrophobicContact CD1-CG 4.21Å; F273-E291 HydrophobicContact CE1-CB 3.61Å; F273-E291 HydrophobicContact CE1-CG 3.97Å; F273-E291 HydrophobicContact CZ-CB 4.35Å; F273-E291 HydrophobicContact CZ-CG 4.22Å
292I97.5Very high90.2Very high0 Ų077.3 Ų77.30%035%0.351CS..EExtended strand (participates in β ladder)trans-118.2148.6164.861.4167.9000109.6Y180 Y185 I191 L211 Y272 L274 L294Y180-I292 HydrophobicContact CE2-CG2 3.92Å; Y185-I292 HydrophobicContact CD2-CB 4.36Å; Y185-I292 HydrophobicContact CD2-CD1 4.24Å; Y185-I292 HydrophobicContact CE2-CG2 4.23Å; I191-I292 HydrophobicContact CD1-CD1 3.74Å; L211-I292 HydrophobicContact CD1-CD1 3.9Å; Y272-I292 PolarHBondContact O-N 2.66Å; L274-I292 HydrophobicContact CD1-CG2 3.94Å; L274-I292 HydrophobicContact CD2-CD1 4.29Å; L274-I292 HydrophobicContact CG-CD1 4.13Å; L274-I292 HydrophobicContact CG-CG2 3.95Å; I292-L294 HydrophobicContact CD1-CD2 3.92Å; I292-L294 HydrophobicContact CG1-CD2 4.42Å
293V97.5Very high88.7Confident40 Ų4075.4 Ų75.424%0.24234%0.338CS..EExtended strand (participates in β ladder)trans-99120.8176.6-178.40000109.5S183 K184 Y185 T260S183-V293 PolarHBondContact O-N 2.88Å; K184-V293 CarbonylContact C-O 3.46Å; K184-V293 VanDerWaalsContact CA-O 3.26Å; K184-V293 WeakPolarHBondContact CA-O 3.46Å; K184-V293 HydrophobicContact CB-CB 4.38Å; K184-V293 HydrophobicContact CG-CB 4.02Å; K184-V293 HydrophobicContact CG-CG2 4.47Å; Y185-V293 PolarHBondContact N-O 3.31Å; T260-V293 HydrophobicContact CG2-CG1 4.46Å; T260-V293 WeakPolarHBondContact OG1-CA 3.36Å
294L97.9Very high87Confident2 Ų277 Ų771%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-93.1138.6171.8-60.5-167.8000110.3Y185 L187 L252 L257 P259 T260 Y272 I292Y185-L294 CarbonylContact O-C 3.52Å; Y185-L294 VanDerWaalsContact O-CA 3.3Å; Y185-L294 WeakPolarHBondContact O-CA 3.19Å; L187-L294 HydrophobicContact CD2-CB 4Å; L252-L294 HydrophobicContact CD1-CD2 4.01Å; L257-L294 HydrophobicContact CB-CD1 4.18Å; L257-L294 HydrophobicContact CD1-CD1 4.05Å; L257-L294 HydrophobicContact CD2-CD1 4.05Å; L257-L294 HydrophobicContact CG-CD1 4.32Å; P259-L294 WeakPolarHBondContact CA-O 3.34Å; T260-L294 PolarHBondContact N-O 3.1Å; T260-L294 PolarHBondContact OG1-N 2.83Å; Y272-L294 HydrophobicContact CD1-CD1 3.59Å; Y272-L294 HydrophobicContact CD1-CG 4.41Å; Y272-L294 HydrophobicContact CD2-CB 4.13Å; Y272-L294 HydrophobicContact CD2-CD1 3.61Å; Y272-L294 HydrophobicContact CD2-CG 3.82Å; Y272-L294 HydrophobicContact CE1-CD1 3.82Å; Y272-L294 HydrophobicContact CE2-CB 4.47Å; Y272-L294 HydrophobicContact CE2-CD1 3.85Å; Y272-L294 HydrophobicContact CE2-CG 4.41Å; Y272-L294 HydrophobicContact CG-CD1 3.47Å; Y272-L294 VanDerWaalsContact CG-CD1 3.47Å; Y272-L294 HydrophobicContact CG-CG 3.82Å; I292-L294 HydrophobicContact CD1-CD2 3.92Å; I292-L294 HydrophobicContact CG1-CD2 4.42Å
295W96.7Very high85.2Confident18 Ų1881.2 Ų81.27%0.06836%0.355CS..EExtended strand (participates in β ladder)trans-140.4151.8179.661.4-81.3000112.9A155 Y157 Y185 H186 L187 K297A155-W295 HydrophobicContact CB-CB 4.19Å; A155-W295 HydrophobicContact CB-CD2 4.48Å; A155-W295 HydrophobicContact CB-CE3 3.87Å; A155-W295 WeakPolarHBondContact O-CZ3 3.23Å; Y157-W295 AromaticContact CD1-CH2 3.73Å; Y157-W295 HydrophobicContact CD1-CH2 3.73Å; Y157-W295 AromaticContact CD1-CZ2 3.78Å; Y157-W295 HydrophobicContact CD1-CZ2 3.78Å; Y157-W295 HydrophobicContact CD2-CH2 4.05Å; Y157-W295 AromaticContact CE1-CH2 3.92Å; Y157-W295 HydrophobicContact CE1-CH2 3.92Å; Y157-W295 HydrophobicContact CE1-CZ2 4Å; Y157-W295 HydrophobicContact CE2-CH2 4.23Å; Y157-W295 AromaticContact CG-CH2 3.81Å; Y157-W295 HydrophobicContact CG-CH2 3.81Å; Y157-W295 HydrophobicContact CG-CZ2 4.26Å; Y185-W295 PolarHBondContact O-N 2.82Å; Y185-W295 PolarHBondContact O-NE1 2.79Å; H186-W295 CarbonylContact C-O 3.56Å; H186-W295 WeakPolarHBondContact CA-O 3.25Å; H186-W295 HydrophobicContact CB-CD2 4.08Å; H186-W295 HydrophobicContact CB-CE3 4.4Å; H186-W295 HydrophobicContact CB-CH2 4.29Å; H186-W295 HydrophobicContact CB-CZ2 3.92Å; L187-W295 PolarHBondContact N-O 2.98Å; L187-W295 VanDerWaalsContact N-O 3.09Å; W295-K297 HydrophobicContact CE3-CB 4.22Å; W295-K297 HydrophobicContact CH2-CB 4.09Å; W295-K297 HydrophobicContact CH2-CG 4.08Å; W295-K297 VanDerWaalsContact CZ3-CA 3.46Å; W295-K297 HydrophobicContact CZ3-CB 3.68Å; W295-K297 HydrophobicContact CZ3-CG 3.93Å
296R95.3Very high83.1Confident55 Ų5576.6 Ų76.621%0.20834%0.344CS..  trans-89.5113.1177.5-170175.1-67.5-78.8-1.5110.2E119 H152 Q153 L154 A155 L187 P259 A298E119-R296 IonicContact OE1-CZ 2.83Å; E119-R296 VanDerWaalsContact OE1-CZ 3.24Å; E119-R296 IonicContact OE1-NE 3.75Å; E119-R296 PolarHBondContact OE1-NE 2.87Å; E119-R296 IonicContact OE1-NH2 2.73Å; E119-R296 PolarHBondContact OE1-NH2 2.88Å; E119-R296 IonicContact OE2-CZ 3.46Å; E119-R296 IonicContact OE2-NE 3.36Å; E119-R296 PolarHBondContact OE2-NE 2.91Å; H152-R296 VanDerWaalsContact CD2-CZ 3.48Å; H152-R296 PolarHBondContact CD2-NE 3.05Å; H152-R296 VanDerWaalsContact NE2-CZ 3.35Å; H152-R296 PolarHBondContact NE2-NH2 3.39Å; Q153-R296 WeakPolarHBondContact O-CB 3.45Å; L154-R296 HydrophobicContact CD2-CG 3.94Å; A155-R296 PolarHBondContact N-O 2.8Å; L187-R296 HydrophobicContact CD1-CB 4.17Å; L187-R296 HydrophobicContact CD1-CG 4.26Å; P259-R296 HydrophobicContact CG-CB 3.94Å; R296-A298 PolarHBondContact O-N 3.01Å
297K93.3Very high80.8Confident75 Ų7579.9 Ų79.933%0.32636%0.36SS..BIsolated β-bridgetrans-69.2126.9178.5-177.4179.7172.5-1790111.3Y157 H186 W295Y157-K297 HydrophobicContact CE2-CD 4.38Å; Y157-K297 WeakPolarHBondContact OH-CE 3.49Å; Y157-K297 PolarHBondContact OH-NZ 2.87Å; H186-K297 HydrophobicContact CB-CB 3.88Å; W295-K297 HydrophobicContact CE3-CB 4.22Å; W295-K297 HydrophobicContact CH2-CB 4.09Å; W295-K297 HydrophobicContact CH2-CG 4.08Å; W295-K297 VanDerWaalsContact CZ3-CA 3.46Å; W295-K297 HydrophobicContact CZ3-CB 3.68Å; W295-K297 HydrophobicContact CZ3-CG 3.93Å
298A88.1Confident78.4Confident10 Ų1079.7 Ų79.78%0.08336%0.361CS..PPolyproline II helixtrans-58.2131.8171.800000111.8L154 A155 R296 R303L154-A298 HydrophobicContact CB-CB 4.15Å; L154-A298 HydrophobicContact CD1-CB 4.04Å; A155-A298 PolarHBondContact O-N 2.9Å; R296-A298 PolarHBondContact O-N 3.01Å; A298-R303 HydrophobicContact CB-CG 4.13Å
299P81.1Confident75.9Confident50 Ų5082 Ų8233%0.32537%0.373SS..PPolyproline II helixtrans-57.5143.9172.4-23.433000111.7K301 L302 R303P299-K301 VanDerWaalsContact C-N 3.26Å; P299-K301 PolarHBondContact O-N 2.85Å; P299-K301 VanDerWaalsContact O-N 3.17Å; P299-L302 HydrophobicContact CB-CD1 4.29Å; P299-L302 HydrophobicContact CG-CD1 3.95Å; P299-L302 PolarHBondContact O-N 2.86Å; P299-R303 PolarHBondContact O-N 3.36Å
300E74.4Confident73.2Confident144 Ų14489.6 Ų89.667%0.67340%0.399SS*.Hα-helixtrans-56.7-37-175.8-70.1-170.3161.600113.9L302 R303 K304E300-L302 VanDerWaalsContact C-N 3.28Å; E300-L302 PolarHBondContact O-N 2.81Å; E300-R303 PolarHBondContact O-N 3.2Å; E300-K304 PolarHBondContact O-N 3.04Å
301K69.1Low70.6Confident184 Ų18495.2 Ų95.280%0.842%0.419SS*.Hα-helixtrans-60.3-36.8178-65-173.1179.2-175.80112.4P299P299-K301 VanDerWaalsContact C-N 3.26Å; P299-K301 PolarHBondContact O-N 2.85Å; P299-K301 VanDerWaalsContact O-N 3.17Å
302L66.6Low67.8Low47 Ų47101.2 Ų101.225%0.24645%0.447CS..Hα-helixtrans-75.3-34.3177.8-80.5152.9000111.7Y43 L154 P299 E300 K304 R305 N306Y43-L302 HydrophobicContact CE2-CD1 4.2Å; L154-L302 HydrophobicContact CD1-CD1 4.08Å; P299-L302 HydrophobicContact CB-CD1 4.29Å; P299-L302 HydrophobicContact CG-CD1 3.95Å; P299-L302 PolarHBondContact O-N 2.86Å; E300-L302 VanDerWaalsContact C-N 3.28Å; E300-L302 PolarHBondContact O-N 2.81Å; L302-K304 PolarHBondContact O-N 3.02Å; L302-R305 PolarHBondContact O-N 2.78Å; L302-N306 PolarHBondContact O-N 3.38Å
303R61.3Low64.8Low93 Ų93106 Ų10635%0.35148%0.48SS..Hα-helixtrans-60.1-42.3174.7-77.8-175.563.6165-0.6112.7Y157 A298 P299 E300 R305 N306 F307Y157-R303 VanDerWaalsContact CE2-NH1 3.33Å; A298-R303 HydrophobicContact CB-CG 4.13Å; P299-R303 PolarHBondContact O-N 3.36Å; E300-R303 PolarHBondContact O-N 3.2Å; R303-R305 VanDerWaalsContact C-N 3.28Å; R303-R305 PolarHBondContact O-N 3.08Å; R303-N306 PolarHBondContact O-N 3.4Å; R303-F307 WeakPolarHBondContact O-CD2 3.02Å; R303-F307 PolarHBondContact O-N 3.24Å; R303-F307 VanDerWaalsContact O-N 3.14Å
304K55Low62.2Low155 Ų155109.9 Ų109.967%0.67451%0.506SS*.Hα-helixtrans-63.8-33.3-179.4-69.1-173.1179.5-175.40112.7E300 L302 H308E300-K304 PolarHBondContact O-N 3.04Å; L302-K304 PolarHBondContact O-N 3.02Å; K304-H308 PolarHBondContact O-N 3.37Å; K304-H308 PolarHBondContact O-ND1 3.2Å
305R53.6Low59.5Low185 Ų185118.3 Ų118.370%0.69855%0.545SS*.Hα-helixtrans-70.6-44.5178.7-145.3177.2-167.8178.63.2111.8L302 R303 F307 H308 Q309L302-R305 PolarHBondContact O-N 2.78Å; R303-R305 VanDerWaalsContact C-N 3.28Å; R303-R305 PolarHBondContact O-N 3.08Å; R305-F307 VanDerWaalsContact C-N 3.28Å; R305-F307 PolarHBondContact O-N 3.33Å; R305-H308 PolarHBondContact O-N 2.89Å; R305-Q309 PolarHBondContact O-N 2.83Å
306N48.7Very low56.8Low94 Ų94123.6 Ų123.650%0.50358%0.582SS.*Hα-helixtrans-67.8-27.5177.5-67.73.6000112.9L302 R303 R310L302-N306 PolarHBondContact O-N 3.38Å; R303-N306 PolarHBondContact O-N 3.4Å; N306-R310 PolarHBondContact O-N 2.81Å
307F42.8Very low54.3Low121 Ų121132.6 Ų132.653%0.53162%0.616SS.*Hα-helixtrans-70.3-39.9172.2-97.4-96000112.3R303 R305 R310 Y311R303-F307 WeakPolarHBondContact O-CD2 3.02Å; R303-F307 PolarHBondContact O-N 3.24Å; R303-F307 VanDerWaalsContact O-N 3.14Å; R305-F307 VanDerWaalsContact C-N 3.28Å; R305-F307 PolarHBondContact O-N 3.33Å; F307-R310 PolarHBondContact O-N 3.02Å; F307-Y311 HydrophobicContact CD1-CE2 4.39Å; F307-Y311 WeakPolarHBondContact O-CD2 3.3Å
308H42.1Very low51.9Low138 Ų138134.5 Ų134.564%0.63964%0.639SS**Hα-helixtrans-67.9-39.6177.8-80.167.5000112.2K304 R305 R310 Y311 E312K304-H308 PolarHBondContact O-N 3.37Å; K304-H308 PolarHBondContact O-ND1 3.2Å; R305-H308 PolarHBondContact O-N 2.89Å; H308-R310 VanDerWaalsContact C-N 3.29Å; H308-R310 PolarHBondContact O-N 3.09Å; H308-Y311 PolarHBondContact O-N 3.05Å; H308-E312 PolarHBondContact O-N 3.14Å
309Q42.6Very low49.7Very low148 Ų148142.6 Ų142.669%0.69268%0.675SS**Hα-helixtrans-66.8-23.7177.2-87.1179.4-21.600114.6R305R305-Q309 PolarHBondContact O-N 2.83Å
310R39.9Very low47.7Very low214 Ų214146 Ų14681%0.80870%0.697SS**Hα-helixtrans-80.9-16.8177.5-83.1-171.4-177.5-1740.9114.1N306 F307 H308N306-R310 PolarHBondContact O-N 2.81Å; F307-R310 PolarHBondContact O-N 3.02Å; H308-R310 VanDerWaalsContact C-N 3.29Å; H308-R310 PolarHBondContact O-N 3.09Å
311Y42.3Very low46.2Very low194 Ų194145.8 Ų145.876%0.76171%0.705SS**Hα-helixtrans-109.1-8.8-177.2-77.3-83.3000114.2F307 H308 S313F307-Y311 HydrophobicContact CD1-CE2 4.39Å; F307-Y311 WeakPolarHBondContact O-CD2 3.3Å; H308-Y311 PolarHBondContact O-N 3.05Å; Y311-S313 PolarHBondContact O-N 3.37Å
312E38.4Very low45Very low159 Ų159142.4 Ų142.474%0.74371%0.705SS**  trans-96.578.9166.1-75.7-179.4164.200109.8H308H308-E312 PolarHBondContact O-N 3.14Å
313S33.8Very low43.9Very low99 Ų99144.9 Ų144.969%0.69273%0.732SS**PPolyproline II helixtrans-74.4137155.7-60.30000107.7Y311 E315Y311-S313 PolarHBondContact O-N 3.37Å; S313-E315 PolarHBondContact O-N 2.71Å
314P42.6Very low43.2Very low123 Ų123149.5 Ų149.580%0.79976%0.758SS**PPolyproline II helixtrans-66.3126.6174.213.8-8.6000108.7
315E42.9Very low42.8Very low179 Ų179151 Ų15184%0.83677%0.767SS**PPolyproline II helixtrans-51.1136.4171.5-70.5-177.6155.800109.8S313 R317S313-E315 PolarHBondContact O-N 2.71Å; E315-R317 PolarHBondContact O-N 2.7Å; E315-R317 VanDerWaalsContact O-N 3.11Å
316P38.3Very low42.6Very low129 Ų129148 Ų14884%0.83877%0.772SS**PPolyproline II helixtrans-64.2118.4176.124.5-29.7000108.9S318P316-S318 PolarHBondContact O-N 2.85Å; P316-S318 VanDerWaalsContact O-N 3.13Å
317R44.4Very low42.4Very low244 Ų244152.3 Ų152.392%0.92179%0.789SS**PPolyproline II helixtrans-55.2118.1171.3-75.1179.7176.4175.1-1.3109E315 Q319E315-R317 PolarHBondContact O-N 2.7Å; E315-R317 VanDerWaalsContact O-N 3.11Å; R317-Q319 PolarHBondContact O-N 2.82Å
318S42.3Very low42.2Very low115 Ų115159.1 Ų159.180%0.80483%0.825SS**PPolyproline II helixtrans-58.1122.6168.951.70000109.9P316P316-S318 PolarHBondContact O-N 2.85Å; P316-S318 VanDerWaalsContact O-N 3.13Å
319Q40.9Very low42.2Very low179 Ų179160.2 Ų160.284%0.83684%0.835SS**PPolyproline II helixtrans-65.3140.2171-70-178.9-10.800109.9R317 V321R317-Q319 PolarHBondContact O-N 2.82Å; Q319-V321 PolarHBondContact O-N 3.47Å
320P41Very low42.2Very low121 Ų121160.8 Ų160.879%0.78684%0.842SS**PPolyproline II helixtrans-72.4129.5173.528.8-29.6000109.6S322P320-S322 PolarHBondContact O-N 3.02Å
321V42.5Very low42.3Very low141 Ų141157.8 Ų157.886%0.85584%0.844SS**PPolyproline II helixtrans-65.9123.2174.7179.30000108.8Q319 A323Q319-V321 PolarHBondContact O-N 3.47Å; V321-A323 PolarHBondContact O-N 3.14Å
322S43.7Very low42.4Very low113 Ų113155.7 Ų155.779%0.7985%0.849SS**PPolyproline II helixtrans-61.6122171.5-50.40000109.8P320 E324P320-S322 PolarHBondContact O-N 3.02Å; S322-E324 PolarHBondContact O-N 2.7Å
323A43.1Very low42.6Very low99 Ų99155.5 Ų155.582%0.81886%0.856SS**PPolyproline II helixtrans-73.6117.2172.600000109.8V321V321-A323 PolarHBondContact O-N 3.14Å
324E45.7Very low43.2Very low190 Ų190159.3 Ų159.389%0.88887%0.866SS**PPolyproline II helixtrans-65.8130.1163.1-79.5176.9146.800109.5S322S322-E324 PolarHBondContact O-N 2.7Å
325Q47.7Very low43.2Very low185 Ų185161.9 Ų161.986%0.86487%0.871SS**PPolyproline II helixtrans-73.2139.1166.8-73.6176.4-33.600109.3
326P49.5Very low43.3Very low124 Ų124160.5 Ų160.581%0.80587%0.874SS**PPolyproline II helixtrans-85132.7165.631.7-26.7000110.3
327E43.9Very low43.7Very low184 Ų184163.2 Ų163.286%0.8688%0.877SS**PPolyproline II helixtrans-77.6140.8159.9-74.5-17515100110.4
328M39.4Very low43.6Very low263 Ų263155.8 Ų155.8100%1.29687%0.873SS**  trans79.90175-68.3-165.7-73.400118.8

Retrieved 328 of 328 residues in 515 ms (Link to these results)

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