A0A3Q0KEZ4_SCHMA Loading...

PUR-alpha-like protein

AlphaFold DB (Q9NGC4), UniProt , Accession A0A3Q0KEZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 267 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
1M45.7Very low39.5Very low234 Ų234157 Ų157100%1.15385%0.848SS**  0104.30-68.8-69178.900106.4
2P41.8Very low38.5Very low128 Ų128158.4 Ų158.483%0.83186%0.855SS**  trans-83.4148.2-167.232.6-30.8000112.4
3E40.6Very low38.2Very low188 Ų188151.8 Ų151.888%0.87985%0.847SS**  trans-65.6129.3176.5-65.4169.2139.900111.3
4T47.8Very low38.3Very low141 Ų141154.4 Ų154.487%0.86585%0.849SS**  trans-97.2106169.5-50.60000109A6T4-A6 PolarHBondContact O-N 3.23Å
5V42.8Very low38.8Very low122 Ų122157.1 Ų157.174%0.73985%0.853SS**  trans-64.6117.7173.9176.40000109.8V7V5-V7 PolarHBondContact O-N 3.15Å
6A44.6Very low40.4Very low93 Ų93154.2 Ų154.277%0.76983%0.832SS**  trans-71.7115.9171.900000110.4T4 K8T4-A6 PolarHBondContact O-N 3.23Å; A6-K8 PolarHBondContact O-N 3.13Å
7V41.7Very low42.6Very low132 Ų132150.6 Ų150.680%0.881%0.809SS**  trans-66.3113.1174.1178.60000109.4V5 S9V5-V7 PolarHBondContact O-N 3.15Å; V7-S9 PolarHBondContact O-N 3.35Å
8K35.5Very low45Very low189 Ų189149.2 Ų149.282%0.82280%0.796SS**  trans-64.6110.8169.5-76.1179176.2177.60109.6A6A6-K8 PolarHBondContact O-N 3.13Å
9S33.3Very low47.5Very low108 Ų108146.7 Ų146.776%0.75578%0.78SS**  trans-76.8122.5164.8-81.20000110V7 K11V7-S9 PolarHBondContact O-N 3.35Å; S9-K11 PolarHBondContact O-N 3.4Å
10F30.2Very low49.6Very low203 Ų203141.4 Ų141.489%0.8975%0.751SS**  trans-69.9101.7169.7-71.6-96000109.9
11K30.4Very low51.7Low189 Ų189135.6 Ų135.682%0.82272%0.723SS**  trans-131.371.6163.8-79.9-168.7177.7-179.60108.6S9S9-K11 PolarHBondContact O-N 3.4Å
12D28.1Very low54.1Low174 Ų174127.3 Ų127.393%0.9369%0.688SS**  trans-114.3112.7178.7-140.1-5.3000109.1
13G34.5Very low56.7Low73 Ų73124.3 Ų124.375%0.75366%0.662SS**SBendtrans131.3-12.8169.600000118.9
14Q39.1Very low59.3Low188 Ų188118.6 Ų118.688%0.87965%0.647SS**  trans-102.70.7-177.3-81.3-173-14.700115.5E16Q14-E16 PolarHBondContact O-N 3.49Å
15Q46.2Very low61.6Low194 Ų194112.8 Ų112.891%0.90761%0.61SS**THydrogen-bonded Turntrans-84.86.2-171.5-95.3-178.3-20.200116.3
16E63.5Low64.1Low111 Ų111116.2 Ų116.252%0.51961%0.61SS.*THydrogen-bonded Turntrans-105.3-4179.1-72.4-165.2161.500115.3Q14 N39 K40Q14-E16 PolarHBondContact O-N 3.49Å; E16-N39 WeakPolarHBondContact O-CA 3.26Å; E16-N39 WeakPolarHBondContact O-CB 3.45Å; E16-K40 VanDerWaalsContact OE1-CE 3.29Å; E16-K40 WeakPolarHBondContact OE1-CE 3.45Å; E16-K40 IonicContact OE1-NZ 3.55Å; E16-K40 PolarHBondContact OE1-NZ 3.48Å
17E78.8Confident66.4Low93 Ų93112 Ų11244%0.43558%0.575SS.*  trans-112.8112.2-180-64.2-175.7178.900111.1Q38 N39 F44E17-Q38 CarbonylContact C-O 3.48Å; E17-Q38 WeakPolarHBondContact CA-O 3.24Å; E17-N39 HydrophobicContact CG-CB 4.33Å; E17-F44 HydrophobicContact CG-CZ 4.3Å
18Q85.7Confident68.7Low126 Ų126111.5 Ų111.559%0.58956%0.564SS**EExtended strand (participates in β ladder)trans-88.3129.1170.1-174.4176.221.200109.6L20 K37 Q38Q18-L20 HydrophobicContact CG-CD2 4.17Å; Q18-K37 CarbonylContact O-C 3.56Å; Q18-K37 WeakPolarHBondContact O-CA 3.11Å; Q18-Q38 PolarHBondContact N-O 2.84Å; Q18-Q38 PolarHBondContact O-N 3.32Å
19E91.6Very high71.2Confident102 Ų102106.6 Ų106.648%0.47755%0.546SS..EExtended strand (participates in β ladder)trans-83.7126.1170.1-169.9168.9121.900109.8K37E19-K37 HydrophobicContact CB-CG 4.48Å; E19-K37 HydrophobicContact CG-CG 4.44Å; E19-K37 IonicContact OE2-NZ 3.35Å; E19-K37 PolarHBondContact OE2-NZ 3.42Å
20L91.1Very high74Confident39 Ų39103.6 Ų103.620%0.20452%0.52CS..EExtended strand (participates in β ladder)trans-99.4-42.8-177.1-61.5-175.4000111.7Q18 I36 Q38 R43 Y156Q18-L20 HydrophobicContact CG-CD2 4.17Å; L20-I36 HydrophobicContact CB-CB 4.36Å; L20-I36 HydrophobicContact CB-CG2 4.1Å; L20-I36 HydrophobicContact CD1-CG2 4.06Å; L20-I36 PolarHBondContact N-O 3.2Å; L20-Q38 HydrophobicContact CD1-CB 3.88Å; L20-Q38 HydrophobicContact CD2-CB 4.34Å; L20-Q38 HydrophobicContact CG-CB 4.09Å; L20-R43 HydrophobicContact CD1-CG 3.97Å; L20-Y156 HydrophobicContact CB-CD1 4.01Å; L20-Y156 HydrophobicContact CB-CE1 3.55Å; L20-Y156 HydrophobicContact CD1-CD1 3.84Å; L20-Y156 HydrophobicContact CD1-CE1 4.11Å; L20-Y156 HydrophobicContact CG-CE1 4.37Å; L20-Y156 PolarHBondContact O-OH 3.03Å
21A93.7Very high77.1Confident20 Ų20100 Ų10017%0.16550%0.5CS..EExtended strand (participates in β ladder)trans-151.6155.2175.300000110.7D35 I36 L152 Y156A21-D35 CarbonylContact O-C 3.56Å; A21-D35 WeakPolarHBondContact O-CA 3.43Å; A21-I36 HydrophobicContact CB-CB 4.35Å; A21-I36 HydrophobicContact CB-CG1 4.42Å; A21-I36 PolarHBondContact N-O 3.01Å; A21-I36 PolarHBondContact O-N 3.31Å; A21-L152 HydrophobicContact CB-CD2 3.68Å; A21-Y156 HydrophobicContact CB-CD2 4.38Å; A21-Y156 HydrophobicContact CB-CE2 3.44Å; A21-Y156 VanDerWaalsContact CB-CE2 3.44Å
22S94.8Very high80.3Confident60 Ų6091 Ų9142%0.4246%0.461SS..EExtended strand (participates in β ladder)trans-140.3143.9172.5-173.70000110.7L34 D35S22-L34 CarbonylContact C-O 3.54Å; S22-L34 VanDerWaalsContact CA-O 3.31Å; S22-L34 WeakPolarHBondContact CA-O 3.49Å; S22-D35 WeakPolarHBondContact CB-OD1 3.29Å; S22-D35 PolarHBondContact OG-OD1 3.34Å
23K95.9Very high83.6Confident66 Ų6686.6 Ų86.629%0.28743%0.432SS..EExtended strand (participates in β ladder)trans-134.4127.9173.1-167.3163-179.1179.30109.8L34 A148 D151 L152K23-L34 PolarHBondContact N-O 2.64Å; K23-L34 PolarHBondContact O-N 3.48Å; K23-A148 HydrophobicContact CD-CB 3.79Å; K23-A148 HydrophobicContact CG-CB 4.39Å; K23-D151 IonicContact NZ-OD2 2.69Å; K23-D151 PolarHBondContact NZ-OD2 3.19Å; K23-L152 HydrophobicContact CB-CD1 3.89Å; K23-L152 HydrophobicContact CB-CD2 4.21Å; K23-L152 HydrophobicContact CB-CG 4.18Å
24A96.3Very high86.6Confident68 Ų6883.1 Ų83.156%0.56240%0.396SS*.EExtended strand (participates in β ladder)trans-99.1133.7176.700000110.6F32 Y33A24-F32 CarbonylContact C-O 3.51Å; A24-F32 WeakPolarHBondContact CA-O 3.36Å; A24-Y33 HydrophobicContact CB-CD1 4.06Å; A24-Y33 HydrophobicContact CB-CE1 4.03Å
25L95.7Very high89.2Confident18 Ų1874.8 Ų74.89%0.09436%0.358CS..EExtended strand (participates in β ladder)trans-118.7139.3172.5-57.8177.3000109.5I27 R31 F32 L34 L145 A148L25-I27 HydrophobicContact CB-CD1 4.41Å; L25-I27 HydrophobicContact CB-CG1 4.47Å; L25-R31 CarbonylContact O-C 3.5Å; L25-R31 WeakPolarHBondContact O-CA 3.5Å; L25-F32 HydrophobicContact CB-CB 4.29Å; L25-F32 PolarHBondContact N-O 3.07Å; L25-F32 PolarHBondContact O-N 3.3Å; L25-L34 HydrophobicContact CD1-CD1 3.82Å; L25-L34 HydrophobicContact CG-CD1 4.13Å; L25-L145 HydrophobicContact CD1-CB 4.42Å; L25-L145 HydrophobicContact CD1-CD1 4.22Å; L25-A148 HydrophobicContact CD1-CB 3.79Å; L25-A148 HydrophobicContact CD2-CB 4.05Å; L25-A148 HydrophobicContact CG-CB 4.23Å
26R94.8Very high91.5Very high194 Ų19465.6 Ų65.673%0.73232%0.315SS*.EExtended strand (participates in β ladder)trans-118.3108.2171.7-177.8178.4176.4161-2108.5R31R26-R31 HydrophobicContact CG-CG 4.49Å
27I93.3Very high92.9Very high5 Ų561.3 Ų61.33%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-117.8112.8-177.6-56.7163.4000107.3L25 N29 K30 F32 I137 P138L25-I27 HydrophobicContact CB-CD1 4.41Å; L25-I27 HydrophobicContact CB-CG1 4.47Å; I27-N29 PolarHBondContact O-N 3.36Å; I27-K30 PolarHBondContact N-O 3.49Å; I27-K30 PolarHBondContact O-N 3.07Å; I27-F32 HydrophobicContact CB-CD2 4.44Å; I27-F32 HydrophobicContact CB-CE2 4.13Å; I27-F32 HydrophobicContact CD1-CD2 3.93Å; I27-F32 HydrophobicContact CD1-CE2 4.05Å; I27-F32 HydrophobicContact CG1-CD2 4.38Å; I27-F32 HydrophobicContact CG1-CE2 4.48Å; I27-I137 HydrophobicContact CD1-CG2 3.79Å; I27-P138 HydrophobicContact CG2-CB 3.85Å; I27-P138 HydrophobicContact CG2-CG 3.79Å
28Q89.5Confident93.2Very high122 Ų12259.5 Ų59.557%0.5729%0.286SS*.THydrogen-bonded Turntrans53.7-119.7-169-58.8-179.9-3000112P138Q28-P138 HydrophobicContact CG-CB 4.35Å; Q28-P138 HydrophobicContact CG-CG 4.22Å; Q28-P138 VanDerWaalsContact OE1-CG 3.31Å
29N88.9Confident92.9Very high86 Ų8655.6 Ų55.646%0.4627%0.269SS..THydrogen-bonded Turntrans-93.6-4178.461.1-5.4000113.2I27 N52I27-N29 PolarHBondContact O-N 3.36Å; N29-N52 PolarHBondContact ND2-ND2 3.43Å; N29-N52 PolarHBondContact O-OD1 2.9Å
30K91.7Very high91.9Very high45 Ų4557.5 Ų57.520%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-97.3148-179.2-63-173.6178.4-164.40111.7I27 F32 E49 A136I27-K30 PolarHBondContact N-O 3.49Å; I27-K30 PolarHBondContact O-N 3.07Å; K30-F32 HydrophobicContact CB-CD2 4.46Å; K30-F32 HydrophobicContact CB-CE2 3.63Å; K30-F32 HydrophobicContact CB-CZ 3.94Å; K30-F32 HydrophobicContact CD-CE2 4.39Å; K30-F32 HydrophobicContact CD-CZ 3.91Å; K30-E49 HydrophobicContact CD-CG 4.45Å; K30-E49 WeakPolarHBondContact CD-OE1 3.27Å; K30-E49 VanDerWaalsContact CE-OE1 3.28Å; K30-E49 WeakPolarHBondContact CE-OE1 3.36Å; K30-E49 IonicContact NZ-OE1 3.49Å; K30-E49 PolarHBondContact NZ-OE1 2.96Å; K30-A136 PolarHBondContact NZ-O 2.88Å
31R95.4Very high90.9Very high127 Ų12763.7 Ų63.748%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-113135.5170.3-69.4179.8-71.9-177.8-3.3109.5L25 R26 Y33 V50L25-R31 CarbonylContact O-C 3.5Å; L25-R31 WeakPolarHBondContact O-CA 3.5Å; R26-R31 HydrophobicContact CG-CG 4.49Å; R31-Y33 HydrophobicContact CB-CE2 4.19Å; R31-V50 HydrophobicContact CB-CB 4.41Å; R31-V50 PolarHBondContact N-O 2.96Å; R31-V50 PolarHBondContact O-N 3.25Å
32F97.3Very high90.2Very high1 Ų163.3 Ų63.30%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-119.4136.9174.8-58.5-91.9000109.2A24 L25 I27 K30 L34 T48 E49 I137A24-F32 CarbonylContact C-O 3.51Å; A24-F32 WeakPolarHBondContact CA-O 3.36Å; L25-F32 HydrophobicContact CB-CB 4.29Å; L25-F32 PolarHBondContact N-O 3.07Å; L25-F32 PolarHBondContact O-N 3.3Å; I27-F32 HydrophobicContact CB-CD2 4.44Å; I27-F32 HydrophobicContact CB-CE2 4.13Å; I27-F32 HydrophobicContact CD1-CD2 3.93Å; I27-F32 HydrophobicContact CD1-CE2 4.05Å; I27-F32 HydrophobicContact CG1-CD2 4.38Å; I27-F32 HydrophobicContact CG1-CE2 4.48Å; K30-F32 HydrophobicContact CB-CD2 4.46Å; K30-F32 HydrophobicContact CB-CE2 3.63Å; K30-F32 HydrophobicContact CB-CZ 3.94Å; K30-F32 HydrophobicContact CD-CE2 4.39Å; K30-F32 HydrophobicContact CD-CZ 3.91Å; F32-L34 HydrophobicContact CB-CD1 4.25Å; F32-T48 CarbonylContact C-O 3.57Å; F32-T48 VanDerWaalsContact CA-O 3.23Å; F32-T48 WeakPolarHBondContact CA-O 3.44Å; F32-E49 HydrophobicContact CD1-CB 3.92Å; F32-E49 HydrophobicContact CD1-CG 4.24Å; F32-E49 HydrophobicContact CE1-CB 3.7Å; F32-E49 HydrophobicContact CE1-CG 3.65Å; F32-E49 HydrophobicContact CZ-CG 4.16Å; F32-I137 HydrophobicContact CD1-CG1 4.3Å; F32-I137 HydrophobicContact CE1-CG1 3.69Å; F32-I137 HydrophobicContact CZ-CB 4.31Å; F32-I137 HydrophobicContact CZ-CG1 3.88Å; F32-I137 HydrophobicContact CZ-CG2 4.47Å
33Y97.2Very high89.9Confident80 Ų8062.2 Ų62.231%0.31428%0.281SS..EExtended strand (participates in β ladder)trans-116.8123173.1-61.2-92000107.9A24 R31 I47 T48 V50A24-Y33 HydrophobicContact CB-CD1 4.06Å; A24-Y33 HydrophobicContact CB-CE1 4.03Å; R31-Y33 HydrophobicContact CB-CE2 4.19Å; Y33-I47 CarbonylContact O-C 3.46Å; Y33-I47 WeakPolarHBondContact O-CA 3.5Å; Y33-T48 PolarHBondContact N-O 3.46Å; Y33-T48 PolarHBondContact O-N 2.89Å; Y33-V50 HydrophobicContact CD2-CG2 3.87Å; Y33-V50 HydrophobicContact CE2-CB 4.48Å; Y33-V50 HydrophobicContact CE2-CG2 3.67Å
34L97.3Very high89.7Confident0 Ų060 Ų600%027%0.272CS..EExtended strand (participates in β ladder)trans-108.8114.1175.8-7277.2000107.2S22 K23 L25 F32 K46 I47 L145 A148 L149 L152S22-L34 CarbonylContact C-O 3.54Å; S22-L34 VanDerWaalsContact CA-O 3.31Å; S22-L34 WeakPolarHBondContact CA-O 3.49Å; K23-L34 PolarHBondContact N-O 2.64Å; K23-L34 PolarHBondContact O-N 3.48Å; L25-L34 HydrophobicContact CD1-CD1 3.82Å; L25-L34 HydrophobicContact CG-CD1 4.13Å; F32-L34 HydrophobicContact CB-CD1 4.25Å; L34-K46 CarbonylContact C-O 3.57Å; L34-K46 WeakPolarHBondContact CA-O 3.23Å; L34-I47 HydrophobicContact CD1-CG2 4.47Å; L34-I47 HydrophobicContact CG-CG1 4.3Å; L34-I47 HydrophobicContact CG-CG2 4.36Å; L34-L145 HydrophobicContact CD1-CD1 4.09Å; L34-L145 HydrophobicContact CD2-CD1 3.88Å; L34-L145 HydrophobicContact CG-CD1 4.38Å; L34-A148 HydrophobicContact CD2-CB 3.87Å; L34-L149 HydrophobicContact CD2-CD2 3.79Å; L34-L149 HydrophobicContact CD2-CG 3.84Å; L34-L152 HydrophobicContact CB-CD1 3.45Å; L34-L152 VanDerWaalsContact CB-CD1 3.45Å; L34-L152 HydrophobicContact CD2-CD1 4.28Å; L34-L152 WeakPolarHBondContact O-CD1 3.48Å
35D95.2Very high89.6Confident14 Ų1456.8 Ų56.88%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-116.6131.4-177.9-44.5-50.2000109.6A21 S22 K37 V45 K46A21-D35 CarbonylContact O-C 3.56Å; A21-D35 WeakPolarHBondContact O-CA 3.43Å; S22-D35 WeakPolarHBondContact CB-OD1 3.29Å; S22-D35 PolarHBondContact OG-OD1 3.34Å; D35-K37 HydrophobicContact CB-CD 4.42Å; D35-K37 HydrophobicContact CB-CG 4.13Å; D35-V45 WeakPolarHBondContact O-CA 3.3Å; D35-K46 HydrophobicContact CB-CB 4.39Å; D35-K46 PolarHBondContact N-O 2.79Å; D35-K46 PolarHBondContact O-N 2.88Å
36I94.2Very high89.6Confident0 Ų057.8 Ų57.80%025%0.248CC..EExtended strand (participates in β ladder)trans-88.9122.7161.2-55.3-60.1000106.8L20 A21 V45 M63 L152 Y156L20-I36 HydrophobicContact CB-CB 4.36Å; L20-I36 HydrophobicContact CB-CG2 4.1Å; L20-I36 HydrophobicContact CD1-CG2 4.06Å; L20-I36 PolarHBondContact N-O 3.2Å; A21-I36 HydrophobicContact CB-CB 4.35Å; A21-I36 HydrophobicContact CB-CG1 4.42Å; A21-I36 PolarHBondContact N-O 3.01Å; A21-I36 PolarHBondContact O-N 3.31Å; I36-V45 HydrophobicContact CD1-CB 4.23Å; I36-V45 HydrophobicContact CD1-CG1 4.17Å; I36-V45 HydrophobicContact CD1-CG2 3.52Å; I36-M63 HydrophobicContact CD1-SD 4.2Å; I36-L152 HydrophobicContact CD1-CB 4.01Å; I36-L152 HydrophobicContact CG1-CB 3.89Å; I36-L152 HydrophobicContact CG1-CD2 4.23Å; I36-L152 HydrophobicContact CG1-CG 4.48Å; I36-Y156 HydrophobicContact CG1-CD2 4.28Å; I36-Y156 HydrophobicContact CG2-CD1 4.4Å; I36-Y156 HydrophobicContact CG2-CD2 4.4Å; I36-Y156 HydrophobicContact CG2-CG 4.05Å
37K91.7Very high89.7Confident22 Ų2248.5 Ų48.510%0.09621%0.213CC..EExtended strand (participates in β ladder)trans-126.3157.8178.5-62.9-177.3-179.3-90.70109.9Q18 E19 D35 R43 F44 K46Q18-K37 CarbonylContact O-C 3.56Å; Q18-K37 WeakPolarHBondContact O-CA 3.11Å; E19-K37 HydrophobicContact CB-CG 4.48Å; E19-K37 HydrophobicContact CG-CG 4.44Å; E19-K37 IonicContact OE2-NZ 3.35Å; E19-K37 PolarHBondContact OE2-NZ 3.42Å; D35-K37 HydrophobicContact CB-CD 4.42Å; D35-K37 HydrophobicContact CB-CG 4.13Å; K37-R43 CarbonylContact O-C 3.6Å; K37-R43 WeakPolarHBondContact O-CA 3.46Å; K37-F44 HydrophobicContact CB-CD1 4.29Å; K37-F44 HydrophobicContact CB-CD2 4.45Å; K37-F44 HydrophobicContact CB-CE1 3.69Å; K37-F44 HydrophobicContact CB-CE2 3.88Å; K37-F44 HydrophobicContact CB-CZ 3.47Å; K37-F44 VanDerWaalsContact CB-CZ 3.47Å; K37-F44 HydrophobicContact CD-CE2 4.24Å; K37-F44 HydrophobicContact CD-CZ 4.1Å; K37-F44 HydrophobicContact CG-CZ 4.36Å; K37-F44 PolarHBondContact N-O 2.96Å; K37-F44 WeakPolarHBondContact O-CD1 3.32Å; K37-F44 PolarHBondContact O-N 2.7Å; K37-K46 HydrophobicContact CD-CD 4.13Å
38Q85.5Confident89.8Confident54 Ų5448.8 Ų48.825%0.25222%0.215SC..EExtended strand (participates in β ladder)trans-126.9136176.3-175170.72.600109.1E17 Q18 L20 R43E17-Q38 CarbonylContact C-O 3.48Å; E17-Q38 WeakPolarHBondContact CA-O 3.24Å; Q18-Q38 PolarHBondContact N-O 2.84Å; Q18-Q38 PolarHBondContact O-N 3.32Å; L20-Q38 HydrophobicContact CD1-CB 3.88Å; L20-Q38 HydrophobicContact CD2-CB 4.34Å; L20-Q38 HydrophobicContact CG-CB 4.09Å; Q38-R43 HydrophobicContact CB-CG 4.27Å; Q38-R43 HydrophobicContact CG-CG 4.2Å
39N78.7Confident90.2Very high44 Ų4444 Ų4424%0.23519%0.193CC..EExtended strand (participates in β ladder)trans-131.9-173.4167.764.826.6000109.2E16 E17 R41 G42 F44E16-N39 WeakPolarHBondContact O-CA 3.26Å; E16-N39 WeakPolarHBondContact O-CB 3.45Å; E17-N39 HydrophobicContact CG-CB 4.33Å; N39-R41 PolarHBondContact O-N 3.37Å; N39-R41 WeakPolarHBondContact OD1-CA 3.4Å; N39-R41 WeakPolarHBondContact OD1-CB 3.41Å; N39-R41 PolarHBondContact OD1-N 3Å; N39-G42 PolarHBondContact N-O 3.44Å; N39-G42 PolarHBondContact O-N 2.87Å; N39-G42 PolarHBondContact OD1-O 3.3Å; N39-F44 HydrophobicContact CB-CE1 4.22Å; N39-F44 WeakPolarHBondContact ND2-CE1 3.42Å
40K72.4Confident90.5Very high142 Ų14240.4 Ų40.462%0.61717%0.174SC*.THydrogen-bonded Turntrans-59.1-16.3179.3-65.5178.3176.7171.60114.7E16E16-K40 VanDerWaalsContact OE1-CE 3.29Å; E16-K40 WeakPolarHBondContact OE1-CE 3.45Å; E16-K40 IonicContact OE1-NZ 3.55Å; E16-K40 PolarHBondContact OE1-NZ 3.48Å
41R70.1Confident90.2Very high170 Ų17039.2 Ų39.264%0.64217%0.174SC*.THydrogen-bonded Turntrans-93.4-8.6178.6-59.8-175-179.8-165.9-1.1113.6N39N39-R41 PolarHBondContact O-N 3.37Å; N39-R41 WeakPolarHBondContact OD1-CA 3.4Å; N39-R41 WeakPolarHBondContact OD1-CB 3.41Å; N39-R41 PolarHBondContact OD1-N 3Å
42G78.8Confident89.3Confident12 Ų1238.9 Ų38.912%0.12418%0.182CC..EExtended strand (participates in β ladder)trans124.3-168.3-175.200000113.1N39 D163N39-G42 PolarHBondContact N-O 3.44Å; N39-G42 PolarHBondContact O-N 2.87Å; N39-G42 PolarHBondContact OD1-O 3.3Å; G42-D163 WeakPolarHBondContact CA-OD1 3.41Å
43R87.7Confident88.5Confident37 Ų3742.6 Ų42.614%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-86.8144.9179.5-66.3177.6-178.51721.3110.8L20 K37 Q38 M63 Y156 D159L20-R43 HydrophobicContact CD1-CG 3.97Å; K37-R43 CarbonylContact O-C 3.6Å; K37-R43 WeakPolarHBondContact O-CA 3.46Å; Q38-R43 HydrophobicContact CB-CG 4.27Å; Q38-R43 HydrophobicContact CG-CG 4.2Å; R43-M63 HydrophobicContact CB-CG 3.84Å; R43-M63 HydrophobicContact CB-SD 4.33Å; R43-Y156 PolarHBondContact NH1-O 2.75Å; R43-D159 IonicContact CZ-OD2 2.7Å; R43-D159 VanDerWaalsContact CZ-OD2 3.22Å; R43-D159 IonicContact NH1-OD2 2.59Å; R43-D159 PolarHBondContact NH1-OD2 3.19Å; R43-D159 IonicContact NH2-OD2 2.82Å; R43-D159 PolarHBondContact NH2-OD2 3.05Å
44F91.2Very high87.8Confident20 Ų2041 Ų419%0.08823%0.229CC..EExtended strand (participates in β ladder)trans-147.3155.1177.568-86.2000111.5E17 K37 N39 K46 L60 M61E17-F44 HydrophobicContact CG-CZ 4.3Å; K37-F44 HydrophobicContact CB-CD1 4.29Å; K37-F44 HydrophobicContact CB-CD2 4.45Å; K37-F44 HydrophobicContact CB-CE1 3.69Å; K37-F44 HydrophobicContact CB-CE2 3.88Å; K37-F44 HydrophobicContact CB-CZ 3.47Å; K37-F44 VanDerWaalsContact CB-CZ 3.47Å; K37-F44 HydrophobicContact CD-CE2 4.24Å; K37-F44 HydrophobicContact CD-CZ 4.1Å; K37-F44 HydrophobicContact CG-CZ 4.36Å; K37-F44 PolarHBondContact N-O 2.96Å; K37-F44 WeakPolarHBondContact O-CD1 3.32Å; K37-F44 PolarHBondContact O-N 2.7Å; N39-F44 HydrophobicContact CB-CE1 4.22Å; N39-F44 WeakPolarHBondContact ND2-CE1 3.42Å; F44-K46 HydrophobicContact CE2-CB 4.38Å; F44-L60 HydrophobicContact CD2-CD2 4.4Å; F44-L60 HydrophobicContact CE2-CD2 4.01Å; F44-M61 CarbonylContact C-O 3.54Å; F44-M61 WeakPolarHBondContact CA-O 3.33Å; F44-M61 WeakPolarHBondContact CB-O 3.24Å
45V94.4Very high87.4Confident0 Ų048.3 Ų48.30%026%0.263CS..EExtended strand (participates in β ladder)trans-100.1133176.3-170.60000109.3D35 I36 I47 L60 M61 M63 A66 L149D35-V45 WeakPolarHBondContact O-CA 3.3Å; I36-V45 HydrophobicContact CD1-CB 4.23Å; I36-V45 HydrophobicContact CD1-CG1 4.17Å; I36-V45 HydrophobicContact CD1-CG2 3.52Å; V45-I47 HydrophobicContact CG1-CG1 4.4Å; V45-L60 WeakPolarHBondContact O-CA 3.47Å; V45-M61 HydrophobicContact CB-CG 3.82Å; V45-M61 HydrophobicContact CG2-CG 4.5Å; V45-M61 PolarHBondContact N-O 2.92Å; V45-M61 PolarHBondContact O-N 3.05Å; V45-M63 HydrophobicContact CG2-SD 3.73Å; V45-A66 HydrophobicContact CB-CB 4.12Å; V45-A66 HydrophobicContact CG2-CB 3.44Å; V45-A66 VanDerWaalsContact CG2-CB 3.44Å; V45-L149 HydrophobicContact CG1-CD2 3.99Å
46K95.6Very high87.3Confident38 Ų3853.2 Ų53.217%0.16528%0.284CS..EExtended strand (participates in β ladder)trans-119.4121.5175.3-178-177.1-174.3171.50109.3L34 D35 K37 F44 I59 L60L34-K46 CarbonylContact C-O 3.57Å; L34-K46 WeakPolarHBondContact CA-O 3.23Å; D35-K46 HydrophobicContact CB-CB 4.39Å; D35-K46 PolarHBondContact N-O 2.79Å; D35-K46 PolarHBondContact O-N 2.88Å; K37-K46 HydrophobicContact CD-CD 4.13Å; F44-K46 HydrophobicContact CE2-CB 4.38Å; K46-I59 WeakPolarHBondContact CA-O 3.38Å; K46-L60 HydrophobicContact CG-CG 4.46Å
47I97.4Very high87.3Confident0 Ų055.1 Ų55.10%030%0.297CS..EExtended strand (participates in β ladder)trans-108.2120173.9-49.5-179.2000108.3Y33 L34 V45 R58 I59 M61 M69 I135 L149Y33-I47 CarbonylContact O-C 3.46Å; Y33-I47 WeakPolarHBondContact O-CA 3.5Å; L34-I47 HydrophobicContact CD1-CG2 4.47Å; L34-I47 HydrophobicContact CG-CG1 4.3Å; L34-I47 HydrophobicContact CG-CG2 4.36Å; V45-I47 HydrophobicContact CG1-CG1 4.4Å; I47-R58 CarbonylContact O-C 3.54Å; I47-R58 VanDerWaalsContact O-CA 3.29Å; I47-R58 WeakPolarHBondContact O-CA 3.45Å; I47-I59 PolarHBondContact N-O 3.4Å; I47-I59 PolarHBondContact O-N 2.93Å; I47-M61 HydrophobicContact CD1-CE 3.65Å; I47-M61 HydrophobicContact CG1-CE 4.07Å; I47-M69 HydrophobicContact CD1-SD 4.4Å; I47-I135 HydrophobicContact CB-CD1 4.04Å; I47-I135 HydrophobicContact CG2-CD1 3.45Å; I47-I135 VanDerWaalsContact CG2-CD1 3.45Å; I47-L149 HydrophobicContact CD1-CD2 4.26Å
48T96.8Very high87.4Confident10 Ų1059.1 Ų59.16%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-112.3118.6178.1-56.50000110.1F32 Y33 V50 K56 S57 R58F32-T48 CarbonylContact C-O 3.57Å; F32-T48 VanDerWaalsContact CA-O 3.23Å; F32-T48 WeakPolarHBondContact CA-O 3.44Å; Y33-T48 PolarHBondContact N-O 3.46Å; Y33-T48 PolarHBondContact O-N 2.89Å; T48-V50 HydrophobicContact CG2-CG2 4.13Å; T48-K56 HydrophobicContact CG2-CB 4.27Å; T48-S57 CarbonylContact C-O 3.58Å; T48-S57 VanDerWaalsContact CA-O 3.31Å; T48-S57 WeakPolarHBondContact CA-O 3.32Å; T48-R58 HydrophobicContact CG2-CG 3.91Å
49E96.7Very high87.9Confident22 Ų2256.6 Ų56.610%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-85.9132.6164.9178.2-177.6167.400109.5K30 F32 K56 S57 I135 A136K30-E49 HydrophobicContact CD-CG 4.45Å; K30-E49 WeakPolarHBondContact CD-OE1 3.27Å; K30-E49 VanDerWaalsContact CE-OE1 3.28Å; K30-E49 WeakPolarHBondContact CE-OE1 3.36Å; K30-E49 IonicContact NZ-OE1 3.49Å; K30-E49 PolarHBondContact NZ-OE1 2.96Å; F32-E49 HydrophobicContact CD1-CB 3.92Å; F32-E49 HydrophobicContact CD1-CG 4.24Å; F32-E49 HydrophobicContact CE1-CB 3.7Å; F32-E49 HydrophobicContact CE1-CG 3.65Å; F32-E49 HydrophobicContact CZ-CG 4.16Å; E49-K56 CarbonylContact O-C 3.59Å; E49-K56 VanDerWaalsContact O-CA 3.28Å; E49-K56 WeakPolarHBondContact O-CA 3.45Å; E49-S57 PolarHBondContact N-O 3.08Å; E49-S57 PolarHBondContact O-N 3.4Å; E49-I135 HydrophobicContact CB-CB 3.91Å; E49-I135 HydrophobicContact CB-CG2 3.58Å; E49-I135 WeakPolarHBondContact OE2-CA 3.46Å; E49-I135 VanDerWaalsContact OE2-CB 3.25Å; E49-I135 WeakPolarHBondContact OE2-CB 3.44Å; E49-A136 PolarHBondContact OE2-N 3.4Å
50V94.8Very high88.6Confident10 Ų1057.1 Ų57.16%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-117110.1170.3-173.90000108.5R31 Y33 T48 K56R31-V50 HydrophobicContact CB-CB 4.41Å; R31-V50 PolarHBondContact N-O 2.96Å; R31-V50 PolarHBondContact O-N 3.25Å; Y33-V50 HydrophobicContact CD2-CG2 3.87Å; Y33-V50 HydrophobicContact CE2-CB 4.48Å; Y33-V50 HydrophobicContact CE2-CG2 3.67Å; T48-V50 HydrophobicContact CG2-CG2 4.13Å; V50-K56 HydrophobicContact CG2-CD 4.45Å; V50-K56 HydrophobicContact CG2-CG 4.16Å
51G85Confident89.6Confident20 Ų2050.4 Ų50.421%0.20627%0.273CS..  trans-78.9173.5176.100000113G53 G54 Q55G51-G53 PolarHBondContact O-N 3.33Å; G51-G54 PolarHBondContact O-N 2.93Å; G51-G54 VanDerWaalsContact O-N 3.08Å; G51-Q55 PolarHBondContact N-O 3.49Å
52N77.6Confident90.6Very high120 Ų12043.6 Ų43.664%0.64225%0.252SS*.THydrogen-bonded Turntrans-62.7-26.5-175.6-59.62000113.4N29 G54N29-N52 PolarHBondContact ND2-ND2 3.43Å; N29-N52 PolarHBondContact O-OD1 2.9Å; N52-G54 VanDerWaalsContact C-N 3.34Å
53G80.2Confident91.1Very high80 Ų8043.4 Ų43.483%0.82525%0.248SC*.THydrogen-bonded Turntrans-89.312.3177.400000114.8G51 Q55G51-G53 PolarHBondContact O-N 3.33Å; G53-Q55 PolarHBondContact O-N 3.06Å
54G83Confident91.2Very high46 Ų4643.8 Ų43.847%0.47426%0.255SS..SBendtrans75.9-4.1-177.400000114.8G51 N52 K56G51-G54 PolarHBondContact O-N 2.93Å; G51-G54 VanDerWaalsContact O-N 3.08Å; N52-G54 VanDerWaalsContact C-N 3.34Å; G54-K56 WeakPolarHBondContact O-CG 3.14Å; G54-K56 PolarHBondContact O-N 3.49Å
55Q88.6Confident91.3Very high154 Ų15442.8 Ų42.872%0.7225%0.25SS*.  trans-59.5131172.4-170.6178.140.700110.1G51 G53G51-Q55 PolarHBondContact N-O 3.49Å; G53-Q55 PolarHBondContact O-N 3.06Å
56K93.1Very high91.3Very high117 Ų11742.8 Ų42.851%0.50925%0.25SS..EExtended strand (participates in β ladder)trans-114.2123.1-178.7-55.2-172.2-179.81770110.3T48 E49 V50 G54T48-K56 HydrophobicContact CG2-CB 4.27Å; E49-K56 CarbonylContact O-C 3.59Å; E49-K56 VanDerWaalsContact O-CA 3.28Å; E49-K56 WeakPolarHBondContact O-CA 3.45Å; V50-K56 HydrophobicContact CG2-CD 4.45Å; V50-K56 HydrophobicContact CG2-CG 4.16Å; G54-K56 WeakPolarHBondContact O-CG 3.14Å; G54-K56 PolarHBondContact O-N 3.49Å
57S94.4Very high91.1Very high40 Ų4045.1 Ų45.128%0.2826%0.264SS..EExtended strand (participates in β ladder)trans-112.4141.7172.3-67.20000109.5T48 E49 Q134T48-S57 CarbonylContact C-O 3.58Å; T48-S57 VanDerWaalsContact CA-O 3.31Å; T48-S57 WeakPolarHBondContact CA-O 3.32Å; E49-S57 PolarHBondContact N-O 3.08Å; E49-S57 PolarHBondContact O-N 3.4Å; S57-Q134 VanDerWaalsContact CB-O 3.32Å; S57-Q134 WeakPolarHBondContact CB-O 3.32Å
58R94.7Very high91Very high105 Ų10547.7 Ų47.740%0.39628%0.276SS..EExtended strand (participates in β ladder)trans-135.8137.3-170.6-58.8178.2-174.291.3-7.4111.6I47 T48 L60 V133I47-R58 CarbonylContact O-C 3.54Å; I47-R58 VanDerWaalsContact O-CA 3.29Å; I47-R58 WeakPolarHBondContact O-CA 3.45Å; T48-R58 HydrophobicContact CG2-CG 3.91Å; R58-L60 HydrophobicContact CB-CD1 4.45Å; R58-V133 VanDerWaalsContact O-CG2 3.3Å; R58-V133 WeakPolarHBondContact O-CG2 3.48Å
59I95.7Very high91Very high1 Ų147.3 Ų47.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-118.8136168.9-64.5-175.6000108.1K46 I47 M61 Y109 L124 M126 V133 I135K46-I59 WeakPolarHBondContact CA-O 3.38Å; I47-I59 PolarHBondContact N-O 3.4Å; I47-I59 PolarHBondContact O-N 2.93Å; I59-M61 HydrophobicContact CG2-CE 3.67Å; I59-Y109 HydrophobicContact CG2-CD1 4.12Å; I59-Y109 HydrophobicContact CG2-CE1 4.03Å; I59-L124 HydrophobicContact CD1-CB 3.73Å; I59-L124 VanDerWaalsContact CD1-O 3.3Å; I59-L124 WeakPolarHBondContact CD1-O 3.03Å; I59-M126 HydrophobicContact CG1-CB 4.39Å; I59-M126 HydrophobicContact CG2-CB 4.04Å; I59-M126 HydrophobicContact CG2-SD 4.35Å; I59-V133 HydrophobicContact CG1-CG2 4.37Å; I59-I135 HydrophobicContact CD1-CD1 4.15Å; I59-I135 HydrophobicContact CD1-CG1 3.74Å; I59-I135 HydrophobicContact CG1-CG1 4.37Å; I59-I135 HydrophobicContact CG1-CG2 4.37Å
60L93.3Very high90.9Very high56 Ų5648.1 Ų48.129%0.29328%0.277SS..EExtended strand (participates in β ladder)trans-119.7134178.1-65.783.4000108.7F44 V45 K46 R58 R107 Y109F44-L60 HydrophobicContact CD2-CD2 4.4Å; F44-L60 HydrophobicContact CE2-CD2 4.01Å; V45-L60 WeakPolarHBondContact O-CA 3.47Å; K46-L60 HydrophobicContact CG-CG 4.46Å; R58-L60 HydrophobicContact CB-CD1 4.45Å; L60-R107 PolarHBondContact O-NH1 2.92Å; L60-Y109 WeakPolarHBondContact O-CE1 3.44Å; L60-Y109 PolarHBondContact O-OH 3.44Å; L60-Y109 VanDerWaalsContact O-OH 3.05Å
61M92.8Very high91Very high1 Ų152.5 Ų52.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-145.7150.9-178.568-167.674.400111.4F44 V45 I47 I59 V65 A66 M69 Y109F44-M61 CarbonylContact C-O 3.54Å; F44-M61 WeakPolarHBondContact CA-O 3.33Å; F44-M61 WeakPolarHBondContact CB-O 3.24Å; V45-M61 HydrophobicContact CB-CG 3.82Å; V45-M61 HydrophobicContact CG2-CG 4.5Å; V45-M61 PolarHBondContact N-O 2.92Å; V45-M61 PolarHBondContact O-N 3.05Å; I47-M61 HydrophobicContact CD1-CE 3.65Å; I47-M61 HydrophobicContact CG1-CE 4.07Å; I59-M61 HydrophobicContact CG2-CE 3.67Å; M61-V65 HydrophobicContact CB-CB 3.93Å; M61-V65 HydrophobicContact CB-CG1 3.67Å; M61-V65 HydrophobicContact CG-CG1 4.33Å; M61-V65 HydrophobicContact SD-CG1 4.27Å; M61-A66 HydrophobicContact CG-CB 4.03Å; M61-A66 HydrophobicContact SD-CB 3.85Å; M61-M69 HydrophobicContact CE-CE 3.65Å; M61-M69 HydrophobicContact CE-SD 3.52Å; M61-M69 VanDerWaalsContact CE-SD 3.52Å; M61-M69 HydrophobicContact SD-CB 4.49Å; M61-M69 HydrophobicContact SD-CE 3.89Å; M61-M69 HydrophobicContact SD-SD 3.66Å; M61-M69 VanDerWaalsContact SD-SD 3.66Å; M61-Y109 WeakPolarHBondContact CA-OH 3.4Å; M61-Y109 HydrophobicContact CB-CE1 3.82Å
62S90.4Very high91.6Very high27 Ų2753.9 Ų53.919%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-71.1162.917356.60000111V65 A66S62-V65 PolarHBondContact O-N 2.86Å; S62-V65 VanDerWaalsContact O-N 3.16Å; S62-V65 WeakPolarHBondContact OG-CG2 3.35Å; S62-A66 PolarHBondContact O-N 2.92Å
63M90Very high92.5Very high8 Ų848.1 Ų48.14%0.03927%0.266CS..Hα-helixtrans-54.5-44.1177.6-64.6-62.3-69.900112.8I36 R43 V45 V65 A66 L67 I153I36-M63 HydrophobicContact CD1-SD 4.2Å; R43-M63 HydrophobicContact CB-CG 3.84Å; R43-M63 HydrophobicContact CB-SD 4.33Å; V45-M63 HydrophobicContact CG2-SD 3.73Å; M63-V65 PolarHBondContact O-N 2.81Å; M63-A66 WeakPolarHBondContact O-CB 3.35Å; M63-A66 PolarHBondContact O-N 2.87Å; M63-A66 VanDerWaalsContact O-N 3.13Å; M63-L67 PolarHBondContact O-N 2.83Å; M63-I153 HydrophobicContact CE-CB 4.4Å; M63-I153 HydrophobicContact CE-CG1 4.25Å; M63-I153 HydrophobicContact CE-CG2 4.22Å
64P89.3Confident93.3Very high44 Ų4446.3 Ų46.329%0.28624%0.238SC..Hα-helixtrans-62.2-39.2176.3-25.336000113.7A66 L67 E68P64-A66 VanDerWaalsContact C-N 3.31Å; P64-A66 PolarHBondContact O-N 3Å; P64-L67 PolarHBondContact O-N 3.34Å; P64-E68 PolarHBondContact O-N 3.12Å
65V93.2Very high94Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-64.3-39174.7174.40000110.9M61 S62 M63 L67 E68 M69 I102 R104 Y109M61-V65 HydrophobicContact CB-CB 3.93Å; M61-V65 HydrophobicContact CB-CG1 3.67Å; M61-V65 HydrophobicContact CG-CG1 4.33Å; M61-V65 HydrophobicContact SD-CG1 4.27Å; S62-V65 PolarHBondContact O-N 2.86Å; S62-V65 VanDerWaalsContact O-N 3.16Å; S62-V65 WeakPolarHBondContact OG-CG2 3.35Å; M63-V65 PolarHBondContact O-N 2.81Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-E68 PolarHBondContact O-N 2.89Å; V65-M69 WeakPolarHBondContact O-CB 3.37Å; V65-M69 PolarHBondContact O-N 2.87Å; V65-I102 HydrophobicContact CG1-CD1 4.48Å; V65-I102 HydrophobicContact CG1-CG2 4.09Å; V65-I102 HydrophobicContact CG2-CG2 4.38Å; V65-R104 HydrophobicContact CG2-CB 3.69Å; V65-R104 HydrophobicContact CG2-CG 4.08Å; V65-Y109 HydrophobicContact CB-CE2 4.43Å; V65-Y109 HydrophobicContact CG1-CD1 4.43Å; V65-Y109 HydrophobicContact CG1-CD2 3.75Å; V65-Y109 HydrophobicContact CG1-CE1 4.31Å; V65-Y109 HydrophobicContact CG1-CE2 3.62Å; V65-Y109 HydrophobicContact CG1-CG 4.17Å; V65-Y109 HydrophobicContact CG2-CE2 4Å
66A94.3Very high94.5Very high0 Ų042.3 Ų42.30%021%0.205CC..Hα-helixtrans-65.5-38.6178.900000111.9V45 M61 S62 M63 P64 M69 K70 I153V45-A66 HydrophobicContact CB-CB 4.12Å; V45-A66 HydrophobicContact CG2-CB 3.44Å; V45-A66 VanDerWaalsContact CG2-CB 3.44Å; M61-A66 HydrophobicContact CG-CB 4.03Å; M61-A66 HydrophobicContact SD-CB 3.85Å; S62-A66 PolarHBondContact O-N 2.92Å; M63-A66 WeakPolarHBondContact O-CB 3.35Å; M63-A66 PolarHBondContact O-N 2.87Å; M63-A66 VanDerWaalsContact O-N 3.13Å; P64-A66 VanDerWaalsContact C-N 3.31Å; P64-A66 PolarHBondContact O-N 3Å; A66-M69 PolarHBondContact O-N 3.4Å; A66-K70 PolarHBondContact O-N 2.93Å; A66-I153 HydrophobicContact CB-CD1 3.59Å; A66-I153 HydrophobicContact CB-CG1 4.24Å
67L92.2Very high94.6Very high87 Ų8736.9 Ų36.946%0.45518%0.182SC..Hα-helixtrans-63.1-47.2174.5-175.665.1000111.4M63 P64 V65 K70 E71 I153M63-L67 PolarHBondContact O-N 2.83Å; P64-L67 PolarHBondContact O-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.34Å; L67-K70 WeakPolarHBondContact O-CB 3.39Å; L67-K70 PolarHBondContact O-N 2.92Å; L67-E71 PolarHBondContact O-N 2.94Å; L67-I153 HydrophobicContact CD1-CG2 4.5Å
68E95Very high94.8Very high54 Ų5438.8 Ų38.825%0.25219%0.189SC..Hα-helixtrans-63.5-41.5176-169.5178.2161.500111.5P64 V65 K70 E71 K72 I102 R104P64-E68 PolarHBondContact O-N 3.12Å; V65-E68 PolarHBondContact O-N 2.89Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 2.91Å; E68-E71 PolarHBondContact O-N 3.28Å; E68-E71 VanDerWaalsContact O-N 3.14Å; E68-K72 WeakPolarHBondContact O-CG 3.27Å; E68-K72 PolarHBondContact O-N 2.99Å; E68-I102 HydrophobicContact CB-CD1 4.13Å; E68-I102 HydrophobicContact CG-CD1 3.99Å; E68-I102 HydrophobicContact CG-CG1 4.03Å; E68-I102 HydrophobicContact CG-CG2 4.4Å; E68-I102 WeakPolarHBondContact OE2-CG2 3.44Å; E68-R104 IonicContact OE2-CZ 2.69Å; E68-R104 IonicContact OE2-NH1 2.68Å; E68-R104 PolarHBondContact OE2-NH1 3.31Å; E68-R104 IonicContact OE2-NH2 3.82Å; E68-R104 PolarHBondContact OE2-NH2 2.85Å
69M96.5Very high94.8Very high1 Ų136 Ų361%0.00518%0.183CC..Hα-helixtrans-59-40.9177.5178.2167.1-64.700112.2I47 M61 V65 A66 E71 K72 I73 I102 Y109 L111 L124 L149I47-M69 HydrophobicContact CD1-SD 4.4Å; M61-M69 HydrophobicContact CE-CE 3.65Å; M61-M69 HydrophobicContact CE-SD 3.52Å; M61-M69 VanDerWaalsContact CE-SD 3.52Å; M61-M69 HydrophobicContact SD-CB 4.49Å; M61-M69 HydrophobicContact SD-CE 3.89Å; M61-M69 HydrophobicContact SD-SD 3.66Å; M61-M69 VanDerWaalsContact SD-SD 3.66Å; V65-M69 WeakPolarHBondContact O-CB 3.37Å; V65-M69 PolarHBondContact O-N 2.87Å; A66-M69 PolarHBondContact O-N 3.4Å; M69-E71 VanDerWaalsContact C-N 3.33Å; M69-E71 PolarHBondContact O-N 2.85Å; M69-K72 PolarHBondContact O-N 3.41Å; M69-I73 HydrophobicContact CG-CD1 3.65Å; M69-I73 HydrophobicContact CG-CG1 4.2Å; M69-I73 WeakPolarHBondContact O-CB 3.22Å; M69-I73 WeakPolarHBondContact O-CG1 3.35Å; M69-I73 PolarHBondContact O-N 2.98Å; M69-I73 HydrophobicContact SD-CD1 4.41Å; M69-I102 HydrophobicContact CB-CD1 3.84Å; M69-Y109 HydrophobicContact CE-CD1 4.24Å; M69-Y109 HydrophobicContact CE-CG 4.45Å; M69-L111 HydrophobicContact CG-CD2 4.19Å; M69-L124 HydrophobicContact SD-CD1 4.08Å; M69-L149 HydrophobicContact CG-CD1 4.38Å
70K95.1Very high94.9Very high39 Ų3939 Ų3917%0.1720%0.195CC..Hα-helixtrans-57.3-45.2175.3-179.8-153.860.9160.90111.4A66 L67 E68 I73 N74 R146 T150A66-K70 PolarHBondContact O-N 2.93Å; L67-K70 WeakPolarHBondContact O-CB 3.39Å; L67-K70 PolarHBondContact O-N 2.92Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 2.91Å; K70-I73 PolarHBondContact O-N 2.83Å; K70-N74 PolarHBondContact O-N 2.88Å; K70-R146 HydrophobicContact CG-CG 3.74Å; K70-T150 HydrophobicContact CD-CG2 4.36Å; K70-T150 WeakPolarHBondContact CD-OG1 3.3Å
71E96.1Very high95Very high102 Ų10240.6 Ų40.648%0.47721%0.211SC..Hα-helixtrans-65.9-43.6177.9-59.6-55.1145.800111.9L67 E68 M69 I73 N74 K75L67-E71 PolarHBondContact O-N 2.94Å; E68-E71 PolarHBondContact O-N 3.28Å; E68-E71 VanDerWaalsContact O-N 3.14Å; M69-E71 VanDerWaalsContact C-N 3.33Å; M69-E71 PolarHBondContact O-N 2.85Å; E71-I73 PolarHBondContact O-N 3.28Å; E71-N74 WeakPolarHBondContact O-CB 3.49Å; E71-N74 PolarHBondContact O-N 3.4Å; E71-K75 PolarHBondContact O-N 2.76Å; E71-K75 VanDerWaalsContact O-N 3.08Å
72K97.6Very high95.1Very high49 Ų4948.4 Ų48.421%0.21325%0.247CC..Hα-helixtrans-63.8-39.5176.9-60-49.7-169.51510112.3E68 M69 N74 K75 L76 D100 I102 L111E68-K72 WeakPolarHBondContact O-CG 3.27Å; E68-K72 PolarHBondContact O-N 2.99Å; M69-K72 PolarHBondContact O-N 3.41Å; K72-N74 VanDerWaalsContact C-N 3.32Å; K72-K75 PolarHBondContact O-N 2.78Å; K72-L76 WeakPolarHBondContact O-CG 3.28Å; K72-L76 PolarHBondContact O-N 2.91Å; K72-D100 HydrophobicContact CB-CB 4.5Å; K72-D100 HydrophobicContact CD-CB 4.32Å; K72-D100 WeakPolarHBondContact CD-OD2 3.4Å; K72-D100 WeakPolarHBondContact CE-OD1 3.36Å; K72-D100 IonicContact NZ-OD1 3.56Å; K72-D100 PolarHBondContact NZ-OD1 3.31Å; K72-D100 IonicContact NZ-OD2 2.88Å; K72-D100 PolarHBondContact NZ-OD2 2.8Å; K72-I102 HydrophobicContact CG-CD1 4.14Å; K72-I102 HydrophobicContact CG-CG1 4.19Å; K72-L111 HydrophobicContact CB-CD2 3.81Å
73I97.8Very high95.2Very high0 Ų049.4 Ų49.40%025%0.251CS..Hα-helixtrans-63.2-40.7174.6-69165.9000110.3M69 K70 E71 L76 S77 L111 L122 M142 L145 R146 L149M69-I73 HydrophobicContact CG-CD1 3.65Å; M69-I73 HydrophobicContact CG-CG1 4.2Å; M69-I73 WeakPolarHBondContact O-CB 3.22Å; M69-I73 WeakPolarHBondContact O-CG1 3.35Å; M69-I73 PolarHBondContact O-N 2.98Å; M69-I73 HydrophobicContact SD-CD1 4.41Å; K70-I73 PolarHBondContact O-N 2.83Å; E71-I73 PolarHBondContact O-N 3.28Å; I73-L76 PolarHBondContact O-N 2.98Å; I73-S77 WeakPolarHBondContact O-CB 3.48Å; I73-S77 PolarHBondContact O-N 2.87Å; I73-L111 HydrophobicContact CG1-CD2 4.06Å; I73-L122 HydrophobicContact CG1-CD2 4.03Å; I73-M142 HydrophobicContact CG2-CB 4.13Å; I73-M142 WeakPolarHBondContact CG2-O 3.46Å; I73-L145 HydrophobicContact CD1-CD2 3.85Å; I73-L145 HydrophobicContact CD1-CG 4.28Å; I73-R146 HydrophobicContact CG2-CB 3.91Å; I73-L149 HydrophobicContact CD1-CD1 3.86Å
74N97Very high95.3Very high42 Ų4253.6 Ų53.623%0.22528%0.278CS..Hα-helixtrans-60.4-49.9177.5-164.377.3000111.4K70 E71 K72 L76 S77 D78 R146K70-N74 PolarHBondContact O-N 2.88Å; E71-N74 WeakPolarHBondContact O-CB 3.49Å; E71-N74 PolarHBondContact O-N 3.4Å; K72-N74 VanDerWaalsContact C-N 3.32Å; N74-L76 VanDerWaalsContact C-N 3.35Å; N74-L76 PolarHBondContact O-N 3.21Å; N74-S77 WeakPolarHBondContact O-CA 3.39Å; N74-S77 WeakPolarHBondContact O-CB 3.34Å; N74-S77 PolarHBondContact O-N 2.89Å; N74-D78 PolarHBondContact ND2-OD2 2.8Å; N74-D78 PolarHBondContact O-N 3.19Å; N74-R146 PolarHBondContact OD1-NE 2.93Å; N74-R146 PolarHBondContact OD1-NH2 2.83Å
75K97.4Very high95.3Very high113 Ų11356.8 Ų56.849%0.49130%0.302SS..Hα-helixtrans-56.2-44175.6177.3-174.1168.4-1650113.3E71 K72 S77 D78 T79 D100E71-K75 PolarHBondContact O-N 2.76Å; E71-K75 VanDerWaalsContact O-N 3.08Å; K72-K75 PolarHBondContact O-N 2.78Å; K75-S77 VanDerWaalsContact C-N 3.31Å; K75-D78 PolarHBondContact O-N 3.33Å; K75-T79 PolarHBondContact O-N 2.8Å; K75-T79 VanDerWaalsContact O-N 3.1Å; K75-T79 PolarHBondContact O-OG1 3.11Å; K75-T79 VanDerWaalsContact O-OG1 3.04Å; K75-D100 IonicContact NZ-OD2 2.83Å; K75-D100 PolarHBondContact NZ-OD2 2.79Å
76L97.8Very high95Very high2 Ų259.7 Ų59.71%0.0132%0.315CS..Hα-helixtrans-69-31.7177.3-70173.2000112K72 I73 N74 T79 Y80 A98 L111 L113 L122K72-L76 WeakPolarHBondContact O-CG 3.28Å; K72-L76 PolarHBondContact O-N 2.91Å; I73-L76 PolarHBondContact O-N 2.98Å; N74-L76 VanDerWaalsContact C-N 3.35Å; N74-L76 PolarHBondContact O-N 3.21Å; L76-T79 WeakPolarHBondContact O-CB 3.41Å; L76-T79 PolarHBondContact O-N 3.02Å; L76-Y80 WeakPolarHBondContact O-CB 3.44Å; L76-Y80 PolarHBondContact O-N 3.49Å; L76-A98 HydrophobicContact CD2-CB 3.61Å; L76-L111 HydrophobicContact CD1-CB 3.73Å; L76-L111 HydrophobicContact CD1-CD2 4.49Å; L76-L113 HydrophobicContact CD2-CB 4.21Å; L76-L122 HydrophobicContact CD1-CD1 3.67Å
77S96.6Very high94.6Very high4 Ų463.4 Ų63.43%0.02834%0.335CS..Hα-helixtrans-68.4-38.3173.5-1670000112.5I73 N74 K75 T79 Y80 S81 I143I73-S77 WeakPolarHBondContact O-CB 3.48Å; I73-S77 PolarHBondContact O-N 2.87Å; N74-S77 WeakPolarHBondContact O-CA 3.39Å; N74-S77 WeakPolarHBondContact O-CB 3.34Å; N74-S77 PolarHBondContact O-N 2.89Å; K75-S77 VanDerWaalsContact C-N 3.31Å; S77-T79 VanDerWaalsContact C-N 3.32Å; S77-Y80 PolarHBondContact O-N 2.69Å; S77-S81 PolarHBondContact O-N 3.19Å; S77-S81 PolarHBondContact O-OG 2.95Å; S77-I143 WeakPolarHBondContact OG-CD1 3.28Å; S77-I143 WeakPolarHBondContact OG-CG1 3.42Å
78D97.1Very high94.2Very high80 Ų8067.5 Ų67.543%0.42834%0.344SS..Hα-helixtrans-62.5-43.5173.5-61.7-28.7000110.2N74 K75 Y80 S81 Q82N74-D78 PolarHBondContact ND2-OD2 2.8Å; N74-D78 PolarHBondContact O-N 3.19Å; K75-D78 PolarHBondContact O-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.9Å; D78-S81 PolarHBondContact O-N 2.96Å; D78-Q82 PolarHBondContact O-N 3.12Å
79T96.3Very high93.4Very high45 Ų4573.7 Ų73.728%0.27637%0.373SS..Hα-helixtrans-59-49.2174-53.30000110.9K75 L76 S77 S81 Q82 L83 A98 L113K75-T79 PolarHBondContact O-N 2.8Å; K75-T79 VanDerWaalsContact O-N 3.1Å; K75-T79 PolarHBondContact O-OG1 3.11Å; K75-T79 VanDerWaalsContact O-OG1 3.04Å; L76-T79 WeakPolarHBondContact O-CB 3.41Å; L76-T79 PolarHBondContact O-N 3.02Å; S77-T79 VanDerWaalsContact C-N 3.32Å; T79-S81 VanDerWaalsContact C-N 3.26Å; T79-S81 PolarHBondContact O-N 2.99Å; T79-Q82 PolarHBondContact O-N 2.99Å; T79-Q82 VanDerWaalsContact O-N 3.16Å; T79-L83 WeakPolarHBondContact O-CG 3.33Å; T79-A98 HydrophobicContact CG2-CB 4.1Å; T79-L113 HydrophobicContact CG2-CD2 4.49Å
80Y96.1Very high92.6Very high65 Ų6577.7 Ų77.726%0.25540%0.401SS..Hα-helixtrans-57.6-37.1178.2168-109.4000113.2L76 S77 D78 Q82 L83 R120 A139 M142L76-Y80 WeakPolarHBondContact O-CB 3.44Å; L76-Y80 PolarHBondContact O-N 3.49Å; S77-Y80 PolarHBondContact O-N 2.69Å; D78-Y80 PolarHBondContact O-N 2.9Å; Y80-Q82 PolarHBondContact O-N 2.74Å; Y80-L83 HydrophobicContact CD2-CD1 4.37Å; Y80-L83 PolarHBondContact O-N 2.67Å; Y80-R120 HydrophobicContact CD2-CB 4.38Å; Y80-R120 HydrophobicContact CE2-CB 4.07Å; Y80-A139 HydrophobicContact CD1-CB 4.42Å; Y80-A139 HydrophobicContact CD2-CB 3.68Å; Y80-A139 HydrophobicContact CE1-CB 4.24Å; Y80-A139 HydrophobicContact CE2-CB 3.46Å; Y80-A139 VanDerWaalsContact CE2-CB 3.46Å; Y80-A139 HydrophobicContact CG-CB 4.17Å; Y80-M142 HydrophobicContact CD1-CE 3.84Å; Y80-M142 HydrophobicContact CG-CE 3.71Å
81S95.5Very high91.9Very high90 Ų9078.5 Ų78.563%0.62941%0.407SS*.Hα-helixtrans-69.6-20.8-178.6-55.70000113.3S77 D78 T79S77-S81 PolarHBondContact O-N 3.19Å; S77-S81 PolarHBondContact O-OG 2.95Å; D78-S81 PolarHBondContact O-N 2.96Å; T79-S81 VanDerWaalsContact C-N 3.26Å; T79-S81 PolarHBondContact O-N 2.99Å
82Q95Very high91Very high164 Ų16476 Ų7677%0.76640%0.404SS*.Hα-helixtrans-93-8.6178.7-64.6174.112.200113.2D78 T79 Y80D78-Q82 PolarHBondContact O-N 3.12Å; T79-Q82 PolarHBondContact O-N 2.99Å; T79-Q82 VanDerWaalsContact O-N 3.16Å; Y80-Q82 PolarHBondContact O-N 2.74Å
83L92.9Very high90.1Very high49 Ų4983.6 Ų83.626%0.25744%0.44SS..SBendtrans-75.9147.7-177.4-64.8171.1000111.5T79 Y80 I97 L113T79-L83 WeakPolarHBondContact O-CG 3.33Å; Y80-L83 HydrophobicContact CD2-CD1 4.37Å; Y80-L83 PolarHBondContact O-N 2.67Å; L83-I97 HydrophobicContact CD1-CD1 3.94Å; L83-I97 HydrophobicContact CD1-CG2 3.81Å; L83-I97 HydrophobicContact CD2-CG2 3.88Å; L83-I97 HydrophobicContact CG-CG2 4.45Å; L83-L113 HydrophobicContact CD1-CD2 4.29Å
84P91.9Very high89.4Confident96 Ų9687.1 Ų87.162%0.62346%0.459SS*.PPolyproline II helixtrans-63.3172172.129-35.9000111.3R120P84-R120 PolarHBondContact O-NH1 3.07Å; P84-R120 PolarHBondContact O-NH2 2.79Å
85S88.8Confident89.1Confident111 Ų11185.4 Ų85.478%0.77645%0.451SS*.PPolyproline II helixtrans-52.4146.8171480000111.3N87S85-N87 PolarHBondContact O-N 2.89Å
86H88.4Confident88.9Confident61 Ų6185.9 Ų85.928%0.28245%0.45SS..PPolyproline II helixtrans-63.6124.7179.8174.5-103.4000110.1N116H86-N116 PolarHBondContact CE1-O 2.8Å; H86-N116 VanDerWaalsContact CE1-O 3.25Å; H86-N116 PolarHBondContact NE2-O 2.97Å
87N85.9Confident88.7Confident78 Ų7888 Ų8842%0.41746%0.461SS..  trans-118.1119.8176-175.1-2000109.6S85 E89 S90S85-N87 PolarHBondContact O-N 2.89Å; N87-E89 VanDerWaalsContact C-N 3.25Å; N87-E89 PolarHBondContact O-N 2.84Å; N87-E89 PolarHBondContact OD1-N 3.27Å; N87-S90 PolarHBondContact O-N 2.81Å
88R84.4Confident88.7Confident173 Ų17388.9 Ų88.965%0.65347%0.468SS*.THydrogen-bonded Turntrans-68.9-22.8-179.6-67.1-179.7178.5163.56.6113.4L91 E117R88-L91 WeakPolarHBondContact O-CG 3.44Å; R88-E117 PolarHBondContact NE-O 3.02Å
89E77.9Confident88.7Confident183 Ų18388 Ų8886%0.85547%0.468SS*.THydrogen-bonded Turntrans-86.1-14.7-176-61.4176.3177.800112.7N87N87-E89 VanDerWaalsContact C-N 3.25Å; N87-E89 PolarHBondContact O-N 2.84Å; N87-E89 PolarHBondContact OD1-N 3.27Å
90S78.5Confident88.8Confident85 Ų8587 Ų8759%0.59446%0.461SS*.SBendtrans-11841.9-174.3-177.40000112N87N87-S90 PolarHBondContact O-N 2.81Å
91L80.2Confident88.8Confident57 Ų5787.2 Ų87.230%0.29847%0.466SS..  trans-80.4131178.7-61.7174.4000110.7R88 E115 E117R88-L91 WeakPolarHBondContact O-CG 3.44Å; L91-E115 HydrophobicContact CD2-CB 4.07Å; L91-E115 HydrophobicContact CD2-CG 3.81Å; L91-E117 HydrophobicContact CD1-CG 4.21Å
92A77.6Confident88.8Confident48 Ų4883 Ų8340%0.39744%0.436SS..  trans-58.5148.216900000111.1D94 G95A92-D94 PolarHBondContact O-N 2.82Å; A92-D94 VanDerWaalsContact O-N 3.11Å; A92-G95 WeakPolarHBondContact O-CA 3.43Å; A92-G95 PolarHBondContact O-N 2.93Å
93Q78.5Confident88.7Confident210 Ų21079.3 Ų79.398%0.98143%0.425SS*.THydrogen-bonded Turntrans-55.6-35.5-174.3-170.4178.314.700113.6
94D84.4Confident88.4Confident74 Ų7480.6 Ų80.640%0.39643%0.426SS..THydrogen-bonded Turntrans-102.6-0.7175.878.6-13.8000113.6A92 R96 K114A92-D94 PolarHBondContact O-N 2.82Å; A92-D94 VanDerWaalsContact O-N 3.11Å; D94-R96 PolarHBondContact O-N 2.66Å; D94-R96 WeakPolarHBondContact OD1-CB 3.04Å; D94-R96 PolarHBondContact OD1-N 3.05Å; D94-R96 WeakPolarHBondContact OD2-CD 3.42Å; D94-R96 WeakPolarHBondContact OD2-CG 3.29Å; D94-R96 IonicContact OD2-CZ 2.76Å; D94-R96 IonicContact OD2-NE 2.97Å; D94-R96 PolarHBondContact OD2-NE 3.39Å; D94-R96 IonicContact OD2-NH2 3.35Å; D94-R96 PolarHBondContact OD2-NH2 3.03Å; D94-K114 WeakPolarHBondContact O-CE 3.34Å; D94-K114 PolarHBondContact O-NZ 2.95Å
95G89.2Confident87.7Confident6 Ų681.6 Ų81.66%0.06243%0.426CS..  trans61.419.7-177.100000114.5A92 K114 E115A92-G95 WeakPolarHBondContact O-CA 3.43Å; A92-G95 PolarHBondContact O-N 2.93Å; G95-K114 CarbonylContact O-C 3.5Å; G95-K114 WeakPolarHBondContact O-CA 3.48Å; G95-K114 VanDerWaalsContact O-CB 3.23Å; G95-K114 WeakPolarHBondContact O-CB 3.33Å; G95-K114 WeakPolarHBondContact O-CE 3.29Å; G95-E115 WeakPolarHBondContact CA-O 3.33Å; G95-E115 PolarHBondContact O-N 2.86Å
96R93.2Very high87.3Confident123 Ų12378.6 Ų78.646%0.46441%0.405SS..EExtended strand (participates in β ladder)trans-88.2134.3177.4-70.2-173.9-124.8-174.94.6111D94 K114D94-R96 PolarHBondContact O-N 2.66Å; D94-R96 WeakPolarHBondContact OD1-CB 3.04Å; D94-R96 PolarHBondContact OD1-N 3.05Å; D94-R96 WeakPolarHBondContact OD2-CD 3.42Å; D94-R96 WeakPolarHBondContact OD2-CG 3.29Å; D94-R96 IonicContact OD2-CZ 2.76Å; D94-R96 IonicContact OD2-NE 2.97Å; D94-R96 PolarHBondContact OD2-NE 3.39Å; D94-R96 IonicContact OD2-NH2 3.35Å; D94-R96 PolarHBondContact OD2-NH2 3.03Å; R96-K114 HydrophobicContact CG-CD 4.16Å; R96-K114 HydrophobicContact CG-CG 4.17Å
97I94.4Very high87.3Confident47 Ų4779.1 Ų79.124%0.24141%0.405CS..EExtended strand (participates in β ladder)trans-105.4-50.6176.5-62159.5000110.1L83 L113 E115 R120L83-I97 HydrophobicContact CD1-CD1 3.94Å; L83-I97 HydrophobicContact CD1-CG2 3.81Å; L83-I97 HydrophobicContact CD2-CG2 3.88Å; L83-I97 HydrophobicContact CG-CG2 4.45Å; I97-L113 HydrophobicContact CB-CD2 4.36Å; I97-L113 HydrophobicContact CB-CG 4.23Å; I97-L113 WeakPolarHBondContact CB-O 3.39Å; I97-L113 HydrophobicContact CD1-CG 4.19Å; I97-L113 HydrophobicContact CG2-CD2 4.17Å; I97-L113 PolarHBondContact N-O 3.17Å; I97-E115 HydrophobicContact CD1-CB 3.95Å; I97-E115 HydrophobicContact CD1-CG 3.97Å; I97-E115 HydrophobicContact CG1-CG 4.08Å; I97-R120 HydrophobicContact CD1-CG 4.01Å
98A96.2Very high87.8Confident22 Ų2280.7 Ų80.718%0.18241%0.405CS..EExtended strand (participates in β ladder)trans-150148.8178.800000110L76 T79 L113L76-A98 HydrophobicContact CD2-CB 3.61Å; T79-A98 HydrophobicContact CG2-CB 4.1Å; A98-L113 HydrophobicContact CB-CB 4.38Å; A98-L113 PolarHBondContact N-O 3.19Å; A98-L113 PolarHBondContact O-N 3.25Å
99S97.2Very high88.4Confident61 Ų6172.7 Ų72.743%0.42738%0.375SS..EExtended strand (participates in β ladder)trans-136146.4-179.4-71.20000111L111 D112S99-L111 CarbonylContact C-O 3.52Å; S99-L111 VanDerWaalsContact CA-O 3.29Å; S99-L111 WeakPolarHBondContact CA-O 3.3Å; S99-D112 WeakPolarHBondContact CB-OD1 3.31Å; S99-D112 PolarHBondContact OG-OD1 3.33Å
100D98Very high89.4Confident23 Ų2367 Ų6712%0.12335%0.346CS..EExtended strand (participates in β ladder)trans-138.7162.5167.9-139.3-53.8000109.8K72 K75 L111K72-D100 HydrophobicContact CB-CB 4.5Å; K72-D100 HydrophobicContact CD-CB 4.32Å; K72-D100 WeakPolarHBondContact CD-OD2 3.4Å; K72-D100 WeakPolarHBondContact CE-OD1 3.36Å; K72-D100 IonicContact NZ-OD1 3.56Å; K72-D100 PolarHBondContact NZ-OD1 3.31Å; K72-D100 IonicContact NZ-OD2 2.88Å; K72-D100 PolarHBondContact NZ-OD2 2.8Å; K75-D100 IonicContact NZ-OD2 2.83Å; K75-D100 PolarHBondContact NZ-OD2 2.79Å; D100-L111 PolarHBondContact N-O 3.37Å; D100-L111 PolarHBondContact O-N 2.86Å
101I97.3Very high90.3Very high71 Ų7163 Ų6336%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-137.9139.7-177.9-167.7176000110.7V103 Y109 Y110I101-V103 HydrophobicContact CD1-CG2 3.94Å; I101-V103 HydrophobicContact CG1-CG2 4.04Å; I101-Y109 CarbonylContact C-O 3.55Å; I101-Y109 WeakPolarHBondContact CA-O 3.29Å; I101-Y110 HydrophobicContact CD1-CD1 4Å; I101-Y110 HydrophobicContact CD1-CE1 3.5Å; I101-Y110 VanDerWaalsContact CD1-CE1 3.5Å; I101-Y110 HydrophobicContact CG1-CD1 4.18Å; I101-Y110 HydrophobicContact CG1-CE1 4.18Å
102I95.9Very high91.2Very high0 Ų060.5 Ų60.50%031%0.305CS..EExtended strand (participates in β ladder)trans-117.2128.8169.1-55.4169.3000107.7V65 E68 M69 K72 R108 Y109 L111V65-I102 HydrophobicContact CG1-CD1 4.48Å; V65-I102 HydrophobicContact CG1-CG2 4.09Å; V65-I102 HydrophobicContact CG2-CG2 4.38Å; E68-I102 HydrophobicContact CB-CD1 4.13Å; E68-I102 HydrophobicContact CG-CD1 3.99Å; E68-I102 HydrophobicContact CG-CG1 4.03Å; E68-I102 HydrophobicContact CG-CG2 4.4Å; E68-I102 WeakPolarHBondContact OE2-CG2 3.44Å; M69-I102 HydrophobicContact CB-CD1 3.84Å; K72-I102 HydrophobicContact CG-CD1 4.14Å; K72-I102 HydrophobicContact CG-CG1 4.19Å; I102-R108 CarbonylContact O-C 3.57Å; I102-R108 WeakPolarHBondContact O-CA 3.3Å; I102-Y109 HydrophobicContact CB-CD2 4.28Å; I102-Y109 HydrophobicContact CG2-CD2 4.36Å; I102-Y109 PolarHBondContact N-O 2.79Å; I102-Y109 PolarHBondContact O-N 2.78Å; I102-L111 HydrophobicContact CD1-CD1 4.05Å; I102-L111 HydrophobicContact CG1-CD1 4.08Å
103V92.6Very high92.1Very high87 Ų8758.2 Ų58.253%0.52729%0.286SS..EExtended strand (participates in β ladder)trans-120.3119.3177.4-175.20000108.2I101 R107 R108I101-V103 HydrophobicContact CD1-CG2 3.94Å; I101-V103 HydrophobicContact CG1-CG2 4.04Å; V103-R107 WeakPolarHBondContact CA-O 3.48Å; V103-R108 HydrophobicContact CG1-CG 4.32Å; V103-R108 HydrophobicContact CG2-CG 4.19Å
104R86.2Confident93Very high77 Ų7749.7 Ų49.729%0.29125%0.246SC..EExtended strand (participates in β ladder)trans-155.5140.2177.5-168.2159.3-71.1106.84.2110.6V65 E68 S106 R107V65-R104 HydrophobicContact CG2-CB 3.69Å; V65-R104 HydrophobicContact CG2-CG 4.08Å; E68-R104 IonicContact OE2-CZ 2.69Å; E68-R104 IonicContact OE2-NH1 2.68Å; E68-R104 PolarHBondContact OE2-NH1 3.31Å; E68-R104 IonicContact OE2-NH2 3.82Å; E68-R104 PolarHBondContact OE2-NH2 2.85Å; R104-S106 PolarHBondContact O-N 2.89Å; R104-R107 PolarHBondContact N-O 2.76Å; R104-R107 WeakPolarHBondContact O-CA 3.49Å; R104-R107 WeakPolarHBondContact O-CB 3.19Å; R104-R107 PolarHBondContact O-N 3.31Å; R104-R107 VanDerWaalsContact O-O 3.12Å
105D76.6Confident93.5Very high117 Ų11747.5 Ų47.563%0.62623%0.233SC*.THydrogen-bonded Turntrans52.445.9173.6-46.8-32.1000115.5R107D105-R107 PolarHBondContact O-N 3.35Å; D105-R107 VanDerWaalsContact O-N 3.12Å
106S81.3Confident93.7Very high47 Ų4750.3 Ų50.333%0.32925%0.246SC..THydrogen-bonded Turntrans60.214.3-172.3-58.50000115.2R104 R195R104-S106 PolarHBondContact O-N 2.89Å; S106-R195 PolarHBondContact OG-NH2 2.68Å
107R88.6Confident93.6Very high73 Ų7351.2 Ų51.228%0.27526%0.256SS..EExtended strand (participates in β ladder)trans-109.3146173.1-56.8-175.1-178.9167.88110.2L60 V103 R104 D105 Y109 L127L60-R107 PolarHBondContact O-NH1 2.92Å; V103-R107 WeakPolarHBondContact CA-O 3.48Å; R104-R107 PolarHBondContact N-O 2.76Å; R104-R107 WeakPolarHBondContact O-CA 3.49Å; R104-R107 WeakPolarHBondContact O-CB 3.19Å; R104-R107 PolarHBondContact O-N 3.31Å; R104-R107 VanDerWaalsContact O-O 3.12Å; D105-R107 PolarHBondContact O-N 3.35Å; D105-R107 VanDerWaalsContact O-N 3.12Å; R107-Y109 HydrophobicContact CB-CE2 3.8Å; R107-Y109 VanDerWaalsContact CD-OH 3.29Å; R107-Y109 WeakPolarHBondContact CD-OH 3.29Å; R107-L127 WeakPolarHBondContact CA-O 3.3Å
108R95.5Very high93.4Very high111 Ų11160.2 Ų60.242%0.41929%0.287SS..EExtended strand (participates in β ladder)trans-121.8128.4172.7-58.6-178-178.1163.3-1.5109I102 V103 Y110 M126 L127I102-R108 CarbonylContact O-C 3.57Å; I102-R108 WeakPolarHBondContact O-CA 3.3Å; V103-R108 HydrophobicContact CG1-CG 4.32Å; V103-R108 HydrophobicContact CG2-CG 4.19Å; R108-Y110 HydrophobicContact CB-CD2 4.48Å; R108-Y110 HydrophobicContact CB-CE2 3.74Å; R108-Y110 WeakPolarHBondContact CD-OH 3.47Å; R108-M126 CarbonylContact O-C 3.51Å; R108-M126 WeakPolarHBondContact O-CA 3.4Å; R108-L127 HydrophobicContact CB-CB 4.43Å; R108-L127 PolarHBondContact N-O 2.97Å; R108-L127 PolarHBondContact O-N 2.81Å
109Y97.8Very high93.3Very high5 Ų559.9 Ų59.92%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-111.1115.9174.8-52.5-98.3000107.9I59 L60 M61 V65 M69 I101 I102 R107 A125 M126I59-Y109 HydrophobicContact CG2-CD1 4.12Å; I59-Y109 HydrophobicContact CG2-CE1 4.03Å; L60-Y109 WeakPolarHBondContact O-CE1 3.44Å; L60-Y109 PolarHBondContact O-OH 3.44Å; L60-Y109 VanDerWaalsContact O-OH 3.05Å; M61-Y109 WeakPolarHBondContact CA-OH 3.4Å; M61-Y109 HydrophobicContact CB-CE1 3.82Å; V65-Y109 HydrophobicContact CB-CE2 4.43Å; V65-Y109 HydrophobicContact CG1-CD1 4.43Å; V65-Y109 HydrophobicContact CG1-CD2 3.75Å; V65-Y109 HydrophobicContact CG1-CE1 4.31Å; V65-Y109 HydrophobicContact CG1-CE2 3.62Å; V65-Y109 HydrophobicContact CG1-CG 4.17Å; V65-Y109 HydrophobicContact CG2-CE2 4Å; M69-Y109 HydrophobicContact CE-CD1 4.24Å; M69-Y109 HydrophobicContact CE-CG 4.45Å; I101-Y109 CarbonylContact C-O 3.55Å; I101-Y109 WeakPolarHBondContact CA-O 3.29Å; I102-Y109 HydrophobicContact CB-CD2 4.28Å; I102-Y109 HydrophobicContact CG2-CD2 4.36Å; I102-Y109 PolarHBondContact N-O 2.79Å; I102-Y109 PolarHBondContact O-N 2.78Å; R107-Y109 HydrophobicContact CB-CE2 3.8Å; R107-Y109 VanDerWaalsContact CD-OH 3.29Å; R107-Y109 WeakPolarHBondContact CD-OH 3.29Å; Y109-A125 CarbonylContact C-O 3.5Å; Y109-A125 VanDerWaalsContact CA-O 3.29Å; Y109-A125 WeakPolarHBondContact CA-O 3.32Å; Y109-M126 HydrophobicContact CD1-CB 3.92Å; Y109-M126 HydrophobicContact CD1-CG 3.94Å; Y109-M126 HydrophobicContact CE1-CB 4.02Å; Y109-M126 HydrophobicContact CE1-CG 3.61Å; Y109-M126 HydrophobicContact CE1-SD 3.67Å
110Y98Very high93.2Very high63 Ų6358.5 Ų58.525%0.24727%0.271CS..EExtended strand (participates in β ladder)trans-97.1127.8176.4-60.1-90000108.6I101 R108 L124 A125 L127I101-Y110 HydrophobicContact CD1-CD1 4Å; I101-Y110 HydrophobicContact CD1-CE1 3.5Å; I101-Y110 VanDerWaalsContact CD1-CE1 3.5Å; I101-Y110 HydrophobicContact CG1-CD1 4.18Å; I101-Y110 HydrophobicContact CG1-CE1 4.18Å; R108-Y110 HydrophobicContact CB-CD2 4.48Å; R108-Y110 HydrophobicContact CB-CE2 3.74Å; R108-Y110 WeakPolarHBondContact CD-OH 3.47Å; Y110-L124 WeakPolarHBondContact O-CA 3.44Å; Y110-A125 PolarHBondContact N-O 2.8Å; Y110-A125 PolarHBondContact O-N 2.91Å; Y110-L127 HydrophobicContact CE2-CB 4.25Å
111L98.3Very high93.2Very high0 Ų059.3 Ų59.30%027%0.274CS..EExtended strand (participates in β ladder)trans-114.5101.6176-60.690.8000107.5M69 K72 I73 L76 S99 D100 I102 L122 L124M69-L111 HydrophobicContact CG-CD2 4.19Å; K72-L111 HydrophobicContact CB-CD2 3.81Å; I73-L111 HydrophobicContact CG1-CD2 4.06Å; L76-L111 HydrophobicContact CD1-CB 3.73Å; L76-L111 HydrophobicContact CD1-CD2 4.49Å; S99-L111 CarbonylContact C-O 3.52Å; S99-L111 VanDerWaalsContact CA-O 3.29Å; S99-L111 WeakPolarHBondContact CA-O 3.3Å; D100-L111 PolarHBondContact N-O 3.37Å; D100-L111 PolarHBondContact O-N 2.86Å; I102-L111 HydrophobicContact CD1-CD1 4.05Å; I102-L111 HydrophobicContact CG1-CD1 4.08Å; L111-L122 HydrophobicContact CB-CD1 4.31Å; L111-L124 HydrophobicContact CB-CD2 4.01Å; L111-L124 HydrophobicContact CD2-CD2 3.63Å; L111-L124 HydrophobicContact CG-CD2 3.5Å
112D97.6Very high93.2Very high5 Ų556 Ų563%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-111.3113.4-179.4-53.5-59.1000109.7S99 K114 R123S99-D112 WeakPolarHBondContact CB-OD1 3.31Å; S99-D112 PolarHBondContact OG-OD1 3.33Å; D112-K114 HydrophobicContact CB-CD 4.14Å; D112-K114 HydrophobicContact CB-CG 3.8Å; D112-K114 PolarHBondContact O-N 3.41Å; D112-R123 HydrophobicContact CB-CB 4.32Å; D112-R123 PolarHBondContact N-O 2.89Å; D112-R123 PolarHBondContact O-N 3.16Å; D112-R123 IonicContact OD2-CZ 3.35Å; D112-R123 VanDerWaalsContact OD2-CZ 3.28Å; D112-R123 IonicContact OD2-NE 2.78Å; D112-R123 PolarHBondContact OD2-NE 2.77Å; D112-R123 VanDerWaalsContact OD2-NE 3.07Å; D112-R123 IonicContact OD2-NH2 3.64Å; D112-R123 PolarHBondContact OD2-NH2 2.8Å
113L97.9Very high93.3Very high0 Ų057.9 Ų57.90%026%0.264CS..EExtended strand (participates in β ladder)trans-75.1118.6163.2179.863.2000107.8L76 T79 L83 I97 A98 A139 M142L76-L113 HydrophobicContact CD2-CB 4.21Å; T79-L113 HydrophobicContact CG2-CD2 4.49Å; L83-L113 HydrophobicContact CD1-CD2 4.29Å; I97-L113 HydrophobicContact CB-CD2 4.36Å; I97-L113 HydrophobicContact CB-CG 4.23Å; I97-L113 WeakPolarHBondContact CB-O 3.39Å; I97-L113 HydrophobicContact CD1-CG 4.19Å; I97-L113 HydrophobicContact CG2-CD2 4.17Å; I97-L113 PolarHBondContact N-O 3.17Å; A98-L113 HydrophobicContact CB-CB 4.38Å; A98-L113 PolarHBondContact N-O 3.19Å; A98-L113 PolarHBondContact O-N 3.25Å; L113-A139 HydrophobicContact CD1-CB 4.28Å; L113-M142 HydrophobicContact CD1-CE 4.1Å; L113-M142 HydrophobicContact CD1-SD 4.18Å
114K96.6Very high93.5Very high32 Ų3253.9 Ų53.914%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-129.2162-172.8-64.2-160.169.71780112.4D94 G95 R96 D112 R120 F121D94-K114 WeakPolarHBondContact O-CE 3.34Å; D94-K114 PolarHBondContact O-NZ 2.95Å; G95-K114 CarbonylContact O-C 3.5Å; G95-K114 WeakPolarHBondContact O-CA 3.48Å; G95-K114 VanDerWaalsContact O-CB 3.23Å; G95-K114 WeakPolarHBondContact O-CB 3.33Å; G95-K114 WeakPolarHBondContact O-CE 3.29Å; R96-K114 HydrophobicContact CG-CD 4.16Å; R96-K114 HydrophobicContact CG-CG 4.17Å; D112-K114 HydrophobicContact CB-CD 4.14Å; D112-K114 HydrophobicContact CB-CG 3.8Å; D112-K114 PolarHBondContact O-N 3.41Å; K114-R120 CarbonylContact O-C 3.55Å; K114-R120 VanDerWaalsContact O-CA 3.23Å; K114-R120 WeakPolarHBondContact O-CA 3.48Å; K114-F121 HydrophobicContact CB-CD1 4.24Å; K114-F121 HydrophobicContact CB-CE1 3.72Å; K114-F121 HydrophobicContact CB-CE2 4.08Å; K114-F121 HydrophobicContact CB-CZ 3.63Å; K114-F121 HydrophobicContact CD-CE2 4.44Å; K114-F121 HydrophobicContact CD-CZ 4.16Å; K114-F121 HydrophobicContact CG-CZ 4.41Å; K114-F121 PolarHBondContact N-O 2.89Å; K114-F121 PolarHBondContact O-N 2.87Å
115E95.1Very high94Very high27 Ų2750.3 Ų50.313%0.12623%0.226CC..EExtended strand (participates in β ladder)trans-127.9148.9169.756.1-175.5-162.500112L91 G95 I97 G119 R120L91-E115 HydrophobicContact CD2-CB 4.07Å; L91-E115 HydrophobicContact CD2-CG 3.81Å; G95-E115 WeakPolarHBondContact CA-O 3.33Å; G95-E115 PolarHBondContact O-N 2.86Å; I97-E115 HydrophobicContact CD1-CB 3.95Å; I97-E115 HydrophobicContact CD1-CG 3.97Å; I97-E115 HydrophobicContact CG1-CG 4.08Å; E115-G119 WeakPolarHBondContact CA-O 3.48Å; E115-R120 HydrophobicContact CB-CG 3.95Å; E115-R120 IonicContact OE2-NE 3.22Å
116N93Very high95Very high65 Ų6545.5 Ų45.535%0.34820%0.2SC..EExtended strand (participates in β ladder)trans-144.8-174.3169.263.623.9000109H86 R118 G119 F121H86-N116 PolarHBondContact CE1-O 2.8Å; H86-N116 VanDerWaalsContact CE1-O 3.25Å; H86-N116 PolarHBondContact NE2-O 2.97Å; N116-R118 PolarHBondContact O-N 2.86Å; N116-R118 VanDerWaalsContact O-N 3.11Å; N116-R118 WeakPolarHBondContact OD1-CA 3.5Å; N116-R118 WeakPolarHBondContact OD1-CB 3.43Å; N116-R118 PolarHBondContact OD1-N 2.91Å; N116-G119 PolarHBondContact N-O 2.99Å; N116-G119 PolarHBondContact O-N 3.39Å; N116-G119 VanDerWaalsContact O-N 3.11Å; N116-G119 PolarHBondContact OD1-N 2.78Å; N116-G119 PolarHBondContact OD1-O 2.81Å; N116-F121 HydrophobicContact CB-CE1 4.29Å; N116-F121 WeakPolarHBondContact ND2-CE1 3.48Å
117E91.5Very high95.5Very high143 Ų14345.7 Ų45.767%0.66820%0.197SC*.THydrogen-bonded Turntrans-56.6-28.6179.9-62.5176.8174.600114.4R88 L91R88-E117 PolarHBondContact NE-O 3.02Å; L91-E117 HydrophobicContact CD1-CG 4.21Å
118R90.6Very high95.5Very high235 Ų23543.5 Ų43.589%0.88719%0.193SC*.THydrogen-bonded Turntrans-82.1-22.7-178.4-61.6-176.4-179.8-174.9-0.2112.9N116N116-R118 PolarHBondContact O-N 2.86Å; N116-R118 VanDerWaalsContact O-N 3.11Å; N116-R118 WeakPolarHBondContact OD1-CA 3.5Å; N116-R118 WeakPolarHBondContact OD1-CB 3.43Å; N116-R118 PolarHBondContact OD1-N 2.91Å
119G93.4Very high95Very high15 Ų1544.2 Ų44.216%0.15520%0.203CC..EExtended strand (participates in β ladder)trans140.9-162.3-178.400000112.9E115 N116E115-G119 WeakPolarHBondContact CA-O 3.48Å; N116-G119 PolarHBondContact N-O 2.99Å; N116-G119 PolarHBondContact O-N 3.39Å; N116-G119 VanDerWaalsContact O-N 3.11Å; N116-G119 PolarHBondContact OD1-N 2.78Å; N116-G119 PolarHBondContact OD1-O 2.81Å
120R95.6Very high94.3Very high32 Ų3247.4 Ų47.412%0.12124%0.237CC..EExtended strand (participates in β ladder)trans-95.5143.2-179.6-68.2177.4-175.4143.84.7111.7Y80 P84 I97 K114 E115 A139Y80-R120 HydrophobicContact CD2-CB 4.38Å; Y80-R120 HydrophobicContact CE2-CB 4.07Å; P84-R120 PolarHBondContact O-NH1 3.07Å; P84-R120 PolarHBondContact O-NH2 2.79Å; I97-R120 HydrophobicContact CD1-CG 4.01Å; K114-R120 CarbonylContact O-C 3.55Å; K114-R120 VanDerWaalsContact O-CA 3.23Å; K114-R120 WeakPolarHBondContact O-CA 3.48Å; E115-R120 HydrophobicContact CB-CG 3.95Å; E115-R120 IonicContact OE2-NE 3.22Å; R120-A139 HydrophobicContact CB-CB 3.68Å; R120-A139 WeakPolarHBondContact O-CB 3.09Å; R120-A139 PolarHBondContact O-N 2.88Å
121F96.8Very high93.7Very high41 Ų4149 Ų4918%0.1825%0.253CS..EExtended strand (participates in β ladder)trans-150.7148.6179.967-79000111.3K114 N116 R123 A136 I137K114-F121 HydrophobicContact CB-CD1 4.24Å; K114-F121 HydrophobicContact CB-CE1 3.72Å; K114-F121 HydrophobicContact CB-CE2 4.08Å; K114-F121 HydrophobicContact CB-CZ 3.63Å; K114-F121 HydrophobicContact CD-CE2 4.44Å; K114-F121 HydrophobicContact CD-CZ 4.16Å; K114-F121 HydrophobicContact CG-CZ 4.41Å; K114-F121 PolarHBondContact N-O 2.89Å; K114-F121 PolarHBondContact O-N 2.87Å; N116-F121 HydrophobicContact CB-CE1 4.29Å; N116-F121 WeakPolarHBondContact ND2-CE1 3.48Å; F121-R123 HydrophobicContact CD2-CB 4.37Å; F121-R123 HydrophobicContact CE2-CB 4.04Å; F121-A136 HydrophobicContact CD2-CB 3.99Å; F121-A136 HydrophobicContact CE2-CB 4.44Å; F121-I137 CarbonylContact C-O 3.51Å; F121-I137 VanDerWaalsContact CA-O 3.29Å; F121-I137 WeakPolarHBondContact CA-O 3.3Å; F121-I137 WeakPolarHBondContact CB-O 3.25Å
122L97.9Very high93.5Very high0 Ų055.2 Ų55.20%028%0.277CS..EExtended strand (participates in β ladder)trans-87.7117.4167.3-179.963.8000109.1I73 L76 L111 L124 A136 I137 M142I73-L122 HydrophobicContact CG1-CD2 4.03Å; L76-L122 HydrophobicContact CD1-CD1 3.67Å; L111-L122 HydrophobicContact CB-CD1 4.31Å; L122-L124 HydrophobicContact CD1-CD2 4.24Å; L122-L124 HydrophobicContact CD2-CD2 3.84Å; L122-L124 HydrophobicContact CD2-CG 4.14Å; L122-L124 HydrophobicContact CG-CD2 3.9Å; L122-L124 HydrophobicContact CG-CG 4.13Å; L122-A136 WeakPolarHBondContact O-CA 3.23Å; L122-I137 PolarHBondContact N-O 3.48Å; L122-I137 PolarHBondContact O-N 2.87Å; L122-M142 HydrophobicContact CB-CG 4Å; L122-M142 HydrophobicContact CB-SD 3.81Å; L122-M142 HydrophobicContact CD2-CG 4.06Å; L122-M142 HydrophobicContact CD2-SD 4.07Å; L122-M142 HydrophobicContact CG-SD 4.36Å
123R97.7Very high93.3Very high41 Ų4157.2 Ų57.216%0.15529%0.289CS..EExtended strand (participates in β ladder)trans-89.8116.4166.9-175.5177.871.2175.20.3108.7D112 F121D112-R123 HydrophobicContact CB-CB 4.32Å; D112-R123 PolarHBondContact N-O 2.89Å; D112-R123 PolarHBondContact O-N 3.16Å; D112-R123 IonicContact OD2-CZ 3.35Å; D112-R123 VanDerWaalsContact OD2-CZ 3.28Å; D112-R123 IonicContact OD2-NE 2.78Å; D112-R123 PolarHBondContact OD2-NE 2.77Å; D112-R123 VanDerWaalsContact OD2-NE 3.07Å; D112-R123 IonicContact OD2-NH2 3.64Å; D112-R123 PolarHBondContact OD2-NH2 2.8Å; F121-R123 HydrophobicContact CD2-CB 4.37Å; F121-R123 HydrophobicContact CE2-CB 4.04Å
124L97.8Very high93.3Very high2 Ų261.6 Ų61.61%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-99.2121.4167.1-61.4-178000107.8I59 M69 Y110 L111 L122 Q134 I135 I137 L145I59-L124 HydrophobicContact CD1-CB 3.73Å; I59-L124 VanDerWaalsContact CD1-O 3.3Å; I59-L124 WeakPolarHBondContact CD1-O 3.03Å; M69-L124 HydrophobicContact SD-CD1 4.08Å; Y110-L124 WeakPolarHBondContact O-CA 3.44Å; L111-L124 HydrophobicContact CB-CD2 4.01Å; L111-L124 HydrophobicContact CD2-CD2 3.63Å; L111-L124 HydrophobicContact CG-CD2 3.5Å; L122-L124 HydrophobicContact CD1-CD2 4.24Å; L122-L124 HydrophobicContact CD2-CD2 3.84Å; L122-L124 HydrophobicContact CD2-CG 4.14Å; L122-L124 HydrophobicContact CG-CD2 3.9Å; L122-L124 HydrophobicContact CG-CG 4.13Å; L124-Q134 CarbonylContact O-C 3.53Å; L124-Q134 WeakPolarHBondContact O-CA 3.42Å; L124-Q134 WeakPolarHBondContact O-CB 3.41Å; L124-I135 HydrophobicContact CB-CD1 4.43Å; L124-I135 HydrophobicContact CB-CG1 3.82Å; L124-I135 HydrophobicContact CD1-CD1 4.19Å; L124-I135 HydrophobicContact CD1-CG1 4.4Å; L124-I135 PolarHBondContact N-O 3.42Å; L124-I135 PolarHBondContact O-N 3.05Å; L124-I137 HydrophobicContact CB-CD1 4.41Å; L124-I137 HydrophobicContact CD1-CD1 3.6Å; L124-I137 HydrophobicContact CG-CD1 3.75Å; L124-L145 HydrophobicContact CD1-CD2 4.16Å
125A97.4Very high93.3Very high2 Ų260.1 Ų60.12%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-126.1129.8176.900000110.8Y109 Y110 V133 Q134Y109-A125 CarbonylContact C-O 3.5Å; Y109-A125 VanDerWaalsContact CA-O 3.29Å; Y109-A125 WeakPolarHBondContact CA-O 3.32Å; Y110-A125 PolarHBondContact N-O 2.8Å; Y110-A125 PolarHBondContact O-N 2.91Å; A125-V133 CarbonylContact C-O 3.48Å; A125-V133 VanDerWaalsContact CA-O 3.31Å; A125-V133 WeakPolarHBondContact CA-O 3.38Å; A125-Q134 HydrophobicContact CB-CB 3.89Å
126M95.7Very high93.3Very high16 Ų1660 Ų608%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-105.4127.6173.1178.3-174.865.400109.4I59 R108 Y109 R132 V133I59-M126 HydrophobicContact CG1-CB 4.39Å; I59-M126 HydrophobicContact CG2-CB 4.04Å; I59-M126 HydrophobicContact CG2-SD 4.35Å; R108-M126 CarbonylContact O-C 3.51Å; R108-M126 WeakPolarHBondContact O-CA 3.4Å; Y109-M126 HydrophobicContact CD1-CB 3.92Å; Y109-M126 HydrophobicContact CD1-CG 3.94Å; Y109-M126 HydrophobicContact CE1-CB 4.02Å; Y109-M126 HydrophobicContact CE1-CG 3.61Å; Y109-M126 HydrophobicContact CE1-SD 3.67Å; M126-R132 WeakPolarHBondContact O-CA 3.39Å; M126-V133 HydrophobicContact CB-CG2 3.96Å; M126-V133 HydrophobicContact CE-CG2 3.42Å; M126-V133 VanDerWaalsContact CE-CG2 3.42Å; M126-V133 PolarHBondContact N-O 3.05Å; M126-V133 PolarHBondContact O-N 2.96Å
127L93Very high93.5Very high51 Ų5156.9 Ų56.927%0.26729%0.289SS..EExtended strand (participates in β ladder)trans-108118.8168.3-179.266.2000108.5R107 R108 Y110 V131 R132R107-L127 WeakPolarHBondContact CA-O 3.3Å; R108-L127 HydrophobicContact CB-CB 4.43Å; R108-L127 PolarHBondContact N-O 2.97Å; R108-L127 PolarHBondContact O-N 2.81Å; Y110-L127 HydrophobicContact CE2-CB 4.25Å; L127-V131 WeakPolarHBondContact CA-O 3.17Å; L127-R132 HydrophobicContact CD1-CB 4.09Å
128S87.5Confident93.7Very high28 Ų2850.5 Ų50.520%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-140.3123.8178.5177.10000109.3G130 V131S128-G130 VanDerWaalsContact C-N 3.25Å; S128-G130 PolarHBondContact O-N 3.17Å; S128-V131 PolarHBondContact N-O 2.83Å; S128-V131 PolarHBondContact O-N 3.39Å
129M85.1Confident94Very high126 Ų12639.4 Ų39.462%0.62122%0.219SC*.THydrogen-bonded Turntrans50.842177.8-57.5-59.7-67.600113.7V131M129-V131 PolarHBondContact O-N 3.05Å
130G83.7Confident94Very high72 Ų7242.9 Ų42.974%0.74223%0.231SC*.THydrogen-bonded Turntrans78.9-13.4-178.500000115.1S128S128-G130 VanDerWaalsContact C-N 3.25Å; S128-G130 PolarHBondContact O-N 3.17Å
131V86.2Confident94.1Very high95 Ų9541.3 Ų41.358%0.57623%0.225SC*.EExtended strand (participates in β ladder)trans-87.3122.7176.5-177.20000109.5L127 S128 M129 V133L127-V131 WeakPolarHBondContact CA-O 3.17Å; S128-V131 PolarHBondContact N-O 2.83Å; S128-V131 PolarHBondContact O-N 3.39Å; M129-V131 PolarHBondContact O-N 3.05Å; V131-V133 HydrophobicContact CG1-CG1 4.26Å
132R93.3Very high94.1Very high132 Ų13239.4 Ų39.450%0.49822%0.217SC..EExtended strand (participates in β ladder)trans-103.4124.3173.4-170.9177.7-177.9166.25.7110.2M126 L127M126-R132 WeakPolarHBondContact O-CA 3.39Å; L127-R132 HydrophobicContact CD1-CB 4.09Å
133V94.5Very high94Very high46 Ų4642.3 Ų42.328%0.27923%0.232SC..EExtended strand (participates in β ladder)trans-122.2151.9170.9-63.40000109.3R58 I59 A125 M126 V131R58-V133 VanDerWaalsContact O-CG2 3.3Å; R58-V133 WeakPolarHBondContact O-CG2 3.48Å; I59-V133 HydrophobicContact CG1-CG2 4.37Å; A125-V133 CarbonylContact C-O 3.48Å; A125-V133 VanDerWaalsContact CA-O 3.31Å; A125-V133 WeakPolarHBondContact CA-O 3.38Å; M126-V133 HydrophobicContact CB-CG2 3.96Å; M126-V133 HydrophobicContact CE-CG2 3.42Å; M126-V133 VanDerWaalsContact CE-CG2 3.42Å; M126-V133 PolarHBondContact N-O 3.05Å; M126-V133 PolarHBondContact O-N 2.96Å; V131-V133 HydrophobicContact CG1-CG1 4.26Å
134Q96.6Very high94Very high93 Ų9344.8 Ų44.844%0.43525%0.245SC..EExtended strand (participates in β ladder)trans-148153.1-178.767.1-17720.500112.3S57 L124 A125S57-Q134 VanDerWaalsContact CB-O 3.32Å; S57-Q134 WeakPolarHBondContact CB-O 3.32Å; L124-Q134 CarbonylContact O-C 3.53Å; L124-Q134 WeakPolarHBondContact O-CA 3.42Å; L124-Q134 WeakPolarHBondContact O-CB 3.41Å; A125-Q134 HydrophobicContact CB-CB 3.89Å
135I96.8Very high93.9Very high1 Ų144.7 Ų44.71%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-127.3155.9167.663.6178.1000109.2I47 E49 I59 L124 I137I47-I135 HydrophobicContact CB-CD1 4.04Å; I47-I135 HydrophobicContact CG2-CD1 3.45Å; I47-I135 VanDerWaalsContact CG2-CD1 3.45Å; E49-I135 HydrophobicContact CB-CB 3.91Å; E49-I135 HydrophobicContact CB-CG2 3.58Å; E49-I135 WeakPolarHBondContact OE2-CA 3.46Å; E49-I135 VanDerWaalsContact OE2-CB 3.25Å; E49-I135 WeakPolarHBondContact OE2-CB 3.44Å; I59-I135 HydrophobicContact CD1-CD1 4.15Å; I59-I135 HydrophobicContact CD1-CG1 3.74Å; I59-I135 HydrophobicContact CG1-CG1 4.37Å; I59-I135 HydrophobicContact CG1-CG2 4.37Å; L124-I135 HydrophobicContact CB-CD1 4.43Å; L124-I135 HydrophobicContact CB-CG1 3.82Å; L124-I135 HydrophobicContact CD1-CD1 4.19Å; L124-I135 HydrophobicContact CD1-CG1 4.4Å; L124-I135 PolarHBondContact N-O 3.42Å; L124-I135 PolarHBondContact O-N 3.05Å; I135-I137 HydrophobicContact CD1-CD1 3.95Å; I135-I137 HydrophobicContact CG1-CD1 3.86Å
136A96.1Very high93.9Very high23 Ų2348 Ų4819%0.1926%0.257CS..EExtended strand (participates in β ladder)trans-130.1111.7-178.500000111.1K30 E49 F121 L122K30-A136 PolarHBondContact NZ-O 2.88Å; E49-A136 PolarHBondContact OE2-N 3.4Å; F121-A136 HydrophobicContact CD2-CB 3.99Å; F121-A136 HydrophobicContact CE2-CB 4.44Å; L122-A136 WeakPolarHBondContact O-CA 3.23Å
137I96.4Very high93.9Very high0 Ų050.2 Ų50.20%027%0.269CS..EExtended strand (participates in β ladder)trans-101.6124.1-177.6-54.397000108.9I27 F32 F121 L122 L124 I135 A139 L145I27-I137 HydrophobicContact CD1-CG2 3.79Å; F32-I137 HydrophobicContact CD1-CG1 4.3Å; F32-I137 HydrophobicContact CE1-CG1 3.69Å; F32-I137 HydrophobicContact CZ-CB 4.31Å; F32-I137 HydrophobicContact CZ-CG1 3.88Å; F32-I137 HydrophobicContact CZ-CG2 4.47Å; F121-I137 CarbonylContact C-O 3.51Å; F121-I137 VanDerWaalsContact CA-O 3.29Å; F121-I137 WeakPolarHBondContact CA-O 3.3Å; F121-I137 WeakPolarHBondContact CB-O 3.25Å; L122-I137 PolarHBondContact N-O 3.48Å; L122-I137 PolarHBondContact O-N 2.87Å; L124-I137 HydrophobicContact CB-CD1 4.41Å; L124-I137 HydrophobicContact CD1-CD1 3.6Å; L124-I137 HydrophobicContact CG-CD1 3.75Å; I135-I137 HydrophobicContact CD1-CD1 3.95Å; I135-I137 HydrophobicContact CG1-CD1 3.86Å; I137-A139 PolarHBondContact O-N 3.45Å; I137-L145 HydrophobicContact CD1-CD2 4.05Å; I137-L145 HydrophobicContact CG1-CD2 4.06Å
138P96.2Very high94Very high9 Ų947.8 Ų47.86%0.05826%0.256CS..EExtended strand (participates in β ladder)trans-53.5138.6172-26.635.8000111.7I27 Q28 Q140 G141I27-P138 HydrophobicContact CG2-CB 3.85Å; I27-P138 HydrophobicContact CG2-CG 3.79Å; Q28-P138 HydrophobicContact CG-CB 4.35Å; Q28-P138 HydrophobicContact CG-CG 4.22Å; Q28-P138 VanDerWaalsContact OE1-CG 3.31Å; P138-Q140 VanDerWaalsContact C-N 3.27Å; P138-Q140 VanDerWaalsContact CB-NE2 3.32Å; P138-Q140 PolarHBondContact O-N 3Å; P138-G141 PolarHBondContact O-N 3.05Å
139A96.7Very high94.3Very high2 Ų246.4 Ų46.42%0.01725%0.247CC..G310 helixtrans-58.8-36.4-168.900000113.2Y80 L113 R120 I137 G141 M142Y80-A139 HydrophobicContact CD1-CB 4.42Å; Y80-A139 HydrophobicContact CD2-CB 3.68Å; Y80-A139 HydrophobicContact CE1-CB 4.24Å; Y80-A139 HydrophobicContact CE2-CB 3.46Å; Y80-A139 VanDerWaalsContact CE2-CB 3.46Å; Y80-A139 HydrophobicContact CG-CB 4.17Å; L113-A139 HydrophobicContact CD1-CB 4.28Å; R120-A139 HydrophobicContact CB-CB 3.68Å; R120-A139 WeakPolarHBondContact O-CB 3.09Å; R120-A139 PolarHBondContact O-N 2.88Å; I137-A139 PolarHBondContact O-N 3.45Å; A139-G141 PolarHBondContact O-N 3.31Å; A139-G141 VanDerWaalsContact O-N 3.16Å; A139-M142 HydrophobicContact CB-CE 4.05Å; A139-M142 WeakPolarHBondContact O-CB 3.44Å; A139-M142 WeakPolarHBondContact O-CE 3.35Å; A139-M142 VanDerWaalsContact O-CG 3.27Å; A139-M142 WeakPolarHBondContact O-CG 3.42Å; A139-M142 PolarHBondContact O-N 3.02Å; A139-M142 VanDerWaalsContact O-N 3.12Å
140Q94.2Very high94.8Very high88 Ų8842.2 Ų42.241%0.41123%0.228SC..G310 helixtrans-63.7-20.2176.770.5-80.93.400114.1P138P138-Q140 VanDerWaalsContact C-N 3.27Å; P138-Q140 VanDerWaalsContact CB-NE2 3.32Å; P138-Q140 PolarHBondContact O-N 3Å
141G96.4Very high95.2Very high0 Ų042.9 Ų42.90%022%0.215CC..G310 helixtrans-91.43.3177.200000114.4P138 A139 I143 E144 L145P138-G141 PolarHBondContact O-N 3.05Å; A139-G141 PolarHBondContact O-N 3.31Å; A139-G141 VanDerWaalsContact O-N 3.16Å; G141-I143 VanDerWaalsContact C-N 3.35Å; G141-I143 PolarHBondContact O-N 3.38Å; G141-E144 PolarHBondContact O-N 3.01Å; G141-L145 WeakPolarHBondContact O-CB 3.32Å; G141-L145 PolarHBondContact O-N 2.77Å
142M97.3Very high95.4Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-62.3-40.3179.8-72.6-171.9-62.200112.4I73 Y80 L113 L122 A139 L145 R146I73-M142 HydrophobicContact CG2-CB 4.13Å; I73-M142 WeakPolarHBondContact CG2-O 3.46Å; Y80-M142 HydrophobicContact CD1-CE 3.84Å; Y80-M142 HydrophobicContact CG-CE 3.71Å; L113-M142 HydrophobicContact CD1-CE 4.1Å; L113-M142 HydrophobicContact CD1-SD 4.18Å; L122-M142 HydrophobicContact CB-CG 4Å; L122-M142 HydrophobicContact CB-SD 3.81Å; L122-M142 HydrophobicContact CD2-CG 4.06Å; L122-M142 HydrophobicContact CD2-SD 4.07Å; L122-M142 HydrophobicContact CG-SD 4.36Å; A139-M142 HydrophobicContact CB-CE 4.05Å; A139-M142 WeakPolarHBondContact O-CB 3.44Å; A139-M142 WeakPolarHBondContact O-CE 3.35Å; A139-M142 VanDerWaalsContact O-CG 3.27Å; A139-M142 WeakPolarHBondContact O-CG 3.42Å; A139-M142 PolarHBondContact O-N 3.02Å; A139-M142 VanDerWaalsContact O-N 3.12Å; M142-L145 PolarHBondContact O-N 3.25Å; M142-R146 WeakPolarHBondContact O-CB 3.49Å; M142-R146 PolarHBondContact O-N 2.84Å
143I96.3Very high95.2Very high62 Ų6233.1 Ų33.132%0.31817%0.169SC..Hα-helixtrans-67.3-42.1177.8-65.4-60.8000111.4S77 G141 L145 R146 N147S77-I143 WeakPolarHBondContact OG-CD1 3.28Å; S77-I143 WeakPolarHBondContact OG-CG1 3.42Å; G141-I143 VanDerWaalsContact C-N 3.35Å; G141-I143 PolarHBondContact O-N 3.38Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 2.86Å; I143-R146 PolarHBondContact O-N 3.36Å; I143-N147 WeakPolarHBondContact O-CB 3.35Å; I143-N147 VanDerWaalsContact O-CG 3.25Å; I143-N147 PolarHBondContact O-N 3.37Å
144E96.7Very high94.8Very high92 Ų9238.2 Ų38.243%0.4319%0.19SC..Hα-helixtrans-60.4-43.4174.8-69.7179.4-133.900111.5G141 N147 A148G141-E144 PolarHBondContact O-N 3.01Å; E144-N147 PolarHBondContact O-N 3.03Å; E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.29Å; E144-A148 PolarHBondContact O-N 2.82Å
145L96.4Very high94.1Very high1 Ų136.4 Ų36.41%0.00520%0.197CC..Hα-helixtrans-60.9-45.7175.1-179.568.4000111.7L25 L34 I73 L124 I137 G141 M142 I143 A148 L149L25-L145 HydrophobicContact CD1-CB 4.42Å; L25-L145 HydrophobicContact CD1-CD1 4.22Å; L34-L145 HydrophobicContact CD1-CD1 4.09Å; L34-L145 HydrophobicContact CD2-CD1 3.88Å; L34-L145 HydrophobicContact CG-CD1 4.38Å; I73-L145 HydrophobicContact CD1-CD2 3.85Å; I73-L145 HydrophobicContact CD1-CG 4.28Å; L124-L145 HydrophobicContact CD1-CD2 4.16Å; I137-L145 HydrophobicContact CD1-CD2 4.05Å; I137-L145 HydrophobicContact CG1-CD2 4.06Å; G141-L145 WeakPolarHBondContact O-CB 3.32Å; G141-L145 PolarHBondContact O-N 2.77Å; M142-L145 PolarHBondContact O-N 3.25Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 2.86Å; L145-A148 PolarHBondContact O-N 3.45Å; L145-L149 HydrophobicContact CG-CD1 4.41Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.44Å
146R96.2Very high93.3Very high71 Ų7139.5 Ų39.527%0.26821%0.209SC..Hα-helixtrans-60.8-45.7178-177.2-92.6-84.8-179.5-13.8111.6K70 I73 N74 M142 I143 L149 T150K70-R146 HydrophobicContact CG-CG 3.74Å; I73-R146 HydrophobicContact CG2-CB 3.91Å; N74-R146 PolarHBondContact OD1-NE 2.93Å; N74-R146 PolarHBondContact OD1-NH2 2.83Å; M142-R146 WeakPolarHBondContact O-CB 3.49Å; M142-R146 PolarHBondContact O-N 2.84Å; I143-R146 PolarHBondContact O-N 3.36Å; R146-L149 PolarHBondContact O-N 2.79Å; R146-T150 PolarHBondContact O-N 3.06Å; R146-T150 PolarHBondContact O-OG1 3.48Å
147N96Very high92Very high62 Ų6240.7 Ų40.733%0.33222%0.215SC..Hα-helixtrans-65.8-42.8178.7-68.6-12.5000110.8I143 E144 L149 T150 D151I143-N147 WeakPolarHBondContact O-CB 3.35Å; I143-N147 VanDerWaalsContact O-CG 3.25Å; I143-N147 PolarHBondContact O-N 3.37Å; E144-N147 PolarHBondContact O-N 3.03Å; N147-L149 PolarHBondContact O-N 3.14Å; N147-T150 WeakPolarHBondContact O-CB 3.48Å; N147-T150 PolarHBondContact O-N 3.38Å; N147-T150 VanDerWaalsContact O-N 3.11Å; N147-D151 PolarHBondContact O-N 2.93Å
148A95.5Very high90Very high0 Ų043.8 Ų43.80%025%0.248CC..Hα-helixtrans-60.7-41.9175.600000113.1K23 L25 L34 E144 L145 L152K23-A148 HydrophobicContact CD-CB 3.79Å; K23-A148 HydrophobicContact CG-CB 4.39Å; L25-A148 HydrophobicContact CD1-CB 3.79Å; L25-A148 HydrophobicContact CD2-CB 4.05Å; L25-A148 HydrophobicContact CG-CB 4.23Å; L34-A148 HydrophobicContact CD2-CB 3.87Å; E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.29Å; E144-A148 PolarHBondContact O-N 2.82Å; L145-A148 PolarHBondContact O-N 3.45Å; A148-L152 WeakPolarHBondContact O-CB 3.4Å; A148-L152 VanDerWaalsContact O-CG 3.29Å; A148-L152 WeakPolarHBondContact O-CG 3.23Å; A148-L152 PolarHBondContact O-N 3.4Å; A148-L152 VanDerWaalsContact O-N 3.14Å
149L94.7Very high87.9Confident0 Ų047.5 Ų47.50%027%0.267CS..Hα-helixtrans-62.3-43.3171.8-75.6170.9000111.3L34 V45 I47 M69 I73 L145 R146 N147 L152 I153L34-L149 HydrophobicContact CD2-CD2 3.79Å; L34-L149 HydrophobicContact CD2-CG 3.84Å; V45-L149 HydrophobicContact CG1-CD2 3.99Å; I47-L149 HydrophobicContact CD1-CD2 4.26Å; M69-L149 HydrophobicContact CG-CD1 4.38Å; I73-L149 HydrophobicContact CD1-CD1 3.86Å; L145-L149 HydrophobicContact CG-CD1 4.41Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.44Å; R146-L149 PolarHBondContact O-N 2.79Å; N147-L149 PolarHBondContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 3.46Å; L149-I153 HydrophobicContact CB-CD1 4.21Å; L149-I153 WeakPolarHBondContact O-CB 3.39Å; L149-I153 VanDerWaalsContact O-CD1 3.28Å; L149-I153 WeakPolarHBondContact O-CD1 3.42Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.39Å
150T93.7Very high85.8Confident37 Ų3751.4 Ų51.423%0.22729%0.286CS..Hα-helixtrans-59-52.5179.5-53.80000111.4K70 R146 N147 L152 I153 Q154K70-T150 HydrophobicContact CD-CG2 4.36Å; K70-T150 WeakPolarHBondContact CD-OG1 3.3Å; R146-T150 PolarHBondContact O-N 3.06Å; R146-T150 PolarHBondContact O-OG1 3.48Å; N147-T150 WeakPolarHBondContact O-CB 3.48Å; N147-T150 PolarHBondContact O-N 3.38Å; N147-T150 VanDerWaalsContact O-N 3.11Å; T150-L152 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 3.02Å; T150-I153 PolarHBondContact O-N 3.22Å; T150-Q154 WeakPolarHBondContact O-CB 3.46Å; T150-Q154 PolarHBondContact O-N 3.11Å
151D92.2Very high83.5Confident86 Ų8655.6 Ų55.646%0.4631%0.305SS..Hα-helixtrans-61-43.8-178.2-60.4-16.2000111.5K23 N147K23-D151 IonicContact NZ-OD2 2.69Å; K23-D151 PolarHBondContact NZ-OD2 3.19Å; N147-D151 PolarHBondContact O-N 2.93Å
152L90.9Very high81.1Confident14 Ų1461.6 Ų61.67%0.07334%0.337CS..Hα-helixtrans-69.2-35.8178.7-74.2175.7000112.3A21 K23 L34 I36 A148 L149 T150 Y156A21-L152 HydrophobicContact CB-CD2 3.68Å; K23-L152 HydrophobicContact CB-CD1 3.89Å; K23-L152 HydrophobicContact CB-CD2 4.21Å; K23-L152 HydrophobicContact CB-CG 4.18Å; L34-L152 HydrophobicContact CB-CD1 3.45Å; L34-L152 VanDerWaalsContact CB-CD1 3.45Å; L34-L152 HydrophobicContact CD2-CD1 4.28Å; L34-L152 WeakPolarHBondContact O-CD1 3.48Å; I36-L152 HydrophobicContact CD1-CB 4.01Å; I36-L152 HydrophobicContact CG1-CB 3.89Å; I36-L152 HydrophobicContact CG1-CD2 4.23Å; I36-L152 HydrophobicContact CG1-CG 4.48Å; A148-L152 WeakPolarHBondContact O-CB 3.4Å; A148-L152 VanDerWaalsContact O-CG 3.29Å; A148-L152 WeakPolarHBondContact O-CG 3.23Å; A148-L152 PolarHBondContact O-N 3.4Å; A148-L152 VanDerWaalsContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 3.46Å; T150-L152 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 3.02Å; L152-Y156 VanDerWaalsContact O-CD2 3.26Å; L152-Y156 WeakPolarHBondContact O-CD2 3.4Å
153I88.6Confident79Confident8 Ų862.8 Ų62.84%0.04134%0.344CS..Hα-helixtrans-75.3-42.8-178.8-70.5165.7000110.1M63 A66 L67 L149 T150 G155 Y156 S157M63-I153 HydrophobicContact CE-CB 4.4Å; M63-I153 HydrophobicContact CE-CG1 4.25Å; M63-I153 HydrophobicContact CE-CG2 4.22Å; A66-I153 HydrophobicContact CB-CD1 3.59Å; A66-I153 HydrophobicContact CB-CG1 4.24Å; L67-I153 HydrophobicContact CD1-CG2 4.5Å; L149-I153 HydrophobicContact CB-CD1 4.21Å; L149-I153 WeakPolarHBondContact O-CB 3.39Å; L149-I153 VanDerWaalsContact O-CD1 3.28Å; L149-I153 WeakPolarHBondContact O-CD1 3.42Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.39Å; T150-I153 PolarHBondContact O-N 3.22Å; I153-G155 VanDerWaalsContact C-N 3.26Å; I153-G155 PolarHBondContact O-N 3.11Å; I153-Y156 PolarHBondContact O-N 2.95Å; I153-S157 WeakPolarHBondContact CG2-OG 3.22Å; I153-S157 WeakPolarHBondContact O-CB 3.18Å; I153-S157 PolarHBondContact O-N 3.46Å; I153-S157 PolarHBondContact O-OG 2.87Å
154Q87Confident76.8Confident153 Ų15366.2 Ų66.272%0.71536%0.362SS*.Hα-helixtrans-58.2-37.4-177-172.4173.115.800112.6T150 Y156T150-Q154 WeakPolarHBondContact O-CB 3.46Å; T150-Q154 PolarHBondContact O-N 3.11Å; Q154-Y156 VanDerWaalsContact C-N 3.3Å; Q154-Y156 PolarHBondContact O-N 3.19Å
155G81.3Confident74.7Confident56 Ų5665.8 Ų65.858%0.57736%0.358SS*.THydrogen-bonded Turntrans-72.4-16.6177.900000115.3I153I153-G155 VanDerWaalsContact C-N 3.26Å; I153-G155 PolarHBondContact O-N 3.11Å
156Y81.3Confident72.8Confident66 Ų6668 Ų6826%0.25937%0.374SS..THydrogen-bonded Turntrans-131.52.4-169.3-65.4-85.7000114.6L20 A21 I36 R43 L152 I153 Q154L20-Y156 HydrophobicContact CB-CD1 4.01Å; L20-Y156 HydrophobicContact CB-CE1 3.55Å; L20-Y156 HydrophobicContact CD1-CD1 3.84Å; L20-Y156 HydrophobicContact CD1-CE1 4.11Å; L20-Y156 HydrophobicContact CG-CE1 4.37Å; L20-Y156 PolarHBondContact O-OH 3.03Å; A21-Y156 HydrophobicContact CB-CD2 4.38Å; A21-Y156 HydrophobicContact CB-CE2 3.44Å; A21-Y156 VanDerWaalsContact CB-CE2 3.44Å; I36-Y156 HydrophobicContact CG1-CD2 4.28Å; I36-Y156 HydrophobicContact CG2-CD1 4.4Å; I36-Y156 HydrophobicContact CG2-CD2 4.4Å; I36-Y156 HydrophobicContact CG2-CG 4.05Å; R43-Y156 PolarHBondContact NH1-O 2.75Å; L152-Y156 VanDerWaalsContact O-CD2 3.26Å; L152-Y156 WeakPolarHBondContact O-CD2 3.4Å; I153-Y156 PolarHBondContact O-N 2.95Å; Q154-Y156 VanDerWaalsContact C-N 3.3Å; Q154-Y156 PolarHBondContact O-N 3.19Å
157S67.9Low71.2Confident47 Ų4772 Ų7233%0.32940%0.401SS..SBendtrans-81.5-15.3176.2-58.30000113.6I153 M160I153-S157 WeakPolarHBondContact CG2-OG 3.22Å; I153-S157 WeakPolarHBondContact O-CB 3.18Å; I153-S157 PolarHBondContact O-N 3.46Å; I153-S157 PolarHBondContact O-OG 2.87Å; S157-M160 WeakPolarHBondContact O-CG 3.44Å
158G54.7Low70.2Confident66 Ų6671.3 Ų71.368%0.6840%0.397SS*.THydrogen-bonded Turntrans-76.6-31.5-173.200000114.9M160G158-M160 PolarHBondContact O-N 3.2Å; G158-M160 VanDerWaalsContact O-N 3.13Å
159D51.9Low69.6Low87 Ų8775.5 Ų75.547%0.46542%0.424SS..THydrogen-bonded Turntrans-88.932.7-177.9-40.4-51.2000112.6R43 E161 N162R43-D159 IonicContact CZ-OD2 2.7Å; R43-D159 VanDerWaalsContact CZ-OD2 3.22Å; R43-D159 IonicContact NH1-OD2 2.59Å; R43-D159 PolarHBondContact NH1-OD2 3.19Å; R43-D159 IonicContact NH2-OD2 2.82Å; R43-D159 PolarHBondContact NH2-OD2 3.05Å; D159-E161 PolarHBondContact O-N 3.13Å; D159-N162 PolarHBondContact O-N 3.13Å
160M52.5Low68.8Low83 Ų8384 Ų8441%0.40946%0.463SS..G310 helixtrans-60.5-10.5176.7-75-99.9-69.600112.9S157 G158 N162 D163S157-M160 WeakPolarHBondContact O-CG 3.44Å; G158-M160 PolarHBondContact O-N 3.2Å; G158-M160 VanDerWaalsContact O-N 3.13Å; M160-N162 PolarHBondContact O-N 2.87Å; M160-D163 WeakPolarHBondContact O-CA 3.48Å; M160-D163 WeakPolarHBondContact O-CB 3.39Å; M160-D163 PolarHBondContact O-N 2.69Å
161E46.3Very low68.4Low176 Ų17685 Ų8582%0.82247%0.473SS*.G310 helixtrans-60.8-22.4172.2-64.9-168.9167.300113.1D159 I164D159-E161 PolarHBondContact O-N 3.13Å; E161-I164 VanDerWaalsContact O-CG1 3.3Å; E161-I164 WeakPolarHBondContact O-CG1 3.29Å
162N46.5Very low68.3Low126 Ų12688.4 Ų88.467%0.67448%0.483SS*.G310 helixtrans-87.7-6.6172-74.2-60.7000113.8D159 M160 I164D159-N162 PolarHBondContact O-N 3.13Å; M160-N162 PolarHBondContact O-N 2.87Å; N162-I164 VanDerWaalsContact C-N 3.27Å; N162-I164 PolarHBondContact O-N 2.91Å
163D52.6Low68.3Low26 Ų2690.9 Ų90.914%0.13950%0.498CS..  trans-9549.6171.9-101.2-3.4000109.1G42 M160 F165 S166G42-D163 WeakPolarHBondContact CA-OD1 3.41Å; M160-D163 WeakPolarHBondContact O-CA 3.48Å; M160-D163 WeakPolarHBondContact O-CB 3.39Å; M160-D163 PolarHBondContact O-N 2.69Å; D163-F165 PolarHBondContact O-N 2.83Å; D163-S166 WeakPolarHBondContact O-CB 3.44Å; D163-S166 PolarHBondContact O-N 2.84Å; D163-S166 PolarHBondContact O-OG 2.81Å
164I49.6Very low68.5Low134 Ų13494.7 Ų94.769%0.68752%0.518SS*.THydrogen-bonded Turntrans-51.9-19.5175.5-56.4175.2000111.4E161 N162E161-I164 VanDerWaalsContact O-CG1 3.3Å; E161-I164 WeakPolarHBondContact O-CG1 3.29Å; N162-I164 VanDerWaalsContact C-N 3.27Å; N162-I164 PolarHBondContact O-N 2.91Å
165F52.3Low68.9Low82 Ų8294.7 Ų94.736%0.3652%0.517SS..THydrogen-bonded Turntrans-101.214.6177.7-49.1-65.1000115D163 L168 S187 V192D163-F165 PolarHBondContact O-N 2.83Å; F165-L168 HydrophobicContact CB-CD1 4.44Å; F165-L168 WeakPolarHBondContact O-CD1 2.99Å; F165-L168 VanDerWaalsContact O-CG 3.3Å; F165-L168 WeakPolarHBondContact O-CG 3.46Å; F165-S187 WeakPolarHBondContact CB-OG 3.47Å; F165-S187 VanDerWaalsContact CG-CB 3.43Å; F165-V192 HydrophobicContact CD1-CG2 3.45Å; F165-V192 VanDerWaalsContact CD1-CG2 3.45Å; F165-V192 HydrophobicContact CE1-CG2 3.5Å; F165-V192 VanDerWaalsContact CE1-CG2 3.5Å
166S56.5Low69.4Low49 Ų4995.5 Ų95.534%0.34351%0.51SS..SBendtrans-83.6-27.7176.259.70000113.1D163 L168D163-S166 WeakPolarHBondContact O-CB 3.44Å; D163-S166 PolarHBondContact O-N 2.84Å; D163-S166 PolarHBondContact O-OG 2.81Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 2.88Å
167D64Low70Confident155 Ų15596.6 Ų96.683%0.82954%0.541SS*.SBendtrans-90.942.7174.6-81.2-17.7000112.5
168L74Confident71.2Confident47 Ų4799.3 Ų99.325%0.24655%0.552CS.*PPolyproline II helixtrans-72.1143.2172.7-67.2176.2000110.5F165 S166 V185 V192F165-L168 HydrophobicContact CB-CD1 4.44Å; F165-L168 WeakPolarHBondContact O-CD1 2.99Å; F165-L168 VanDerWaalsContact O-CG 3.3Å; F165-L168 WeakPolarHBondContact O-CG 3.46Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 2.88Å; L168-V185 HydrophobicContact CB-CB 4.3Å; L168-V185 HydrophobicContact CB-CG1 4.18Å; L168-V185 HydrophobicContact CD1-CG1 4.33Å; L168-V185 HydrophobicContact CD2-CG1 3.84Å; L168-V185 HydrophobicContact CG-CG1 4.32Å; L168-V192 HydrophobicContact CD2-CG1 3.69Å; L168-V192 HydrophobicContact CD2-CG2 3.97Å
169P83.3Confident73Confident87 Ų8799.2 Ų99.257%0.56553%0.533SS*.PPolyproline II helixtrans-53.7145179.1-26.833.4000113.5V185P169-V185 HydrophobicContact CB-CG2 4.07Å; P169-V185 HydrophobicContact CG-CG2 4.17Å
170E78.6Confident75Confident178 Ų17896.4 Ų96.483%0.83252%0.519SS*.PPolyproline II helixtrans-59.3140.8177.4-168.3-179.7-179.700111.7
171S84.8Confident77.1Confident60 Ų6094.7 Ų94.742%0.4251%0.509SS..PPolyproline II helixtrans-62.3139.8178.260.80000111.9F183S171-F183 CarbonylContact C-O 3.58Å; S171-F183 VanDerWaalsContact CA-O 3.24Å; S171-F183 WeakPolarHBondContact CA-O 3.41Å
172K89.4Confident79.3Confident157 Ų15789.5 Ų89.568%0.68348%0.483SS*.EExtended strand (participates in β ladder)trans-106.5153.3171.5-64.7-175.8178.6179.90111.2F183K172-F183 HydrophobicContact CB-CB 4.16Å; K172-F183 HydrophobicContact CB-CD2 4.42Å; K172-F183 PolarHBondContact N-O 2.74Å; K172-F183 WeakPolarHBondContact O-CD2 3.33Å; K172-F183 PolarHBondContact O-N 2.8Å
173V91.1Very high81.5Confident65 Ų6586.4 Ų86.439%0.39446%0.463SS..EExtended strand (participates in β ladder)trans-131.6136.1179.7-173.60000110.2F175 T180 F181 Y182V173-F175 HydrophobicContact CG1-CD2 4.43Å; V173-F175 HydrophobicContact CG1-CE1 4.24Å; V173-F175 HydrophobicContact CG1-CE2 3.9Å; V173-F175 HydrophobicContact CG1-CZ 3.79Å; V173-T180 HydrophobicContact CG1-CG2 3.55Å; V173-F181 CarbonylContact C-O 3.39Å; V173-F181 WeakPolarHBondContact CA-O 3.4Å; V173-Y182 HydrophobicContact CG1-CD1 4.38Å; V173-Y182 HydrophobicContact CG1-CE1 4.22Å; V173-Y182 HydrophobicContact CG2-CD1 3.8Å; V173-Y182 HydrophobicContact CG2-CE1 4Å
174L93.7Very high83.3Confident88 Ų8886.1 Ų86.146%0.46146%0.462SS..EExtended strand (participates in β ladder)trans-125.3124.3174.6176.869.2000109.9V176 F181 F183L174-V176 HydrophobicContact CD2-CG2 4Å; L174-V176 HydrophobicContact CG-CG2 3.88Å; L174-F181 HydrophobicContact CB-CB 4.25Å; L174-F181 PolarHBondContact N-O 2.79Å; L174-F181 PolarHBondContact O-N 2.85Å; L174-F183 HydrophobicContact CB-CE2 3.89Å
175F94.4Very high85.2Confident154 Ų15481.6 Ų81.668%0.67544%0.44SS*.EExtended strand (participates in β ladder)trans-96.8127.6176.3-61-82.2000110.3V173 T180V173-F175 HydrophobicContact CG1-CD2 4.43Å; V173-F175 HydrophobicContact CG1-CE1 4.24Å; V173-F175 HydrophobicContact CG1-CE2 3.9Å; V173-F175 HydrophobicContact CG1-CZ 3.79Å; F175-T180 HydrophobicContact CD1-CG2 3.83Å; F175-T180 HydrophobicContact CE1-CG2 3.68Å; F175-T180 HydrophobicContact CZ-CG2 4.44Å
176V92.9Very high86.7Confident72 Ų7278.5 Ų78.544%0.43643%0.431SS..EExtended strand (participates in β ladder)trans-136.795.9179.9-173.70000109.5L174 N178 K179 F181L174-V176 HydrophobicContact CD2-CG2 4Å; L174-V176 HydrophobicContact CG-CG2 3.88Å; V176-N178 PolarHBondContact O-N 2.79Å; V176-K179 CarbonylContact C-O 3.6Å; V176-K179 PolarHBondContact N-O 3.3Å; V176-K179 WeakPolarHBondContact O-CB 3.46Å; V176-K179 PolarHBondContact O-N 2.82Å; V176-F181 HydrophobicContact CB-CD2 4.46Å; V176-F181 HydrophobicContact CB-CE2 4.05Å; V176-F181 HydrophobicContact CG2-CD2 3.99Å; V176-F181 HydrophobicContact CG2-CE2 3.89Å
177G92.9Very high87.6Confident89 Ų8977.4 Ų77.492%0.91842%0.424SS*.THydrogen-bonded Turntrans60.1-117.6-178.800000112.1K179G177-K179 VanDerWaalsContact C-N 3.34Å
178N92.9Very high88Confident104 Ų10472.4 Ų72.456%0.55640%0.397SS*.THydrogen-bonded Turntrans-92.812.9176.268.9-14.8000114V176 R200V176-N178 PolarHBondContact O-N 2.79Å; N178-R200 PolarHBondContact ND2-NE 3.19Å
179K93.7Very high87.9Confident65 Ų6579 Ų7928%0.28342%0.419SS..EExtended strand (participates in β ladder)trans-117.1144.6179.3-59-179.2174.8-155.70111V176 G177 F181 E198 V199 R200V176-K179 CarbonylContact C-O 3.6Å; V176-K179 PolarHBondContact N-O 3.3Å; V176-K179 WeakPolarHBondContact O-CB 3.46Å; V176-K179 PolarHBondContact O-N 2.82Å; G177-K179 VanDerWaalsContact C-N 3.34Å; K179-F181 HydrophobicContact CB-CE2 4.1Å; K179-F181 HydrophobicContact CD-CZ 4.34Å; K179-E198 HydrophobicContact CD-CG 4.32Å; K179-E198 VanDerWaalsContact CD-OE1 3.24Å; K179-E198 WeakPolarHBondContact CD-OE1 3.28Å; K179-E198 WeakPolarHBondContact CE-OE1 3.36Å; K179-E198 IonicContact NZ-OE1 2.7Å; K179-E198 PolarHBondContact NZ-OE1 3.08Å; K179-E198 IonicContact NZ-OE2 3.74Å; K179-V199 WeakPolarHBondContact CA-O 3.35Å; K179-R200 HydrophobicContact CG-CB 4.45Å
180T93.5Very high87.6Confident27 Ų2782.5 Ų82.517%0.16643%0.425CS..EExtended strand (participates in β ladder)trans-122.2127.6171.3-53.10000109.6V173 F175 Y182 V199V173-T180 HydrophobicContact CG1-CG2 3.55Å; F175-T180 HydrophobicContact CD1-CG2 3.83Å; F175-T180 HydrophobicContact CE1-CG2 3.68Å; F175-T180 HydrophobicContact CZ-CG2 4.44Å; T180-Y182 HydrophobicContact CG2-CD2 4.22Å; T180-Y182 HydrophobicContact CG2-CE1 4.33Å; T180-Y182 HydrophobicContact CG2-CE2 3.58Å; T180-V199 PolarHBondContact N-O 2.68Å; T180-V199 PolarHBondContact O-N 3.04Å
181F95.5Very high87.7Confident47 Ų4775.2 Ų75.221%0.20640%0.398CS..EExtended strand (participates in β ladder)trans-102.7127.5174.9-63.1-91.1000110.2V173 L174 V176 K179 F183 S197 E198V173-F181 CarbonylContact C-O 3.39Å; V173-F181 WeakPolarHBondContact CA-O 3.4Å; L174-F181 HydrophobicContact CB-CB 4.25Å; L174-F181 PolarHBondContact N-O 2.79Å; L174-F181 PolarHBondContact O-N 2.85Å; V176-F181 HydrophobicContact CB-CD2 4.46Å; V176-F181 HydrophobicContact CB-CE2 4.05Å; V176-F181 HydrophobicContact CG2-CD2 3.99Å; V176-F181 HydrophobicContact CG2-CE2 3.89Å; K179-F181 HydrophobicContact CB-CE2 4.1Å; K179-F181 HydrophobicContact CD-CZ 4.34Å; F181-F183 HydrophobicContact CB-CE2 3.8Å; F181-F183 HydrophobicContact CB-CZ 4.17Å; F181-S197 CarbonylContact C-O 3.52Å; F181-S197 VanDerWaalsContact CA-O 3.23Å; F181-S197 WeakPolarHBondContact CA-O 3.23Å; F181-E198 HydrophobicContact CD1-CB 4Å; F181-E198 HydrophobicContact CD1-CG 4.33Å; F181-E198 HydrophobicContact CE1-CB 3.72Å; F181-E198 HydrophobicContact CE1-CG 3.74Å; F181-E198 HydrophobicContact CZ-CB 4.49Å; F181-E198 HydrophobicContact CZ-CG 4.02Å
182Y92.7Very high87.8Confident67 Ų6773.3 Ų73.326%0.26338%0.384SS..EExtended strand (participates in β ladder)trans-108.7133174.6-62.7-91.3000109.6V173 T180 I196 S197 V199V173-Y182 HydrophobicContact CG1-CD1 4.38Å; V173-Y182 HydrophobicContact CG1-CE1 4.22Å; V173-Y182 HydrophobicContact CG2-CD1 3.8Å; V173-Y182 HydrophobicContact CG2-CE1 4Å; T180-Y182 HydrophobicContact CG2-CD2 4.22Å; T180-Y182 HydrophobicContact CG2-CE1 4.33Å; T180-Y182 HydrophobicContact CG2-CE2 3.58Å; Y182-I196 CarbonylContact O-C 3.56Å; Y182-I196 VanDerWaalsContact O-CA 3.32Å; Y182-I196 WeakPolarHBondContact O-CA 3.46Å; Y182-S197 PolarHBondContact N-O 3.28Å; Y182-S197 PolarHBondContact O-N 2.92Å; Y182-V199 HydrophobicContact CD2-CG2 3.83Å; Y182-V199 HydrophobicContact CE2-CB 4.14Å; Y182-V199 HydrophobicContact CE2-CG2 3.64Å
183F93.9Very high87.9Confident61 Ų6167.4 Ų67.427%0.26836%0.358SS..EExtended strand (participates in β ladder)trans-115.796.2177.8-58.9-99.1000107.4S171 K172 L174 F181 L194 I196S171-F183 CarbonylContact C-O 3.58Å; S171-F183 VanDerWaalsContact CA-O 3.24Å; S171-F183 WeakPolarHBondContact CA-O 3.41Å; K172-F183 HydrophobicContact CB-CB 4.16Å; K172-F183 HydrophobicContact CB-CD2 4.42Å; K172-F183 PolarHBondContact N-O 2.74Å; K172-F183 WeakPolarHBondContact O-CD2 3.33Å; K172-F183 PolarHBondContact O-N 2.8Å; L174-F183 HydrophobicContact CB-CE2 3.89Å; F181-F183 HydrophobicContact CB-CE2 3.8Å; F181-F183 HydrophobicContact CB-CZ 4.17Å; F183-L194 HydrophobicContact CB-CD1 4.35Å; F183-I196 HydrophobicContact CD1-CD1 4.13Å; F183-I196 HydrophobicContact CD1-CG1 3.87Å; F183-I196 HydrophobicContact CD1-CG2 4.12Å; F183-I196 HydrophobicContact CE1-CD1 4.06Å; F183-I196 HydrophobicContact CE1-CG1 4.17Å; F183-I196 HydrophobicContact CE1-CG2 3.86Å; F183-I196 HydrophobicContact CZ-CG2 4.34Å
184D90Very high88Confident20 Ų2066 Ų6611%0.10735%0.348CS..EExtended strand (participates in β ladder)trans-106.5127.6-176.5-53.7-50.1000109.4R195 R204D184-R195 PolarHBondContact N-O 3.42Å; D184-R195 PolarHBondContact O-N 3.25Å; D184-R195 IonicContact OD2-CZ 2.67Å; D184-R195 IonicContact OD2-NE 3.28Å; D184-R195 IonicContact OD2-NH2 2.66Å; D184-R195 PolarHBondContact OD2-NH2 3.29Å; D184-R204 IonicContact OD2-NH2 3.07Å
185V89.2Confident88Confident40 Ų4064.2 Ų64.224%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-87.1129.5164.4-170.50000108.2L168 P169 V192 F193 L194L168-V185 HydrophobicContact CB-CB 4.3Å; L168-V185 HydrophobicContact CB-CG1 4.18Å; L168-V185 HydrophobicContact CD1-CG1 4.33Å; L168-V185 HydrophobicContact CD2-CG1 3.84Å; L168-V185 HydrophobicContact CG-CG1 4.32Å; P169-V185 HydrophobicContact CB-CG2 4.07Å; P169-V185 HydrophobicContact CG-CG2 4.17Å; V185-V192 HydrophobicContact CG1-CG1 3.5Å; V185-V192 VanDerWaalsContact CG1-CG1 3.5Å; V185-F193 WeakPolarHBondContact CA-O 3.2Å; V185-L194 HydrophobicContact CG2-CD1 4.3Å
186G82.6Confident88.1Confident16 Ų1658 Ų5817%0.16531%0.309CS..EExtended strand (participates in β ladder)trans-135.9169.2178.200000111.5V192 F193G186-V192 CarbonylContact O-C 3.52Å; G186-V192 WeakPolarHBondContact O-CA 3.45Å; G186-F193 PolarHBondContact N-O 3.29Å; G186-F193 WeakPolarHBondContact O-CD1 3.27Å; G186-F193 PolarHBondContact O-N 3.35Å
187S76.7Confident88.2Confident26 Ų2654.6 Ų54.618%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-128.9150.117562.20000111.2F165F165-S187 WeakPolarHBondContact CB-OG 3.47Å; F165-S187 VanDerWaalsContact CG-CB 3.43Å
188N71.6Confident88.3Confident51 Ų5153 Ų5327%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-146.8-173.4169.368.245.7000109.7F190 G191 F193N188-F190 PolarHBondContact O-N 2.91Å; N188-F190 WeakPolarHBondContact OD1-CA 3.48Å; N188-F190 VanDerWaalsContact OD1-CB 3.27Å; N188-F190 WeakPolarHBondContact OD1-CB 3.34Å; N188-F190 WeakPolarHBondContact OD1-CD2 3.46Å; N188-F190 PolarHBondContact OD1-N 3.32Å; N188-G191 PolarHBondContact N-O 3.49Å; N188-G191 PolarHBondContact O-N 3.16Å; N188-F193 HydrophobicContact CB-CE1 4.02Å; N188-F193 WeakPolarHBondContact ND2-CD1 3.39Å; N188-F193 VanDerWaalsContact ND2-CE1 3.28Å; N188-F193 WeakPolarHBondContact ND2-CE1 3.38Å
189R72.5Confident88.3Confident186 Ų18649.6 Ų49.670%0.70224%0.24SC*.THydrogen-bonded Turntrans-57.8-16.2-179.469.5-179.5179-168.3-0.2115.4
190F77.5Confident88.2Confident159 Ų15952.9 Ų52.970%0.69725%0.251SS*.THydrogen-bonded Turntrans-98.2-2179.9-56.8-70.1000113N188N188-F190 PolarHBondContact O-N 2.91Å; N188-F190 WeakPolarHBondContact OD1-CA 3.48Å; N188-F190 VanDerWaalsContact OD1-CB 3.27Å; N188-F190 WeakPolarHBondContact OD1-CB 3.34Å; N188-F190 WeakPolarHBondContact OD1-CD2 3.46Å; N188-F190 PolarHBondContact OD1-N 3.32Å
191G80.6Confident87.9Confident25 Ų2556 Ų5626%0.25828%0.279SS..EExtended strand (participates in β ladder)trans118.9-168.7-179.800000113.7N188N188-G191 PolarHBondContact N-O 3.49Å; N188-G191 PolarHBondContact O-N 3.16Å
192V86.8Confident87.3Confident20 Ų2061.8 Ų61.812%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-77.4146.2175.3-176.80000109.8F165 L168 V185 G186 E211F165-V192 HydrophobicContact CD1-CG2 3.45Å; F165-V192 VanDerWaalsContact CD1-CG2 3.45Å; F165-V192 HydrophobicContact CE1-CG2 3.5Å; F165-V192 VanDerWaalsContact CE1-CG2 3.5Å; L168-V192 HydrophobicContact CD2-CG1 3.69Å; L168-V192 HydrophobicContact CD2-CG2 3.97Å; V185-V192 HydrophobicContact CG1-CG1 3.5Å; V185-V192 VanDerWaalsContact CG1-CG1 3.5Å; G186-V192 CarbonylContact O-C 3.52Å; G186-V192 WeakPolarHBondContact O-CA 3.45Å; V192-E211 HydrophobicContact CB-CB 3.94Å; V192-E211 HydrophobicContact CB-CG 4.42Å; V192-E211 WeakPolarHBondContact CB-OE2 3.47Å; V192-E211 HydrophobicContact CG1-CB 4.32Å; V192-E211 VanDerWaalsContact O-CB 3.3Å; V192-E211 WeakPolarHBondContact O-CB 3Å; V192-E211 PolarHBondContact O-N 3.05Å
193F90.5Very high87.1Confident33 Ų3364.9 Ų64.915%0.14533%0.332CS..EExtended strand (participates in β ladder)trans-144.8149.917762.1-94000111.3V185 G186 N188 R195 T208 I209V185-F193 WeakPolarHBondContact CA-O 3.2Å; G186-F193 PolarHBondContact N-O 3.29Å; G186-F193 WeakPolarHBondContact O-CD1 3.27Å; G186-F193 PolarHBondContact O-N 3.35Å; N188-F193 HydrophobicContact CB-CE1 4.02Å; N188-F193 WeakPolarHBondContact ND2-CD1 3.39Å; N188-F193 VanDerWaalsContact ND2-CE1 3.28Å; N188-F193 WeakPolarHBondContact ND2-CE1 3.38Å; F193-R195 HydrophobicContact CD2-CB 4.12Å; F193-R195 HydrophobicContact CE2-CB 3.99Å; F193-T208 HydrophobicContact CB-CG2 3.64Å; F193-T208 HydrophobicContact CD1-CG2 4.46Å; F193-T208 HydrophobicContact CD2-CG2 3.46Å; F193-T208 VanDerWaalsContact CD2-CG2 3.46Å; F193-T208 HydrophobicContact CE2-CG2 4.23Å; F193-T208 HydrophobicContact CG-CG2 3.59Å; F193-I209 CarbonylContact C-O 3.56Å; F193-I209 WeakPolarHBondContact CA-O 3.33Å; F193-I209 WeakPolarHBondContact CB-O 3.35Å
194L93.9Very high86.9Confident36 Ų3666.7 Ų66.719%0.18834%0.337CS..EExtended strand (participates in β ladder)trans-90.4126164177.165.4000108.9F183 V185 I196 T208 I209F183-L194 HydrophobicContact CB-CD1 4.35Å; V185-L194 HydrophobicContact CG2-CD1 4.3Å; L194-I196 HydrophobicContact CD2-CD1 4.11Å; L194-I196 HydrophobicContact CD2-CG1 4.12Å; L194-I196 HydrophobicContact CG-CG1 4.06Å; L194-T208 CarbonylContact O-C 3.6Å; L194-T208 WeakPolarHBondContact O-CA 3.06Å; L194-I209 HydrophobicContact CB-CB 4.44Å; L194-I209 PolarHBondContact N-O 3.42Å; L194-I209 WeakPolarHBondContact O-CD1 3.21Å; L194-I209 PolarHBondContact O-N 3.19Å
195R93.9Very high87.1Confident50 Ų5068.9 Ų68.919%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-108.5120.2170.6-172.6-178.665.3-178.9-0.8109.7S106 D184 F193 V207S106-R195 PolarHBondContact OG-NH2 2.68Å; D184-R195 PolarHBondContact N-O 3.42Å; D184-R195 PolarHBondContact O-N 3.25Å; D184-R195 IonicContact OD2-CZ 2.67Å; D184-R195 IonicContact OD2-NE 3.28Å; D184-R195 IonicContact OD2-NH2 2.66Å; D184-R195 PolarHBondContact OD2-NH2 3.29Å; F193-R195 HydrophobicContact CD2-CB 4.12Å; F193-R195 HydrophobicContact CE2-CB 3.99Å; R195-V207 WeakPolarHBondContact CA-O 3.4Å
196I95.8Very high87.3Confident25 Ų2570.4 Ų70.413%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-103.2117.3174.9-52.5177.6000107.3Y182 F183 L194 S206 V207 I209 F217Y182-I196 CarbonylContact O-C 3.56Å; Y182-I196 VanDerWaalsContact O-CA 3.32Å; Y182-I196 WeakPolarHBondContact O-CA 3.46Å; F183-I196 HydrophobicContact CD1-CD1 4.13Å; F183-I196 HydrophobicContact CD1-CG1 3.87Å; F183-I196 HydrophobicContact CD1-CG2 4.12Å; F183-I196 HydrophobicContact CE1-CD1 4.06Å; F183-I196 HydrophobicContact CE1-CG1 4.17Å; F183-I196 HydrophobicContact CE1-CG2 3.86Å; F183-I196 HydrophobicContact CZ-CG2 4.34Å; L194-I196 HydrophobicContact CD2-CD1 4.11Å; L194-I196 HydrophobicContact CD2-CG1 4.12Å; L194-I196 HydrophobicContact CG-CG1 4.06Å; I196-S206 CarbonylContact O-C 3.6Å; I196-S206 WeakPolarHBondContact O-CA 3.14Å; I196-S206 WeakPolarHBondContact O-CB 3.48Å; I196-V207 HydrophobicContact CB-CG1 3.93Å; I196-V207 PolarHBondContact N-O 3.1Å; I196-V207 PolarHBondContact O-N 3.39Å; I196-I209 HydrophobicContact CD1-CD1 3.84Å; I196-I209 HydrophobicContact CG1-CD1 3.94Å; I196-F217 HydrophobicContact CD1-CE1 3.64Å; I196-F217 HydrophobicContact CD1-CZ 3.97Å
197S95.1Very high88Confident0 Ų073.1 Ų73.10%038%0.379CS..EExtended strand (participates in β ladder)trans-112.8128.3179.4-53.60000111.3F181 Y182 R204 S205F181-S197 CarbonylContact C-O 3.52Å; F181-S197 VanDerWaalsContact CA-O 3.23Å; F181-S197 WeakPolarHBondContact CA-O 3.23Å; Y182-S197 PolarHBondContact N-O 3.28Å; Y182-S197 PolarHBondContact O-N 2.92Å; S197-R204 PolarHBondContact OG-NE 2.79Å; S197-R204 PolarHBondContact OG-NH2 2.98Å; S197-S205 CarbonylContact C-O 3.58Å; S197-S205 VanDerWaalsContact CA-O 3.27Å; S197-S205 WeakPolarHBondContact CA-O 3.45Å
198E95.6Very high88.8Confident54 Ų5475.4 Ų75.425%0.25239%0.392SS..EExtended strand (participates in β ladder)trans-93.5129.8165.9-179.2-175.9151.300108.9K179 F181 R204 S205K179-E198 HydrophobicContact CD-CG 4.32Å; K179-E198 VanDerWaalsContact CD-OE1 3.24Å; K179-E198 WeakPolarHBondContact CD-OE1 3.28Å; K179-E198 WeakPolarHBondContact CE-OE1 3.36Å; K179-E198 IonicContact NZ-OE1 2.7Å; K179-E198 PolarHBondContact NZ-OE1 3.08Å; K179-E198 IonicContact NZ-OE2 3.74Å; F181-E198 HydrophobicContact CD1-CB 4Å; F181-E198 HydrophobicContact CD1-CG 4.33Å; F181-E198 HydrophobicContact CE1-CB 3.72Å; F181-E198 HydrophobicContact CE1-CG 3.74Å; F181-E198 HydrophobicContact CZ-CB 4.49Å; F181-E198 HydrophobicContact CZ-CG 4.02Å; E198-R204 VanDerWaalsContact O-CA 3.32Å; E198-R204 WeakPolarHBondContact O-CA 3.28Å; E198-S205 PolarHBondContact N-O 3.04Å; E198-S205 PolarHBondContact O-N 2.88Å
199V92.7Very high90Very high34 Ų3473.5 Ų73.521%0.20638%0.382CS..EExtended strand (participates in β ladder)trans-121.3126.6175.2-178.90000109.5K179 T180 Y182 R204K179-V199 WeakPolarHBondContact CA-O 3.35Å; T180-V199 PolarHBondContact N-O 2.68Å; T180-V199 PolarHBondContact O-N 3.04Å; Y182-V199 HydrophobicContact CD2-CG2 3.83Å; Y182-V199 HydrophobicContact CE2-CB 4.14Å; Y182-V199 HydrophobicContact CE2-CG2 3.64Å; V199-R204 HydrophobicContact CG2-CB 4.26Å; V199-R204 HydrophobicContact CG2-CG 3.92Å
200R91.6Very high91Very high134 Ų13467.3 Ų67.351%0.50637%0.366SS..EExtended strand (participates in β ladder)trans-134.3113.7172.7-177.6-177.2176.6-167.6-2.2109.3N178 K179 N202 I203N178-R200 PolarHBondContact ND2-NE 3.19Å; K179-R200 HydrophobicContact CG-CB 4.45Å; R200-N202 PolarHBondContact O-N 3.36Å; R200-I203 PolarHBondContact N-O 3.08Å; R200-I203 PolarHBondContact O-N 3.35Å
201A87Confident91.8Very high92 Ų9265.4 Ų65.476%0.7636%0.359SS*.THydrogen-bonded Turntrans49.3-112-172.800000111.1
202N84.2Confident92.4Very high169 Ų16971.4 Ų71.490%0.90438%0.38SS*.THydrogen-bonded Turntrans-99.52.1-179.5-64.6-16.1000113.9R200R200-N202 PolarHBondContact O-N 3.36Å
203I86.9Confident92.8Very high132 Ų13275.2 Ų75.268%0.67740%0.397SS*.EExtended strand (participates in β ladder)trans-100.8130.9-179.6-57.1175.7000108.8R200R200-I203 PolarHBondContact N-O 3.08Å; R200-I203 PolarHBondContact O-N 3.35Å
204R90.4Very high93Very high99 Ų9975.1 Ų75.137%0.37440%0.4SS..EExtended strand (participates in β ladder)trans-127.7128.6173.8179.9173.6-177.7171.45.9110D184 S197 E198 V199D184-R204 IonicContact OD2-NH2 3.07Å; S197-R204 PolarHBondContact OG-NE 2.79Å; S197-R204 PolarHBondContact OG-NH2 2.98Å; E198-R204 VanDerWaalsContact O-CA 3.32Å; E198-R204 WeakPolarHBondContact O-CA 3.28Å; V199-R204 HydrophobicContact CG2-CB 4.26Å; V199-R204 HydrophobicContact CG2-CG 3.92Å
205S93.7Very high93.1Very high65 Ų6578.3 Ų78.346%0.45542%0.421SS..EExtended strand (participates in β ladder)trans-120156.4168.359.70000109.3S197 E198S197-S205 CarbonylContact C-O 3.58Å; S197-S205 VanDerWaalsContact CA-O 3.27Å; S197-S205 WeakPolarHBondContact CA-O 3.45Å; E198-S205 PolarHBondContact N-O 3.04Å; E198-S205 PolarHBondContact O-N 2.88Å
206S94.6Very high93.2Very high72 Ų7282.7 Ų82.750%0.50344%0.437SS..EExtended strand (participates in β ladder)trans-153.7151.8178.462.50000113I196I196-S206 CarbonylContact O-C 3.6Å; I196-S206 WeakPolarHBondContact O-CA 3.14Å; I196-S206 WeakPolarHBondContact O-CB 3.48Å
207V96.1Very high93.3Very high73 Ų7384.5 Ų84.544%0.44244%0.444SS..EExtended strand (participates in β ladder)trans-115.8145.616760.40000109.5R195 I196 I209R195-V207 WeakPolarHBondContact CA-O 3.4Å; I196-V207 HydrophobicContact CB-CG1 3.93Å; I196-V207 PolarHBondContact N-O 3.1Å; I196-V207 PolarHBondContact O-N 3.39Å; V207-I209 HydrophobicContact CG1-CD1 3.89Å; V207-I209 HydrophobicContact CG2-CD1 4.28Å
208T94.4Very high93.3Very high75 Ų7587.7 Ų87.746%0.4647%0.466SS..EExtended strand (participates in β ladder)trans-115.2125175.5-61.40000108.9F193 L194F193-T208 HydrophobicContact CB-CG2 3.64Å; F193-T208 HydrophobicContact CD1-CG2 4.46Å; F193-T208 HydrophobicContact CD2-CG2 3.46Å; F193-T208 VanDerWaalsContact CD2-CG2 3.46Å; F193-T208 HydrophobicContact CE2-CG2 4.23Å; F193-T208 HydrophobicContact CG-CG2 3.59Å; L194-T208 CarbonylContact O-C 3.6Å; L194-T208 WeakPolarHBondContact O-CA 3.06Å
209I95.5Very high93.4Very high10 Ų1088.8 Ų88.85%0.05147%0.474CS..EExtended strand (participates in β ladder)trans-113.8115.1179.9-5489.9000107.6F193 L194 I196 V207 H213 F217F193-I209 CarbonylContact C-O 3.56Å; F193-I209 WeakPolarHBondContact CA-O 3.33Å; F193-I209 WeakPolarHBondContact CB-O 3.35Å; L194-I209 HydrophobicContact CB-CB 4.44Å; L194-I209 PolarHBondContact N-O 3.42Å; L194-I209 WeakPolarHBondContact O-CD1 3.21Å; L194-I209 PolarHBondContact O-N 3.19Å; I196-I209 HydrophobicContact CD1-CD1 3.84Å; I196-I209 HydrophobicContact CG1-CD1 3.94Å; V207-I209 HydrophobicContact CG1-CD1 3.89Å; V207-I209 HydrophobicContact CG2-CD1 4.28Å; I209-H213 HydrophobicContact CG2-CB 4.31Å; I209-F217 HydrophobicContact CD1-CE1 4.31Å; I209-F217 HydrophobicContact CD1-CE2 4.4Å; I209-F217 HydrophobicContact CD1-CZ 4.15Å; I209-F217 HydrophobicContact CG1-CD1 4.39Å; I209-F217 HydrophobicContact CG1-CD2 3.96Å; I209-F217 HydrophobicContact CG1-CE1 4.38Å; I209-F217 HydrophobicContact CG1-CE2 3.97Å; I209-F217 HydrophobicContact CG1-CG 4.18Å; I209-F217 HydrophobicContact CG1-CZ 4.19Å; I209-F217 HydrophobicContact CG2-CB 4.13Å; I209-F217 HydrophobicContact CG2-CD2 4.48Å; I209-F217 HydrophobicContact CG2-CG 4.27Å
210P94.4Very high93.6Very high56 Ų5690.5 Ų90.536%0.36448%0.481SS..EExtended strand (participates in β ladder)trans-57.9143.3172.5-23.534.2000111.5Q212 H213 C214P210-Q212 VanDerWaalsContact C-N 3.27Å; P210-Q212 HydrophobicContact CB-CG 4.27Å; P210-Q212 PolarHBondContact O-N 3.47Å; P210-H213 PolarHBondContact O-N 3.19Å; P210-C214 PolarHBondContact O-N 3.16Å
211E93.6Very high93.8Very high120 Ų12088.3 Ų88.356%0.56148%0.478SS*.Hα-helixtrans-49-46.8-176.7176.5-176.8-151.500112.9V192 H213 C214V192-E211 HydrophobicContact CB-CB 3.94Å; V192-E211 HydrophobicContact CB-CG 4.42Å; V192-E211 WeakPolarHBondContact CB-OE2 3.47Å; V192-E211 HydrophobicContact CG1-CB 4.32Å; V192-E211 VanDerWaalsContact O-CB 3.3Å; V192-E211 WeakPolarHBondContact O-CB 3Å; V192-E211 PolarHBondContact O-N 3.05Å; E211-H213 PolarHBondContact O-N 2.97Å; E211-C214 WeakPolarHBondContact O-CB 3.38Å; E211-C214 PolarHBondContact O-N 3.12Å
212Q93.5Very high94.3Very high150 Ų15087.5 Ų87.570%0.70146%0.464SS*.Hα-helixtrans-59.5-13.9179.470.3-145.926.100114.9P210P210-Q212 VanDerWaalsContact C-N 3.27Å; P210-Q212 HydrophobicContact CB-CG 4.27Å; P210-Q212 PolarHBondContact O-N 3.47Å
213H96.5Very high94.8Very high101 Ų10183.7 Ų83.747%0.46844%0.441SS..Hα-helixtrans-112-1.9178-60.7-51.1000113.4I209 P210 E211 T215 R216 F217I209-H213 HydrophobicContact CG2-CB 4.31Å; P210-H213 PolarHBondContact O-N 3.19Å; E211-H213 PolarHBondContact O-N 2.97Å; H213-T215 PolarHBondContact O-N 3.39Å; H213-R216 PolarHBondContact O-N 3.39Å; H213-F217 WeakPolarHBondContact O-CB 3.29Å; H213-F217 PolarHBondContact O-N 3.47Å
214C94.1Very high95.3Very high31 Ų3181.8 Ų81.821%0.20943%0.431CS..Hα-helixtrans-59.9-42.1-179.3-75.90000112.4P210 E211 F217 C218P210-C214 PolarHBondContact O-N 3.16Å; E211-C214 WeakPolarHBondContact O-CB 3.38Å; E211-C214 PolarHBondContact O-N 3.12Å; C214-F217 WeakPolarHBondContact O-CB 3.45Å; C214-F217 PolarHBondContact O-N 2.91Å; C214-C218 PolarHBondContact O-N 3.25Å; C214-C218 PolarHBondContact O-SG 3.45Å; C214-C218 VanDerWaalsContact O-SG 3.34Å
215T95.8Very high95.5Very high103 Ų10379.1 Ų79.163%0.63243%0.431SS*.Hα-helixtrans-59.2-50.9176.4-51.50000111.1H213 F217 C218 D219H213-T215 PolarHBondContact O-N 3.39Å; T215-F217 VanDerWaalsContact C-N 3.27Å; T215-F217 PolarHBondContact O-N 2.91Å; T215-C218 WeakPolarHBondContact O-CB 3.26Å; T215-C218 PolarHBondContact O-N 3.36Å; T215-C218 VanDerWaalsContact O-N 3.12Å; T215-D219 VanDerWaalsContact O-CG 3.24Å; T215-D219 PolarHBondContact O-N 2.86Å
216R96.9Very high95.5Very high141 Ų14180.7 Ų80.753%0.53243%0.434SS..Hα-helixtrans-61.8-37.3179-177.357.3179154.62.9112.1H213 D219 I220H213-R216 PolarHBondContact O-N 3.39Å; R216-D219 PolarHBondContact O-N 3.43Å; R216-I220 HydrophobicContact CG-CD1 4.16Å; R216-I220 VanDerWaalsContact O-CG1 3.3Å; R216-I220 WeakPolarHBondContact O-CG1 3.37Å; R216-I220 PolarHBondContact O-N 3.4Å; R216-I220 VanDerWaalsContact O-N 3.08Å
217F96.5Very high95.5Very high63 Ų6382.4 Ų82.428%0.27643%0.432SS..Hα-helixtrans-62.8-44.9175.5-174.3-96.7000111.5I196 I209 H213 C214 T215 I220 I221I196-F217 HydrophobicContact CD1-CE1 3.64Å; I196-F217 HydrophobicContact CD1-CZ 3.97Å; I209-F217 HydrophobicContact CD1-CE1 4.31Å; I209-F217 HydrophobicContact CD1-CE2 4.4Å; I209-F217 HydrophobicContact CD1-CZ 4.15Å; I209-F217 HydrophobicContact CG1-CD1 4.39Å; I209-F217 HydrophobicContact CG1-CD2 3.96Å; I209-F217 HydrophobicContact CG1-CE1 4.38Å; I209-F217 HydrophobicContact CG1-CE2 3.97Å; I209-F217 HydrophobicContact CG1-CG 4.18Å; I209-F217 HydrophobicContact CG1-CZ 4.19Å; I209-F217 HydrophobicContact CG2-CB 4.13Å; I209-F217 HydrophobicContact CG2-CD2 4.48Å; I209-F217 HydrophobicContact CG2-CG 4.27Å; H213-F217 WeakPolarHBondContact O-CB 3.29Å; H213-F217 PolarHBondContact O-N 3.47Å; C214-F217 WeakPolarHBondContact O-CB 3.45Å; C214-F217 PolarHBondContact O-N 2.91Å; T215-F217 VanDerWaalsContact C-N 3.27Å; T215-F217 PolarHBondContact O-N 2.91Å; F217-I220 PolarHBondContact O-N 2.99Å; F217-I221 HydrophobicContact CD1-CD1 3.71Å; F217-I221 HydrophobicContact CE1-CD1 3.26Å; F217-I221 HydrophobicContact CE1-CG1 4.33Å; F217-I221 HydrophobicContact CZ-CD1 3.82Å; F217-I221 WeakPolarHBondContact O-CG1 3.39Å; F217-I221 PolarHBondContact O-N 3.23Å
218C96Very high95.2Very high67 Ų6784.5 Ų84.545%0.45344%0.439SS..Hα-helixtrans-62.5-40.9174.2-69.80000112.6C214 T215 I220 I221 T222C214-C218 PolarHBondContact O-N 3.25Å; C214-C218 PolarHBondContact O-SG 3.45Å; C214-C218 VanDerWaalsContact O-SG 3.34Å; T215-C218 WeakPolarHBondContact O-CB 3.26Å; T215-C218 PolarHBondContact O-N 3.36Å; T215-C218 VanDerWaalsContact O-N 3.12Å; C218-I220 PolarHBondContact O-N 2.93Å; C218-I221 PolarHBondContact O-N 2.62Å; C218-T222 WeakPolarHBondContact O-CB 3.39Å; C218-T222 PolarHBondContact O-N 3.24Å; C218-T222 PolarHBondContact O-OG1 2.7Å
219D97Very high94.9Very high78 Ų7884.2 Ų84.242%0.41744%0.44SS..Hα-helixtrans-59.7-46.9176.8-62.2-26.7000111.2T215 R216 I221 T222 E223T215-D219 VanDerWaalsContact O-CG 3.24Å; T215-D219 PolarHBondContact O-N 2.86Å; R216-D219 PolarHBondContact O-N 3.43Å; D219-I221 PolarHBondContact O-N 2.89Å; D219-T222 PolarHBondContact O-N 3.02Å; D219-E223 WeakPolarHBondContact O-CB 3.36Å; D219-E223 PolarHBondContact O-N 2.82Å
220I97.1Very high94.3Very high69 Ų6987.5 Ų87.535%0.35446%0.464SS..Hα-helixtrans-62-44.9178.5-68165.6000110.6R216 F217 C218 T222 E223 L224R216-I220 HydrophobicContact CG-CD1 4.16Å; R216-I220 VanDerWaalsContact O-CG1 3.3Å; R216-I220 WeakPolarHBondContact O-CG1 3.37Å; R216-I220 PolarHBondContact O-N 3.4Å; R216-I220 VanDerWaalsContact O-N 3.08Å; F217-I220 PolarHBondContact O-N 2.99Å; C218-I220 PolarHBondContact O-N 2.93Å; I220-T222 VanDerWaalsContact C-N 3.33Å; I220-T222 PolarHBondContact O-N 2.85Å; I220-E223 PolarHBondContact O-N 3.05Å; I220-L224 HydrophobicContact CG2-CD1 3.91Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 WeakPolarHBondContact O-CB 3.31Å; I220-L224 VanDerWaalsContact O-CG 3.26Å; I220-L224 WeakPolarHBondContact O-CG 3.1Å; I220-L224 PolarHBondContact O-N 2.99Å
221I96.1Very high93.1Very high88 Ų8891.2 Ų91.245%0.45148%0.476SS..Hα-helixtrans-60.7-44.4176.5-72.3176.2000110.9F217 C218 D219 L224 A225F217-I221 HydrophobicContact CD1-CD1 3.71Å; F217-I221 HydrophobicContact CE1-CD1 3.26Å; F217-I221 HydrophobicContact CE1-CG1 4.33Å; F217-I221 HydrophobicContact CZ-CD1 3.82Å; F217-I221 WeakPolarHBondContact O-CG1 3.39Å; F217-I221 PolarHBondContact O-N 3.23Å; C218-I221 PolarHBondContact O-N 2.62Å; D219-I221 PolarHBondContact O-N 2.89Å; I221-L224 PolarHBondContact O-N 3.03Å; I221-A225 VanDerWaalsContact O-CB 3.29Å; I221-A225 WeakPolarHBondContact O-CB 3.37Å; I221-A225 PolarHBondContact O-N 2.8Å
222T96.8Very high91.5Very high75 Ų7594.1 Ų94.146%0.4649%0.487SS..Hα-helixtrans-64.2-45-179.3-56.50000111.2C218 D219 I220 L224 A225 N226C218-T222 WeakPolarHBondContact O-CB 3.39Å; C218-T222 PolarHBondContact O-N 3.24Å; C218-T222 PolarHBondContact O-OG1 2.7Å; D219-T222 PolarHBondContact O-N 3.02Å; I220-T222 VanDerWaalsContact C-N 3.33Å; I220-T222 PolarHBondContact O-N 2.85Å; T222-L224 PolarHBondContact O-N 2.96Å; T222-A225 PolarHBondContact O-N 3.28Å; T222-N226 VanDerWaalsContact O-CG 3.26Å; T222-N226 PolarHBondContact O-N 2.63Å; T222-N226 PolarHBondContact O-ND2 2.82Å
223E96.1Very high89.7Confident89 Ų8992.8 Ų92.842%0.41649%0.489SS..Hα-helixtrans-58.2-47.7175.2-172.1-168148.500111.6D219 I220 N226 K227D219-E223 WeakPolarHBondContact O-CB 3.36Å; D219-E223 PolarHBondContact O-N 2.82Å; I220-E223 PolarHBondContact O-N 3.05Å; E223-N226 PolarHBondContact O-N 2.81Å; E223-K227 HydrophobicContact CG-CD 4.46Å; E223-K227 WeakPolarHBondContact O-CG 3.47Å; E223-K227 PolarHBondContact O-N 2.84Å; E223-K227 VanDerWaalsContact O-N 3.07Å; E223-K227 WeakPolarHBondContact OE1-CE 3.29Å; E223-K227 IonicContact OE1-NZ 2.64Å; E223-K227 PolarHBondContact OE1-NZ 2.87Å
224L95.9Very high87.6Confident92 Ų9293.1 Ų93.148%0.48250%0.498SS..Hα-helixtrans-66-40.1178.5-69.2173.1000111.9I220 I221 T222 N226 K227 M228I220-L224 HydrophobicContact CG2-CD1 3.91Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 WeakPolarHBondContact O-CB 3.31Å; I220-L224 VanDerWaalsContact O-CG 3.26Å; I220-L224 WeakPolarHBondContact O-CG 3.1Å; I220-L224 PolarHBondContact O-N 2.99Å; I221-L224 PolarHBondContact O-N 3.03Å; T222-L224 PolarHBondContact O-N 2.96Å; L224-N226 PolarHBondContact O-N 3.28Å; L224-K227 PolarHBondContact O-N 3.39Å; L224-M228 WeakPolarHBondContact O-CG 3.4Å; L224-M228 PolarHBondContact O-N 3.3Å
225A94.5Very high85.6Confident43 Ų4399.2 Ų99.236%0.35553%0.529SS..Hα-helixtrans-60.6-43.6176.500000112I221 T222 M228 S229I221-A225 VanDerWaalsContact O-CB 3.29Å; I221-A225 WeakPolarHBondContact O-CB 3.37Å; I221-A225 PolarHBondContact O-N 2.8Å; T222-A225 PolarHBondContact O-N 3.28Å; A225-M228 PolarHBondContact O-N 2.8Å; A225-S229 PolarHBondContact O-N 2.75Å; A225-S229 VanDerWaalsContact O-N 3.07Å; A225-S229 PolarHBondContact O-OG 2.88Å
226N94.5Very high83Confident98 Ų9896.8 Ų96.852%0.52452%0.524SS..Hα-helixtrans-67.6-34.4177.4-69.1-21.5000113.1T222 E223 L224 S229 S230T222-N226 VanDerWaalsContact O-CG 3.26Å; T222-N226 PolarHBondContact O-N 2.63Å; T222-N226 PolarHBondContact O-ND2 2.82Å; E223-N226 PolarHBondContact O-N 2.81Å; L224-N226 PolarHBondContact O-N 3.28Å; N226-S229 WeakPolarHBondContact CA-OG 3.37Å; N226-S229 PolarHBondContact O-OG 3.45Å; N226-S230 PolarHBondContact O-N 2.9Å; N226-S230 PolarHBondContact O-OG 2.85Å
227K93.7Very high80Confident109 Ų10996.3 Ų96.347%0.47454%0.537SS..Hα-helixtrans-68.6-40.6173.7-75173.7174.2173.60111.6E223 L224 S229 S230 Q231E223-K227 HydrophobicContact CG-CD 4.46Å; E223-K227 WeakPolarHBondContact O-CG 3.47Å; E223-K227 PolarHBondContact O-N 2.84Å; E223-K227 VanDerWaalsContact O-N 3.07Å; E223-K227 WeakPolarHBondContact OE1-CE 3.29Å; E223-K227 IonicContact OE1-NZ 2.64Å; E223-K227 PolarHBondContact OE1-NZ 2.87Å; L224-K227 PolarHBondContact O-N 3.39Å; K227-S229 PolarHBondContact O-N 3.42Å; K227-S230 PolarHBondContact O-N 2.91Å; K227-Q231 PolarHBondContact O-N 3.11Å
228M89.7Confident77.3Confident116 Ų11699.4 Ų99.457%0.57157%0.566SS**Hα-helixtrans-66-34.4177.2-74.3-173.2-7100113L224 A225L224-M228 WeakPolarHBondContact O-CG 3.4Å; L224-M228 PolarHBondContact O-N 3.3Å; A225-M228 PolarHBondContact O-N 2.8Å
229S88.7Confident74.6Confident69 Ų69104.4 Ų104.448%0.48358%0.583SS.*Hα-helixtrans-71.3-39.9174.7570000112.1A225 N226 K227 K232A225-S229 PolarHBondContact O-N 2.75Å; A225-S229 VanDerWaalsContact O-N 3.07Å; A225-S229 PolarHBondContact O-OG 2.88Å; N226-S229 WeakPolarHBondContact CA-OG 3.37Å; N226-S229 PolarHBondContact O-OG 3.45Å; K227-S229 PolarHBondContact O-N 3.42Å; S229-K232 PolarHBondContact O-N 2.92Å
230S82.3Confident71.9Confident80 Ų80108.9 Ų108.956%0.55961%0.607SS**Hα-helixtrans-66.2-39.2177.3-58.60000113.3N226 K227 K232 V233N226-S230 PolarHBondContact O-N 2.9Å; N226-S230 PolarHBondContact O-OG 2.85Å; K227-S230 PolarHBondContact O-N 2.91Å; S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 PolarHBondContact O-N 2.9Å; S230-V233 PolarHBondContact O-N 3.41Å
231Q69.5Low69.1Low134 Ų134109.2 Ų109.263%0.62663%0.627SS**Hα-helixtrans-71.1-22.2-179.6-78.8-176.8-26.400114.2K227 V233 T234K227-Q231 PolarHBondContact O-N 3.11Å; Q231-V233 PolarHBondContact O-N 3.41Å; Q231-V233 VanDerWaalsContact O-N 3.13Å; Q231-T234 PolarHBondContact O-N 3.14Å; Q231-T234 PolarHBondContact O-OG1 2.59Å
232K60.4Low66.3Low181 Ų181113 Ų11379%0.78765%0.648SS**THydrogen-bonded Turntrans-66.4-11.9176.2-78.3-177.4178.7-175.20113.2S229 S230S229-K232 PolarHBondContact O-N 2.92Å; S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 PolarHBondContact O-N 2.9Å
233V55.5Low63.7Low122 Ų122114.7 Ų114.774%0.73966%0.663SS**THydrogen-bonded Turntrans-89.5-16.6177.9-169.80000112.7S230 Q231S230-V233 PolarHBondContact O-N 3.41Å; Q231-V233 PolarHBondContact O-N 3.41Å; Q231-V233 VanDerWaalsContact O-N 3.13Å
234T53.6Low61.1Low107 Ų107115.1 Ų115.166%0.65668%0.676SS**SBendtrans-100.5-2.6-173.349.40000116Q231Q231-T234 PolarHBondContact O-N 3.14Å; Q231-T234 PolarHBondContact O-OG1 2.59Å
235N50.5Low58.6Low160 Ų160118.7 Ų118.786%0.85670%0.696SS**SBendtrans-99.736.4-179.8-82.81.7000114.1
236G41Very low56.1Low51 Ų51125.3 Ų125.353%0.52672%0.72SS.*SBendtrans-152.3131.3170.800000110.6
237T34.4Very low53.7Low131 Ų131125.3 Ų125.380%0.80473%0.725SS**  trans87.689.8176-90000116.2
238S40.3Very low51.3Low128 Ų128128.5 Ų128.590%0.89574%0.741SS**  trans-135.7109.1143.7-74.40000107.6
239E39.3Very low49.1Very low173 Ų173129.7 Ų129.781%0.80875%0.745SS**  trans-70.3135.2170.7-63.1173.5145.300109.7
240N40Very low47Very low171 Ų171134.9 Ų134.991%0.91476%0.759SS**  trans-159.8119.9154.9-94.5-20000102.9
241G39.6Very low45.1Very low76 Ų76134.8 Ų134.878%0.78476%0.763SS**  cis122.4107.74300000106.2
242N35.8Very low43.9Very low167 Ų167137 Ų13789%0.89377%0.773SS**  trans-29.7140.1178.7-82.3-19.5000118
243S42.3Very low43.2Very low111 Ų111136.1 Ų136.178%0.77678%0.777SS**  177.5124121.230.90000114.1
244S41.8Very low42.9Very low98 Ų98137.2 Ų137.269%0.68578%0.779SS**  trans34.6117143.258.70000122.5
245D42.6Very low42.7Very low167 Ų167137.9 Ų137.989%0.89378%0.783SS**  158.1137.3102.7-89-26.9000112.3
246Q43.6Very low42.5Very low183 Ų183139.6 Ų139.686%0.85578%0.783SS**  trans-100.2-175.5-175.8-94.9-159.3-7.800111.4
247P43.9Very low42.5Very low97 Ų97145.8 Ų145.863%0.6380%0.798SS**  -138.4-156.4-51.240.7-20.8000111.9
248E43.7Very low43.1Very low177 Ų177147.5 Ų147.583%0.82780%0.802SS**  trans92.4136.4173.3-55-174.415700114.9
249E42.7Very low43.2Very low140 Ų140146.8 Ų146.865%0.65479%0.792SS**  cis-166.7146.830.5-139.7-175.5164.900111.4
250K44.4Very low43.7Very low179 Ų179146.5 Ų146.578%0.77880%0.797SS**  trans31.2156.6137.3-67174.4-158.8152.10121.9
251A43.6Very low43.9Very low77 Ų77142 Ų14264%0.63679%0.791SS**  cis-171.9162.7-3.400000109.7
252E43.3Very low44.8Very low180 Ų180146 Ų14684%0.84179%0.794SS**  trans37.4130.5143.8-63.3167.6165.900122.9
253D46.6Very low45.3Very low163 Ų163143 Ų14387%0.87279%0.786SS**  -170.1148.6107.8-117.7-24.8000115.7
254D48.3Very low46Very low145 Ų145143.5 Ų143.578%0.77579%0.79SS**  trans-68.8170.6-172.7-89.5-50.2000117.1
255V49.3Very low46.7Very low122 Ų122145.7 Ų145.774%0.73980%0.799SS**  158.4107.1117.2170.10000114.3
256K46.6Very low47.3Very low196 Ų196142.1 Ų142.185%0.85279%0.792SS**  trans58.3130.9130.2-57.7-178.6179.1175.90124.5
257E41.5Very low47.9Very low180 Ų180142.6 Ų142.684%0.84182%0.816SS**  trans-44.6148.7157.1-79173.2131.200115.7
258N47Very low48.1Very low167 Ų167144.9 Ų144.989%0.89383%0.825SS**  trans-148.1115.1144.8-110.8-15.3000110.8
259T42.1Very low48.3Very low113 Ų113143.2 Ų143.269%0.69383%0.825SS**  trans-69141.1163.8420000111.2
260N50.2Low48.7Very low168 Ų168143.4 Ų143.490%0.89883%0.834SS**  trans-161.2118.3143.8-98.8-20.5000110.4
261G43.8Very low48.9Very low76 Ų76141.3 Ų141.378%0.78484%0.838SS**  trans-78.3150.5165.900000110.7
262N57.1Low49.2Very low161 Ų161145.3 Ų145.386%0.86185%0.85SS**  trans-150.5123.8148.1-149.516.3000110.5
263S47.3Very low49.6Very low104 Ų104143 Ų14373%0.72785%0.851SS**  trans-80.6139.4169.351.50000110.5
264S55.8Low49.8Very low121 Ų121141.6 Ų141.685%0.84685%0.849SS**  trans-155.5117.2149.562.70000111.2
265V56.4Low50Low144 Ų144141.3 Ų141.387%0.87386%0.855SS**  trans-74.5139166.7175.80000108.9
266A55.5Low50Low91 Ų91142.9 Ų142.975%0.75287%0.865SS**  trans-160.5115.7151.700000110.4
267S56.9Low50.3Low194 Ų194138.1 Ų138.1100%1.35787%0.866SS**  trans52.70153.1-52.40000120.8

Retrieved 267 of 267 residues in 101.4 ms (Link to these results)

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