A0A087X7I5_POEFO Loading...

Sodium channel modifier 1

AlphaFold DB , UniProt , Accession A0A087X7I5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M39.6Very low53.6Low244 Ų244129.5 Ų129.5100%1.20273%0.726SS**  0101.10-68.2-178.6171.800107.5
2A41.4Very low54.4Low101 Ų101132.6 Ų132.684%0.83572%0.718SS**  trans-83.8112.9-178.100000109.2T4A2-T4 PolarHBondContact O-N 2.9Å; A2-T4 VanDerWaalsContact O-N 3.16Å
3T50.7Low55.1Low135 Ų135129.4 Ų129.483%0.82870%0.7SS**  trans-76.595.2175.220.90000109.5V5T3-V5 PolarHBondContact O-N 3.39Å
4T55.2Low56.4Low131 Ų131123.8 Ų123.880%0.80467%0.669SS**  trans-62.8100166.2-680000109.2A2 A6A2-T4 PolarHBondContact O-N 2.9Å; A2-T4 VanDerWaalsContact O-N 3.16Å; T4-A6 PolarHBondContact O-N 3.19Å
5V58.1Low56.8Low124 Ų124127.3 Ų127.375%0.75267%0.669SS**  trans-72.1118.4169.6179.80000107.8T3T3-V5 PolarHBondContact O-N 3.39Å
6A53Low57.6Low53 Ų53127.6 Ų127.644%0.43866%0.663SS.*  trans-60.2140-169.400000114T4 R8 T9T4-A6 PolarHBondContact O-N 3.19Å; A6-R8 PolarHBondContact O-N 2.9Å; A6-R8 VanDerWaalsContact O-N 3.13Å; A6-T9 PolarHBondContact O-OG1 3.41Å
7P58.5Low58.2Low100 Ų100130.9 Ų130.965%0.64967%0.665SS**Hα-helixtrans-67.8-13.3-176.724.7-33.6000115
8R55.6Low58.9Low218 Ų218133.1 Ų133.182%0.82366%0.664SS**Hα-helixtrans-75.4-25.8-174.6-67.7-177.1177.5-122.70.5114.1A6A6-R8 PolarHBondContact O-N 2.9Å; A6-R8 VanDerWaalsContact O-N 3.13Å
9T57.8Low59.5Low78 Ų78128.8 Ų128.848%0.47965%0.645SS.*Hα-helixtrans-81-34.7179.353.30000111.5A6 R12 N13A6-T9 PolarHBondContact O-OG1 3.41Å; T9-R12 PolarHBondContact O-N 2.89Å; T9-N13 PolarHBondContact O-N 3.08Å; T9-N13 VanDerWaalsContact O-N 3.13Å; T9-N13 PolarHBondContact O-ND2 2.71Å; T9-N13 VanDerWaalsContact O-ND2 3.13Å
10Y56.1Low59.9Low164 Ų164124.1 Ų124.164%0.64363%0.627SS**Hα-helixtrans-61.8-49.7179.8-172.8-112000112.1R12 N13 I14Y10-R12 VanDerWaalsContact C-N 3.33Å; Y10-R12 PolarHBondContact O-N 3.14Å; Y10-N13 PolarHBondContact O-N 3.01Å; Y10-I14 HydrophobicContact CD1-CD1 3.59Å; Y10-I14 HydrophobicContact CD2-CD1 4.41Å; Y10-I14 HydrophobicContact CE1-CD1 3.28Å; Y10-I14 HydrophobicContact CE2-CD1 4.14Å; Y10-I14 HydrophobicContact CG-CD1 4.15Å; Y10-I14 WeakPolarHBondContact O-CG1 3.32Å; Y10-I14 PolarHBondContact O-N 3.35Å; Y10-I14 VanDerWaalsContact O-N 3.08Å
11S63.4Low60.2Low77 Ų77123.2 Ų123.254%0.53862%0.624SS.*Hα-helixtrans-64.1-35.1177.6-55.50000113.1W15S11-W15 VanDerWaalsContact O-CB 3.3Å; S11-W15 WeakPolarHBondContact O-CB 3.26Å; S11-W15 PolarHBondContact O-N 3.38Å
12R63.6Low61.7Low166 Ų166117.1 Ų117.163%0.62660%0.596SS**Hα-helixtrans-64.2-39.5175.4-109.8179.5-176.5170.31.8112.1T9 Y10 K16T9-R12 PolarHBondContact O-N 2.89Å; Y10-R12 VanDerWaalsContact C-N 3.33Å; Y10-R12 PolarHBondContact O-N 3.14Å; R12-K16 WeakPolarHBondContact O-CB 3.1Å; R12-K16 WeakPolarHBondContact O-CG 3.36Å; R12-K16 PolarHBondContact O-N 3.08Å
13N63.6Low62.9Low91 Ų91115.5 Ų115.549%0.48757%0.573SS.*Hα-helixtrans-74.9-35.9-179.5-67.9-33.6000112.3T9 Y10 R17T9-N13 PolarHBondContact O-N 3.08Å; T9-N13 VanDerWaalsContact O-N 3.13Å; T9-N13 PolarHBondContact O-ND2 2.71Å; T9-N13 VanDerWaalsContact O-ND2 3.13Å; Y10-N13 PolarHBondContact O-N 3.01Å; N13-R17 WeakPolarHBondContact O-CG 3.49Å; N13-R17 PolarHBondContact O-N 3.26Å
14I72.6Confident63.5Low51 Ų51110.9 Ų110.926%0.26255%0.546SS..Hα-helixtrans-65.8-44.5173.1-64.5163.6000110.5Y10 R17 R18Y10-I14 HydrophobicContact CD1-CD1 3.59Å; Y10-I14 HydrophobicContact CD2-CD1 4.41Å; Y10-I14 HydrophobicContact CE1-CD1 3.28Å; Y10-I14 HydrophobicContact CE2-CD1 4.14Å; Y10-I14 HydrophobicContact CG-CD1 4.15Å; Y10-I14 WeakPolarHBondContact O-CG1 3.32Å; Y10-I14 PolarHBondContact O-N 3.35Å; Y10-I14 VanDerWaalsContact O-N 3.08Å; I14-R17 PolarHBondContact O-N 2.67Å; I14-R18 HydrophobicContact CG2-CG 4.36Å; I14-R18 WeakPolarHBondContact O-CG 3.42Å; I14-R18 PolarHBondContact O-N 3.36Å
15W62.4Low63.8Low176 Ų176111 Ų11167%0.66754%0.542SS*.Hα-helixtrans-63-44.217717930.9000111.5S11 R17 R18 V19S11-W15 VanDerWaalsContact O-CB 3.3Å; S11-W15 WeakPolarHBondContact O-CB 3.26Å; S11-W15 PolarHBondContact O-N 3.38Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.08Å; W15-R18 PolarHBondContact O-N 2.85Å; W15-V19 HydrophobicContact CG-CG2 4.32Å; W15-V19 WeakPolarHBondContact O-CB 3.25Å; W15-V19 VanDerWaalsContact O-CG2 3.23Å; W15-V19 WeakPolarHBondContact O-CG2 3.47Å; W15-V19 PolarHBondContact O-N 2.9Å
16K69.4Low64Low133 Ų133112.2 Ų112.258%0.57854%0.537SS*.Hα-helixtrans-58.1-41.3173.7-75.6172.1-179.6-169.40112.7R12 A20R12-K16 WeakPolarHBondContact O-CB 3.1Å; R12-K16 WeakPolarHBondContact O-CG 3.36Å; R12-K16 PolarHBondContact O-N 3.08Å; K16-A20 WeakPolarHBondContact O-CB 3.18Å; K16-A20 PolarHBondContact O-N 2.89Å
17R67.6Low64.7Low184 Ų184110.5 Ų110.569%0.69452%0.521SS*.Hα-helixtrans-65.3-47.2174.9-79.6174.960.6100.32.2112.1N13 I14 W15 V19 A20 D21N13-R17 WeakPolarHBondContact O-CG 3.49Å; N13-R17 PolarHBondContact O-N 3.26Å; I14-R17 PolarHBondContact O-N 2.67Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.08Å; R17-V19 VanDerWaalsContact C-N 3.34Å; R17-V19 PolarHBondContact O-N 3.41Å; R17-A20 PolarHBondContact O-N 2.85Å; R17-D21 PolarHBondContact O-N 3.44Å
18R72.3Confident65.2Low170 Ų170107.9 Ų107.964%0.64250%0.504SS*.Hα-helixtrans-64-37.8178.3-70.7177.6-177.41790.5112.4I14 W15 D21 L22I14-R18 HydrophobicContact CG2-CG 4.36Å; I14-R18 WeakPolarHBondContact O-CG 3.42Å; I14-R18 PolarHBondContact O-N 3.36Å; W15-R18 PolarHBondContact O-N 2.85Å; R18-D21 PolarHBondContact O-N 3.49Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 3.39Å
19V69.5Low65.7Low52 Ų52105.2 Ų105.232%0.31550%0.5SS..Hα-helixtrans-67.1-40.8174.8169.40000110.8W15 R17 L22 L23W15-V19 HydrophobicContact CG-CG2 4.32Å; W15-V19 WeakPolarHBondContact O-CB 3.25Å; W15-V19 VanDerWaalsContact O-CG2 3.23Å; W15-V19 WeakPolarHBondContact O-CG2 3.47Å; W15-V19 PolarHBondContact O-N 2.9Å; R17-V19 VanDerWaalsContact C-N 3.34Å; R17-V19 PolarHBondContact O-N 3.41Å; V19-L22 PolarHBondContact O-N 3.49Å; V19-L23 HydrophobicContact CG1-CD1 3.68Å; V19-L23 HydrophobicContact CG1-CG 4.28Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 2.81Å
20A66.6Low66.3Low34 Ų34104.7 Ų104.728%0.28150%0.495SS..Hα-helixtrans-63.7-41.317500000112.4K16 R17 L23 S24K16-A20 WeakPolarHBondContact O-CB 3.18Å; K16-A20 PolarHBondContact O-N 2.89Å; R17-A20 PolarHBondContact O-N 2.85Å; A20-L23 PolarHBondContact O-N 2.96Å; A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 PolarHBondContact O-OG 2.91Å
21D67.6Low67.5Low106 Ų10698.1 Ų98.157%0.56747%0.47SS*.Hα-helixtrans-66.8-34.6175.3-79.2-11.8000112.6R17 R18 S24 N25R17-D21 PolarHBondContact O-N 3.44Å; R18-D21 PolarHBondContact O-N 3.49Å; D21-S24 WeakPolarHBondContact CA-OG 3.42Å; D21-S24 PolarHBondContact O-OG 3.5Å; D21-N25 PolarHBondContact O-ND2 2.98Å
22L70.4Confident68.7Low115 Ų11594.7 Ų94.760%0.60245%0.446SS*.Hα-helixtrans-70.5-40.4174-73.8168.9000111.5R18 V19 F26R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 3.39Å; V19-L22 PolarHBondContact O-N 3.49Å; L22-F26 VanDerWaalsContact O-CD2 3.28Å; L22-F26 WeakPolarHBondContact O-CD2 3.34Å; L22-F26 WeakPolarHBondContact O-CE2 3.43Å
23L66.9Low69.9Low67 Ų6788.5 Ų88.535%0.35143%0.43SS..Hα-helixtrans-79.5-21.8-179.3-68.3175.1000113.5V19 A20 N25 F26 V54V19-L23 HydrophobicContact CG1-CD1 3.68Å; V19-L23 HydrophobicContact CG1-CG 4.28Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 2.81Å; A20-L23 PolarHBondContact O-N 2.96Å; L23-N25 PolarHBondContact O-N 2.62Å; L23-F26 PolarHBondContact O-N 2.84Å; L23-F26 VanDerWaalsContact O-N 3.1Å; L23-V54 HydrophobicContact CB-CG1 4.21Å
24S63Low71.1Confident39 Ų3989 Ų8927%0.27343%0.433SS..Hα-helixtrans-63.6-30.8175.357.10000112.3A20 D21 F26 I27A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 PolarHBondContact O-OG 2.91Å; D21-S24 WeakPolarHBondContact CA-OG 3.42Å; D21-S24 PolarHBondContact O-OG 3.5Å; S24-F26 PolarHBondContact O-N 3.44Å; S24-I27 PolarHBondContact O-N 3.36Å
25N61.7Low71.8Confident134 Ų13490.1 Ų90.172%0.71744%0.438SS*.THydrogen-bonded Turntrans-68.4-11176.1-61.2-28.8000113.2D21 L23D21-N25 PolarHBondContact O-ND2 2.98Å; L23-N25 PolarHBondContact O-N 2.62Å
26F62.8Low73Confident148 Ų14892.4 Ų92.465%0.64945%0.452SS*.THydrogen-bonded Turntrans-103.413.1177.5-65.4-85.8000113.3L22 L23 S24 P28 R61L22-F26 VanDerWaalsContact O-CD2 3.28Å; L22-F26 WeakPolarHBondContact O-CD2 3.34Å; L22-F26 WeakPolarHBondContact O-CE2 3.43Å; L23-F26 PolarHBondContact O-N 2.84Å; L23-F26 VanDerWaalsContact O-N 3.1Å; S24-F26 PolarHBondContact O-N 3.44Å; F26-P28 WeakPolarHBondContact O-CD 3.02Å; F26-R61 PolarHBondContact O-NH1 2.92Å
27I66.3Low73.8Confident18 Ų1889.8 Ų89.89%0.09245%0.445CS..SBendtrans-104.4104.4173.7-56.2171.8000107.6S24 E29 A32 Y40 V54 L57S24-I27 PolarHBondContact O-N 3.36Å; I27-E29 PolarHBondContact O-N 3.41Å; I27-A32 HydrophobicContact CG2-CB 3.72Å; I27-Y40 HydrophobicContact CD1-CD1 3.71Å; I27-Y40 HydrophobicContact CD1-CE1 3.44Å; I27-Y40 VanDerWaalsContact CD1-CE1 3.44Å; I27-V54 HydrophobicContact CD1-CG1 4.36Å; I27-L57 HydrophobicContact CD1-CD2 3.78Å; I27-L57 HydrophobicContact CG1-CD2 4.28Å; I27-L57 HydrophobicContact CG2-CD2 4.18Å
28P70.1Confident74.6Confident45 Ų4583.1 Ų83.129%0.29243%0.433SS..  trans-57.8133.7176.3-20.431.3000110.3F26 D30 E31 A32F26-P28 WeakPolarHBondContact O-CD 3.02Å; P28-D30 PolarHBondContact O-N 3.08Å; P28-D30 VanDerWaalsContact O-N 3.12Å; P28-E31 HydrophobicContact CB-CB 4.36Å; P28-E31 HydrophobicContact CB-CG 4.19Å; P28-E31 HydrophobicContact CG-CG 4.37Å; P28-E31 PolarHBondContact O-N 2.91Å; P28-A32 PolarHBondContact O-N 3.15Å
29E66.3Low75.5Confident161 Ų16180 Ų8075%0.75242%0.421SS*.THydrogen-bonded Turntrans-59-29.1-177.8-6677.4-171.700112I27 E31 L43I27-E29 PolarHBondContact O-N 3.41Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-L43 WeakPolarHBondContact O-CD1 3.32Å
30D70.8Confident76.5Confident67 Ų6778.4 Ų78.436%0.35841%0.41SS..THydrogen-bonded Turntrans-73.1-21.4178.5-78.4-13.3000112.9P28 K77P28-D30 PolarHBondContact O-N 3.08Å; P28-D30 VanDerWaalsContact O-N 3.12Å; D30-K77 IonicContact OD1-NZ 3.59Å; D30-K77 IonicContact OD2-NZ 2.85Å; D30-K77 PolarHBondContact OD2-NZ 3.09Å
31E80.9Confident77.7Confident26 Ų2677.8 Ų77.812%0.12140%0.402CS..THydrogen-bonded Turntrans-99.5-42.9-172.9-70.5-177.1-174.200113.4P28 E29 L43 V44 R61 L70P28-E31 HydrophobicContact CB-CB 4.36Å; P28-E31 HydrophobicContact CB-CG 4.19Å; P28-E31 HydrophobicContact CG-CG 4.37Å; P28-E31 PolarHBondContact O-N 2.91Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E31-L43 PolarHBondContact O-N 3.22Å; E31-V44 HydrophobicContact CB-CG2 4.33Å; E31-V44 HydrophobicContact CG-CG2 4.3Å; E31-R61 IonicContact OE2-CZ 3.81Å; E31-R61 IonicContact OE2-NE 2.67Å; E31-R61 PolarHBondContact OE2-NE 3.49Å; E31-R61 VanDerWaalsContact OE2-NE 3.13Å; E31-R61 IonicContact OE2-NH2 3.6Å; E31-R61 PolarHBondContact OE2-NH2 3.48Å; E31-L70 HydrophobicContact CG-CD1 3.93Å
32A88.7Confident78.9Confident5 Ų572.7 Ų72.74%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-150.8148.3-18000000111.7I27 P28 T41 L57I27-A32 HydrophobicContact CG2-CB 3.72Å; P28-A32 PolarHBondContact O-N 3.15Å; A32-T41 CarbonylContact C-O 3.44Å; A32-T41 WeakPolarHBondContact CA-O 3.39Å; A32-T41 WeakPolarHBondContact CB-O 3.24Å; A32-L57 HydrophobicContact CB-CD1 3.88Å; A32-L57 HydrophobicContact CB-CD2 3.87Å; A32-L57 HydrophobicContact CB-CG 4.46Å
33A88.6Confident79.9Confident36 Ų3669.2 Ų69.230%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-118.2140.4179.400000111.4Y40 T41 L43A33-Y40 CarbonylContact O-C 3.57Å; A33-Y40 WeakPolarHBondContact O-CA 3.35Å; A33-T41 HydrophobicContact CB-CG2 4.07Å; A33-T41 PolarHBondContact N-O 2.89Å; A33-T41 PolarHBondContact O-N 3.42Å; A33-L43 HydrophobicContact CB-CD1 4.25Å; A33-L43 HydrophobicContact CB-CD2 3.96Å; A33-L43 HydrophobicContact CB-CG 4.36Å
34L88.3Confident81Confident102 Ų10266.6 Ų66.653%0.53434%0.344SS..EExtended strand (participates in β ladder)trans-82.4122.8168.6-179.260.8000109.5Y40L34-Y40 HydrophobicContact CB-CD1 4.3Å; L34-Y40 HydrophobicContact CB-CE1 4.19Å; L34-Y40 HydrophobicContact CD1-CD1 4Å; L34-Y40 HydrophobicContact CD1-CD2 4.48Å; L34-Y40 HydrophobicContact CD1-CE1 3.71Å; L34-Y40 HydrophobicContact CD1-CE2 4.2Å; L34-Y40 HydrophobicContact CD1-CG 4.37Å; L34-Y40 HydrophobicContact CG-CE1 4.38Å
35M88.4Confident82.4Confident75 Ų7565.4 Ų65.437%0.36934%0.335SS..  trans-83.4159177.1-61.2177.876.800110.9N37 G38 R39 T41 V50M35-N37 WeakPolarHBondContact CB-OD1 3.26Å; M35-N37 PolarHBondContact O-N 3.44Å; M35-G38 PolarHBondContact O-N 2.87Å; M35-R39 WeakPolarHBondContact CB-O 3.37Å; M35-R39 PolarHBondContact N-O 3.47Å; M35-T41 HydrophobicContact CG-CG2 4.01Å; M35-T41 HydrophobicContact SD-CG2 4.39Å; M35-V50 HydrophobicContact SD-CG1 4.25Å; M35-V50 HydrophobicContact SD-CG2 4.35Å
36K87Confident83.6Confident223 Ų22364 Ų6497%0.9734%0.336SS*.THydrogen-bonded Turntrans-57.1-19.117663.9179.3177.1-179.40115.6G38K36-G38 VanDerWaalsContact C-N 3.28Å
37N86.7Confident84.7Confident78 Ų7867.2 Ų67.242%0.41735%0.345SS..THydrogen-bonded Turntrans-85.82.7176.559.911.8000112.8M35 R39M35-N37 WeakPolarHBondContact CB-OD1 3.26Å; M35-N37 PolarHBondContact O-N 3.44Å; N37-R39 VanDerWaalsContact C-N 3.33Å; N37-R39 PolarHBondContact ND2-NE 2.84Å; N37-R39 VanDerWaalsContact ND2-NE 3.14Å; N37-R39 PolarHBondContact ND2-NH2 3.49Å; N37-R39 WeakPolarHBondContact OD1-CB 3.38Å; N37-R39 PolarHBondContact OD1-N 2.94Å
38G84.1Confident85.9Confident44 Ų4472.4 Ų72.445%0.45436%0.364SS..SBendtrans80.87.9-177.900000114.7M35 K36M35-G38 PolarHBondContact O-N 2.87Å; K36-G38 VanDerWaalsContact C-N 3.28Å
39R90.2Very high87Confident105 Ų10572.1 Ų72.140%0.39636%0.362SS..  trans-99.5152.5177.1-58.3-171-65.4-171.34111.7M35 N37 V50 D52M35-R39 WeakPolarHBondContact CB-O 3.37Å; M35-R39 PolarHBondContact N-O 3.47Å; N37-R39 VanDerWaalsContact C-N 3.33Å; N37-R39 PolarHBondContact ND2-NE 2.84Å; N37-R39 VanDerWaalsContact ND2-NE 3.14Å; N37-R39 PolarHBondContact ND2-NH2 3.49Å; N37-R39 WeakPolarHBondContact OD1-CB 3.38Å; N37-R39 PolarHBondContact OD1-N 2.94Å; R39-V50 HydrophobicContact CB-CG1 3.71Å; R39-V50 HydrophobicContact CG-CG1 4.5Å; R39-D52 WeakPolarHBondContact CD-OD1 3.07Å
40Y90.4Very high88.3Confident19 Ų1967.6 Ų67.68%0.07535%0.345CS..EExtended strand (participates in β ladder)trans-97.4140.1179.8-59.7-88.7000111.1I27 A33 L34 V50 F51 V54 L57I27-Y40 HydrophobicContact CD1-CD1 3.71Å; I27-Y40 HydrophobicContact CD1-CE1 3.44Å; I27-Y40 VanDerWaalsContact CD1-CE1 3.44Å; A33-Y40 CarbonylContact O-C 3.57Å; A33-Y40 WeakPolarHBondContact O-CA 3.35Å; L34-Y40 HydrophobicContact CB-CD1 4.3Å; L34-Y40 HydrophobicContact CB-CE1 4.19Å; L34-Y40 HydrophobicContact CD1-CD1 4Å; L34-Y40 HydrophobicContact CD1-CD2 4.48Å; L34-Y40 HydrophobicContact CD1-CE1 3.71Å; L34-Y40 HydrophobicContact CD1-CE2 4.2Å; L34-Y40 HydrophobicContact CD1-CG 4.37Å; L34-Y40 HydrophobicContact CG-CE1 4.38Å; Y40-V50 CarbonylContact O-C 3.47Å; Y40-V50 VanDerWaalsContact O-CA 3.22Å; Y40-V50 WeakPolarHBondContact O-CA 3.34Å; Y40-F51 PolarHBondContact N-O 3.41Å; Y40-F51 PolarHBondContact O-N 3.43Å; Y40-V54 HydrophobicContact CD2-CG2 4.45Å; Y40-V54 HydrophobicContact CE1-CG2 4.17Å; Y40-V54 HydrophobicContact CE2-CG2 3.57Å; Y40-V54 VanDerWaalsContact OH-CG2 3.23Å; Y40-V54 WeakPolarHBondContact OH-CG2 3.35Å; Y40-L57 HydrophobicContact CD1-CD2 4.02Å; Y40-L57 HydrophobicContact CG-CD2 4.03Å
41T93Very high89.2Confident20 Ų2065.6 Ų65.612%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-123.1134.7173.3-177.90000110.8A32 A33 M35 L43 P49A32-T41 CarbonylContact C-O 3.44Å; A32-T41 WeakPolarHBondContact CA-O 3.39Å; A32-T41 WeakPolarHBondContact CB-O 3.24Å; A33-T41 HydrophobicContact CB-CG2 4.07Å; A33-T41 PolarHBondContact N-O 2.89Å; A33-T41 PolarHBondContact O-N 3.42Å; M35-T41 HydrophobicContact CG-CG2 4.01Å; M35-T41 HydrophobicContact SD-CG2 4.39Å; T41-L43 HydrophobicContact CG2-CD2 4.14Å; T41-P49 WeakPolarHBondContact CA-O 3.39Å; T41-P49 PolarHBondContact OG1-O 3.1Å
42C92.1Very high89.7Confident0 Ų069.5 Ų69.50%036%0.355CS..EExtended strand (participates in β ladder)trans-80.5126.3175.7175.30000110.5R48 P49 F51 H60 H66C42-R48 VanDerWaalsContact O-CA 3.32Å; C42-R48 WeakPolarHBondContact O-CA 3.28Å; C42-P49 HydrophobicContact CB-CG 3.98Å; C42-P49 PolarHBondContact N-O 2.83Å; C42-F51 HydrophobicContact CB-CE2 4.33Å; C42-H60 PolarHBondContact SG-NE2 2.96Å; C42-H66 PolarHBondContact SG-ND1 3.08Å
43L91.1Very high89.6Confident41 Ų4172.1 Ų72.122%0.21537%0.371CS..SBendtrans-89.7-18.5-178.6-51.8-177.7000113.1E29 E31 A33 T41 R48E29-L43 WeakPolarHBondContact O-CD1 3.32Å; E31-L43 PolarHBondContact O-N 3.22Å; A33-L43 HydrophobicContact CB-CD1 4.25Å; A33-L43 HydrophobicContact CB-CD2 3.96Å; A33-L43 HydrophobicContact CB-CG 4.36Å; T41-L43 HydrophobicContact CG2-CD2 4.14Å; L43-R48 PolarHBondContact O-NH1 3.09Å
44V91.4Very high89.4Confident13 Ų1371.2 Ų71.28%0.07936%0.361CS..SBendtrans-82.2-40.5-173.8175.50000112.1E31 L70E31-V44 HydrophobicContact CB-CG2 4.33Å; E31-V44 HydrophobicContact CG-CG2 4.3Å; V44-L70 HydrophobicContact CB-CD1 4.35Å; V44-L70 VanDerWaalsContact CG1-CA 3.4Å; V44-L70 HydrophobicContact CG1-CB 3.9Å; V44-L70 HydrophobicContact CG1-CD1 3.83Å; V44-L70 HydrophobicContact CG2-CD1 3.63Å
45C91.3Very high89.3Confident13 Ų1371.8 Ų71.89%0.08837%0.365CS..SBendtrans-73.4138.5-180-740000111Y47 R48 P49 H60C45-Y47 VanDerWaalsContact C-N 3.27Å; C45-Y47 PolarHBondContact O-N 2.94Å; C45-R48 WeakPolarHBondContact O-CG 3.46Å; C45-R48 PolarHBondContact O-N 2.93Å; C45-P49 HydrophobicContact CB-CG 4.35Å; C45-H60 PolarHBondContact SG-CE1 3.44Å; C45-H60 PolarHBondContact SG-NE2 2.82Å
46S86.4Confident89.4Confident105 Ų10573.1 Ų73.173%0.73437%0.372SS*.THydrogen-bonded Turntrans-55.6-38.3-17952.60000113.8
47Y87.4Confident89.5Confident216 Ų21662.5 Ų62.585%0.84733%0.325SS*.THydrogen-bonded Turntrans-901.8-178.4-57.9-79.2000114.1C45C45-Y47 VanDerWaalsContact C-N 3.27Å; C45-Y47 PolarHBondContact O-N 2.94Å
48R90.7Very high89.5Confident126 Ų12661.1 Ų61.148%0.47532%0.32SS..  trans42.163.2176.9-55.6-174.896.283.8-9.8115C42 L43 C45C42-R48 VanDerWaalsContact O-CA 3.32Å; C42-R48 WeakPolarHBondContact O-CA 3.28Å; L43-R48 PolarHBondContact O-NH1 3.09Å; C45-R48 WeakPolarHBondContact O-CG 3.46Å; C45-R48 PolarHBondContact O-N 2.93Å
49P93.1Very high89.9Confident40 Ų4064 Ų6426%0.2633%0.329SS..  trans-60.6149.6-179.326.3-33.6000112.1T41 C42 C45 F51T41-P49 WeakPolarHBondContact CA-O 3.39Å; T41-P49 PolarHBondContact OG1-O 3.1Å; C42-P49 HydrophobicContact CB-CG 3.98Å; C42-P49 PolarHBondContact N-O 2.83Å; C45-P49 HydrophobicContact CB-CG 4.35Å; P49-F51 HydrophobicContact CB-CE2 3.91Å; P49-F51 HydrophobicContact CB-CZ 3.74Å; P49-F51 HydrophobicContact CG-CE2 3.81Å; P49-F51 HydrophobicContact CG-CZ 3.81Å
50V93.3Very high90Very high65 Ų6560.8 Ų60.839%0.39432%0.318SS..EExtended strand (participates in β ladder)trans-111.3136.1178.6-178.20000109.5M35 R39 Y40M35-V50 HydrophobicContact SD-CG1 4.25Å; M35-V50 HydrophobicContact SD-CG2 4.35Å; R39-V50 HydrophobicContact CB-CG1 3.71Å; R39-V50 HydrophobicContact CG-CG1 4.5Å; Y40-V50 CarbonylContact O-C 3.47Å; Y40-V50 VanDerWaalsContact O-CA 3.22Å; Y40-V50 WeakPolarHBondContact O-CA 3.34Å
51F91.1Very high90Very high26 Ų2662.7 Ų62.711%0.11433%0.325CS..EExtended strand (participates in β ladder)trans-125.5138.5-176.7-57.4-77.9000110.7Y40 C42 P49 M56 L57 H60Y40-F51 PolarHBondContact N-O 3.41Å; Y40-F51 PolarHBondContact O-N 3.43Å; C42-F51 HydrophobicContact CB-CE2 4.33Å; P49-F51 HydrophobicContact CB-CE2 3.91Å; P49-F51 HydrophobicContact CB-CZ 3.74Å; P49-F51 HydrophobicContact CG-CE2 3.81Å; P49-F51 HydrophobicContact CG-CZ 3.81Å; F51-M56 HydrophobicContact CB-CB 4.34Å; F51-M56 HydrophobicContact CD1-CB 3.93Å; F51-M56 HydrophobicContact CD1-CE 4.43Å; F51-M56 HydrophobicContact CG-CB 4.48Å; F51-L57 HydrophobicContact CB-CB 4.32Å; F51-L57 HydrophobicContact CD2-CB 4.23Å; F51-L57 HydrophobicContact CD2-CD1 3.69Å; F51-L57 HydrophobicContact CE2-CD1 4.01Å; F51-L57 HydrophobicContact CG-CB 4.34Å; F51-H60 HydrophobicContact CE1-CB 3.89Å; F51-H60 HydrophobicContact CE2-CB 3.86Å; F51-H60 AromaticContact CE2-CD2 3.61Å; F51-H60 AromaticContact CE2-CG 3.6Å; F51-H60 HydrophobicContact CZ-CB 3.38Å; F51-H60 AromaticContact CZ-CD2 3.72Å; F51-H60 AromaticContact CZ-CG 3.22Å; F51-H60 AromaticContact CZ-ND1 3.51Å
52D90.2Very high89.8Confident108 Ų10868.6 Ų68.658%0.57835%0.351SS*.SBendtrans-83.2-23.1-179.5-61.2-42.4000112.8R39R39-D52 WeakPolarHBondContact CD-OD1 3.07Å
53T87.6Confident89.8Confident60 Ų6069.9 Ų69.937%0.36836%0.364SS..SBendtrans-129.8155-179.9700000112.5D55 M56 L57T53-D55 VanDerWaalsContact C-N 3.28Å; T53-D55 PolarHBondContact O-N 3.06Å; T53-M56 PolarHBondContact O-N 2.87Å; T53-M56 WeakPolarHBondContact OG1-CG 3.25Å; T53-M56 PolarHBondContact OG1-N 3.45Å; T53-L57 PolarHBondContact O-N 2.74Å
54V84Confident89.9Confident16 Ų1676.3 Ų76.310%0.09739%0.39CS..Hα-helixtrans-63.6-35.1175.3-178.30000111.4L23 I27 Y40 M56 L57 T58L23-V54 HydrophobicContact CB-CG1 4.21Å; I27-V54 HydrophobicContact CD1-CG1 4.36Å; Y40-V54 HydrophobicContact CD2-CG2 4.45Å; Y40-V54 HydrophobicContact CE1-CG2 4.17Å; Y40-V54 HydrophobicContact CE2-CG2 3.57Å; Y40-V54 VanDerWaalsContact OH-CG2 3.23Å; Y40-V54 WeakPolarHBondContact OH-CG2 3.35Å; V54-M56 PolarHBondContact O-N 3.32Å; V54-L57 WeakPolarHBondContact O-CB 3.37Å; V54-L57 PolarHBondContact O-N 2.9Å; V54-T58 WeakPolarHBondContact O-CB 3.33Å; V54-T58 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-OG1 3.22Å
55D86.2Confident89.9Confident114 Ų11484.3 Ų84.361%0.6142%0.424SS*.Hα-helixtrans-62.3-45.6-179.9-59-36.4000111.3T53 L57 T58 V59T53-D55 VanDerWaalsContact C-N 3.28Å; T53-D55 PolarHBondContact O-N 3.06Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.23Å; D55-T58 WeakPolarHBondContact O-CB 2.85Å; D55-T58 PolarHBondContact O-N 2.96Å; D55-V59 PolarHBondContact O-N 3.48Å; D55-V59 VanDerWaalsContact O-N 3.09Å
56M89.9Confident90Very high104 Ų10483.8 Ų83.851%0.51242%0.421SS..Hα-helixtrans-64.2-39.8176.5-71.3-176.17100112F51 T53 V54 T58 V59 H60F51-M56 HydrophobicContact CB-CB 4.34Å; F51-M56 HydrophobicContact CD1-CB 3.93Å; F51-M56 HydrophobicContact CD1-CE 4.43Å; F51-M56 HydrophobicContact CG-CB 4.48Å; T53-M56 PolarHBondContact O-N 2.87Å; T53-M56 WeakPolarHBondContact OG1-CG 3.25Å; T53-M56 PolarHBondContact OG1-N 3.45Å; V54-M56 PolarHBondContact O-N 3.32Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 3.43Å; M56-V59 PolarHBondContact O-N 2.97Å; M56-H60 WeakPolarHBondContact O-CB 3.2Å; M56-H60 PolarHBondContact O-N 3.41Å
57L88.9Confident90.3Very high0 Ų083.1 Ų83.10%041%0.408CS..Hα-helixtrans-61.9-40.7174.1176.167.1000111.2I27 A32 Y40 F51 T53 V54 D55 H60 R61I27-L57 HydrophobicContact CD1-CD2 3.78Å; I27-L57 HydrophobicContact CG1-CD2 4.28Å; I27-L57 HydrophobicContact CG2-CD2 4.18Å; A32-L57 HydrophobicContact CB-CD1 3.88Å; A32-L57 HydrophobicContact CB-CD2 3.87Å; A32-L57 HydrophobicContact CB-CG 4.46Å; Y40-L57 HydrophobicContact CD1-CD2 4.02Å; Y40-L57 HydrophobicContact CG-CD2 4.03Å; F51-L57 HydrophobicContact CB-CB 4.32Å; F51-L57 HydrophobicContact CD2-CB 4.23Å; F51-L57 HydrophobicContact CD2-CD1 3.69Å; F51-L57 HydrophobicContact CE2-CD1 4.01Å; F51-L57 HydrophobicContact CG-CB 4.34Å; T53-L57 PolarHBondContact O-N 2.74Å; V54-L57 WeakPolarHBondContact O-CB 3.37Å; V54-L57 PolarHBondContact O-N 2.9Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.23Å; L57-H60 WeakPolarHBondContact O-CB 3.28Å; L57-H60 PolarHBondContact O-N 3.41Å; L57-H60 VanDerWaalsContact O-N 3.15Å; L57-R61 HydrophobicContact CD1-CG 4.46Å; L57-R61 HydrophobicContact CG-CG 4.45Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 3.35Å
58T88.1Confident90.6Very high49 Ų4979.3 Ų79.330%0.30140%0.398SS..Hα-helixtrans-63.1-45.2-179.4-58.70000111.3V54 D55 M56 H60 R61 Q62V54-T58 WeakPolarHBondContact O-CB 3.33Å; V54-T58 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-OG1 3.22Å; D55-T58 WeakPolarHBondContact O-CB 2.85Å; D55-T58 PolarHBondContact O-N 2.96Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 3.43Å; T58-H60 VanDerWaalsContact C-N 3.29Å; T58-H60 PolarHBondContact O-N 3.26Å; T58-R61 PolarHBondContact O-N 2.92Å; T58-Q62 PolarHBondContact O-N 2.86Å
59V91.3Very high90.6Very high105 Ų10574.2 Ų74.264%0.63639%0.385SS*.Hα-helixtrans-61.5-40.3173.5175.50000111D55 M56 R61 Q62 G63D55-V59 PolarHBondContact O-N 3.48Å; D55-V59 VanDerWaalsContact O-N 3.09Å; M56-V59 PolarHBondContact O-N 2.97Å; V59-R61 PolarHBondContact O-N 3.15Å; V59-Q62 PolarHBondContact O-N 3.45Å; V59-G63 PolarHBondContact O-N 2.87Å
60H92.9Very high90.5Very high37 Ų3773.8 Ų73.817%0.17138%0.38CS..Hα-helixtrans-62.1-41.9176.5174.473.6000113C42 C45 F51 M56 L57 T58 Q62 G63 H66C42-H60 PolarHBondContact SG-NE2 2.96Å; C45-H60 PolarHBondContact SG-CE1 3.44Å; C45-H60 PolarHBondContact SG-NE2 2.82Å; F51-H60 HydrophobicContact CE1-CB 3.89Å; F51-H60 HydrophobicContact CE2-CB 3.86Å; F51-H60 AromaticContact CE2-CD2 3.61Å; F51-H60 AromaticContact CE2-CG 3.6Å; F51-H60 HydrophobicContact CZ-CB 3.38Å; F51-H60 AromaticContact CZ-CD2 3.72Å; F51-H60 AromaticContact CZ-CG 3.22Å; F51-H60 AromaticContact CZ-ND1 3.51Å; M56-H60 WeakPolarHBondContact O-CB 3.2Å; M56-H60 PolarHBondContact O-N 3.41Å; L57-H60 WeakPolarHBondContact O-CB 3.28Å; L57-H60 PolarHBondContact O-N 3.41Å; L57-H60 VanDerWaalsContact O-N 3.15Å; T58-H60 VanDerWaalsContact C-N 3.29Å; T58-H60 PolarHBondContact O-N 3.26Å; H60-Q62 PolarHBondContact O-N 2.9Å; H60-G63 WeakPolarHBondContact O-CA 3.39Å; H60-G63 PolarHBondContact O-N 3.41Å; H60-H66 AromaticContact CD2-ND1 3.83Å; H60-H66 AromaticContact NE2-ND1 3.62Å; H60-H66 VanDerWaalsContact O-CB 3.25Å; H60-H66 WeakPolarHBondContact O-CB 3.24Å
61R90.1Very high90.5Very high59 Ų5979.2 Ų79.222%0.22340%0.398CS..Hα-helixtrans-60.1-35.5178.5-71.2168.972.4-166.22.5112.1F26 E31 L57 T58 V59 G63 H66F26-R61 PolarHBondContact O-NH1 2.92Å; E31-R61 IonicContact OE2-CZ 3.81Å; E31-R61 IonicContact OE2-NE 2.67Å; E31-R61 PolarHBondContact OE2-NE 3.49Å; E31-R61 VanDerWaalsContact OE2-NE 3.13Å; E31-R61 IonicContact OE2-NH2 3.6Å; E31-R61 PolarHBondContact OE2-NH2 3.48Å; L57-R61 HydrophobicContact CD1-CG 4.46Å; L57-R61 HydrophobicContact CG-CG 4.45Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 3.35Å; T58-R61 PolarHBondContact O-N 2.92Å; V59-R61 PolarHBondContact O-N 3.15Å; R61-G63 PolarHBondContact O-N 2.94Å; R61-H66 PolarHBondContact O-CD2 3.48Å
62Q88.8Confident90.5Very high143 Ų14380.3 Ų80.367%0.66841%0.413SS*.THydrogen-bonded Turntrans-79.9-5.1176.3-63.716713.800112.8T58 V59 H60T58-Q62 PolarHBondContact O-N 2.86Å; V59-Q62 PolarHBondContact O-N 3.45Å; H60-Q62 PolarHBondContact O-N 2.9Å
63G91.9Very high90.6Very high27 Ų2778.9 Ų78.928%0.27840%0.401SS..SBendtrans-73.9144.5-178.900000113.5V59 H60 R61 K65 H66 L67V59-G63 PolarHBondContact O-N 2.87Å; H60-G63 WeakPolarHBondContact O-CA 3.39Å; H60-G63 PolarHBondContact O-N 3.41Å; R61-G63 PolarHBondContact O-N 2.94Å; G63-K65 VanDerWaalsContact C-N 3.33Å; G63-K65 PolarHBondContact O-N 3.03Å; G63-H66 WeakPolarHBondContact O-CB 3.47Å; G63-H66 PolarHBondContact O-N 3.28Å; G63-L67 PolarHBondContact O-N 3.08Å
64K93.4Very high90.7Very high176 Ų17679.9 Ų79.977%0.76540%0.399SS*.Hα-helixtrans-53.7-44.1-178.8-174.3178.6179.3-178.50113.9H66 L67 E68K64-H66 VanDerWaalsContact C-N 3.29Å; K64-H66 PolarHBondContact O-N 3.41Å; K64-L67 PolarHBondContact O-N 3.3Å; K64-E68 WeakPolarHBondContact O-CB 3.49Å; K64-E68 PolarHBondContact O-N 3.37Å
65K92.1Very high91.1Very high181 Ų18180.6 Ų80.679%0.78741%0.409SS*.Hα-helixtrans-61.9-38.7178.9-68.5-177.8178.8178.40111.9G63 G69G63-K65 VanDerWaalsContact C-N 3.33Å; G63-K65 PolarHBondContact O-N 3.03Å; K65-G69 PolarHBondContact O-N 3.44Å; K65-G69 VanDerWaalsContact O-N 3.09Å
66H93.6Very high91.4Very high3 Ų382.4 Ų82.41%0.01441%0.412CS..Hα-helixtrans-67.7-50.6177-179.592.7000110.4C42 H60 R61 G63 K64 E68 G69 L70C42-H66 PolarHBondContact SG-ND1 3.08Å; H60-H66 AromaticContact CD2-ND1 3.83Å; H60-H66 AromaticContact NE2-ND1 3.62Å; H60-H66 VanDerWaalsContact O-CB 3.25Å; H60-H66 WeakPolarHBondContact O-CB 3.24Å; R61-H66 PolarHBondContact O-CD2 3.48Å; G63-H66 WeakPolarHBondContact O-CB 3.47Å; G63-H66 PolarHBondContact O-N 3.28Å; K64-H66 VanDerWaalsContact C-N 3.29Å; K64-H66 PolarHBondContact O-N 3.41Å; H66-E68 VanDerWaalsContact C-N 3.32Å; H66-E68 PolarHBondContact O-N 2.89Å; H66-G69 CarbonylContact O-C 3.5Å; H66-G69 WeakPolarHBondContact O-CA 3.44Å; H66-G69 PolarHBondContact O-N 2.86Å; H66-G69 VanDerWaalsContact O-N 3.1Å; H66-L70 WeakPolarHBondContact O-CB 3.45Å; H66-L70 PolarHBondContact O-N 3.06Å
67L91.6Very high91.5Very high91 Ų9181 Ų8148%0.47640%0.403SS..Hα-helixtrans-59.6-39.7-179.6-64178.1000113.1G63 K64 L70 K71G63-L67 PolarHBondContact O-N 3.08Å; K64-L67 PolarHBondContact O-N 3.3Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.27Å; L67-K71 PolarHBondContact O-N 2.92Å
68E93.4Very high91.7Very high136 Ų13683.3 Ų83.364%0.63642%0.422SS*.Hα-helixtrans-65.4-44.8174.4-174.4173.9-174.600111.6K64 H66 L70 K71 A72K64-E68 WeakPolarHBondContact O-CB 3.49Å; K64-E68 PolarHBondContact O-N 3.37Å; H66-E68 VanDerWaalsContact C-N 3.32Å; H66-E68 PolarHBondContact O-N 2.89Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.47Å; E68-K71 PolarHBondContact O-N 2.98Å; E68-A72 PolarHBondContact O-N 3.24Å; E68-A72 VanDerWaalsContact O-N 3.07Å
69G91.6Very high92.1Very high19 Ų1987.8 Ų87.820%0.19644%0.437CS..Hα-helixtrans-58.7-39171.900000112.4K65 H66 A72 F73K65-G69 PolarHBondContact O-N 3.44Å; K65-G69 VanDerWaalsContact O-N 3.09Å; H66-G69 CarbonylContact O-C 3.5Å; H66-G69 WeakPolarHBondContact O-CA 3.44Å; H66-G69 PolarHBondContact O-N 2.86Å; H66-G69 VanDerWaalsContact O-N 3.1Å; G69-A72 PolarHBondContact O-N 2.89Å; G69-F73 VanDerWaalsContact O-CB 3.24Å; G69-F73 WeakPolarHBondContact O-CB 3.43Å; G69-F73 PolarHBondContact O-N 2.94Å
70L91.6Very high92.3Very high31 Ų3187.2 Ų87.216%0.16243%0.43CS..Hα-helixtrans-65-48.5-178.7-162.170.9000110.5E31 V44 H66 L67 E68 A72 F73 Y74E31-L70 HydrophobicContact CG-CD1 3.93Å; V44-L70 HydrophobicContact CB-CD1 4.35Å; V44-L70 VanDerWaalsContact CG1-CA 3.4Å; V44-L70 HydrophobicContact CG1-CB 3.9Å; V44-L70 HydrophobicContact CG1-CD1 3.83Å; V44-L70 HydrophobicContact CG2-CD1 3.63Å; H66-L70 WeakPolarHBondContact O-CB 3.45Å; H66-L70 PolarHBondContact O-N 3.06Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.27Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.47Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.28Å; L70-F73 PolarHBondContact O-N 3.44Å; L70-Y74 HydrophobicContact CD1-CD2 3.98Å; L70-Y74 HydrophobicContact CD1-CE2 3.41Å; L70-Y74 VanDerWaalsContact CD1-CE2 3.41Å; L70-Y74 HydrophobicContact CD2-CE2 4.43Å; L70-Y74 HydrophobicContact CG-CD2 3.82Å; L70-Y74 HydrophobicContact CG-CE2 3.66Å; L70-Y74 WeakPolarHBondContact O-CD2 3.24Å; L70-Y74 PolarHBondContact O-N 3.39Å
71K91.9Very high92.4Very high178 Ų17891.8 Ų91.877%0.77445%0.449SS*.Hα-helixtrans-58.5-43.6174.9-174.3178-178.7178.10111.4L67 E68 G75L67-K71 PolarHBondContact O-N 2.92Å; E68-K71 PolarHBondContact O-N 2.98Å; K71-G75 WeakPolarHBondContact O-CA 3.26Å; K71-G75 PolarHBondContact O-N 3.04Å
72A91.4Very high92.6Very high50 Ų5094.4 Ų94.441%0.41347%0.468SS..Hα-helixtrans-67.8-41.517800000112.3E68 G69 L70 G75 K76E68-A72 PolarHBondContact O-N 3.24Å; E68-A72 VanDerWaalsContact O-N 3.07Å; G69-A72 PolarHBondContact O-N 2.89Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.28Å; A72-G75 PolarHBondContact O-N 3.03Å; A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 VanDerWaalsContact O-CG 3.28Å; A72-K76 WeakPolarHBondContact O-CG 3.43Å; A72-K76 PolarHBondContact O-N 3.42Å
73F91.7Very high93.1Very high77 Ų7792.3 Ų92.334%0.33846%0.458SS..Hα-helixtrans-63.8-52.9-179.3-178.6-102.5000111.4G69 L70 G75 K76 K77G69-F73 VanDerWaalsContact O-CB 3.24Å; G69-F73 WeakPolarHBondContact O-CB 3.43Å; G69-F73 PolarHBondContact O-N 2.94Å; L70-F73 PolarHBondContact O-N 3.44Å; F73-G75 VanDerWaalsContact C-N 3.34Å; F73-G75 PolarHBondContact O-N 2.65Å; F73-K76 PolarHBondContact O-N 3.09Å; F73-K77 PolarHBondContact O-N 3.23Å
74Y90.7Very high93.3Very high82 Ų8294.4 Ų94.432%0.32246%0.462SS..Hα-helixtrans-69.5-32.9176.9-71.3-65.1000112.6L70 K76 K77 A78L70-Y74 HydrophobicContact CD1-CD2 3.98Å; L70-Y74 HydrophobicContact CD1-CE2 3.41Å; L70-Y74 VanDerWaalsContact CD1-CE2 3.41Å; L70-Y74 HydrophobicContact CD2-CE2 4.43Å; L70-Y74 HydrophobicContact CG-CD2 3.82Å; L70-Y74 HydrophobicContact CG-CE2 3.66Å; L70-Y74 WeakPolarHBondContact O-CD2 3.24Å; L70-Y74 PolarHBondContact O-N 3.39Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.42Å; Y74-K77 HydrophobicContact CD1-CD 4.3Å; Y74-K77 PolarHBondContact O-N 3.29Å; Y74-A78 WeakPolarHBondContact O-CB 3.39Å; Y74-A78 PolarHBondContact O-N 2.9Å
75G92.8Very high93.4Very high30 Ų3089.3 Ų89.331%0.30945%0.448SS..Hα-helixtrans-58.7-42.4171.500000112.2K71 A72 F73 K79K71-G75 WeakPolarHBondContact O-CA 3.26Å; K71-G75 PolarHBondContact O-N 3.04Å; A72-G75 PolarHBondContact O-N 3.03Å; F73-G75 VanDerWaalsContact C-N 3.34Å; F73-G75 PolarHBondContact O-N 2.65Å; G75-K79 VanDerWaalsContact O-CG 3.26Å; G75-K79 WeakPolarHBondContact O-CG 3.41Å; G75-K79 PolarHBondContact O-N 3.34Å; G75-K79 VanDerWaalsContact O-N 3.1Å
76K92.1Very high93.6Very high153 Ų15386.9 Ų86.967%0.66544%0.438SS*.Hα-helixtrans-68.3-44.5174.1-71.8171.7-175.7179.60112A72 F73 Y74 A78 K79 L80A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 VanDerWaalsContact O-CG 3.28Å; A72-K76 WeakPolarHBondContact O-CG 3.43Å; A72-K76 PolarHBondContact O-N 3.42Å; F73-K76 PolarHBondContact O-N 3.09Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.42Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 3.47Å; K76-K79 PolarHBondContact O-N 3.47Å; K76-L80 WeakPolarHBondContact O-CB 3.4Å; K76-L80 PolarHBondContact O-N 3.28Å
77K91.8Very high93.7Very high74 Ų7493 Ų9332%0.32246%0.461SS..Hα-helixtrans-58.2-43.5177.2-171171.4179.71710111.3D30 F73 Y74 K81D30-K77 IonicContact OD1-NZ 3.59Å; D30-K77 IonicContact OD2-NZ 2.85Å; D30-K77 PolarHBondContact OD2-NZ 3.09Å; F73-K77 PolarHBondContact O-N 3.23Å; Y74-K77 HydrophobicContact CD1-CD 4.3Å; Y74-K77 PolarHBondContact O-N 3.29Å; K77-K81 WeakPolarHBondContact O-CG 3.47Å; K77-K81 PolarHBondContact O-N 3.32Å
78A93.6Very high93.9Very high49 Ų4994.5 Ų94.541%0.40547%0.465SS..Hα-helixtrans-66.2-45.6176.800000112.5Y74 K76 L80 K81 N82Y74-A78 WeakPolarHBondContact O-CB 3.39Å; Y74-A78 PolarHBondContact O-N 2.9Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 3.47Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.22Å; A78-K81 PolarHBondContact O-N 3.06Å; A78-N82 PolarHBondContact O-N 3.01Å
79K95Very high94.1Very high143 Ų14393.4 Ų93.462%0.62246%0.46SS*.Hα-helixtrans-57.8-46.5175.5-75.5175.9-177.8-172.10111.9G75 K76 K81 N82 E83G75-K79 VanDerWaalsContact O-CG 3.26Å; G75-K79 WeakPolarHBondContact O-CG 3.41Å; G75-K79 PolarHBondContact O-N 3.34Å; G75-K79 VanDerWaalsContact O-N 3.1Å; K76-K79 PolarHBondContact O-N 3.47Å; K79-K81 PolarHBondContact O-N 3.31Å; K79-N82 PolarHBondContact O-N 2.92Å; K79-E83 WeakPolarHBondContact O-CG 3.44Å; K79-E83 PolarHBondContact O-N 3.41Å
80L95.4Very high94.2Very high93 Ų9396.4 Ų96.449%0.48747%0.469SS..Hα-helixtrans-61.6-44.2178.3-178.562.7000111.7K76 A78 N82 E83 I84K76-L80 WeakPolarHBondContact O-CB 3.4Å; K76-L80 PolarHBondContact O-N 3.28Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.22Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 2.97Å; L80-E83 PolarHBondContact O-N 3.41Å; L80-I84 HydrophobicContact CD1-CD1 4.16Å; L80-I84 HydrophobicContact CD1-CG1 4.36Å; L80-I84 HydrophobicContact CG-CD1 3.88Å; L80-I84 HydrophobicContact CG-CG1 4.5Å; L80-I84 VanDerWaalsContact O-CG1 3.25Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.45Å
81K95.4Very high94.3Very high132 Ų13299.6 Ų99.657%0.57449%0.486SS*.Hα-helixtrans-58.7-44175.1-75.8-177.2176.5-168.70112.1K77 A78 K79 I84 S85K77-K81 WeakPolarHBondContact O-CG 3.47Å; K77-K81 PolarHBondContact O-N 3.32Å; A78-K81 PolarHBondContact O-N 3.06Å; K79-K81 PolarHBondContact O-N 3.31Å; K81-I84 PolarHBondContact O-N 2.86Å; K81-S85 WeakPolarHBondContact O-CB 3.49Å; K81-S85 PolarHBondContact O-N 2.96Å
82N95.9Very high94.4Very high115 Ų11597.2 Ų97.262%0.61547%0.473SS*.Hα-helixtrans-64.1-42.3177.3-70.6-18.8000112A78 K79 L80 S85 K86A78-N82 PolarHBondContact O-N 3.01Å; K79-N82 PolarHBondContact O-N 2.92Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 2.97Å; N82-S85 PolarHBondContact O-N 3.41Å; N82-K86 WeakPolarHBondContact O-CB 3.24Å; N82-K86 PolarHBondContact O-N 2.91Å
83E97.4Very high94.3Very high99 Ų9998.4 Ų98.446%0.46347%0.472SS..Hα-helixtrans-64.1-40.8175.7-74.5-179.9-16200112.3K79 L80 K86 R87K79-E83 WeakPolarHBondContact O-CG 3.44Å; K79-E83 PolarHBondContact O-N 3.41Å; L80-E83 PolarHBondContact O-N 3.41Å; E83-K86 PolarHBondContact O-N 3.33Å; E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 2.96Å; E83-R87 IonicContact OE2-NH2 3.22Å; E83-R87 PolarHBondContact OE2-NH2 3.01Å
84I96.5Very high94.2Very high71 Ų7199.4 Ų99.436%0.36448%0.478SS..Hα-helixtrans-62.5-48.8175.6-69.2165.6000109.8L80 K81 K86 R87 Q88L80-I84 HydrophobicContact CD1-CD1 4.16Å; L80-I84 HydrophobicContact CD1-CG1 4.36Å; L80-I84 HydrophobicContact CG-CD1 3.88Å; L80-I84 HydrophobicContact CG-CG1 4.5Å; L80-I84 VanDerWaalsContact O-CG1 3.25Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.45Å; K81-I84 PolarHBondContact O-N 2.86Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.44Å; I84-R87 PolarHBondContact O-N 3.42Å; I84-Q88 HydrophobicContact CG2-CG 4.33Å; I84-Q88 WeakPolarHBondContact O-CB 3.3Å; I84-Q88 VanDerWaalsContact O-CG 3.28Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.91Å
85S96Very high94Very high68 Ų6898.1 Ų98.148%0.47648%0.481SS..Hα-helixtrans-59.9-42.2178.1179.70000111.7K81 N82 Q88 H89K81-S85 WeakPolarHBondContact O-CB 3.49Å; K81-S85 PolarHBondContact O-N 2.96Å; N82-S85 PolarHBondContact O-N 3.41Å; S85-Q88 PolarHBondContact O-N 2.81Å; S85-H89 PolarHBondContact O-N 2.85Å
86K96.2Very high93.5Very high130 Ų130100 Ų10057%0.56548%0.482SS*.Hα-helixtrans-60.6-48.2175-179.8176.3170.8178.60111.8N82 E83 I84 Q88 H89 E90N82-K86 WeakPolarHBondContact O-CB 3.24Å; N82-K86 PolarHBondContact O-N 2.91Å; E83-K86 PolarHBondContact O-N 3.33Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.44Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 2.67Å; K86-H89 PolarHBondContact O-N 3.42Å; K86-E90 WeakPolarHBondContact CE-OE1 3.32Å; K86-E90 IonicContact NZ-OE1 3.13Å; K86-E90 WeakPolarHBondContact O-CG 3.35Å; K86-E90 PolarHBondContact O-N 3.29Å
87R96.5Very high92.7Very high132 Ų13298.4 Ų98.450%0.49848%0.476SS..Hα-helixtrans-64.2-37.8177.8-70.6-177.8-139.4157.65112.1E83 I84 E90 N91E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 2.96Å; E83-R87 IonicContact OE2-NH2 3.22Å; E83-R87 PolarHBondContact OE2-NH2 3.01Å; I84-R87 PolarHBondContact O-N 3.42Å; R87-E90 PolarHBondContact O-N 2.94Å; R87-N91 WeakPolarHBondContact O-CB 3.12Å; R87-N91 VanDerWaalsContact O-CG 3.27Å; R87-N91 PolarHBondContact O-N 3.43Å; R87-N91 PolarHBondContact O-ND2 2.95Å; R87-N91 VanDerWaalsContact O-ND2 3.09Å
88Q95.9Very high91.7Very high122 Ų122104.5 Ų104.557%0.5750%0.497SS*.Hα-helixtrans-62.2-45.5174.8-75.1172.6-21.500111.1I84 S85 K86 N91 Y92I84-Q88 HydrophobicContact CG2-CG 4.33Å; I84-Q88 WeakPolarHBondContact O-CB 3.3Å; I84-Q88 VanDerWaalsContact O-CG 3.28Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.91Å; S85-Q88 PolarHBondContact O-N 2.81Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 2.67Å; Q88-N91 PolarHBondContact O-N 3.29Å; Q88-Y92 WeakPolarHBondContact O-CB 3.38Å; Q88-Y92 PolarHBondContact O-N 3.1Å
89H96.1Very high90.3Very high113 Ų113110.2 Ų110.252%0.52352%0.516SS..Hα-helixtrans-63.3-45.9175.7179.264.1000112.1S85 K86 N91 Y92 I93S85-H89 PolarHBondContact O-N 2.85Å; K86-H89 PolarHBondContact O-N 3.42Å; H89-N91 VanDerWaalsContact C-N 3.34Å; H89-N91 PolarHBondContact O-N 3Å; H89-Y92 WeakPolarHBondContact O-CB 3.34Å; H89-Y92 PolarHBondContact O-N 3.08Å; H89-Y92 VanDerWaalsContact O-N 3.15Å; H89-I93 WeakPolarHBondContact O-CG1 3.49Å; H89-I93 PolarHBondContact O-N 2.85Å
90E94.6Very high88.4Confident82 Ų82109.4 Ų109.438%0.38351%0.514SS..Hα-helixtrans-59.9-43.1176.3-74.1171.8173.800111.8K86 R87 Y92 I93 Q94K86-E90 WeakPolarHBondContact CE-OE1 3.32Å; K86-E90 IonicContact NZ-OE1 3.13Å; K86-E90 WeakPolarHBondContact O-CG 3.35Å; K86-E90 PolarHBondContact O-N 3.29Å; R87-E90 PolarHBondContact O-N 2.94Å; E90-Y92 VanDerWaalsContact C-N 3.34Å; E90-I93 PolarHBondContact O-N 3.37Å; E90-Q94 WeakPolarHBondContact O-CB 3.26Å; E90-Q94 VanDerWaalsContact O-CG 3.24Å; E90-Q94 WeakPolarHBondContact O-CG 3.37Å; E90-Q94 PolarHBondContact O-N 3.37Å
91N93.6Very high86.3Confident98 Ų98110.1 Ų110.152%0.52452%0.515SS..Hα-helixtrans-64.3-38.5175.1-77.8-37.1000112.2R87 Q88 H89 Q94 S95R87-N91 WeakPolarHBondContact O-CB 3.12Å; R87-N91 VanDerWaalsContact O-CG 3.27Å; R87-N91 PolarHBondContact O-N 3.43Å; R87-N91 PolarHBondContact O-ND2 2.95Å; R87-N91 VanDerWaalsContact O-ND2 3.09Å; Q88-N91 PolarHBondContact O-N 3.29Å; H89-N91 VanDerWaalsContact C-N 3.34Å; H89-N91 PolarHBondContact O-N 3Å; N91-Q94 PolarHBondContact O-N 2.94Å; N91-S95 VanDerWaalsContact O-CB 3.29Å; N91-S95 WeakPolarHBondContact O-CB 3.31Å; N91-S95 PolarHBondContact O-N 3.01Å; N91-S95 PolarHBondContact O-OG 2.83Å
92Y93.4Very high84.2Confident128 Ų128108.5 Ų108.550%0.50252%0.518SS..Hα-helixtrans-61.4-51.7175.6177.1-94000110.7Q88 H89 E90 Q94 S95 E96Q88-Y92 WeakPolarHBondContact O-CB 3.38Å; Q88-Y92 PolarHBondContact O-N 3.1Å; H89-Y92 WeakPolarHBondContact O-CB 3.34Å; H89-Y92 PolarHBondContact O-N 3.08Å; H89-Y92 VanDerWaalsContact O-N 3.15Å; E90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-Q94 PolarHBondContact O-N 2.95Å; Y92-S95 PolarHBondContact O-N 3.36Å; Y92-S95 VanDerWaalsContact O-N 3.08Å; Y92-S95 PolarHBondContact O-OG 2.85Å; Y92-E96 HydrophobicContact CD1-CG 4.49Å; Y92-E96 HydrophobicContact CE1-CG 3.98Å; Y92-E96 WeakPolarHBondContact CE1-OE2 3.47Å; Y92-E96 VanDerWaalsContact CZ-CD 3.41Å; Y92-E96 PolarHBondContact O-N 3.32Å; Y92-E96 VanDerWaalsContact OH-CD 3.28Å; Y92-E96 PolarHBondContact OH-OE1 3.29Å
93I89.3Confident82Confident75 Ų75109.1 Ų109.139%0.38553%0.532SS..Hα-helixtrans-60.5-43.9177.3-62.4-62000111.5H89 E90 S95 E96 E97H89-I93 WeakPolarHBondContact O-CG1 3.49Å; H89-I93 PolarHBondContact O-N 2.85Å; E90-I93 PolarHBondContact O-N 3.37Å; I93-S95 VanDerWaalsContact C-N 3.27Å; I93-S95 PolarHBondContact O-N 3Å; I93-E96 PolarHBondContact O-N 2.93Å; I93-E97 WeakPolarHBondContact O-CB 3.28Å; I93-E97 PolarHBondContact O-N 3.23Å
94Q89.4Confident80.1Confident98 Ų98108.8 Ų108.846%0.45854%0.54SS..Hα-helixtrans-63.4-34.4175.9-75.2175.530.900112.4E90 N91 Y92 R98E90-Q94 WeakPolarHBondContact O-CB 3.26Å; E90-Q94 VanDerWaalsContact O-CG 3.24Å; E90-Q94 WeakPolarHBondContact O-CG 3.37Å; E90-Q94 PolarHBondContact O-N 3.37Å; N91-Q94 PolarHBondContact O-N 2.94Å; Y92-Q94 PolarHBondContact O-N 2.95Å; Q94-R98 VanDerWaalsContact O-CB 3.25Å; Q94-R98 WeakPolarHBondContact O-CB 3.37Å; Q94-R98 PolarHBondContact O-N 3.14Å
95S86.8Confident78.1Confident56 Ų56109 Ų10939%0.39255%0.548SS..Hα-helixtrans-70.4-40.5175.574.40000111.4N91 Y92 I93 R98 Q99N91-S95 VanDerWaalsContact O-CB 3.29Å; N91-S95 WeakPolarHBondContact O-CB 3.31Å; N91-S95 PolarHBondContact O-N 3.01Å; N91-S95 PolarHBondContact O-OG 2.83Å; Y92-S95 PolarHBondContact O-N 3.36Å; Y92-S95 VanDerWaalsContact O-N 3.08Å; Y92-S95 PolarHBondContact O-OG 2.85Å; I93-S95 VanDerWaalsContact C-N 3.27Å; I93-S95 PolarHBondContact O-N 3Å; S95-R98 PolarHBondContact O-N 2.82Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.74Å
96E82.4Confident76.5Confident70 Ų70107.8 Ų107.833%0.32754%0.542SS..Hα-helixtrans-64.6-45.4173.4-73.4-170.9131.200111.8Y92 I93 R98 Q99 Q100Y92-E96 HydrophobicContact CD1-CG 4.49Å; Y92-E96 HydrophobicContact CE1-CG 3.98Å; Y92-E96 WeakPolarHBondContact CE1-OE2 3.47Å; Y92-E96 VanDerWaalsContact CZ-CD 3.41Å; Y92-E96 PolarHBondContact O-N 3.32Å; Y92-E96 VanDerWaalsContact OH-CD 3.28Å; Y92-E96 PolarHBondContact OH-OE1 3.29Å; I93-E96 PolarHBondContact O-N 2.93Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.12Å; E96-Q99 PolarHBondContact O-N 3.01Å; E96-Q100 VanDerWaalsContact O-CB 3.32Å; E96-Q100 WeakPolarHBondContact O-CB 3.34Å; E96-Q100 PolarHBondContact O-N 3.5Å
97E75.5Confident75Confident118 Ų118105.8 Ų105.855%0.55154%0.542SS*.Hα-helixtrans-59.5-39.9176.3-174.9178.8-160.200111.2I93 Q100I93-E97 WeakPolarHBondContact O-CB 3.28Å; I93-E97 PolarHBondContact O-N 3.23Å; E97-Q100 PolarHBondContact O-N 2.9Å
98R71.3Confident73.6Confident202 Ų202105.7 Ų105.776%0.76255%0.551SS**Hα-helixtrans-73.3-32.4177.6-167.8-175.6-62.1-98.70.6113Q94 S95 E96 Q100Q94-R98 VanDerWaalsContact O-CB 3.25Å; Q94-R98 WeakPolarHBondContact O-CB 3.37Å; Q94-R98 PolarHBondContact O-N 3.14Å; S95-R98 PolarHBondContact O-N 2.82Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.12Å; R98-Q100 VanDerWaalsContact C-N 3.32Å
99Q64.3Low72.5Confident169 Ų169105.7 Ų105.779%0.7955%0.554SS**Hα-helixtrans-76.9-19.4174.8-67.7-74.4-7.500112.1S95 E96S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.74Å; E96-Q99 PolarHBondContact O-N 3.01Å
100Q55.2Low71.4Confident126 Ų126103.2 Ų103.259%0.58955%0.547SS*.THydrogen-bonded Turntrans-89.86.7-178.2-87.4172.39.900116.4E96 E97 R98E96-Q100 VanDerWaalsContact O-CB 3.32Å; E96-Q100 WeakPolarHBondContact O-CB 3.34Å; E96-Q100 PolarHBondContact O-N 3.5Å; E97-Q100 PolarHBondContact O-N 2.9Å; R98-Q100 VanDerWaalsContact C-N 3.32Å
101E51.6Low70.5Confident109 Ų109105.9 Ų105.951%0.50956%0.559SS.*THydrogen-bonded Turntrans-123.4122.5174.6-90.3-73.6136.200111.3
102P50.3Low70Confident97 Ų97104.6 Ų104.663%0.6356%0.555SS**THydrogen-bonded Turncis-135.352.922.141.2-21000114
103S50.4Low69.5Low129 Ų129105.3 Ų105.390%0.90256%0.563SS**THydrogen-bonded Turntrans-92.7-10.1172.5-73.20000113.9
104S56.5Low69Low91 Ų91108.2 Ų108.264%0.63657%0.573SS**SBendtrans-136.355.3174.662.70000111.1A106S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.14Å
105S55.3Low68.5Low76 Ų76109.7 Ų109.753%0.53158%0.583SS.*  trans-73.8103.9-174.967.80000111.4P107S105-P107 VanDerWaalsContact O-CD 3.26Å; S105-P107 WeakPolarHBondContact O-CD 3.22Å
106A61.3Low68.2Low42 Ų42110.1 Ų110.135%0.34758%0.584SS.*  trans-110.572.8156.900000108.9S104 L108 L109 V110S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.14Å; A106-L108 PolarHBondContact O-N 3.24Å; A106-L108 VanDerWaalsContact O-N 3.08Å; A106-L109 HydrophobicContact CB-CB 4.1Å; A106-L109 HydrophobicContact CB-CD1 3.75Å; A106-L109 HydrophobicContact CB-CG 4.18Å; A106-L109 WeakPolarHBondContact O-CB 3.14Å; A106-L109 PolarHBondContact O-N 3.49Å; A106-V110 PolarHBondContact O-N 3.39Å
107P65.6Low67.8Low89 Ų89112.4 Ų112.458%0.57859%0.594SS**Hα-helixtrans-59.1-28.1-172.922.3-33000112.8S105 Q111S105-P107 VanDerWaalsContact O-CD 3.26Å; S105-P107 WeakPolarHBondContact O-CD 3.22Å; P107-Q111 WeakPolarHBondContact O-CB 2.94Å; P107-Q111 PolarHBondContact O-N 3.25Å; P107-Q111 VanDerWaalsContact O-N 3.08Å
108L67.1Low67.5Low130 Ų130112.6 Ų112.668%0.68160%0.595SS**Hα-helixtrans-65.7-37.9174.3-158.883000112.3A106 Q111 T112A106-L108 PolarHBondContact O-N 3.24Å; A106-L108 VanDerWaalsContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 3.48Å; L108-T112 WeakPolarHBondContact O-CB 3.37Å; L108-T112 PolarHBondContact O-N 3.04Å; L108-T112 PolarHBondContact O-OG1 2.92Å
109L71.9Confident67.7Low122 Ų122105.7 Ų105.764%0.63958%0.581SS**Hα-helixtrans-68.7-41.6178.8-80.8171.2000111.1A106 T112 Q113A106-L109 HydrophobicContact CB-CB 4.1Å; A106-L109 HydrophobicContact CB-CD1 3.75Å; A106-L109 HydrophobicContact CB-CG 4.18Å; A106-L109 WeakPolarHBondContact O-CB 3.14Å; A106-L109 PolarHBondContact O-N 3.49Å; L109-T112 PolarHBondContact O-N 3.21Å; L109-Q113 WeakPolarHBondContact O-CB 3.32Å; L109-Q113 PolarHBondContact O-N 3.29Å
110V73.9Confident68Low61 Ų61102.8 Ų102.837%0.3757%0.57SS.*Hα-helixtrans-63.7-43.2176.11790000111.2A106 Q113 K114A106-V110 PolarHBondContact O-N 3.39Å; V110-Q113 PolarHBondContact O-N 3.47Å; V110-K114 HydrophobicContact CG1-CD 4.37Å; V110-K114 WeakPolarHBondContact O-CB 3.32Å; V110-K114 WeakPolarHBondContact O-CG 3.5Å; V110-K114 PolarHBondContact O-N 2.92Å
111Q74.9Confident68.3Low137 Ų137102.6 Ų102.664%0.6457%0.572SS**Hα-helixtrans-64.8-43.1176.5-173.5177.9-6.700111.8P107 L108 K114 L115P107-Q111 WeakPolarHBondContact O-CB 2.94Å; P107-Q111 PolarHBondContact O-N 3.25Å; P107-Q111 VanDerWaalsContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 3.48Å; Q111-K114 PolarHBondContact O-N 2.76Å; Q111-L115 WeakPolarHBondContact O-CB 3.47Å; Q111-L115 PolarHBondContact O-N 3.43Å
112T84.2Confident68.7Low72 Ų72105 Ų10544%0.44258%0.582SS.*Hα-helixtrans-65.5-44.1177.8-49.10000110.6L108 L109 K114 L115 T116L108-T112 WeakPolarHBondContact O-CB 3.37Å; L108-T112 PolarHBondContact O-N 3.04Å; L108-T112 PolarHBondContact O-OG1 2.92Å; L109-T112 PolarHBondContact O-N 3.21Å; T112-K114 PolarHBondContact O-N 2.89Å; T112-L115 PolarHBondContact O-N 3.25Å; T112-T116 WeakPolarHBondContact O-CB 3.37Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 2.78Å
113Q83.1Confident69.2Low142 Ų142104.7 Ų104.766%0.66458%0.578SS**Hα-helixtrans-62.9-40.7177.8-164.5178.63300111.9L109 V110 T116 H117L109-Q113 WeakPolarHBondContact O-CB 3.32Å; L109-Q113 PolarHBondContact O-N 3.29Å; V110-Q113 PolarHBondContact O-N 3.47Å; Q113-T116 PolarHBondContact O-N 2.83Å; Q113-H117 VanDerWaalsContact O-CB 3.26Å; Q113-H117 WeakPolarHBondContact O-CB 3.24Å; Q113-H117 PolarHBondContact O-N 3.22Å
114K78.4Confident69.5Low136 Ų136104.5 Ų104.559%0.59157%0.571SS**Hα-helixtrans-63.8-43.2173.2-78.8178.9177.8173.80112.3V110 Q111 T112 H118V110-K114 HydrophobicContact CG1-CD 4.37Å; V110-K114 WeakPolarHBondContact O-CB 3.32Å; V110-K114 WeakPolarHBondContact O-CG 3.5Å; V110-K114 PolarHBondContact O-N 2.92Å; Q111-K114 PolarHBondContact O-N 2.76Å; T112-K114 PolarHBondContact O-N 2.89Å; K114-H118 PolarHBondContact O-N 3.36Å; K114-H118 VanDerWaalsContact O-N 3.1Å
115L78.3Confident69.8Low130 Ų130105.2 Ų105.268%0.68157%0.573SS**Hα-helixtrans-64-45.3177.2-164.976.6000111.1Q111 T112 H118 A119Q111-L115 WeakPolarHBondContact O-CB 3.47Å; Q111-L115 PolarHBondContact O-N 3.43Å; T112-L115 PolarHBondContact O-N 3.25Å; L115-H118 PolarHBondContact O-N 3.22Å; L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 3.47Å
116T79.7Confident70.2Confident65 Ų65110 Ų11040%0.39958%0.581SS.*Hα-helixtrans-64.4-44.6177.2-59.10000111.5T112 Q113 H118 A119 L120T112-T116 WeakPolarHBondContact O-CB 3.37Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 2.78Å; Q113-T116 PolarHBondContact O-N 2.83Å; T116-H118 VanDerWaalsContact C-N 3.34Å; T116-H118 PolarHBondContact O-N 2.97Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-A119 VanDerWaalsContact O-N 3.15Å; T116-L120 HydrophobicContact CG2-CD1 3.68Å; T116-L120 HydrophobicContact CG2-CG 4.05Å; T116-L120 WeakPolarHBondContact O-CB 3.29Å; T116-L120 VanDerWaalsContact O-CG 3.24Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; T116-L120 PolarHBondContact O-N 3.45Å
117H74.3Confident70.2Confident118 Ų118114.2 Ų114.255%0.54660%0.598SS.*Hα-helixtrans-59.8-44177.4-175.9-109.6000111.8Q113 A119 L120 L121Q113-H117 VanDerWaalsContact O-CB 3.26Å; Q113-H117 WeakPolarHBondContact O-CB 3.24Å; Q113-H117 PolarHBondContact O-N 3.22Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-A119 PolarHBondContact O-N 2.99Å; H117-L120 PolarHBondContact O-N 2.95Å; H117-L121 WeakPolarHBondContact CE1-CD1 3.46Å; H117-L121 WeakPolarHBondContact O-CB 3.48Å; H117-L121 VanDerWaalsContact O-CG 3.28Å; H117-L121 WeakPolarHBondContact O-CG 3.35Å; H117-L121 PolarHBondContact O-N 2.81Å
118H70.1Confident69.9Low121 Ų121113.9 Ų113.956%0.5660%0.598SS**Hα-helixtrans-69.6-29.8176.6-168-98.1000113.1K114 L115 T116 K122K114-H118 PolarHBondContact O-N 3.36Å; K114-H118 VanDerWaalsContact O-N 3.1Å; L115-H118 PolarHBondContact O-N 3.22Å; T116-H118 VanDerWaalsContact C-N 3.34Å; T116-H118 PolarHBondContact O-N 2.97Å; H118-K122 PolarHBondContact O-N 3.35Å
119A76.2Confident69.4Low57 Ų57112.7 Ų112.747%0.47160%0.599SS.*Hα-helixtrans-72.9-40.7173.600000112.6L115 T116 H117 K122L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 3.47Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-A119 VanDerWaalsContact O-N 3.15Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-A119 PolarHBondContact O-N 2.99Å; A119-K122 PolarHBondContact O-N 3.1Å
120L68.8Low68.7Low109 Ų109114.1 Ų114.157%0.57160%0.602SS**Hα-helixtrans-72.8-36.8179.2-66.8176000112.2T116 H117 K122 T123T116-L120 HydrophobicContact CG2-CD1 3.68Å; T116-L120 HydrophobicContact CG2-CG 4.05Å; T116-L120 WeakPolarHBondContact O-CB 3.29Å; T116-L120 VanDerWaalsContact O-CG 3.24Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; T116-L120 PolarHBondContact O-N 3.45Å; H117-L120 PolarHBondContact O-N 2.95Å; L120-K122 VanDerWaalsContact C-N 3.28Å; L120-K122 PolarHBondContact O-N 3.36Å; L120-T123 PolarHBondContact O-N 2.9Å; L120-T123 VanDerWaalsContact O-N 3.09Å; L120-T123 PolarHBondContact O-OG1 3.21Å
121L62.9Low67.9Low121 Ų121122.4 Ų122.463%0.63463%0.627SS**Hα-helixtrans-71.5-19176-71.4177.2000114.1H117 T123H117-L121 WeakPolarHBondContact CE1-CD1 3.46Å; H117-L121 WeakPolarHBondContact O-CB 3.48Å; H117-L121 VanDerWaalsContact O-CG 3.28Å; H117-L121 WeakPolarHBondContact O-CG 3.35Å; H117-L121 PolarHBondContact O-N 2.81Å; L121-T123 VanDerWaalsContact C-N 3.31Å
122K59.1Low66.6Low161 Ų161125.8 Ų125.870%0.764%0.639SS**THydrogen-bonded Turntrans-76.2-19.4169-86-176174.8-175.20112.8H118 A119 L120 V124H118-K122 PolarHBondContact O-N 3.35Å; A119-K122 PolarHBondContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.28Å; L120-K122 PolarHBondContact O-N 3.36Å; K122-V124 PolarHBondContact O-N 3.19Å
123T60.4Low65Low89 Ų89129 Ų12955%0.54666%0.659SS.*SBendtrans-77.8119.3168.968.10000107.7L120 L121L120-T123 PolarHBondContact O-N 2.9Å; L120-T123 VanDerWaalsContact O-N 3.09Å; L120-T123 PolarHBondContact O-OG1 3.21Å; L121-T123 VanDerWaalsContact C-N 3.31Å
124V58.1Low63.2Low126 Ų126126.8 Ų126.876%0.76466%0.659SS**PPolyproline II helixtrans-50.9132.8176.6-176.20000107.8K122 Y126K122-V124 PolarHBondContact O-N 3.19Å; V124-Y126 PolarHBondContact O-N 3.13Å
125P62.5Low61.4Low106 Ų106126.7 Ų126.769%0.68867%0.67SS**PPolyproline II helixtrans-52.3120.1174.5-2230.9000107.9N127P125-N127 PolarHBondContact O-N 3.31Å
126Y63.5Low59.6Low175 Ų175128.6 Ų128.669%0.68667%0.673SS**  trans-53.8104.6-178.8174.8-103.9000109.3V124 S128V124-Y126 PolarHBondContact O-N 3.13Å; Y126-S128 PolarHBondContact O-N 3.25Å; Y126-S128 PolarHBondContact OH-OG 2.85Å
127N61.5Low58.3Low132 Ų132131.3 Ų131.371%0.70669%0.692SS**  trans-87.9102.2170-113.2-48.3000106P125 C129P125-N127 PolarHBondContact O-N 3.31Å; N127-C129 PolarHBondContact O-N 3.07Å
128S58.1Low56.7Low82 Ų82133.8 Ų133.857%0.57370%0.703SS**  trans-71.863.6176.3-159.50000110.8Y126 H130Y126-S128 PolarHBondContact O-N 3.25Å; Y126-S128 PolarHBondContact OH-OG 2.85Å; S128-H130 PolarHBondContact O-N 3.23Å
129C57.3Low55.5Low105 Ų105138.7 Ų138.771%0.70972%0.717SS**  trans-9049.8171.7-62.40000109.7N127N127-C129 PolarHBondContact O-N 3.07Å
130H58.3Low53.8Low152 Ų152146.7 Ų146.770%0.70474%0.735SS**  trans-96.790.3166.8-74.2-66.1000109.2S128 K132S128-H130 PolarHBondContact O-N 3.23Å; H130-K132 PolarHBondContact O-N 2.74Å
131R55.3Low52.4Low235 Ų235146.5 Ų146.589%0.88774%0.743SS**  trans-67.1118.4160.1-72.9-110.4179.5-153.2-1.2107.4T133R131-T133 PolarHBondContact O-N 3.39Å
132K48.7Very low51.2Low207 Ų207149.8 Ų149.890%0.976%0.757SS**  trans-60.299170-65.5176173.3-179.50109.3H130H130-K132 PolarHBondContact O-N 2.74Å
133T50Low50.2Low141 Ų141148 Ų14887%0.86577%0.765SS**  trans-100.793.2153.253.70000106.7R131R131-T133 PolarHBondContact O-N 3.39Å
134S44.7Very low49.1Very low94 Ų94150.8 Ų150.866%0.65778%0.782SS**  trans-128.2124.9177.3-1660000109.9
135T41Very low47.9Very low135 Ų135148.3 Ų148.383%0.82878%0.782SS**  trans70.8129.3164.263.20000116.3
136K41.9Very low46.8Very low170 Ų170149.4 Ų149.474%0.73979%0.792SS**  cis-165.8153.437.7-158.2-178-177.8-156.70111.2E138K136-E138 IonicContact NZ-OE2 3.42Å
137P51.2Low45.3Very low122 Ų122144.7 Ų144.779%0.79280%0.797SS**  trans-95.9133.9167.934.3-26.6000111.3
138E42.2Very low44.8Very low169 Ų169144.4 Ų144.479%0.7980%0.802SS**  trans-149.1136.5163.6-157.1148.1158.500111.7K136K136-E138 IonicContact NZ-OE2 3.42Å
139R44.8Very low43.7Very low224 Ų224146.7 Ų146.785%0.84582%0.818SS**  trans-85.1142.1-169.1-56.6176.8-174.2168-0.3112
140R40.5Very low42.5Very low226 Ų226145.1 Ų145.185%0.85382%0.82SS**  153.4151.6108.2-100.5-170.6-175.4173.33.5113.3
141S39Very low41.4Very low104 Ų104145.7 Ų145.773%0.72783%0.828SS**  trans101.287.3150.5-58.10000119.3
142M36.6Very low40.8Very low191 Ų191141.6 Ų141.694%0.94182%0.823SS**  30.1115.5126.8-43.6-168.3173.500119.3
143S39.4Very low40.1Very low124 Ų124140.2 Ų140.287%0.86782%0.819SS**  -168.4153.2122.8-156.10000112
144T36.3Very low39.7Very low146 Ų146139.1 Ų139.190%0.89682%0.817SS**  trans-71.1148-166.8-40.30000114.4
145G34.1Very low39.2Very low74 Ų74144 Ų14476%0.76383%0.826SS**  trans167.6120.6162.100000115.6
146S37.8Very low39.3Very low129 Ų129142.9 Ų142.990%0.90282%0.824SS**  trans-46.3150.8-175.2-52.20000119.1
147G33.8Very low38.9Very low76 Ų76141 Ų14178%0.78483%0.829SS**  trans-80-148.1177.600000115.2
148P50.4Low38.3Very low126 Ų126140.7 Ų140.782%0.81883%0.83SS**  cis-130.5178-22.439.8-23.3000114.1
149S35.6Very low37.7Very low131 Ų131137 Ų13792%0.91683%0.828SS**  trans74.8132.9155.6-157.40000120
150G31.2Very low37.3Very low72 Ų72131.2 Ų131.274%0.74282%0.822SS**  trans145.88615700000118
151N35.2Very low36.8Very low164 Ų164127 Ų12788%0.87783%0.826SS**  trans66.2126.9136.7-124.27.6000123.1
152L42.2Very low36.3Very low148 Ų148130.8 Ų130.878%0.77583%0.83SS**  trans-57.8141.6159.8-66.5148.8000110.5
153H35.1Very low35.9Very low179 Ų179127.1 Ų127.183%0.82982%0.818SS**  -177.3129126.4-103.8-139.3000110.5
154S40.9Very low35.3Very low117 Ų117129.3 Ų129.382%0.81882%0.815SS**  trans-58.1124.8174.934.30000112
155K33.8Very low35.1Very low196 Ų196128.1 Ų128.185%0.85281%0.807SS**  trans-131.5114.2158.5-73-175.1179.3178.70109
156S43.1Very low35.1Very low112 Ų112130.1 Ų130.178%0.78381%0.809SS**  trans-50.1137.2165.640.10000112
157P34.7Very low34.7Very low130 Ų130132 Ų13284%0.84480%0.803SS**  trans-91.2115.7169.426.4-15.4000110.8
158S36.9Very low34.7Very low116 Ų116136.5 Ų136.581%0.81181%0.809SS**  trans-70.4128.4148.653.50000110.1
159A30.6Very low33.8Very low91 Ų91136.4 Ų136.475%0.75281%0.811SS**  trans-173.6111.2150.500000106.2
160S36.3Very low33.5Very low103 Ų103134.5 Ų134.572%0.7280%0.804SS**  46.9100.980.7175.80000112.1
161C29.1Very low33.6Very low138 Ų138135.6 Ų135.693%0.93280%0.8SS**  trans-144.7137.5141-850000108.8
162K28.9Very low33.5Very low184 Ų184133.8 Ų133.880%0.879%0.79SS**  trans-83157.4-172.7-74.4172.6169.7177.30112
163T28.1Very low32.9Very low114 Ų114136.2 Ų136.270%0.69980%0.797SS**  trans60.4131.6139.5-53.30000116
164E28.1Very low33Very low170 Ų170136.1 Ų136.179%0.79480%0.797SS**  -161.8132.651.733.3-125.6100.400113.8
165V32.1Very low32.6Very low121 Ų121137.7 Ų137.773%0.73380%0.796SS**  trans21.7118137.4-1640000120.3
166S32.7Very low33Very low116 Ų116133.1 Ų133.181%0.81179%0.789SS**  -165.5137.6113-79.70000111
167E29.1Very low32.8Very low167 Ų167134.8 Ų134.878%0.7879%0.787SS**  trans-54.6157-176.6-62.4155.7144.200110.5
168L34.8Very low32.7Very low172 Ų172132.7 Ų132.790%0.90178%0.781SS**  -157.7138.859-3293.1000112.3
169S31.7Very low32.5Very low123 Ų123133.3 Ų133.386%0.8678%0.779SS**  trans-42.5167.5155.5-59.10000114.4
170A30.1Very low32.9Very low92 Ų92138 Ų13876%0.7678%0.783SS**  cis-167.3167.5-12.400000106.6
171S31.6Very low32.6Very low95 Ų95139.2 Ų139.266%0.66479%0.786SS**  trans-66.6158.5177.359.30000114.3
172N32.9Very low33Very low126 Ų126140.5 Ų140.567%0.67478%0.778SS**  166.7127.5107.9-85.4-15.8000110.6
173H31.5Very low33.1Very low199 Ų199139.6 Ų139.692%0.92178%0.782SS**  trans-105.6119.9153.2-95.5-80.3000107.7
174H36.2Very low33.8Very low176 Ų176143.7 Ų143.782%0.81579%0.793SS**  trans-89.2135.2160.7-94.5-88.6000108.7
175D32.6Very low34.1Very low151 Ų151140.3 Ų140.381%0.80780%0.795SS**  trans-97.3156.8171.7-170.813.7000109.4
176S41.8Very low34.3Very low100 Ų100139.4 Ų139.470%0.69980%0.799SS**  trans129.7139.8158.8-67.30000114
177I38.4Very low34.5Very low147 Ų147141.5 Ų141.575%0.75480%0.801SS**  cis-170.51415-95.7-106.9000107
178A32.5Very low35Very low85 Ų85138.8 Ų138.870%0.70280%0.796SS**  trans54.1149.2146.800000121.3
179V34.1Very low35.2Very low129 Ų129139.6 Ų139.678%0.78280%0.795SS**  cis-161.8139.445.3166.70000110.8
180K37.8Very low35.4Very low191 Ų191139.3 Ų139.383%0.8379%0.788SS**  trans9.9136.4151.8-55.6175.7175.6-1770121.5
181T30.7Very low36.4Very low128 Ų128139.9 Ų139.979%0.78579%0.793SS**  -170.1151.8101.5-67.10000109.9
182E36.9Very low37.1Very low165 Ų165143 Ų14377%0.77180%0.797SS**  trans-53.4144.1-170-66.4145133.300116.1
183D31.5Very low37.6Very low164 Ų164142.2 Ų142.288%0.87780%0.798SS**  -166.5127.3110.5-93.7-27.1000110.7
184Q42.5Very low38.6Very low201 Ų201139 Ų13994%0.93979%0.787SS**  trans-79125.4170.5-75.5-172.52200109.7
185A34.7Very low39.8Very low99 Ų99133.9 Ų133.982%0.81877%0.769SS**  trans-154.5133.4144.100000110.4
186A37.4Very low41.7Very low101 Ų101130.2 Ų130.284%0.83576%0.759SS**  trans81.879.4164.600000118.6
187L36.2Very low43.7Very low160 Ų160130.5 Ų130.584%0.83875%0.749SS**  trans-18124136.9-166.271.3000116.1
188T39.3Very low45.7Very low110 Ų110129.8 Ų129.868%0.67574%0.737SS**  trans42.2106.3140.2-45.70000119.5
189Q38.8Very low48.2Very low190 Ų190134.2 Ų134.289%0.88874%0.736SS**  trans-136.1102.5139.9-63.9-16512.900108.2
190V35.1Very low50.8Low117 Ų117135.8 Ų135.871%0.70973%0.728SS**  62.4111.8108.1-179.80000112.3E192V190-E192 PolarHBondContact O-N 3.4Å; V190-E192 VanDerWaalsContact O-N 3.08Å
191A51.4Low53.3Low104 Ų104131.8 Ų131.886%0.8671%0.712SS**  trans-60.1104.5167.700000110.4
192E47.2Very low55.9Low160 Ų160130.4 Ų130.475%0.74870%0.698SS**  trans-151.6155.1160.1-90-147.8142.600108.6V190 L194V190-E192 PolarHBondContact O-N 3.4Å; V190-E192 VanDerWaalsContact O-N 3.08Å; E192-L194 PolarHBondContact O-N 3.3Å
193P43.4Very low58.5Low110 Ų110127.9 Ų127.971%0.71469%0.686SS**  trans-61108-134.531.7-33.9000111.9T195P193-T195 WeakPolarHBondContact O-CG2 3.28Å; P193-T195 PolarHBondContact O-N 3.1Å
194L51.2Low61.3Low130 Ų130125.8 Ų125.868%0.68167%0.671SS**  trans-70.285.3172.3-83.3168.7000109.4E192 R198E192-L194 PolarHBondContact O-N 3.3Å; L194-R198 VanDerWaalsContact CD2-NH1 3.35Å
195T62.3Low63.5Low70 Ų70120.9 Ų120.943%0.42964%0.644SS.*  trans-28.5144.4-178.353.40000115.8P193 Q197 R198P193-T195 WeakPolarHBondContact O-CG2 3.28Å; P193-T195 PolarHBondContact O-N 3.1Å; T195-Q197 PolarHBondContact O-N 3.09Å; T195-R198 PolarHBondContact O-N 3.43Å
196A72.8Confident66.2Low74 Ų74121.4 Ų121.461%0.61263%0.633SS**Hα-helixtrans-49.7-18.8163.400000113.2R200A196-R200 WeakPolarHBondContact O-CG 3.23Å; A196-R200 PolarHBondContact O-N 3.27Å; A196-R200 VanDerWaalsContact O-N 3.08Å; A196-R200 PolarHBondContact O-NE 3.33Å
197Q82.8Confident68.6Low105 Ų105122.8 Ų122.849%0.49162%0.62SS.*Hα-helixtrans-64.6-48.2169.8179.8179.2-18.100112.7T195 R199 R200 E201T195-Q197 PolarHBondContact O-N 3.09Å; Q197-R199 PolarHBondContact O-N 3.07Å; Q197-R200 WeakPolarHBondContact O-CB 3.43Å; Q197-R200 PolarHBondContact O-N 2.76Å; Q197-R200 VanDerWaalsContact O-N 3.08Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.4Å; Q197-E201 PolarHBondContact NE2-OE1 3.16Å; Q197-E201 VanDerWaalsContact NE2-OE1 3.09Å; Q197-E201 WeakPolarHBondContact O-CG 3.31Å; Q197-E201 PolarHBondContact O-N 2.94Å
198R82.1Confident71.1Confident132 Ų132116.4 Ų116.450%0.49859%0.586SS.*Hα-helixtrans-60.4-37.1175.9-172.1170.7-177.1-176.63.1111.6L194 T195 E201 M202L194-R198 VanDerWaalsContact CD2-NH1 3.35Å; T195-R198 PolarHBondContact O-N 3.43Å; R198-E201 PolarHBondContact O-N 2.99Å; R198-M202 VanDerWaalsContact O-CG 3.26Å; R198-M202 WeakPolarHBondContact O-CG 3.46Å; R198-M202 PolarHBondContact O-N 3.03Å
199R84.7Confident73.3Confident179 Ų179116.4 Ų116.468%0.67558%0.577SS**Hα-helixtrans-62.2-46.1173.7-171-178.5-64.21750.1111.7Q197 E201 M202 E203Q197-R199 PolarHBondContact O-N 3.07Å; R199-E201 PolarHBondContact O-N 2.83Å; R199-M202 PolarHBondContact O-N 3.08Å; R199-E203 WeakPolarHBondContact CG-OE1 3.44Å; R199-E203 WeakPolarHBondContact O-CG 3.34Å; R199-E203 PolarHBondContact O-N 2.96Å
200R88.3Confident75.3Confident162 Ų162111.7 Ų111.761%0.61157%0.565SS**Hα-helixtrans-62.6-39.3176.3-78.4-177.1-72.8173.1-1.1112.8A196 Q197 E203 H204A196-R200 WeakPolarHBondContact O-CG 3.23Å; A196-R200 PolarHBondContact O-N 3.27Å; A196-R200 VanDerWaalsContact O-N 3.08Å; A196-R200 PolarHBondContact O-NE 3.33Å; Q197-R200 WeakPolarHBondContact O-CB 3.43Å; Q197-R200 PolarHBondContact O-N 2.76Å; Q197-R200 VanDerWaalsContact O-N 3.08Å; R200-E203 PolarHBondContact O-N 3.37Å; R200-H204 VanDerWaalsContact O-CB 3.24Å; R200-H204 WeakPolarHBondContact O-CB 3.3Å; R200-H204 PolarHBondContact O-N 3.27Å
201E89.9Confident77.4Confident106 Ų106110 Ų11050%0.49555%0.552SS.*Hα-helixtrans-63.1-42.7175.8-72166.3-171.100111.3Q197 R198 R199 H204 Y205Q197-E201 WeakPolarHBondContact CG-OE1 3.4Å; Q197-E201 PolarHBondContact NE2-OE1 3.16Å; Q197-E201 VanDerWaalsContact NE2-OE1 3.09Å; Q197-E201 WeakPolarHBondContact O-CG 3.31Å; Q197-E201 PolarHBondContact O-N 2.94Å; R198-E201 PolarHBondContact O-N 2.99Å; R199-E201 PolarHBondContact O-N 2.83Å; E201-H204 PolarHBondContact O-N 3.13Å; E201-Y205 WeakPolarHBondContact O-CB 3.37Å; E201-Y205 PolarHBondContact O-N 3.13Å
202M86.1Confident78.8Confident100 Ų100106.2 Ų106.249%0.49352%0.523SS..Hα-helixtrans-65.8-43.2175.4-67.8-56.3-55.600112.4R198 R199 H204 Y205 L206R198-M202 VanDerWaalsContact O-CG 3.26Å; R198-M202 WeakPolarHBondContact O-CG 3.46Å; R198-M202 PolarHBondContact O-N 3.03Å; R199-M202 PolarHBondContact O-N 3.08Å; M202-H204 VanDerWaalsContact C-N 3.34Å; M202-Y205 PolarHBondContact O-N 2.96Å; M202-L206 VanDerWaalsContact O-CG 3.3Å; M202-L206 WeakPolarHBondContact O-CG 3.23Å; M202-L206 PolarHBondContact O-N 2.81Å
203E90.4Very high80.6Confident112 Ų112102.7 Ų102.752%0.52350%0.503SS..Hα-helixtrans-63.2-41.5176.1-74.1168.8-172.100111.5R199 R200 L206 K207R199-E203 WeakPolarHBondContact CG-OE1 3.44Å; R199-E203 WeakPolarHBondContact O-CG 3.34Å; R199-E203 PolarHBondContact O-N 2.96Å; R200-E203 PolarHBondContact O-N 3.37Å; E203-L206 PolarHBondContact O-N 3.21Å; E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 PolarHBondContact O-N 3.46Å
204H89.9Confident82.4Confident119 Ų119100.6 Ų100.655%0.55149%0.488SS*.Hα-helixtrans-62.5-45.6175.5-177-97.2000111.5R200 E201 M202 K207 L208R200-H204 VanDerWaalsContact O-CB 3.24Å; R200-H204 WeakPolarHBondContact O-CB 3.3Å; R200-H204 PolarHBondContact O-N 3.27Å; E201-H204 PolarHBondContact O-N 3.13Å; M202-H204 VanDerWaalsContact C-N 3.34Å; H204-K207 PolarHBondContact O-N 3.48Å; H204-L208 VanDerWaalsContact CE1-CD1 3.48Å; H204-L208 WeakPolarHBondContact CE1-CD1 3.15Å; H204-L208 VanDerWaalsContact O-CD1 3.24Å; H204-L208 WeakPolarHBondContact O-CD1 3.27Å; H204-L208 PolarHBondContact O-N 3.09Å
205Y90.2Very high84Confident99 Ų9999 Ų9939%0.38848%0.477SS..Hα-helixtrans-58.8-48.3175.3175.2-90.7000112.3E201 M202 K207 L208 K209 W221E201-Y205 WeakPolarHBondContact O-CB 3.37Å; E201-Y205 PolarHBondContact O-N 3.13Å; M202-Y205 PolarHBondContact O-N 2.96Å; Y205-K207 VanDerWaalsContact C-N 3.3Å; Y205-K207 PolarHBondContact O-N 3.45Å; Y205-L208 PolarHBondContact O-N 3.48Å; Y205-K209 HydrophobicContact CD1-CG 4.42Å; Y205-K209 HydrophobicContact CE1-CG 3.9Å; Y205-K209 PolarHBondContact O-N 2.85Å; Y205-W221 AromaticContact CD2-CH2 3.59Å; Y205-W221 HydrophobicContact CD2-CH2 3.59Å; Y205-W221 AromaticContact CD2-CZ2 3.49Å; Y205-W221 HydrophobicContact CD2-CZ2 3.49Å; Y205-W221 VanDerWaalsContact CD2-CZ2 3.49Å; Y205-W221 AromaticContact CE2-CH2 3.41Å; Y205-W221 HydrophobicContact CE2-CH2 3.41Å; Y205-W221 VanDerWaalsContact CE2-CH2 3.41Å; Y205-W221 AromaticContact CE2-CZ2 3.64Å; Y205-W221 HydrophobicContact CE2-CZ2 3.64Å
206L90.3Very high85Confident109 Ų10999.3 Ų99.357%0.57148%0.476SS*.Hα-helixtrans-62.1-39.4179.4-72.1172.3000111.7M202 E203 K209 S210M202-L206 VanDerWaalsContact O-CG 3.3Å; M202-L206 WeakPolarHBondContact O-CG 3.23Å; M202-L206 PolarHBondContact O-N 2.81Å; E203-L206 PolarHBondContact O-N 3.21Å; L206-K209 PolarHBondContact O-N 3.48Å; L206-S210 PolarHBondContact O-N 3.25Å; L206-S210 PolarHBondContact O-OG 3.38Å
207K88.6Confident85.4Confident131 Ų131108 Ų10857%0.5749%0.493SS*.Hα-helixtrans-65-43.4176.9-171.7171.4-177.1179.10112.5E203 H204 Y205 K209 S210 D211E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 PolarHBondContact O-N 3.46Å; H204-K207 PolarHBondContact O-N 3.48Å; Y205-K207 VanDerWaalsContact C-N 3.3Å; Y205-K207 PolarHBondContact O-N 3.45Å; K207-K209 VanDerWaalsContact C-N 3.3Å; K207-K209 PolarHBondContact O-N 3.46Å; K207-S210 PolarHBondContact O-N 3.29Å; K207-S210 PolarHBondContact O-OG 3.27Å; K207-D211 VanDerWaalsContact O-CB 3.31Å; K207-D211 WeakPolarHBondContact O-CB 3.34Å; K207-D211 PolarHBondContact O-N 3.26Å
208L89.2Confident85.3Confident25 Ų25109.3 Ų109.313%0.13150%0.503CS..Hα-helixtrans-59.8-43.5174.3-9573.1000111H204 Y205 S210 D211 G212 W213 W221H204-L208 VanDerWaalsContact CE1-CD1 3.48Å; H204-L208 WeakPolarHBondContact CE1-CD1 3.15Å; H204-L208 VanDerWaalsContact O-CD1 3.24Å; H204-L208 WeakPolarHBondContact O-CD1 3.27Å; H204-L208 PolarHBondContact O-N 3.09Å; Y205-L208 PolarHBondContact O-N 3.48Å; L208-S210 PolarHBondContact O-N 2.81Å; L208-D211 PolarHBondContact O-N 3.18Å; L208-G212 PolarHBondContact O-N 3.42Å; L208-W213 HydrophobicContact CB-CB 4.02Å; L208-W213 HydrophobicContact CB-CG 4.35Å; L208-W213 HydrophobicContact CD2-CB 4.49Å; L208-W213 HydrophobicContact CG-CB 4.24Å; L208-W213 HydrophobicContact CG-CG 4.15Å; L208-W213 WeakPolarHBondContact O-CA 3.42Å; L208-W213 VanDerWaalsContact O-CB 3.24Å; L208-W213 WeakPolarHBondContact O-CB 3.45Å; L208-W213 PolarHBondContact O-N 3.15Å; L208-W221 HydrophobicContact CB-CD2 4.4Å; L208-W221 HydrophobicContact CB-CE3 4.12Å; L208-W221 HydrophobicContact CB-CH2 4.24Å; L208-W221 HydrophobicContact CB-CZ3 4.02Å; L208-W221 HydrophobicContact CD2-CB 3.95Å; L208-W221 HydrophobicContact CD2-CD2 3.37Å; L208-W221 HydrophobicContact CD2-CE3 3.87Å; L208-W221 HydrophobicContact CD2-CG 3.41Å; L208-W221 VanDerWaalsContact CD2-CG 3.41Å; L208-W221 HydrophobicContact CD2-CZ2 4.28Å; L208-W221 HydrophobicContact CD2-CZ3 4.47Å; L208-W221 HydrophobicContact CG-CD2 4.48Å
209K84.1Confident85.2Confident111 Ų111105 Ų10548%0.48350%0.501SS..Hα-helixtrans-63.5-38.1177.3-76.5-73.7-68175.50113.5Y205 L206 K207 W221Y205-K209 HydrophobicContact CD1-CG 4.42Å; Y205-K209 HydrophobicContact CE1-CG 3.9Å; Y205-K209 PolarHBondContact O-N 2.85Å; L206-K209 PolarHBondContact O-N 3.48Å; K207-K209 VanDerWaalsContact C-N 3.3Å; K207-K209 PolarHBondContact O-N 3.46Å; K209-W221 HydrophobicContact CD-CH2 4.36Å; K209-W221 HydrophobicContact CD-CZ3 4.19Å; K209-W221 HydrophobicContact CG-CH2 4.18Å; K209-W221 HydrophobicContact CG-CZ3 4.29Å
210S80.6Confident85Confident90 Ų90102.3 Ų102.363%0.62950%0.496SS*.Hα-helixtrans-73.6-32.817761.90000112.8L206 K207 L208 G212L206-S210 PolarHBondContact O-N 3.25Å; L206-S210 PolarHBondContact O-OG 3.38Å; K207-S210 PolarHBondContact O-N 3.29Å; K207-S210 PolarHBondContact O-OG 3.27Å; L208-S210 PolarHBondContact O-N 2.81Å; S210-G212 PolarHBondContact O-N 2.9Å
211D80.2Confident84.7Confident81 Ų8198 Ų9843%0.43348%0.479SS..THydrogen-bonded Turntrans-81.211.6-179.3-65.7-6.9000112.6K207 L208K207-D211 VanDerWaalsContact O-CB 3.31Å; K207-D211 WeakPolarHBondContact O-CB 3.34Å; K207-D211 PolarHBondContact O-N 3.26Å; L208-D211 PolarHBondContact O-N 3.18Å
212G81.1Confident84.3Confident25 Ų2595.9 Ų95.926%0.25847%0.474SS..THydrogen-bonded Turntrans80.716.3176.100000115L208 S210 D224L208-G212 PolarHBondContact O-N 3.42Å; S210-G212 PolarHBondContact O-N 2.9Å; G212-D224 PolarHBondContact O-N 3.02Å
213W83.6Confident83.8Confident87 Ų8797.5 Ų97.533%0.3348%0.478SS..EExtended strand (participates in β ladder)trans-82.6131.7175.3-60.480.7000110.9L208 W221 V222 K223L208-W213 HydrophobicContact CB-CB 4.02Å; L208-W213 HydrophobicContact CB-CG 4.35Å; L208-W213 HydrophobicContact CD2-CB 4.49Å; L208-W213 HydrophobicContact CG-CB 4.24Å; L208-W213 HydrophobicContact CG-CG 4.15Å; L208-W213 WeakPolarHBondContact O-CA 3.42Å; L208-W213 VanDerWaalsContact O-CB 3.24Å; L208-W213 WeakPolarHBondContact O-CB 3.45Å; L208-W213 PolarHBondContact O-N 3.15Å; W213-W221 HydrophobicContact CB-CE3 3.71Å; W213-W221 HydrophobicContact CB-CZ3 4.29Å; W213-W221 HydrophobicContact CE3-CB 4.03Å; W213-W221 WeakPolarHBondContact CZ3-O 3.49Å; W213-W221 WeakPolarHBondContact O-CZ3 3.25Å; W213-V222 WeakPolarHBondContact CA-O 3.47Å; W213-V222 VanDerWaalsContact CE3-C 3.5Å; W213-K223 HydrophobicContact CD2-CB 3.97Å; W213-K223 HydrophobicContact CD2-CG 4.26Å; W213-K223 HydrophobicContact CE3-CB 3.81Å; W213-K223 VanDerWaalsContact CE3-N 3.34Å; W213-K223 HydrophobicContact CH2-CB 3.88Å; W213-K223 HydrophobicContact CH2-CD 4.48Å; W213-K223 HydrophobicContact CZ2-CB 4.03Å; W213-K223 HydrophobicContact CZ2-CD 3.95Å; W213-K223 HydrophobicContact CZ2-CG 4.25Å; W213-K223 HydrophobicContact CZ3-CB 3.77Å
214V82.4Confident82.6Confident65 Ų6595.6 Ų95.639%0.39447%0.471SS..EExtended strand (participates in β ladder)trans-118.2148177.11790000108.6W221 V222 D224V214-W221 WeakPolarHBondContact O-CA 3.48Å; V214-V222 PolarHBondContact N-O 3.48Å; V214-V222 PolarHBondContact O-N 3.34Å; V214-D224 HydrophobicContact CG2-CB 4.42Å
215Q85.4Confident81.2Confident97 Ų9798.5 Ų98.545%0.45349%0.485SS..EExtended strand (participates in β ladder)trans-86.4124.2172.5-73.4-173.9-17.100109.8Q220 W221Q215-Q220 WeakPolarHBondContact CA-O 3.36Å; Q215-W221 HydrophobicContact CG-CD2 3.7Å; Q215-W221 HydrophobicContact CG-CE3 3.75Å; Q215-W221 HydrophobicContact CG-CG 4.4Å; Q215-W221 HydrophobicContact CG-CH2 3.95Å; Q215-W221 HydrophobicContact CG-CZ2 3.86Å; Q215-W221 HydrophobicContact CG-CZ3 3.89Å; Q215-W221 VanDerWaalsContact NE2-CE2 3.28Å
216D81.9Confident79.5Confident76 Ų76100.5 Ų100.541%0.40650%0.502SS..  trans-64.3169.4169.7-77.4-13.3000111.1N218 G219 Q220 V222D216-N218 PolarHBondContact O-N 3.02Å; D216-G219 PolarHBondContact O-N 3.32Å; D216-Q220 PolarHBondContact N-O 3.42Å; D216-V222 WeakPolarHBondContact OD2-CG2 3.4Å
217R82.1Confident77.9Confident258 Ų25899.8 Ų99.897%0.97450%0.502SS*.THydrogen-bonded Turntrans-54-18171.5-71.4176.7127.2-170.2-1.8113.6
218N80.8Confident76.2Confident131 Ų131101.5 Ų101.570%0.70151%0.512SS*.THydrogen-bonded Turntrans-96.31.4179.6-6361.1000113D216 Q220D216-N218 PolarHBondContact O-N 3.02Å; N218-Q220 VanDerWaalsContact C-N 3.29Å; N218-Q220 PolarHBondContact O-N 2.94Å
219G79.1Confident74Confident43 Ų43109 Ų10944%0.44354%0.544SS..SBendtrans76.410.8179.300000114.9D216D216-G219 PolarHBondContact O-N 3.32Å
220Q81.8Confident72.2Confident122 Ų122109.7 Ų109.757%0.5755%0.553SS**  trans-88.3140.6175.6-72.9156.9-52.800110.2Q215 D216 N218 V222Q215-Q220 WeakPolarHBondContact CA-O 3.36Å; D216-Q220 PolarHBondContact N-O 3.42Å; N218-Q220 VanDerWaalsContact C-N 3.29Å; N218-Q220 PolarHBondContact O-N 2.94Å; Q220-V222 PolarHBondContact O-N 3.34Å
221W82Confident71Confident71 Ų71110.3 Ų110.327%0.26956%0.557SS.*EExtended strand (participates in β ladder)trans-80.1113.6176.6-67.8100.9000109.9Y205 L208 K209 W213 V214 Q215Y205-W221 AromaticContact CD2-CH2 3.59Å; Y205-W221 HydrophobicContact CD2-CH2 3.59Å; Y205-W221 AromaticContact CD2-CZ2 3.49Å; Y205-W221 HydrophobicContact CD2-CZ2 3.49Å; Y205-W221 VanDerWaalsContact CD2-CZ2 3.49Å; Y205-W221 AromaticContact CE2-CH2 3.41Å; Y205-W221 HydrophobicContact CE2-CH2 3.41Å; Y205-W221 VanDerWaalsContact CE2-CH2 3.41Å; Y205-W221 AromaticContact CE2-CZ2 3.64Å; Y205-W221 HydrophobicContact CE2-CZ2 3.64Å; L208-W221 HydrophobicContact CB-CD2 4.4Å; L208-W221 HydrophobicContact CB-CE3 4.12Å; L208-W221 HydrophobicContact CB-CH2 4.24Å; L208-W221 HydrophobicContact CB-CZ3 4.02Å; L208-W221 HydrophobicContact CD2-CB 3.95Å; L208-W221 HydrophobicContact CD2-CD2 3.37Å; L208-W221 HydrophobicContact CD2-CE3 3.87Å; L208-W221 HydrophobicContact CD2-CG 3.41Å; L208-W221 VanDerWaalsContact CD2-CG 3.41Å; L208-W221 HydrophobicContact CD2-CZ2 4.28Å; L208-W221 HydrophobicContact CD2-CZ3 4.47Å; L208-W221 HydrophobicContact CG-CD2 4.48Å; K209-W221 HydrophobicContact CD-CH2 4.36Å; K209-W221 HydrophobicContact CD-CZ3 4.19Å; K209-W221 HydrophobicContact CG-CH2 4.18Å; K209-W221 HydrophobicContact CG-CZ3 4.29Å; W213-W221 HydrophobicContact CB-CE3 3.71Å; W213-W221 HydrophobicContact CB-CZ3 4.29Å; W213-W221 HydrophobicContact CE3-CB 4.03Å; W213-W221 WeakPolarHBondContact CZ3-O 3.49Å; W213-W221 WeakPolarHBondContact O-CZ3 3.25Å; V214-W221 WeakPolarHBondContact O-CA 3.48Å; Q215-W221 HydrophobicContact CG-CD2 3.7Å; Q215-W221 HydrophobicContact CG-CE3 3.75Å; Q215-W221 HydrophobicContact CG-CG 4.4Å; Q215-W221 HydrophobicContact CG-CH2 3.95Å; Q215-W221 HydrophobicContact CG-CZ2 3.86Å; Q215-W221 HydrophobicContact CG-CZ3 3.89Å; Q215-W221 VanDerWaalsContact NE2-CE2 3.28Å
222V80.3Confident69.5Low62 Ų62112.6 Ų112.638%0.37657%0.57SS.*EExtended strand (participates in β ladder)trans-114137.4174.8179.30000108.5W213 V214 D216 Q220 D224W213-V222 WeakPolarHBondContact CA-O 3.47Å; W213-V222 VanDerWaalsContact CE3-C 3.5Å; V214-V222 PolarHBondContact N-O 3.48Å; V214-V222 PolarHBondContact O-N 3.34Å; D216-V222 WeakPolarHBondContact OD2-CG2 3.4Å; Q220-V222 PolarHBondContact O-N 3.34Å; V222-D224 PolarHBondContact O-N 3.36Å
223K76.6Confident68.3Low134 Ų134119.4 Ų119.458%0.58360%0.595SS**EExtended strand (participates in β ladder)trans-82.9114178.1-161.5176.3-174.5-172.10107.3W213 E225W213-K223 HydrophobicContact CD2-CB 3.97Å; W213-K223 HydrophobicContact CD2-CG 4.26Å; W213-K223 HydrophobicContact CE3-CB 3.81Å; W213-K223 VanDerWaalsContact CE3-N 3.34Å; W213-K223 HydrophobicContact CH2-CB 3.88Å; W213-K223 HydrophobicContact CH2-CD 4.48Å; W213-K223 HydrophobicContact CZ2-CB 4.03Å; W213-K223 HydrophobicContact CZ2-CD 3.95Å; W213-K223 HydrophobicContact CZ2-CG 4.25Å; W213-K223 HydrophobicContact CZ3-CB 3.77Å; K223-E225 PolarHBondContact O-N 3.41Å
224D63.8Low66.9Low72 Ų72123.7 Ų123.739%0.38562%0.619SS.*  trans-74.4110.3179.8-166.5-16.1000108.5G212 V214 V222 N226 V227G212-D224 PolarHBondContact O-N 3.02Å; V214-D224 HydrophobicContact CG2-CB 4.42Å; V222-D224 PolarHBondContact O-N 3.36Å; D224-N226 PolarHBondContact O-N 3.02Å; D224-N226 WeakPolarHBondContact OD1-CB 3.46Å; D224-N226 PolarHBondContact OD1-N 3.24Å; D224-V227 HydrophobicContact CB-CG2 4.08Å
225E61.8Low66Low180 Ų180127.7 Ų127.784%0.84163%0.633SS**THydrogen-bonded Turntrans-76.6-6.6179.7-157.5171.3-18000111.6K223K223-E225 PolarHBondContact O-N 3.41Å
226N53.8Low64.9Low140 Ų140128.4 Ų128.475%0.74965%0.646SS**THydrogen-bonded Turntrans-103.28.5-176.6-67.196.4000114.4D224 E228D224-N226 PolarHBondContact O-N 3.02Å; D224-N226 WeakPolarHBondContact OD1-CB 3.46Å; D224-N226 PolarHBondContact OD1-N 3.24Å; N226-E228 PolarHBondContact O-N 2.99Å
227V56.9Low63.7Low95 Ų95128.5 Ų128.558%0.57666%0.658SS**  trans-84.760.4166.4-167.10000109D224 F229D224-V227 HydrophobicContact CB-CG2 4.08Å; V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 PolarHBondContact O-N 3.33Å; V227-F229 VanDerWaalsContact O-N 3.08Å
228E52.2Low62.4Low166 Ų166121.4 Ų121.478%0.77665%0.645SS**  trans-65.2100.8152-71.4-179.7155.700105.2N226 D230N226-E228 PolarHBondContact O-N 2.99Å; E228-D230 PolarHBondContact O-N 2.98Å
229F43.9Very low60.9Low183 Ų183123.3 Ų123.380%0.80365%0.654SS**  trans-6499.4158.1-155.5-93.3000104.4V227 S231V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 PolarHBondContact O-N 3.33Å; V227-F229 VanDerWaalsContact O-N 3.08Å; F229-S231 PolarHBondContact O-N 3.14Å
230D46.2Very low59.9Low125 Ų125127.2 Ų127.267%0.66867%0.669SS**  trans-55.393.6164.3-101.8-23.9000105.7E228 D232E228-D230 PolarHBondContact O-N 2.98Å; D230-D232 PolarHBondContact O-N 3.09Å
231S54.6Low58.8Low103 Ų103126.8 Ų126.872%0.7268%0.677SS**  trans-66.272.7148-86.20000106F229 E233F229-S231 PolarHBondContact O-N 3.14Å; S231-E233 PolarHBondContact O-N 3.36Å
232D50Low56.9Low130 Ų130131.9 Ų131.970%0.69571%0.708SS**  trans-7664158.570.7-27.1000108.3D230 E234D230-D232 PolarHBondContact O-N 3.09Å; D232-E234 PolarHBondContact O-N 3.19Å
233E54.4Low55.4Low167 Ų167133.6 Ų133.678%0.7872%0.723SS**  trans-59.576149.9-175.4-177.1101.400107.7S231 E235S231-E233 PolarHBondContact O-N 3.36Å; E233-E235 VanDerWaalsContact C-N 3.25Å; E233-E235 PolarHBondContact O-N 3.13Å; E233-E235 VanDerWaalsContact O-N 3.14Å
234E54.8Low53.7Low178 Ų178134 Ų13483%0.83274%0.737SS**  trans-80.884.3161.1-166.3171.615900107.4D232 P236D232-E234 PolarHBondContact O-N 3.19Å; E234-P236 WeakPolarHBondContact O-CD 3.41Å
235E62.7Low52.8Low148 Ų148139.7 Ų139.769%0.69278%0.782SS**PPolyproline II helixtrans-55.8118.7167.6-172-179167.500108.5E233 A237E233-E235 VanDerWaalsContact C-N 3.25Å; E233-E235 PolarHBondContact O-N 3.13Å; E233-E235 VanDerWaalsContact O-N 3.14Å; E235-A237 PolarHBondContact O-N 3.35Å; E235-A237 VanDerWaalsContact O-N 3.09Å
236P62.3Low52.4Low113 Ų113137.7 Ų137.773%0.73478%0.779SS**PPolyproline II helixtrans-65.3118.7179.424.5-31.6000109.4E234E234-P236 WeakPolarHBondContact O-CD 3.41Å
237A56.7Low52.3Low78 Ų78137.5 Ų137.565%0.64578%0.781SS**PPolyproline II helixtrans-50.1131179.700000111.8E235 L239E235-A237 PolarHBondContact O-N 3.35Å; E235-A237 VanDerWaalsContact O-N 3.09Å; A237-L239 PolarHBondContact O-N 3.18Å
238P55.8Low52.1Low109 Ų109139.9 Ų139.971%0.70879%0.792SS**  trans-76.4106.9178.228.5-30.8000110.1V240P238-V240 PolarHBondContact O-N 3.25Å
239L48.6Very low52Low171 Ų171138.4 Ų138.490%0.89579%0.793SS**  trans-86.291.8168.7-62-175.5000110.1A237A237-L239 PolarHBondContact O-N 3.18Å
240V59.6Low52.6Low125 Ų125135.6 Ų135.676%0.75879%0.793SS**  trans-62.7152.5165.1-128.20000109.7P238P238-V240 PolarHBondContact O-N 3.25Å
241P57Low53Low112 Ų112136.3 Ų136.373%0.72780%0.801SS**  trans-87.7144.5-161.335.4-29.3000112
242L43.5Very low52.9Low179 Ų179138.6 Ų138.694%0.93781%0.807SS**  trans-113.8101166-77.8167.9000109.9
243S48Very low53.1Low97 Ų97139.3 Ų139.368%0.67882%0.815SS**  trans-73.4158.9154.3-62.90000110
244T40.1Very low53Low143 Ų143137 Ų13788%0.87782%0.818SS**  trans80.7124.6173.374.60000113.4
245S46.7Very low52.8Low191 Ų191133.3 Ų133.3100%1.33682%0.817SS**  cis-147.4035.8-167.70000113.6

Retrieved 245 of 245 residues in 263.5 ms (Link to these results)