A0A087X6Q4_POEFO Loading...

Zgc:113337

AlphaFold DB , UniProt , Accession A0A087X6Q4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low38Very low233 Ų233154.2 Ų154.2100%1.14884%0.839SS**  079.80-159.5169.6164.900106.8
2M32.3Very low38.6Very low178 Ų178157.3 Ų157.388%0.87784%0.844SS**  55.593.9106.9-73.8-168.3-74.300115.4
3I31Very low39.3Very low158 Ų158155.2 Ų155.281%0.8184%0.839SS**  trans15.5152.8130.2-49.9171.9000117.8
4P41.8Very low39.9Very low109 Ų109151.6 Ų151.671%0.70883%0.832SS**  cis-130.7165.69.915.512.6000115.5
5V39.9Very low39.9Very low119 Ų119155.2 Ų155.272%0.72184%0.837SS**  62.9119.873.6-172.40000116.6
6T40.8Very low40.1Very low134 Ų134156.3 Ų156.382%0.82284%0.841SS**  trans68.9118.3160.850.70000120.3
7C34.7Very low40.4Very low123 Ų123156 Ų15683%0.83184%0.838SS**  -178.3146.1112.3-158.60000111.1
8R36Very low40.5Very low228 Ų228156.7 Ų156.786%0.8684%0.84SS**  trans92.161.4171.6-55.8-166.8-178.2-150.40.4117.5G10R8-G10 PolarHBondContact O-N 2.78Å
9I46.7Very low40.5Very low187 Ų187157.6 Ų157.696%0.95984%0.844SS**  -44.6113.7125.2-63162.8000107.5
10G41.3Very low40.5Very low60 Ų60157.2 Ų157.262%0.61984%0.84SS**  trans150.247.7178.400000114.2R8R8-G10 PolarHBondContact O-N 2.78Å
11L36.6Very low40.4Very low167 Ų167152.2 Ų152.287%0.87483%0.826SS**SBendtrans-157.323.9167.2-107.5138.6000112.9
12Q45.8Very low40.6Very low192 Ų192148.3 Ų148.390%0.89781%0.805SS**SBendtrans-107.511.9-179.8-132.5-170.7-6.900114.8
13V47Very low41.1Very low129 Ų129145.4 Ų145.478%0.78280%0.797SS**SBendtrans-145.766.9179.5-166.80000111
14S47.7Very low42.2Very low106 Ų106144.3 Ų144.374%0.74179%0.788SS**SBendtrans-152.77.4172.3-41.90000116.5
15F40.7Very low43.2Very low205 Ų205139.5 Ų139.590%0.89976%0.759SS**SBendtrans-137.332.4-178.5-116.1-84.7000114.2
16L41.9Very low45.4Very low173 Ų173142.6 Ų142.691%0.90676%0.757SS**SBendtrans-138.529.6174.7-124.7118000113.8
17L45.8Very low47.9Very low151 Ų151136.7 Ų136.779%0.79172%0.721SS**  trans-138.779.1172.1-82.4164.5000108.3
18L42.8Very low50.7Low168 Ų168135 Ų13588%0.8871%0.707SS**  trans-170.650157.9-99.3159.5000110.2
19L39.3Very low53.4Low175 Ų175125.1 Ų125.192%0.91667%0.674SS**  trans-12855.4149.9-77.4170.8000107.2G21L19-G21 PolarHBondContact O-N 2.92Å
20I42.1Very low55.7Low149 Ų149118.9 Ų118.976%0.76465%0.646SS**  trans-70.187.8150.1-57.9175.2000103.2Q22I20-Q22 PolarHBondContact O-N 3.3Å
21G36.9Very low58.2Low52 Ų52119.7 Ų119.754%0.53665%0.646SS.*  trans-52.7112.6163.100000105.6L19 T23L19-G21 PolarHBondContact O-N 2.92Å; G21-T23 PolarHBondContact O-N 3.15Å
22Q41.6Very low61Low152 Ų152122 Ų12271%0.7164%0.644SS**  trans-54.9102.8162.9-82.4179-27.700105.2I20 H24I20-Q22 PolarHBondContact O-N 3.3Å; Q22-H24 PolarHBondContact O-N 3.22Å; Q22-H24 PolarHBondContact O-ND1 2.83Å; Q22-H24 PolarHBondContact OE1-CE1 2.86Å
23T41.9Very low63.4Low116 Ų116114.8 Ų114.871%0.71261%0.611SS**  trans-67.881.7169.451.70000105.3G21 G25G21-T23 PolarHBondContact O-N 3.15Å; T23-G25 PolarHBondContact O-N 3.02Å
24H54.7Low65.7Low136 Ų136113.8 Ų113.863%0.6360%0.596SS**  trans-54.1126170.8-71.974.7000106.3Q22 R26Q22-H24 PolarHBondContact O-N 3.22Å; Q22-H24 PolarHBondContact O-ND1 2.83Å; Q22-H24 PolarHBondContact OE1-CE1 2.86Å; H24-R26 PolarHBondContact O-N 3.05Å
25G62.6Low68.1Low8 Ų8108.8 Ų108.88%0.08256%0.561CS.*  trans-50.3137.3179.800000110.3T23 S48 D50 K122T23-G25 PolarHBondContact O-N 3.02Å; G25-S48 CarbonylContact C-O 3.57Å; G25-S48 WeakPolarHBondContact CA-O 3.43Å; G25-D50 VanDerWaalsContact N-CG 3.29Å; G25-D50 PolarHBondContact N-OD1 2.8Å; G25-D50 VanDerWaalsContact N-OD1 3.1Å; G25-D50 PolarHBondContact N-OD2 3.02Å; G25-K122 VanDerWaalsContact CA-NZ 3.31Å; G25-K122 VanDerWaalsContact O-CD 3.24Å; G25-K122 WeakPolarHBondContact O-CD 3.47Å; G25-K122 WeakPolarHBondContact O-CE 3.21Å; G25-K122 PolarHBondContact O-NZ 2.94Å
26R86.6Confident70.7Confident184 Ų184102.2 Ų102.269%0.69454%0.539SS*.  trans-134.3143.1-171.2-177.3178.1-179.7-1792.4109.5H24 S48H24-R26 PolarHBondContact O-N 3.05Å; R26-S48 PolarHBondContact N-O 3.14Å; R26-S48 VanDerWaalsContact N-O 3.08Å; R26-S48 WeakPolarHBondContact O-CB 3.41Å; R26-S48 PolarHBondContact O-N 3.2Å
27V92.3Very high73.3Confident10 Ų1095.1 Ų95.16%0.06150%0.503CS..EExtended strand (participates in β ladder)trans-88.1127.8167.5-178.20000108.7C45 T46 L47 F114 K122V27-C45 HydrophobicContact CG1-CB 4.08Å; V27-T46 CarbonylContact C-O 3.55Å; V27-T46 WeakPolarHBondContact CA-O 3.41Å; V27-L47 HydrophobicContact CG2-CD1 3.84Å; V27-F114 HydrophobicContact CB-CD2 4.46Å; V27-F114 HydrophobicContact CG1-CD2 3.95Å; V27-F114 HydrophobicContact CG1-CE2 3.71Å; V27-F114 HydrophobicContact CG2-CB 4.46Å; V27-F114 HydrophobicContact CG2-CD2 3.58Å; V27-F114 HydrophobicContact CG2-CE2 4.15Å; V27-F114 HydrophobicContact CG2-CG 4.26Å; V27-K122 HydrophobicContact CG2-CB 3.72Å
28T93.8Very high75.6Confident86 Ų8693.2 Ų93.253%0.52849%0.493SS..EExtended strand (participates in β ladder)trans-114.1130.3178.6-55.70000108.7T46T28-T46 PolarHBondContact N-O 3.38Å; T28-T46 PolarHBondContact O-N 3Å
29A94.1Very high78.1Confident22 Ų2291 Ų9118%0.18248%0.477CS..  trans-137.4148.9176.800000108.7A31A29-A31 PolarHBondContact O-N 3.36Å
30P95.1Very high80.8Confident56 Ų5686.8 Ų86.836%0.36446%0.46SS..  trans-56.6134.5169.1-22.634.2000110.2L33 T44 T126P30-L33 HydrophobicContact CB-CD1 4.22Å; P30-L33 HydrophobicContact CB-CD2 3.66Å; P30-L33 HydrophobicContact CB-CG 3.93Å; P30-L33 HydrophobicContact CG-CD1 4.36Å; P30-L33 HydrophobicContact CG-CD2 4.12Å; P30-T44 WeakPolarHBondContact CD-O 3.32Å; P30-T126 WeakPolarHBondContact O-CA 3.43Å; P30-T126 WeakPolarHBondContact O-CB 3.48Å; P30-T126 PolarHBondContact O-OG1 2.84Å
31A93.7Very high83.5Confident76 Ų7681.7 Ų81.763%0.62843%0.432SS*.SBendtrans-70.1-40.1-176.400000112.4A29 C127A29-A31 PolarHBondContact O-N 3.36Å; A31-C127 PolarHBondContact O-N 2.82Å
32R95.4Very high86.3Confident216 Ų21682.1 Ų82.182%0.81543%0.425SS*.EExtended strand (participates in β ladder)trans-141.8135.8-179.4-63.4-173-179-152.2-0.5110.4C127R32-C127 CarbonylContact C-O 3.6Å; R32-C127 WeakPolarHBondContact CA-O 3Å
33L96.3Very high88.9Confident40 Ų4074.9 Ų74.921%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-129.1144.9179.6-65.9174.4000109.1P30 F41 L43 T126 C127 L128 T129P30-L33 HydrophobicContact CB-CD1 4.22Å; P30-L33 HydrophobicContact CB-CD2 3.66Å; P30-L33 HydrophobicContact CB-CG 3.93Å; P30-L33 HydrophobicContact CG-CD1 4.36Å; P30-L33 HydrophobicContact CG-CD2 4.12Å; L33-F41 HydrophobicContact CB-CE1 3.89Å; L33-F41 HydrophobicContact CB-CZ 3.98Å; L33-F41 HydrophobicContact CD1-CE1 3.96Å; L33-F41 HydrophobicContact CD1-CZ 4.46Å; L33-F41 HydrophobicContact CG-CE1 4.44Å; L33-L43 HydrophobicContact CD1-CD2 3.69Å; L33-T126 WeakPolarHBondContact CD1-OG1 3.16Å; L33-C127 PolarHBondContact N-O 3.46Å; L33-L128 HydrophobicContact CB-CD1 4.03Å; L33-L128 WeakPolarHBondContact O-CA 3.15Å; L33-T129 PolarHBondContact O-N 2.68Å; L33-T129 PolarHBondContact O-OG1 3.07Å
34K95.3Very high91.5Very high109 Ų10971.8 Ų71.847%0.47437%0.372SS..EExtended strand (participates in β ladder)trans-116.2123.7174.9-160.1-176.1-148.4-163.10108.9F41 T129 D131K34-F41 WeakPolarHBondContact O-CE2 3.43Å; K34-T129 CarbonylContact C-O 3.52Å; K34-T129 VanDerWaalsContact CA-O 3.28Å; K34-T129 WeakPolarHBondContact CA-O 3.43Å; K34-D131 HydrophobicContact CD-CB 3.78Å; K34-D131 VanDerWaalsContact CE-CB 3.47Å; K34-D131 VanDerWaalsContact CE-OD2 3.23Å; K34-D131 WeakPolarHBondContact CE-OD2 3.35Å; K34-D131 HydrophobicContact CG-CB 3.86Å; K34-D131 IonicContact NZ-OD1 2.65Å; K34-D131 PolarHBondContact NZ-OD1 2.86Å; K34-D131 IonicContact NZ-OD2 2.71Å; K34-D131 PolarHBondContact NZ-OD2 3.32Å
35A96.3Very high93.5Very high1 Ų165.3 Ų65.31%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-114.4137.7-179.200000111.7F41 V102 L128 T129 V130 D131A35-F41 HydrophobicContact CB-CB 3.85Å; A35-F41 HydrophobicContact CB-CD1 3.84Å; A35-F41 HydrophobicContact CB-CD2 3.46Å; A35-F41 VanDerWaalsContact CB-CD2 3.46Å; A35-F41 HydrophobicContact CB-CE1 4.22Å; A35-F41 HydrophobicContact CB-CE2 3.87Å; A35-F41 HydrophobicContact CB-CG 3.44Å; A35-F41 VanDerWaalsContact CB-CG 3.44Å; A35-F41 HydrophobicContact CB-CZ 4.23Å; A35-V102 HydrophobicContact CB-CB 4.49Å; A35-V102 HydrophobicContact CB-CG1 3.95Å; A35-V102 HydrophobicContact CB-CG2 4.22Å; A35-L128 HydrophobicContact CB-CD1 3.67Å; A35-L128 HydrophobicContact CB-CG 4.41Å; A35-T129 PolarHBondContact N-O 3.23Å; A35-V130 CarbonylContact O-C 3.54Å; A35-V130 WeakPolarHBondContact O-CA 3.33Å; A35-D131 PolarHBondContact O-N 3.03Å
36P96Very high95Very high67 Ų6767.9 Ų67.944%0.43536%0.356SS..EExtended strand (participates in β ladder)trans-70.3136.6171.523.6-24.3000110.9K39 D131P36-K39 HydrophobicContact CB-CB 4.33Å; P36-K39 HydrophobicContact CB-CG 3.99Å; P36-K39 HydrophobicContact CG-CB 3.86Å; P36-K39 HydrophobicContact CG-CG 3.88Å; P36-K39 PolarHBondContact O-N 2.99Å; P36-D131 WeakPolarHBondContact CA-O 3.48Å
37V95.8Very high95.4Very high24 Ų2459.4 Ų59.415%0.14532%0.324CS..THydrogen-bonded Turntrans-58.4147.1174.671.60000111.6K39 V130 D131 A132 L156V37-K39 PolarHBondContact O-N 3.26Å; V37-V130 HydrophobicContact CB-CG1 3.91Å; V37-V130 HydrophobicContact CG2-CG1 4.29Å; V37-D131 PolarHBondContact N-O 3.19Å; V37-A132 HydrophobicContact CB-CB 4.45Å; V37-A132 HydrophobicContact CG1-CB 3.67Å; V37-L156 HydrophobicContact CB-CD2 4.21Å; V37-L156 HydrophobicContact CB-CG 4.3Å; V37-L156 HydrophobicContact CG2-CD2 3.78Å; V37-L156 HydrophobicContact CG2-CG 4.26Å
38D94.6Very high95.4Very high110 Ų11062 Ų6259%0.58834%0.343SS*.THydrogen-bonded Turntrans58.915.3179.9-69.5-38.1000115.4V102D38-V102 PolarHBondContact N-O 2.96Å
39K95.9Very high94.9Very high123 Ų12362.7 Ų62.754%0.53534%0.339SS..SBendtrans-111.5153.9173.8-60.5-57.3-179.1-172.70111.1P36 V37 V102P36-K39 HydrophobicContact CB-CB 4.33Å; P36-K39 HydrophobicContact CB-CG 3.99Å; P36-K39 HydrophobicContact CG-CB 3.86Å; P36-K39 HydrophobicContact CG-CG 3.88Å; P36-K39 PolarHBondContact O-N 2.99Å; V37-K39 PolarHBondContact O-N 3.26Å; K39-V102 WeakPolarHBondContact O-CG2 3.31Å; K39-V102 PolarHBondContact O-N 2.74Å
40P96.7Very high94.4Very high86 Ų8663.9 Ų63.956%0.55834%0.342SS*.  trans-68.4141.316928.6-33.5000110.3T98 I99 R100P40-T98 HydrophobicContact CB-CG2 4.02Å; P40-I99 CarbonylContact C-O 3.56Å; P40-I99 WeakPolarHBondContact CA-O 3.32Å; P40-R100 WeakPolarHBondContact CA-O 3.48Å; P40-R100 WeakPolarHBondContact CB-O 3.3Å
41F97.3Very high93.8Very high42 Ų4273.5 Ų73.518%0.18437%0.371CS..EExtended strand (participates in β ladder)trans-141137.4177.9-164.9-96.9000111.8L33 K34 A35 L43 T98 I99 V102 L128L33-F41 HydrophobicContact CB-CE1 3.89Å; L33-F41 HydrophobicContact CB-CZ 3.98Å; L33-F41 HydrophobicContact CD1-CE1 3.96Å; L33-F41 HydrophobicContact CD1-CZ 4.46Å; L33-F41 HydrophobicContact CG-CE1 4.44Å; K34-F41 WeakPolarHBondContact O-CE2 3.43Å; A35-F41 HydrophobicContact CB-CB 3.85Å; A35-F41 HydrophobicContact CB-CD1 3.84Å; A35-F41 HydrophobicContact CB-CD2 3.46Å; A35-F41 VanDerWaalsContact CB-CD2 3.46Å; A35-F41 HydrophobicContact CB-CE1 4.22Å; A35-F41 HydrophobicContact CB-CE2 3.87Å; A35-F41 HydrophobicContact CB-CG 3.44Å; A35-F41 VanDerWaalsContact CB-CG 3.44Å; A35-F41 HydrophobicContact CB-CZ 4.23Å; F41-L43 HydrophobicContact CD1-CD2 4.14Å; F41-L43 HydrophobicContact CE1-CD2 4.06Å; F41-T98 CarbonylContact O-C 3.57Å; F41-T98 WeakPolarHBondContact O-CA 3.3Å; F41-I99 PolarHBondContact N-O 2.86Å; F41-I99 PolarHBondContact O-N 3.39Å; F41-V102 HydrophobicContact CB-CG2 3.5Å; F41-L128 HydrophobicContact CD1-CD1 3.74Å; F41-L128 HydrophobicContact CE1-CD1 3.58Å; F41-L128 HydrophobicContact CZ-CD1 4.35Å
42T96.8Very high93.3Very high61 Ų6173.2 Ų73.237%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-108.3120.1-173.3-54.90000111.3A88 A96 I97 T98T42-A88 HydrophobicContact CG2-CB 4.04Å; T42-A96 HydrophobicContact CG2-CB 3.78Å; T42-I97 CarbonylContact C-O 3.45Å; T42-I97 VanDerWaalsContact CA-O 3.25Å; T42-I97 WeakPolarHBondContact CA-O 3.42Å; T42-T98 PolarHBondContact OG1-OG1 3.24Å
43L96.6Very high92.9Very high0 Ų063.6 Ų63.60%034%0.34CS..EExtended strand (participates in β ladder)trans-88.6139.9169.2-55.9177.9000109.1L33 F41 W60 A96 I97 I99 Y110 T126 L128L33-L43 HydrophobicContact CD1-CD2 3.69Å; F41-L43 HydrophobicContact CD1-CD2 4.14Å; F41-L43 HydrophobicContact CE1-CD2 4.06Å; L43-W60 HydrophobicContact CB-CH2 3.94Å; L43-W60 HydrophobicContact CB-CZ3 3.79Å; L43-W60 HydrophobicContact CD1-CZ3 4.38Å; L43-A96 CarbonylContact O-C 3.44Å; L43-A96 WeakPolarHBondContact O-CA 3.46Å; L43-I97 HydrophobicContact CB-CG1 3.97Å; L43-I97 HydrophobicContact CD1-CD1 4.24Å; L43-I97 HydrophobicContact CD1-CG1 4.43Å; L43-I97 PolarHBondContact N-O 2.91Å; L43-I97 PolarHBondContact O-N 3.35Å; L43-I99 HydrophobicContact CD1-CD1 4.47Å; L43-Y110 HydrophobicContact CD1-CD1 3.87Å; L43-Y110 HydrophobicContact CD1-CD2 3.65Å; L43-Y110 HydrophobicContact CD1-CE1 4.28Å; L43-Y110 HydrophobicContact CD1-CE2 4.1Å; L43-Y110 HydrophobicContact CD1-CG 3.52Å; L43-T126 HydrophobicContact CB-CG2 4.44Å; L43-T126 HydrophobicContact CD2-CG2 4.32Å; L43-L128 HydrophobicContact CD2-CD1 4.26Å
44T96.3Very high92.6Very high51 Ų5165.5 Ų65.531%0.31335%0.353SS..EExtended strand (participates in β ladder)trans-135.2138.7-175.9-56.20000111.5P30 S95 A96P30-T44 WeakPolarHBondContact CD-O 3.32Å; T44-S95 WeakPolarHBondContact CA-O 3.37Å; T44-A96 HydrophobicContact CG2-CB 4.44Å
45C95.8Very high92.4Very high0 Ų062.5 Ų62.50%034%0.342CS..EExtended strand (participates in β ladder)trans-128.8142.5168.2-70.80000111V27 W60 S94 S95 C112 F114V27-C45 HydrophobicContact CG1-CB 4.08Å; C45-W60 HydrophobicContact CB-CH2 4.11Å; C45-W60 HydrophobicContact CB-CZ2 4.08Å; C45-W60 WeakPolarHBondContact SG-CH2 3.42Å; C45-S94 CarbonylContact O-C 3.49Å; C45-S94 VanDerWaalsContact O-CA 3.25Å; C45-S94 WeakPolarHBondContact O-CA 3.05Å; C45-S95 PolarHBondContact N-O 2.89Å; C45-S95 PolarHBondContact O-N 3.25Å; C45-C112 HydrophobicContact CB-CB 3.66Å; C45-C112 WeakPolarHBondContact CB-SG 3.33Å; C45-C112 WeakPolarHBondContact SG-CB 3.22Å; C45-C112 CovalentContact SG-SG 2.01Å; C45-C112 PolarHBondContact SG-SG 2.88Å; C45-F114 HydrophobicContact CB-CE2 3.79Å; C45-F114 HydrophobicContact CB-CZ 4.04Å
46T95.1Very high92.1Very high62 Ų6270 Ų7038%0.3837%0.37SS..EExtended strand (participates in β ladder)trans-119.2128.3179-59.90000109.7V27 T28 S94V27-T46 CarbonylContact C-O 3.55Å; V27-T46 WeakPolarHBondContact CA-O 3.41Å; T28-T46 PolarHBondContact N-O 3.38Å; T28-T46 PolarHBondContact O-N 3Å; T46-S94 PolarHBondContact OG1-OG 3.44Å
47L94Very high92Very high5 Ų569.8 Ų69.83%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-94.1122.9175.6173.367.4000109.4V27 K49 L55 D93 F114 L116 K122V27-L47 HydrophobicContact CG2-CD1 3.84Å; L47-K49 HydrophobicContact CD2-CB 4.35Å; L47-K49 HydrophobicContact CG-CB 4.41Å; L47-L55 HydrophobicContact CD2-CD1 4.31Å; L47-D93 PolarHBondContact N-O 3.02Å; L47-D93 WeakPolarHBondContact O-CB 3.42Å; L47-F114 HydrophobicContact CB-CD1 3.83Å; L47-F114 HydrophobicContact CB-CE1 3.87Å; L47-F114 HydrophobicContact CB-CG 4.21Å; L47-F114 HydrophobicContact CB-CZ 4.27Å; L47-F114 HydrophobicContact CD1-CB 4.34Å; L47-F114 HydrophobicContact CD1-CG 4.44Å; L47-F114 HydrophobicContact CD2-CB 4.31Å; L47-F114 HydrophobicContact CD2-CD1 3.88Å; L47-F114 HydrophobicContact CD2-CG 4.3Å; L47-F114 HydrophobicContact CG-CD1 4.34Å; L47-L116 HydrophobicContact CD1-CD1 3.99Å; L47-L116 HydrophobicContact CD2-CD1 4.33Å; L47-L116 HydrophobicContact CD2-CD2 3.64Å; L47-L116 HydrophobicContact CD2-CG 4.46Å; L47-K122 HydrophobicContact CD1-CD 4.41Å
48S91.5Very high92Very high65 Ų6568.7 Ų68.746%0.45536%0.356SS..  trans-90.6114.8159.1-176.10000107.8G25 R26G25-S48 CarbonylContact C-O 3.57Å; G25-S48 WeakPolarHBondContact CA-O 3.43Å; R26-S48 PolarHBondContact N-O 3.14Å; R26-S48 VanDerWaalsContact N-O 3.08Å; R26-S48 WeakPolarHBondContact O-CB 3.41Å; R26-S48 PolarHBondContact O-N 3.2Å
49K84.6Confident92Very high100 Ų10067.4 Ų67.444%0.43534%0.343SS..PPolyproline II helixtrans-99.3146.8-179.474.3-173.9174-1450111.8L47 E53 D93L47-K49 HydrophobicContact CD2-CB 4.35Å; L47-K49 HydrophobicContact CG-CB 4.41Å; K49-E53 WeakPolarHBondContact CA-OE2 3.47Å; K49-E53 HydrophobicContact CB-CB 4.36Å; K49-D93 IonicContact NZ-OD1 2.87Å; K49-D93 PolarHBondContact NZ-OD1 2.94Å; K49-D93 IonicContact NZ-OD2 3.52Å; K49-D93 PolarHBondContact NZ-OD2 2.86Å
50D83.9Confident92.1Very high47 Ų4761.5 Ų61.525%0.25132%0.318SS..PPolyproline II helixtrans-81.6160.6171.6-62.9-45.5000111.1G25 G52 E53 K122G25-D50 VanDerWaalsContact N-CG 3.29Å; G25-D50 PolarHBondContact N-OD1 2.8Å; G25-D50 VanDerWaalsContact N-OD1 3.1Å; G25-D50 PolarHBondContact N-OD2 3.02Å; D50-G52 PolarHBondContact O-N 2.85Å; D50-E53 HydrophobicContact CB-CG 4.06Å; D50-E53 PolarHBondContact N-OE2 2.97Å; D50-E53 PolarHBondContact O-N 2.85Å; D50-K122 IonicContact OD2-NZ 3.27Å; D50-K122 PolarHBondContact OD2-NZ 2.94Å
51R81.6Confident92Very high259 Ų25958.5 Ų58.598%0.97730%0.297SS*.THydrogen-bonded Turntrans-61.6126.5179.2-68.3-175-179.3-171.90.7110.1
52G82.9Confident91.9Very high69 Ų6957.3 Ų57.371%0.71129%0.292SS*.THydrogen-bonded Turntrans91.4-4179.500000114.9D50D50-G52 PolarHBondContact O-N 2.85Å
53E88.1Confident91.6Very high15 Ų1558.6 Ų58.67%0.0730%0.297CS..  trans-77.4133.4173.4-66.3-176.8153.300111.6K49 D50 L116 S119 K122K49-E53 WeakPolarHBondContact CA-OE2 3.47Å; K49-E53 HydrophobicContact CB-CB 4.36Å; D50-E53 HydrophobicContact CB-CG 4.06Å; D50-E53 PolarHBondContact N-OE2 2.97Å; D50-E53 PolarHBondContact O-N 2.85Å; E53-L116 HydrophobicContact CB-CD2 4.5Å; E53-S119 WeakPolarHBondContact CG-OG 3.3Å; E53-S119 WeakPolarHBondContact OE1-CB 3.32Å; E53-S119 PolarHBondContact OE1-OG 2.87Å; E53-K122 IonicContact OE1-NZ 3.05Å; E53-K122 PolarHBondContact OE1-NZ 3.2Å; E53-K122 IonicContact OE2-NZ 3.58Å
54T88.8Confident91.3Very high80 Ų8065.6 Ų65.649%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-114.6129.3171.760.70000110.7L116 S117T54-L116 WeakPolarHBondContact O-CA 3.26Å; T54-S117 PolarHBondContact N-O 2.88Å; T54-S117 VanDerWaalsContact N-O 3.11Å; T54-S117 PolarHBondContact O-N 3.27Å
55L90.9Very high91.1Very high45 Ų4568.9 Ų68.924%0.23634%0.343CS..EExtended strand (participates in β ladder)trans-78.2121.8175-177.363.8000110.5L47 E57 V58 P73 F114 L116L47-L55 HydrophobicContact CD2-CD1 4.31Å; L55-E57 WeakPolarHBondContact CD1-O 3.3Å; L55-V58 HydrophobicContact CD1-CG2 4.13Å; L55-V58 HydrophobicContact CD2-CG2 3.8Å; L55-V58 HydrophobicContact CG-CG2 4.27Å; L55-P73 HydrophobicContact CB-CG 4.29Å; L55-P73 HydrophobicContact CD2-CB 4.35Å; L55-P73 HydrophobicContact CD2-CG 3.44Å; L55-P73 VanDerWaalsContact CD2-CG 3.44Å; L55-P73 HydrophobicContact CG-CG 3.57Å; L55-F114 HydrophobicContact CD1-CB 3.76Å; L55-F114 HydrophobicContact CD1-CD1 3.69Å; L55-F114 HydrophobicContact CD1-CG 4.21Å; L55-F114 HydrophobicContact CD2-CD1 3.93Å; L55-F114 HydrophobicContact CD2-CE1 4.37Å; L55-F114 HydrophobicContact CG-CD1 4.48Å; L55-L116 HydrophobicContact CB-CD2 4.05Å; L55-L116 HydrophobicContact CD1-CD2 3.9Å
56R91.7Very high90.9Very high158 Ų15873.9 Ų73.960%0.59637%0.366SS*.EExtended strand (participates in β ladder)trans-98.4-42.6-179.1-65.8-169.1175.6-169.26112.7P73 E115 S117R56-P73 WeakPolarHBondContact O-CD 3.48Å; R56-E115 PolarHBondContact N-O 2.97Å; R56-S117 PolarHBondContact NH2-OG 2.87Å
57E93.2Very high90.8Very high64 Ų6474.1 Ų74.130%0.29937%0.368SS..EExtended strand (participates in β ladder)trans-150.2149.2-174.2-168.7-178.3179.200110.2L55 R59 Y71 E115L55-E57 WeakPolarHBondContact CD1-O 3.3Å; E57-R59 HydrophobicContact CG-CG 4.16Å; E57-Y71 WeakPolarHBondContact CA-O 3.12Å; E57-E115 HydrophobicContact CB-CB 4.1Å; E57-E115 HydrophobicContact CB-CG 4.2Å; E57-E115 PolarHBondContact O-N 2.84Å
58V95.2Very high90.8Very high0 Ų074 Ų740%037%0.367CS..EExtended strand (participates in β ladder)trans-122.3135.6168.1-177.30000109.2L55 S70 Y71 P73 I113 F114L55-V58 HydrophobicContact CD1-CG2 4.13Å; L55-V58 HydrophobicContact CD2-CG2 3.8Å; L55-V58 HydrophobicContact CG-CG2 4.27Å; V58-S70 VanDerWaalsContact O-CA 3.28Å; V58-S70 WeakPolarHBondContact O-CA 3.32Å; V58-Y71 HydrophobicContact CB-CD1 4.15Å; V58-Y71 HydrophobicContact CB-CE1 3.58Å; V58-Y71 HydrophobicContact CB-CE2 4.45Å; V58-Y71 HydrophobicContact CG1-CE1 3.84Å; V58-Y71 HydrophobicContact CG2-CE1 4.33Å; V58-Y71 HydrophobicContact CG2-CE2 4.46Å; V58-Y71 PolarHBondContact N-O 2.91Å; V58-Y71 PolarHBondContact O-N 2.82Å; V58-P73 HydrophobicContact CG2-CG 4.46Å; V58-I113 CarbonylContact C-O 3.43Å; V58-I113 WeakPolarHBondContact CA-O 3.41Å; V58-F114 HydrophobicContact CG1-CE1 4.36Å; V58-F114 HydrophobicContact CG1-CZ 4.46Å; V58-F114 HydrophobicContact CG2-CD1 3.77Å; V58-F114 HydrophobicContact CG2-CE1 3.91Å
59R96.1Very high91Very high83 Ų8371 Ų7131%0.31335%0.346SS..EExtended strand (participates in β ladder)trans-129.1137.5177.3-59.9-172.8-72170.7-4.7110.9E57 C112 I113 E115E57-R59 HydrophobicContact CG-CG 4.16Å; R59-C112 CarbonylContact O-C 3.57Å; R59-C112 WeakPolarHBondContact O-CA 3.45Å; R59-I113 HydrophobicContact CB-CB 4.44Å; R59-I113 PolarHBondContact N-O 3.06Å; R59-I113 PolarHBondContact O-N 2.81Å; R59-E115 IonicContact CZ-OE1 3.66Å; R59-E115 IonicContact NE-OE1 3.83Å; R59-E115 IonicContact NH2-OE1 2.73Å; R59-E115 PolarHBondContact NH2-OE1 2.81Å
60W96.9Very high91.5Very high0 Ų067.2 Ų67.20%033%0.332CS..EExtended strand (participates in β ladder)trans-111.8127.6172.1-74.681.3000109.4L43 C45 L68 L69 S95 I97 T111 C112 T126L43-W60 HydrophobicContact CB-CH2 3.94Å; L43-W60 HydrophobicContact CB-CZ3 3.79Å; L43-W60 HydrophobicContact CD1-CZ3 4.38Å; C45-W60 HydrophobicContact CB-CH2 4.11Å; C45-W60 HydrophobicContact CB-CZ2 4.08Å; C45-W60 WeakPolarHBondContact SG-CH2 3.42Å; W60-L68 HydrophobicContact CB-CB 4.34Å; W60-L68 PolarHBondContact O-N 2.98Å; W60-L69 PolarHBondContact N-O 2.83Å; W60-L69 PolarHBondContact O-N 2.71Å; W60-S95 PolarHBondContact NE1-OG 3.23Å; W60-I97 HydrophobicContact CB-CD1 3.91Å; W60-I97 HydrophobicContact CD2-CD1 3.54Å; W60-I97 HydrophobicContact CD2-CG1 3.76Å; W60-I97 HydrophobicContact CD2-CG2 4.1Å; W60-I97 HydrophobicContact CE3-CD1 3.5Å; W60-I97 HydrophobicContact CE3-CG1 3.86Å; W60-I97 HydrophobicContact CG-CD1 3.73Å; W60-I97 HydrophobicContact CG-CG1 4.22Å; W60-I97 HydrophobicContact CG-CG2 3.88Å; W60-I97 HydrophobicContact CH2-CG1 4.36Å; W60-I97 HydrophobicContact CZ2-CG1 4.3Å; W60-I97 HydrophobicContact CZ3-CD1 4.2Å; W60-I97 HydrophobicContact CZ3-CG1 4.16Å; W60-T111 CarbonylContact C-O 3.58Å; W60-T111 WeakPolarHBondContact CA-O 3.17Å; W60-C112 HydrophobicContact CD2-CB 3.94Å; W60-C112 HydrophobicContact CE3-CB 3.97Å; W60-C112 HydrophobicContact CH2-CB 3.86Å; W60-C112 HydrophobicContact CZ2-CB 3.79Å; W60-C112 HydrophobicContact CZ3-CB 3.94Å; W60-T126 HydrophobicContact CZ3-CG2 4.28Å
61L95.5Very high92Very high23 Ų2366 Ų6612%0.1232%0.324CS..EExtended strand (participates in β ladder)trans-113.5145176.8-52.7-176.1000110.3Q66 Y110 T111 I113L61-Q66 CarbonylContact C-O 3.57Å; L61-Q66 VanDerWaalsContact CA-O 3.24Å; L61-Q66 WeakPolarHBondContact CA-O 3.33Å; L61-Y110 WeakPolarHBondContact O-CA 3.48Å; L61-T111 PolarHBondContact N-O 2.92Å; L61-T111 PolarHBondContact O-N 3.46Å; L61-I113 HydrophobicContact CD1-CD1 3.61Å; L61-I113 HydrophobicContact CG-CD1 4.11Å
62D93.9Very high92.5Very high17 Ų1758.5 Ų58.59%0.09130%0.3CS..  trans-79.2-176169.370.98.5000112.3K64 N65 Q66 L68 C109 Y110D62-K64 PolarHBondContact O-N 2.81Å; D62-K64 VanDerWaalsContact OD1-C 3.25Å; D62-K64 VanDerWaalsContact OD1-CA 3.32Å; D62-K64 WeakPolarHBondContact OD1-CA 3.16Å; D62-K64 WeakPolarHBondContact OD1-CB 3.28Å; D62-K64 PolarHBondContact OD1-N 2.65Å; D62-N65 PolarHBondContact O-N 2.78Å; D62-N65 VanDerWaalsContact O-N 3.07Å; D62-N65 PolarHBondContact OD1-N 3.39Å; D62-Q66 PolarHBondContact N-O 2.89Å; D62-Q66 WeakPolarHBondContact OD1-CB 2.95Å; D62-Q66 PolarHBondContact OD1-N 2.97Å; D62-Q66 WeakPolarHBondContact OD2-CB 3.47Å; D62-L68 HydrophobicContact CB-CD1 3.94Å; D62-L68 HydrophobicContact CB-CD2 3.98Å; D62-L68 HydrophobicContact CB-CG 3.94Å; D62-C109 CarbonylContact C-O 3.56Å; D62-Y110 HydrophobicContact CB-CE1 4.4Å
63D90.4Very high92.7Very high88 Ų8857.8 Ų57.847%0.47128%0.283SS..THydrogen-bonded Turntrans-65-16.3179.372.1-36.6000113.7C109D63-C109 VanDerWaalsContact CA-O 3.29Å; D63-C109 WeakPolarHBondContact CA-O 3.4Å; D63-C109 PolarHBondContact N-O 2.86Å
64K91.9Very high92.4Very high147 Ų14761.6 Ų61.664%0.63933%0.326SS*.THydrogen-bonded Turntrans-101.811.8177-65.7163.5-167.2163.10112.2D62 Q66D62-K64 PolarHBondContact O-N 2.81Å; D62-K64 VanDerWaalsContact OD1-C 3.25Å; D62-K64 VanDerWaalsContact OD1-CA 3.32Å; D62-K64 WeakPolarHBondContact OD1-CA 3.16Å; D62-K64 WeakPolarHBondContact OD1-CB 3.28Å; D62-K64 PolarHBondContact OD1-N 2.65Å; K64-Q66 HydrophobicContact CB-CG 4.15Å; K64-Q66 PolarHBondContact O-N 3.42Å
65N91.6Very high92.3Very high120 Ų12061 Ų6164%0.64232%0.32SS*.SBendtrans59.721.5-175.3-61.5-39.4000114.4D62D62-N65 PolarHBondContact O-N 2.78Å; D62-N65 VanDerWaalsContact O-N 3.07Å; D62-N65 PolarHBondContact OD1-N 3.39Å
66Q91.9Very high91.7Very high105 Ų10569.3 Ų69.349%0.49135%0.348SS..  trans-82.4141.4172.7-53.6-173.2-1.700109.8L61 D62 K64 L68L61-Q66 CarbonylContact C-O 3.57Å; L61-Q66 VanDerWaalsContact CA-O 3.24Å; L61-Q66 WeakPolarHBondContact CA-O 3.33Å; D62-Q66 PolarHBondContact N-O 2.89Å; D62-Q66 WeakPolarHBondContact OD1-CB 2.95Å; D62-Q66 PolarHBondContact OD1-N 2.97Å; D62-Q66 WeakPolarHBondContact OD2-CB 3.47Å; K64-Q66 HydrophobicContact CB-CG 4.15Å; K64-Q66 PolarHBondContact O-N 3.42Å; Q66-L68 PolarHBondContact O-N 3.5Å
67T93.3Very high91.2Very high66 Ų6669.2 Ų69.241%0.40536%0.359SS..EExtended strand (participates in β ladder)trans-71.5116.2178.3-56.90000110.3
68L92.8Very high90.8Very high4 Ų467.4 Ų67.42%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-80.2-45.8172.5-68167.6000110.9W60 D62 Q66 G81 Q82 V85 I97 Y110W60-L68 HydrophobicContact CB-CB 4.34Å; W60-L68 PolarHBondContact O-N 2.98Å; D62-L68 HydrophobicContact CB-CD1 3.94Å; D62-L68 HydrophobicContact CB-CD2 3.98Å; D62-L68 HydrophobicContact CB-CG 3.94Å; Q66-L68 PolarHBondContact O-N 3.5Å; L68-G81 CarbonylContact O-C 3.58Å; L68-G81 WeakPolarHBondContact O-CA 3.46Å; L68-Q82 PolarHBondContact O-N 3.01Å; L68-V85 HydrophobicContact CD2-CG2 4.44Å; L68-I97 HydrophobicContact CD1-CD1 4.45Å; L68-Y110 HydrophobicContact CD1-CD1 3.26Å; L68-Y110 HydrophobicContact CD1-CE1 3.32Å
69L95.2Very high90.5Very high2 Ų270.2 Ų70.21%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-159134.7-176.3-169.3147.1000110.1W60 Y71 V79 S80 V85 L87 I97W60-L69 PolarHBondContact N-O 2.83Å; W60-L69 PolarHBondContact O-N 2.71Å; L69-Y71 HydrophobicContact CD2-CD1 3.5Å; L69-Y71 VanDerWaalsContact CD2-CD1 3.5Å; L69-Y71 HydrophobicContact CD2-CE1 4.05Å; L69-Y71 HydrophobicContact CD2-CG 4.45Å; L69-V79 HydrophobicContact CD1-CG1 3.98Å; L69-V79 HydrophobicContact CD2-CG1 4.29Å; L69-V79 HydrophobicContact CG-CG1 4.1Å; L69-S80 CarbonylContact C-O 3.59Å; L69-S80 VanDerWaalsContact CA-O 3.31Å; L69-S80 WeakPolarHBondContact CA-O 3.43Å; L69-V85 HydrophobicContact CD1-CG1 4.35Å; L69-L87 HydrophobicContact CD1-CB 4.13Å; L69-L87 HydrophobicContact CD2-CB 4.38Å; L69-L87 HydrophobicContact CD2-CD1 4.15Å; L69-I97 HydrophobicContact CB-CG2 4.41Å; L69-I97 HydrophobicContact CD1-CG2 4.31Å; L69-I97 HydrophobicContact CD2-CG2 4.19Å
70S95.3Very high90.1Very high20 Ų2070 Ų7014%0.1438%0.382CS..EExtended strand (participates in β ladder)trans-131.5149.2169.9630000110.9V58 V79 S80V58-S70 VanDerWaalsContact O-CA 3.28Å; V58-S70 WeakPolarHBondContact O-CA 3.32Å; S70-V79 WeakPolarHBondContact O-CA 3.41Å; S70-S80 PolarHBondContact N-O 3.38Å; S70-S80 PolarHBondContact O-N 3.1Å
71Y94.7Very high89.5Confident21 Ų2172.3 Ų72.38%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-163160177.569-77.2000112.1E57 V58 L69 L87 S95E57-Y71 WeakPolarHBondContact CA-O 3.12Å; V58-Y71 HydrophobicContact CB-CD1 4.15Å; V58-Y71 HydrophobicContact CB-CE1 3.58Å; V58-Y71 HydrophobicContact CB-CE2 4.45Å; V58-Y71 HydrophobicContact CG1-CE1 3.84Å; V58-Y71 HydrophobicContact CG2-CE1 4.33Å; V58-Y71 HydrophobicContact CG2-CE2 4.46Å; V58-Y71 PolarHBondContact N-O 2.91Å; V58-Y71 PolarHBondContact O-N 2.82Å; L69-Y71 HydrophobicContact CD2-CD1 3.5Å; L69-Y71 VanDerWaalsContact CD2-CD1 3.5Å; L69-Y71 HydrophobicContact CD2-CE1 4.05Å; L69-Y71 HydrophobicContact CD2-CG 4.45Å; Y71-L87 HydrophobicContact CD1-CD1 3.85Å; Y71-L87 HydrophobicContact CD1-CD2 4.19Å; Y71-L87 HydrophobicContact CD2-CD2 3.83Å; Y71-L87 HydrophobicContact CE1-CD1 3.35Å; Y71-L87 HydrophobicContact CE1-CD2 4.29Å; Y71-L87 HydrophobicContact CE1-CG 4.48Å; Y71-L87 HydrophobicContact CE2-CD1 4.19Å; Y71-L87 HydrophobicContact CE2-CD2 3.96Å; Y71-L87 HydrophobicContact CG-CD1 4.43Å; Y71-L87 HydrophobicContact CG-CD2 3.95Å; Y71-S95 WeakPolarHBondContact OH-CB 3.37Å; Y71-S95 PolarHBondContact OH-OG 3.33Å
72Q91.8Very high89Confident101 Ų10174 Ų7447%0.47241%0.414SS..  trans-95.8127.2169.7-65178.7-21.700109.9G74 N75 S78Q72-G74 PolarHBondContact O-N 3.22Å; Q72-N75 HydrophobicContact CB-CB 4.28Å; Q72-N75 PolarHBondContact O-N 3.13Å; Q72-N75 VanDerWaalsContact O-N 3.12Å; Q72-S78 PolarHBondContact N-OG 2.75Å; Q72-S78 PolarHBondContact O-OG 2.83Å
73P87.4Confident88.5Confident55 Ų5581.9 Ų81.936%0.35745%0.45SS..THydrogen-bonded Turntrans-57.4132.1179.2-19.827.6000112.1L55 R56 V58 N75L55-P73 HydrophobicContact CB-CG 4.29Å; L55-P73 HydrophobicContact CD2-CB 4.35Å; L55-P73 HydrophobicContact CD2-CG 3.44Å; L55-P73 VanDerWaalsContact CD2-CG 3.44Å; L55-P73 HydrophobicContact CG-CG 3.57Å; R56-P73 WeakPolarHBondContact O-CD 3.48Å; V58-P73 HydrophobicContact CG2-CG 4.46Å; P73-N75 VanDerWaalsContact C-N 3.28Å; P73-N75 PolarHBondContact O-N 3.31Å
74G82.6Confident88.5Confident94 Ų9481.5 Ų81.597%0.96945%0.445SS*.THydrogen-bonded Turntrans83.4-8.4-179.800000115.2Q72Q72-G74 PolarHBondContact O-N 3.22Å
75N86.3Confident88.5Confident67 Ų6775 Ų7536%0.35842%0.417SS..  trans-112.5100.1174.7-176.91.2000110.5Q72 P73 D77 S78Q72-N75 HydrophobicContact CB-CB 4.28Å; Q72-N75 PolarHBondContact O-N 3.13Å; Q72-N75 VanDerWaalsContact O-N 3.12Å; P73-N75 VanDerWaalsContact C-N 3.28Å; P73-N75 PolarHBondContact O-N 3.31Å; N75-D77 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact O-N 3.04Å; N75-D77 PolarHBondContact OD1-N 2.86Å; N75-S78 WeakPolarHBondContact O-CB 3.38Å; N75-S78 PolarHBondContact O-N 3.49Å; N75-S78 PolarHBondContact O-OG 3.01Å
76R77.4Confident88.7Confident221 Ų22172.9 Ų72.983%0.83440%0.404SS*.G310 helixtrans-68.1-28.1-176.9-70.7-175.3173.3-176.4-2.6113.6S78 V79R76-S78 PolarHBondContact O-N 3.48Å; R76-V79 WeakPolarHBondContact O-CG2 3.26Å
77D82.6Confident88.8Confident155 Ų15570.8 Ų70.883%0.82940%0.396SS*.G310 helixtrans-77.6-9.7-179.3-57.1-33.9000112.2N75 V79N75-D77 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact O-N 3.04Å; N75-D77 PolarHBondContact OD1-N 2.86Å; D77-V79 VanDerWaalsContact C-N 3.3Å
78S84.6Confident88.7Confident27 Ų2768.6 Ų68.619%0.18938%0.384CS..G310 helixtrans-81-6.6177.672.40000114.3Q72 N75 R76 S80Q72-S78 PolarHBondContact N-OG 2.75Å; Q72-S78 PolarHBondContact O-OG 2.83Å; N75-S78 WeakPolarHBondContact O-CB 3.38Å; N75-S78 PolarHBondContact O-N 3.49Å; N75-S78 PolarHBondContact O-OG 3.01Å; R76-S78 PolarHBondContact O-N 3.48Å; S78-S80 PolarHBondContact O-N 3.12Å
79V88.6Confident88.6Confident59 Ų5975.4 Ų75.436%0.35843%0.426SS..  trans-68.2117.2-177.8-178.60000109.5L69 S70 R76 D77 L87L69-V79 HydrophobicContact CD1-CG1 3.98Å; L69-V79 HydrophobicContact CD2-CG1 4.29Å; L69-V79 HydrophobicContact CG-CG1 4.1Å; S70-V79 WeakPolarHBondContact O-CA 3.41Å; R76-V79 WeakPolarHBondContact O-CG2 3.26Å; D77-V79 VanDerWaalsContact C-N 3.3Å; V79-L87 HydrophobicContact CG1-CB 4.43Å; V79-L87 HydrophobicContact CG2-CB 4.47Å; V79-L87 HydrophobicContact CG2-CD2 3.78Å
80S87.3Confident88.2Confident78 Ų7877.1 Ų77.155%0.54544%0.438SS..EExtended strand (participates in β ladder)trans-126.7131.6176175.30000108.8L69 S70 S78L69-S80 CarbonylContact C-O 3.59Å; L69-S80 VanDerWaalsContact CA-O 3.31Å; L69-S80 WeakPolarHBondContact CA-O 3.43Å; S70-S80 PolarHBondContact N-O 3.38Å; S70-S80 PolarHBondContact O-N 3.1Å; S78-S80 PolarHBondContact O-N 3.12Å
81G83.9Confident87.8Confident49 Ų4980.6 Ų80.651%0.50546%0.46SS..EExtended strand (participates in β ladder)trans177.7-176-176.100000114.4L68L68-G81 CarbonylContact O-C 3.58Å; L68-G81 WeakPolarHBondContact O-CA 3.46Å
82Q85.4Confident87.1Confident59 Ų5989 Ų8928%0.27650%0.497SS..  trans-75.6142.9177.7-62-178.9-9.300111.1L68 H84 V85L68-Q82 PolarHBondContact O-N 3.01Å; Q82-H84 PolarHBondContact O-N 2.85Å; Q82-H84 VanDerWaalsContact O-N 3.13Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å; Q82-V85 PolarHBondContact O-N 3.49Å; Q82-V85 VanDerWaalsContact O-O 3.05Å
83Q83.3Confident86.9Confident182 Ų18287 Ų8785%0.8549%0.49SS*.THydrogen-bonded Turntrans-65.9-18-172.6-67.1-175.2-20.400115.5R100Q83-R100 PolarHBondContact O-NH1 3.33Å
84H90.6Very high87.2Confident80 Ų8085.2 Ų85.237%0.3748%0.478SS..THydrogen-bonded Turntrans-88.4-6.9-179.770.7-98.6000113.4Q82 R100Q82-H84 PolarHBondContact O-N 2.85Å; Q82-H84 VanDerWaalsContact O-N 3.13Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å; H84-R100 PolarHBondContact O-N 3.26Å
85V92.8Very high87.8Confident10 Ų1080.7 Ų80.76%0.06143%0.432CS..EExtended strand (participates in β ladder)trans-117.2139.7178-173.90000109.2L68 L69 Q82 I97 T98 I99L68-V85 HydrophobicContact CD2-CG2 4.44Å; L69-V85 HydrophobicContact CD1-CG1 4.35Å; Q82-V85 PolarHBondContact O-N 3.49Å; Q82-V85 VanDerWaalsContact O-O 3.05Å; V85-I97 HydrophobicContact CG1-CB 3.84Å; V85-I97 HydrophobicContact CG1-CD1 3.94Å; V85-I97 HydrophobicContact CG1-CG1 4.35Å; V85-I97 HydrophobicContact CG1-CG2 4.45Å; V85-T98 WeakPolarHBondContact CA-O 3.49Å; V85-I99 HydrophobicContact CG2-CG1 4.43Å
86E94Very high88.2Confident76 Ų7677.8 Ų77.836%0.35542%0.417SS..EExtended strand (participates in β ladder)trans-130.5150.6175.664.1-169.3-174.500111.9A88 I97 T98 R100E86-A88 PolarHBondContact O-N 2.82Å; E86-I97 CarbonylContact O-C 3.45Å; E86-I97 WeakPolarHBondContact O-CA 3.39Å; E86-T98 PolarHBondContact N-O 3.42Å; E86-T98 PolarHBondContact O-N 2.77Å; E86-R100 HydrophobicContact CG-CG 4.46Å; E86-R100 IonicContact OE2-CZ 3.9Å; E86-R100 VanDerWaalsContact OE2-CZ 3.28Å; E86-R100 IonicContact OE2-NE 2.78Å; E86-R100 PolarHBondContact OE2-NE 2.87Å; E86-R100 IonicContact OE2-NH2 3.09Å; E86-R100 PolarHBondContact OE2-NH2 2.98Å
87L94.1Very high89.1Confident61 Ų6167.2 Ų67.232%0.31938%0.377SS..EExtended strand (participates in β ladder)trans-71.6120.6174.6-177.166000109.1L69 Y71 V79 A96L69-L87 HydrophobicContact CD1-CB 4.13Å; L69-L87 HydrophobicContact CD2-CB 4.38Å; L69-L87 HydrophobicContact CD2-CD1 4.15Å; Y71-L87 HydrophobicContact CD1-CD1 3.85Å; Y71-L87 HydrophobicContact CD1-CD2 4.19Å; Y71-L87 HydrophobicContact CD2-CD2 3.83Å; Y71-L87 HydrophobicContact CE1-CD1 3.35Å; Y71-L87 HydrophobicContact CE1-CD2 4.29Å; Y71-L87 HydrophobicContact CE1-CG 4.48Å; Y71-L87 HydrophobicContact CE2-CD1 4.19Å; Y71-L87 HydrophobicContact CE2-CD2 3.96Å; Y71-L87 HydrophobicContact CG-CD1 4.43Å; Y71-L87 HydrophobicContact CG-CD2 3.95Å; V79-L87 HydrophobicContact CG1-CB 4.43Å; V79-L87 HydrophobicContact CG2-CB 4.47Å; V79-L87 HydrophobicContact CG2-CD2 3.78Å; L87-A96 WeakPolarHBondContact CD1-O 3.43Å
88A92.5Very high89.7Confident20 Ų2060.5 Ų60.517%0.16534%0.342CS..EExtended strand (participates in β ladder)trans-86.2155.7175.300000110.8T42 E86 S90 A96T42-A88 HydrophobicContact CG2-CB 4.04Å; E86-A88 PolarHBondContact O-N 2.82Å; A88-S90 PolarHBondContact O-N 2.96Å; A88-A96 HydrophobicContact CB-CB 3.82Å; A88-A96 PolarHBondContact N-O 3.26Å
89T89.5Confident90.3Very high146 Ų14659.3 Ų59.390%0.89633%0.334SS*.PPolyproline II helixtrans-69.3124.5175.2-59.90000109.5
90S88.2Confident90.5Very high39 Ų3962.7 Ų62.727%0.27334%0.34SS..  trans-133.8157.8-179.158.10000112.3A88 S94A88-S90 PolarHBondContact O-N 2.96Å; S90-S94 WeakPolarHBondContact CB-O 3.49Å; S90-S94 PolarHBondContact OG-O 3.32Å
91P86.9Confident90.9Very high93 Ų9368 Ų6860%0.60435%0.348SS*.  trans-55.4159.9168.4-25.233.4000112.9D93 S94P91-D93 PolarHBondContact O-N 3.45Å; P91-D93 VanDerWaalsContact O-N 3.11Å; P91-S94 PolarHBondContact O-N 3.49Å
92K80.3Confident91.5Very high196 Ų19665.7 Ų65.785%0.85232%0.324SS*.THydrogen-bonded Turntrans-54.8-33.8-176.6-75.3-173.1176.7-177.30114.7
93D87.2Confident91.9Very high61 Ų6163.9 Ų63.933%0.32632%0.321SS..THydrogen-bonded Turntrans-104.124.1-178.4-59.5-46.8000111.5L47 K49 P91L47-D93 PolarHBondContact N-O 3.02Å; L47-D93 WeakPolarHBondContact O-CB 3.42Å; K49-D93 IonicContact NZ-OD1 2.87Å; K49-D93 PolarHBondContact NZ-OD1 2.94Å; K49-D93 IonicContact NZ-OD2 3.52Å; K49-D93 PolarHBondContact NZ-OD2 2.86Å; P91-D93 PolarHBondContact O-N 3.45Å; P91-D93 VanDerWaalsContact O-N 3.11Å
94S92.9Very high92.4Very high16 Ų1658.9 Ų58.911%0.11230%0.297CS..EExtended strand (participates in β ladder)trans-137.5151.3177.5-62.70000110.7C45 T46 S90 P91C45-S94 CarbonylContact O-C 3.49Å; C45-S94 VanDerWaalsContact O-CA 3.25Å; C45-S94 WeakPolarHBondContact O-CA 3.05Å; T46-S94 PolarHBondContact OG1-OG 3.44Å; S90-S94 WeakPolarHBondContact CB-O 3.49Å; S90-S94 PolarHBondContact OG-O 3.32Å; P91-S94 PolarHBondContact O-N 3.49Å
95S94.6Very high92.6Very high0 Ų066.4 Ų66.40%032%0.321CS..EExtended strand (participates in β ladder)trans-121.5138.8167.8-1750000108.9T44 C45 W60 Y71T44-S95 WeakPolarHBondContact CA-O 3.37Å; C45-S95 PolarHBondContact N-O 2.89Å; C45-S95 PolarHBondContact O-N 3.25Å; W60-S95 PolarHBondContact NE1-OG 3.23Å; Y71-S95 WeakPolarHBondContact OH-CB 3.37Å; Y71-S95 PolarHBondContact OH-OG 3.33Å
96A95.5Very high92.6Very high5 Ų566.9 Ų66.94%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-133.4137.4173.300000110.4T42 L43 T44 L87 A88T42-A96 HydrophobicContact CG2-CB 3.78Å; L43-A96 CarbonylContact O-C 3.44Å; L43-A96 WeakPolarHBondContact O-CA 3.46Å; T44-A96 HydrophobicContact CG2-CB 4.44Å; L87-A96 WeakPolarHBondContact CD1-O 3.43Å; A88-A96 HydrophobicContact CB-CB 3.82Å; A88-A96 PolarHBondContact N-O 3.26Å
97I95.4Very high92.6Very high0 Ų065.8 Ų65.80%032%0.319CS..EExtended strand (participates in β ladder)trans-122.5139.8173.758.8165.7000109.3T42 L43 W60 L68 L69 V85 E86T42-I97 CarbonylContact C-O 3.45Å; T42-I97 VanDerWaalsContact CA-O 3.25Å; T42-I97 WeakPolarHBondContact CA-O 3.42Å; L43-I97 HydrophobicContact CB-CG1 3.97Å; L43-I97 HydrophobicContact CD1-CD1 4.24Å; L43-I97 HydrophobicContact CD1-CG1 4.43Å; L43-I97 PolarHBondContact N-O 2.91Å; L43-I97 PolarHBondContact O-N 3.35Å; W60-I97 HydrophobicContact CB-CD1 3.91Å; W60-I97 HydrophobicContact CD2-CD1 3.54Å; W60-I97 HydrophobicContact CD2-CG1 3.76Å; W60-I97 HydrophobicContact CD2-CG2 4.1Å; W60-I97 HydrophobicContact CE3-CD1 3.5Å; W60-I97 HydrophobicContact CE3-CG1 3.86Å; W60-I97 HydrophobicContact CG-CD1 3.73Å; W60-I97 HydrophobicContact CG-CG1 4.22Å; W60-I97 HydrophobicContact CG-CG2 3.88Å; W60-I97 HydrophobicContact CH2-CG1 4.36Å; W60-I97 HydrophobicContact CZ2-CG1 4.3Å; W60-I97 HydrophobicContact CZ3-CD1 4.2Å; W60-I97 HydrophobicContact CZ3-CG1 4.16Å; L68-I97 HydrophobicContact CD1-CD1 4.45Å; L69-I97 HydrophobicContact CB-CG2 4.41Å; L69-I97 HydrophobicContact CD1-CG2 4.31Å; L69-I97 HydrophobicContact CD2-CG2 4.19Å; V85-I97 HydrophobicContact CG1-CB 3.84Å; V85-I97 HydrophobicContact CG1-CD1 3.94Å; V85-I97 HydrophobicContact CG1-CG1 4.35Å; V85-I97 HydrophobicContact CG1-CG2 4.45Å; E86-I97 CarbonylContact O-C 3.45Å; E86-I97 WeakPolarHBondContact O-CA 3.39Å
98T96.3Very high92.7Very high14 Ų1463.7 Ų63.79%0.08631%0.312CS..EExtended strand (participates in β ladder)trans-108.7122.3177.3-64.10000109.6P40 F41 T42 V85 E86P40-T98 HydrophobicContact CB-CG2 4.02Å; F41-T98 CarbonylContact O-C 3.57Å; F41-T98 WeakPolarHBondContact O-CA 3.3Å; T42-T98 PolarHBondContact OG1-OG1 3.24Å; V85-T98 WeakPolarHBondContact CA-O 3.49Å; E86-T98 PolarHBondContact N-O 3.42Å; E86-T98 PolarHBondContact O-N 2.77Å
99I96.3Very high92.9Very high2 Ų264.8 Ų64.81%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-79.9121.1164.3-58.5172.4000106.2P40 F41 L43 V85 V102 D106 L128P40-I99 CarbonylContact C-O 3.56Å; P40-I99 WeakPolarHBondContact CA-O 3.32Å; F41-I99 PolarHBondContact N-O 2.86Å; F41-I99 PolarHBondContact O-N 3.39Å; L43-I99 HydrophobicContact CD1-CD1 4.47Å; V85-I99 HydrophobicContact CG2-CG1 4.43Å; I99-V102 HydrophobicContact CB-CG2 4Å; I99-V102 HydrophobicContact CG2-CG2 3.88Å; I99-D106 HydrophobicContact CD1-CB 4.25Å; I99-L128 HydrophobicContact CD1-CD2 3.84Å
100R94.4Very high93.2Very high129 Ų12958.4 Ų58.449%0.48728%0.277SS..SBendtrans-67.3-39.8-170.3-71.3178.5169.8167.5-3.5113.6P40 Q83 H84 E86P40-R100 WeakPolarHBondContact CA-O 3.48Å; P40-R100 WeakPolarHBondContact CB-O 3.3Å; Q83-R100 PolarHBondContact O-NH1 3.33Å; H84-R100 PolarHBondContact O-N 3.26Å; E86-R100 HydrophobicContact CG-CG 4.46Å; E86-R100 IonicContact OE2-CZ 3.9Å; E86-R100 VanDerWaalsContact OE2-CZ 3.28Å; E86-R100 IonicContact OE2-NE 2.78Å; E86-R100 PolarHBondContact OE2-NE 2.87Å; E86-R100 IonicContact OE2-NH2 3.09Å; E86-R100 PolarHBondContact OE2-NH2 2.98Å
101R95.4Very high93.7Very high191 Ų19157.1 Ų57.172%0.72127%0.268SS*.SBendtrans-142.6101.7178.5-78-171.9-78.2174.5-5.3107.9
102V95.8Very high94.1Very high0 Ų052.7 Ų52.70%024%0.239CC..  trans-70.9130.8-179.3174.80000110.4A35 D38 K39 F41 I99 D106 V130A35-V102 HydrophobicContact CB-CB 4.49Å; A35-V102 HydrophobicContact CB-CG1 3.95Å; A35-V102 HydrophobicContact CB-CG2 4.22Å; D38-V102 PolarHBondContact N-O 2.96Å; K39-V102 WeakPolarHBondContact O-CG2 3.31Å; K39-V102 PolarHBondContact O-N 2.74Å; F41-V102 HydrophobicContact CB-CG2 3.5Å; I99-V102 HydrophobicContact CB-CG2 4Å; I99-V102 HydrophobicContact CG2-CG2 3.88Å; V102-D106 WeakPolarHBondContact CA-OD2 3.39Å; V102-D106 HydrophobicContact CG1-CB 4.44Å; V102-V130 HydrophobicContact CG1-CB 4.17Å; V102-V130 HydrophobicContact CG1-CG1 3.75Å; V102-V130 HydrophobicContact CG1-CG2 3.29Å
103G94.8Very high94.8Very high20 Ų2044 Ų4421%0.20620%0.202CC..  trans-131.6176.8173.900000112.6R105 D106 V130G103-R105 PolarHBondContact O-N 3.4Å; G103-D106 PolarHBondContact N-OD2 2.99Å; G103-D106 WeakPolarHBondContact O-CB 3.45Å; G103-D106 PolarHBondContact O-N 2.88Å; G103-V130 WeakPolarHBondContact O-CG2 3.35Å
104F94.1Very high95.2Very high78 Ų7841.2 Ų41.234%0.34219%0.187SC..G310 helixtrans-51.7-32.5179.8175.9-106.2000113.9D106 E107 L156 E158 K159F104-D106 VanDerWaalsContact C-N 3.26Å; F104-D106 PolarHBondContact O-N 3.17Å; F104-E107 PolarHBondContact O-N 3.42Å; F104-L156 HydrophobicContact CB-CD2 3.98Å; F104-E158 HydrophobicContact CD1-CB 3.73Å; F104-E158 HydrophobicContact CD1-CG 3.66Å; F104-E158 HydrophobicContact CD2-CB 4.02Å; F104-E158 HydrophobicContact CE1-CB 3.76Å; F104-E158 HydrophobicContact CE1-CG 4Å; F104-E158 HydrophobicContact CE2-CB 4.04Å; F104-E158 HydrophobicContact CG-CB 3.87Å; F104-E158 HydrophobicContact CG-CG 4.03Å; F104-E158 HydrophobicContact CZ-CB 3.91Å; F104-K159 HydrophobicContact CD2-CG 3.99Å; F104-K159 HydrophobicContact CE2-CG 3.84Å
105R92.9Very high95.3Very high237 Ų23742.6 Ų42.689%0.89419%0.192SC*.G310 helixtrans-74.9-12-179-64.7-174.5178.2-171.6-0.2114.5G103 E107G103-R105 PolarHBondContact O-N 3.4Å; R105-E107 VanDerWaalsContact C-N 3.3Å
106D93.8Very high95.1Very high21 Ų2143 Ų4311%0.11219%0.194CC..G310 helixtrans-89.52.7177.3-55.5-45.6000111.8I99 V102 G103 F104 G108 Y110 L128I99-D106 HydrophobicContact CD1-CB 4.25Å; V102-D106 WeakPolarHBondContact CA-OD2 3.39Å; V102-D106 HydrophobicContact CG1-CB 4.44Å; G103-D106 PolarHBondContact N-OD2 2.99Å; G103-D106 WeakPolarHBondContact O-CB 3.45Å; G103-D106 PolarHBondContact O-N 2.88Å; F104-D106 VanDerWaalsContact C-N 3.26Å; F104-D106 PolarHBondContact O-N 3.17Å; D106-G108 PolarHBondContact O-N 2.9Å; D106-Y110 WeakPolarHBondContact CA-OH 3.46Å; D106-Y110 WeakPolarHBondContact O-CE2 3.29Å; D106-Y110 PolarHBondContact O-OH 2.77Å; D106-L128 HydrophobicContact CB-CD2 4.46Å
107E94.5Very high94.8Very high52 Ų5244.3 Ų44.324%0.24320%0.202CC..  trans-69.1127.7170.3-69.1-160.6133.100110.7F104 R105 L128 T129 V130 K159F104-E107 PolarHBondContact O-N 3.42Å; R105-E107 VanDerWaalsContact C-N 3.3Å; E107-L128 WeakPolarHBondContact CA-O 3.31Å; E107-T129 WeakPolarHBondContact OE1-CA 3.33Å; E107-V130 HydrophobicContact CG-CB 3.99Å; E107-V130 HydrophobicContact CG-CG2 3.67Å; E107-V130 PolarHBondContact OE1-N 3.28Å; E107-K159 WeakPolarHBondContact OE1-CE 3.43Å; E107-K159 IonicContact OE1-NZ 3.93Å; E107-K159 PolarHBondContact OE1-NZ 3.1Å; E107-K159 WeakPolarHBondContact OE2-CE 3.34Å; E107-K159 IonicContact OE2-NZ 3.03Å; E107-K159 PolarHBondContact OE2-NZ 3.05Å
108G95.3Very high94.5Very high17 Ų1749.7 Ų49.718%0.17524%0.237CC..EExtended strand (participates in β ladder)trans163.2175.2-177.300000113.3D106 Y110 C127 L128D106-G108 PolarHBondContact O-N 2.9Å; G108-Y110 WeakPolarHBondContact O-CD2 3.41Å; G108-C127 CarbonylContact O-C 3.59Å; G108-C127 WeakPolarHBondContact O-CA 3.48Å; G108-L128 PolarHBondContact N-O 2.88Å; G108-L128 PolarHBondContact O-N 3.43Å
109C96.8Very high94Very high43 Ų4352.1 Ų52.129%0.29126%0.255SS..EExtended strand (participates in β ladder)trans-101.4121.5175.1-61.90000110.3D62 D63 Q125 C127D62-C109 CarbonylContact C-O 3.56Å; D63-C109 VanDerWaalsContact CA-O 3.29Å; D63-C109 WeakPolarHBondContact CA-O 3.4Å; D63-C109 PolarHBondContact N-O 2.86Å; C109-Q125 HydrophobicContact CB-CG 4.18Å; C109-C127 HydrophobicContact CB-CB 4.13Å; C109-C127 WeakPolarHBondContact CB-SG 3.44Å; C109-C127 WeakPolarHBondContact SG-CB 3.4Å; C109-C127 CovalentContact SG-SG 2.05Å; C109-C127 PolarHBondContact SG-SG 3.26Å
110Y96.7Very high93.7Very high12 Ų1253.4 Ų53.45%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-99.5137.1-177.5-64.6-92.5000110L43 L61 D62 L68 D106 G108 Q125 T126 L128L43-Y110 HydrophobicContact CD1-CD1 3.87Å; L43-Y110 HydrophobicContact CD1-CD2 3.65Å; L43-Y110 HydrophobicContact CD1-CE1 4.28Å; L43-Y110 HydrophobicContact CD1-CE2 4.1Å; L43-Y110 HydrophobicContact CD1-CG 3.52Å; L61-Y110 WeakPolarHBondContact O-CA 3.48Å; D62-Y110 HydrophobicContact CB-CE1 4.4Å; L68-Y110 HydrophobicContact CD1-CD1 3.26Å; L68-Y110 HydrophobicContact CD1-CE1 3.32Å; D106-Y110 WeakPolarHBondContact CA-OH 3.46Å; D106-Y110 WeakPolarHBondContact O-CE2 3.29Å; D106-Y110 PolarHBondContact O-OH 2.77Å; G108-Y110 WeakPolarHBondContact O-CD2 3.41Å; Y110-Q125 WeakPolarHBondContact O-CA 3.48Å; Y110-T126 PolarHBondContact N-O 2.82Å; Y110-T126 PolarHBondContact O-N 2.87Å; Y110-L128 HydrophobicContact CD2-CB 4.15Å; Y110-L128 HydrophobicContact CE2-CB 3.75Å; Y110-L128 HydrophobicContact CE2-CD2 4.16Å
111T97.1Very high93.6Very high13 Ų1350.6 Ų50.68%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-113.3124.6179.5-540000109.9W60 L61 I113 Q123 G124W60-T111 CarbonylContact C-O 3.58Å; W60-T111 WeakPolarHBondContact CA-O 3.17Å; L61-T111 PolarHBondContact N-O 2.92Å; L61-T111 PolarHBondContact O-N 3.46Å; T111-I113 HydrophobicContact CG2-CD1 4.47Å; T111-I113 HydrophobicContact CG2-CG1 4Å; T111-Q123 HydrophobicContact CG2-CB 4.18Å; T111-G124 WeakPolarHBondContact CA-O 3.33Å
112C96.2Very high93.5Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-102.6129.1172.856.20000109.1C45 R59 W60 F114 Q123 G124C45-C112 HydrophobicContact CB-CB 3.66Å; C45-C112 WeakPolarHBondContact CB-SG 3.33Å; C45-C112 WeakPolarHBondContact SG-CB 3.22Å; C45-C112 CovalentContact SG-SG 2.01Å; C45-C112 PolarHBondContact SG-SG 2.88Å; R59-C112 CarbonylContact O-C 3.57Å; R59-C112 WeakPolarHBondContact O-CA 3.45Å; W60-C112 HydrophobicContact CD2-CB 3.94Å; W60-C112 HydrophobicContact CE3-CB 3.97Å; W60-C112 HydrophobicContact CH2-CB 3.86Å; W60-C112 HydrophobicContact CZ2-CB 3.79Å; W60-C112 HydrophobicContact CZ3-CB 3.94Å; C112-F114 HydrophobicContact CB-CE2 4.28Å; C112-Q123 CarbonylContact O-C 3.52Å; C112-Q123 WeakPolarHBondContact O-CA 3.24Å; C112-Q123 WeakPolarHBondContact O-CB 3.39Å; C112-G124 PolarHBondContact N-O 2.9Å; C112-G124 PolarHBondContact O-N 3.08Å; C112-G124 PolarHBondContact SG-O 3.02Å
113I95.9Very high93.4Very high14 Ų1449.1 Ų49.17%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-122.1125.7-175.3-54176.8000108.1V58 R59 L61 T111 Q123V58-I113 CarbonylContact C-O 3.43Å; V58-I113 WeakPolarHBondContact CA-O 3.41Å; R59-I113 HydrophobicContact CB-CB 4.44Å; R59-I113 PolarHBondContact N-O 3.06Å; R59-I113 PolarHBondContact O-N 2.81Å; L61-I113 HydrophobicContact CD1-CD1 3.61Å; L61-I113 HydrophobicContact CG-CD1 4.11Å; T111-I113 HydrophobicContact CG2-CD1 4.47Å; T111-I113 HydrophobicContact CG2-CG1 4Å; I113-Q123 HydrophobicContact CG1-CB 4.09Å
114F95Very high93.4Very high1 Ų148.7 Ų48.70%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-109.4116.6176.7-68.6-102.7000108.4V27 C45 L47 L55 V58 C112 S121 K122V27-F114 HydrophobicContact CB-CD2 4.46Å; V27-F114 HydrophobicContact CG1-CD2 3.95Å; V27-F114 HydrophobicContact CG1-CE2 3.71Å; V27-F114 HydrophobicContact CG2-CB 4.46Å; V27-F114 HydrophobicContact CG2-CD2 3.58Å; V27-F114 HydrophobicContact CG2-CE2 4.15Å; V27-F114 HydrophobicContact CG2-CG 4.26Å; C45-F114 HydrophobicContact CB-CE2 3.79Å; C45-F114 HydrophobicContact CB-CZ 4.04Å; L47-F114 HydrophobicContact CB-CD1 3.83Å; L47-F114 HydrophobicContact CB-CE1 3.87Å; L47-F114 HydrophobicContact CB-CG 4.21Å; L47-F114 HydrophobicContact CB-CZ 4.27Å; L47-F114 HydrophobicContact CD1-CB 4.34Å; L47-F114 HydrophobicContact CD1-CG 4.44Å; L47-F114 HydrophobicContact CD2-CB 4.31Å; L47-F114 HydrophobicContact CD2-CD1 3.88Å; L47-F114 HydrophobicContact CD2-CG 4.3Å; L47-F114 HydrophobicContact CG-CD1 4.34Å; L55-F114 HydrophobicContact CD1-CB 3.76Å; L55-F114 HydrophobicContact CD1-CD1 3.69Å; L55-F114 HydrophobicContact CD1-CG 4.21Å; L55-F114 HydrophobicContact CD2-CD1 3.93Å; L55-F114 HydrophobicContact CD2-CE1 4.37Å; L55-F114 HydrophobicContact CG-CD1 4.48Å; V58-F114 HydrophobicContact CG1-CE1 4.36Å; V58-F114 HydrophobicContact CG1-CZ 4.46Å; V58-F114 HydrophobicContact CG2-CD1 3.77Å; V58-F114 HydrophobicContact CG2-CE1 3.91Å; C112-F114 HydrophobicContact CB-CE2 4.28Å; F114-S121 WeakPolarHBondContact O-CA 3.44Å; F114-K122 PolarHBondContact N-O 2.84Å; F114-K122 PolarHBondContact O-N 3.36Å
115E94Very high93.5Very high45 Ų4550.5 Ų50.521%0.2127%0.274CS..EExtended strand (participates in β ladder)trans-89.1110178.2-63.5-64.5165.900110.1R56 E57 R59 S121R56-E115 PolarHBondContact N-O 2.97Å; E57-E115 HydrophobicContact CB-CB 4.1Å; E57-E115 HydrophobicContact CB-CG 4.2Å; E57-E115 PolarHBondContact O-N 2.84Å; R59-E115 IonicContact CZ-OE1 3.66Å; R59-E115 IonicContact NE-OE1 3.83Å; R59-E115 IonicContact NH2-OE1 2.73Å; R59-E115 PolarHBondContact NH2-OE1 2.81Å; E115-S121 WeakPolarHBondContact OE2-CB 3.38Å
116L91.9Very high93.6Very high9 Ų939.2 Ų39.25%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-108.7147.8-176.3-58.5163.2000111.6L47 E53 T54 L55 G120 K122L47-L116 HydrophobicContact CD1-CD1 3.99Å; L47-L116 HydrophobicContact CD2-CD1 4.33Å; L47-L116 HydrophobicContact CD2-CD2 3.64Å; L47-L116 HydrophobicContact CD2-CG 4.46Å; E53-L116 HydrophobicContact CB-CD2 4.5Å; T54-L116 WeakPolarHBondContact O-CA 3.26Å; L55-L116 HydrophobicContact CB-CD2 4.05Å; L55-L116 HydrophobicContact CD1-CD2 3.9Å; L116-G120 WeakPolarHBondContact CB-O 3.4Å; L116-G120 PolarHBondContact N-O 2.87Å; L116-G120 WeakPolarHBondContact O-CA 3.11Å; L116-G120 PolarHBondContact O-N 2.03Å; L116-K122 HydrophobicContact CD1-CB 4.39Å; L116-K122 HydrophobicContact CD1-CD 3.58Å; L116-K122 HydrophobicContact CD1-CG 3.89Å
117S89Confident93.8Very high32 Ų3239.5 Ų39.522%0.22424%0.235CC..EExtended strand (participates in β ladder)trans-117.3128.7170.6-173.40000109.8T54 R56T54-S117 PolarHBondContact N-O 2.88Å; T54-S117 VanDerWaalsContact N-O 3.11Å; T54-S117 PolarHBondContact O-N 3.27Å; R56-S117 PolarHBondContact NH2-OG 2.87Å
118P88.4Confident93.9Very high113 Ų11337.2 Ų37.273%0.73423%0.225SC*.THydrogen-bonded Turncis-88.9-4.72.735.6-35.4000115.7G120P118-G120 VanDerWaalsContact C-N 3.27Å; P118-G120 PolarHBondContact O-N 2.86Å; P118-G120 VanDerWaalsContact O-N 3.16Å
119S86.3Confident93.9Very high65 Ų6539.3 Ų39.346%0.45523%0.234SC..THydrogen-bonded Turntrans-72.3-6.9-164.9-50.20000116.9E53E53-S119 WeakPolarHBondContact CG-OG 3.3Å; E53-S119 WeakPolarHBondContact OE1-CB 3.32Å; E53-S119 PolarHBondContact OE1-OG 2.87Å
120G89.1Confident93.8Very high29 Ų2937.3 Ų37.330%0.29922%0.221SC..EExtended strand (participates in β ladder)trans82-159.8-178.600000113.3L116 P118L116-G120 WeakPolarHBondContact CB-O 3.4Å; L116-G120 PolarHBondContact N-O 2.87Å; L116-G120 WeakPolarHBondContact O-CA 3.11Å; L116-G120 PolarHBondContact O-N 2.03Å; P118-G120 VanDerWaalsContact C-N 3.27Å; P118-G120 PolarHBondContact O-N 2.86Å; P118-G120 VanDerWaalsContact O-N 3.16Å
121S92.1Very high93.6Very high70 Ų7038.1 Ų38.149%0.4923%0.226SC..EExtended strand (participates in β ladder)trans-82.3137.8-174.663.50000112.2F114 E115F114-S121 WeakPolarHBondContact O-CA 3.44Å; E115-S121 WeakPolarHBondContact OE2-CB 3.38Å
122K93.2Very high93.4Very high36 Ų3637.8 Ų37.816%0.15722%0.224CC..EExtended strand (participates in β ladder)trans-123139.1168.6-61.5-174.5179.9-179.40108.7G25 V27 L47 D50 E53 F114 L116G25-K122 VanDerWaalsContact CA-NZ 3.31Å; G25-K122 VanDerWaalsContact O-CD 3.24Å; G25-K122 WeakPolarHBondContact O-CD 3.47Å; G25-K122 WeakPolarHBondContact O-CE 3.21Å; G25-K122 PolarHBondContact O-NZ 2.94Å; V27-K122 HydrophobicContact CG2-CB 3.72Å; L47-K122 HydrophobicContact CD1-CD 4.41Å; D50-K122 IonicContact OD2-NZ 3.27Å; D50-K122 PolarHBondContact OD2-NZ 2.94Å; E53-K122 IonicContact OE1-NZ 3.05Å; E53-K122 PolarHBondContact OE1-NZ 3.2Å; E53-K122 IonicContact OE2-NZ 3.58Å; F114-K122 PolarHBondContact N-O 2.84Å; F114-K122 PolarHBondContact O-N 3.36Å; L116-K122 HydrophobicContact CD1-CB 4.39Å; L116-K122 HydrophobicContact CD1-CD 3.58Å; L116-K122 HydrophobicContact CD1-CG 3.89Å
123Q94.7Very high93.3Very high125 Ų12545.4 Ų45.458%0.58426%0.26SS*.EExtended strand (participates in β ladder)trans-133.1151.3-174.268.5-176.351.100113.7T111 C112 I113T111-Q123 HydrophobicContact CG2-CB 4.18Å; C112-Q123 CarbonylContact O-C 3.52Å; C112-Q123 WeakPolarHBondContact O-CA 3.24Å; C112-Q123 WeakPolarHBondContact O-CB 3.39Å; I113-Q123 HydrophobicContact CG1-CB 4.09Å
124G94.3Very high93.3Very high10 Ų1045.4 Ų45.410%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-129.5159.7170.800000110.3T111 C112T111-G124 WeakPolarHBondContact CA-O 3.33Å; C112-G124 PolarHBondContact N-O 2.9Å; C112-G124 PolarHBondContact O-N 3.08Å; C112-G124 PolarHBondContact SG-O 3.02Å
125Q95.6Very high93.4Very high116 Ų11649 Ų4954%0.54228%0.283SS..EExtended strand (participates in β ladder)trans-130.8138-179.4-170177.453.400110.3C109 Y110C109-Q125 HydrophobicContact CB-CG 4.18Å; Y110-Q125 WeakPolarHBondContact O-CA 3.48Å
126T96.3Very high93.5Very high0 Ų048.8 Ų48.80%029%0.286CS..EExtended strand (participates in β ladder)trans-134.1133.1174.4177.20000109.5P30 L33 L43 W60 Y110P30-T126 WeakPolarHBondContact O-CA 3.43Å; P30-T126 WeakPolarHBondContact O-CB 3.48Å; P30-T126 PolarHBondContact O-OG1 2.84Å; L33-T126 WeakPolarHBondContact CD1-OG1 3.16Å; L43-T126 HydrophobicContact CB-CG2 4.44Å; L43-T126 HydrophobicContact CD2-CG2 4.32Å; W60-T126 HydrophobicContact CZ3-CG2 4.28Å; Y110-T126 PolarHBondContact N-O 2.82Å; Y110-T126 PolarHBondContact O-N 2.87Å
127C96.8Very high93.6Very high28 Ų2851.8 Ų51.819%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-102.7133.5176.5-54.60000111.3A31 R32 L33 G108 C109A31-C127 PolarHBondContact O-N 2.82Å; R32-C127 CarbonylContact C-O 3.6Å; R32-C127 WeakPolarHBondContact CA-O 3Å; L33-C127 PolarHBondContact N-O 3.46Å; G108-C127 CarbonylContact O-C 3.59Å; G108-C127 WeakPolarHBondContact O-CA 3.48Å; C109-C127 HydrophobicContact CB-CB 4.13Å; C109-C127 WeakPolarHBondContact CB-SG 3.44Å; C109-C127 WeakPolarHBondContact SG-CB 3.4Å; C109-C127 CovalentContact SG-SG 2.05Å; C109-C127 PolarHBondContact SG-SG 3.26Å
128L96.4Very high93.8Very high3 Ų361.2 Ų61.22%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-105129.7178.7-171.862000109.8L33 A35 F41 L43 I99 D106 E107 G108 Y110L33-L128 HydrophobicContact CB-CD1 4.03Å; L33-L128 WeakPolarHBondContact O-CA 3.15Å; A35-L128 HydrophobicContact CB-CD1 3.67Å; A35-L128 HydrophobicContact CB-CG 4.41Å; F41-L128 HydrophobicContact CD1-CD1 3.74Å; F41-L128 HydrophobicContact CE1-CD1 3.58Å; F41-L128 HydrophobicContact CZ-CD1 4.35Å; L43-L128 HydrophobicContact CD2-CD1 4.26Å; I99-L128 HydrophobicContact CD1-CD2 3.84Å; D106-L128 HydrophobicContact CB-CD2 4.46Å; E107-L128 WeakPolarHBondContact CA-O 3.31Å; G108-L128 PolarHBondContact N-O 2.88Å; G108-L128 PolarHBondContact O-N 3.43Å; Y110-L128 HydrophobicContact CD2-CB 4.15Å; Y110-L128 HydrophobicContact CE2-CB 3.75Å; Y110-L128 HydrophobicContact CE2-CD2 4.16Å
129T95.2Very high94.2Very high62 Ų6261.4 Ų61.438%0.3833%0.326SS..EExtended strand (participates in β ladder)trans-116.2144.7163.5630000109.2L33 K34 A35 E107L33-T129 PolarHBondContact O-N 2.68Å; L33-T129 PolarHBondContact O-OG1 3.07Å; K34-T129 CarbonylContact C-O 3.52Å; K34-T129 VanDerWaalsContact CA-O 3.28Å; K34-T129 WeakPolarHBondContact CA-O 3.43Å; A35-T129 PolarHBondContact N-O 3.23Å; E107-T129 WeakPolarHBondContact OE1-CA 3.33Å
130V95.1Very high94.7Very high0 Ų061.4 Ų61.40%032%0.317CS..EExtended strand (participates in β ladder)trans-105126.4-176.2-176.90000109.6A35 V37 V102 G103 E107 L156 K159A35-V130 CarbonylContact O-C 3.54Å; A35-V130 WeakPolarHBondContact O-CA 3.33Å; V37-V130 HydrophobicContact CB-CG1 3.91Å; V37-V130 HydrophobicContact CG2-CG1 4.29Å; V102-V130 HydrophobicContact CG1-CB 4.17Å; V102-V130 HydrophobicContact CG1-CG1 3.75Å; V102-V130 HydrophobicContact CG1-CG2 3.29Å; G103-V130 WeakPolarHBondContact O-CG2 3.35Å; E107-V130 HydrophobicContact CG-CB 3.99Å; E107-V130 HydrophobicContact CG-CG2 3.67Å; E107-V130 PolarHBondContact OE1-N 3.28Å; V130-L156 HydrophobicContact CB-CD1 4.49Å; V130-L156 HydrophobicContact CG1-CD1 4.08Å; V130-L156 HydrophobicContact CG1-CD2 3.94Å; V130-L156 VanDerWaalsContact O-CD1 3.27Å; V130-L156 WeakPolarHBondContact O-CD1 3.22Å; V130-K159 PolarHBondContact O-NZ 3.27Å
131D93Very high95.1Very high29 Ų2963.5 Ų63.516%0.15532%0.324CS..EExtended strand (participates in β ladder)trans-108.4153.8178.8-159.513.6000111.2K34 A35 P36 V37 K232K34-D131 HydrophobicContact CD-CB 3.78Å; K34-D131 VanDerWaalsContact CE-CB 3.47Å; K34-D131 VanDerWaalsContact CE-OD2 3.23Å; K34-D131 WeakPolarHBondContact CE-OD2 3.35Å; K34-D131 HydrophobicContact CG-CB 3.86Å; K34-D131 IonicContact NZ-OD1 2.65Å; K34-D131 PolarHBondContact NZ-OD1 2.86Å; K34-D131 IonicContact NZ-OD2 2.71Å; K34-D131 PolarHBondContact NZ-OD2 3.32Å; A35-D131 PolarHBondContact O-N 3.03Å; P36-D131 WeakPolarHBondContact CA-O 3.48Å; V37-D131 PolarHBondContact N-O 3.19Å; D131-K232 IonicContact OD1-NZ 2.69Å; D131-K232 PolarHBondContact OD1-NZ 3.45Å; D131-K232 IonicContact OD2-NZ 3.48Å
132A93.9Very high95.3Very high6 Ų660.6 Ų60.65%0.0531%0.305CS..  trans-136.6154.4168.100000110.3V37 F154 L156 K232V37-A132 HydrophobicContact CB-CB 4.45Å; V37-A132 HydrophobicContact CG1-CB 3.67Å; A132-F154 HydrophobicContact CB-CD2 3.96Å; A132-F154 HydrophobicContact CB-CE2 3.55Å; A132-F154 HydrophobicContact CB-CZ 3.96Å; A132-F154 WeakPolarHBondContact O-CE2 3.47Å; A132-L156 HydrophobicContact CB-CB 4.43Å; A132-L156 HydrophobicContact CB-CD1 3.7Å; A132-L156 HydrophobicContact CB-CG 3.85Å; A132-K232 PolarHBondContact O-NZ 3.49Å; A132-K232 VanDerWaalsContact O-NZ 3.08Å
133E93.6Very high95.5Very high160 Ų16060.8 Ų60.875%0.74831%0.309SS*.  trans-101.5148.4168.2-65.3-174.9169.700108.9
134V96.1Very high95.5Very high15 Ų1557 Ų579%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-81.7129.3171.3-179.40000107.1C152 S153 F154 Y224 K232V134-C152 HydrophobicContact CG1-CB 4.2Å; V134-S153 WeakPolarHBondContact CA-O 3.46Å; V134-F154 HydrophobicContact CG2-CB 4.35Å; V134-F154 HydrophobicContact CG2-CD2 3.58Å; V134-F154 HydrophobicContact CG2-CE2 4.23Å; V134-F154 HydrophobicContact CG2-CG 4.26Å; V134-Y224 HydrophobicContact CB-CD2 4.39Å; V134-Y224 HydrophobicContact CG1-CD2 3.75Å; V134-Y224 HydrophobicContact CG1-CE2 3.66Å; V134-Y224 HydrophobicContact CG2-CD2 3.62Å; V134-Y224 HydrophobicContact CG2-CE2 4.27Å; V134-Y224 HydrophobicContact CG2-CG 4.04Å; V134-K232 HydrophobicContact CG2-CB 3.52Å
135T96.3Very high95.6Very high77 Ų7758.8 Ų58.847%0.47232%0.315SS..EExtended strand (participates in β ladder)trans-112.2142175.664.50000109.6C152 S153T135-C152 CarbonylContact O-C 3.59Å; T135-C152 WeakPolarHBondContact O-CA 3.45Å; T135-S153 PolarHBondContact N-O 3.44Å; T135-S153 PolarHBondContact O-N 3.2Å; T135-S153 PolarHBondContact OG1-OG 3.49Å
136S95.7Very high95.6Very high40 Ų4059.7 Ų59.728%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-121.116117652.70000111.5S151 S234 V235S136-S151 WeakPolarHBondContact CA-O 3.42Å; S136-S234 WeakPolarHBondContact CB-OG 3.34Å; S136-S234 PolarHBondContact OG-OG 2.8Å; S136-V235 PolarHBondContact OG-O 3.01Å
137E93.6Very high95.7Very high72 Ų7265.6 Ų65.634%0.33634%0.343SS..PPolyproline II helixtrans-59.4156.3165-75.2179.5-156.300111.1K140 S151 V236E137-K140 IonicContact OE2-NZ 2.78Å; E137-K140 PolarHBondContact OE2-NZ 3.18Å; E137-S151 PolarHBondContact N-O 2.98Å; E137-S151 WeakPolarHBondContact OE1-CB 3.04Å; E137-S151 PolarHBondContact OE1-OG 3.08Å; E137-V236 WeakPolarHBondContact O-CG2 3.26Å
138R95.1Very high95.7Very high230 Ų23064.5 Ų64.587%0.86834%0.336SS*.PPolyproline II helixtrans-63.6162.5170.5-57.8-173.8-148.4-1263.2110.2K140R138-K140 PolarHBondContact O-N 3.19Å
139N96.6Very high95.8Very high117 Ų11765.2 Ų65.263%0.62634%0.341SS*.PPolyproline II helixtrans-48.4134.3173-67-11.5000111.3C237N139-C237 CarbonylContact C-O 3.56Å; N139-C237 VanDerWaalsContact CA-O 3.29Å; N139-C237 WeakPolarHBondContact CA-O 3.39Å; N139-C237 PolarHBondContact OD1-N 3.1Å; N139-C237 VanDerWaalsContact OD1-N 3.1Å
140K95.9Very high95.9Very high64 Ų6462.3 Ų62.328%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-114.6142.2-169.9-158.8166.6-158145.90109.9E137 R138 S149 L150 C237 L238 S239E137-K140 IonicContact OE2-NZ 2.78Å; E137-K140 PolarHBondContact OE2-NZ 3.18Å; R138-K140 PolarHBondContact O-N 3.19Å; K140-S149 VanDerWaalsContact CD-O 3.3Å; K140-S149 WeakPolarHBondContact CD-O 3.43Å; K140-S149 WeakPolarHBondContact CE-O 3.3Å; K140-S149 PolarHBondContact NZ-O 2.97Å; K140-L150 HydrophobicContact CB-CD2 4.1Å; K140-L150 HydrophobicContact CD-CD2 4.03Å; K140-C237 PolarHBondContact N-O 3.38Å; K140-L238 HydrophobicContact CB-CD1 4.31Å; K140-L238 CarbonylContact O-C 3.53Å; K140-L238 WeakPolarHBondContact O-CA 3.44Å; K140-S239 PolarHBondContact O-N 3.21Å
141T97Very high96Very high73 Ų7363.2 Ų63.245%0.44833%0.33SS..EExtended strand (participates in β ladder)trans-113.4127.5169.3-550000108.8S239 Y241T141-S239 CarbonylContact C-O 3.59Å; T141-S239 VanDerWaalsContact CA-O 3.27Å; T141-S239 WeakPolarHBondContact CA-O 3.36Å; T141-Y241 HydrophobicContact CG2-CD1 3.56Å; T141-Y241 HydrophobicContact CG2-CD2 3.68Å; T141-Y241 HydrophobicContact CG2-CE1 3.51Å; T141-Y241 HydrophobicContact CG2-CE2 3.67Å; T141-Y241 HydrophobicContact CG2-CG 3.65Å
142A96.9Very high96.2Very high10 Ų1062 Ų628%0.08332%0.324CS..EExtended strand (participates in β ladder)trans-119.4153.2-179.600000111.1A148 V212 L238 S239 T240 Y241A142-A148 HydrophobicContact CB-CB 3.7Å; A142-V212 HydrophobicContact CB-CG1 4.14Å; A142-V212 HydrophobicContact CB-CG2 4.23Å; A142-L238 HydrophobicContact CB-CD1 3.77Å; A142-S239 PolarHBondContact N-O 3.03Å; A142-T240 CarbonylContact O-C 3.53Å; A142-T240 WeakPolarHBondContact O-CA 3.47Å; A142-Y241 PolarHBondContact O-N 3.39Å
143V96.5Very high96.4Very high39 Ų3963.5 Ų63.524%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-89.5131.3174.1174.80000109.5G145 K146 Y241 L243V143-G145 PolarHBondContact O-N 3.47Å; V143-K146 HydrophobicContact CB-CB 4.36Å; V143-K146 HydrophobicContact CB-CG 3.89Å; V143-K146 HydrophobicContact CG1-CG 3.92Å; V143-K146 VanDerWaalsContact O-CB 3.3Å; V143-K146 WeakPolarHBondContact O-CB 3.34Å; V143-K146 PolarHBondContact O-N 3.44Å; V143-Y241 CarbonylContact C-O 3.54Å; V143-Y241 WeakPolarHBondContact CA-O 3.28Å; V143-L243 HydrophobicContact CG1-CD1 3.78Å; V143-L243 HydrophobicContact CG1-CD2 4.45Å; V143-L243 HydrophobicContact CG1-CG 3.69Å; V143-L243 HydrophobicContact CG2-CD1 4.42Å; V143-L243 HydrophobicContact CG2-CD2 4.27Å; V143-L243 HydrophobicContact CG2-CG 4.35Å
144S96.5Very high96.5Very high46 Ų4656 Ų5632%0.32230%0.298SS..THydrogen-bonded Turntrans-56.2136.6175.8-176.80000111.1K146 V212 Y241S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 2.86Å; S144-V212 CarbonylContact C-O 3.49Å; S144-V212 WeakPolarHBondContact CA-O 3.5Å; S144-V212 PolarHBondContact OG-O 2.93Å; S144-Y241 PolarHBondContact N-O 2.75Å
145G95.6Very high96.4Very high48 Ų4857 Ų5750%0.49531%0.312SS..THydrogen-bonded Turntrans82.6-7.1-174.400000114.7V143 V212V143-G145 PolarHBondContact O-N 3.47Å; G145-V212 PolarHBondContact N-O 2.95Å
146K96.2Very high96.4Very high134 Ų13453.4 Ų53.458%0.58329%0.29SS*.SBendtrans-100177.6176.9-56.6-61.8-175.2177.60111.5V143 S144 V212V143-K146 HydrophobicContact CB-CB 4.36Å; V143-K146 HydrophobicContact CB-CG 3.89Å; V143-K146 HydrophobicContact CG1-CG 3.92Å; V143-K146 VanDerWaalsContact O-CB 3.3Å; V143-K146 WeakPolarHBondContact O-CB 3.34Å; V143-K146 PolarHBondContact O-N 3.44Å; S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 2.86Å; K146-V212 WeakPolarHBondContact O-CG2 3.27Å; K146-V212 PolarHBondContact O-N 3.27Å
147K97.3Very high96.3Very high124 Ų12453.3 Ų53.354%0.53929%0.288SS..  trans-85.3138.8174.4-177.6-177.8179.2179.50110.1T208 I209 Q210K147-T208 HydrophobicContact CD-CG2 4.28Å; K147-T208 HydrophobicContact CG-CG2 4.07Å; K147-I209 WeakPolarHBondContact CA-O 3.17Å; K147-Q210 HydrophobicContact CB-CB 4.19Å; K147-Q210 HydrophobicContact CB-CG 4.1Å; K147-Q210 HydrophobicContact CG-CB 4.25Å
148A97.4Very high96.4Very high6 Ų654.2 Ų54.25%0.0529%0.292CS..EExtended strand (participates in β ladder)trans-130.1149.7164.300000110.3A142 T208 I209 V212 L238A142-A148 HydrophobicContact CB-CB 3.7Å; A148-T208 CarbonylContact O-C 3.59Å; A148-T208 WeakPolarHBondContact O-CA 3.37Å; A148-I209 PolarHBondContact N-O 3.48Å; A148-I209 PolarHBondContact O-N 2.86Å; A148-V212 HydrophobicContact CB-CG2 3.56Å; A148-L238 HydrophobicContact CB-CD1 4.48Å
149S97.3Very high96.3Very high18 Ų1843.9 Ų43.913%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-130.1132.7174.2-61.40000108.8K140 L207 T208K140-S149 VanDerWaalsContact CD-O 3.3Å; K140-S149 WeakPolarHBondContact CD-O 3.43Å; K140-S149 WeakPolarHBondContact CE-O 3.3Å; K140-S149 PolarHBondContact NZ-O 2.97Å; S149-L207 CarbonylContact C-O 3.52Å; S149-L207 VanDerWaalsContact CA-O 3.32Å; S149-L207 WeakPolarHBondContact CA-O 3.49Å; S149-T208 PolarHBondContact OG-OG1 2.9Å
150L98.1Very high96.3Very high0 Ų038.3 Ų38.30%022%0.224CC..EExtended strand (participates in β ladder)trans-112.1138.3176.6-56.9177.2000107.6K140 W165 Q206 L207 Y220 V236 L238K140-L150 HydrophobicContact CB-CD2 4.1Å; K140-L150 HydrophobicContact CD-CD2 4.03Å; L150-W165 HydrophobicContact CB-CH2 4.09Å; L150-W165 HydrophobicContact CB-CZ3 4.21Å; L150-Q206 CarbonylContact O-C 3.56Å; L150-Q206 WeakPolarHBondContact O-CA 3.4Å; L150-L207 HydrophobicContact CB-CB 4.49Å; L150-L207 PolarHBondContact N-O 3.4Å; L150-L207 PolarHBondContact O-N 3.01Å; L150-Y220 HydrophobicContact CD1-CD1 4.1Å; L150-Y220 HydrophobicContact CD1-CD2 3.36Å; L150-Y220 HydrophobicContact CD1-CE2 3.89Å; L150-Y220 HydrophobicContact CD1-CG 3.47Å; L150-Y220 VanDerWaalsContact CD1-CG 3.47Å; L150-V236 HydrophobicContact CB-CG1 3.94Å; L150-V236 HydrophobicContact CD1-CG1 4.24Å; L150-V236 HydrophobicContact CD2-CG1 4.31Å; L150-V236 HydrophobicContact CD2-CG2 4.04Å; L150-V236 HydrophobicContact CG-CG1 4.39Å; L150-L238 HydrophobicContact CD2-CD1 4.46Å
151S97.3Very high96.3Very high20 Ų2039.1 Ų39.114%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-131.6142.4-173.7-41.30000112.3S136 E137 S205S136-S151 WeakPolarHBondContact CA-O 3.42Å; E137-S151 PolarHBondContact N-O 2.98Å; E137-S151 WeakPolarHBondContact OE1-CB 3.04Å; E137-S151 PolarHBondContact OE1-OG 3.08Å; S151-S205 CarbonylContact C-O 3.51Å; S151-S205 VanDerWaalsContact CA-O 3.3Å; S151-S205 WeakPolarHBondContact CA-O 3.29Å
152C97.4Very high96.3Very high4 Ų438.2 Ų38.23%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-129.3152166.9-67.20000110.4V134 T135 W165 D204 S205 C222 Y224V134-C152 HydrophobicContact CG1-CB 4.2Å; T135-C152 CarbonylContact O-C 3.59Å; T135-C152 WeakPolarHBondContact O-CA 3.45Å; C152-W165 HydrophobicContact CB-CH2 4.45Å; C152-W165 HydrophobicContact CB-CZ2 4.23Å; C152-W165 VanDerWaalsContact SG-CH2 3.6Å; C152-D204 CarbonylContact O-C 3.55Å; C152-S205 PolarHBondContact N-O 3.16Å; C152-S205 PolarHBondContact O-N 3.07Å; C152-C222 HydrophobicContact CB-CB 3.69Å; C152-C222 WeakPolarHBondContact CB-SG 3.48Å; C152-C222 WeakPolarHBondContact SG-CB 3.44Å; C152-C222 CovalentContact SG-SG 2.02Å; C152-C222 PolarHBondContact SG-SG 3.29Å; C152-Y224 HydrophobicContact CB-CE2 4.03Å; C152-Y224 PolarHBondContact O-OH 3.18Å
153S97.1Very high96.3Very high36 Ų3637.7 Ų37.725%0.25222%0.215SC..EExtended strand (participates in β ladder)trans-134.2147.1174.972.70000112.1V134 T135 S203 D204V134-S153 WeakPolarHBondContact CA-O 3.46Å; T135-S153 PolarHBondContact N-O 3.44Å; T135-S153 PolarHBondContact O-N 3.2Å; T135-S153 PolarHBondContact OG1-OG 3.49Å; S153-S203 CarbonylContact C-O 3.51Å; S153-S203 VanDerWaalsContact CA-O 3.23Å; S153-S203 WeakPolarHBondContact CA-O 3.32Å; S153-D204 WeakPolarHBondContact CB-OD1 3.39Å
154F96.1Very high96.4Very high3 Ų336.5 Ų36.51%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-137.3125.1175.9-174.6-114.1000110A132 V134 L156 V160 S203 Y224 T226 K232A132-F154 HydrophobicContact CB-CD2 3.96Å; A132-F154 HydrophobicContact CB-CE2 3.55Å; A132-F154 HydrophobicContact CB-CZ 3.96Å; A132-F154 WeakPolarHBondContact O-CE2 3.47Å; V134-F154 HydrophobicContact CG2-CB 4.35Å; V134-F154 HydrophobicContact CG2-CD2 3.58Å; V134-F154 HydrophobicContact CG2-CE2 4.23Å; V134-F154 HydrophobicContact CG2-CG 4.26Å; F154-L156 HydrophobicContact CD1-CB 4.27Å; F154-L156 HydrophobicContact CE1-CB 3.7Å; F154-L156 WeakPolarHBondContact CE1-O 3.36Å; F154-L156 HydrophobicContact CZ-CB 4.18Å; F154-L156 PolarHBondContact O-N 2.92Å; F154-V160 HydrophobicContact CD1-CG2 3.44Å; F154-V160 VanDerWaalsContact CD1-CG2 3.44Å; F154-V160 HydrophobicContact CE1-CG2 3.75Å; F154-S203 PolarHBondContact N-O 3.11Å; F154-Y224 HydrophobicContact CB-CD1 3.52Å; F154-Y224 HydrophobicContact CB-CD2 4.39Å; F154-Y224 HydrophobicContact CB-CE1 3.36Å; F154-Y224 HydrophobicContact CB-CE2 4.28Å; F154-Y224 HydrophobicContact CB-CG 4.03Å; F154-Y224 HydrophobicContact CD1-CD1 4.05Å; F154-Y224 AromaticContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CE1 4.27Å; F154-Y224 HydrophobicContact CG-CG 4.29Å; F154-T226 HydrophobicContact CE1-CG2 4.23Å; F154-T226 HydrophobicContact CZ-CG2 4.23Å; F154-K232 HydrophobicContact CE2-CB 4.4Å; F154-K232 HydrophobicContact CE2-CG 4.15Å; F154-K232 HydrophobicContact CZ-CG 4.48Å
155G94.8Very high96.5Very high37 Ų3734.3 Ų34.338%0.38119%0.192SC..SBendtrans-77.13.9-170.400000116.2
156L95.2Very high96.7Very high1 Ų134.5 Ų34.51%0.00518%0.179CC..  trans-131.861.9-179.5-64.2169.6000111.1V37 F104 V130 A132 F154 E158 K159V37-L156 HydrophobicContact CB-CD2 4.21Å; V37-L156 HydrophobicContact CB-CG 4.3Å; V37-L156 HydrophobicContact CG2-CD2 3.78Å; V37-L156 HydrophobicContact CG2-CG 4.26Å; F104-L156 HydrophobicContact CB-CD2 3.98Å; V130-L156 HydrophobicContact CB-CD1 4.49Å; V130-L156 HydrophobicContact CG1-CD1 4.08Å; V130-L156 HydrophobicContact CG1-CD2 3.94Å; V130-L156 VanDerWaalsContact O-CD1 3.27Å; V130-L156 WeakPolarHBondContact O-CD1 3.22Å; A132-L156 HydrophobicContact CB-CB 4.43Å; A132-L156 HydrophobicContact CB-CD1 3.7Å; A132-L156 HydrophobicContact CB-CG 3.85Å; F154-L156 HydrophobicContact CD1-CB 4.27Å; F154-L156 HydrophobicContact CE1-CB 3.7Å; F154-L156 WeakPolarHBondContact CE1-O 3.36Å; F154-L156 HydrophobicContact CZ-CB 4.18Å; F154-L156 PolarHBondContact O-N 2.92Å; L156-E158 PolarHBondContact O-N 2.92Å; L156-E158 VanDerWaalsContact O-N 3.1Å; L156-K159 HydrophobicContact CB-CD 4.23Å; L156-K159 HydrophobicContact CB-CG 4.33Å; L156-K159 HydrophobicContact CD1-CD 4.07Å; L156-K159 PolarHBondContact O-N 2.96Å
157P94.7Very high96.7Very high37 Ų3728.6 Ų28.624%0.2415%0.154CC..G310 helixtrans-58.5-25.2-176.826-36000113.3K159 V160 L202P157-K159 PolarHBondContact O-N 2.84Å; P157-V160 PolarHBondContact O-N 2.8Å; P157-L202 HydrophobicContact CB-CB 4.04Å
158E94.6Very high96.8Very high92 Ų9225 Ų2543%0.4314%0.142SC..G310 helixtrans-60.5-33.4177.6-62.284.3174.500112.3F104 L156 K182F104-E158 HydrophobicContact CD1-CB 3.73Å; F104-E158 HydrophobicContact CD1-CG 3.66Å; F104-E158 HydrophobicContact CD2-CB 4.02Å; F104-E158 HydrophobicContact CE1-CB 3.76Å; F104-E158 HydrophobicContact CE1-CG 4Å; F104-E158 HydrophobicContact CE2-CB 4.04Å; F104-E158 HydrophobicContact CG-CB 3.87Å; F104-E158 HydrophobicContact CG-CG 4.03Å; F104-E158 HydrophobicContact CZ-CB 3.91Å; L156-E158 PolarHBondContact O-N 2.92Å; L156-E158 VanDerWaalsContact O-N 3.1Å; E158-K182 PolarHBondContact O-NZ 2.86Å
159K94.1Very high96.7Very high13 Ų1326.5 Ų26.56%0.05715%0.151CC..G310 helixtrans-81.7-16.7-179.3-65.5-171171.4-173.40113.8F104 E107 V130 L156 P157 T226 H227 E229F104-K159 HydrophobicContact CD2-CG 3.99Å; F104-K159 HydrophobicContact CE2-CG 3.84Å; E107-K159 WeakPolarHBondContact OE1-CE 3.43Å; E107-K159 IonicContact OE1-NZ 3.93Å; E107-K159 PolarHBondContact OE1-NZ 3.1Å; E107-K159 WeakPolarHBondContact OE2-CE 3.34Å; E107-K159 IonicContact OE2-NZ 3.03Å; E107-K159 PolarHBondContact OE2-NZ 3.05Å; V130-K159 PolarHBondContact O-NZ 3.27Å; L156-K159 HydrophobicContact CB-CD 4.23Å; L156-K159 HydrophobicContact CB-CG 4.33Å; L156-K159 HydrophobicContact CD1-CD 4.07Å; L156-K159 PolarHBondContact O-N 2.96Å; P157-K159 PolarHBondContact O-N 2.84Å; K159-T226 VanDerWaalsContact O-CA 3.31Å; K159-T226 WeakPolarHBondContact O-CA 3.25Å; K159-H227 PolarHBondContact O-N 2.9Å; K159-E229 IonicContact NZ-OE1 3.24Å; K159-E229 PolarHBondContact NZ-OE1 3.01Å
160V96.3Very high96.3Very high0 Ų030.1 Ų30.10%018%0.182CC..EExtended strand (participates in β ladder)trans-80.5132.7-174.8-171.90000110.1F154 P157 I163 L202 Y224F154-V160 HydrophobicContact CD1-CG2 3.44Å; F154-V160 VanDerWaalsContact CD1-CG2 3.44Å; F154-V160 HydrophobicContact CE1-CG2 3.75Å; P157-V160 PolarHBondContact O-N 2.8Å; V160-I163 HydrophobicContact CG1-CG1 4.01Å; V160-L202 HydrophobicContact CB-CB 4.35Å; V160-L202 HydrophobicContact CB-CD2 4.35Å; V160-L202 HydrophobicContact CG1-CD2 3.87Å; V160-Y224 HydrophobicContact CG1-CD1 3.89Å; V160-Y224 HydrophobicContact CG2-CD1 3.76Å
161Q95.9Very high95.6Very high80 Ų8038.9 Ų38.937%0.37422%0.224SC..EExtended strand (participates in β ladder)trans-102.1-38.6172.9-62.4-57.2-39.500111.6K182 E225 H227Q161-K182 WeakPolarHBondContact O-CB 3.46Å; Q161-K182 PolarHBondContact O-N 3.09Å; Q161-E225 PolarHBondContact N-O 2.89Å; Q161-H227 HydrophobicContact CG-CB 4.15Å
162Q96.8Very high95.2Very high54 Ų5440.8 Ų40.825%0.25225%0.246SC..EExtended strand (participates in β ladder)trans-149.5147-178.7-178.9172.6-72.600110.7F180 A181 E225Q162-F180 CarbonylContact C-O 3.54Å; Q162-F180 WeakPolarHBondContact CA-O 3.16Å; Q162-A181 HydrophobicContact CG-CB 4.43Å; Q162-E225 HydrophobicContact CB-CB 4.28Å; Q162-E225 PolarHBondContact NE2-OE1 2.84Å; Q162-E225 PolarHBondContact O-N 3.42Å
163I98Very high94.9Very high0 Ų048.7 Ų48.70%028%0.283CS..EExtended strand (participates in β ladder)trans-111.1134164.6-60.9162.2000108.4V160 S179 F180 S201 L202 F223 Y224V160-I163 HydrophobicContact CG1-CG1 4.01Å; I163-S179 CarbonylContact O-C 3.58Å; I163-S179 WeakPolarHBondContact O-CA 3.32Å; I163-F180 PolarHBondContact N-O 2.78Å; I163-F180 PolarHBondContact O-N 2.99Å; I163-S201 WeakPolarHBondContact CD1-O 3.42Å; I163-L202 HydrophobicContact CD1-CD2 4.1Å; I163-L202 HydrophobicContact CG1-CD2 4.33Å; I163-F223 CarbonylContact C-O 3.56Å; I163-F223 VanDerWaalsContact CA-O 3.24Å; I163-F223 WeakPolarHBondContact CA-O 3.31Å; I163-Y224 HydrophobicContact CD1-CD1 4.11Å; I163-Y224 HydrophobicContact CD1-CE1 3.57Å; I163-Y224 HydrophobicContact CG1-CD1 3.74Å; I163-Y224 HydrophobicContact CG1-CE1 3.71Å; I163-Y224 HydrophobicContact CG1-CG 4.26Å
164L98.1Very high94.9Very high13 Ų1349.7 Ų49.77%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-126.8128.2177.6175.364.9000110K166 E176 C222 F223L164-K166 HydrophobicContact CD2-CG 4.41Å; L164-K166 HydrophobicContact CG-CG 4.27Å; L164-E176 HydrophobicContact CD1-CB 4.32Å; L164-E176 HydrophobicContact CD1-CG 4.03Å; L164-C222 CarbonylContact O-C 3.58Å; L164-F223 HydrophobicContact CB-CB 4.27Å; L164-F223 PolarHBondContact N-O 3.35Å; L164-F223 PolarHBondContact O-N 3.16Å
165W98.6Very high94.9Very high0 Ų052.8 Ų52.80%031%0.309CS..EExtended strand (participates in β ladder)trans-101.1127.5172.1-78.485.3000110L150 C152 V177 A178 L198 S205 L207 T221 C222 V236L150-W165 HydrophobicContact CB-CH2 4.09Å; L150-W165 HydrophobicContact CB-CZ3 4.21Å; C152-W165 HydrophobicContact CB-CH2 4.45Å; C152-W165 HydrophobicContact CB-CZ2 4.23Å; C152-W165 VanDerWaalsContact SG-CH2 3.6Å; W165-V177 HydrophobicContact CB-CB 4.34Å; W165-V177 PolarHBondContact O-N 3.4Å; W165-A178 PolarHBondContact N-O 2.91Å; W165-L198 VanDerWaalsContact CD1-CD1 3.47Å; W165-S205 PolarHBondContact NE1-OG 2.63Å; W165-L207 HydrophobicContact CB-CD1 4.42Å; W165-L207 HydrophobicContact CB-CD2 4.31Å; W165-L207 HydrophobicContact CD2-CB 3.93Å; W165-L207 HydrophobicContact CD2-CD2 3.98Å; W165-L207 HydrophobicContact CD2-CG 4.4Å; W165-L207 HydrophobicContact CE3-CB 4.2Å; W165-L207 HydrophobicContact CE3-CD2 3.8Å; W165-L207 HydrophobicContact CG-CB 4.4Å; W165-L207 HydrophobicContact CG-CD1 4.27Å; W165-L207 HydrophobicContact CG-CD2 4.23Å; W165-L207 HydrophobicContact CH2-CB 4.35Å; W165-L207 HydrophobicContact CZ2-CB 4.1Å; W165-L207 HydrophobicContact CZ3-CB 4.4Å; W165-L207 HydrophobicContact CZ3-CD2 4.41Å; W165-T221 WeakPolarHBondContact CA-O 3.47Å; W165-C222 HydrophobicContact CD2-CB 4.01Å; W165-C222 HydrophobicContact CE3-CB 4.15Å; W165-C222 HydrophobicContact CH2-CB 3.93Å; W165-C222 HydrophobicContact CZ2-CB 3.75Å; W165-C222 HydrophobicContact CZ3-CB 4.11Å; W165-V236 HydrophobicContact CH2-CG1 4.24Å; W165-V236 HydrophobicContact CZ3-CG1 3.98Å
166K98.5Very high95.1Very high52 Ų5255 Ų5523%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-115.8143170.2-57.9-160.9177.3-148.30111.2L164 S174 T175 E176 Y220 T221 F223L164-K166 HydrophobicContact CD2-CG 4.41Å; L164-K166 HydrophobicContact CG-CG 4.27Å; K166-S174 WeakPolarHBondContact CB-OG 3.41Å; K166-T175 CarbonylContact C-O 3.22Å; K166-T175 WeakPolarHBondContact CA-O 3.32Å; K166-T175 WeakPolarHBondContact CB-O 3.43Å; K166-E176 HydrophobicContact CD-CG 4.23Å; K166-E176 WeakPolarHBondContact CE-OE1 3.34Å; K166-E176 HydrophobicContact CG-CG 4.18Å; K166-E176 IonicContact NZ-OE1 3.62Å; K166-E176 PolarHBondContact NZ-OE1 3.25Å; K166-Y220 CarbonylContact O-C 3.47Å; K166-Y220 VanDerWaalsContact O-CA 3.25Å; K166-Y220 WeakPolarHBondContact O-CA 3.03Å; K166-T221 PolarHBondContact N-O 2.84Å; K166-T221 PolarHBondContact O-N 2.96Å; K166-F223 HydrophobicContact CB-CE2 4.04Å; K166-F223 HydrophobicContact CD-CD2 4.47Å; K166-F223 HydrophobicContact CD-CE2 3.88Å; K166-F223 HydrophobicContact CG-CD2 4.1Å; K166-F223 HydrophobicContact CG-CE2 3.76Å
167H98.2Very high95.2Very high10 Ų1055 Ų555%0.04631%0.309CS..EExtended strand (participates in β ladder)trans-103.2133.9171.3174.7-131.8000108.9S174 T175 V177 Y192 Q215 D216 E217 Y220H167-S174 CarbonylContact O-C 3.58Å; H167-S174 VanDerWaalsContact O-CA 3.25Å; H167-S174 WeakPolarHBondContact O-CA 3.19Å; H167-S174 PolarHBondContact O-OG 2.87Å; H167-T175 PolarHBondContact N-O 3.05Å; H167-T175 PolarHBondContact O-N 3.3Å; H167-V177 HydrophobicContact CB-CG2 3.46Å; H167-V177 VanDerWaalsContact CB-CG2 3.46Å; H167-Y192 PolarHBondContact ND1-OH 3.35Å; H167-Q215 PolarHBondContact CE1-O 3.04Å; H167-D216 PolarHBondContact NE2-O 2.63Å; H167-E217 PolarHBondContact NE2-O 2.02Å; H167-Y220 HydrophobicContact CB-CD1 4.02Å; H167-Y220 HydrophobicContact CB-CE1 3.74Å; H167-Y220 AromaticContact CD2-CE1 3.72Å; H167-Y220 AromaticContact CD2-CE2 3.54Å; H167-Y220 AromaticContact CD2-CZ 3.36Å; H167-Y220 AromaticContact CG-CE1 3.9Å; H167-Y220 AromaticContact CG-CZ 3.92Å; H167-Y220 AromaticContact NE2-CZ 3.95Å
168T97.8Very high95.4Very high48 Ų4853.3 Ų53.329%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-123.7103.8174.5-48.80000107.5S174 G218 C219T168-S174 PolarHBondContact OG1-OG 2.77Å; T168-G218 CarbonylContact O-C 3.54Å; T168-G218 WeakPolarHBondContact O-CA 3.4Å; T168-C219 PolarHBondContact N-O 3.13Å; T168-C219 PolarHBondContact O-N 3.05Å
169P95Very high95.6Very high38 Ų3849.9 Ų49.925%0.24729%0.285CS..  trans-65.6163.4175.329.2-34.1000110.3Q171 E173P169-Q171 PolarHBondContact O-N 2.84Å; P169-Q171 VanDerWaalsContact O-N 3.15Å; P169-E173 WeakPolarHBondContact CD-O 3.27Å
170A89.1Confident95.8Very high94 Ų9450 Ų5078%0.77729%0.285SS*.SBendtrans-59-28.9178.800000113.2
171Q85Confident95.8Very high185 Ų18551.3 Ų51.386%0.86430%0.296SS*.SBendtrans-137.2107.4177.1-64.4167.214.400107.3P169P169-Q171 PolarHBondContact O-N 2.84Å; P169-Q171 VanDerWaalsContact O-N 3.15Å
172G87.3Confident95.7Very high59 Ų5951.2 Ų51.261%0.60829%0.294SS*.SBendtrans146.7-178.1179.500000112.7
173E92.1Very high95.5Very high171 Ų17160.1 Ų60.180%0.79933%0.326SS*.  trans-89.7157.5179.2-64.6-171.3165.900111.6P169P169-E173 WeakPolarHBondContact CD-O 3.27Å
174S96.3Very high95.4Very high57 Ų5762.6 Ų62.640%0.39934%0.343SS..  trans-76.4126.9176.3-168.60000110.7K166 H167 T168K166-S174 WeakPolarHBondContact CB-OG 3.41Å; H167-S174 CarbonylContact O-C 3.58Å; H167-S174 VanDerWaalsContact O-CA 3.25Å; H167-S174 WeakPolarHBondContact O-CA 3.19Å; H167-S174 PolarHBondContact O-OG 2.87Å; T168-S174 PolarHBondContact OG1-OG 2.77Å
175T97.1Very high95.3Very high68 Ų6868.6 Ų68.642%0.41738%0.375SS..EExtended strand (participates in β ladder)trans-114.7154.3177.555.30000111.3K166 H167K166-T175 CarbonylContact C-O 3.22Å; K166-T175 WeakPolarHBondContact CA-O 3.32Å; K166-T175 WeakPolarHBondContact CB-O 3.43Å; H167-T175 PolarHBondContact N-O 3.05Å; H167-T175 PolarHBondContact O-N 3.3Å
176E98.1Very high95.2Very high84 Ų8470.7 Ų70.739%0.39339%0.389SS..EExtended strand (participates in β ladder)trans-76.5145174-65.4-177.1-179.400110.1L164 K166 E189 Y192L164-E176 HydrophobicContact CD1-CB 4.32Å; L164-E176 HydrophobicContact CD1-CG 4.03Å; K166-E176 HydrophobicContact CD-CG 4.23Å; K166-E176 WeakPolarHBondContact CE-OE1 3.34Å; K166-E176 HydrophobicContact CG-CG 4.18Å; K166-E176 IonicContact NZ-OE1 3.62Å; K166-E176 PolarHBondContact NZ-OE1 3.25Å; E176-E189 HydrophobicContact CB-CG 4.01Å; E176-E189 WeakPolarHBondContact O-CG 3.38Å; E176-Y192 WeakPolarHBondContact O-CE2 3.29Å
177V98.2Very high95.2Very high1 Ų174 Ų741%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-117.3-51.2-177.3-177.70000110.3W165 H167 E189 Y192 V196 L207 Y220W165-V177 HydrophobicContact CB-CB 4.34Å; W165-V177 PolarHBondContact O-N 3.4Å; H167-V177 HydrophobicContact CB-CG2 3.46Å; H167-V177 VanDerWaalsContact CB-CG2 3.46Å; V177-E189 WeakPolarHBondContact O-CB 3.37Å; V177-E189 PolarHBondContact O-N 2.77Å; V177-Y192 HydrophobicContact CB-CD2 4.39Å; V177-Y192 HydrophobicContact CB-CE2 4.24Å; V177-Y192 HydrophobicContact CG1-CD1 4.03Å; V177-Y192 HydrophobicContact CG1-CD2 4.04Å; V177-Y192 HydrophobicContact CG1-CE1 4.22Å; V177-Y192 HydrophobicContact CG1-CE2 4.22Å; V177-Y192 HydrophobicContact CG1-CG 3.93Å; V177-Y192 HydrophobicContact CG2-CE1 4.4Å; V177-Y192 HydrophobicContact CG2-CE2 4.01Å; V177-V196 HydrophobicContact CG1-CG1 4.06Å; V177-L207 HydrophobicContact CG1-CD1 4.14Å; V177-L207 HydrophobicContact CG1-CD2 4.14Å; V177-Y220 HydrophobicContact CG2-CD1 4.4Å; V177-Y220 HydrophobicContact CG2-CE1 4.22Å
178A98.4Very high95.2Very high1 Ų174.8 Ų74.81%0.00841%0.411CS..EExtended strand (participates in β ladder)trans-160.2151.9-176.600000110.6W165 M187 I188 L198 L207W165-A178 PolarHBondContact N-O 2.91Å; A178-M187 CarbonylContact C-O 3.55Å; A178-M187 WeakPolarHBondContact CA-O 3.36Å; A178-M187 WeakPolarHBondContact CB-O 3.3Å; A178-I188 HydrophobicContact CB-CD1 3.54Å; A178-L198 HydrophobicContact CB-CB 4Å; A178-L198 HydrophobicContact CB-CD2 3.81Å; A178-L198 HydrophobicContact CB-CG 4.43Å; A178-L207 HydrophobicContact CB-CD1 3.95Å
179S98.2Very high95.3Very high20 Ų2075.3 Ų75.314%0.1441%0.41CS..EExtended strand (participates in β ladder)trans-137155173.665.20000111.5I163 P186 M187 L198I163-S179 CarbonylContact O-C 3.58Å; I163-S179 WeakPolarHBondContact O-CA 3.32Å; S179-P186 WeakPolarHBondContact O-CA 3.49Å; S179-M187 PolarHBondContact N-O 3.3Å; S179-M187 PolarHBondContact O-N 3.08Å; S179-L198 VanDerWaalsContact C-CD2 3.49Å
180F98.3Very high95.4Very high14 Ų1478 Ų786%0.06143%0.428CS..EExtended strand (participates in β ladder)trans-139.6110.6174.8175.5-116.8000108.9Q162 I163 S184 P186 L198 A200 L202Q162-F180 CarbonylContact C-O 3.54Å; Q162-F180 WeakPolarHBondContact CA-O 3.16Å; I163-F180 PolarHBondContact N-O 2.78Å; I163-F180 PolarHBondContact O-N 2.99Å; F180-S184 WeakPolarHBondContact CE2-O 3.17Å; F180-P186 HydrophobicContact CD2-CB 4.34Å; F180-P186 HydrophobicContact CD2-CG 3.84Å; F180-P186 HydrophobicContact CE2-CG 4.31Å; F180-L198 HydrophobicContact CB-CD2 3.73Å; F180-L198 HydrophobicContact CB-CG 4.46Å; F180-A200 HydrophobicContact CD2-CB 4.3Å; F180-A200 HydrophobicContact CE1-CB 4.48Å; F180-A200 HydrophobicContact CE2-CB 3.59Å; F180-A200 VanDerWaalsContact CZ-C 3.41Å; F180-A200 VanDerWaalsContact CZ-CA 3.46Å; F180-A200 HydrophobicContact CZ-CB 3.71Å; F180-L202 HydrophobicContact CD1-CD2 3.81Å; F180-L202 HydrophobicContact CD1-CG 4.41Å; F180-L202 HydrophobicContact CE1-CD2 3.8Å; F180-L202 HydrophobicContact CE1-CG 3.92Å
181A96.9Very high95.6Very high29 Ų2977.5 Ų77.524%0.2442%0.424CS..EExtended strand (participates in β ladder)trans-93.4153.4176.500000110.9Q162 R183 S184Q162-A181 HydrophobicContact CG-CB 4.43Å; A181-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact O-N 3.17Å; A181-S184 WeakPolarHBondContact CB-OG 3.16Å; A181-S184 PolarHBondContact N-OG 3.44Å; A181-S184 PolarHBondContact O-N 3.18Å; A181-S184 PolarHBondContact O-OG 3.1Å
182K95Very high96.2Very high77 Ų7769.9 Ų69.934%0.33539%0.387SS..THydrogen-bonded Turntrans-58.6121.9179-172.5166.4-165.4163.20110.1E158 Q161 S184 L202E158-K182 PolarHBondContact O-NZ 2.86Å; Q161-K182 WeakPolarHBondContact O-CB 3.46Å; Q161-K182 PolarHBondContact O-N 3.09Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 3.32Å; K182-L202 HydrophobicContact CB-CD1 4Å; K182-L202 HydrophobicContact CD-CD1 4.07Å; K182-L202 HydrophobicContact CG-CD1 3.83Å
183R92.4Very high96.6Very high241 Ų24173 Ų7391%0.90939%0.386SS*.THydrogen-bonded Turntrans65.922-178.4-50.4169.4179.3178-0.4114.5A181A181-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact O-N 3.17Å
184S95Very high96.8Very high53 Ų5368.1 Ų68.137%0.37138%0.381SS..SBendtrans-107.3176.2166.778.90000110.7F180 A181 K182F180-S184 WeakPolarHBondContact CE2-O 3.17Å; A181-S184 WeakPolarHBondContact CB-OG 3.16Å; A181-S184 PolarHBondContact N-OG 3.44Å; A181-S184 PolarHBondContact O-N 3.18Å; A181-S184 PolarHBondContact O-OG 3.1Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 3.32Å
185D96.1Very high96.8Very high139 Ų13968.6 Ų68.674%0.74337%0.374SS*.  trans-81.7156.5161.5-66.3-46.2000110.3M187D185-M187 PolarHBondContact O-N 3.09Å
186P97.4Very high96.8Very high44 Ų4465.5 Ų65.529%0.28636%0.355SS..  trans-61.3133.2169.4-20.732.2000111.5S179 F180 L198 A200S179-P186 WeakPolarHBondContact O-CA 3.49Å; F180-P186 HydrophobicContact CD2-CB 4.34Å; F180-P186 HydrophobicContact CD2-CG 3.84Å; F180-P186 HydrophobicContact CE2-CG 4.31Å; P186-L198 HydrophobicContact CB-CB 4.12Å; P186-L198 WeakPolarHBondContact CG-O 3.36Å; P186-A200 HydrophobicContact CG-CB 3.96Å
187M98Very high96.8Very high120 Ų12067.7 Ų67.759%0.59136%0.36SS*.EExtended strand (participates in β ladder)trans-105.3129.7177.3-173.9162.3-174.600109.7A178 S179 D185A178-M187 CarbonylContact C-O 3.55Å; A178-M187 WeakPolarHBondContact CA-O 3.36Å; A178-M187 WeakPolarHBondContact CB-O 3.3Å; S179-M187 PolarHBondContact N-O 3.3Å; S179-M187 PolarHBondContact O-N 3.08Å; D185-M187 PolarHBondContact O-N 3.09Å
188I98.4Very high96.8Very high28 Ų2868.3 Ų68.314%0.14436%0.363CS..EExtended strand (participates in β ladder)trans-114.6129.8179.3-51-59.1000108.8A178 Q193 V196 L198A178-I188 HydrophobicContact CB-CD1 3.54Å; I188-Q193 HydrophobicContact CB-CG 4.4Å; I188-Q193 HydrophobicContact CG2-CG 4.3Å; I188-Q193 PolarHBondContact O-NE2 2.87Å; I188-V196 HydrophobicContact CG2-CB 4.25Å; I188-L198 HydrophobicContact CD1-CB 3.98Å
189E98.2Very high96.8Very high58 Ų5870 Ų7027%0.27137%0.374SS..  trans-63.2144.2179.7-76.5-55.8124.900111.5E176 V177 A191 Y192 Q193E176-E189 HydrophobicContact CB-CG 4.01Å; E176-E189 WeakPolarHBondContact O-CG 3.38Å; V177-E189 WeakPolarHBondContact O-CB 3.37Å; V177-E189 PolarHBondContact O-N 2.77Å; E189-A191 PolarHBondContact O-N 2.7Å; E189-Y192 HydrophobicContact CB-CD2 3.99Å; E189-Y192 PolarHBondContact O-N 3.02Å; E189-Q193 PolarHBondContact O-N 2.92Å
190P97.3Very high96.7Very high95 Ų9572.3 Ų72.362%0.61740%0.395SS*.G310 helixtrans-52.3-36.5-172.1-29.936.2000114.9Y192 Q193P190-Y192 PolarHBondContact O-N 3.47Å; P190-Q193 PolarHBondContact O-N 2.82Å
191A94.9Very high96.6Very high84 Ų8473.3 Ų73.369%0.69440%0.404SS*.G310 helixtrans-65.1-18.317900000114E189E189-A191 PolarHBondContact O-N 2.7Å
192Y96.7Very high96.5Very high24 Ų2473.1 Ų73.19%0.09440%0.399CS..G310 helixtrans-113.1-5.1-174.9-61.6-82.5000113.4H167 E176 V177 E189 P190 R195 V196H167-Y192 PolarHBondContact ND1-OH 3.35Å; E176-Y192 WeakPolarHBondContact O-CE2 3.29Å; V177-Y192 HydrophobicContact CB-CD2 4.39Å; V177-Y192 HydrophobicContact CB-CE2 4.24Å; V177-Y192 HydrophobicContact CG1-CD1 4.03Å; V177-Y192 HydrophobicContact CG1-CD2 4.04Å; V177-Y192 HydrophobicContact CG1-CE1 4.22Å; V177-Y192 HydrophobicContact CG1-CE2 4.22Å; V177-Y192 HydrophobicContact CG1-CG 3.93Å; V177-Y192 HydrophobicContact CG2-CE1 4.4Å; V177-Y192 HydrophobicContact CG2-CE2 4.01Å; E189-Y192 HydrophobicContact CB-CD2 3.99Å; E189-Y192 PolarHBondContact O-N 3.02Å; P190-Y192 PolarHBondContact O-N 3.47Å; Y192-R195 PolarHBondContact O-N 2.86Å; Y192-V196 HydrophobicContact CD1-CG2 3.88Å; Y192-V196 HydrophobicContact CG-CG2 4.24Å; Y192-V196 PolarHBondContact O-N 2.81Å
193Q95.7Very high96.5Very high126 Ų12671 Ų7159%0.58939%0.394SS*.THydrogen-bonded Turntrans-59.1142.2-179.2-72.2-177.4-0.200112.2I188 E189 P190 R195I188-Q193 HydrophobicContact CB-CG 4.4Å; I188-Q193 HydrophobicContact CG2-CG 4.3Å; I188-Q193 PolarHBondContact O-NE2 2.87Å; E189-Q193 PolarHBondContact O-N 2.92Å; P190-Q193 PolarHBondContact O-N 2.82Å; Q193-R195 PolarHBondContact O-N 2.84Å
194G95.8Very high96.7Very high67 Ų6764.1 Ų64.169%0.69138%0.375SS*.THydrogen-bonded Turntrans76.3-7.5-178.100000115.3
195R96.8Very high96.8Very high67 Ų6761.7 Ų61.725%0.25336%0.358SS..THydrogen-bonded Turntrans-125.2-20.5176.1-56.6-167.2-54.5116.91.1114.7Y192 Q193 W197 I209 Q210 P211 D216Y192-R195 PolarHBondContact O-N 2.86Å; Q193-R195 PolarHBondContact O-N 2.84Å; R195-W197 VanDerWaalsContact C-CZ3 3.47Å; R195-W197 WeakPolarHBondContact O-CZ3 3.3Å; R195-I209 CarbonylContact O-C 3.47Å; R195-I209 WeakPolarHBondContact O-CA 3.4Å; R195-Q210 VanDerWaalsContact CA-O 3.31Å; R195-Q210 WeakPolarHBondContact CA-O 3.32Å; R195-Q210 PolarHBondContact O-N 3.01Å; R195-P211 PolarHBondContact NH1-O 3.39Å; R195-D216 IonicContact CZ-OD1 3.46Å; R195-D216 IonicContact NH1-OD1 3.44Å; R195-D216 IonicContact NH1-OD2 2.83Å; R195-D216 PolarHBondContact NH1-OD2 2.81Å; R195-D216 IonicContact NH2-OD1 2.75Å; R195-D216 PolarHBondContact NH2-OD1 2.96Å
196V98.1Very high96.9Very high3 Ų358.9 Ų58.92%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-120.1140-176.6-179.90000111.1V177 I188 Y192 L207 T208 I209V177-V196 HydrophobicContact CG1-CG1 4.06Å; I188-V196 HydrophobicContact CG2-CB 4.25Å; Y192-V196 HydrophobicContact CD1-CG2 3.88Å; Y192-V196 HydrophobicContact CG-CG2 4.24Å; Y192-V196 PolarHBondContact O-N 2.81Å; V196-L207 HydrophobicContact CG1-CD1 3.53Å; V196-L207 HydrophobicContact CG1-CG 4.13Å; V196-T208 CarbonylContact C-O 3.52Å; V196-T208 WeakPolarHBondContact CA-O 3.2Å; V196-I209 HydrophobicContact CG2-CG1 4.17Å; V196-I209 HydrophobicContact CG2-CG2 4.33Å
197W98.2Very high97Very high130 Ų13056.8 Ų56.849%0.49233%0.327SS..EExtended strand (participates in β ladder)trans-133.4144.4175-58.3-91.4000110.4R195 T208 Q210R195-W197 VanDerWaalsContact C-CZ3 3.47Å; R195-W197 WeakPolarHBondContact O-CZ3 3.3Å; W197-T208 HydrophobicContact CE3-CG2 4.05Å; W197-T208 PolarHBondContact N-O 3.32Å; W197-T208 PolarHBondContact O-N 3.48Å; W197-Q210 HydrophobicContact CH2-CB 4.48Å; W197-Q210 HydrophobicContact CZ3-CB 3.9Å
198L98.3Very high97Very high14 Ų1451.8 Ų51.87%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-118.4135.9176.4179.863.8000109.5W165 A178 S179 F180 P186 I188 S205 L207W165-L198 VanDerWaalsContact CD1-CD1 3.47Å; A178-L198 HydrophobicContact CB-CB 4Å; A178-L198 HydrophobicContact CB-CD2 3.81Å; A178-L198 HydrophobicContact CB-CG 4.43Å; S179-L198 VanDerWaalsContact C-CD2 3.49Å; F180-L198 HydrophobicContact CB-CD2 3.73Å; F180-L198 HydrophobicContact CB-CG 4.46Å; P186-L198 HydrophobicContact CB-CB 4.12Å; P186-L198 WeakPolarHBondContact CG-O 3.36Å; I188-L198 HydrophobicContact CD1-CB 3.98Å; L198-S205 WeakPolarHBondContact CD1-OG 3.33Å; L198-L207 HydrophobicContact CD1-CD1 4.29Å
199S96.9Very high97Very high36 Ų3650.5 Ų50.525%0.25230%0.296SS..  trans-68.4138.5175.161.80000111.9S201 D204 Q206S199-S201 PolarHBondContact O-N 2.8Å; S199-D204 PolarHBondContact OG-O 2.06Å; S199-Q206 PolarHBondContact N-O 2.85Å; S199-Q206 PolarHBondContact OG-N 2.77Å
200A96Very high96.9Very high70 Ų7052 Ų5258%0.57930%0.303SS*.SBendtrans-80.759.3173.800000112.3F180 P186F180-A200 HydrophobicContact CD2-CB 4.3Å; F180-A200 HydrophobicContact CE1-CB 4.48Å; F180-A200 HydrophobicContact CE2-CB 3.59Å; F180-A200 VanDerWaalsContact CZ-C 3.41Å; F180-A200 VanDerWaalsContact CZ-CA 3.46Å; F180-A200 HydrophobicContact CZ-CB 3.71Å; P186-A200 HydrophobicContact CG-CB 3.96Å
201S96.1Very high97Very high35 Ų3550.7 Ų50.725%0.24530%0.295CS..  trans-134.6135.4179177.80000111.2I163 S199 S203 D204I163-S201 WeakPolarHBondContact CD1-O 3.42Å; S199-S201 PolarHBondContact O-N 2.8Å; S201-S203 PolarHBondContact OG-N 3.03Å; S201-S203 PolarHBondContact OG-OG 3.31Å; S201-D204 VanDerWaalsContact CB-O 3.29Å; S201-D204 WeakPolarHBondContact CB-O 3.16Å; S201-D204 PolarHBondContact OG-N 3.45Å
202L95.7Very high97.1Very high25 Ų2546.8 Ų46.813%0.13126%0.262CS..SBendtrans-90.3-11.1177-66.7178.3000113.5P157 V160 I163 F180 K182 Y224P157-L202 HydrophobicContact CB-CB 4.04Å; V160-L202 HydrophobicContact CB-CB 4.35Å; V160-L202 HydrophobicContact CB-CD2 4.35Å; V160-L202 HydrophobicContact CG1-CD2 3.87Å; I163-L202 HydrophobicContact CD1-CD2 4.1Å; I163-L202 HydrophobicContact CG1-CD2 4.33Å; F180-L202 HydrophobicContact CD1-CD2 3.81Å; F180-L202 HydrophobicContact CD1-CG 4.41Å; F180-L202 HydrophobicContact CE1-CD2 3.8Å; F180-L202 HydrophobicContact CE1-CG 3.92Å; K182-L202 HydrophobicContact CB-CD1 4Å; K182-L202 HydrophobicContact CD-CD1 4.07Å; K182-L202 HydrophobicContact CG-CD1 3.83Å; L202-Y224 WeakPolarHBondContact O-CE1 3.49Å
203S94.9Very high97Very high33 Ų3346.8 Ų46.823%0.23127%0.267CS..SBendtrans-92.1-58.9172.958.50000109.7S153 F154 S201 Y224S153-S203 CarbonylContact C-O 3.51Å; S153-S203 VanDerWaalsContact CA-O 3.23Å; S153-S203 WeakPolarHBondContact CA-O 3.32Å; F154-S203 PolarHBondContact N-O 3.11Å; S201-S203 PolarHBondContact OG-N 3.03Å; S201-S203 PolarHBondContact OG-OG 3.31Å; S203-Y224 PolarHBondContact O-OH 2.8Å
204D96.3Very high97Very high96 Ų9642.1 Ų42.151%0.51325%0.246SC..EExtended strand (participates in β ladder)trans-115.196.9-170.1-57.4-74.4000109.8C152 S153 S199 S201C152-D204 CarbonylContact O-C 3.55Å; S153-D204 WeakPolarHBondContact CB-OD1 3.39Å; S199-D204 PolarHBondContact OG-O 2.06Å; S201-D204 VanDerWaalsContact CB-O 3.29Å; S201-D204 WeakPolarHBondContact CB-O 3.16Å; S201-D204 PolarHBondContact OG-N 3.45Å
205S97.5Very high96.9Very high1 Ų145.6 Ų45.61%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-90.3119-179.5-161.10000110.6S151 C152 W165 L198 Y224S151-S205 CarbonylContact C-O 3.51Å; S151-S205 VanDerWaalsContact CA-O 3.3Å; S151-S205 WeakPolarHBondContact CA-O 3.29Å; C152-S205 PolarHBondContact N-O 3.16Å; C152-S205 PolarHBondContact O-N 3.07Å; W165-S205 PolarHBondContact NE1-OG 2.63Å; L198-S205 WeakPolarHBondContact CD1-OG 3.33Å; S205-Y224 WeakPolarHBondContact CB-OH 3.38Å
206Q97.9Very high96.8Very high81 Ų8142.6 Ų42.638%0.37923%0.233SC..EExtended strand (participates in β ladder)trans-117.3119176.1-175.217491.900111L150 S199L150-Q206 CarbonylContact O-C 3.56Å; L150-Q206 WeakPolarHBondContact O-CA 3.4Å; S199-Q206 PolarHBondContact N-O 2.85Å; S199-Q206 PolarHBondContact OG-N 2.77Å
207L98.4Very high96.7Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-97.9115.4172.8-172.775.1000109.3S149 L150 W165 V177 A178 V196 L198 Y220S149-L207 CarbonylContact C-O 3.52Å; S149-L207 VanDerWaalsContact CA-O 3.32Å; S149-L207 WeakPolarHBondContact CA-O 3.49Å; L150-L207 HydrophobicContact CB-CB 4.49Å; L150-L207 PolarHBondContact N-O 3.4Å; L150-L207 PolarHBondContact O-N 3.01Å; W165-L207 HydrophobicContact CB-CD1 4.42Å; W165-L207 HydrophobicContact CB-CD2 4.31Å; W165-L207 HydrophobicContact CD2-CB 3.93Å; W165-L207 HydrophobicContact CD2-CD2 3.98Å; W165-L207 HydrophobicContact CD2-CG 4.4Å; W165-L207 HydrophobicContact CE3-CB 4.2Å; W165-L207 HydrophobicContact CE3-CD2 3.8Å; W165-L207 HydrophobicContact CG-CB 4.4Å; W165-L207 HydrophobicContact CG-CD1 4.27Å; W165-L207 HydrophobicContact CG-CD2 4.23Å; W165-L207 HydrophobicContact CH2-CB 4.35Å; W165-L207 HydrophobicContact CZ2-CB 4.1Å; W165-L207 HydrophobicContact CZ3-CB 4.4Å; W165-L207 HydrophobicContact CZ3-CD2 4.41Å; V177-L207 HydrophobicContact CG1-CD1 4.14Å; V177-L207 HydrophobicContact CG1-CD2 4.14Å; A178-L207 HydrophobicContact CB-CD1 3.95Å; V196-L207 HydrophobicContact CG1-CD1 3.53Å; V196-L207 HydrophobicContact CG1-CG 4.13Å; L198-L207 HydrophobicContact CD1-CD1 4.29Å; L207-Y220 HydrophobicContact CD2-CD1 3.66Å; L207-Y220 HydrophobicContact CD2-CE1 3.98Å
208T98.3Very high96.6Very high14 Ų1439.2 Ų39.29%0.08623%0.225CC..EExtended strand (participates in β ladder)trans-106.4132.9-179.5-68.50000110.7K147 A148 S149 V196 W197K147-T208 HydrophobicContact CD-CG2 4.28Å; K147-T208 HydrophobicContact CG-CG2 4.07Å; A148-T208 CarbonylContact O-C 3.59Å; A148-T208 WeakPolarHBondContact O-CA 3.37Å; S149-T208 PolarHBondContact OG-OG1 2.9Å; V196-T208 CarbonylContact C-O 3.52Å; V196-T208 WeakPolarHBondContact CA-O 3.2Å; W197-T208 HydrophobicContact CE3-CG2 4.05Å; W197-T208 PolarHBondContact N-O 3.32Å; W197-T208 PolarHBondContact O-N 3.48Å
209I98.5Very high96.6Very high1 Ų140.6 Ų40.61%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-121.6123.8179.1-51.6171.1000108.8K147 A148 R195 V196 V212 Y220 L238K147-I209 WeakPolarHBondContact CA-O 3.17Å; A148-I209 PolarHBondContact N-O 3.48Å; A148-I209 PolarHBondContact O-N 2.86Å; R195-I209 CarbonylContact O-C 3.47Å; R195-I209 WeakPolarHBondContact O-CA 3.4Å; V196-I209 HydrophobicContact CG2-CG1 4.17Å; V196-I209 HydrophobicContact CG2-CG2 4.33Å; I209-V212 HydrophobicContact CB-CG2 4.19Å; I209-V212 HydrophobicContact CG2-CG2 4.07Å; I209-Y220 HydrophobicContact CD1-CE1 4.16Å; I209-Y220 HydrophobicContact CD1-CE2 4.41Å; I209-Y220 WeakPolarHBondContact CD1-OH 3.3Å; I209-L238 HydrophobicContact CD1-CD2 4.03Å
210Q97.6Very high96.7Very high91 Ų9139 Ų3943%0.42522%0.224SC..SBendtrans-155.8125.5174.7-174.8178.7-1700112K147 R195 W197K147-Q210 HydrophobicContact CB-CB 4.19Å; K147-Q210 HydrophobicContact CB-CG 4.1Å; K147-Q210 HydrophobicContact CG-CB 4.25Å; R195-Q210 VanDerWaalsContact CA-O 3.31Å; R195-Q210 WeakPolarHBondContact CA-O 3.32Å; R195-Q210 PolarHBondContact O-N 3.01Å; W197-Q210 HydrophobicContact CH2-CB 4.48Å; W197-Q210 HydrophobicContact CZ3-CB 3.9Å
211P97.7Very high96.8Very high66 Ų6636.4 Ų36.443%0.42920%0.201SC..SBendcis-74.8144-7.630.2-33.3000111.9R195R195-P211 PolarHBondContact NH1-O 3.39Å
212V97.3Very high96.9Very high2 Ų234.7 Ų34.71%0.01219%0.189CC..  trans-69.7133.7170.9174.30000110.6A142 S144 G145 K146 A148 I209 T240A142-V212 HydrophobicContact CB-CG1 4.14Å; A142-V212 HydrophobicContact CB-CG2 4.23Å; S144-V212 CarbonylContact C-O 3.49Å; S144-V212 WeakPolarHBondContact CA-O 3.5Å; S144-V212 PolarHBondContact OG-O 2.93Å; G145-V212 PolarHBondContact N-O 2.95Å; K146-V212 WeakPolarHBondContact O-CG2 3.27Å; K146-V212 PolarHBondContact O-N 3.27Å; A148-V212 HydrophobicContact CB-CG2 3.56Å; I209-V212 HydrophobicContact CB-CG2 4.19Å; I209-V212 HydrophobicContact CG2-CG2 4.07Å; V212-T240 HydrophobicContact CG1-CG2 4.04Å
213A95.3Very high97Very high24 Ų2436 Ų3620%0.19819%0.194CC..  trans-115.6169.8175.700000111.9Q215 D216 T240A213-Q215 VanDerWaalsContact C-N 3.25Å; A213-Q215 PolarHBondContact O-N 3.47Å; A213-D216 PolarHBondContact N-OD2 2.92Å; A213-D216 PolarHBondContact O-N 3.15Å; A213-T240 PolarHBondContact O-OG1 2.64Å
214I95.1Very high97.1Very high28 Ų2834.5 Ų34.514%0.14418%0.183CC..G310 helixtrans-65.8-33.8177-62.6172.6000110.4D216 E217 V242 D295 T297I214-D216 PolarHBondContact O-N 2.73Å; I214-E217 WeakPolarHBondContact O-CB 3.44Å; I214-E217 PolarHBondContact O-N 2.76Å; I214-E217 VanDerWaalsContact O-N 3.09Å; I214-V242 HydrophobicContact CD1-CG2 3.8Å; I214-V242 HydrophobicContact CG1-CG2 3.95Å; I214-D295 WeakPolarHBondContact CD1-O 3.33Å; I214-T297 HydrophobicContact CD1-CG2 3.87Å
215Q93.1Very high97.1Very high140 Ų14032.9 Ų32.965%0.65417%0.173SC*.G310 helixtrans-68.9-19.2179.5-59.678.315.500113.1H167 A213 E217H167-Q215 PolarHBondContact CE1-O 3.04Å; A213-Q215 VanDerWaalsContact C-N 3.25Å; A213-Q215 PolarHBondContact O-N 3.47Å; Q215-E217 PolarHBondContact O-N 2.73Å
216D95.4Very high96.9Very high5 Ų533.6 Ų33.63%0.02718%0.177CC..G310 helixtrans-76.9-6174.9-56.9-41.5000111.2H167 R195 A213 I214 G218 Y220 L238H167-D216 PolarHBondContact NE2-O 2.63Å; R195-D216 IonicContact CZ-OD1 3.46Å; R195-D216 IonicContact NH1-OD1 3.44Å; R195-D216 IonicContact NH1-OD2 2.83Å; R195-D216 PolarHBondContact NH1-OD2 2.81Å; R195-D216 IonicContact NH2-OD1 2.75Å; R195-D216 PolarHBondContact NH2-OD1 2.96Å; A213-D216 PolarHBondContact N-OD2 2.92Å; A213-D216 PolarHBondContact O-N 3.15Å; I214-D216 PolarHBondContact O-N 2.73Å; D216-G218 PolarHBondContact O-N 2.81Å; D216-Y220 WeakPolarHBondContact O-CE2 3.4Å; D216-Y220 PolarHBondContact O-OH 2.8Å; D216-L238 HydrophobicContact CB-CD2 4.41Å
217E95.7Very high96.3Very high53 Ų5337 Ų3725%0.24819%0.192CC..  trans-64.3132.9174.7-174.8166.3127.500111.1H167 I214 Q215 L238 T240 R267H167-E217 PolarHBondContact NE2-O 2.02Å; I214-E217 WeakPolarHBondContact O-CB 3.44Å; I214-E217 PolarHBondContact O-N 2.76Å; I214-E217 VanDerWaalsContact O-N 3.09Å; Q215-E217 PolarHBondContact O-N 2.73Å; E217-L238 WeakPolarHBondContact CG-O 3.23Å; E217-T240 PolarHBondContact OE2-N 3.23Å; E217-R267 IonicContact OE1-CZ 3.24Å; E217-R267 IonicContact OE1-NH2 3.89Å; E217-R267 PolarHBondContact OE1-NH2 2.88Å; E217-R267 IonicContact OE2-CZ 3.03Å; E217-R267 IonicContact OE2-NE 3.83Å; E217-R267 IonicContact OE2-NH2 3.4Å; E217-R267 PolarHBondContact OE2-NH2 2.8Å; E217-R267 VanDerWaalsContact OE2-NH2 3.09Å
218G96.9Very high95.3Very high9 Ų941.3 Ų41.39%0.09322%0.223CC..EExtended strand (participates in β ladder)trans149.7-175-175.700000112.3T168 D216 C237 L238T168-G218 CarbonylContact O-C 3.54Å; T168-G218 WeakPolarHBondContact O-CA 3.4Å; D216-G218 PolarHBondContact O-N 2.81Å; G218-C237 CarbonylContact O-C 3.6Å; G218-C237 WeakPolarHBondContact O-CA 3.44Å; G218-L238 PolarHBondContact N-O 3.01Å; G218-L238 VanDerWaalsContact N-O 3.08Å; G218-L238 PolarHBondContact O-N 2.92Å
219C98Very high94.4Very high43 Ų4343 Ų4329%0.29123%0.23SC..EExtended strand (participates in β ladder)trans-99.2131.5177.8-61.80000110.5T168 V235 C237T168-C219 PolarHBondContact N-O 3.13Å; T168-C219 PolarHBondContact O-N 3.05Å; C219-V235 HydrophobicContact CB-CG1 3.76Å; C219-C237 HydrophobicContact CB-CB 4.13Å; C219-C237 WeakPolarHBondContact CB-SG 3.22Å; C219-C237 WeakPolarHBondContact SG-CB 2.92Å; C219-C237 CovalentContact SG-SG 2.06Å; C219-C237 PolarHBondContact SG-SG 2.93Å
220Y98.3Very high93.9Very high1 Ų144.9 Ų44.90%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-104.7125.1176.3-69.9-98.7000108.6L150 K166 H167 V177 L207 I209 D216 V235 V236 L238L150-Y220 HydrophobicContact CD1-CD1 4.1Å; L150-Y220 HydrophobicContact CD1-CD2 3.36Å; L150-Y220 HydrophobicContact CD1-CE2 3.89Å; L150-Y220 HydrophobicContact CD1-CG 3.47Å; L150-Y220 VanDerWaalsContact CD1-CG 3.47Å; K166-Y220 CarbonylContact O-C 3.47Å; K166-Y220 VanDerWaalsContact O-CA 3.25Å; K166-Y220 WeakPolarHBondContact O-CA 3.03Å; H167-Y220 HydrophobicContact CB-CD1 4.02Å; H167-Y220 HydrophobicContact CB-CE1 3.74Å; H167-Y220 AromaticContact CD2-CE1 3.72Å; H167-Y220 AromaticContact CD2-CE2 3.54Å; H167-Y220 AromaticContact CD2-CZ 3.36Å; H167-Y220 AromaticContact CG-CE1 3.9Å; H167-Y220 AromaticContact CG-CZ 3.92Å; H167-Y220 AromaticContact NE2-CZ 3.95Å; V177-Y220 HydrophobicContact CG2-CD1 4.4Å; V177-Y220 HydrophobicContact CG2-CE1 4.22Å; L207-Y220 HydrophobicContact CD2-CD1 3.66Å; L207-Y220 HydrophobicContact CD2-CE1 3.98Å; I209-Y220 HydrophobicContact CD1-CE1 4.16Å; I209-Y220 HydrophobicContact CD1-CE2 4.41Å; I209-Y220 WeakPolarHBondContact CD1-OH 3.3Å; D216-Y220 WeakPolarHBondContact O-CE2 3.4Å; D216-Y220 PolarHBondContact O-OH 2.8Å; Y220-V235 CarbonylContact O-C 3.53Å; Y220-V235 WeakPolarHBondContact O-CA 3.08Å; Y220-V236 PolarHBondContact N-O 3.23Å; Y220-V236 PolarHBondContact O-N 3.08Å; Y220-L238 HydrophobicContact CD2-CB 4.19Å; Y220-L238 HydrophobicContact CE2-CB 3.92Å; Y220-L238 HydrophobicContact CE2-CD2 4.05Å
221T98.3Very high93.8Very high16 Ų1644.6 Ų44.610%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-108.9123.4178.5-51.20000109.1W165 K166 F223 S234 V235W165-T221 WeakPolarHBondContact CA-O 3.47Å; K166-T221 PolarHBondContact N-O 2.84Å; K166-T221 PolarHBondContact O-N 2.96Å; T221-F223 HydrophobicContact CG2-CD1 4.43Å; T221-F223 HydrophobicContact CG2-CD2 3.97Å; T221-F223 HydrophobicContact CG2-CE1 3.92Å; T221-F223 HydrophobicContact CG2-CE2 3.39Å; T221-F223 HydrophobicContact CG2-CG 4.46Å; T221-F223 HydrophobicContact CG2-CZ 3.36Å; T221-S234 WeakPolarHBondContact CA-O 3.39Å; T221-S234 WeakPolarHBondContact CG2-O 3.23Å; T221-V235 HydrophobicContact CG2-CG2 3.99Å
222C98Very high93.7Very high0 Ų043.4 Ų43.40%024%0.242CC..EExtended strand (participates in β ladder)trans-93.9125.2171.457.40000108.6C152 L164 W165 Y224 S233 S234C152-C222 HydrophobicContact CB-CB 3.69Å; C152-C222 WeakPolarHBondContact CB-SG 3.48Å; C152-C222 WeakPolarHBondContact SG-CB 3.44Å; C152-C222 CovalentContact SG-SG 2.02Å; C152-C222 PolarHBondContact SG-SG 3.29Å; L164-C222 CarbonylContact O-C 3.58Å; W165-C222 HydrophobicContact CD2-CB 4.01Å; W165-C222 HydrophobicContact CE3-CB 4.15Å; W165-C222 HydrophobicContact CH2-CB 3.93Å; W165-C222 HydrophobicContact CZ2-CB 3.75Å; W165-C222 HydrophobicContact CZ3-CB 4.11Å; C222-Y224 HydrophobicContact CB-CE2 4.47Å; C222-S233 WeakPolarHBondContact O-CA 3.43Å; C222-S233 WeakPolarHBondContact O-CB 3.48Å; C222-S234 PolarHBondContact N-O 2.81Å; C222-S234 PolarHBondContact O-N 2.83Å; C222-S234 VanDerWaalsContact O-N 3.13Å; C222-S234 PolarHBondContact SG-O 3.24Å
223F97.9Very high93.6Very high53 Ų5346.3 Ų46.323%0.23226%0.262CS..EExtended strand (participates in β ladder)trans-110.3124.7177.3-64.9-88.4000108.8I163 L164 K166 T221 T231 K232I163-F223 CarbonylContact C-O 3.56Å; I163-F223 VanDerWaalsContact CA-O 3.24Å; I163-F223 WeakPolarHBondContact CA-O 3.31Å; L164-F223 HydrophobicContact CB-CB 4.27Å; L164-F223 PolarHBondContact N-O 3.35Å; L164-F223 PolarHBondContact O-N 3.16Å; K166-F223 HydrophobicContact CB-CE2 4.04Å; K166-F223 HydrophobicContact CD-CD2 4.47Å; K166-F223 HydrophobicContact CD-CE2 3.88Å; K166-F223 HydrophobicContact CG-CD2 4.1Å; K166-F223 HydrophobicContact CG-CE2 3.76Å; T221-F223 HydrophobicContact CG2-CD1 4.43Å; T221-F223 HydrophobicContact CG2-CD2 3.97Å; T221-F223 HydrophobicContact CG2-CE1 3.92Å; T221-F223 HydrophobicContact CG2-CE2 3.39Å; T221-F223 HydrophobicContact CG2-CG 4.46Å; T221-F223 HydrophobicContact CG2-CZ 3.36Å; F223-T231 HydrophobicContact CB-CG2 3.84Å; F223-T231 HydrophobicContact CD1-CG2 3.74Å; F223-T231 HydrophobicContact CG-CG2 4.27Å; F223-K232 CarbonylContact C-O 3.56Å; F223-K232 WeakPolarHBondContact CA-O 3.38Å
224Y97.7Very high93.8Very high0 Ų046.3 Ų46.30%026%0.261CS..EExtended strand (participates in β ladder)trans-101.6106.6171.2-75.6-105.6000107.8V134 C152 F154 V160 I163 L202 S203 S205 C222 T231 K232V134-Y224 HydrophobicContact CB-CD2 4.39Å; V134-Y224 HydrophobicContact CG1-CD2 3.75Å; V134-Y224 HydrophobicContact CG1-CE2 3.66Å; V134-Y224 HydrophobicContact CG2-CD2 3.62Å; V134-Y224 HydrophobicContact CG2-CE2 4.27Å; V134-Y224 HydrophobicContact CG2-CG 4.04Å; C152-Y224 HydrophobicContact CB-CE2 4.03Å; C152-Y224 PolarHBondContact O-OH 3.18Å; F154-Y224 HydrophobicContact CB-CD1 3.52Å; F154-Y224 HydrophobicContact CB-CD2 4.39Å; F154-Y224 HydrophobicContact CB-CE1 3.36Å; F154-Y224 HydrophobicContact CB-CE2 4.28Å; F154-Y224 HydrophobicContact CB-CG 4.03Å; F154-Y224 HydrophobicContact CD1-CD1 4.05Å; F154-Y224 AromaticContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CE1 4.27Å; F154-Y224 HydrophobicContact CG-CG 4.29Å; V160-Y224 HydrophobicContact CG1-CD1 3.89Å; V160-Y224 HydrophobicContact CG2-CD1 3.76Å; I163-Y224 HydrophobicContact CD1-CD1 4.11Å; I163-Y224 HydrophobicContact CD1-CE1 3.57Å; I163-Y224 HydrophobicContact CG1-CD1 3.74Å; I163-Y224 HydrophobicContact CG1-CE1 3.71Å; I163-Y224 HydrophobicContact CG1-CG 4.26Å; L202-Y224 WeakPolarHBondContact O-CE1 3.49Å; S203-Y224 PolarHBondContact O-OH 2.8Å; S205-Y224 WeakPolarHBondContact CB-OH 3.38Å; C222-Y224 HydrophobicContact CB-CE2 4.47Å; Y224-T231 WeakPolarHBondContact O-CA 3.42Å; Y224-K232 PolarHBondContact N-O 2.88Å; Y224-K232 PolarHBondContact O-N 3.17Å
225E96.3Very high93.9Very high63 Ų6348.2 Ų48.229%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-82.9115.7175.4-67.2173.6-152.800109Q161 Q162 T231Q161-E225 PolarHBondContact N-O 2.89Å; Q162-E225 HydrophobicContact CB-CB 4.28Å; Q162-E225 PolarHBondContact NE2-OE1 2.84Å; Q162-E225 PolarHBondContact O-N 3.42Å; E225-T231 HydrophobicContact CG-CG2 4.29Å
226T93.3Very high94.1Very high15 Ų1541.6 Ų41.69%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-105.2152.1-179.476.60000111.1F154 K159 S228 E229 G230F154-T226 HydrophobicContact CE1-CG2 4.23Å; F154-T226 HydrophobicContact CZ-CG2 4.23Å; K159-T226 VanDerWaalsContact O-CA 3.31Å; K159-T226 WeakPolarHBondContact O-CA 3.25Å; T226-S228 VanDerWaalsContact C-N 3.31Å; T226-S228 PolarHBondContact O-N 2.81Å; T226-E229 WeakPolarHBondContact OG1-CA 3.25Å; T226-E229 WeakPolarHBondContact OG1-CB 3.2Å; T226-E229 PolarHBondContact OG1-N 3.47Å; T226-E229 VanDerWaalsContact OG1-N 3.1Å; T226-G230 WeakPolarHBondContact CB-O 3.42Å; T226-G230 PolarHBondContact N-O 2.84Å; T226-G230 VanDerWaalsContact N-O 3.13Å; T226-G230 PolarHBondContact OG1-N 3.06Å; T226-G230 PolarHBondContact OG1-O 2.91Å
227H84.2Confident94.2Very high153 Ų15342.6 Ų42.671%0.70825%0.25SC*.SBendtrans-65.2-28.8-176.5-179.2-90.2000114.1K159 Q161K159-H227 PolarHBondContact O-N 2.9Å; Q161-H227 HydrophobicContact CG-CB 4.15Å
228S78.2Confident94.3Very high91 Ų9140.2 Ų40.264%0.63624%0.238SC*.SBendtrans-134.3-18.5-169.552.20000115.4T226T226-S228 VanDerWaalsContact C-N 3.31Å; T226-S228 PolarHBondContact O-N 2.81Å
229E79.6Confident94.3Very high50 Ų5042.2 Ų42.223%0.23425%0.251CS..SBendtrans-107.910.6-174.3-63.7-178.4-174.800112.7K159 T226K159-E229 IonicContact NZ-OE1 3.24Å; K159-E229 PolarHBondContact NZ-OE1 3.01Å; T226-E229 WeakPolarHBondContact OG1-CA 3.25Å; T226-E229 WeakPolarHBondContact OG1-CB 3.2Å; T226-E229 PolarHBondContact OG1-N 3.47Å; T226-E229 VanDerWaalsContact OG1-N 3.1Å
230G88.5Confident94.2Very high40 Ų4040.2 Ų40.241%0.41224%0.238SC..  trans71.9-156.7-175.700000112.2T226T226-G230 WeakPolarHBondContact CB-O 3.42Å; T226-G230 PolarHBondContact N-O 2.84Å; T226-G230 VanDerWaalsContact N-O 3.13Å; T226-G230 PolarHBondContact OG1-N 3.06Å; T226-G230 PolarHBondContact OG1-O 2.91Å
231T94.6Very high94.2Very high84 Ų8442.7 Ų42.752%0.51525%0.247SC..EExtended strand (participates in β ladder)trans-94.8128.7-177.4-51.70000110.3F223 Y224 E225F223-T231 HydrophobicContact CB-CG2 3.84Å; F223-T231 HydrophobicContact CD1-CG2 3.74Å; F223-T231 HydrophobicContact CG-CG2 4.27Å; Y224-T231 WeakPolarHBondContact O-CA 3.42Å; E225-T231 HydrophobicContact CG-CG2 4.29Å
232K95.3Very high94.1Very high42 Ų4243.3 Ų43.318%0.18325%0.251CS..EExtended strand (participates in β ladder)trans-105.4148.9170.3-59-69-170.7114.70108.9D131 A132 V134 F154 F223 Y224D131-K232 IonicContact OD1-NZ 2.69Å; D131-K232 PolarHBondContact OD1-NZ 3.45Å; D131-K232 IonicContact OD2-NZ 3.48Å; A132-K232 PolarHBondContact O-NZ 3.49Å; A132-K232 VanDerWaalsContact O-NZ 3.08Å; V134-K232 HydrophobicContact CG2-CB 3.52Å; F154-K232 HydrophobicContact CE2-CB 4.4Å; F154-K232 HydrophobicContact CE2-CG 4.15Å; F154-K232 HydrophobicContact CZ-CG 4.48Å; F223-K232 CarbonylContact C-O 3.56Å; F223-K232 WeakPolarHBondContact CA-O 3.38Å; Y224-K232 PolarHBondContact N-O 2.88Å; Y224-K232 PolarHBondContact O-N 3.17Å
233S97Very high94.1Very high62 Ų6246 Ų4643%0.43427%0.265SS..EExtended strand (participates in β ladder)trans-149.2159.918059.90000113.7C222C222-S233 WeakPolarHBondContact O-CA 3.43Å; C222-S233 WeakPolarHBondContact O-CB 3.48Å
234S97.9Very high94Very high25 Ų2543.7 Ų43.718%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-141.7160166.7-164.20000110.3S136 T221 C222S136-S234 WeakPolarHBondContact CB-OG 3.34Å; S136-S234 PolarHBondContact OG-OG 2.8Å; T221-S234 WeakPolarHBondContact CA-O 3.39Å; T221-S234 WeakPolarHBondContact CG2-O 3.23Å; C222-S234 PolarHBondContact N-O 2.81Å; C222-S234 PolarHBondContact O-N 2.83Å; C222-S234 VanDerWaalsContact O-N 3.13Å; C222-S234 PolarHBondContact SG-O 3.24Å
235V97.4Very high93.9Very high68 Ų6852.1 Ų52.141%0.41229%0.292SS..EExtended strand (participates in β ladder)trans-119141.5-174.8-174.90000109.8S136 C219 Y220 T221S136-V235 PolarHBondContact OG-O 3.01Å; C219-V235 HydrophobicContact CB-CG1 3.76Å; Y220-V235 CarbonylContact O-C 3.53Å; Y220-V235 WeakPolarHBondContact O-CA 3.08Å; T221-V235 HydrophobicContact CG2-CG2 3.99Å
236V97.6Very high93.8Very high0 Ų049.7 Ų49.70%028%0.282CS..EExtended strand (participates in β ladder)trans-136.6125.8169.556.50000109.1E137 L150 W165 Y220E137-V236 WeakPolarHBondContact O-CG2 3.26Å; L150-V236 HydrophobicContact CB-CG1 3.94Å; L150-V236 HydrophobicContact CD1-CG1 4.24Å; L150-V236 HydrophobicContact CD2-CG1 4.31Å; L150-V236 HydrophobicContact CD2-CG2 4.04Å; L150-V236 HydrophobicContact CG-CG1 4.39Å; W165-V236 HydrophobicContact CH2-CG1 4.24Å; W165-V236 HydrophobicContact CZ3-CG1 3.98Å; Y220-V236 PolarHBondContact N-O 3.23Å; Y220-V236 PolarHBondContact O-N 3.08Å
237C97.7Very high93.9Very high27 Ų2755 Ų5518%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-97.7135.3-179.8-50.90000111.7N139 K140 G218 C219N139-C237 CarbonylContact C-O 3.56Å; N139-C237 VanDerWaalsContact CA-O 3.29Å; N139-C237 WeakPolarHBondContact CA-O 3.39Å; N139-C237 PolarHBondContact OD1-N 3.1Å; N139-C237 VanDerWaalsContact OD1-N 3.1Å; K140-C237 PolarHBondContact N-O 3.38Å; G218-C237 CarbonylContact O-C 3.6Å; G218-C237 WeakPolarHBondContact O-CA 3.44Å; C219-C237 HydrophobicContact CB-CB 4.13Å; C219-C237 WeakPolarHBondContact CB-SG 3.22Å; C219-C237 WeakPolarHBondContact SG-CB 2.92Å; C219-C237 CovalentContact SG-SG 2.06Å; C219-C237 PolarHBondContact SG-SG 2.93Å
238L97.8Very high94.4Very high2 Ų249.2 Ų49.21%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-104.7126.6177.8-178.962.7000109.3K140 A142 A148 L150 I209 D216 E217 G218 Y220K140-L238 HydrophobicContact CB-CD1 4.31Å; K140-L238 CarbonylContact O-C 3.53Å; K140-L238 WeakPolarHBondContact O-CA 3.44Å; A142-L238 HydrophobicContact CB-CD1 3.77Å; A148-L238 HydrophobicContact CB-CD1 4.48Å; L150-L238 HydrophobicContact CD2-CD1 4.46Å; I209-L238 HydrophobicContact CD1-CD2 4.03Å; D216-L238 HydrophobicContact CB-CD2 4.41Å; E217-L238 WeakPolarHBondContact CG-O 3.23Å; G218-L238 PolarHBondContact N-O 3.01Å; G218-L238 VanDerWaalsContact N-O 3.08Å; G218-L238 PolarHBondContact O-N 2.92Å; Y220-L238 HydrophobicContact CD2-CB 4.19Å; Y220-L238 HydrophobicContact CE2-CB 3.92Å; Y220-L238 HydrophobicContact CE2-CD2 4.05Å
239S96.5Very high95Very high51 Ų5148 Ų4836%0.35727%0.272SS..EExtended strand (participates in β ladder)trans-110.5145.1167.9-57.20000110.4K140 T141 A142K140-S239 PolarHBondContact O-N 3.21Å; T141-S239 CarbonylContact C-O 3.59Å; T141-S239 VanDerWaalsContact CA-O 3.27Å; T141-S239 WeakPolarHBondContact CA-O 3.36Å; A142-S239 PolarHBondContact N-O 3.03Å
240T96.5Very high95.5Very high2 Ų250.2 Ų50.21%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-114.1129.2-176.3-59.40000111.6A142 V212 A213 E217A142-T240 CarbonylContact O-C 3.53Å; A142-T240 WeakPolarHBondContact O-CA 3.47Å; V212-T240 HydrophobicContact CG1-CG2 4.04Å; A213-T240 PolarHBondContact O-OG1 2.64Å; E217-T240 PolarHBondContact OE2-N 3.23Å
241Y97.6Very high95.6Very high53 Ų5353.5 Ų53.521%0.20828%0.282CS..EExtended strand (participates in β ladder)trans-100134.3171.7-76.10.2000111.3T141 A142 V143 S144 R267 P268 K323T141-Y241 HydrophobicContact CG2-CD1 3.56Å; T141-Y241 HydrophobicContact CG2-CD2 3.68Å; T141-Y241 HydrophobicContact CG2-CE1 3.51Å; T141-Y241 HydrophobicContact CG2-CE2 3.67Å; T141-Y241 HydrophobicContact CG2-CG 3.65Å; A142-Y241 PolarHBondContact O-N 3.39Å; V143-Y241 CarbonylContact C-O 3.54Å; V143-Y241 WeakPolarHBondContact CA-O 3.28Å; S144-Y241 PolarHBondContact N-O 2.75Å; Y241-R267 CarbonylContact C-O 3.56Å; Y241-R267 WeakPolarHBondContact CA-O 3.5Å; Y241-P268 VanDerWaalsContact CE1-CD 3.43Å; Y241-P268 HydrophobicContact CE1-CG 4.17Å; Y241-K323 HydrophobicContact CE2-CB 3.75Å
242V97.5Very high95.3Very high28 Ų2854.1 Ų54.117%0.1729%0.286CS..BIsolated β-bridgetrans-107.5110.6168.4-179.60000107.2I214 S266 R267 T297I214-V242 HydrophobicContact CD1-CG2 3.8Å; I214-V242 HydrophobicContact CG1-CG2 3.95Å; V242-S266 WeakPolarHBondContact O-CA 3.17Å; V242-S266 WeakPolarHBondContact O-CB 3.09Å; V242-R267 HydrophobicContact CB-CB 3.91Å; V242-R267 HydrophobicContact CG2-CB 3.98Å; V242-R267 PolarHBondContact N-O 3.33Å; V242-R267 PolarHBondContact O-N 2.93Å; V242-T297 HydrophobicContact CB-CG2 4.25Å; V242-T297 HydrophobicContact CG1-CG2 4.23Å; V242-T297 HydrophobicContact CG2-CG2 4.02Å
243L96.9Very high94.9Very high56 Ų5656 Ų5629%0.29330%0.301SS..  trans-68.2141.3-177.6-61.3-177.3000111V143 G324 L325V143-L243 HydrophobicContact CG1-CD1 3.78Å; V143-L243 HydrophobicContact CG1-CD2 4.45Å; V143-L243 HydrophobicContact CG1-CG 3.69Å; V143-L243 HydrophobicContact CG2-CD1 4.42Å; V143-L243 HydrophobicContact CG2-CD2 4.27Å; V143-L243 HydrophobicContact CG2-CG 4.35Å; L243-G324 WeakPolarHBondContact CD2-O 3.5Å; L243-L325 HydrophobicContact CD1-CD2 4.01Å; L243-L325 HydrophobicContact CD2-CD2 3.98Å; L243-L325 HydrophobicContact CD2-CG 4.24Å; L243-L325 HydrophobicContact CG-CD2 4.43Å
244P96.8Very high94.4Very high5 Ų555.7 Ų55.73%0.03230%0.299CS..  trans-65.5143-179.827.8-35.8000112.1S264 V265 A270 V320 H322 L325 I329P244-S264 WeakPolarHBondContact CB-OG 3.44Å; P244-V265 WeakPolarHBondContact CA-O 3.44Å; P244-A270 HydrophobicContact CB-CB 4.33Å; P244-V320 HydrophobicContact CB-CG1 3.85Å; P244-V320 HydrophobicContact CG-CG1 4.01Å; P244-H322 HydrophobicContact CG-CB 3.77Å; P244-L325 HydrophobicContact CG-CD1 3.78Å; P244-I329 HydrophobicContact CG-CD1 4.13Å; P244-I329 WeakPolarHBondContact O-CD1 3.35Å
245K94.4Very high93.8Very high177 Ų17760.8 Ų60.877%0.7733%0.331SS*.  trans-120.881.1166.3-69.1-177.6-177.5175.50108.9
246P95.6Very high93.2Very high12 Ų1259.1 Ų59.18%0.07833%0.328CS..  trans-70.6146.1-171.627.1-33.7000112.8T263 V320 I329 V331P246-T263 CarbonylContact C-O 3.53Å; P246-T263 WeakPolarHBondContact CA-O 3.37Å; P246-V320 HydrophobicContact CB-CB 4.33Å; P246-V320 HydrophobicContact CB-CG2 3.61Å; P246-V320 HydrophobicContact CG-CB 4.27Å; P246-V320 HydrophobicContact CG-CG2 4Å; P246-I329 HydrophobicContact CG-CB 3.95Å; P246-I329 HydrophobicContact CG-CD1 4.29Å; P246-I329 HydrophobicContact CG-CG2 3.56Å; P246-V331 HydrophobicContact CB-CG2 3.98Å; P246-V331 HydrophobicContact CG-CG2 3.59Å
247Q94.6Very high92.9Very high127 Ų12760.6 Ų60.659%0.59334%0.337SS*.EExtended strand (participates in β ladder)trans-129.4138.4175.1-63.1-63.3-32.500109.1C262 T263Q247-C262 CarbonylContact O-C 3.55Å; Q247-C262 WeakPolarHBondContact O-CA 3.25Å; Q247-T263 PolarHBondContact N-O 3.21Å; Q247-T263 PolarHBondContact O-N 2.83Å
248V93.9Very high92.6Very high32 Ų3260 Ų6019%0.19433%0.331CS..EExtended strand (participates in β ladder)trans-116.8130.8177.4175.30000109.1N261 C262 W274 C318 V331 M333V248-N261 WeakPolarHBondContact CA-O 3.18Å; V248-C262 HydrophobicContact CG2-CB 4.06Å; V248-W274 HydrophobicContact CG1-CH2 4.26Å; V248-C318 HydrophobicContact CG2-CB 3.6Å; V248-V331 HydrophobicContact CB-CG1 3.95Å; V248-V331 HydrophobicContact CG2-CB 3.74Å; V248-V331 HydrophobicContact CG2-CG1 3.55Å; V248-M333 HydrophobicContact CG1-CB 4.31Å; V248-M333 HydrophobicContact CG1-CG 3.9Å
249S91.5Very high92.3Very high64 Ų6461.8 Ų61.845%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-130.9157.3174.2630000109.6A260 N261S249-A260 CarbonylContact O-C 3.54Å; S249-A260 WeakPolarHBondContact O-CA 3.33Å; S249-N261 PolarHBondContact N-O 3.06Å; S249-N261 PolarHBondContact O-N 3.31Å; S249-N261 PolarHBondContact OG-O 2.83Å
250Y90.4Very high92.2Very high97 Ų9759.3 Ų59.338%0.3832%0.323SS..EExtended strand (participates in β ladder)trans-147.8153.617664.5-86.2000111.2I258 E259 M333 N334 T335Y250-I258 HydrophobicContact CD2-CG2 4.09Å; Y250-I258 HydrophobicContact CG-CG2 4.45Å; Y250-E259 CarbonylContact C-O 3.54Å; Y250-E259 WeakPolarHBondContact CA-O 3.39Å; Y250-M333 HydrophobicContact CD1-CE 3.9Å; Y250-M333 HydrophobicContact CD1-CG 3.46Å; Y250-M333 VanDerWaalsContact CD1-CG 3.46Å; Y250-M333 HydrophobicContact CD1-SD 4.07Å; Y250-M333 HydrophobicContact CD2-CE 4.01Å; Y250-M333 HydrophobicContact CE1-CG 4.09Å; Y250-M333 HydrophobicContact CG-CE 3.58Å; Y250-M333 HydrophobicContact CG-CG 4.06Å; Y250-M333 HydrophobicContact CG-SD 4.05Å; Y250-N334 PolarHBondContact OH-O 2.81Å; Y250-T335 HydrophobicContact CE1-CG2 4.26Å; Y250-T335 HydrophobicContact CE2-CG2 4.34Å; Y250-T335 WeakPolarHBondContact OH-CA 3.38Å
251K89.6Confident92.1Very high110 Ų11060.6 Ų60.648%0.47833%0.33SS..EExtended strand (participates in β ladder)trans-142151.2175.368.4-176.2-176.1-1590110.4I258 E259K251-I258 WeakPolarHBondContact O-CA 3.37Å; K251-E259 VanDerWaalsContact CE-CD 3.46Å; K251-E259 WeakPolarHBondContact CE-OE1 3.47Å; K251-E259 HydrophobicContact CG-CB 4.26Å; K251-E259 PolarHBondContact N-O 2.87Å; K251-E259 IonicContact NZ-OE1 2.83Å; K251-E259 PolarHBondContact NZ-OE1 3.19Å; K251-E259 IonicContact NZ-OE2 3.28Å; K251-E259 PolarHBondContact O-N 2.97Å
252T88.1Confident92.1Very high96 Ų9658.1 Ų58.159%0.58932%0.32SS*.EExtended strand (participates in β ladder)trans-84.8114.9171.5-54.60000108.5S254 V257T252-S254 VanDerWaalsContact CG2-O 3.3Å; T252-S254 WeakPolarHBondContact CG2-O 3.49Å; T252-V257 WeakPolarHBondContact CA-O 3.41Å
253T87.4Confident92.1Very high82 Ų8259 Ų5950%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-89.4-32.9-176.7-55.40000111.8V257T253-V257 PolarHBondContact N-O 2.8Å
254S87Confident92.1Very high55 Ų5556.3 Ų56.339%0.38531%0.311SS..EExtended strand (participates in β ladder)trans-150.9166.7173.465.90000109.8T252 G256 V257T252-S254 VanDerWaalsContact CG2-O 3.3Å; T252-S254 WeakPolarHBondContact CG2-O 3.49Å; S254-G256 PolarHBondContact O-N 2.76Å; S254-V257 PolarHBondContact O-N 2.87Å; S254-V257 WeakPolarHBondContact OG-CB 3.36Å; S254-V257 VanDerWaalsContact OG-CG2 3.31Å; S254-V257 WeakPolarHBondContact OG-CG2 3.44Å
255P85.2Confident92.1Very high132 Ų13258.7 Ų58.786%0.85733%0.325SS*.THydrogen-bonded Turntrans-53.9116.9178.3-25.735.1000111.1
256G85.1Confident92.3Very high33 Ų3350.2 Ų50.234%0.3429%0.289SS..THydrogen-bonded Turntrans86.30.2-179.500000116S254 Q307 S308S254-G256 PolarHBondContact O-N 2.76Å; G256-Q307 CarbonylContact O-C 3.54Å; G256-Q307 WeakPolarHBondContact O-CA 3.15Å; G256-S308 WeakPolarHBondContact CA-OG 3.37Å; G256-S308 PolarHBondContact O-N 2.9Å
257V91.1Very high92.3Very high32 Ų3252.4 Ų52.419%0.19430%0.295CS..EExtended strand (participates in β ladder)trans-122.2128.8-178.2-179.80000111.2T252 T253 S254 I283 T305T252-V257 WeakPolarHBondContact CA-O 3.41Å; T253-V257 PolarHBondContact N-O 2.8Å; S254-V257 PolarHBondContact O-N 2.87Å; S254-V257 WeakPolarHBondContact OG-CB 3.36Å; S254-V257 VanDerWaalsContact OG-CG2 3.31Å; S254-V257 WeakPolarHBondContact OG-CG2 3.44Å; V257-I283 HydrophobicContact CB-CD1 4.35Å; V257-I283 HydrophobicContact CG1-CD1 3.82Å; V257-I283 HydrophobicContact CG2-CD1 3.81Å; V257-T305 HydrophobicContact CG1-CG2 3.48Å; V257-T305 VanDerWaalsContact CG1-CG2 3.48Å
258I90.6Very high92.4Very high13 Ų1347.9 Ų47.97%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-120.9131.7-179.6-62.7175.3000109.3Y250 K251 T305 V306 L311 M333Y250-I258 HydrophobicContact CD2-CG2 4.09Å; Y250-I258 HydrophobicContact CG-CG2 4.45Å; K251-I258 WeakPolarHBondContact O-CA 3.37Å; I258-T305 CarbonylContact O-C 3.59Å; I258-T305 WeakPolarHBondContact O-CA 3.17Å; I258-V306 HydrophobicContact CB-CG2 4.11Å; I258-V306 PolarHBondContact N-O 2.6Å; I258-V306 PolarHBondContact O-N 3.38Å; I258-L311 HydrophobicContact CB-CD1 4.45Å; I258-L311 HydrophobicContact CD1-CD1 3.25Å; I258-L311 HydrophobicContact CD1-CG 4.37Å; I258-L311 HydrophobicContact CG1-CD1 4.41Å; I258-L311 HydrophobicContact CG2-CD1 4.14Å; I258-M333 HydrophobicContact CG2-CE 3.95Å
259E92.9Very high92.5Very high40 Ų4049.6 Ų49.619%0.18729%0.289CS..EExtended strand (participates in β ladder)trans-102.6119.3172.2-175.6-175.8105.700108.6Y250 K251 N261 T303Y250-E259 CarbonylContact C-O 3.54Å; Y250-E259 WeakPolarHBondContact CA-O 3.39Å; K251-E259 VanDerWaalsContact CE-CD 3.46Å; K251-E259 WeakPolarHBondContact CE-OE1 3.47Å; K251-E259 HydrophobicContact CG-CB 4.26Å; K251-E259 PolarHBondContact N-O 2.87Å; K251-E259 IonicContact NZ-OE1 2.83Å; K251-E259 PolarHBondContact NZ-OE1 3.19Å; K251-E259 IonicContact NZ-OE2 3.28Å; K251-E259 PolarHBondContact O-N 2.97Å; E259-N261 PolarHBondContact OE1-ND2 3.43Å; E259-T303 HydrophobicContact CG-CG2 3.49Å; E259-T303 VanDerWaalsContact CG-CG2 3.49Å
260A93.4Very high92.8Very high0 Ų046.7 Ų46.70%027%0.269CS..EExtended strand (participates in β ladder)trans-106.3126.817800000109.8S249 W274 T303 L304 M333S249-A260 CarbonylContact O-C 3.54Å; S249-A260 WeakPolarHBondContact O-CA 3.33Å; A260-W274 HydrophobicContact CB-CH2 3.6Å; A260-W274 HydrophobicContact CB-CZ2 4.24Å; A260-W274 HydrophobicContact CB-CZ3 4.03Å; A260-T303 CarbonylContact O-C 3.51Å; A260-T303 VanDerWaalsContact O-CA 3.3Å; A260-T303 WeakPolarHBondContact O-CA 3.35Å; A260-L304 PolarHBondContact N-O 3.18Å; A260-L304 PolarHBondContact O-N 3.26Å; A260-M333 HydrophobicContact CB-CE 4.41Å; A260-M333 HydrophobicContact CB-SD 3.37Å; A260-M333 WeakPolarHBondContact CB-SD 3.21Å
261N95.3Very high93.1Very high29 Ų2948.2 Ų48.216%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-115.9120.9180-68.7-33.7000109.5V248 S249 E259 T303V248-N261 WeakPolarHBondContact CA-O 3.18Å; S249-N261 PolarHBondContact N-O 3.06Å; S249-N261 PolarHBondContact O-N 3.31Å; S249-N261 PolarHBondContact OG-O 2.83Å; E259-N261 PolarHBondContact OE1-ND2 3.43Å; N261-T303 VanDerWaalsContact OD1-CB 3.28Å; N261-T303 WeakPolarHBondContact OD1-CB 3.43Å; N261-T303 WeakPolarHBondContact OD1-CG2 3.24Å; N261-T303 PolarHBondContact OD1-OG1 2.86Å
262C96.8Very high93.5Very high0 Ų043.7 Ų43.70%026%0.26CS..EExtended strand (participates in β ladder)trans-106.3121.7170.5-170.90000109.3Q247 V248 I272 W274 I301 S302 C318Q247-C262 CarbonylContact O-C 3.55Å; Q247-C262 WeakPolarHBondContact O-CA 3.25Å; V248-C262 HydrophobicContact CG2-CB 4.06Å; C262-I272 HydrophobicContact CB-CG2 4.21Å; C262-W274 HydrophobicContact CB-CH2 3.85Å; C262-W274 HydrophobicContact CB-CZ2 3.52Å; C262-I301 WeakPolarHBondContact O-CA 3.36Å; C262-S302 PolarHBondContact N-O 2.87Å; C262-S302 PolarHBondContact O-N 3.28Å; C262-C318 HydrophobicContact CB-CB 3.66Å; C262-C318 WeakPolarHBondContact CB-SG 3.47Å; C262-C318 WeakPolarHBondContact SG-CB 3.39Å; C262-C318 CovalentContact SG-SG 2.03Å; C262-C318 PolarHBondContact SG-SG 3.19Å
263T97.3Very high93.9Very high46 Ų4642 Ų4228%0.28225%0.25SC..EExtended strand (participates in β ladder)trans-114.1140-179.661.80000110.2P246 Q247 V300 I301P246-T263 CarbonylContact C-O 3.53Å; P246-T263 WeakPolarHBondContact CA-O 3.37Å; Q247-T263 PolarHBondContact N-O 3.21Å; Q247-T263 PolarHBondContact O-N 2.83Å; T263-V300 CarbonylContact C-O 3.54Å; T263-V300 WeakPolarHBondContact CA-O 3.36Å; T263-I301 HydrophobicContact CG2-CB 4.48Å; T263-I301 HydrophobicContact CG2-CG1 4.04Å; T263-I301 HydrophobicContact CG2-CG2 4.13Å
264S97.3Very high94.2Very high1 Ų139.3 Ų39.31%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-149.1127.4177.7-179.80000111P244 V300P244-S264 WeakPolarHBondContact CB-OG 3.44Å; S264-V300 PolarHBondContact N-O 3.1Å; S264-V300 PolarHBondContact O-N 2.67Å
265V97.1Very high94.4Very high54 Ų5439.5 Ų39.533%0.32723%0.227SC..EExtended strand (participates in β ladder)trans-99.7126.1172.9177.80000108.9P244 T297 L299P244-V265 WeakPolarHBondContact CA-O 3.44Å; V265-T297 HydrophobicContact CG1-CG2 4.33Å; V265-T297 WeakPolarHBondContact CG1-OG1 3.37Å; V265-L299 HydrophobicContact CG2-CB 4.26Å; V265-L299 HydrophobicContact CG2-CD1 3.71Å
266S97.4Very high94.7Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-158.8164.5-176.5480000113.1V242 P268 A270 T298V242-S266 WeakPolarHBondContact O-CA 3.17Å; V242-S266 WeakPolarHBondContact O-CB 3.09Å; S266-P268 CarbonylContact C-O 3.58Å; S266-P268 PolarHBondContact OG-O 2.9Å; S266-A270 VanDerWaalsContact OG-CB 3.29Å; S266-A270 WeakPolarHBondContact OG-CB 3.43Å; S266-A270 PolarHBondContact OG-N 3.11Å; S266-T298 PolarHBondContact N-O 2.78Å; S266-T298 VanDerWaalsContact N-O 3.11Å; S266-T298 PolarHBondContact O-N 2.83Å
267R96.3Very high94.7Very high57 Ų5737.4 Ų37.422%0.21520%0.198CC..BIsolated β-bridgetrans-142.4122.8171.1-175.3-177.8176.3136.4-9.2108.8E217 Y241 V242 G296 T297 H322E217-R267 IonicContact OE1-CZ 3.24Å; E217-R267 IonicContact OE1-NH2 3.89Å; E217-R267 PolarHBondContact OE1-NH2 2.88Å; E217-R267 IonicContact OE2-CZ 3.03Å; E217-R267 IonicContact OE2-NE 3.83Å; E217-R267 IonicContact OE2-NH2 3.4Å; E217-R267 PolarHBondContact OE2-NH2 2.8Å; E217-R267 VanDerWaalsContact OE2-NH2 3.09Å; Y241-R267 CarbonylContact C-O 3.56Å; Y241-R267 WeakPolarHBondContact CA-O 3.5Å; V242-R267 HydrophobicContact CB-CB 3.91Å; V242-R267 HydrophobicContact CG2-CB 3.98Å; V242-R267 PolarHBondContact N-O 3.33Å; V242-R267 PolarHBondContact O-N 2.93Å; R267-G296 WeakPolarHBondContact CD-O 3.25Å; R267-G296 PolarHBondContact NH1-O 3.34Å; R267-T297 HydrophobicContact CB-CG2 4.42Å; R267-H322 PolarHBondContact O-NE2 3.1Å; R267-H322 VanDerWaalsContact O-NE2 3.16Å
268P96.1Very high93.9Very high33 Ų3342.8 Ų42.821%0.21423%0.232CC..SBendcis-58.7168.9-12.128.9-36.9000111.9Y241 S266 A270 H322 K323Y241-P268 VanDerWaalsContact CE1-CD 3.43Å; Y241-P268 HydrophobicContact CE1-CG 4.17Å; S266-P268 CarbonylContact C-O 3.58Å; S266-P268 PolarHBondContact OG-O 2.9Å; P268-A270 PolarHBondContact O-N 3.06Å; P268-H322 WeakPolarHBondContact CD-NE2 3.49Å; P268-H322 PolarHBondContact O-CD2 2.96Å; P268-H322 PolarHBondContact O-NE2 3.1Å; P268-K323 HydrophobicContact CG-CB 4.41Å; P268-K323 HydrophobicContact CG-CD 4.12Å; P268-K323 HydrophobicContact CG-CG 4.32Å
269P96.7Very high93.3Very high67 Ų6743.9 Ų43.944%0.43524%0.237SC..PPolyproline II helixtrans-53.3131.4177.1-20.828.9000111.6T298 V300P269-T298 HydrophobicContact CB-CG2 4.03Å; P269-T298 HydrophobicContact CG-CG2 3.93Å; P269-V300 HydrophobicContact CB-CG2 4.16Å
270A97.2Very high92.6Very high3 Ų348.8 Ų48.83%0.02527%0.265CS..PPolyproline II helixtrans-75.1155.1173.700000111.8P244 S266 P268 V320 H321 H322P244-A270 HydrophobicContact CB-CB 4.33Å; S266-A270 VanDerWaalsContact OG-CB 3.29Å; S266-A270 WeakPolarHBondContact OG-CB 3.43Å; S266-A270 PolarHBondContact OG-N 3.11Å; P268-A270 PolarHBondContact O-N 3.06Å; A270-V320 HydrophobicContact CB-CG1 3.61Å; A270-H321 CarbonylContact C-O 3.53Å; A270-H321 VanDerWaalsContact CA-O 3.31Å; A270-H321 WeakPolarHBondContact CA-O 3.48Å; A270-H321 WeakPolarHBondContact CB-O 3.46Å; A270-H322 HydrophobicContact CB-CB 4.29Å
271E97.3Very high92.2Very high129 Ų12951.3 Ų51.360%0.60327%0.274SS*.EExtended strand (participates in β ladder)trans-98.4130.4172.4178.4179.4-170.300109.3V273 V320 H321E271-V273 HydrophobicContact CG-CG2 4.34Å; E271-V320 CarbonylContact O-C 3.57Å; E271-V320 WeakPolarHBondContact O-CA 3.43Å; E271-H321 HydrophobicContact CB-CB 4.23Å; E271-H321 PolarHBondContact N-O 3.42Å; E271-H321 PolarHBondContact O-N 3.39Å
272I97.6Very high91.9Very high16 Ų1652.2 Ų52.28%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-110.4125-178.9-60.1-178.5000109.3C262 V300 S302 C318 L319 V320C262-I272 HydrophobicContact CB-CG2 4.21Å; I272-V300 HydrophobicContact CD1-CB 4.08Å; I272-V300 HydrophobicContact CD1-CG1 3.76Å; I272-V300 HydrophobicContact CG1-CG1 4.09Å; I272-S302 VanDerWaalsContact CG2-CB 3.49Å; I272-C318 WeakPolarHBondContact CG2-SG 3.19Å; I272-L319 WeakPolarHBondContact CA-O 2.98Å; I272-V320 HydrophobicContact CG1-CG2 4.11Å
273V96.1Very high91.6Very high60 Ų6056 Ų5636%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-124.9135.2177.2-178.60000109.3E271 L319E271-V273 HydrophobicContact CG-CG2 4.34Å; V273-L319 HydrophobicContact CB-CB 4.42Å; V273-L319 PolarHBondContact N-O 2.69Å; V273-L319 WeakPolarHBondContact O-CA 3.13Å; V273-L319 WeakPolarHBondContact O-CB 2.92Å; V273-L319 PolarHBondContact O-N 2.01Å
274W94.7Very high91.2Very high25 Ų2555.7 Ų55.710%0.09531%0.307CS..EExtended strand (participates in β ladder)trans-93.4129174.6-69.390.2000110.8V248 A260 C262 P286 S302 L304 V316 C318V248-W274 HydrophobicContact CG1-CH2 4.26Å; A260-W274 HydrophobicContact CB-CH2 3.6Å; A260-W274 HydrophobicContact CB-CZ2 4.24Å; A260-W274 HydrophobicContact CB-CZ3 4.03Å; C262-W274 HydrophobicContact CB-CH2 3.85Å; C262-W274 HydrophobicContact CB-CZ2 3.52Å; W274-P286 HydrophobicContact CG-CG 4.44Å; W274-S302 WeakPolarHBondContact CZ2-O 3.45Å; W274-S302 PolarHBondContact NE1-OG 2.86Å; W274-S302 VanDerWaalsContact NE1-OG 3.1Å; W274-L304 HydrophobicContact CB-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CB 3.8Å; W274-L304 HydrophobicContact CD2-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CG 4.45Å; W274-L304 HydrophobicContact CE3-CB 4.42Å; W274-L304 HydrophobicContact CE3-CD2 3.98Å; W274-L304 HydrophobicContact CG-CB 3.95Å; W274-L304 HydrophobicContact CG-CD2 3.81Å; W274-L304 HydrophobicContact CG-CG 4.39Å; W274-L304 HydrophobicContact CZ2-CB 4.15Å; W274-V316 HydrophobicContact CE3-CG1 3.61Å; W274-V316 HydrophobicContact CZ3-CG1 3.8Å; W274-C318 HydrophobicContact CE3-CB 4.29Å; W274-C318 HydrophobicContact CH2-CB 4.35Å; W274-C318 HydrophobicContact CZ3-CB 4.13Å
275N92.1Very high90.9Very high59 Ų5960.9 Ų60.932%0.31634%0.341SS..EExtended strand (participates in β ladder)trans-103.6119.8170.3-179.627.7000110E277 K317 L319N275-E277 PolarHBondContact OD1-N 2.93Å; N275-K317 HydrophobicContact CB-CB 4.4Å; N275-K317 PolarHBondContact N-O 2.96Å; N275-K317 PolarHBondContact O-N 2.82Å; N275-L319 HydrophobicContact CB-CD1 3.97Å; N275-L319 HydrophobicContact CB-CG 4.24Å
276V90.1Very high90.8Very high21 Ų2161.2 Ų61.213%0.12734%0.344CS..  trans-122.225179.6-62.40000112.3T278 D279 T282 L304 L310 V316V276-T278 PolarHBondContact O-N 2.88Å; V276-D279 VanDerWaalsContact O-CB 3.32Å; V276-D279 WeakPolarHBondContact O-CB 3.29Å; V276-D279 PolarHBondContact O-N 3.05Å; V276-T282 HydrophobicContact CG1-CG2 4.21Å; V276-T282 HydrophobicContact CG2-CG2 4.08Å; V276-L304 HydrophobicContact CG1-CD2 3.89Å; V276-L310 HydrophobicContact CG1-CD2 4.36Å; V276-V316 HydrophobicContact CG1-CG1 4.12Å; V276-V316 HydrophobicContact CG1-CG2 4.16Å
277E84.6Confident90.7Very high100 Ų10065.7 Ų65.747%0.46737%0.371SS..THydrogen-bonded Turntrans50.935.9176.4-59.7-179.4173.600113.8N275 D279 V314N275-E277 PolarHBondContact OD1-N 2.93Å; E277-D279 VanDerWaalsContact C-N 3.27Å; E277-D279 PolarHBondContact O-N 2.98Å; E277-V314 HydrophobicContact CB-CG1 3.91Å; E277-V314 HydrophobicContact CG-CG1 4.03Å
278T74.4Confident90.7Very high146 Ų14665.7 Ų65.790%0.89638%0.377SS*.THydrogen-bonded Turntrans66.815.4-179.166.10000116.3V276V276-T278 PolarHBondContact O-N 2.88Å
279D78.9Confident90.8Very high35 Ų3567.6 Ų67.619%0.18739%0.388CS..  trans-73141.3176.3-161.9-64.8000112.2V276 E277 R281 L310 V314V276-D279 VanDerWaalsContact O-CB 3.32Å; V276-D279 WeakPolarHBondContact O-CB 3.29Å; V276-D279 PolarHBondContact O-N 3.05Å; E277-D279 VanDerWaalsContact C-N 3.27Å; E277-D279 PolarHBondContact O-N 2.98Å; D279-R281 WeakPolarHBondContact OD1-CB 3.36Å; D279-R281 WeakPolarHBondContact OD1-CG 3.33Å; D279-R281 IonicContact OD1-CZ 2.83Å; D279-R281 PolarHBondContact OD1-N 2.75Å; D279-R281 IonicContact OD1-NE 2.92Å; D279-R281 PolarHBondContact OD1-NE 3.15Å; D279-R281 IonicContact OD2-CZ 2.64Å; D279-R281 VanDerWaalsContact OD2-CZ 3.24Å; D279-R281 IonicContact OD2-NE 3.58Å; D279-R281 PolarHBondContact OD2-NE 2.8Å; D279-R281 IonicContact OD2-NH2 2.68Å; D279-R281 PolarHBondContact OD2-NH2 2.88Å; D279-L310 HydrophobicContact CB-CD1 3.45Å; D279-L310 VanDerWaalsContact CB-CD1 3.45Å; D279-L310 WeakPolarHBondContact OD1-CD1 3.14Å; D279-L310 WeakPolarHBondContact OD2-CD1 3.44Å; D279-V314 HydrophobicContact CB-CG2 4.24Å
280N78Confident90.8Very high144 Ų14469.6 Ų69.677%0.7739%0.391SS*.SBendtrans-94.75.9-176.365.6-1.1000114T282N280-T282 PolarHBondContact O-N 3.46Å; N280-T282 VanDerWaalsContact O-N 3.15Å
281R84.3Confident90.8Very high52 Ų5273.5 Ų73.520%0.19641%0.411CS..  trans-8121.6179.8-65176.5-72.7177.7-2113.9D279 Q307 G309 L310 D313D279-R281 WeakPolarHBondContact OD1-CB 3.36Å; D279-R281 WeakPolarHBondContact OD1-CG 3.33Å; D279-R281 IonicContact OD1-CZ 2.83Å; D279-R281 PolarHBondContact OD1-N 2.75Å; D279-R281 IonicContact OD1-NE 2.92Å; D279-R281 PolarHBondContact OD1-NE 3.15Å; D279-R281 IonicContact OD2-CZ 2.64Å; D279-R281 VanDerWaalsContact OD2-CZ 3.24Å; D279-R281 IonicContact OD2-NE 3.58Å; D279-R281 PolarHBondContact OD2-NE 2.8Å; D279-R281 IonicContact OD2-NH2 2.68Å; D279-R281 PolarHBondContact OD2-NH2 2.88Å; R281-Q307 HydrophobicContact CB-CB 4.25Å; R281-Q307 HydrophobicContact CB-CG 4.47Å; R281-Q307 PolarHBondContact O-N 2.84Å; R281-G309 VanDerWaalsContact NH1-C 3.34Å; R281-G309 PolarHBondContact NH1-O 2.77Å; R281-L310 HydrophobicContact CB-CB 4.23Å; R281-L310 HydrophobicContact CB-CD1 4.35Å; R281-D313 IonicContact CZ-OD2 3.53Å; R281-D313 IonicContact NH1-OD2 2.78Å; R281-D313 PolarHBondContact NH1-OD2 2.87Å; R281-D313 IonicContact NH2-OD2 3.07Å; R281-D313 PolarHBondContact NH2-OD2 2.88Å; R281-D313 VanDerWaalsContact NH2-OD2 3.07Å
282T89.8Confident90.8Very high48 Ų4878.3 Ų78.329%0.29442%0.424SS..BIsolated β-bridgetrans-82.2132.516956.50000110.5V276 N280 G284 L304 V306V276-T282 HydrophobicContact CG1-CG2 4.21Å; V276-T282 HydrophobicContact CG2-CG2 4.08Å; N280-T282 PolarHBondContact O-N 3.46Å; N280-T282 VanDerWaalsContact O-N 3.15Å; T282-G284 PolarHBondContact O-N 3.18Å; T282-L304 HydrophobicContact CG2-CD1 4.07Å; T282-V306 HydrophobicContact CG2-CG1 4.24Å
283I90Very high90.6Very high79 Ų7981.1 Ų81.141%0.40544%0.437SS..SBendtrans-92.180.9177.1-58.3168.7000107.5V257 T305 Q307V257-I283 HydrophobicContact CB-CD1 4.35Å; V257-I283 HydrophobicContact CG1-CD1 3.82Å; V257-I283 HydrophobicContact CG2-CD1 3.81Å; I283-T305 HydrophobicContact CB-CG2 3.92Å; I283-T305 HydrophobicContact CD1-CG2 4.09Å; I283-T305 HydrophobicContact CG2-CG2 4.38Å; I283-T305 PolarHBondContact N-O 3.24Å; I283-Q307 HydrophobicContact CD1-CG 4.08Å; I283-Q307 HydrophobicContact CG1-CG 4.22Å
284G88.8Confident90.4Very high40 Ų4086.9 Ų86.941%0.41247%0.465SS..SBendtrans83.5175.2-178.200000114.6T282T282-G284 PolarHBondContact O-N 3.18Å
285P91.2Very high90.2Very high111 Ų11189.7 Ų89.772%0.72148%0.482SS*.SBendtrans-72.1156.4177.231-34.7000111.6
286P94.6Very high90.2Very high60 Ų6088.4 Ų88.439%0.3948%0.483SS..  trans-59.3141.4171.2-1423.3000112W274 T303 L304W274-P286 HydrophobicContact CG-CG 4.44Å; P286-T303 CarbonylContact C-O 3.59Å; P286-T303 VanDerWaalsContact CA-O 3.26Å; P286-T303 WeakPolarHBondContact CA-O 3.44Å; P286-L304 HydrophobicContact CG-CD1 4.05Å
287V96Very high90.4Very high95 Ų9587.6 Ų87.658%0.57648%0.478SS*.EExtended strand (participates in β ladder)trans-104.5123.4174.1-179.10000108.6S302 T303V287-S302 CarbonylContact O-C 3.46Å; V287-S302 WeakPolarHBondContact O-CA 3.5Å; V287-T303 PolarHBondContact N-O 2.83Å; V287-T303 PolarHBondContact O-N 3.25Å
288T97.1Very high91.1Very high57 Ų5783.6 Ų83.635%0.3546%0.46SS..EExtended strand (participates in β ladder)trans-115.6132.6-178-57.90000111.1V300 I301 S302T288-V300 HydrophobicContact CG2-CG1 3.63Å; T288-I301 CarbonylContact C-O 3.57Å; T288-I301 VanDerWaalsContact CA-O 3.3Å; T288-I301 WeakPolarHBondContact CA-O 3.49Å; T288-S302 PolarHBondContact OG1-OG 2.84Å; T288-S302 VanDerWaalsContact OG1-OG 3.12Å
289V97.1Very high92.2Very high72 Ų7278.4 Ų78.444%0.43643%0.427SS..EExtended strand (participates in β ladder)trans-120.6138.2178.1-177.40000109.3L291 V300 I301V289-L291 HydrophobicContact CG1-CD2 4.14Å; V289-L291 HydrophobicContact CG1-CG 4.14Å; V289-V300 WeakPolarHBondContact O-CA 3.48Å; V289-I301 PolarHBondContact N-O 3.31Å; V289-I301 PolarHBondContact O-N 2.66Å
290H97.5Very high93.1Very high110 Ų11076.8 Ų76.851%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-114.4120.9176.7-61.8-95000109.9T298H290-T298 HydrophobicContact CB-CG2 4.16Å
291L96.9Very high94Very high84 Ų8472 Ų7244%0.4439%0.392SS..EExtended strand (participates in β ladder)trans-118117.2179.3-61.6171.2000108.8V289 T298 L299 I301V289-L291 HydrophobicContact CG1-CD2 4.14Å; V289-L291 HydrophobicContact CG1-CG 4.14Å; L291-T298 WeakPolarHBondContact O-CA 3.37Å; L291-L299 HydrophobicContact CB-CB 4.32Å; L291-L299 HydrophobicContact CD1-CD2 4.26Å; L291-L299 PolarHBondContact N-O 2.71Å; L291-L299 PolarHBondContact O-N 3.44Å; L291-I301 HydrophobicContact CD1-CD1 4.17Å
292R96.3Very high94.6Very high231 Ų23169.5 Ų69.587%0.87238%0.383SS*.EExtended strand (participates in β ladder)trans-72.5138.9174.5-69.5-174.8172.4101.3-0.8109.6
293Q95.1Very high94.9Very high75 Ų7568.9 Ų68.935%0.3538%0.379SS..  trans-107.7156.4177.2-57.6-163.6-96.800110.6D295 G296 T297 L299Q293-D295 WeakPolarHBondContact CB-OD1 3.28Å; Q293-D295 PolarHBondContact O-N 3.23Å; Q293-G296 PolarHBondContact O-N 3.37Å; Q293-T297 PolarHBondContact N-O 2.88Å; Q293-T297 PolarHBondContact OE1-OG1 2.97Å; Q293-T297 VanDerWaalsContact OE1-OG1 3.1Å; Q293-L299 HydrophobicContact CG-CB 4.32Å
294D92Very high95.2Very high180 Ų18065.3 Ų65.396%0.96336%0.361SS*.THydrogen-bonded Turntrans-66.5-24.8-176.7-60.3-30.3000112.9G296D294-G296 PolarHBondContact O-N 3.29Å
295D90.3Very high95.4Very high84 Ų8465.2 Ų65.245%0.44935%0.352SS..THydrogen-bonded Turntrans-75.91.5174.669.2-1.1000113.5I214 Q293 T297I214-D295 WeakPolarHBondContact CD1-O 3.33Å; Q293-D295 WeakPolarHBondContact CB-OD1 3.28Å; Q293-D295 PolarHBondContact O-N 3.23Å; D295-T297 VanDerWaalsContact C-N 3.32Å; D295-T297 WeakPolarHBondContact OD1-CB 3.27Å; D295-T297 PolarHBondContact OD1-N 2.97Å; D295-T297 PolarHBondContact OD1-OG1 3.47Å; D295-T297 PolarHBondContact OD2-OG1 2.88Å
296G90.4Very high95.5Very high32 Ų3260 Ų6033%0.3332%0.318SS..SBendtrans79.410.2-179.400000114.3R267 Q293 D294R267-G296 WeakPolarHBondContact CD-O 3.25Å; R267-G296 PolarHBondContact NH1-O 3.34Å; Q293-G296 PolarHBondContact O-N 3.37Å; D294-G296 PolarHBondContact O-N 3.29Å
297T96.3Very high95.3Very high4 Ų461.8 Ų61.83%0.02532%0.321CS..  trans-88.8172.6167.268.40000111.2I214 V242 V265 R267 Q293 D295I214-T297 HydrophobicContact CD1-CG2 3.87Å; V242-T297 HydrophobicContact CB-CG2 4.25Å; V242-T297 HydrophobicContact CG1-CG2 4.23Å; V242-T297 HydrophobicContact CG2-CG2 4.02Å; V265-T297 HydrophobicContact CG1-CG2 4.33Å; V265-T297 WeakPolarHBondContact CG1-OG1 3.37Å; R267-T297 HydrophobicContact CB-CG2 4.42Å; Q293-T297 PolarHBondContact N-O 2.88Å; Q293-T297 PolarHBondContact OE1-OG1 2.97Å; Q293-T297 VanDerWaalsContact OE1-OG1 3.1Å; D295-T297 VanDerWaalsContact C-N 3.32Å; D295-T297 WeakPolarHBondContact OD1-CB 3.27Å; D295-T297 PolarHBondContact OD1-N 2.97Å; D295-T297 PolarHBondContact OD1-OG1 3.47Å; D295-T297 PolarHBondContact OD2-OG1 2.88Å
298T97.3Very high94.7Very high16 Ų1659.6 Ų59.610%0.09831%0.311CS..EExtended strand (participates in β ladder)trans-127125.6173.8-59.90000109.6S266 P269 H290 L291 V300S266-T298 PolarHBondContact N-O 2.78Å; S266-T298 VanDerWaalsContact N-O 3.11Å; S266-T298 PolarHBondContact O-N 2.83Å; P269-T298 HydrophobicContact CB-CG2 4.03Å; P269-T298 HydrophobicContact CG-CG2 3.93Å; H290-T298 HydrophobicContact CB-CG2 4.16Å; L291-T298 WeakPolarHBondContact O-CA 3.37Å; T298-V300 HydrophobicContact CG2-CG2 4.2Å
299L97.5Very high93.8Very high38 Ų3858.1 Ų58.120%0.19931%0.306CS..EExtended strand (participates in β ladder)trans-81.7118.5168.6172.862.6000108.4V265 L291 Q293 I301V265-L299 HydrophobicContact CG2-CB 4.26Å; V265-L299 HydrophobicContact CG2-CD1 3.71Å; L291-L299 HydrophobicContact CB-CB 4.32Å; L291-L299 HydrophobicContact CD1-CD2 4.26Å; L291-L299 PolarHBondContact N-O 2.71Å; L291-L299 PolarHBondContact O-N 3.44Å; Q293-L299 HydrophobicContact CG-CB 4.32Å; L299-I301 HydrophobicContact CD1-CG1 4.24Å; L299-I301 HydrophobicContact CD2-CD1 4.07Å; L299-I301 HydrophobicContact CD2-CG1 4.31Å; L299-I301 HydrophobicContact CG-CD1 4.29Å; L299-I301 HydrophobicContact CG-CG1 3.97Å
300V97.9Very high93.1Very high0 Ų054.7 Ų54.70%029%0.285CS..EExtended strand (participates in β ladder)trans-106.1125.8174.5-172.20000108T263 S264 P269 I272 T288 V289 T298T263-V300 CarbonylContact C-O 3.54Å; T263-V300 WeakPolarHBondContact CA-O 3.36Å; S264-V300 PolarHBondContact N-O 3.1Å; S264-V300 PolarHBondContact O-N 2.67Å; P269-V300 HydrophobicContact CB-CG2 4.16Å; I272-V300 HydrophobicContact CD1-CB 4.08Å; I272-V300 HydrophobicContact CD1-CG1 3.76Å; I272-V300 HydrophobicContact CG1-CG1 4.09Å; T288-V300 HydrophobicContact CG2-CG1 3.63Å; V289-V300 WeakPolarHBondContact O-CA 3.48Å; T298-V300 HydrophobicContact CG2-CG2 4.2Å
301I97.5Very high92.2Very high44 Ų4450.4 Ų50.423%0.22627%0.266CS..EExtended strand (participates in β ladder)trans-119.7119.6177.4-52.9179.9000107.1C262 T263 T288 V289 L291 L299C262-I301 WeakPolarHBondContact O-CA 3.36Å; T263-I301 HydrophobicContact CG2-CB 4.48Å; T263-I301 HydrophobicContact CG2-CG1 4.04Å; T263-I301 HydrophobicContact CG2-CG2 4.13Å; T288-I301 CarbonylContact C-O 3.57Å; T288-I301 VanDerWaalsContact CA-O 3.3Å; T288-I301 WeakPolarHBondContact CA-O 3.49Å; V289-I301 PolarHBondContact N-O 3.31Å; V289-I301 PolarHBondContact O-N 2.66Å; L291-I301 HydrophobicContact CD1-CD1 4.17Å; L299-I301 HydrophobicContact CD1-CG1 4.24Å; L299-I301 HydrophobicContact CD2-CD1 4.07Å; L299-I301 HydrophobicContact CD2-CG1 4.31Å; L299-I301 HydrophobicContact CG-CD1 4.29Å; L299-I301 HydrophobicContact CG-CG1 3.97Å
302S97.6Very high91.1Very high0 Ų054.8 Ų54.80%028%0.282CS..EExtended strand (participates in β ladder)trans-114.1125.9172.2-170.70000109.9C262 I272 W274 V287 T288C262-S302 PolarHBondContact N-O 2.87Å; C262-S302 PolarHBondContact O-N 3.28Å; I272-S302 VanDerWaalsContact CG2-CB 3.49Å; W274-S302 WeakPolarHBondContact CZ2-O 3.45Å; W274-S302 PolarHBondContact NE1-OG 2.86Å; W274-S302 VanDerWaalsContact NE1-OG 3.1Å; V287-S302 CarbonylContact O-C 3.46Å; V287-S302 WeakPolarHBondContact O-CA 3.5Å; T288-S302 PolarHBondContact OG1-OG 2.84Å; T288-S302 VanDerWaalsContact OG1-OG 3.12Å
303T96.5Very high90Very high34 Ų3449.1 Ų49.121%0.20927%0.269CS..EExtended strand (participates in β ladder)trans-110.4124.4-178.7-60.50000109.6E259 A260 N261 P286 V287E259-T303 HydrophobicContact CG-CG2 3.49Å; E259-T303 VanDerWaalsContact CG-CG2 3.49Å; A260-T303 CarbonylContact O-C 3.51Å; A260-T303 VanDerWaalsContact O-CA 3.3Å; A260-T303 WeakPolarHBondContact O-CA 3.35Å; N261-T303 VanDerWaalsContact OD1-CB 3.28Å; N261-T303 WeakPolarHBondContact OD1-CB 3.43Å; N261-T303 WeakPolarHBondContact OD1-CG2 3.24Å; N261-T303 PolarHBondContact OD1-OG1 2.86Å; P286-T303 CarbonylContact C-O 3.59Å; P286-T303 VanDerWaalsContact CA-O 3.26Å; P286-T303 WeakPolarHBondContact CA-O 3.44Å; V287-T303 PolarHBondContact N-O 2.83Å; V287-T303 PolarHBondContact O-N 3.25Å
304L95.2Very high89.3Confident4 Ų446.5 Ų46.52%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-117.8129.4173.2176.269.7000109.5A260 W274 V276 T282 P286 V306 V316A260-L304 PolarHBondContact N-O 3.18Å; A260-L304 PolarHBondContact O-N 3.26Å; W274-L304 HydrophobicContact CB-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CB 3.8Å; W274-L304 HydrophobicContact CD2-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CG 4.45Å; W274-L304 HydrophobicContact CE3-CB 4.42Å; W274-L304 HydrophobicContact CE3-CD2 3.98Å; W274-L304 HydrophobicContact CG-CB 3.95Å; W274-L304 HydrophobicContact CG-CD2 3.81Å; W274-L304 HydrophobicContact CG-CG 4.39Å; W274-L304 HydrophobicContact CZ2-CB 4.15Å; V276-L304 HydrophobicContact CG1-CD2 3.89Å; T282-L304 HydrophobicContact CG2-CD1 4.07Å; P286-L304 HydrophobicContact CG-CD1 4.05Å; L304-V306 HydrophobicContact CD1-CG1 4.43Å; L304-V306 HydrophobicContact CD2-CG1 3.69Å; L304-V306 HydrophobicContact CG-CG1 3.72Å; L304-V316 HydrophobicContact CD2-CG1 4.26Å
305T93.9Very high88.9Confident38 Ų3840.2 Ų40.223%0.23323%0.228CC..EExtended strand (participates in β ladder)trans-100.4132173.6-49.20000109.8V257 I258 I283V257-T305 HydrophobicContact CG1-CG2 3.48Å; V257-T305 VanDerWaalsContact CG1-CG2 3.48Å; I258-T305 CarbonylContact O-C 3.59Å; I258-T305 WeakPolarHBondContact O-CA 3.17Å; I283-T305 HydrophobicContact CB-CG2 3.92Å; I283-T305 HydrophobicContact CD1-CG2 4.09Å; I283-T305 HydrophobicContact CG2-CG2 4.38Å; I283-T305 PolarHBondContact N-O 3.24Å
306V92.1Very high88.9Confident1 Ų136.3 Ų36.31%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-137.9157.6-177.4-56.70000111.6I258 T282 L304 L310I258-V306 HydrophobicContact CB-CG2 4.11Å; I258-V306 PolarHBondContact N-O 2.6Å; I258-V306 PolarHBondContact O-N 3.38Å; T282-V306 HydrophobicContact CG2-CG1 4.24Å; L304-V306 HydrophobicContact CD1-CG1 4.43Å; L304-V306 HydrophobicContact CD2-CG1 3.69Å; L304-V306 HydrophobicContact CG-CG1 3.72Å; V306-L310 HydrophobicContact CB-CD2 3.67Å; V306-L310 HydrophobicContact CG1-CD2 3.63Å; V306-L310 HydrophobicContact CG2-CD2 4.22Å
307Q90.3Very high89Confident98 Ų9837.9 Ų37.946%0.45821%0.205SC..EExtended strand (participates in β ladder)trans-73.8142.9168.6-61.7-179.5-4.300110.7G256 R281 I283 G309 L310G256-Q307 CarbonylContact O-C 3.54Å; G256-Q307 WeakPolarHBondContact O-CA 3.15Å; R281-Q307 HydrophobicContact CB-CB 4.25Å; R281-Q307 HydrophobicContact CB-CG 4.47Å; R281-Q307 PolarHBondContact O-N 2.84Å; I283-Q307 HydrophobicContact CD1-CG 4.08Å; I283-Q307 HydrophobicContact CG1-CG 4.22Å; Q307-G309 PolarHBondContact O-N 3.27Å; Q307-G309 VanDerWaalsContact O-N 3.14Å; Q307-L310 WeakPolarHBondContact O-CB 3.47Å; Q307-L310 PolarHBondContact O-N 3.42Å
308S83.9Confident88.9Confident50 Ų5037.7 Ų37.735%0.3520%0.204SC..THydrogen-bonded Turntrans-61.8-25.9-176.166.80000114.2G256 L310G256-S308 WeakPolarHBondContact CA-OG 3.37Å; G256-S308 PolarHBondContact O-N 2.9Å; S308-L310 PolarHBondContact O-N 3.34Å
309G79.1Confident88.9Confident25 Ų2538.7 Ų38.726%0.25821%0.209SC..THydrogen-bonded Turntrans-60.8-32.2173.800000113.2R281 Q307 L311 K312R281-G309 VanDerWaalsContact NH1-C 3.34Å; R281-G309 PolarHBondContact NH1-O 2.77Å; Q307-G309 PolarHBondContact O-N 3.27Å; Q307-G309 VanDerWaalsContact O-N 3.14Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.17Å; G309-K312 PolarHBondContact O-N 3.12Å
310L82Confident88.9Confident0 Ų036.9 Ų36.90%020%0.199CC..Hα-helixtrans-56.6-42.2-178.2-179.165.5000112.3V276 D279 R281 V306 Q307 S308 K312 D313 V314 V316V276-L310 HydrophobicContact CG1-CD2 4.36Å; D279-L310 HydrophobicContact CB-CD1 3.45Å; D279-L310 VanDerWaalsContact CB-CD1 3.45Å; D279-L310 WeakPolarHBondContact OD1-CD1 3.14Å; D279-L310 WeakPolarHBondContact OD2-CD1 3.44Å; R281-L310 HydrophobicContact CB-CB 4.23Å; R281-L310 HydrophobicContact CB-CD1 4.35Å; V306-L310 HydrophobicContact CB-CD2 3.67Å; V306-L310 HydrophobicContact CG1-CD2 3.63Å; V306-L310 HydrophobicContact CG2-CD2 4.22Å; Q307-L310 WeakPolarHBondContact O-CB 3.47Å; Q307-L310 PolarHBondContact O-N 3.42Å; S308-L310 PolarHBondContact O-N 3.34Å; L310-K312 PolarHBondContact O-N 3.34Å; L310-D313 PolarHBondContact O-N 3.13Å; L310-V314 HydrophobicContact CD1-CB 3.75Å; L310-V314 HydrophobicContact CD1-CG1 4.24Å; L310-V314 HydrophobicContact CD1-CG2 3.76Å; L310-V314 HydrophobicContact CG-CB 4.28Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 PolarHBondContact O-N 2.75Å; L310-V316 HydrophobicContact CD2-CG2 3.79Å; L310-V316 HydrophobicContact CG-CG2 4.12Å
311L78.4Confident88.9Confident20 Ų2040.4 Ų40.411%0.10522%0.215CC..Hα-helixtrans-74.4-10.9-173.5-59.2176.2000114.5I258 G309 V316 M333 T335I258-L311 HydrophobicContact CB-CD1 4.45Å; I258-L311 HydrophobicContact CD1-CD1 3.25Å; I258-L311 HydrophobicContact CD1-CG 4.37Å; I258-L311 HydrophobicContact CG1-CD1 4.41Å; I258-L311 HydrophobicContact CG2-CD1 4.14Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.17Å; L311-V316 HydrophobicContact CD2-CB 4.12Å; L311-V316 HydrophobicContact CD2-CG2 3.57Å; L311-M333 HydrophobicContact CD1-CE 3.15Å; L311-M333 HydrophobicContact CD2-CE 3.34Å; L311-M333 HydrophobicContact CD2-SD 4.37Å; L311-M333 HydrophobicContact CG-CE 3.84Å; L311-T335 HydrophobicContact CB-CG2 4.11Å; L311-T335 HydrophobicContact CD1-CG2 3.79Å; L311-T335 HydrophobicContact CD2-CG2 4.47Å; L311-T335 HydrophobicContact CG-CG2 4.35Å
312K73.6Confident88.9Confident176 Ų17639.1 Ų39.177%0.76521%0.208SC*.Hα-helixtrans-78.1-35.1172.8-66-175.9178.4-178.60111G309 L310G309-K312 PolarHBondContact O-N 3.12Å; L310-K312 PolarHBondContact O-N 3.34Å
313D73.2Confident88.8Confident113 Ų11347.1 Ų47.160%0.60424%0.243SC*.Hα-helixtrans-105.6-30.9-168.7-48-37.1000112.2R281 L310R281-D313 IonicContact CZ-OD2 3.53Å; R281-D313 IonicContact NH1-OD2 2.78Å; R281-D313 PolarHBondContact NH1-OD2 2.87Å; R281-D313 IonicContact NH2-OD2 3.07Å; R281-D313 PolarHBondContact NH2-OD2 2.88Å; R281-D313 VanDerWaalsContact NH2-OD2 3.07Å; L310-D313 PolarHBondContact O-N 3.13Å
314V80.4Confident88.6Confident19 Ų1946.7 Ų46.712%0.11525%0.246CC..  trans-123.3138-169.7177.60000111.6E277 D279 L310 V316E277-V314 HydrophobicContact CB-CG1 3.91Å; E277-V314 HydrophobicContact CG-CG1 4.03Å; D279-V314 HydrophobicContact CB-CG2 4.24Å; L310-V314 HydrophobicContact CD1-CB 3.75Å; L310-V314 HydrophobicContact CD1-CG1 4.24Å; L310-V314 HydrophobicContact CD1-CG2 3.76Å; L310-V314 HydrophobicContact CG-CB 4.28Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 PolarHBondContact O-N 2.75Å; V314-V316 PolarHBondContact O-N 2.93Å
315S84.1Confident88.6Confident49 Ų4948.9 Ų48.934%0.34326%0.257SS..  trans-84.993.3171.8-171.50000110.5K317S315-K317 PolarHBondContact O-N 2.79Å
316V89.4Confident88.6Confident2 Ų257 Ų571%0.01229%0.292CS..  trans-66.9122.3174.2-179.50000109.8W274 V276 L304 L310 L311 V314 M333W274-V316 HydrophobicContact CE3-CG1 3.61Å; W274-V316 HydrophobicContact CZ3-CG1 3.8Å; V276-V316 HydrophobicContact CG1-CG1 4.12Å; V276-V316 HydrophobicContact CG1-CG2 4.16Å; L304-V316 HydrophobicContact CD2-CG1 4.26Å; L310-V316 HydrophobicContact CD2-CG2 3.79Å; L310-V316 HydrophobicContact CG-CG2 4.12Å; L311-V316 HydrophobicContact CD2-CB 4.12Å; L311-V316 HydrophobicContact CD2-CG2 3.57Å; V314-V316 PolarHBondContact O-N 2.93Å; V316-M333 HydrophobicContact CB-CB 4.43Å; V316-M333 PolarHBondContact O-N 2.8Å
317K92.8Very high88.8Confident64 Ų6460.9 Ų60.928%0.27832%0.32SS..EExtended strand (participates in β ladder)trans-122.4133.7-178.4-65.4173.7-172.3169.10111.1N275 S315 L319 V331N275-K317 HydrophobicContact CB-CB 4.4Å; N275-K317 PolarHBondContact N-O 2.96Å; N275-K317 PolarHBondContact O-N 2.82Å; S315-K317 PolarHBondContact O-N 2.79Å; K317-L319 HydrophobicContact CB-CD2 4.42Å; K317-V331 WeakPolarHBondContact CA-O 3.39Å
318C95.3Very high89.1Confident0 Ų058.7 Ų58.70%031%0.314CS..EExtended strand (participates in β ladder)trans-86.1120.1164.5176.30000109V248 C262 I272 W274 A330 V331V248-C318 HydrophobicContact CG2-CB 3.6Å; C262-C318 HydrophobicContact CB-CB 3.66Å; C262-C318 WeakPolarHBondContact CB-SG 3.47Å; C262-C318 WeakPolarHBondContact SG-CB 3.39Å; C262-C318 CovalentContact SG-SG 2.03Å; C262-C318 PolarHBondContact SG-SG 3.19Å; I272-C318 WeakPolarHBondContact CG2-SG 3.19Å; W274-C318 HydrophobicContact CE3-CB 4.29Å; W274-C318 HydrophobicContact CH2-CB 4.35Å; W274-C318 HydrophobicContact CZ3-CB 4.13Å; C318-A330 CarbonylContact O-C 3.53Å; C318-A330 WeakPolarHBondContact O-CA 3.06Å; C318-V331 PolarHBondContact N-O 3.26Å; C318-V331 PolarHBondContact O-N 3.37Å
319L96.8Very high89.7Confident38 Ų3859 Ų5920%0.19931%0.311CS..EExtended strand (participates in β ladder)trans-102.4119.1175.6-55.3-178.8000108.8I272 V273 N275 K317 I329 A330I272-L319 WeakPolarHBondContact CA-O 2.98Å; V273-L319 HydrophobicContact CB-CB 4.42Å; V273-L319 PolarHBondContact N-O 2.69Å; V273-L319 WeakPolarHBondContact O-CA 3.13Å; V273-L319 WeakPolarHBondContact O-CB 2.92Å; V273-L319 PolarHBondContact O-N 2.01Å; N275-L319 HydrophobicContact CB-CD1 3.97Å; N275-L319 HydrophobicContact CB-CG 4.24Å; K317-L319 HydrophobicContact CB-CD2 4.42Å; L319-I329 WeakPolarHBondContact CA-O 3.49Å; L319-A330 HydrophobicContact CD2-CB 3.58Å
320V97.9Very high90.5Very high0 Ų060.7 Ų60.70%032%0.323CS..EExtended strand (participates in β ladder)trans-111109.7-178-176.40000110P244 P246 A270 E271 I272 P328 I329P244-V320 HydrophobicContact CB-CG1 3.85Å; P244-V320 HydrophobicContact CG-CG1 4.01Å; P246-V320 HydrophobicContact CB-CB 4.33Å; P246-V320 HydrophobicContact CB-CG2 3.61Å; P246-V320 HydrophobicContact CG-CB 4.27Å; P246-V320 HydrophobicContact CG-CG2 4Å; A270-V320 HydrophobicContact CB-CG1 3.61Å; E271-V320 CarbonylContact O-C 3.57Å; E271-V320 WeakPolarHBondContact O-CA 3.43Å; I272-V320 HydrophobicContact CG1-CG2 4.11Å; V320-P328 VanDerWaalsContact O-CA 3.27Å; V320-P328 WeakPolarHBondContact O-CA 2.88Å; V320-I329 PolarHBondContact N-O 3.29Å; V320-I329 PolarHBondContact O-N 2.88Å
321H97.7Very high91Very high73 Ų7362.5 Ų62.534%0.33833%0.333SS..EExtended strand (participates in β ladder)trans-93.1135.2178.6-66.7-100.3000110.3A270 E271A270-H321 CarbonylContact C-O 3.53Å; A270-H321 VanDerWaalsContact CA-O 3.31Å; A270-H321 WeakPolarHBondContact CA-O 3.48Å; A270-H321 WeakPolarHBondContact CB-O 3.46Å; E271-H321 HydrophobicContact CB-CB 4.23Å; E271-H321 PolarHBondContact N-O 3.42Å; E271-H321 PolarHBondContact O-N 3.39Å
322H97.4Very high91.6Very high17 Ų1764.2 Ų64.28%0.07935%0.347CS..  trans-150.1142.1179.8-178-97.8000110.7P244 R267 P268 A270 G324 L325P244-H322 HydrophobicContact CG-CB 3.77Å; R267-H322 PolarHBondContact O-NE2 3.1Å; R267-H322 VanDerWaalsContact O-NE2 3.16Å; P268-H322 WeakPolarHBondContact CD-NE2 3.49Å; P268-H322 PolarHBondContact O-CD2 2.96Å; P268-H322 PolarHBondContact O-NE2 3.1Å; A270-H322 HydrophobicContact CB-CB 4.29Å; H322-G324 PolarHBondContact ND1-N 3.08Å; H322-G324 PolarHBondContact O-N 2.8Å; H322-G324 VanDerWaalsContact O-N 3.08Å; H322-L325 HydrophobicContact CB-CD1 4.1Å; H322-L325 HydrophobicContact CB-CG 4.26Å; H322-L325 PolarHBondContact O-N 3.04Å
323K94.8Very high92.2Very high168 Ų16856.4 Ų56.473%0.7331%0.314SS*.THydrogen-bonded Turntrans-60.3-23.3-175.8-64.1-169.1-179.2-178.40114.4Y241 P268Y241-K323 HydrophobicContact CE2-CB 3.75Å; P268-K323 HydrophobicContact CG-CB 4.41Å; P268-K323 HydrophobicContact CG-CD 4.12Å; P268-K323 HydrophobicContact CG-CG 4.32Å
324G92.9Very high91.9Very high26 Ų2655.6 Ų55.627%0.26831%0.309SS..THydrogen-bonded Turntrans-885.5176.700000115.3L243 H322L243-G324 WeakPolarHBondContact CD2-O 3.5Å; H322-G324 PolarHBondContact ND1-N 3.08Å; H322-G324 PolarHBondContact O-N 2.8Å; H322-G324 VanDerWaalsContact O-N 3.08Å
325L95.2Very high91.2Very high49 Ų4956.4 Ų56.426%0.25731%0.314SS..  trans-120.3141179.6-62.2177.1000110.4L243 P244 H322 I329L243-L325 HydrophobicContact CD1-CD2 4.01Å; L243-L325 HydrophobicContact CD2-CD2 3.98Å; L243-L325 HydrophobicContact CD2-CG 4.24Å; L243-L325 HydrophobicContact CG-CD2 4.43Å; P244-L325 HydrophobicContact CG-CD1 3.78Å; H322-L325 HydrophobicContact CB-CD1 4.1Å; H322-L325 HydrophobicContact CB-CG 4.26Å; H322-L325 PolarHBondContact O-N 3.04Å; L325-I329 HydrophobicContact CD1-CD1 3.79Å; L325-I329 HydrophobicContact CD1-CG1 3.69Å
326E94.2Very high90.1Very high209 Ų20961.5 Ų61.598%0.97733%0.33SS*.SBendtrans-74.2-31.1174.1-65.5-179.8174.500112.1
327S95.3Very high88.6Confident83 Ų8366.4 Ų66.458%0.5836%0.355SS*.SBendtrans-136.3148.8179.463.20000111
328P96.7Very high87.1Confident52 Ų5265.3 Ų65.334%0.33836%0.362SS..PPolyproline II helixtrans-65.1148178.527.7-34.8000112V320V320-P328 VanDerWaalsContact O-CA 3.27Å; V320-P328 WeakPolarHBondContact O-CA 2.88Å
329I96.7Very high85.6Confident57 Ų5769 Ų6929%0.29239%0.385SS..EExtended strand (participates in β ladder)trans-81.2121.2170.6-56.9176000107.8P244 P246 L319 V320 L325 V331P244-I329 HydrophobicContact CG-CD1 4.13Å; P244-I329 WeakPolarHBondContact O-CD1 3.35Å; P246-I329 HydrophobicContact CG-CB 3.95Å; P246-I329 HydrophobicContact CG-CD1 4.29Å; P246-I329 HydrophobicContact CG-CG2 3.56Å; L319-I329 WeakPolarHBondContact CA-O 3.49Å; V320-I329 PolarHBondContact N-O 3.29Å; V320-I329 PolarHBondContact O-N 2.88Å; L325-I329 HydrophobicContact CD1-CD1 3.79Å; L325-I329 HydrophobicContact CD1-CG1 3.69Å; I329-V331 HydrophobicContact CG2-CG2 4.09Å
330A95.3Very high84.1Confident60 Ų6069.9 Ų69.950%0.49640%0.398SS..EExtended strand (participates in β ladder)trans-98.9119.1175.500000110.6C318 L319C318-A330 CarbonylContact O-C 3.53Å; C318-A330 WeakPolarHBondContact O-CA 3.06Å; L319-A330 HydrophobicContact CD2-CB 3.58Å
331V93.8Very high82.7Confident37 Ų3774.7 Ų74.722%0.22442%0.423CS..EExtended strand (participates in β ladder)trans-115.5115.8175.1-172.60000109.3P246 V248 K317 C318 I329P246-V331 HydrophobicContact CB-CG2 3.98Å; P246-V331 HydrophobicContact CG-CG2 3.59Å; V248-V331 HydrophobicContact CB-CG1 3.95Å; V248-V331 HydrophobicContact CG2-CB 3.74Å; V248-V331 HydrophobicContact CG2-CG1 3.55Å; K317-V331 WeakPolarHBondContact CA-O 3.39Å; C318-V331 PolarHBondContact N-O 3.26Å; C318-V331 PolarHBondContact O-N 3.37Å; I329-V331 HydrophobicContact CG2-CG2 4.09Å
332S89.8Confident81.4Confident56 Ų5675.5 Ų75.539%0.39243%0.433SS..EExtended strand (participates in β ladder)trans-81.6145.9178.7-55.40000111.8N334S332-N334 PolarHBondContact O-N 2.93Å
333M85.9Confident80.6Confident13 Ų1379.6 Ų79.66%0.06445%0.454CS..  trans-74.1109.2171.9-148.7165.4101.200109.9V248 Y250 I258 A260 L311 V316 T335V248-M333 HydrophobicContact CG1-CB 4.31Å; V248-M333 HydrophobicContact CG1-CG 3.9Å; Y250-M333 HydrophobicContact CD1-CE 3.9Å; Y250-M333 HydrophobicContact CD1-CG 3.46Å; Y250-M333 VanDerWaalsContact CD1-CG 3.46Å; Y250-M333 HydrophobicContact CD1-SD 4.07Å; Y250-M333 HydrophobicContact CD2-CE 4.01Å; Y250-M333 HydrophobicContact CE1-CG 4.09Å; Y250-M333 HydrophobicContact CG-CE 3.58Å; Y250-M333 HydrophobicContact CG-CG 4.06Å; Y250-M333 HydrophobicContact CG-SD 4.05Å; I258-M333 HydrophobicContact CG2-CE 3.95Å; A260-M333 HydrophobicContact CB-CE 4.41Å; A260-M333 HydrophobicContact CB-SD 3.37Å; A260-M333 WeakPolarHBondContact CB-SD 3.21Å; L311-M333 HydrophobicContact CD1-CE 3.15Å; L311-M333 HydrophobicContact CD2-CE 3.34Å; L311-M333 HydrophobicContact CD2-SD 4.37Å; L311-M333 HydrophobicContact CG-CE 3.84Å; V316-M333 HydrophobicContact CB-CB 4.43Å; V316-M333 PolarHBondContact O-N 2.8Å; M333-T335 HydrophobicContact CE-CG2 4.2Å; M333-T335 PolarHBondContact O-N 2.96Å; M333-T335 VanDerWaalsContact O-N 3.13Å
334N67.4Low80.1Confident95 Ų9576.7 Ų76.751%0.50845%0.446SS..  trans-87.287.3-171.4-148.2-17.9000111.3Y250 S332 I337Y250-N334 PolarHBondContact OH-O 2.81Å; S332-N334 PolarHBondContact O-N 2.93Å; N334-I337 HydrophobicContact CB-CD1 4.17Å; N334-I337 VanDerWaalsContact CG-CD1 3.47Å; N334-I337 WeakPolarHBondContact ND2-CD1 3.33Å
335T65.6Low79.7Confident36 Ų3680 Ų8022%0.22146%0.457CS..  trans-86.9-18.1-179.3560000113.5Y250 L311 M333Y250-T335 HydrophobicContact CE1-CG2 4.26Å; Y250-T335 HydrophobicContact CE2-CG2 4.34Å; Y250-T335 WeakPolarHBondContact OH-CA 3.38Å; L311-T335 HydrophobicContact CB-CG2 4.11Å; L311-T335 HydrophobicContact CD1-CG2 3.79Å; L311-T335 HydrophobicContact CD2-CG2 4.47Å; L311-T335 HydrophobicContact CG-CG2 4.35Å; M333-T335 HydrophobicContact CE-CG2 4.2Å; M333-T335 PolarHBondContact O-N 2.96Å; M333-T335 VanDerWaalsContact O-N 3.13Å
336K61.3Low79.3Confident156 Ų15680.3 Ų80.368%0.67846%0.463SS*.Hα-helixtrans-83.7-15.8-173.3-63.5-175.4179.5-179.50114.2T339 A340K336-T339 WeakPolarHBondContact CA-OG1 3.2Å; K336-T339 PolarHBondContact O-OG1 2.65Å; K336-A340 WeakPolarHBondContact O-CB 3.45Å; K336-A340 PolarHBondContact O-N 2.69Å
337I58.4Low79.3Confident105 Ų10574.5 Ų74.554%0.53844%0.442SS..Hα-helixtrans-65.6-42.9179.7-77.9172.5000111.6N334 T339 A340 L341N334-I337 HydrophobicContact CB-CD1 4.17Å; N334-I337 VanDerWaalsContact CG-CD1 3.47Å; N334-I337 WeakPolarHBondContact ND2-CD1 3.33Å; I337-T339 PolarHBondContact O-N 3.17Å; I337-A340 PolarHBondContact O-N 3.06Å; I337-L341 WeakPolarHBondContact O-CB 3.49Å; I337-L341 PolarHBondContact O-N 2.79Å
338G60.2Low79.1Confident41 Ų4174.3 Ų74.342%0.42344%0.437SS..Hα-helixtrans-62.6-44.7178.900000112.1L341 T342G338-L341 PolarHBondContact O-N 3.06Å; G338-T342 WeakPolarHBondContact O-CG2 3.21Å; G338-T342 PolarHBondContact O-N 2.77Å; G338-T342 PolarHBondContact O-OG1 2.77Å
339T65.3Low78.9Confident78 Ų7875.2 Ų75.248%0.47944%0.442SS..Hα-helixtrans-68.3-38.817848.20000112.9K336 I337 T342 I343K336-T339 WeakPolarHBondContact CA-OG1 3.2Å; K336-T339 PolarHBondContact O-OG1 2.65Å; I337-T339 PolarHBondContact O-N 3.17Å; T339-T342 WeakPolarHBondContact CA-OG1 3.33Å; T339-T342 PolarHBondContact O-OG1 3.48Å; T339-I343 WeakPolarHBondContact O-CB 3.39Å; T339-I343 VanDerWaalsContact O-CD1 3.32Å; T339-I343 WeakPolarHBondContact O-CD1 3.49Å; T339-I343 WeakPolarHBondContact O-CG1 3.44Å; T339-I343 PolarHBondContact O-N 3.3Å
340A64.6Low78.8Confident57 Ų5776.4 Ų76.447%0.47145%0.451SS..Hα-helixtrans-67.8-39.2177.500000111.5K336 I337 I343 L344K336-A340 WeakPolarHBondContact O-CB 3.45Å; K336-A340 PolarHBondContact O-N 2.69Å; I337-A340 PolarHBondContact O-N 3.06Å; A340-I343 PolarHBondContact O-N 3.21Å; A340-L344 VanDerWaalsContact O-CB 3.29Å; A340-L344 WeakPolarHBondContact O-CB 3.28Å; A340-L344 PolarHBondContact O-N 2.81Å
341L68.9Low78.7Confident101 Ų10175.9 Ų75.953%0.52945%0.447SS..Hα-helixtrans-68-42.3177.7-163.476.2000111.6I337 G338 L344 I345I337-L341 WeakPolarHBondContact O-CB 3.49Å; I337-L341 PolarHBondContact O-N 2.79Å; G338-L341 PolarHBondContact O-N 3.06Å; L341-L344 PolarHBondContact O-N 3.44Å; L341-I345 HydrophobicContact CD2-CD1 4.47Å; L341-I345 HydrophobicContact CG-CD1 4.07Å; L341-I345 WeakPolarHBondContact O-CB 3.48Å; L341-I345 WeakPolarHBondContact O-CD1 3.44Å; L341-I345 WeakPolarHBondContact O-CG1 3.13Å; L341-I345 PolarHBondContact O-N 3.17Å
342T70.4Confident78.7Confident89 Ų8976.8 Ų76.855%0.54646%0.459SS..Hα-helixtrans-66.1-40.2175.250.10000112.2G338 T339 I345 S346G338-T342 WeakPolarHBondContact O-CG2 3.21Å; G338-T342 PolarHBondContact O-N 2.77Å; G338-T342 PolarHBondContact O-OG1 2.77Å; T339-T342 WeakPolarHBondContact CA-OG1 3.33Å; T339-T342 PolarHBondContact O-OG1 3.48Å; T342-I345 PolarHBondContact O-N 3.13Å; T342-S346 WeakPolarHBondContact O-CB 3.45Å; T342-S346 PolarHBondContact O-N 3.49Å; T342-S346 PolarHBondContact O-OG 2.95Å
343I80.3Confident78.9Confident104 Ų10480.1 Ų80.153%0.53347%0.471SS..Hα-helixtrans-60.6-48.2172.6-68.9164.6000109.9T339 A340 I345 S346 V347T339-I343 WeakPolarHBondContact O-CB 3.39Å; T339-I343 VanDerWaalsContact O-CD1 3.32Å; T339-I343 WeakPolarHBondContact O-CD1 3.49Å; T339-I343 WeakPolarHBondContact O-CG1 3.44Å; T339-I343 PolarHBondContact O-N 3.3Å; A340-I343 PolarHBondContact O-N 3.21Å; I343-I345 PolarHBondContact O-N 2.83Å; I343-S346 WeakPolarHBondContact CA-OG 3.31Å; I343-S346 PolarHBondContact O-N 2.8Å; I343-S346 PolarHBondContact O-OG 2.95Å; I343-V347 HydrophobicContact CG2-CG2 4.2Å; I343-V347 VanDerWaalsContact O-CG2 3.3Å; I343-V347 WeakPolarHBondContact O-CG2 3.41Å; I343-V347 PolarHBondContact O-N 3.33Å
344L83Confident79.3Confident107 Ų10784.7 Ų84.756%0.5650%0.495SS*.Hα-helixtrans-60.2-44.9179.7-171.268.3000112.1A340 L341 V347 T348A340-L344 VanDerWaalsContact O-CB 3.29Å; A340-L344 WeakPolarHBondContact O-CB 3.28Å; A340-L344 PolarHBondContact O-N 2.81Å; L341-L344 PolarHBondContact O-N 3.44Å; L344-V347 PolarHBondContact O-N 2.82Å; L344-T348 WeakPolarHBondContact O-CB 3.06Å; L344-T348 WeakPolarHBondContact O-CG2 3.31Å; L344-T348 PolarHBondContact O-N 3.21Å; L344-T348 PolarHBondContact O-OG1 2.91Å
345I85.5Confident80.6Confident94 Ų9484.2 Ų84.248%0.48250%0.496SS..Hα-helixtrans-62.8-42.4175.7-66164.1000110.7L341 T342 I343 T348 T349L341-I345 HydrophobicContact CD2-CD1 4.47Å; L341-I345 HydrophobicContact CG-CD1 4.07Å; L341-I345 WeakPolarHBondContact O-CB 3.48Å; L341-I345 WeakPolarHBondContact O-CD1 3.44Å; L341-I345 WeakPolarHBondContact O-CG1 3.13Å; L341-I345 PolarHBondContact O-N 3.17Å; T342-I345 PolarHBondContact O-N 3.13Å; I343-I345 PolarHBondContact O-N 2.83Å; I345-T348 WeakPolarHBondContact CA-OG1 3.46Å; I345-T348 PolarHBondContact O-OG1 3Å; I345-T349 HydrophobicContact CG2-CG2 4.36Å; I345-T349 WeakPolarHBondContact O-CB 3.49Å; I345-T349 VanDerWaalsContact O-CG2 3.24Å; I345-T349 WeakPolarHBondContact O-CG2 3.5Å; I345-T349 PolarHBondContact O-N 2.83Å; I345-T349 PolarHBondContact O-OG1 3.22Å
346S87.4Confident81.8Confident57 Ų5788.8 Ų88.840%0.39952%0.516SS..Hα-helixtrans-64.5-42.2177.374.10000112.8T342 I343 T349 V350T342-S346 WeakPolarHBondContact O-CB 3.45Å; T342-S346 PolarHBondContact O-N 3.49Å; T342-S346 PolarHBondContact O-OG 2.95Å; I343-S346 WeakPolarHBondContact CA-OG 3.31Å; I343-S346 PolarHBondContact O-N 2.8Å; I343-S346 PolarHBondContact O-OG 2.95Å; S346-T349 WeakPolarHBondContact CA-OG1 3.33Å; S346-T349 PolarHBondContact O-OG1 3.5Å; S346-V350 VanDerWaalsContact O-CG2 3.26Å; S346-V350 WeakPolarHBondContact O-CG2 3.33Å; S346-V350 PolarHBondContact O-N 2.83Å; S346-V350 VanDerWaalsContact O-N 3.08Å
347V93Very high83.1Confident87 Ų8784.5 Ų84.553%0.52751%0.506SS..Hα-helixtrans-68.3-43.7179.9172.10000110.9I343 L344 V350 A351I343-V347 HydrophobicContact CG2-CG2 4.2Å; I343-V347 VanDerWaalsContact O-CG2 3.3Å; I343-V347 WeakPolarHBondContact O-CG2 3.41Å; I343-V347 PolarHBondContact O-N 3.33Å; L344-V347 PolarHBondContact O-N 2.82Å; V347-V350 PolarHBondContact O-N 3.37Å; V347-A351 WeakPolarHBondContact O-CB 3.39Å; V347-A351 PolarHBondContact O-N 3.01Å
348T91.8Very high84.7Confident78 Ų7884.6 Ų84.648%0.47951%0.507SS..Hα-helixtrans-65.1-40.6178.447.20000112.6L344 I345 A351 A352L344-T348 WeakPolarHBondContact O-CB 3.06Å; L344-T348 WeakPolarHBondContact O-CG2 3.31Å; L344-T348 PolarHBondContact O-N 3.21Å; L344-T348 PolarHBondContact O-OG1 2.91Å; I345-T348 WeakPolarHBondContact CA-OG1 3.46Å; I345-T348 PolarHBondContact O-OG1 3Å; T348-A351 PolarHBondContact O-N 2.88Å; T348-A352 WeakPolarHBondContact O-CB 3.35Å; T348-A352 PolarHBondContact O-N 2.9Å
349T92.1Very high86Confident71 Ų7186 Ų8644%0.43651%0.51SS..Hα-helixtrans-65.3-43.9175.848.40000112.2I345 S346 A352 L353I345-T349 HydrophobicContact CG2-CG2 4.36Å; I345-T349 WeakPolarHBondContact O-CB 3.49Å; I345-T349 VanDerWaalsContact O-CG2 3.24Å; I345-T349 WeakPolarHBondContact O-CG2 3.5Å; I345-T349 PolarHBondContact O-N 2.83Å; I345-T349 PolarHBondContact O-OG1 3.22Å; S346-T349 WeakPolarHBondContact CA-OG1 3.33Å; S346-T349 PolarHBondContact O-OG1 3.5Å; T349-A352 PolarHBondContact O-N 2.78Å; T349-L353 WeakPolarHBondContact O-CG 3.41Å; T349-L353 PolarHBondContact O-N 2.87Å
350V94.9Very high87.2Confident82 Ų8287.8 Ų87.850%0.49751%0.511SS..Hα-helixtrans-63.2-44.3176.3172.30000111.5S346 V347 A352 L353 L354S346-V350 VanDerWaalsContact O-CG2 3.26Å; S346-V350 WeakPolarHBondContact O-CG2 3.33Å; S346-V350 PolarHBondContact O-N 2.83Å; S346-V350 VanDerWaalsContact O-N 3.08Å; V347-V350 PolarHBondContact O-N 3.37Å; V350-A352 VanDerWaalsContact C-N 3.34Å; V350-A352 PolarHBondContact O-N 2.84Å; V350-L353 PolarHBondContact O-N 3.11Å; V350-L354 HydrophobicContact CG1-CD1 4.22Å; V350-L354 WeakPolarHBondContact O-CG 3.33Å; V350-L354 PolarHBondContact O-N 2.78Å
351A93.9Very high88.2Confident49 Ų4988.2 Ų88.241%0.40551%0.51SS..Hα-helixtrans-60.4-43.2177.300000111.9V347 T348 L353 L354 V355V347-A351 WeakPolarHBondContact O-CB 3.39Å; V347-A351 PolarHBondContact O-N 3.01Å; T348-A351 PolarHBondContact O-N 2.88Å; A351-L353 PolarHBondContact O-N 2.88Å; A351-L354 PolarHBondContact O-N 2.84Å; A351-V355 WeakPolarHBondContact O-CG2 3.46Å; A351-V355 PolarHBondContact O-N 3.22Å
352A93.3Very high88.9Confident56 Ų5689 Ų8946%0.46351%0.514SS..Hα-helixtrans-61.9-41.6176.700000112.3T348 T349 V350 V355 M356T348-A352 WeakPolarHBondContact O-CB 3.35Å; T348-A352 PolarHBondContact O-N 2.9Å; T349-A352 PolarHBondContact O-N 2.78Å; V350-A352 VanDerWaalsContact C-N 3.34Å; V350-A352 PolarHBondContact O-N 2.84Å; A352-V355 PolarHBondContact O-N 2.81Å; A352-M356 WeakPolarHBondContact O-CB 3.42Å; A352-M356 WeakPolarHBondContact O-CG 3.15Å; A352-M356 PolarHBondContact O-N 2.8Å
353L94.3Very high89.5Confident126 Ų12693 Ų9366%0.6652%0.519SS*.Hα-helixtrans-64.3-40.6176.7-70.9173.3000112.4T349 V350 A351 M356 S357T349-L353 WeakPolarHBondContact O-CG 3.41Å; T349-L353 PolarHBondContact O-N 2.87Å; V350-L353 PolarHBondContact O-N 3.11Å; A351-L353 PolarHBondContact O-N 2.88Å; L353-M356 PolarHBondContact O-N 2.79Å; L353-S357 WeakPolarHBondContact O-CB 3.37Å; L353-S357 PolarHBondContact O-N 2.94Å
354L94.1Very high89.5Confident109 Ų10994.2 Ų94.257%0.57152%0.521SS*.Hα-helixtrans-64.6-42.1176.3-71.9173.5000112V350 A351 S357 L358V350-L354 HydrophobicContact CG1-CD1 4.22Å; V350-L354 WeakPolarHBondContact O-CG 3.33Å; V350-L354 PolarHBondContact O-N 2.78Å; A351-L354 PolarHBondContact O-N 2.84Å; L354-S357 PolarHBondContact O-N 2.93Å; L354-L358 WeakPolarHBondContact O-CB 3.24Å; L354-L358 WeakPolarHBondContact O-CG 3.33Å; L354-L358 PolarHBondContact O-N 2.83Å
355V93.9Very high89.2Confident85 Ų8593.4 Ų93.452%0.51552%0.522SS..Hα-helixtrans-63.1-45.3175.6172.60000110.7A351 A352 S357 L358 C359A351-V355 WeakPolarHBondContact O-CG2 3.46Å; A351-V355 PolarHBondContact O-N 3.22Å; A352-V355 PolarHBondContact O-N 2.81Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 2.93Å; V355-L358 PolarHBondContact O-N 3.27Å; V355-C359 WeakPolarHBondContact O-CB 3.14Å; V355-C359 PolarHBondContact O-N 3.05Å; V355-C359 PolarHBondContact O-SG 2.8Å
356M90.6Very high88.5Confident132 Ų13296 Ų9665%0.6553%0.531SS*.Hα-helixtrans-61.6-40.7176.6-74.3-62.5-65.200112.3A352 L353 C359 F360A352-M356 WeakPolarHBondContact O-CB 3.42Å; A352-M356 WeakPolarHBondContact O-CG 3.15Å; A352-M356 PolarHBondContact O-N 2.8Å; L353-M356 PolarHBondContact O-N 2.79Å; M356-C359 PolarHBondContact O-N 3.05Å; M356-F360 WeakPolarHBondContact O-CB 3.48Å; M356-F360 PolarHBondContact O-N 2.92Å
357S89.7Confident87.3Confident67 Ų6797.3 Ų97.347%0.46953%0.533SS..Hα-helixtrans-63.5-44.4174.4-175.50000111.8L353 L354 V355 F360 C361L353-S357 WeakPolarHBondContact O-CB 3.37Å; L353-S357 PolarHBondContact O-N 2.94Å; L354-S357 PolarHBondContact O-N 2.93Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 2.93Å; S357-F360 PolarHBondContact O-N 3.38Å; S357-C361 WeakPolarHBondContact O-CB 3.38Å; S357-C361 PolarHBondContact O-N 3.05Å; S357-C361 PolarHBondContact O-SG 3.49Å
358L90.9Very high85.6Confident107 Ų107103 Ų10356%0.5655%0.545SS*.Hα-helixtrans-61.3-45.5176.1-83.7159.3000111.2L354 V355 F360 C361 L362L354-L358 WeakPolarHBondContact O-CB 3.24Å; L354-L358 WeakPolarHBondContact O-CG 3.33Å; L354-L358 PolarHBondContact O-N 2.83Å; V355-L358 PolarHBondContact O-N 3.27Å; L358-F360 VanDerWaalsContact C-N 3.31Å; L358-F360 PolarHBondContact O-N 3.18Å; L358-C361 PolarHBondContact O-N 2.98Å; L358-L362 WeakPolarHBondContact O-CB 3.24Å; L358-L362 VanDerWaalsContact O-CG 3.26Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3.04Å
359C89.1Confident84Confident70 Ų70107.4 Ų107.447%0.47356%0.557SS.*Hα-helixtrans-59.2-42.5174.8-70.50000111.6V355 M356 L362 W363V355-C359 WeakPolarHBondContact O-CB 3.14Å; V355-C359 PolarHBondContact O-N 3.05Å; V355-C359 PolarHBondContact O-SG 2.8Å; M356-C359 PolarHBondContact O-N 3.05Å; C359-L362 PolarHBondContact O-N 2.77Å; C359-W363 VanDerWaalsContact O-CB 3.28Å; C359-W363 WeakPolarHBondContact O-CB 3.41Å; C359-W363 PolarHBondContact O-N 3.46Å
360F89.1Confident82.2Confident116 Ų116110.6 Ų110.651%0.50957%0.567SS.*Hα-helixtrans-65.4-42.3176.1-176.6-98.2000112.5M356 S357 L358 W363 K364M356-F360 WeakPolarHBondContact O-CB 3.48Å; M356-F360 PolarHBondContact O-N 2.92Å; S357-F360 PolarHBondContact O-N 3.38Å; L358-F360 VanDerWaalsContact C-N 3.31Å; L358-F360 PolarHBondContact O-N 3.18Å; F360-W363 PolarHBondContact O-N 2.05Å; F360-K364 HydrophobicContact CD1-CG 4.34Å; F360-K364 HydrophobicContact CE1-CD 4.41Å; F360-K364 HydrophobicContact CE1-CG 3.95Å; F360-K364 HydrophobicContact CZ-CD 4.46Å; F360-K364 HydrophobicContact CZ-CG 4.13Å; F360-K364 WeakPolarHBondContact O-CB 3.04Å; F360-K364 WeakPolarHBondContact O-CG 3.44Å; F360-K364 PolarHBondContact O-N 2.89Å
361C85.5Confident80.2Confident65 Ų65113.6 Ų113.644%0.43958%0.58SS.*Hα-helixtrans-62.7-46174.8-70.80000111.5S357 L358 W363 K364 C365S357-C361 WeakPolarHBondContact O-CB 3.38Å; S357-C361 PolarHBondContact O-N 3.05Å; S357-C361 PolarHBondContact O-SG 3.49Å; L358-C361 PolarHBondContact O-N 2.98Å; C361-W363 VanDerWaalsContact C-N 3.34Å; C361-W363 PolarHBondContact O-N 3.17Å; C361-K364 PolarHBondContact O-N 3.04Å; C361-C365 WeakPolarHBondContact O-CB 3.44Å; C361-C365 PolarHBondContact O-N 2.98Å; C361-C365 PolarHBondContact O-SG 3.27Å
362L83.9Confident77.9Confident118 Ų118121.2 Ų121.262%0.61862%0.615SS**Hα-helixtrans-62.6-41.4176.5-71.4172.7000111.4L358 C359 C365 F366L358-L362 WeakPolarHBondContact O-CB 3.24Å; L358-L362 VanDerWaalsContact O-CG 3.26Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3.04Å; C359-L362 PolarHBondContact O-N 2.77Å; L362-C365 PolarHBondContact O-N 2.73Å; L362-F366 WeakPolarHBondContact O-CB 3.48Å; L362-F366 PolarHBondContact O-N 2.76Å
363W82.9Confident77.1Confident172 Ų172124.5 Ų124.565%0.65262%0.622SS**Hα-helixtrans-63.3-44.6175.6-170.97.9000111.8C359 F360 C361 C365 F366 L367C359-W363 VanDerWaalsContact O-CB 3.28Å; C359-W363 WeakPolarHBondContact O-CB 3.41Å; C359-W363 PolarHBondContact O-N 3.46Å; F360-W363 PolarHBondContact O-N 2.05Å; C361-W363 VanDerWaalsContact C-N 3.34Å; C361-W363 PolarHBondContact O-N 3.17Å; W363-C365 VanDerWaalsContact C-N 3.34Å; W363-C365 PolarHBondContact O-N 2.96Å; W363-F366 PolarHBondContact O-N 2.56Å; W363-L367 HydrophobicContact CG-CD1 4.42Å; W363-L367 PolarHBondContact O-N 3.16Å
364K80.7Confident76.2Confident131 Ų131124.4 Ų124.457%0.5762%0.62SS**Hα-helixtrans-61-39.4173.1-82.8-107.1178.2175.60112.6F360 C361 R368F360-K364 HydrophobicContact CD1-CG 4.34Å; F360-K364 HydrophobicContact CE1-CD 4.41Å; F360-K364 HydrophobicContact CE1-CG 3.95Å; F360-K364 HydrophobicContact CZ-CD 4.46Å; F360-K364 HydrophobicContact CZ-CG 4.13Å; F360-K364 WeakPolarHBondContact O-CB 3.04Å; F360-K364 WeakPolarHBondContact O-CG 3.44Å; F360-K364 PolarHBondContact O-N 2.89Å; C361-K364 PolarHBondContact O-N 3.04Å; K364-R368 VanDerWaalsContact O-CB 3.3Å; K364-R368 WeakPolarHBondContact O-CB 3.32Å; K364-R368 PolarHBondContact O-N 3.07Å
365C75.9Confident75.2Confident89 Ų89125.3 Ų125.360%0.60162%0.623SS**Hα-helixtrans-68.7-34.7175.7-73.20000112.5C361 L362 W363 K369C361-C365 WeakPolarHBondContact O-CB 3.44Å; C361-C365 PolarHBondContact O-N 2.98Å; C361-C365 PolarHBondContact O-SG 3.27Å; L362-C365 PolarHBondContact O-N 2.73Å; W363-C365 VanDerWaalsContact C-N 3.34Å; W363-C365 PolarHBondContact O-N 2.96Å; C365-K369 PolarHBondContact O-N 2.9Å
366F71.4Confident74.1Confident150 Ų150127.6 Ų127.666%0.65863%0.629SS**Hα-helixtrans-72.1-46.6178.9-148.1-84.9000111.6L362 W363 R368 K369L362-F366 WeakPolarHBondContact O-CB 3.48Å; L362-F366 PolarHBondContact O-N 2.76Å; W363-F366 PolarHBondContact O-N 2.56Å; F366-R368 VanDerWaalsContact C-N 3.3Å; F366-R368 PolarHBondContact O-N 3.07Å; F366-K369 WeakPolarHBondContact O-CB 3.29Å; F366-K369 PolarHBondContact O-N 3.2Å; F366-K369 VanDerWaalsContact O-N 3.1Å
367L61.5Low73.1Confident84 Ų84127.4 Ų127.444%0.4463%0.628SS.*Hα-helixtrans-61-39.2176.6-76169000112.2W363 K369 E370W363-L367 HydrophobicContact CG-CD1 4.42Å; W363-L367 PolarHBondContact O-N 3.16Å; L367-K369 PolarHBondContact O-N 3.31Å; L367-E370 PolarHBondContact O-N 2.98Å
368R58.9Low72Confident207 Ų207131.4 Ų131.478%0.78164%0.639SS**THydrogen-bonded Turntrans-71.7-9.6179.5-160.4173.3165.7-167.5-5.2113.5K364 F366K364-R368 VanDerWaalsContact O-CB 3.3Å; K364-R368 WeakPolarHBondContact O-CB 3.32Å; K364-R368 PolarHBondContact O-N 3.07Å; F366-R368 VanDerWaalsContact C-N 3.3Å; F366-R368 PolarHBondContact O-N 3.07Å
369K57.2Low70.7Confident170 Ų170133.1 Ų133.174%0.73964%0.644SS**THydrogen-bonded Turntrans-93.8-9.5175.3-160176.9178.5177.20112.6C365 F366 L367C365-K369 PolarHBondContact O-N 2.9Å; F366-K369 WeakPolarHBondContact O-CB 3.29Å; F366-K369 PolarHBondContact O-N 3.2Å; F366-K369 VanDerWaalsContact O-N 3.1Å; L367-K369 PolarHBondContact O-N 3.31Å
370E55.5Low69.2Low137 Ų137138 Ų13864%0.6466%0.657SS**SBendtrans-91.6-9.6173.3-77.1178.3145.600112.9L367L367-E370 PolarHBondContact O-N 2.98Å
371D51.8Low67.6Low145 Ų145139.8 Ų139.878%0.77567%0.67SS**  trans-101.12.7-178.4-74.4-31.8000114.4
372D45.8Very low66Low210 Ų210146.6 Ų146.6100%1.12369%0.691SS**  trans-119.10169.7-99.2-17.7000108.9

Retrieved 372 of 372 residues in 198.4 ms (Link to these results)