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Organic hydroperoxide resistance protein-like

AlphaFold DB (Q2G1T3), UniProt , Accession Q99VH8, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 140 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
1M81.8Confident95.5Very high243 Ų243121.3 Ų121.3100%1.19763%0.63SS**  0136.70-82.1-179.1-81.200107.9
2A92.4Very high95.8Very high77 Ų77118.5 Ų118.564%0.63662%0.622SS**  trans-90.2133.3172.100000108.8
3I93.6Very high95.9Very high132 Ų132114.2 Ų114.268%0.67762%0.624SS**  trans-86.5120.6169.6-62.2173.6000106.5E6I3-E6 HydrophobicContact CG2-CB 4.46Å
4H96.3Very high95.8Very high183 Ų183108.6 Ų108.685%0.84761%0.606SS**  trans-87.1-30-179.4-68.7-70.4000113
5Y97.5Very high95.7Very high171 Ų171109.3 Ų109.367%0.67160%0.595SS**  trans-157.8142.8-178.4177.8-106.6000109.5T7Y5-T7 HydrophobicContact CE1-CG2 3.84Å; Y5-T7 WeakPolarHBondContact OH-CB 3.33Å
6E97.3Very high95.7Very high136 Ų136111.1 Ų111.164%0.63660%0.596SS**  trans-135.9140.3174.4-177.9176.7102.700108.8I3I3-E6 HydrophobicContact CG2-CB 4.46Å
7T97.8Very high95.7Very high76 Ų76105.3 Ų105.347%0.46657%0.569SS.*  trans-144.1160.1175.4-170.50000110.3Y5Y5-T7 HydrophobicContact CE1-CG2 3.84Å; Y5-T7 WeakPolarHBondContact OH-CB 3.33Å
8K98.5Very high95.8Very high121 Ų121102.2 Ų102.253%0.52655%0.55SS..  trans-132.9146.2178.8-62.7178-174.3168.40110.1T21 D22K8-T21 WeakPolarHBondContact O-CA 3.34Å; K8-T21 WeakPolarHBondContact O-CB 3.47Å; K8-D22 PolarHBondContact O-N 2.96Å
9A98.5Very high96Very high65 Ų6597.6 Ų97.654%0.53753%0.526SS..EExtended strand (participates in β ladder)trans-131.1143.3170.200000110.2V19 Y20 T21A9-V19 HydrophobicContact CB-CG2 4.32Å; A9-Y20 CarbonylContact C-O 3.45Å; A9-Y20 WeakPolarHBondContact CA-O 3.18Å; A9-T21 HydrophobicContact CB-CG2 4.11Å
10T98.8Very high96.1Very high56 Ų5695.4 Ų95.434%0.34451%0.51SS..EExtended strand (participates in β ladder)trans-118.8127.9177.5-60.90000109.3V12 V19 Y20T10-V12 HydrophobicContact CG2-CG2 4.28Å; T10-V19 WeakPolarHBondContact O-CA 3.38Å; T10-Y20 HydrophobicContact CG2-CE1 4.14Å; T10-Y20 HydrophobicContact CG2-CE2 4.45Å; T10-Y20 WeakPolarHBondContact CG2-OH 3.26Å; T10-Y20 PolarHBondContact N-O 3.31Å; T10-Y20 WeakPolarHBondContact O-CD1 3.36Å; T10-Y20 PolarHBondContact O-N 3.46Å
11N98.5Very high96.2Very high74 Ų7491.7 Ų91.740%0.39649%0.491SS..EExtended strand (participates in β ladder)trans-103.8133.9169.2176.2-83.9000110.2G14 H18 V19N11-G14 PolarHBondContact ND2-O 3.35Å; N11-G14 WeakPolarHBondContact OD1-CA 3.44Å; N11-G14 PolarHBondContact OD1-N 2.83Å; N11-H18 CarbonylContact C-O 3.26Å; N11-H18 WeakPolarHBondContact CA-O 3.36Å; N11-V19 HydrophobicContact CB-CB 4.37Å; N11-V19 HydrophobicContact CB-CG2 4.35Å
12V98.4Very high97Very high88 Ų8885 Ų8553%0.53346%0.46SS..EExtended strand (participates in β ladder)trans-119.6129.2173.4-177.30000108.3T10 G17 H18 Y20T10-V12 HydrophobicContact CG2-CG2 4.28Å; V12-G17 CarbonylContact O-C 3.55Å; V12-G17 WeakPolarHBondContact O-CA 3.46Å; V12-H18 PolarHBondContact N-O 3.21Å; V12-H18 PolarHBondContact O-N 3.16Å; V12-Y20 HydrophobicContact CG2-CE1 4.23Å
13G97.2Very high97.3Very high63 Ų6386.2 Ų86.265%0.64946%0.455SS*.SBendtrans89.5-0.8177.400000115.9
14G95.1Very high97.5Very high36 Ų3686.1 Ų86.137%0.37145%0.447SS..G310 helixtrans69-133.7173.100000113.3N11 K16 G17N11-G14 PolarHBondContact ND2-O 3.35Å; N11-G14 WeakPolarHBondContact OD1-CA 3.44Å; N11-G14 PolarHBondContact OD1-N 2.83Å; G14-K16 PolarHBondContact O-N 3.06Å; G14-G17 PolarHBondContact O-N 3.04Å
15R94Very high97.6Very high118 Ų11881.5 Ų81.545%0.44544%0.44SS..G310 helixtrans-68.9-8.5-175.7-73.4-72.2-165.8164.3-0.5114.7V31 P32 E44R15-V31 CarbonylContact O-C 3.48Å; R15-V31 VanDerWaalsContact O-C 3.26Å; R15-V31 VanDerWaalsContact O-CA 3.27Å; R15-V31 WeakPolarHBondContact O-CA 3.37Å; R15-P32 VanDerWaalsContact O-CD 3.25Å; R15-P32 WeakPolarHBondContact O-CD 3.09Å; R15-E44 IonicContact CZ-OE1 2.9Å; R15-E44 IonicContact NH1-OE1 3.82Å; R15-E44 PolarHBondContact NH1-OE1 3.06Å; R15-E44 IonicContact NH1-OE2 2.97Å; R15-E44 PolarHBondContact NH1-OE2 3.36Å; R15-E44 IonicContact NH2-OE1 3.63Å; R15-E44 PolarHBondContact NH2-OE1 3.49Å; R15-E44 VanDerWaalsContact NH2-OE1 3.07Å
16K95Very high97.6Very high138 Ų13876.3 Ų76.360%0.642%0.424SS*.G310 helixtrans-134.965.2172.6-73.9-176.9-179.9179.30108G14 I30 P32G14-K16 PolarHBondContact O-N 3.06Å; K16-I30 CarbonylContact C-O 3.58Å; K16-I30 WeakPolarHBondContact CA-O 3.47Å; K16-P32 HydrophobicContact CG-CG 4.15Å
17G96.6Very high97.6Very high13 Ų1373.5 Ų73.513%0.13441%0.413CS..EExtended strand (participates in β ladder)trans-143.3-154.3-164.100000111.7V12 G14 D29 I30V12-G17 CarbonylContact O-C 3.55Å; V12-G17 WeakPolarHBondContact O-CA 3.46Å; G14-G17 PolarHBondContact O-N 3.04Å; G17-D29 WeakPolarHBondContact O-CA 3.48Å; G17-I30 PolarHBondContact N-O 2.93Å; G17-I30 PolarHBondContact O-N 2.99Å
18H98Very high97.6Very high50 Ų5072.3 Ų72.323%0.23140%0.403CS..EExtended strand (participates in β ladder)trans-144.7133.1-175.7-174.483000109.2N11 V12 Y20 D27 D29N11-H18 CarbonylContact C-O 3.26Å; N11-H18 WeakPolarHBondContact CA-O 3.36Å; V12-H18 PolarHBondContact N-O 3.21Å; V12-H18 PolarHBondContact O-N 3.16Å; H18-Y20 AromaticContact CD2-CD1 3.89Å; H18-D27 IonicContact CE1-OD1 2.79Å; H18-D27 PolarHBondContact CE1-OD1 2.88Å; H18-D27 IonicContact NE2-OD1 3.73Å; H18-D27 PolarHBondContact NE2-OD1 3.18Å; H18-D27 IonicContact NE2-OD2 3.21Å; H18-D29 IonicContact CE1-OD1 3.93Å; H18-D29 IonicContact CG-OD1 2.77Å; H18-D29 IonicContact ND1-OD1 3.78Å; H18-D29 PolarHBondContact ND1-OD1 3.18Å
19V98.4Very high97.5Very high15 Ų1570.8 Ų70.89%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-117.9138178.865.80000110.4A9 T10 N11 L26 D27 I28 I30 L46A9-V19 HydrophobicContact CB-CG2 4.32Å; T10-V19 WeakPolarHBondContact O-CA 3.38Å; N11-V19 HydrophobicContact CB-CB 4.37Å; N11-V19 HydrophobicContact CB-CG2 4.35Å; V19-L26 HydrophobicContact CG1-CD2 3.75Å; V19-L26 HydrophobicContact CG2-CD2 4.3Å; V19-D27 WeakPolarHBondContact O-CA 3.21Å; V19-I28 HydrophobicContact CG1-CG2 3.73Å; V19-I28 WeakPolarHBondContact CG1-O 3.41Å; V19-I28 PolarHBondContact N-O 2.65Å; V19-I28 PolarHBondContact O-N 3.29Å; V19-I30 HydrophobicContact CB-CD1 4.41Å; V19-I30 HydrophobicContact CB-CG1 4.08Å; V19-I30 HydrophobicContact CG1-CD1 3.6Å; V19-I30 HydrophobicContact CG1-CG1 3.75Å; V19-L46 HydrophobicContact CG1-CD1 4.35Å
20Y98.7Very high97.5Very high53 Ų5368 Ų6821%0.20838%0.377CS..EExtended strand (participates in β ladder)trans-144.4148.317758.5-88.5000113A9 T10 V12 H18 R24 L26A9-Y20 CarbonylContact C-O 3.45Å; A9-Y20 WeakPolarHBondContact CA-O 3.18Å; T10-Y20 HydrophobicContact CG2-CE1 4.14Å; T10-Y20 HydrophobicContact CG2-CE2 4.45Å; T10-Y20 WeakPolarHBondContact CG2-OH 3.26Å; T10-Y20 PolarHBondContact N-O 3.31Å; T10-Y20 WeakPolarHBondContact O-CD1 3.36Å; T10-Y20 PolarHBondContact O-N 3.46Å; V12-Y20 HydrophobicContact CG2-CE1 4.23Å; H18-Y20 AromaticContact CD2-CD1 3.89Å; Y20-R24 VanDerWaalsContact CB-NH1 3.29Å; Y20-R24 VanDerWaalsContact CD2-NH1 3.35Å; Y20-L26 CarbonylContact C-O 3.39Å; Y20-L26 WeakPolarHBondContact CA-O 3.24Å
21T98.7Very high97.4Very high18 Ų1866.6 Ų66.611%0.1137%0.368CS..EExtended strand (participates in β ladder)trans-85.5159.3168.1540000111.8K8 A9 D23 R24 A25 L26K8-T21 WeakPolarHBondContact O-CA 3.34Å; K8-T21 WeakPolarHBondContact O-CB 3.47Å; A9-T21 HydrophobicContact CB-CG2 4.11Å; T21-D23 VanDerWaalsContact CB-OD1 3.31Å; T21-D23 WeakPolarHBondContact CB-OD1 3.29Å; T21-D23 PolarHBondContact O-N 3.38Å; T21-D23 PolarHBondContact OG1-OD1 3.47Å; T21-R24 PolarHBondContact O-N 3.19Å; T21-R24 PolarHBondContact OG1-N 3.3Å; T21-A25 PolarHBondContact OG1-N 2.65Å; T21-A25 VanDerWaalsContact OG1-N 3.14Å; T21-L26 HydrophobicContact CG2-CB 4.02Å; T21-L26 PolarHBondContact N-O 3.35Å; T21-L26 PolarHBondContact OG1-N 3.17Å; T21-L26 VanDerWaalsContact OG1-N 3.13Å; T21-L26 PolarHBondContact OG1-O 3.04Å
22D98.1Very high97.3Very high103 Ų10364.6 Ų64.655%0.55136%0.359SS*.THydrogen-bonded Turntrans-56.5-34.4179.9-76.6-5.7000112.8K8K8-D22 PolarHBondContact O-N 2.96Å
23D98.3Very high97Very high101 Ų10163.6 Ų63.654%0.5435%0.354SS..THydrogen-bonded Turntrans-90.7-0.4177.566.2-3.8000114.1T21 A25T21-D23 VanDerWaalsContact CB-OD1 3.31Å; T21-D23 WeakPolarHBondContact CB-OD1 3.29Å; T21-D23 PolarHBondContact O-N 3.38Å; T21-D23 PolarHBondContact OG1-OD1 3.47Å; D23-A25 PolarHBondContact O-N 2.92Å; D23-A25 VanDerWaalsContact OD1-CB 3.31Å; D23-A25 WeakPolarHBondContact OD1-CB 3.22Å; D23-A25 PolarHBondContact OD1-N 3.01Å
24R97.9Very high96.8Very high130 Ų13065.6 Ų65.649%0.49137%0.365SS..SBendtrans60.218.9-177.9-52.3-66-178.5159.4-8.8114.7Y20 T21 L26 D27Y20-R24 VanDerWaalsContact CB-NH1 3.29Å; Y20-R24 VanDerWaalsContact CD2-NH1 3.35Å; T21-R24 PolarHBondContact O-N 3.19Å; T21-R24 PolarHBondContact OG1-N 3.3Å; R24-L26 PolarHBondContact O-N 3.21Å; R24-D27 VanDerWaalsContact CD-OD2 3.29Å; R24-D27 WeakPolarHBondContact CD-OD2 3.46Å; R24-D27 IonicContact CZ-OD2 2.77Å; R24-D27 IonicContact NE-OD2 3.07Å; R24-D27 IonicContact NH1-OD2 3.43Å; R24-D27 PolarHBondContact NH1-OD2 2.85Å
25A97.9Very high96.7Very high86 Ų8668.7 Ų68.771%0.71137%0.37SS*.SBendtrans-64.2-30.2172.700000112.2T21 D23T21-A25 PolarHBondContact OG1-N 2.65Å; T21-A25 VanDerWaalsContact OG1-N 3.14Å; D23-A25 PolarHBondContact O-N 2.92Å; D23-A25 VanDerWaalsContact OD1-CB 3.31Å; D23-A25 WeakPolarHBondContact OD1-CB 3.22Å; D23-A25 PolarHBondContact OD1-N 3.01Å
26L97.7Very high96.3Very high63 Ų6364.8 Ų64.833%0.3336%0.363SS..SBendtrans-119.6126.3164.8-175.7139.4000107.8V19 Y20 T21 R24 I28 L46V19-L26 HydrophobicContact CG1-CD2 3.75Å; V19-L26 HydrophobicContact CG2-CD2 4.3Å; Y20-L26 CarbonylContact C-O 3.39Å; Y20-L26 WeakPolarHBondContact CA-O 3.24Å; T21-L26 HydrophobicContact CG2-CB 4.02Å; T21-L26 PolarHBondContact N-O 3.35Å; T21-L26 PolarHBondContact OG1-N 3.17Å; T21-L26 VanDerWaalsContact OG1-N 3.13Å; T21-L26 PolarHBondContact OG1-O 3.04Å; R24-L26 PolarHBondContact O-N 3.21Å; L26-I28 HydrophobicContact CD2-CG2 4.1Å; L26-I28 HydrophobicContact CG-CG2 4.33Å; L26-L46 HydrophobicContact CD1-CD2 4Å
27D98Very high95.9Very high77 Ų7763.3 Ų63.341%0.41236%0.362SS..EExtended strand (participates in β ladder)trans-156.597.5-178.3-171.1-62.5000106.5H18 V19 R24H18-D27 IonicContact CE1-OD1 2.79Å; H18-D27 PolarHBondContact CE1-OD1 2.88Å; H18-D27 IonicContact NE2-OD1 3.73Å; H18-D27 PolarHBondContact NE2-OD1 3.18Å; H18-D27 IonicContact NE2-OD2 3.21Å; V19-D27 WeakPolarHBondContact O-CA 3.21Å; R24-D27 VanDerWaalsContact CD-OD2 3.29Å; R24-D27 WeakPolarHBondContact CD-OD2 3.46Å; R24-D27 IonicContact CZ-OD2 2.77Å; R24-D27 IonicContact NE-OD2 3.07Å; R24-D27 IonicContact NH1-OD2 3.43Å; R24-D27 PolarHBondContact NH1-OD2 2.85Å
28I97.2Very high95.5Very high51 Ų5166.4 Ų66.426%0.26239%0.393SS..EExtended strand (participates in β ladder)trans-153.4147.2-167-168.1165.5000112.2V19 L26 T41V19-I28 HydrophobicContact CG1-CG2 3.73Å; V19-I28 WeakPolarHBondContact CG1-O 3.41Å; V19-I28 PolarHBondContact N-O 2.65Å; V19-I28 PolarHBondContact O-N 3.29Å; L26-I28 HydrophobicContact CD2-CG2 4.1Å; L26-I28 HydrophobicContact CG-CG2 4.33Å; I28-T41 HydrophobicContact CD1-CG2 3.9Å; I28-T41 HydrophobicContact CG1-CG2 4.17Å; I28-T41 HydrophobicContact CG2-CG2 3.76Å
29D97.6Very high95.2Very high88 Ų8872.3 Ų72.347%0.47142%0.419SS..EExtended strand (participates in β ladder)trans-70.7143.7174.2-70.2-20.9000112.2G17 H18 A40 T41G17-D29 WeakPolarHBondContact O-CA 3.48Å; H18-D29 IonicContact CE1-OD1 3.93Å; H18-D29 IonicContact CG-OD1 2.77Å; H18-D29 IonicContact ND1-OD1 3.78Å; H18-D29 PolarHBondContact ND1-OD1 3.18Å; D29-A40 HydrophobicContact CB-CB 3.89Å; D29-A40 WeakPolarHBondContact O-CA 3.46Å; D29-T41 PolarHBondContact O-N 3.15Å
30I97.9Very high95.1Very high7 Ų772.1 Ų72.14%0.03642%0.418CS..EExtended strand (participates in β ladder)trans-109.9127.3175.5-60.2-57.4000109.4K16 G17 V19 T41 L46K16-I30 CarbonylContact C-O 3.58Å; K16-I30 WeakPolarHBondContact CA-O 3.47Å; G17-I30 PolarHBondContact N-O 2.93Å; G17-I30 PolarHBondContact O-N 2.99Å; V19-I30 HydrophobicContact CB-CD1 4.41Å; V19-I30 HydrophobicContact CB-CG1 4.08Å; V19-I30 HydrophobicContact CG1-CD1 3.6Å; V19-I30 HydrophobicContact CG1-CG1 3.75Å; I30-T41 CarbonylContact C-O 3.41Å; I30-T41 WeakPolarHBondContact CA-O 3.4Å; I30-T41 HydrophobicContact CD1-CG2 3.6Å; I30-L46 HydrophobicContact CD1-CD1 3.89Å
31V97.3Very high95Very high26 Ų2670.2 Ų70.216%0.15841%0.412CS..  trans-129.2161.7175.3-64.90000110.8R15 Q35 A36 A40 T41 N42R15-V31 CarbonylContact O-C 3.48Å; R15-V31 VanDerWaalsContact O-C 3.26Å; R15-V31 VanDerWaalsContact O-CA 3.27Å; R15-V31 WeakPolarHBondContact O-CA 3.37Å; V31-Q35 HydrophobicContact CB-CB 4.05Å; V31-Q35 HydrophobicContact CG2-CB 4.22Å; V31-A36 HydrophobicContact CG2-CB 4.49Å; V31-A40 HydrophobicContact CB-CB 4.31Å; V31-A40 HydrophobicContact CG1-CB 3.72Å; V31-A40 HydrophobicContact CG2-CB 3.69Å; V31-T41 PolarHBondContact N-O 3.16Å; V31-N42 VanDerWaalsContact O-CB 3.29Å; V31-N42 WeakPolarHBondContact O-CB 3.44Å
32P94.5Very high94.9Very high33 Ų3369.7 Ų69.721%0.21441%0.409CS..  trans-61.3151.1170.1-21.434.4000111R15 K16 A34 Q35 A36R15-P32 VanDerWaalsContact O-CD 3.25Å; R15-P32 WeakPolarHBondContact O-CD 3.09Å; K16-P32 HydrophobicContact CG-CG 4.15Å; P32-A34 PolarHBondContact O-N 3.38Å; P32-A34 VanDerWaalsContact O-N 3.1Å; P32-Q35 WeakPolarHBondContact O-CA 3.36Å; P32-Q35 PolarHBondContact O-N 2.85Å; P32-A36 PolarHBondContact O-N 2.96Å
33P92.7Very high94.8Very high66 Ų6667.4 Ų67.443%0.42940%0.399SS..G310 helixtrans-51.3-39.4-178.1-30.636.1000114.6Q35 A36 N42P33-Q35 PolarHBondContact O-N 2.95Å; P33-Q35 VanDerWaalsContact O-N 3.08Å; P33-A36 WeakPolarHBondContact O-CB 3.44Å; P33-A36 PolarHBondContact O-N 3.03Å; P33-N42 HydrophobicContact CG-CB 4.45Å
34A92.7Very high94.8Very high106 Ų10663.7 Ų63.788%0.87638%0.379SS*.G310 helixtrans-65.4-9177.500000114.8P32P32-A34 PolarHBondContact O-N 3.38Å; P32-A34 VanDerWaalsContact O-N 3.1Å
35Q93.3Very high94.7Very high100 Ų10061.6 Ų61.647%0.46738%0.375SS..G310 helixtrans-115.42.7-179.5-58.6-172.3-6.400112.6V31 P32 P33 D37V31-Q35 HydrophobicContact CB-CB 4.05Å; V31-Q35 HydrophobicContact CG2-CB 4.22Å; P32-Q35 WeakPolarHBondContact O-CA 3.36Å; P32-Q35 PolarHBondContact O-N 2.85Å; P33-Q35 PolarHBondContact O-N 2.95Å; P33-Q35 VanDerWaalsContact O-N 3.08Å; Q35-D37 PolarHBondContact O-N 3.13Å
36A85.8Confident94.7Very high37 Ų3760.1 Ų60.131%0.30636%0.355SS..  trans-64.6121.517800000110.2V31 P32 P33V31-A36 HydrophobicContact CG2-CB 4.49Å; P32-A36 PolarHBondContact O-N 2.96Å; P33-A36 WeakPolarHBondContact O-CB 3.44Å; P33-A36 PolarHBondContact O-N 3.03Å
37D86.2Confident94.7Very high106 Ų10659.3 Ų59.357%0.56735%0.348SS*.  trans-118.35.7-173.470.7-16.1000113.1Q35 K39 A40Q35-D37 PolarHBondContact O-N 3.13Å; D37-K39 VanDerWaalsContact C-N 3.31Å; D37-K39 WeakPolarHBondContact OD1-CA 3.41Å; D37-K39 WeakPolarHBondContact OD1-CB 3.25Å; D37-K39 PolarHBondContact OD1-N 3.24Å; D37-A40 PolarHBondContact OD1-N 3.4Å
38G88.3Confident94.8Very high78 Ų7856.5 Ų56.580%0.80434%0.336SS*.SBendtrans84.2-3.6-175.400000114.8
39K91.8Very high94.8Very high175 Ų17556.8 Ų56.876%0.76135%0.346SS*.SBendtrans-105.2-37.3172.3-62.7178.5-179.6176.10111.8D37D37-K39 VanDerWaalsContact C-N 3.31Å; D37-K39 WeakPolarHBondContact OD1-CA 3.41Å; D37-K39 WeakPolarHBondContact OD1-CB 3.25Å; D37-K39 PolarHBondContact OD1-N 3.24Å
40A95.7Very high94.9Very high10 Ų1053.5 Ų53.58%0.08333%0.333CS..SBendtrans-101.4159.9168.400000110.6D29 V31 D37D29-A40 HydrophobicContact CB-CB 3.89Å; D29-A40 WeakPolarHBondContact O-CA 3.46Å; V31-A40 HydrophobicContact CB-CB 4.31Å; V31-A40 HydrophobicContact CG1-CB 3.72Å; V31-A40 HydrophobicContact CG2-CB 3.69Å; D37-A40 PolarHBondContact OD1-N 3.4Å
41T96.6Very high94.9Very high13 Ų1353.2 Ų53.28%0.0833%0.332CS..BIsolated β-bridgetrans-123-172.7179.3-165.90000111.4I28 D29 I30 V31 Q45 L46I28-T41 HydrophobicContact CD1-CG2 3.9Å; I28-T41 HydrophobicContact CG1-CG2 4.17Å; I28-T41 HydrophobicContact CG2-CG2 3.76Å; D29-T41 PolarHBondContact O-N 3.15Å; I30-T41 CarbonylContact C-O 3.41Å; I30-T41 WeakPolarHBondContact CA-O 3.4Å; I30-T41 HydrophobicContact CD1-CG2 3.6Å; V31-T41 PolarHBondContact N-O 3.16Å; T41-Q45 VanDerWaalsContact OG1-CB 3.22Å; T41-Q45 WeakPolarHBondContact OG1-CB 3.47Å; T41-Q45 PolarHBondContact OG1-OE1 3.4Å; T41-L46 HydrophobicContact CG2-CD1 4.24Å; T41-L46 HydrophobicContact CG2-CD2 3.9Å; T41-L46 HydrophobicContact CG2-CG 3.92Å
42N97.1Very high95Very high8 Ų852.8 Ų52.84%0.04333%0.331CS..  trans-143.7162.9176.856.360.6000109.8V31 P33 E44 Q45 L46V31-N42 VanDerWaalsContact O-CB 3.29Å; V31-N42 WeakPolarHBondContact O-CB 3.44Å; P33-N42 HydrophobicContact CG-CB 4.45Å; N42-E44 WeakPolarHBondContact CB-OE2 3.34Å; N42-E44 PolarHBondContact O-N 3.47Å; N42-E44 VanDerWaalsContact O-N 3.17Å; N42-E44 WeakPolarHBondContact OD1-CB 3.36Å; N42-E44 PolarHBondContact OD1-N 3.36Å; N42-E44 PolarHBondContact OD1-OE2 3.45Å; N42-Q45 PolarHBondContact O-N 3.08Å; N42-Q45 WeakPolarHBondContact OD1-CB 3.25Å; N42-Q45 WeakPolarHBondContact OD1-CG 3.49Å; N42-Q45 PolarHBondContact OD1-N 3.13Å; N42-L46 WeakPolarHBondContact O-CG 3.31Å; N42-L46 PolarHBondContact O-N 2.82Å
43P96.6Very high95.2Very high54 Ų5455.3 Ų55.335%0.35135%0.35SS..Hα-helixtrans-53.6-34.3178.8-28.737.1000114.1L46 F47P43-L46 PolarHBondContact O-N 3.1Å; P43-F47 WeakPolarHBondContact O-CB 3.31Å; P43-F47 PolarHBondContact O-N 3.16Å
44E97Very high95.4Very high23 Ų2353.7 Ų53.711%0.10734%0.339CS..Hα-helixtrans-69.3-41.9-178.3-58.772.2-157.200111.4R15 N42 F47 A48 V79 L81 L92R15-E44 IonicContact CZ-OE1 2.9Å; R15-E44 IonicContact NH1-OE1 3.82Å; R15-E44 PolarHBondContact NH1-OE1 3.06Å; R15-E44 IonicContact NH1-OE2 2.97Å; R15-E44 PolarHBondContact NH1-OE2 3.36Å; R15-E44 IonicContact NH2-OE1 3.63Å; R15-E44 PolarHBondContact NH2-OE1 3.49Å; R15-E44 VanDerWaalsContact NH2-OE1 3.07Å; N42-E44 WeakPolarHBondContact CB-OE2 3.34Å; N42-E44 PolarHBondContact O-N 3.47Å; N42-E44 VanDerWaalsContact O-N 3.17Å; N42-E44 WeakPolarHBondContact OD1-CB 3.36Å; N42-E44 PolarHBondContact OD1-N 3.36Å; N42-E44 PolarHBondContact OD1-OE2 3.45Å; E44-F47 PolarHBondContact O-N 2.94Å; E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.41Å; E44-V79 HydrophobicContact CB-CG1 4.43Å; E44-L81 HydrophobicContact CG-CB 4.2Å; E44-L92 HydrophobicContact CG-CD2 4.45Å
45Q97.2Very high95.7Very high87 Ų8748.6 Ų48.641%0.40730%0.297SS..Hα-helixtrans-66.1-39.3172-78.7-177.8-9.700112.5T41 N42 F47 A48 A49T41-Q45 VanDerWaalsContact OG1-CB 3.22Å; T41-Q45 WeakPolarHBondContact OG1-CB 3.47Å; T41-Q45 PolarHBondContact OG1-OE1 3.4Å; N42-Q45 PolarHBondContact O-N 3.08Å; N42-Q45 WeakPolarHBondContact OD1-CB 3.25Å; N42-Q45 WeakPolarHBondContact OD1-CG 3.49Å; N42-Q45 PolarHBondContact OD1-N 3.13Å; Q45-F47 VanDerWaalsContact C-N 3.34Å; Q45-A48 WeakPolarHBondContact O-CB 3.45Å; Q45-A48 PolarHBondContact O-N 2.96Å; Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.36Å
46L97.5Very high96Very high55 Ų5546 Ų4629%0.28829%0.287SS..Hα-helixtrans-64-41.6175.6-69.9176.4000111.4V19 L26 I30 T41 N42 P43 A48 A49 G50V19-L46 HydrophobicContact CG1-CD1 4.35Å; L26-L46 HydrophobicContact CD1-CD2 4Å; I30-L46 HydrophobicContact CD1-CD1 3.89Å; T41-L46 HydrophobicContact CG2-CD1 4.24Å; T41-L46 HydrophobicContact CG2-CD2 3.9Å; T41-L46 HydrophobicContact CG2-CG 3.92Å; N42-L46 WeakPolarHBondContact O-CG 3.31Å; N42-L46 PolarHBondContact O-N 2.82Å; P43-L46 PolarHBondContact O-N 3.1Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A49 PolarHBondContact O-N 2.98Å; L46-G50 PolarHBondContact O-N 3.28Å
47F98.3Very high96.6Very high45 Ų4546.4 Ų46.420%0.19729%0.294CS..Hα-helixtrans-62.2-43.1173-171.9-106.7000110.9P43 E44 Q45 Y51 V79 L92 V94 Y122 T126P43-F47 WeakPolarHBondContact O-CB 3.31Å; P43-F47 PolarHBondContact O-N 3.16Å; E44-F47 PolarHBondContact O-N 2.94Å; Q45-F47 VanDerWaalsContact C-N 3.34Å; F47-Y51 AromaticContact CE1-CD1 3.78Å; F47-Y51 HydrophobicContact CE1-CD1 3.78Å; F47-Y51 HydrophobicContact CE1-CE1 4.43Å; F47-Y51 AromaticContact CZ-CD1 3.79Å; F47-Y51 HydrophobicContact CZ-CD1 3.79Å; F47-Y51 HydrophobicContact CZ-CE1 4.31Å; F47-Y51 WeakPolarHBondContact O-CB 3.35Å; F47-Y51 PolarHBondContact O-N 3.43Å; F47-V79 HydrophobicContact CD1-CG1 4.02Å; F47-V79 HydrophobicContact CD1-CG2 3.8Å; F47-V79 HydrophobicContact CE1-CG2 4.48Å; F47-L92 HydrophobicContact CD1-CD1 3.96Å; F47-L92 HydrophobicContact CE1-CD1 4.15Å; F47-L92 HydrophobicContact CG-CD1 4.33Å; F47-V94 HydrophobicContact CE1-CG2 3.96Å; F47-Y122 HydrophobicContact CD2-CE1 4.46Å; F47-Y122 HydrophobicContact CE2-CD1 4.16Å; F47-Y122 HydrophobicContact CE2-CE1 4.41Å; F47-T126 HydrophobicContact CE2-CG2 4.28Å; F47-T126 HydrophobicContact CZ-CG2 3.78Å
48A98.6Very high97.2Very high18 Ų1841.5 Ų41.515%0.14927%0.268CS..Hα-helixtrans-59.6-49.2176.900000112.5E44 Q45 L46 Y51 A52 V79E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.41Å; Q45-A48 WeakPolarHBondContact O-CB 3.45Å; Q45-A48 PolarHBondContact O-N 2.96Å; L46-A48 VanDerWaalsContact C-N 3.33Å; A48-Y51 PolarHBondContact O-N 3.28Å; A48-A52 VanDerWaalsContact O-CB 3.23Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 3.36Å; A48-V79 HydrophobicContact CB-CB 4.29Å; A48-V79 HydrophobicContact CB-CG2 3.5Å
49A98.3Very high97.6Very high57 Ų5737.8 Ų37.847%0.47123%0.23SC..Hα-helixtrans-64.3-46.1-17900000112.4Q45 L46 S53Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.36Å; L46-A49 PolarHBondContact O-N 2.98Å; A49-S53 WeakPolarHBondContact O-CB 3.32Å; A49-S53 PolarHBondContact O-N 2.97Å; A49-S53 VanDerWaalsContact O-N 3.08Å; A49-S53 PolarHBondContact O-OG 3.49Å
50G98.6Very high97.9Very high20 Ų2031.9 Ų31.921%0.20621%0.207CC..Hα-helixtrans-62.4-46.1177.300000112L46 S53 C54L46-G50 PolarHBondContact O-N 3.28Å; G50-S53 PolarHBondContact O-N 2.85Å; G50-C54 VanDerWaalsContact O-CB 3.25Å; G50-C54 WeakPolarHBondContact O-CB 3.07Å; G50-C54 PolarHBondContact O-N 3.13Å
51Y98.7Very high98Very high0 Ų034.4 Ų34.40%022%0.219CC..Hα-helixtrans-69.5-45.2-178.9-159.9169.9000111.4F47 A48 S53 C54 F55 L77 V94 I96 Y122 S123F47-Y51 AromaticContact CE1-CD1 3.78Å; F47-Y51 HydrophobicContact CE1-CD1 3.78Å; F47-Y51 HydrophobicContact CE1-CE1 4.43Å; F47-Y51 AromaticContact CZ-CD1 3.79Å; F47-Y51 HydrophobicContact CZ-CD1 3.79Å; F47-Y51 HydrophobicContact CZ-CE1 4.31Å; F47-Y51 WeakPolarHBondContact O-CB 3.35Å; F47-Y51 PolarHBondContact O-N 3.43Å; A48-Y51 PolarHBondContact O-N 3.28Å; Y51-S53 VanDerWaalsContact C-N 3.31Å; Y51-S53 PolarHBondContact O-N 2.92Å; Y51-C54 PolarHBondContact O-N 3.17Å; Y51-F55 HydrophobicContact CD2-CB 4.26Å; Y51-F55 HydrophobicContact CE2-CB 4.37Å; Y51-F55 HydrophobicContact CE2-CD2 4.12Å; Y51-F55 VanDerWaalsContact O-CB 3.3Å; Y51-F55 WeakPolarHBondContact O-CB 3.39Å; Y51-F55 PolarHBondContact O-N 3.23Å; Y51-L77 HydrophobicContact CD1-CD1 4.09Å; Y51-L77 HydrophobicContact CD1-CG 4.48Å; Y51-L77 HydrophobicContact CG-CD1 4.3Å; Y51-L77 HydrophobicContact CG-CG 4.28Å; Y51-V94 HydrophobicContact CD1-CG1 4.39Å; Y51-V94 HydrophobicContact CD1-CG2 4.34Å; Y51-V94 HydrophobicContact CE1-CG1 4.14Å; Y51-V94 HydrophobicContact CE1-CG2 4.25Å; Y51-I96 HydrophobicContact CE2-CD1 4.29Å; Y51-Y122 HydrophobicContact CD1-CD1 4.47Å; Y51-Y122 HydrophobicContact CD2-CD1 4.26Å; Y51-Y122 HydrophobicContact CD2-CG 4.13Å; Y51-Y122 AromaticContact CG-CD1 3.89Å; Y51-Y122 HydrophobicContact CG-CD1 3.89Å; Y51-Y122 HydrophobicContact CG-CG 4.23Å; Y51-S123 VanDerWaalsContact CE2-OG 3.24Å; Y51-S123 WeakPolarHBondContact CE2-OG 3.25Å; Y51-S123 WeakPolarHBondContact OH-CA 3.13Å; Y51-S123 WeakPolarHBondContact OH-CB 3.4Å; Y51-S123 PolarHBondContact OH-OG 2.83Å
52A98.8Very high98Very high18 Ų1834.2 Ų34.215%0.14922%0.217CC..Hα-helixtrans-54.8-47.4174.900000111.8A48 F55 N56 L77A48-A52 VanDerWaalsContact O-CB 3.23Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 3.36Å; A52-F55 PolarHBondContact O-N 2.96Å; A52-N56 WeakPolarHBondContact O-CB 3.42Å; A52-N56 PolarHBondContact O-N 3.45Å; A52-L77 HydrophobicContact CB-CB 3.71Å; A52-L77 HydrophobicContact CB-CG 4.49Å
53S98.7Very high98Very high86 Ų8633.8 Ų33.860%0.60122%0.215SC*.Hα-helixtrans-63.7-44.7179.7-56.80000111.9A49 G50 Y51 G57A49-S53 WeakPolarHBondContact O-CB 3.32Å; A49-S53 PolarHBondContact O-N 2.97Å; A49-S53 VanDerWaalsContact O-N 3.08Å; A49-S53 PolarHBondContact O-OG 3.49Å; G50-S53 PolarHBondContact O-N 2.85Å; Y51-S53 VanDerWaalsContact C-N 3.31Å; Y51-S53 PolarHBondContact O-N 2.92Å; S53-G57 PolarHBondContact O-N 2.95Å; S53-G57 VanDerWaalsContact O-N 3.1Å
54C98.7Very high98Very high31 Ų3137.1 Ų37.121%0.20922%0.224CC..Hα-helixtrans-65.4-44.6179.3-173.30000111.7G50 Y51 G57 A58 C120 P121 Y122G50-C54 VanDerWaalsContact O-CB 3.25Å; G50-C54 WeakPolarHBondContact O-CB 3.07Å; G50-C54 PolarHBondContact O-N 3.13Å; Y51-C54 PolarHBondContact O-N 3.17Å; C54-G57 PolarHBondContact O-N 3.42Å; C54-A58 PolarHBondContact O-N 2.9Å; C54-A58 VanDerWaalsContact O-N 3.08Å; C54-C120 PolarHBondContact SG-SG 3.3Å; C54-P121 VanDerWaalsContact SG-CD 3.56Å; C54-Y122 HydrophobicContact CB-CD2 3.7Å; C54-Y122 HydrophobicContact CB-CE2 4.18Å; C54-Y122 HydrophobicContact CB-CG 4.17Å
55F98.8Very high98Very high0 Ų041.7 Ų41.70%025%0.245CC..Hα-helixtrans-69-42.9-178.7-165.4-81.2000111.4Y51 A52 G57 A58 F59 V75 I96 L113 A116 H117 C120 L134Y51-F55 HydrophobicContact CD2-CB 4.26Å; Y51-F55 HydrophobicContact CE2-CB 4.37Å; Y51-F55 HydrophobicContact CE2-CD2 4.12Å; Y51-F55 VanDerWaalsContact O-CB 3.3Å; Y51-F55 WeakPolarHBondContact O-CB 3.39Å; Y51-F55 PolarHBondContact O-N 3.23Å; A52-F55 PolarHBondContact O-N 2.96Å; F55-G57 VanDerWaalsContact C-N 3.32Å; F55-G57 PolarHBondContact O-N 3.47Å; F55-A58 WeakPolarHBondContact O-CB 3.21Å; F55-A58 PolarHBondContact O-N 2.84Å; F55-F59 HydrophobicContact CE1-CB 4.4Å; F55-F59 WeakPolarHBondContact O-CB 3.38Å; F55-F59 PolarHBondContact O-N 3.1Å; F55-V75 HydrophobicContact CD1-CG1 4.16Å; F55-V75 HydrophobicContact CD1-CG2 4.1Å; F55-I96 HydrophobicContact CD1-CG2 3.72Å; F55-I96 HydrophobicContact CD2-CD1 3.61Å; F55-I96 HydrophobicContact CD2-CG1 4.47Å; F55-I96 HydrophobicContact CD2-CG2 4.5Å; F55-I96 HydrophobicContact CE1-CG2 3.58Å; F55-I96 HydrophobicContact CE2-CD1 3.55Å; F55-I96 HydrophobicContact CE2-CG2 4.36Å; F55-I96 HydrophobicContact CG-CD1 4.22Å; F55-I96 HydrophobicContact CG-CG2 4.2Å; F55-I96 HydrophobicContact CZ-CD1 4.14Å; F55-I96 HydrophobicContact CZ-CG2 3.92Å; F55-L113 HydrophobicContact CE1-CD1 3.6Å; F55-L113 HydrophobicContact CE1-CG 4.31Å; F55-L113 HydrophobicContact CZ-CD1 3.98Å; F55-L113 HydrophobicContact CZ-CG 4.19Å; F55-A116 HydrophobicContact CE1-CB 4.23Å; F55-A116 HydrophobicContact CZ-CB 4.05Å; F55-H117 HydrophobicContact CE2-CB 3.84Å; F55-H117 AromaticContact CE2-ND1 3.86Å; F55-H117 HydrophobicContact CZ-CB 4.26Å; F55-C120 HydrophobicContact CD2-CB 4.04Å; F55-L134 HydrophobicContact CE2-CD2 4.34Å; F55-L134 HydrophobicContact CZ-CD2 4.24Å
56N98.6Very high98Very high45 Ų4540.1 Ų40.124%0.24124%0.24CC..Hα-helixtrans-63.3-39.4177-159.525.4000111.9A52 A58 F59 D60 P73 V75A52-N56 WeakPolarHBondContact O-CB 3.42Å; A52-N56 PolarHBondContact O-N 3.45Å; N56-A58 VanDerWaalsContact C-N 3.33Å; N56-A58 PolarHBondContact O-N 3.46Å; N56-F59 PolarHBondContact O-N 3.17Å; N56-D60 WeakPolarHBondContact O-CB 3.44Å; N56-D60 PolarHBondContact O-N 3.23Å; N56-P73 PolarHBondContact ND2-O 3.08Å; N56-P73 WeakPolarHBondContact OD1-CB 3.27Å; N56-P73 PolarHBondContact OD1-O 2.74Å; N56-V75 HydrophobicContact CB-CB 4Å; N56-V75 HydrophobicContact CB-CG2 3.84Å; N56-V75 WeakPolarHBondContact OD1-CG2 3.49Å
57G98.1Very high97.8Very high45 Ų4545.9 Ų45.946%0.46426%0.262SS..Hα-helixtrans-61.3-39.9173.700000113.1S53 C54 F55 L61S53-G57 PolarHBondContact O-N 2.95Å; S53-G57 VanDerWaalsContact O-N 3.1Å; C54-G57 PolarHBondContact O-N 3.42Å; F55-G57 VanDerWaalsContact C-N 3.32Å; F55-G57 PolarHBondContact O-N 3.47Å; G57-L61 WeakPolarHBondContact O-CB 3.37Å; G57-L61 PolarHBondContact O-N 3.25Å
58A98.6Very high97.7Very high3 Ų344.4 Ų44.43%0.02526%0.257CS..Hα-helixtrans-65.7-44.517300000111.8C54 F55 N56 L61 I62 A116 F119 C120C54-A58 PolarHBondContact O-N 2.9Å; C54-A58 VanDerWaalsContact O-N 3.08Å; F55-A58 WeakPolarHBondContact O-CB 3.21Å; F55-A58 PolarHBondContact O-N 2.84Å; N56-A58 VanDerWaalsContact C-N 3.33Å; N56-A58 PolarHBondContact O-N 3.46Å; A58-L61 WeakPolarHBondContact O-CB 3.18Å; A58-L61 PolarHBondContact O-N 2.81Å; A58-I62 WeakPolarHBondContact O-CG1 3.49Å; A58-I62 PolarHBondContact O-N 3.45Å; A58-A116 HydrophobicContact CB-CB 4.36Å; A58-F119 HydrophobicContact CB-CD1 3.79Å; A58-C120 HydrophobicContact CB-CB 3.98Å
59F98.2Very high97.1Very high0 Ų052.5 Ų52.50%028%0.284CS..Hα-helixtrans-66.4-45.6-177.6-171.9-146.1000112.3F55 N56 L61 I62 L63 P73 V75 A98 I100 L113 A116 V136F55-F59 HydrophobicContact CE1-CB 4.4Å; F55-F59 WeakPolarHBondContact O-CB 3.38Å; F55-F59 PolarHBondContact O-N 3.1Å; N56-F59 PolarHBondContact O-N 3.17Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.01Å; F59-I62 PolarHBondContact O-N 2.94Å; F59-L63 HydrophobicContact CD1-CD1 4.14Å; F59-L63 HydrophobicContact CD2-CD1 4.05Å; F59-L63 HydrophobicContact CD2-CG 4.06Å; F59-L63 HydrophobicContact CE1-CD1 4.04Å; F59-L63 HydrophobicContact CE2-CD1 3.93Å; F59-L63 HydrophobicContact CE2-CD2 3.99Å; F59-L63 HydrophobicContact CE2-CG 3.89Å; F59-L63 HydrophobicContact CG-CD1 4.15Å; F59-L63 HydrophobicContact CZ-CD1 3.92Å; F59-L63 HydrophobicContact CZ-CD2 4.26Å; F59-L63 HydrophobicContact CZ-CG 4.31Å; F59-L63 VanDerWaalsContact O-CG 3.29Å; F59-L63 WeakPolarHBondContact O-CG 3.24Å; F59-L63 PolarHBondContact O-N 3.05Å; F59-P73 HydrophobicContact CD1-CB 3.7Å; F59-P73 HydrophobicContact CE1-CB 4.05Å; F59-V75 HydrophobicContact CD1-CG2 4.44Å; F59-A98 HydrophobicContact CD1-CB 4.23Å; F59-A98 HydrophobicContact CE1-CB 3.83Å; F59-I100 HydrophobicContact CD1-CG2 4.4Å; F59-I100 HydrophobicContact CE1-CG2 3.45Å; F59-I100 VanDerWaalsContact CE1-CG2 3.45Å; F59-I100 HydrophobicContact CZ-CD1 4.49Å; F59-I100 HydrophobicContact CZ-CG2 3.79Å; F59-L113 HydrophobicContact CD1-CD1 4.29Å; F59-L113 HydrophobicContact CD2-CD1 4.4Å; F59-L113 HydrophobicContact CE1-CD1 4.11Å; F59-L113 HydrophobicContact CE2-CB 4.35Å; F59-L113 HydrophobicContact CE2-CD1 4.25Å; F59-L113 HydrophobicContact CG-CD1 4.44Å; F59-L113 HydrophobicContact CZ-CD1 4.1Å; F59-A116 HydrophobicContact CB-CB 3.89Å; F59-A116 HydrophobicContact CD2-CB 4.05Å; F59-A116 HydrophobicContact CG-CB 4.37Å; F59-V136 HydrophobicContact CE1-CG2 4.46Å; F59-V136 HydrophobicContact CZ-CG2 4.19Å
60D97.2Very high96.7Very high51 Ų5155.4 Ų55.427%0.27329%0.291SS..Hα-helixtrans-56.9-41.4172.8179.454000112.1N56 K64 P73N56-D60 WeakPolarHBondContact O-CB 3.44Å; N56-D60 PolarHBondContact O-N 3.23Å; D60-K64 WeakPolarHBondContact O-CB 3.22Å; D60-K64 WeakPolarHBondContact O-CG 3.3Å; D60-K64 PolarHBondContact O-N 3.43Å; D60-K64 WeakPolarHBondContact OD1-CE 3.35Å; D60-K64 IonicContact OD1-NZ 3.29Å; D60-K64 PolarHBondContact OD1-NZ 3.14Å; D60-K64 WeakPolarHBondContact OD2-CE 3.28Å; D60-K64 IonicContact OD2-NZ 2.65Å; D60-K64 PolarHBondContact OD2-NZ 2.95Å; D60-P73 HydrophobicContact CB-CG 3.76Å
61L97.4Very high96.3Very high64 Ų6454.7 Ų54.734%0.33528%0.284SS..Hα-helixtrans-61.8-48.1175.517865.1000112G57 A58 F59 K64 Q65 F119G57-L61 WeakPolarHBondContact O-CB 3.37Å; G57-L61 PolarHBondContact O-N 3.25Å; A58-L61 WeakPolarHBondContact O-CB 3.18Å; A58-L61 PolarHBondContact O-N 2.81Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.01Å; L61-K64 PolarHBondContact O-N 3.2Å; L61-Q65 HydrophobicContact CD1-CG 4.4Å; L61-Q65 WeakPolarHBondContact O-CG 3.12Å; L61-Q65 PolarHBondContact O-N 3.39Å; L61-F119 HydrophobicContact CD2-CD1 4.4Å; L61-F119 HydrophobicContact CD2-CE1 3.58Å; L61-F119 HydrophobicContact CD2-CE2 4.29Å; L61-F119 HydrophobicContact CD2-CZ 3.51Å
62I97.9Very high96.1Very high8 Ų860.9 Ų60.94%0.04131%0.312CS..Hα-helixtrans-63.2-43.1179.9-66.7-61.2000111.1A58 F59 K64 Q65 N66 Y112 M115 A116A58-I62 WeakPolarHBondContact O-CG1 3.49Å; A58-I62 PolarHBondContact O-N 3.45Å; F59-I62 PolarHBondContact O-N 2.94Å; I62-K64 PolarHBondContact O-N 2.62Å; I62-Q65 PolarHBondContact O-N 2.89Å; I62-N66 PolarHBondContact O-N 2.97Å; I62-N66 PolarHBondContact O-ND2 3.16Å; I62-Y112 HydrophobicContact CG2-CD1 4.16Å; I62-Y112 HydrophobicContact CG2-CG 4.28Å; I62-M115 HydrophobicContact CD1-CB 4.31Å; I62-M115 HydrophobicContact CD1-CE 4.41Å; I62-M115 HydrophobicContact CG1-CB 4.36Å; I62-M115 HydrophobicContact CG2-CB 3.9Å; I62-M115 HydrophobicContact CG2-CE 4.23Å; I62-M115 HydrophobicContact CG2-SD 4.4Å; I62-A116 HydrophobicContact CG1-CB 4.32Å
63L96.9Very high96Very high0 Ų060.9 Ų60.90%031%0.31CS..Hα-helixtrans-58.4-47.7176.2-71.1166.5000111.1F59 Q65 N66 K67 V68 A71 P73 I100 I104 Y112F59-L63 HydrophobicContact CD1-CD1 4.14Å; F59-L63 HydrophobicContact CD2-CD1 4.05Å; F59-L63 HydrophobicContact CD2-CG 4.06Å; F59-L63 HydrophobicContact CE1-CD1 4.04Å; F59-L63 HydrophobicContact CE2-CD1 3.93Å; F59-L63 HydrophobicContact CE2-CD2 3.99Å; F59-L63 HydrophobicContact CE2-CG 3.89Å; F59-L63 HydrophobicContact CG-CD1 4.15Å; F59-L63 HydrophobicContact CZ-CD1 3.92Å; F59-L63 HydrophobicContact CZ-CD2 4.26Å; F59-L63 HydrophobicContact CZ-CG 4.31Å; F59-L63 VanDerWaalsContact O-CG 3.29Å; F59-L63 WeakPolarHBondContact O-CG 3.24Å; F59-L63 PolarHBondContact O-N 3.05Å; L63-Q65 PolarHBondContact O-N 3.17Å; L63-N66 CarbonylContact O-C 3.55Å; L63-N66 PolarHBondContact O-N 3.2Å; L63-N66 VanDerWaalsContact O-N 3.16Å; L63-K67 PolarHBondContact O-N 3.43Å; L63-V68 HydrophobicContact CB-CB 4.19Å; L63-V68 HydrophobicContact CD2-CB 4.08Å; L63-V68 HydrophobicContact CD2-CG1 4.18Å; L63-V68 HydrophobicContact CD2-CG2 4.25Å; L63-V68 PolarHBondContact O-N 3.44Å; L63-A71 HydrophobicContact CD1-CB 3.97Å; L63-P73 HydrophobicContact CD1-CB 3.98Å; L63-P73 HydrophobicContact CD1-CG 4.03Å; L63-I100 HydrophobicContact CD1-CG2 3.88Å; L63-I100 HydrophobicContact CD2-CD1 4.46Å; L63-I104 HydrophobicContact CD2-CD1 4.38Å; L63-Y112 HydrophobicContact CD2-CD2 3.87Å; L63-Y112 HydrophobicContact CD2-CG 4.46Å
64K95.8Very high95.9Very high124 Ų12463 Ų6354%0.53931%0.311SS..Hα-helixtrans-62.3-41.6177.2-75.1169.8178.8165.30113D60 L61 I62 N66 K67D60-K64 WeakPolarHBondContact O-CB 3.22Å; D60-K64 WeakPolarHBondContact O-CG 3.3Å; D60-K64 PolarHBondContact O-N 3.43Å; D60-K64 WeakPolarHBondContact OD1-CE 3.35Å; D60-K64 IonicContact OD1-NZ 3.29Å; D60-K64 PolarHBondContact OD1-NZ 3.14Å; D60-K64 WeakPolarHBondContact OD2-CE 3.28Å; D60-K64 IonicContact OD2-NZ 2.65Å; D60-K64 PolarHBondContact OD2-NZ 2.95Å; L61-K64 PolarHBondContact O-N 3.2Å; I62-K64 PolarHBondContact O-N 2.62Å; K64-N66 PolarHBondContact O-N 3.41Å; K64-K67 PolarHBondContact O-N 3.13Å
65Q97Very high95.9Very high118 Ų11862.2 Ų62.255%0.55131%0.305SS*.Hα-helixtrans-61.7-33.3176.1-75.2178.1-0.800112.2L61 I62 L63 K67L61-Q65 HydrophobicContact CD1-CG 4.4Å; L61-Q65 WeakPolarHBondContact O-CG 3.12Å; L61-Q65 PolarHBondContact O-N 3.39Å; I62-Q65 PolarHBondContact O-N 2.89Å; L63-Q65 PolarHBondContact O-N 3.17Å; Q65-K67 VanDerWaalsContact C-N 3.28Å; Q65-K67 PolarHBondContact O-N 3.07Å
66N96.6Very high95.9Very high55 Ų5565.9 Ų65.929%0.29433%0.327SS..THydrogen-bonded Turntrans-91.316.1176.2-67.9-79.8000113.3I62 L63 K64 V68 Y112I62-N66 PolarHBondContact O-N 2.97Å; I62-N66 PolarHBondContact O-ND2 3.16Å; L63-N66 CarbonylContact O-C 3.55Å; L63-N66 PolarHBondContact O-N 3.2Å; L63-N66 VanDerWaalsContact O-N 3.16Å; K64-N66 PolarHBondContact O-N 3.41Å; N66-V68 PolarHBondContact O-N 2.94Å; N66-Y112 HydrophobicContact CB-CD1 4.33Å; N66-Y112 HydrophobicContact CB-CE1 3.66Å; N66-Y112 HydrophobicContact CB-CE2 4.14Å
67K94.9Very high95.9Very high175 Ų17564.6 Ų64.676%0.76132%0.321SS*.THydrogen-bonded Turntrans63.117.8175.6-50.8175.5-178.2174.40114.8L63 K64 Q65 R69L63-K67 PolarHBondContact O-N 3.43Å; K64-K67 PolarHBondContact O-N 3.13Å; Q65-K67 VanDerWaalsContact C-N 3.28Å; Q65-K67 PolarHBondContact O-N 3.07Å; K67-R69 PolarHBondContact O-N 3.48Å
68V94.5Very high95.9Very high14 Ų1465 Ų659%0.08531%0.314CS..  trans-79.797.1168.7-168.70000107.4L63 N66 A71 I104 Y112L63-V68 HydrophobicContact CB-CB 4.19Å; L63-V68 HydrophobicContact CD2-CB 4.08Å; L63-V68 HydrophobicContact CD2-CG1 4.18Å; L63-V68 HydrophobicContact CD2-CG2 4.25Å; L63-V68 PolarHBondContact O-N 3.44Å; N66-V68 PolarHBondContact O-N 2.94Å; V68-A71 HydrophobicContact CG1-CB 3.9Å; V68-I104 HydrophobicContact CB-CG2 4.45Å; V68-I104 HydrophobicContact CG1-CG2 3.72Å; V68-I104 HydrophobicContact CG2-CG2 3.83Å; V68-Y112 HydrophobicContact CG2-CD2 4.36Å; V68-Y112 HydrophobicContact CG2-CE2 3.82Å
69R87.8Confident95.9Very high189 Ų18966.3 Ų66.371%0.71332%0.322SS*.  trans-96.8149.6-178.2-65.1-175.6177151.1-0.9110.3K67 A71 N102K67-R69 PolarHBondContact O-N 3.48Å; R69-A71 VanDerWaalsContact C-N 3.26Å; R69-A71 PolarHBondContact O-N 2.96Å; R69-N102 PolarHBondContact O-ND2 3.03Å
70D88.3Confident95.9Very high118 Ų11870.7 Ų70.763%0.63134%0.338SS*.SBendtrans64.326179.3-49.3-46.8000114.1H72 N102D70-H72 VanDerWaalsContact C-N 3.28Å; D70-H72 PolarHBondContact O-CD2 3.33Å; D70-H72 PolarHBondContact O-N 3.26Å; D70-N102 PolarHBondContact O-ND2 2.82Å
71A91.7Very high95.9Very high5 Ų572.2 Ų72.24%0.04135%0.346CS..  trans-74.2-18.4-174.700000114.6L63 V68 R69 K101 N102L63-A71 HydrophobicContact CD1-CB 3.97Å; V68-A71 HydrophobicContact CG1-CB 3.9Å; R69-A71 VanDerWaalsContact C-N 3.26Å; R69-A71 PolarHBondContact O-N 2.96Å; A71-K101 WeakPolarHBondContact CA-O 3.48Å; A71-K101 PolarHBondContact O-N 3.32Å; A71-N102 VanDerWaalsContact CA-ND2 3.26Å; A71-N102 WeakPolarHBondContact CA-ND2 3.46Å; A71-N102 PolarHBondContact N-ND2 2.8Å; A71-N102 VanDerWaalsContact N-ND2 3.17Å
72H92.7Very high95.8Very high130 Ų13072.6 Ų72.660%0.60235%0.346SS*.  trans40.857.3-179.8-58-67.2000113.6D70 E74D70-H72 VanDerWaalsContact C-N 3.28Å; D70-H72 PolarHBondContact O-CD2 3.33Å; D70-H72 PolarHBondContact O-N 3.26Å; H72-E74 PolarHBondContact O-N 3.14Å
73P96.7Very high95.7Very high17 Ų1779.7 Ų79.711%0.1138%0.384CS..  trans-62.8134-176.628.8-35.7000111N56 F59 D60 L63 T99 I100N56-P73 PolarHBondContact ND2-O 3.08Å; N56-P73 WeakPolarHBondContact OD1-CB 3.27Å; N56-P73 PolarHBondContact OD1-O 2.74Å; F59-P73 HydrophobicContact CD1-CB 3.7Å; F59-P73 HydrophobicContact CE1-CB 4.05Å; D60-P73 HydrophobicContact CB-CG 3.76Å; L63-P73 HydrophobicContact CD1-CB 3.98Å; L63-P73 HydrophobicContact CD1-CG 4.03Å; P73-T99 WeakPolarHBondContact CA-O 3.23Å; P73-I100 HydrophobicContact CB-CG2 3.77Å
74E97.9Very high95.6Very high130 Ų13081.5 Ų81.561%0.60739%0.394SS*.EExtended strand (participates in β ladder)trans-118.4135.3170.6-173176.2124.600108.2H72 A98 T99H72-E74 PolarHBondContact O-N 3.14Å; E74-A98 CarbonylContact O-C 3.46Å; E74-A98 VanDerWaalsContact O-CA 3.27Å; E74-A98 WeakPolarHBondContact O-CA 3.33Å; E74-T99 PolarHBondContact N-O 2.96Å; E74-T99 PolarHBondContact O-N 3.18Å
75V98.5Very high95.4Very high16 Ų1680.8 Ų80.810%0.09740%0.404CS..EExtended strand (participates in β ladder)trans-128.3120.2-179.8173.60000108.8F55 N56 F59 I96 A98F55-V75 HydrophobicContact CD1-CG1 4.16Å; F55-V75 HydrophobicContact CD1-CG2 4.1Å; N56-V75 HydrophobicContact CB-CB 4Å; N56-V75 HydrophobicContact CB-CG2 3.84Å; N56-V75 WeakPolarHBondContact OD1-CG2 3.49Å; F59-V75 HydrophobicContact CD1-CG2 4.44Å; V75-I96 HydrophobicContact CG1-CG2 3.94Å; V75-A98 HydrophobicContact CG2-CB 4.07Å
76T98.7Very high95.2Very high76 Ų7682 Ų8247%0.46642%0.415SS..EExtended strand (participates in β ladder)trans-97.3134.5167.2-64.90000108.8D97T76-D97 PolarHBondContact N-O 3.34Å; T76-D97 PolarHBondContact O-N 3.36Å
77L98.6Very high95Very high18 Ų1882.1 Ų82.19%0.09442%0.42CS..EExtended strand (participates in β ladder)trans-118.6113.3-179.7-151.6-78.9000109.3Y51 A52 V79 V94 S95 I96Y51-L77 HydrophobicContact CD1-CD1 4.09Å; Y51-L77 HydrophobicContact CD1-CG 4.48Å; Y51-L77 HydrophobicContact CG-CD1 4.3Å; Y51-L77 HydrophobicContact CG-CG 4.28Å; A52-L77 HydrophobicContact CB-CB 3.71Å; A52-L77 HydrophobicContact CB-CG 4.49Å; L77-V79 HydrophobicContact CD1-CG2 3.36Å; L77-V94 HydrophobicContact CD1-CB 4.43Å; L77-V94 HydrophobicContact CD1-CG1 3.45Å; L77-V94 VanDerWaalsContact CD1-CG1 3.45Å; L77-V94 HydrophobicContact CD1-CG2 4.15Å; L77-V94 HydrophobicContact CD2-CG1 3.32Å; L77-V94 HydrophobicContact CG-CG1 4.04Å; L77-S95 WeakPolarHBondContact CA-O 3.49Å; L77-S95 WeakPolarHBondContact CD2-O 3.37Å; L77-I96 HydrophobicContact CD2-CB 4.02Å; L77-I96 HydrophobicContact CD2-CD1 4.29Å; L77-I96 HydrophobicContact CD2-CG1 3.15Å
78T98.7Very high94.9Very high55 Ų5583.4 Ų83.434%0.33743%0.428SS..EExtended strand (participates in β ladder)trans-94.5114.7174.1-59.60000108.5R80 V94 S95T78-R80 HydrophobicContact CG2-CG 4.43Å; T78-V94 CarbonylContact O-C 3.5Å; T78-V94 VanDerWaalsContact O-CA 3.27Å; T78-V94 WeakPolarHBondContact O-CA 3.39Å; T78-S95 PolarHBondContact N-O 2.8Å; T78-S95 PolarHBondContact O-N 2.85Å
79V98.4Very high94.9Very high29 Ų2985.9 Ų85.918%0.17645%0.446CS..EExtended strand (participates in β ladder)trans-102.9131.9174.1-179.70000109.1E44 F47 A48 L77 L92 V94E44-V79 HydrophobicContact CB-CG1 4.43Å; F47-V79 HydrophobicContact CD1-CG1 4.02Å; F47-V79 HydrophobicContact CD1-CG2 3.8Å; F47-V79 HydrophobicContact CE1-CG2 4.48Å; A48-V79 HydrophobicContact CB-CB 4.29Å; A48-V79 HydrophobicContact CB-CG2 3.5Å; L77-V79 HydrophobicContact CD1-CG2 3.36Å; V79-L92 HydrophobicContact CG1-CD1 4.45Å; V79-L92 HydrophobicContact CG1-CD2 4.04Å; V79-V94 HydrophobicContact CG2-CG2 4.29Å
80R98.1Very high95.2Very high93 Ų9380.2 Ų80.235%0.35143%0.434SS..EExtended strand (participates in β ladder)trans-114.8138.3174.7-53.6-179.5-171.388.30.8109T78 E82 L92 S93T78-R80 HydrophobicContact CG2-CG 4.43Å; R80-E82 HydrophobicContact CB-CG 3.95Å; R80-L92 VanDerWaalsContact O-CA 3.23Å; R80-L92 WeakPolarHBondContact O-CA 3.22Å; R80-L92 WeakPolarHBondContact O-CD2 3.43Å; R80-S93 PolarHBondContact N-O 2.99Å; R80-S93 PolarHBondContact O-N 3.08Å; R80-S93 VanDerWaalsContact O-N 3.08Å
81L96.6Very high95.6Very high83 Ų8377.8 Ų77.844%0.43542%0.418SS..EExtended strand (participates in β ladder)trans-101.5117.3167.3-177.970.4000107.1E44 P90 L92E44-L81 HydrophobicContact CG-CB 4.2Å; L81-P90 HydrophobicContact CD1-CB 3.76Å; L81-P90 HydrophobicContact CD1-CG 3.92Å; L81-P90 HydrophobicContact CG-CB 4.19Å; L81-L92 HydrophobicContact CB-CD2 4.28Å; L81-L92 HydrophobicContact CD1-CD2 3.72Å
82E95.8Very high95.9Very high72 Ų7279.7 Ų79.734%0.33643%0.427SS..EExtended strand (participates in β ladder)trans-125.7148.8-170-60.8179.412100109.9R80 P90 K91 S93R80-E82 HydrophobicContact CB-CG 3.95Å; E82-P90 CarbonylContact O-C 3.46Å; E82-P90 VanDerWaalsContact O-CA 3.22Å; E82-P90 WeakPolarHBondContact O-CA 3.33Å; E82-P90 VanDerWaalsContact O-CB 3.22Å; E82-P90 WeakPolarHBondContact O-CB 3.48Å; E82-K91 HydrophobicContact CB-CG 4.42Å; E82-K91 PolarHBondContact N-O 2.75Å; E82-K91 PolarHBondContact O-N 2.82Å; E82-S93 VanDerWaalsContact CD-OG 3.28Å; E82-S93 WeakPolarHBondContact OE2-CB 3.5Å; E82-S93 PolarHBondContact OE2-OG 2.86Å
83D95.3Very high96.2Very high156 Ų15673.9 Ų73.983%0.83440%0.401SS*.  trans-62.2142.2167.4-66-30.8000109.3
84D94.7Very high96.3Very high39 Ų3973 Ų7321%0.20940%0.396CS..  trans-107.1113.7176.2-164.18.6000109.7D86 S87 S89 K91D84-D86 PolarHBondContact O-N 2.93Å; D84-D86 VanDerWaalsContact O-N 3.12Å; D84-S87 PolarHBondContact O-N 3.47Å; D84-S89 VanDerWaalsContact CB-O 3.32Å; D84-S89 WeakPolarHBondContact CB-O 3.29Å; D84-K91 HydrophobicContact CB-CB 4.16Å; D84-K91 HydrophobicContact CB-CD 4.13Å; D84-K91 HydrophobicContact CB-CG 4.02Å; D84-K91 WeakPolarHBondContact OD1-CE 3.41Å; D84-K91 IonicContact OD1-NZ 2.81Å; D84-K91 PolarHBondContact OD1-NZ 3.33Å
85S92.2Very high96.3Very high109 Ų10967.3 Ų67.376%0.76237%0.37SS*.THydrogen-bonded Turntrans-63.1-20.3-178.452.20000113.5
86D92.2Very high96.3Very high144 Ų14466.5 Ų66.577%0.7737%0.365SS*.THydrogen-bonded Turntrans-102.32.9-175.1-55.8-45.4000112.7D84D84-D86 PolarHBondContact O-N 2.93Å; D84-D86 VanDerWaalsContact O-N 3.12Å
87S92.7Very high96.3Very high56 Ų5665.3 Ų65.339%0.39236%0.356SS..SBendtrans-148.7153.8-176.9-176.30000112.9D84 S89D84-S87 PolarHBondContact O-N 3.47Å; S87-S89 PolarHBondContact O-N 3.49Å; S87-S89 PolarHBondContact OG-N 2.83Å; S87-S89 PolarHBondContact OG-OG 2.78Å
88E93Very high96.3Very high203 Ų20364.5 Ų64.595%0.94935%0.351SS*.SBendtrans-74.2-10.7171.3-66.1-71.8140.400112.8
89S93.5Very high96.2Very high65 Ų6564 Ų6446%0.45535%0.349SS..SBendtrans-106.714417965.20000111.5D84 S87D84-S89 VanDerWaalsContact CB-O 3.32Å; D84-S89 WeakPolarHBondContact CB-O 3.29Å; S87-S89 PolarHBondContact O-N 3.49Å; S87-S89 PolarHBondContact OG-N 2.83Å; S87-S89 PolarHBondContact OG-OG 2.78Å
90P95Very high96.1Very high71 Ų7162.7 Ų62.746%0.46134%0.341SS..  trans-65.2159.1175.330.7-36.6000111.7L81 E82L81-P90 HydrophobicContact CD1-CB 3.76Å; L81-P90 HydrophobicContact CD1-CG 3.92Å; L81-P90 HydrophobicContact CG-CB 4.19Å; E82-P90 CarbonylContact O-C 3.46Å; E82-P90 VanDerWaalsContact O-CA 3.22Å; E82-P90 WeakPolarHBondContact O-CA 3.33Å; E82-P90 VanDerWaalsContact O-CB 3.22Å; E82-P90 WeakPolarHBondContact O-CB 3.48Å
91K96.8Very high95.6Very high67 Ų6763.7 Ų63.729%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-116.4168.7173.667.4177.6165.9-148.90111.8E82 D84E82-K91 HydrophobicContact CB-CG 4.42Å; E82-K91 PolarHBondContact N-O 2.75Å; E82-K91 PolarHBondContact O-N 2.82Å; D84-K91 HydrophobicContact CB-CB 4.16Å; D84-K91 HydrophobicContact CB-CD 4.13Å; D84-K91 HydrophobicContact CB-CG 4.02Å; D84-K91 WeakPolarHBondContact OD1-CE 3.41Å; D84-K91 IonicContact OD1-NZ 2.81Å; D84-K91 PolarHBondContact OD1-NZ 3.33Å
92L97.9Very high94.7Very high45 Ų4562.4 Ų62.424%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-105151.1172.7-60.2179000111E44 F47 V79 R80 L81 I130E44-L92 HydrophobicContact CG-CD2 4.45Å; F47-L92 HydrophobicContact CD1-CD1 3.96Å; F47-L92 HydrophobicContact CE1-CD1 4.15Å; F47-L92 HydrophobicContact CG-CD1 4.33Å; V79-L92 HydrophobicContact CG1-CD1 4.45Å; V79-L92 HydrophobicContact CG1-CD2 4.04Å; R80-L92 VanDerWaalsContact O-CA 3.23Å; R80-L92 WeakPolarHBondContact O-CA 3.22Å; R80-L92 WeakPolarHBondContact O-CD2 3.43Å; L81-L92 HydrophobicContact CB-CD2 4.28Å; L81-L92 HydrophobicContact CD1-CD2 3.72Å; L92-I130 HydrophobicContact CB-CG2 4.29Å; L92-I130 VanDerWaalsContact O-CB 3.26Å; L92-I130 WeakPolarHBondContact O-CB 3.5Å; L92-I130 VanDerWaalsContact O-CG2 3.27Å; L92-I130 WeakPolarHBondContact O-CG2 3.47Å
93S98.1Very high93.8Very high7 Ų766.2 Ų66.25%0.04937%0.369CS..EExtended strand (participates in β ladder)trans-133.7158.3159.265.80000110.6R80 E82R80-S93 PolarHBondContact N-O 2.99Å; R80-S93 PolarHBondContact O-N 3.08Å; R80-S93 VanDerWaalsContact O-N 3.08Å; E82-S93 VanDerWaalsContact CD-OG 3.28Å; E82-S93 WeakPolarHBondContact OE2-CB 3.5Å; E82-S93 PolarHBondContact OE2-OG 2.86Å
94V98.7Very high93.7Very high0 Ų060.1 Ų60.10%034%0.336CS..EExtended strand (participates in β ladder)trans-134.6139-170.9172.10000111.4F47 Y51 L77 T78 V79 I96 I130 N131 V132 D133F47-V94 HydrophobicContact CE1-CG2 3.96Å; Y51-V94 HydrophobicContact CD1-CG1 4.39Å; Y51-V94 HydrophobicContact CD1-CG2 4.34Å; Y51-V94 HydrophobicContact CE1-CG1 4.14Å; Y51-V94 HydrophobicContact CE1-CG2 4.25Å; L77-V94 HydrophobicContact CD1-CB 4.43Å; L77-V94 HydrophobicContact CD1-CG1 3.45Å; L77-V94 VanDerWaalsContact CD1-CG1 3.45Å; L77-V94 HydrophobicContact CD1-CG2 4.15Å; L77-V94 HydrophobicContact CD2-CG1 3.32Å; L77-V94 HydrophobicContact CG-CG1 4.04Å; T78-V94 CarbonylContact O-C 3.5Å; T78-V94 VanDerWaalsContact O-CA 3.27Å; T78-V94 WeakPolarHBondContact O-CA 3.39Å; V79-V94 HydrophobicContact CG2-CG2 4.29Å; V94-I96 HydrophobicContact CG1-CG1 4.05Å; V94-I130 HydrophobicContact CG2-CD1 3.88Å; V94-N131 PolarHBondContact N-O 3.1Å; V94-V132 HydrophobicContact CB-CG1 4.39Å; V94-V132 HydrophobicContact CB-CG2 4.44Å; V94-V132 HydrophobicContact CG1-CG1 4.21Å; V94-V132 CarbonylContact O-C 3.59Å; V94-V132 WeakPolarHBondContact O-CA 3.32Å; V94-D133 PolarHBondContact O-N 3.26Å
95S98.7Very high93.7Very high9 Ų960.8 Ų60.86%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-114.4125.3160-176.60000109.4L77 T78 D97 N135L77-S95 WeakPolarHBondContact CA-O 3.49Å; L77-S95 WeakPolarHBondContact CD2-O 3.37Å; T78-S95 PolarHBondContact N-O 2.8Å; T78-S95 PolarHBondContact O-N 2.85Å; S95-D97 PolarHBondContact OG-OD2 2.89Å; S95-N135 PolarHBondContact OG-ND2 3.02Å
96I98.8Very high93.8Very high0 Ų059.1 Ų59.10%032%0.324CS..EExtended strand (participates in β ladder)trans-99.6112.8172-66.3159.2000107.5Y51 F55 V75 L77 V94 V132 D133 L134 N135Y51-I96 HydrophobicContact CE2-CD1 4.29Å; F55-I96 HydrophobicContact CD1-CG2 3.72Å; F55-I96 HydrophobicContact CD2-CD1 3.61Å; F55-I96 HydrophobicContact CD2-CG1 4.47Å; F55-I96 HydrophobicContact CD2-CG2 4.5Å; F55-I96 HydrophobicContact CE1-CG2 3.58Å; F55-I96 HydrophobicContact CE2-CD1 3.55Å; F55-I96 HydrophobicContact CE2-CG2 4.36Å; F55-I96 HydrophobicContact CG-CD1 4.22Å; F55-I96 HydrophobicContact CG-CG2 4.2Å; F55-I96 HydrophobicContact CZ-CD1 4.14Å; F55-I96 HydrophobicContact CZ-CG2 3.92Å; V75-I96 HydrophobicContact CG1-CG2 3.94Å; L77-I96 HydrophobicContact CD2-CB 4.02Å; L77-I96 HydrophobicContact CD2-CD1 4.29Å; L77-I96 HydrophobicContact CD2-CG1 3.15Å; V94-I96 HydrophobicContact CG1-CG1 4.05Å; I96-V132 HydrophobicContact CD1-CG1 3.53Å; I96-V132 HydrophobicContact CG1-CG1 4.22Å; I96-D133 PolarHBondContact N-O 3.24Å; I96-L134 HydrophobicContact CB-CD2 3.85Å; I96-L134 HydrophobicContact CD1-CD2 3.42Å; I96-L134 VanDerWaalsContact CD1-CD2 3.42Å; I96-L134 HydrophobicContact CG1-CD2 4.16Å; I96-L134 HydrophobicContact CG2-CD2 4.3Å; I96-N135 PolarHBondContact O-N 2.77Å
97D98.7Very high94Very high51 Ų5159.6 Ų59.627%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-114.2103.1179.4-63.3-76.4000109T76 S95 N135T76-D97 PolarHBondContact N-O 3.34Å; T76-D97 PolarHBondContact O-N 3.36Å; S95-D97 PolarHBondContact OG-OD2 2.89Å; D97-N135 WeakPolarHBondContact OD1-CB 3.22Å; D97-N135 PolarHBondContact OD1-ND2 3.21Å
98A98.3Very high94.2Very high0 Ų060.6 Ų60.60%032%0.32CS..EExtended strand (participates in β ladder)trans-97.1147.9-179.600000111.7F59 E74 V75 L113 N135 V136 N137F59-A98 HydrophobicContact CD1-CB 4.23Å; F59-A98 HydrophobicContact CE1-CB 3.83Å; E74-A98 CarbonylContact O-C 3.46Å; E74-A98 VanDerWaalsContact O-CA 3.27Å; E74-A98 WeakPolarHBondContact O-CA 3.33Å; V75-A98 HydrophobicContact CG2-CB 4.07Å; A98-L113 HydrophobicContact CB-CD1 3.54Å; A98-N135 PolarHBondContact N-O 3.12Å; A98-V136 HydrophobicContact CB-CB 4.11Å; A98-V136 HydrophobicContact CB-CG2 4.02Å; A98-V136 CarbonylContact O-C 3.56Å; A98-V136 VanDerWaalsContact O-CA 3.28Å; A98-V136 WeakPolarHBondContact O-CA 3.22Å; A98-N137 PolarHBondContact O-N 3.15Å
99T97.3Very high94.3Very high46 Ų4650.9 Ų50.928%0.28228%0.275SS..EExtended strand (participates in β ladder)trans-131.5135.3169-60.10000108.8P73 E74 N137 V139P73-T99 WeakPolarHBondContact CA-O 3.23Å; E74-T99 PolarHBondContact N-O 2.96Å; E74-T99 PolarHBondContact O-N 3.18Å; T99-N137 WeakPolarHBondContact CA-O 3.5Å; T99-V139 HydrophobicContact CG2-CB 4.36Å; T99-V139 HydrophobicContact CG2-CG1 3.76Å; T99-V139 HydrophobicContact CG2-CG2 3.62Å
100I95Very high94.6Very high1 Ų152.8 Ų52.81%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-129.1144.3173.852.9170.4000110.5F59 L63 P73 I104 A109 V136 N137 V138 V139F59-I100 HydrophobicContact CD1-CG2 4.4Å; F59-I100 HydrophobicContact CE1-CG2 3.45Å; F59-I100 VanDerWaalsContact CE1-CG2 3.45Å; F59-I100 HydrophobicContact CZ-CD1 4.49Å; F59-I100 HydrophobicContact CZ-CG2 3.79Å; L63-I100 HydrophobicContact CD1-CG2 3.88Å; L63-I100 HydrophobicContact CD2-CD1 4.46Å; P73-I100 HydrophobicContact CB-CG2 3.77Å; I100-I104 HydrophobicContact CD1-CD1 3.42Å; I100-I104 VanDerWaalsContact CD1-CD1 3.42Å; I100-I104 HydrophobicContact CD1-CG1 3.78Å; I100-A109 HydrophobicContact CD1-CB 3.8Å; I100-V136 HydrophobicContact CG1-CG2 4.32Å; I100-N137 PolarHBondContact N-O 3.49Å; I100-N137 VanDerWaalsContact N-O 3.07Å; I100-V138 HydrophobicContact CD1-CG2 4.15Å; I100-V138 HydrophobicContact CG1-CG2 4.16Å; I100-V139 WeakPolarHBondContact O-CG2 3.35Å; I100-V139 PolarHBondContact O-N 2.81Å
101K89Confident94.7Very high114 Ų11455.3 Ų55.350%0.49628%0.28SS..EExtended strand (participates in β ladder)trans-89.9154.5166.8-62.2-178179.9-178.50108.3A71 V139A71-K101 WeakPolarHBondContact CA-O 3.48Å; A71-K101 PolarHBondContact O-N 3.32Å; K101-V139 HydrophobicContact CG-CG2 3.95Å
102N76.1Confident94.8Very high56 Ų5652.9 Ų52.930%0.29927%0.269SS..SBendtrans106.8156.7178.4-67.5-40.6000115.9R69 D70 A71 I104 V138R69-N102 PolarHBondContact O-ND2 3.03Å; D70-N102 PolarHBondContact O-ND2 2.82Å; A71-N102 VanDerWaalsContact CA-ND2 3.26Å; A71-N102 WeakPolarHBondContact CA-ND2 3.46Å; A71-N102 PolarHBondContact N-ND2 2.8Å; A71-N102 VanDerWaalsContact N-ND2 3.17Å; N102-I104 VanDerWaalsContact C-N 3.28Å; N102-I104 PolarHBondContact O-N 2.9Å; N102-V138 VanDerWaalsContact O-CG1 3.24Å; N102-V138 WeakPolarHBondContact O-CG1 3.43Å
103V78.6Confident94.8Very high152 Ų15251 Ų5192%0.92126%0.259SS*.SBendtrans-76.469.2178.2-161.80000111.2
104I92Very high94.8Very high27 Ų2754.9 Ų54.914%0.13828%0.276CS..  trans-109.6158.1155.769171.4000109.7L63 V68 I100 N102 E108 A109 Y112 V138L63-I104 HydrophobicContact CD2-CD1 4.38Å; V68-I104 HydrophobicContact CB-CG2 4.45Å; V68-I104 HydrophobicContact CG1-CG2 3.72Å; V68-I104 HydrophobicContact CG2-CG2 3.83Å; I100-I104 HydrophobicContact CD1-CD1 3.42Å; I100-I104 VanDerWaalsContact CD1-CD1 3.42Å; I100-I104 HydrophobicContact CD1-CG1 3.78Å; N102-I104 VanDerWaalsContact C-N 3.28Å; N102-I104 PolarHBondContact O-N 2.9Å; I104-E108 HydrophobicContact CB-CB 4.3Å; I104-E108 HydrophobicContact CD1-CB 4.16Å; I104-A109 HydrophobicContact CD1-CB 3.95Å; I104-A109 HydrophobicContact CG1-CB 4.37Å; I104-Y112 HydrophobicContact CD1-CD2 4.03Å; I104-Y112 HydrophobicContact CD1-CE2 4.2Å; I104-V138 HydrophobicContact CG1-CG2 4.39Å
105S94.2Very high94.8Very high53 Ų5358.2 Ų58.237%0.37129%0.293SS..  trans-68.6152.4173.862.20000111.2E107 E108 A109S105-E107 PolarHBondContact O-N 3.43Å; S105-E108 PolarHBondContact N-OE2 2.84Å; S105-E108 PolarHBondContact O-N 2.91Å; S105-E108 VanDerWaalsContact O-N 3.13Å; S105-E108 WeakPolarHBondContact OG-CB 3.46Å; S105-E108 WeakPolarHBondContact OG-CG 3.27Å; S105-E108 PolarHBondContact OG-N 3.23Å; S105-E108 PolarHBondContact OG-OE2 2.9Å; S105-A109 PolarHBondContact O-N 2.84Å
106Q95.1Very high94.8Very high75 Ų7557.8 Ų57.835%0.3529%0.29SS..Hα-helixtrans-54.9-39.1172-178.561.933.700111.5E108 A109 E110 V136Q106-E108 PolarHBondContact O-N 2.91Å; Q106-A109 WeakPolarHBondContact O-CB 3.26Å; Q106-A109 PolarHBondContact O-N 3.49Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.07Å; Q106-E110 PolarHBondContact NE2-OE1 2.93Å; Q106-E110 WeakPolarHBondContact O-CG 3.27Å; Q106-E110 PolarHBondContact O-N 2.97Å; Q106-V136 PolarHBondContact NE2-O 3.38Å
107E96.3Very high94.8Very high153 Ų15359 Ų5972%0.71530%0.296SS*.Hα-helixtrans-62.4-42176.4-174.3-177169.800112.4S105 K111S105-E107 PolarHBondContact O-N 3.43Å; E107-K111 WeakPolarHBondContact O-CB 3.33Å; E107-K111 PolarHBondContact O-N 2.9Å
108E96.4Very high94.8Very high77 Ų7761.4 Ų61.436%0.3631%0.305SS..Hα-helixtrans-65.2-41174.3-76.6170.4121.900111.8I104 S105 Q106 K111 Y112I104-E108 HydrophobicContact CB-CB 4.3Å; I104-E108 HydrophobicContact CD1-CB 4.16Å; S105-E108 PolarHBondContact N-OE2 2.84Å; S105-E108 PolarHBondContact O-N 2.91Å; S105-E108 VanDerWaalsContact O-N 3.13Å; S105-E108 WeakPolarHBondContact OG-CB 3.46Å; S105-E108 WeakPolarHBondContact OG-CG 3.27Å; S105-E108 PolarHBondContact OG-N 3.23Å; S105-E108 PolarHBondContact OG-OE2 2.9Å; Q106-E108 PolarHBondContact O-N 2.91Å; E108-K111 PolarHBondContact O-N 3.48Å; E108-Y112 HydrophobicContact CB-CD2 4.43Å; E108-Y112 HydrophobicContact CB-CE2 3.92Å; E108-Y112 WeakPolarHBondContact O-CB 3.5Å; E108-Y112 WeakPolarHBondContact O-CD2 3.22Å; E108-Y112 PolarHBondContact O-N 3.04Å
109A96.8Very high94.8Very high0 Ų066.4 Ų66.40%033%0.327CS..Hα-helixtrans-59.7-48.2177.100000111.2I100 I104 S105 Q106 Y112 L113 V136 V138I100-A109 HydrophobicContact CD1-CB 3.8Å; I104-A109 HydrophobicContact CD1-CB 3.95Å; I104-A109 HydrophobicContact CG1-CB 4.37Å; S105-A109 PolarHBondContact O-N 2.84Å; Q106-A109 WeakPolarHBondContact O-CB 3.26Å; Q106-A109 PolarHBondContact O-N 3.49Å; A109-Y112 PolarHBondContact O-N 2.87Å; A109-L113 WeakPolarHBondContact O-CB 3.21Å; A109-L113 PolarHBondContact O-N 2.97Å; A109-V136 HydrophobicContact CB-CG1 3.88Å; A109-V136 HydrophobicContact CB-CG2 3.97Å; A109-V138 HydrophobicContact CB-CG2 3.55Å
110E97.9Very high94.9Very high104 Ų10464.2 Ų64.249%0.48631%0.314SS..Hα-helixtrans-61.4-44.5177.3-73167.4-173.200111.7Q106 Y112 L113 Q114 V136Q106-E110 WeakPolarHBondContact CG-OE1 3.07Å; Q106-E110 PolarHBondContact NE2-OE1 2.93Å; Q106-E110 WeakPolarHBondContact O-CG 3.27Å; Q106-E110 PolarHBondContact O-N 2.97Å; E110-Y112 PolarHBondContact O-N 2.9Å; E110-L113 WeakPolarHBondContact O-CB 3.45Å; E110-L113 PolarHBondContact O-N 2.77Å; E110-Q114 PolarHBondContact O-N 3.06Å; E110-V136 HydrophobicContact CB-CG1 4.41Å; E110-V136 HydrophobicContact CG-CG1 3.77Å
111K98.2Very high95Very high125 Ų12568.1 Ų68.154%0.54334%0.339SS..Hα-helixtrans-58-47175.1176.4-176.9173.7-175.60111.7E107 E108 Q114 M115E107-K111 WeakPolarHBondContact O-CB 3.33Å; E107-K111 PolarHBondContact O-N 2.9Å; E108-K111 PolarHBondContact O-N 3.48Å; K111-Q114 PolarHBondContact O-N 2.96Å; K111-M115 HydrophobicContact CG-SD 4.4Å; K111-M115 WeakPolarHBondContact O-CG 3.45Å; K111-M115 PolarHBondContact O-N 3.26Å; K111-M115 VanDerWaalsContact O-N 3.08Å
112Y98Very high95.5Very high16 Ų1667.1 Ų67.16%0.06333%0.333CS..Hα-helixtrans-70.9-32.7-179.6-61.8-31.4000112.4I62 L63 N66 V68 I104 E108 A109 E110 M115 A116I62-Y112 HydrophobicContact CG2-CD1 4.16Å; I62-Y112 HydrophobicContact CG2-CG 4.28Å; L63-Y112 HydrophobicContact CD2-CD2 3.87Å; L63-Y112 HydrophobicContact CD2-CG 4.46Å; N66-Y112 HydrophobicContact CB-CD1 4.33Å; N66-Y112 HydrophobicContact CB-CE1 3.66Å; N66-Y112 HydrophobicContact CB-CE2 4.14Å; V68-Y112 HydrophobicContact CG2-CD2 4.36Å; V68-Y112 HydrophobicContact CG2-CE2 3.82Å; I104-Y112 HydrophobicContact CD1-CD2 4.03Å; I104-Y112 HydrophobicContact CD1-CE2 4.2Å; E108-Y112 HydrophobicContact CB-CD2 4.43Å; E108-Y112 HydrophobicContact CB-CE2 3.92Å; E108-Y112 WeakPolarHBondContact O-CB 3.5Å; E108-Y112 WeakPolarHBondContact O-CD2 3.22Å; E108-Y112 PolarHBondContact O-N 3.04Å; A109-Y112 PolarHBondContact O-N 2.87Å; E110-Y112 PolarHBondContact O-N 2.9Å; Y112-M115 HydrophobicContact CD1-SD 3.99Å; Y112-M115 PolarHBondContact O-N 3.17Å; Y112-A116 PolarHBondContact O-N 2.88Å
113L98.3Very high96.6Very high5 Ų564.5 Ų64.53%0.02632%0.319CS..Hα-helixtrans-62.3-44.8172.5-166.479000111.1F55 F59 A98 A109 E110 M115 A116 H117 L134 V136F55-L113 HydrophobicContact CE1-CD1 3.6Å; F55-L113 HydrophobicContact CE1-CG 4.31Å; F55-L113 HydrophobicContact CZ-CD1 3.98Å; F55-L113 HydrophobicContact CZ-CG 4.19Å; F59-L113 HydrophobicContact CD1-CD1 4.29Å; F59-L113 HydrophobicContact CD2-CD1 4.4Å; F59-L113 HydrophobicContact CE1-CD1 4.11Å; F59-L113 HydrophobicContact CE2-CB 4.35Å; F59-L113 HydrophobicContact CE2-CD1 4.25Å; F59-L113 HydrophobicContact CG-CD1 4.44Å; F59-L113 HydrophobicContact CZ-CD1 4.1Å; A98-L113 HydrophobicContact CB-CD1 3.54Å; A109-L113 WeakPolarHBondContact O-CB 3.21Å; A109-L113 PolarHBondContact O-N 2.97Å; E110-L113 WeakPolarHBondContact O-CB 3.45Å; E110-L113 PolarHBondContact O-N 2.77Å; L113-M115 PolarHBondContact O-N 3.4Å; L113-A116 WeakPolarHBondContact O-CB 3.37Å; L113-A116 PolarHBondContact O-N 2.92Å; L113-A116 VanDerWaalsContact O-N 3.16Å; L113-H117 PolarHBondContact O-N 2.8Å; L113-L134 HydrophobicContact CD2-CB 3.85Å; L113-V136 HydrophobicContact CB-CG1 4.28Å; L113-V136 HydrophobicContact CD1-CB 4.27Å; L113-V136 HydrophobicContact CD2-CB 3.91Å; L113-V136 HydrophobicContact CD2-CG1 4.04Å; L113-V136 HydrophobicContact CG-CB 4.46Å
114Q98.6Very high97.5Very high88 Ų8863.3 Ų63.341%0.41130%0.301SS..Hα-helixtrans-62.1-43.4175.7-172.164.843.100111.5E110 K111 A116 H117 E118E110-Q114 PolarHBondContact O-N 3.06Å; K111-Q114 PolarHBondContact O-N 2.96Å; Q114-A116 VanDerWaalsContact C-N 3.26Å; Q114-A116 PolarHBondContact O-N 2.86Å; Q114-H117 WeakPolarHBondContact O-CB 3.46Å; Q114-H117 PolarHBondContact O-N 2.94Å; Q114-H117 VanDerWaalsContact O-N 3.13Å; Q114-E118 PolarHBondContact NE2-OE1 3.47Å; Q114-E118 PolarHBondContact O-N 2.86Å; Q114-E118 VanDerWaalsContact O-N 3.1Å
115M98.7Very high97.8Very high71 Ų7165.7 Ų65.735%0.3533%0.325SS..Hα-helixtrans-60.6-37.2175.2-70.817465.900112.1I62 K111 Y112 L113 E118 F119I62-M115 HydrophobicContact CD1-CB 4.31Å; I62-M115 HydrophobicContact CD1-CE 4.41Å; I62-M115 HydrophobicContact CG1-CB 4.36Å; I62-M115 HydrophobicContact CG2-CB 3.9Å; I62-M115 HydrophobicContact CG2-CE 4.23Å; I62-M115 HydrophobicContact CG2-SD 4.4Å; K111-M115 HydrophobicContact CG-SD 4.4Å; K111-M115 WeakPolarHBondContact O-CG 3.45Å; K111-M115 PolarHBondContact O-N 3.26Å; K111-M115 VanDerWaalsContact O-N 3.08Å; Y112-M115 HydrophobicContact CD1-SD 3.99Å; Y112-M115 PolarHBondContact O-N 3.17Å; L113-M115 PolarHBondContact O-N 3.4Å; M115-E118 PolarHBondContact O-N 2.86Å; M115-F119 WeakPolarHBondContact O-CB 3.48Å; M115-F119 PolarHBondContact O-N 2.83Å; M115-F119 VanDerWaalsContact O-N 3.16Å
116A98.7Very high98Very high0 Ų064 Ų640%031%0.313CS..Hα-helixtrans-66.2-37.8174.800000112F55 A58 F59 I62 Y112 L113 Q114 F119 C120F55-A116 HydrophobicContact CE1-CB 4.23Å; F55-A116 HydrophobicContact CZ-CB 4.05Å; A58-A116 HydrophobicContact CB-CB 4.36Å; F59-A116 HydrophobicContact CB-CB 3.89Å; F59-A116 HydrophobicContact CD2-CB 4.05Å; F59-A116 HydrophobicContact CG-CB 4.37Å; I62-A116 HydrophobicContact CG1-CB 4.32Å; Y112-A116 PolarHBondContact O-N 2.88Å; L113-A116 WeakPolarHBondContact O-CB 3.37Å; L113-A116 PolarHBondContact O-N 2.92Å; L113-A116 VanDerWaalsContact O-N 3.16Å; Q114-A116 VanDerWaalsContact C-N 3.26Å; Q114-A116 PolarHBondContact O-N 2.86Å; A116-F119 PolarHBondContact O-N 3.21Å; A116-F119 VanDerWaalsContact O-N 3.15Å; A116-C120 VanDerWaalsContact O-CB 3.25Å; A116-C120 WeakPolarHBondContact O-CB 3.5Å; A116-C120 PolarHBondContact O-N 2.81Å
117H98.7Very high98.1Very high26 Ų2666 Ų6612%0.1232%0.322CS..Hα-helixtrans-62.6-40.7175.2-17069.1000112.7F55 L113 Q114 F119 S123 L134F55-H117 HydrophobicContact CE2-CB 3.84Å; F55-H117 AromaticContact CE2-ND1 3.86Å; F55-H117 HydrophobicContact CZ-CB 4.26Å; L113-H117 PolarHBondContact O-N 2.8Å; Q114-H117 WeakPolarHBondContact O-CB 3.46Å; Q114-H117 PolarHBondContact O-N 2.94Å; Q114-H117 VanDerWaalsContact O-N 3.13Å; H117-F119 VanDerWaalsContact C-N 3.27Å; H117-F119 PolarHBondContact O-N 3.22Å; H117-S123 WeakPolarHBondContact ND1-CB 3.29Å; H117-S123 PolarHBondContact ND1-OG 2.61Å; H117-S123 VanDerWaalsContact ND1-OG 3.14Å; H117-S123 WeakPolarHBondContact O-CB 3.21Å; H117-L134 HydrophobicContact CB-CD1 3.86Å; H117-L134 HydrophobicContact CB-CD2 4.45Å
118E98.4Very high98.1Very high101 Ų10162.5 Ų62.547%0.47233%0.327SS..Hα-helixtrans-69.9-24.6174.5-61.6-56.6143.200113.1Q114 M115 K124Q114-E118 PolarHBondContact NE2-OE1 3.47Å; Q114-E118 PolarHBondContact O-N 2.86Å; Q114-E118 VanDerWaalsContact O-N 3.1Å; M115-E118 PolarHBondContact O-N 2.86Å; E118-K124 WeakPolarHBondContact O-CD 3.27Å
119F98.5Very high98.1Very high105 Ų10564.9 Ų64.946%0.46134%0.342SS..Hα-helixtrans-88.2-39.1-178.5-173-92.6000113.1A58 L61 M115 A116 H117 P121A58-F119 HydrophobicContact CB-CD1 3.79Å; L61-F119 HydrophobicContact CD2-CD1 4.4Å; L61-F119 HydrophobicContact CD2-CE1 3.58Å; L61-F119 HydrophobicContact CD2-CE2 4.29Å; L61-F119 HydrophobicContact CD2-CZ 3.51Å; M115-F119 WeakPolarHBondContact O-CB 3.48Å; M115-F119 PolarHBondContact O-N 2.83Å; M115-F119 VanDerWaalsContact O-N 3.16Å; A116-F119 PolarHBondContact O-N 3.21Å; A116-F119 VanDerWaalsContact O-N 3.15Å; H117-F119 VanDerWaalsContact C-N 3.27Å; H117-F119 PolarHBondContact O-N 3.22Å; F119-P121 WeakPolarHBondContact O-CD 3.44Å
120C98.7Very high98.1Very high0 Ų066.3 Ų66.30%035%0.349CS..  trans-59.8121-171.8177.30000112.3C54 F55 A58 A116 Y122 S123 K124C54-C120 PolarHBondContact SG-SG 3.3Å; F55-C120 HydrophobicContact CD2-CB 4.04Å; A58-C120 HydrophobicContact CB-CB 3.98Å; A116-C120 VanDerWaalsContact O-CB 3.25Å; A116-C120 WeakPolarHBondContact O-CB 3.5Å; A116-C120 PolarHBondContact O-N 2.81Å; C120-Y122 VanDerWaalsContact C-N 3.3Å; C120-Y122 PolarHBondContact O-N 2.86Å; C120-S123 WeakPolarHBondContact O-CB 3.48Å; C120-S123 PolarHBondContact O-N 2.91Å; C120-S123 VanDerWaalsContact O-N 3.13Å; C120-K124 WeakPolarHBondContact O-CG 3.23Å; C120-K124 PolarHBondContact O-N 2.72Å
121P98.5Very high98Very high82 Ų8266.8 Ų66.853%0.53236%0.355SS..Hα-helixtrans-53.1-39.5177.5-3134.5000115.2C54 F119 K124 A125C54-P121 VanDerWaalsContact SG-CD 3.56Å; F119-P121 WeakPolarHBondContact O-CD 3.44Å; P121-K124 PolarHBondContact O-N 3.08Å; P121-A125 WeakPolarHBondContact O-CB 3.48Å; P121-A125 PolarHBondContact O-N 3.21Å
122Y98.6Very high98Very high93 Ų9362.6 Ų62.637%0.36534%0.34SS..Hα-helixtrans-66.6-44.1177.8-86.1-122.1000111.4F47 Y51 C54 C120 K124 A125 T126F47-Y122 HydrophobicContact CD2-CE1 4.46Å; F47-Y122 HydrophobicContact CE2-CD1 4.16Å; F47-Y122 HydrophobicContact CE2-CE1 4.41Å; Y51-Y122 HydrophobicContact CD1-CD1 4.47Å; Y51-Y122 HydrophobicContact CD2-CD1 4.26Å; Y51-Y122 HydrophobicContact CD2-CG 4.13Å; Y51-Y122 AromaticContact CG-CD1 3.89Å; Y51-Y122 HydrophobicContact CG-CD1 3.89Å; Y51-Y122 HydrophobicContact CG-CG 4.23Å; C54-Y122 HydrophobicContact CB-CD2 3.7Å; C54-Y122 HydrophobicContact CB-CE2 4.18Å; C54-Y122 HydrophobicContact CB-CG 4.17Å; C120-Y122 VanDerWaalsContact C-N 3.3Å; C120-Y122 PolarHBondContact O-N 2.86Å; Y122-K124 VanDerWaalsContact C-N 3.34Å; Y122-K124 PolarHBondContact O-N 3.07Å; Y122-A125 PolarHBondContact O-N 2.79Å; Y122-A125 VanDerWaalsContact O-N 3.16Å; Y122-T126 PolarHBondContact O-N 2.92Å; Y122-T126 PolarHBondContact O-OG1 3.19Å
123S98.7Very high98Very high2 Ų265.9 Ų65.91%0.01436%0.358CS..Hα-helixtrans-58.3-46.6175.5-59.70000111.9Y51 H117 C120 A125 T126 Q127Y51-S123 VanDerWaalsContact CE2-OG 3.24Å; Y51-S123 WeakPolarHBondContact CE2-OG 3.25Å; Y51-S123 WeakPolarHBondContact OH-CA 3.13Å; Y51-S123 WeakPolarHBondContact OH-CB 3.4Å; Y51-S123 PolarHBondContact OH-OG 2.83Å; H117-S123 WeakPolarHBondContact ND1-CB 3.29Å; H117-S123 PolarHBondContact ND1-OG 2.61Å; H117-S123 VanDerWaalsContact ND1-OG 3.14Å; H117-S123 WeakPolarHBondContact O-CB 3.21Å; C120-S123 WeakPolarHBondContact O-CB 3.48Å; C120-S123 PolarHBondContact O-N 2.91Å; C120-S123 VanDerWaalsContact O-N 3.13Å; S123-A125 VanDerWaalsContact C-N 3.33Å; S123-A125 PolarHBondContact O-N 3.45Å; S123-T126 PolarHBondContact O-N 3.05Å; S123-T126 PolarHBondContact O-OG1 2.87Å; S123-Q127 PolarHBondContact O-N 2.88Å
124K98.6Very high98.1Very high127 Ų12767.8 Ų67.855%0.55237%0.368SS*.Hα-helixtrans-62.8-37.8176.1-65.4174.266.7175.90112.7E118 C120 P121 Y122 T126E118-K124 WeakPolarHBondContact O-CD 3.27Å; C120-K124 WeakPolarHBondContact O-CG 3.23Å; C120-K124 PolarHBondContact O-N 2.72Å; P121-K124 PolarHBondContact O-N 3.08Å; Y122-K124 VanDerWaalsContact C-N 3.34Å; Y122-K124 PolarHBondContact O-N 3.07Å; K124-T126 VanDerWaalsContact C-N 3.31Å
125A98.4Very high98Very high76 Ų7667 Ų6763%0.62837%0.367SS*.Hα-helixtrans-69.4-29.2179.200000112.7P121 Y122 S123P121-A125 WeakPolarHBondContact O-CB 3.48Å; P121-A125 PolarHBondContact O-N 3.21Å; Y122-A125 PolarHBondContact O-N 2.79Å; Y122-A125 VanDerWaalsContact O-N 3.16Å; S123-A125 VanDerWaalsContact C-N 3.33Å; S123-A125 PolarHBondContact O-N 3.45Å
126T98Very high98Very high19 Ų1963.9 Ų63.912%0.11735%0.352CS..Hα-helixtrans-99.6-4.9-179.662.40000114.4F47 Y122 S123 K124 G128 N129 I130F47-T126 HydrophobicContact CE2-CG2 4.28Å; F47-T126 HydrophobicContact CZ-CG2 3.78Å; Y122-T126 PolarHBondContact O-N 2.92Å; Y122-T126 PolarHBondContact O-OG1 3.19Å; S123-T126 PolarHBondContact O-N 3.05Å; S123-T126 PolarHBondContact O-OG1 2.87Å; K124-T126 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 3.08Å; T126-N129 PolarHBondContact O-N 2.83Å; T126-I130 HydrophobicContact CG2-CD1 3.93Å; T126-I130 PolarHBondContact O-N 3.2Å
127Q97.4Very high97.9Very high117 Ų11768.3 Ų68.355%0.54738%0.376SS..THydrogen-bonded Turntrans-55.9128.4-175.4-169.6172.527.400111.6S123 N129S123-Q127 PolarHBondContact O-N 2.88Å; Q127-N129 VanDerWaalsContact C-N 3.25Å; Q127-N129 PolarHBondContact O-N 3.48Å
128G96.3Very high97.7Very high79 Ų7969 Ų6981%0.81438%0.382SS*.THydrogen-bonded Turntrans80.2-5.8179.900000115.5T126T126-G128 PolarHBondContact O-N 3.08Å
129N95.6Very high97.4Very high126 Ų12666.7 Ų66.767%0.67437%0.374SS*.THydrogen-bonded Turntrans-106.2-28.3-179.5-62.3-45.1000113.4T126 Q127T126-N129 PolarHBondContact O-N 2.83Å; Q127-N129 VanDerWaalsContact C-N 3.25Å; Q127-N129 PolarHBondContact O-N 3.48Å
130I96.4Very high96.5Very high30 Ų3072.4 Ų72.415%0.15441%0.41CS..SBendtrans-132.7153.3-179.371179.3000110.8L92 V94 T126 V132L92-I130 HydrophobicContact CB-CG2 4.29Å; L92-I130 VanDerWaalsContact O-CB 3.26Å; L92-I130 WeakPolarHBondContact O-CB 3.5Å; L92-I130 VanDerWaalsContact O-CG2 3.27Å; L92-I130 WeakPolarHBondContact O-CG2 3.47Å; V94-I130 HydrophobicContact CG2-CD1 3.88Å; T126-I130 HydrophobicContact CG2-CD1 3.93Å; T126-I130 PolarHBondContact O-N 3.2Å; I130-V132 HydrophobicContact CD1-CG2 4.11Å; I130-V132 HydrophobicContact CG1-CG2 3.78Å
131N96.8Very high96.4Very high115 Ų11576 Ų7662%0.61543%0.43SS*.EExtended strand (participates in β ladder)trans-73.8134167.7-66.8-28.8000109.7V94V94-N131 PolarHBondContact N-O 3.1Å
132V98.4Very high96.3Very high36 Ų3675.7 Ų75.722%0.21843%0.425CS..EExtended strand (participates in β ladder)trans-131111.8176.4-172.40000109V94 I96 I130 L134V94-V132 HydrophobicContact CB-CG1 4.39Å; V94-V132 HydrophobicContact CB-CG2 4.44Å; V94-V132 HydrophobicContact CG1-CG1 4.21Å; V94-V132 CarbonylContact O-C 3.59Å; V94-V132 WeakPolarHBondContact O-CA 3.32Å; I96-V132 HydrophobicContact CD1-CG1 3.53Å; I96-V132 HydrophobicContact CG1-CG1 4.22Å; I130-V132 HydrophobicContact CD1-CG2 4.11Å; I130-V132 HydrophobicContact CG1-CG2 3.78Å; V132-L134 HydrophobicContact CG1-CD2 4.19Å
133D98.5Very high96.2Very high85 Ų8574.7 Ų74.746%0.45543%0.428SS..EExtended strand (participates in β ladder)trans-86.6139.2172.6-58-45.1000109.6V94 I96V94-D133 PolarHBondContact O-N 3.26Å; I96-D133 PolarHBondContact N-O 3.24Å
134L98.5Very high96Very high45 Ų4579 Ų7924%0.23645%0.452CS..EExtended strand (participates in β ladder)trans-120.9120.3-178.8-64.6-176.6000110.1F55 I96 L113 H117 V132F55-L134 HydrophobicContact CE2-CD2 4.34Å; F55-L134 HydrophobicContact CZ-CD2 4.24Å; I96-L134 HydrophobicContact CB-CD2 3.85Å; I96-L134 HydrophobicContact CD1-CD2 3.42Å; I96-L134 VanDerWaalsContact CD1-CD2 3.42Å; I96-L134 HydrophobicContact CG1-CD2 4.16Å; I96-L134 HydrophobicContact CG2-CD2 4.3Å; L113-L134 HydrophobicContact CD2-CB 3.85Å; H117-L134 HydrophobicContact CB-CD1 3.86Å; H117-L134 HydrophobicContact CB-CD2 4.45Å; V132-L134 HydrophobicContact CG1-CD2 4.19Å
135N98.5Very high95.9Very high72 Ų7276 Ų7639%0.38545%0.446SS..EExtended strand (participates in β ladder)trans-130.5142.4175.1-52.8-64000109.9S95 I96 D97 A98S95-N135 PolarHBondContact OG-ND2 3.02Å; I96-N135 PolarHBondContact O-N 2.77Å; D97-N135 WeakPolarHBondContact OD1-CB 3.22Å; D97-N135 PolarHBondContact OD1-ND2 3.21Å; A98-N135 PolarHBondContact N-O 3.12Å
136V98Very high95.7Very high6 Ų676 Ų764%0.03643%0.434CS..EExtended strand (participates in β ladder)trans-138.4136.5169.857.30000110.2F59 A98 I100 Q106 A109 E110 L113F59-V136 HydrophobicContact CE1-CG2 4.46Å; F59-V136 HydrophobicContact CZ-CG2 4.19Å; A98-V136 HydrophobicContact CB-CB 4.11Å; A98-V136 HydrophobicContact CB-CG2 4.02Å; A98-V136 CarbonylContact O-C 3.56Å; A98-V136 VanDerWaalsContact O-CA 3.28Å; A98-V136 WeakPolarHBondContact O-CA 3.22Å; I100-V136 HydrophobicContact CG1-CG2 4.32Å; Q106-V136 PolarHBondContact NE2-O 3.38Å; A109-V136 HydrophobicContact CB-CG1 3.88Å; A109-V136 HydrophobicContact CB-CG2 3.97Å; E110-V136 HydrophobicContact CB-CG1 4.41Å; E110-V136 HydrophobicContact CG-CG1 3.77Å; L113-V136 HydrophobicContact CB-CG1 4.28Å; L113-V136 HydrophobicContact CD1-CB 4.27Å; L113-V136 HydrophobicContact CD2-CB 3.91Å; L113-V136 HydrophobicContact CD2-CG1 4.04Å; L113-V136 HydrophobicContact CG-CB 4.46Å
137N96.2Very high95.5Very high92 Ų9280.1 Ų80.149%0.49246%0.457SS..EExtended strand (participates in β ladder)trans-113.8127.2172.3-63.6-50.6000109.7A98 T99 I100A98-N137 PolarHBondContact O-N 3.15Å; T99-N137 WeakPolarHBondContact CA-O 3.5Å; I100-N137 PolarHBondContact N-O 3.49Å; I100-N137 VanDerWaalsContact N-O 3.07Å
138V95Very high95.4Very high42 Ų4277.2 Ų77.226%0.25545%0.45SS..EExtended strand (participates in β ladder)trans-85.6122166-174.10000108I100 N102 I104 A109I100-V138 HydrophobicContact CD1-CG2 4.15Å; I100-V138 HydrophobicContact CG1-CG2 4.16Å; N102-V138 VanDerWaalsContact O-CG1 3.24Å; N102-V138 WeakPolarHBondContact O-CG1 3.43Å; I104-V138 HydrophobicContact CG1-CG2 4.39Å; A109-V138 HydrophobicContact CB-CG2 3.55Å
139V91.9Very high95.3Very high52 Ų5277.1 Ų77.132%0.31542%0.419SS..EExtended strand (participates in β ladder)trans-113.2146.9177.1-61.50000110.6T99 I100 K101T99-V139 HydrophobicContact CG2-CB 4.36Å; T99-V139 HydrophobicContact CG2-CG1 3.76Å; T99-V139 HydrophobicContact CG2-CG2 3.62Å; I100-V139 WeakPolarHBondContact O-CG2 3.35Å; I100-V139 PolarHBondContact O-N 2.81Å; K101-V139 HydrophobicContact CG-CG2 3.95Å
140D80.1Confident95.3Very high224 Ų22472.6 Ų72.6100%1.19840%0.396SS*.  trans-67.20176.2-65.3-36.4000112.8

Retrieved 140 of 140 residues in 560.6 ms (Link to these results)

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