A0A077Z3P5_TRITR Loading...

ILEI/PANDER domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z3P5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low34.7Very low228 Ų228159.7 Ų159.7100%1.12383%0.834SS**  097.80-74.5172.9176.600108.2
2H34.9Very low34.8Very low194 Ų194161.8 Ų161.890%0.89883%0.831SS**  trans-87.7108.6177.5-89.5-83.8000109.2T4H2-T4 PolarHBondContact O-N 3.21Å
3F35.8Very low34.5Very low201 Ų201162.8 Ų162.888%0.88283%0.83SS**  trans-85.9100.6168.5-91.3-94.6000108.8S5F3-S5 PolarHBondContact O-N 3.44Å
4T38.5Very low34.8Very low124 Ų124158.9 Ų158.976%0.76182%0.817SS**  trans-73.4106.3168.650.30000108.9H2 R6H2-T4 PolarHBondContact O-N 3.21Å; T4-R6 PolarHBondContact O-N 3.21Å; T4-R6 VanDerWaalsContact O-N 3.15Å
5S36.1Very low34.8Very low111 Ų111154.6 Ų154.678%0.77681%0.807SS**  trans-63.7108.2172.91800000110.1F3 K7F3-S5 PolarHBondContact O-N 3.44Å; S5-K7 PolarHBondContact O-N 3.24Å
6R37.4Very low34.9Very low232 Ų232160.1 Ų160.188%0.87581%0.814SS**  trans-72.5103.7167.1-75.1-175.1177.3-159.5-0.3107.8T4 C8T4-R6 PolarHBondContact O-N 3.21Å; T4-R6 VanDerWaalsContact O-N 3.15Å; R6-C8 PolarHBondContact O-N 3.21Å; R6-C8 VanDerWaalsContact O-N 3.09Å
7K36.2Very low35Very low196 Ų196162.9 Ų162.985%0.85282%0.819SS**  trans-62.4105.2167.8-78.2178.8175.7176.70109S5 N9S5-K7 PolarHBondContact O-N 3.24Å; K7-N9 PolarHBondContact O-N 3.14Å; K7-N9 VanDerWaalsContact O-N 3.12Å
8C29.1Very low35.2Very low117 Ų117158.2 Ų158.279%0.79180%0.804SS**  trans-68.8102.3165-75.30000108.6R6 C10R6-C8 PolarHBondContact O-N 3.21Å; R6-C8 VanDerWaalsContact O-N 3.09Å; C8-C10 VanDerWaalsContact C-N 3.35Å; C8-C10 PolarHBondContact O-N 3.12Å; C8-C10 VanDerWaalsContact O-N 3.14Å
9N30.4Very low35.7Very low144 Ų144157.9 Ų157.977%0.7780%0.8SS**  trans-82.481.6174.3-15925.5000108.7K7 S11K7-N9 PolarHBondContact O-N 3.14Å; K7-N9 VanDerWaalsContact O-N 3.12Å; N9-S11 VanDerWaalsContact C-N 3.3Å; N9-S11 PolarHBondContact O-N 3.09Å
10C33.3Very low35.8Very low112 Ų112161.8 Ų161.876%0.75780%0.804SS**  trans-77.384.5170-73.70000108.9C8 F12C8-C10 VanDerWaalsContact C-N 3.35Å; C8-C10 PolarHBondContact O-N 3.12Å; C8-C10 VanDerWaalsContact O-N 3.14Å; C10-F12 PolarHBondContact O-N 3.15Å
11S32.5Very low36.5Very low98 Ų98159.5 Ų159.569%0.68580%0.803SS**  trans-72.986.1163.6-58.40000108.2N9 H13N9-S11 VanDerWaalsContact C-N 3.3Å; N9-S11 PolarHBondContact O-N 3.09Å; S11-H13 PolarHBondContact O-N 3.05Å; S11-H13 VanDerWaalsContact O-N 3.17Å
12F35Very low37.8Very low184 Ų184154 Ų15481%0.80778%0.775SS**  trans-73106.8175.6-150.2-99.6000108.6C10 V14C10-F12 PolarHBondContact O-N 3.15Å; F12-V14 VanDerWaalsContact C-N 3.29Å; F12-V14 HydrophobicContact CD1-CG2 4.2Å; F12-V14 PolarHBondContact O-N 2.99Å
13H31.7Very low40Very low175 Ų175152.4 Ų152.481%0.8177%0.767SS**  trans-73.186.4175-148.6-82.9000107.7S11 S15S11-H13 PolarHBondContact O-N 3.05Å; S11-H13 VanDerWaalsContact O-N 3.17Å; H13-S15 PolarHBondContact O-N 3.03Å
14V38.9Very low42.4Very low108 Ų108144.4 Ų144.466%0.65573%0.734SS**  trans-59.9105.7170.9174.50000107F12 R16F12-V14 VanDerWaalsContact C-N 3.29Å; F12-V14 HydrophobicContact CD1-CG2 4.2Å; F12-V14 PolarHBondContact O-N 2.99Å; V14-R16 PolarHBondContact O-N 3.13Å
15S34.8Very low44.8Very low95 Ų95146.2 Ų146.266%0.66473%0.726SS**  trans-54.6125.1175.3-79.90000108.7H13 K17H13-S15 PolarHBondContact O-N 3.03Å; S15-K17 PolarHBondContact O-N 2.95Å
16R36Very low47.4Very low242 Ų242144.6 Ų144.691%0.91371%0.712SS**  trans-64.148.4176.5-70.7-179.7173.1179.8-2.2113V14 S18V14-R16 PolarHBondContact O-N 3.13Å; R16-S18 PolarHBondContact O-N 2.76Å
17K37.2Very low49.8Very low208 Ų208135.3 Ų135.390%0.90468%0.683SS**  trans-76.250.1151.5-75.8-174.1177.2178.70108.7S15S15-K17 PolarHBondContact O-N 2.95Å
18S38.7Very low52.1Low79 Ų79132.4 Ų132.455%0.55267%0.672SS**  trans-80.3114.3168.51730000106.5R16 R20R16-S18 PolarHBondContact O-N 2.76Å; S18-R20 PolarHBondContact O-N 3.22Å
19Q43.3Very low54.7Low153 Ų153128.5 Ų128.572%0.71564%0.643SS**  trans60.644.2149-56.2173.3-10.600116.6S21Q19-S21 PolarHBondContact O-N 3.17Å; Q19-S21 VanDerWaalsContact O-N 3.07Å
20R39.3Very low57Low235 Ų235128.8 Ų128.889%0.88764%0.64SS**  trans-65.2113.2153.6-166.6172.1-172.2165.61.7105.7S18 E22S18-R20 PolarHBondContact O-N 3.22Å; R20-E22 VanDerWaalsContact C-N 3.34Å; R20-E22 PolarHBondContact O-N 3.3Å
21S50.1Low59.5Low113 Ų113132.4 Ų132.479%0.7965%0.646SS**  trans-55.2102.7170.9177.50000106.8Q19 H23Q19-S21 PolarHBondContact O-N 3.17Å; Q19-S21 VanDerWaalsContact O-N 3.07Å; S21-H23 PolarHBondContact O-N 2.95Å
22E65.2Low62Low114 Ų114130.4 Ų130.453%0.53363%0.625SS.*  trans-66.9129.4173.2-69.9-171.2167.200106.6R20 I24R20-E22 VanDerWaalsContact C-N 3.34Å; R20-E22 PolarHBondContact O-N 3.3Å; E22-I24 VanDerWaalsContact C-N 3.31Å; E22-I24 WeakPolarHBondContact O-CG1 3.4Å; E22-I24 PolarHBondContact O-N 2.9Å
23H81Confident64.5Low159 Ų159121.7 Ų121.774%0.73659%0.587SS**  trans-70.592176.9-178.3-76.9000108.9S21 R25S21-H23 PolarHBondContact O-N 2.95Å; H23-R25 PolarHBondContact O-N 2.61Å
24I86.9Confident66.5Low34 Ų34114.6 Ų114.617%0.17456%0.561CS.*  trans-72.7113.4178.5-60.2-172.9000108.2E22 I67 N73 V91 R94E22-I24 VanDerWaalsContact C-N 3.31Å; E22-I24 WeakPolarHBondContact O-CG1 3.4Å; E22-I24 PolarHBondContact O-N 2.9Å; I24-I67 HydrophobicContact CG2-CG2 4.36Å; I24-N73 WeakPolarHBondContact CG2-ND2 3.39Å; I24-V91 HydrophobicContact CD1-CB 3.81Å; I24-V91 HydrophobicContact CD1-CG1 3.4Å; I24-V91 VanDerWaalsContact CD1-CG1 3.4Å; I24-V91 WeakPolarHBondContact CD1-O 3.42Å; I24-V91 HydrophobicContact CG2-CB 4.21Å; I24-V91 HydrophobicContact CG2-CG1 4.21Å; I24-R94 HydrophobicContact CD1-CG 4.28Å; I24-R94 HydrophobicContact CG1-CG 4.19Å
25R88.5Confident67.6Low161 Ų161113.6 Ų113.661%0.60856%0.564SS**  trans-77.7152.2177.5-59.5177.1-175.4166.70.5109.8H23 T72 N73H23-R25 PolarHBondContact O-N 2.61Å; R25-T72 HydrophobicContact CB-CG2 4.39Å; R25-N73 PolarHBondContact N-ND2 2.92Å; R25-N73 PolarHBondContact N-OD1 3.14Å; R25-N73 PolarHBondContact O-ND2 3.27Å
26T89.3Confident69.1Low77 Ų77115.5 Ų115.547%0.47257%0.566SS.*  trans-127141.9168.2610000108.6V66 I67T26-V66 WeakPolarHBondContact CA-O 3.1Å; T26-I67 HydrophobicContact CG2-CD1 3.58Å
27S87.9Confident71Confident37 Ų37108.3 Ų108.326%0.25954%0.544SS..BIsolated β-bridgetrans-124.1148.2172.161.40000111V66 T72S27-V66 PolarHBondContact N-O 3.3Å; S27-V66 VanDerWaalsContact N-O 3.11Å; S27-V66 PolarHBondContact O-N 3.1Å; S27-V66 WeakPolarHBondContact OG-CB 3.13Å; S27-T72 PolarHBondContact OG-OG1 2.93Å
28E84.2Confident73.3Confident135 Ų135107.3 Ų107.363%0.63154%0.542SS*.  trans-90.9116.5173-63.6-175.5169.500107.6R65E28-R65 IonicContact OE1-CZ 3.07Å; E28-R65 IonicContact OE1-NE 2.73Å; E28-R65 IonicContact OE1-NH2 3.23Å; E28-R65 PolarHBondContact OE1-NH2 3.37Å
29D84.4Confident75.8Confident35 Ų35105.2 Ų105.219%0.18753%0.527CS..  trans-14093.1178.9-172.3-34.4000107.1E31 K32 C33 V66D29-E31 PolarHBondContact O-N 3.46Å; D29-E31 PolarHBondContact OD1-N 3.26Å; D29-K32 HydrophobicContact CB-CB 4.23Å; D29-K32 HydrophobicContact CB-CD 4.37Å; D29-K32 HydrophobicContact CB-CG 4.46Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 PolarHBondContact OD1-N 3.47Å; D29-K32 WeakPolarHBondContact OD2-CD 3.34Å; D29-K32 WeakPolarHBondContact OD2-CE 3.05Å; D29-K32 WeakPolarHBondContact OD2-CG 3.29Å; D29-K32 IonicContact OD2-NZ 3.88Å; D29-K32 PolarHBondContact OD2-NZ 3.44Å; D29-C33 PolarHBondContact O-N 3.38Å; D29-V66 HydrophobicContact CB-CG2 3.62Å
30H79.2Confident78Confident150 Ų150104.5 Ų104.569%0.69452%0.524SS*.Hα-helixtrans-66.8-25.4-175.5-69-69.6000112.5G34H30-G34 WeakPolarHBondContact O-CA 3.43Å; H30-G34 PolarHBondContact O-N 3.16Å
31E84.6Confident80.2Confident189 Ų189100.5 Ų100.588%0.88352%0.52SS*.Hα-helixtrans-71.6-41.7176.8-63.3-176.3174.600110.9D29D29-E31 PolarHBondContact O-N 3.46Å; D29-E31 PolarHBondContact OD1-N 3.26Å
32K86.1Confident82.1Confident56 Ų56100.8 Ų100.824%0.24351%0.507CS..Hα-helixtrans-76.2-47.9178.4-69.1-179.2-172132.70113.1D29 Y59 V66D29-K32 HydrophobicContact CB-CB 4.23Å; D29-K32 HydrophobicContact CB-CD 4.37Å; D29-K32 HydrophobicContact CB-CG 4.46Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 PolarHBondContact OD1-N 3.47Å; D29-K32 WeakPolarHBondContact OD2-CD 3.34Å; D29-K32 WeakPolarHBondContact OD2-CE 3.05Å; D29-K32 WeakPolarHBondContact OD2-CG 3.29Å; D29-K32 IonicContact OD2-NZ 3.88Å; D29-K32 PolarHBondContact OD2-NZ 3.44Å; K32-Y59 HydrophobicContact CB-CD1 4.29Å; K32-Y59 HydrophobicContact CB-CD2 4.02Å; K32-Y59 HydrophobicContact CB-CE1 4.12Å; K32-Y59 HydrophobicContact CB-CE2 3.88Å; K32-Y59 HydrophobicContact CB-CG 4.23Å; K32-Y59 HydrophobicContact CD-CD1 3.79Å; K32-Y59 HydrophobicContact CD-CE1 4.25Å; K32-Y59 HydrophobicContact CD-CG 3.95Å; K32-Y59 HydrophobicContact CG-CD1 3.95Å; K32-Y59 HydrophobicContact CG-CE1 3.87Å; K32-Y59 HydrophobicContact CG-CG 4.28Å; K32-Y59 VanDerWaalsContact O-CE2 3.3Å; K32-Y59 WeakPolarHBondContact O-CE2 3.48Å; K32-Y59 PolarHBondContact O-OH 2.95Å; K32-V66 HydrophobicContact CB-CG2 4.4Å; K32-V66 HydrophobicContact CD-CG2 4.35Å
33C88Confident83.4Confident1 Ų198.9 Ų98.91%0.00750%0.497CS..Hα-helixtrans-91.9-16.7-171.9-55.50000113D29 C61 G64 V66 K207D29-C33 PolarHBondContact O-N 3.38Å; C33-C61 WeakPolarHBondContact CA-SG 3.5Å; C33-C61 HydrophobicContact CB-CB 3.75Å; C33-C61 WeakPolarHBondContact CB-SG 3.13Å; C33-C61 WeakPolarHBondContact SG-CB 3.23Å; C33-C61 CovalentContact SG-SG 2.04Å; C33-C61 PolarHBondContact SG-SG 3.19Å; C33-G64 WeakPolarHBondContact CB-O 3.44Å; C33-V66 WeakPolarHBondContact SG-CG2 3.49Å; C33-V66 PolarHBondContact SG-N 2.89Å; C33-K207 WeakPolarHBondContact O-CE 3.49Å; C33-K207 PolarHBondContact O-NZ 3.27Å
34G72.6Confident84.1Confident26 Ų2691.5 Ų91.527%0.26846%0.463SS..  trans59.2-178.2175.500000114.3H30H30-G34 WeakPolarHBondContact O-CA 3.43Å; H30-G34 PolarHBondContact O-N 3.16Å
35A62.9Low84.4Confident87 Ų8790.2 Ų90.272%0.71946%0.456SS*.SBendtrans-55.1148.6-179.600000113.3M37 K207A35-M37 PolarHBondContact O-N 3.38Å; A35-K207 PolarHBondContact O-NZ 2.75Å
36L66.5Low84.8Confident135 Ų13582.6 Ų82.671%0.70743%0.428SS*.  trans-65.291.7179.7-62.7169.3000109.3E38L36-E38 PolarHBondContact O-N 2.81Å
37M75.8Confident85.1Confident91 Ų9179.2 Ų79.245%0.44841%0.407SS..PPolyproline II helixtrans-64.6121.7161.6168.4-179.3-84.200106.9A35 L45 K207A35-M37 PolarHBondContact O-N 3.38Å; M37-L45 HydrophobicContact CB-CD1 3.79Å; M37-L45 HydrophobicContact CB-CD2 4.15Å; M37-L45 HydrophobicContact CG-CD1 3.94Å; M37-L45 WeakPolarHBondContact O-CD2 3.42Å; M37-L45 HydrophobicContact SD-CD1 3.72Å; M37-K207 HydrophobicContact CB-CD 4.48Å; M37-K207 HydrophobicContact SD-CG 4.24Å
38E84.5Confident85.5Confident186 Ų18677.5 Ų77.587%0.86940%0.395SS*.PPolyproline II helixtrans-80.2128.1174.4-67.1-174.617400109.4L36L36-E38 PolarHBondContact O-N 2.81Å
39C90.4Very high86.1Confident35 Ų3572.8 Ų72.824%0.23637%0.372CS..PPolyproline II helixtrans-97.7142.6173.1-65.20000109.5K43 C209C39-K43 HydrophobicContact CB-CB 3.94Å; C39-C209 WeakPolarHBondContact CA-SG 3.29Å; C39-C209 HydrophobicContact CB-CB 3.77Å; C39-C209 WeakPolarHBondContact CB-SG 3Å; C39-C209 VanDerWaalsContact SG-CA 3.51Å; C39-C209 WeakPolarHBondContact SG-CB 3.4Å; C39-C209 CovalentContact SG-SG 2.03Å; C39-C209 PolarHBondContact SG-SG 3.14Å
40E89.9Confident86.6Confident138 Ų13871.2 Ų71.265%0.64536%0.364SS*.PPolyproline II helixtrans-56.1161.7168-64165.8-166.300111.5K42 K43E40-K42 PolarHBondContact O-N 3.11Å; E40-K43 HydrophobicContact CB-CD 4.29Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.7Å; E40-K43 IonicContact OE1-NZ 3.83Å; E40-K43 IonicContact OE2-NZ 2.69Å; E40-K43 PolarHBondContact OE2-NZ 3.43Å
41D86.5Confident87.3Confident151 Ų15164.3 Ų64.381%0.80733%0.333SS*.THydrogen-bonded Turntrans-48140173.4-76.9-22.1000112.5K43D41-K43 PolarHBondContact O-N 3.48Å
42K89Confident87.4Confident120 Ų12060.5 Ų60.552%0.52231%0.313SS..THydrogen-bonded Turntrans66.220.8179.4-47.8166.3-173.91640114.3E40 P211 Y212E40-K42 PolarHBondContact O-N 3.11Å; K42-P211 WeakPolarHBondContact O-CA 3.41Å; K42-Y212 WeakPolarHBondContact O-CD1 3.44Å; K42-Y212 VanDerWaalsContact O-CE1 3.31Å; K42-Y212 WeakPolarHBondContact O-CE1 3.32Å; K42-Y212 PolarHBondContact O-N 2.76Å
43K94.1Very high87.2Confident73 Ų7359.8 Ų59.832%0.31731%0.311SS..EExtended strand (participates in β ladder)trans-119.4153.9165.7-63.1173.8-177.31640109.7C39 E40 D41 C209 V210 P211C39-K43 HydrophobicContact CB-CB 3.94Å; E40-K43 HydrophobicContact CB-CD 4.29Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.7Å; E40-K43 IonicContact OE1-NZ 3.83Å; E40-K43 IonicContact OE2-NZ 2.69Å; E40-K43 PolarHBondContact OE2-NZ 3.43Å; D41-K43 PolarHBondContact O-N 3.48Å; K43-C209 HydrophobicContact CB-CB 3.99Å; K43-C209 HydrophobicContact CD-CB 3.94Å; K43-V210 CarbonylContact C-O 3.58Å; K43-V210 VanDerWaalsContact CA-O 3.25Å; K43-V210 WeakPolarHBondContact CA-O 3.37Å; K43-P211 HydrophobicContact CG-CB 4.13Å
44I94.2Very high86.6Confident5 Ų563 Ų633%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-121.3135176.1-172.1148.1000109.8I46 I62 L84 P86 L120 C209 V210I44-I46 HydrophobicContact CG2-CD1 4.01Å; I44-I46 HydrophobicContact CG2-CG1 4.26Å; I44-I46 PolarHBondContact O-N 3.07Å; I44-I62 HydrophobicContact CD1-CG2 3.74Å; I44-I62 HydrophobicContact CG1-CG2 3.92Å; I44-L84 HydrophobicContact CD1-CD1 4.33Å; I44-L84 HydrophobicContact CD1-CD2 3.55Å; I44-L84 HydrophobicContact CD1-CG 4.37Å; I44-L84 HydrophobicContact CG1-CD2 4.32Å; I44-L84 HydrophobicContact CG2-CD2 4.34Å; I44-P86 HydrophobicContact CD1-CB 4.5Å; I44-P86 HydrophobicContact CG2-CB 4.33Å; I44-L120 HydrophobicContact CG2-CD1 3.82Å; I44-C209 WeakPolarHBondContact O-CA 3.42Å; I44-V210 HydrophobicContact CG2-CB 4.2Å; I44-V210 PolarHBondContact N-O 2.72Å; I44-V210 PolarHBondContact O-N 2.86Å
45L94.5Very high86.9Confident6 Ų667.1 Ų67.13%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-76.7119.8178.5179.565.7000109M37 I62 N63 K207M37-L45 HydrophobicContact CB-CD1 3.79Å; M37-L45 HydrophobicContact CB-CD2 4.15Å; M37-L45 HydrophobicContact CG-CD1 3.94Å; M37-L45 WeakPolarHBondContact O-CD2 3.42Å; M37-L45 HydrophobicContact SD-CD1 3.72Å; L45-I62 WeakPolarHBondContact O-CA 3.48Å; L45-N63 PolarHBondContact N-OD1 3.13Å; L45-N63 PolarHBondContact O-N 3.46Å; L45-K207 HydrophobicContact CD1-CG 4.04Å
46I95.7Very high88.2Confident1 Ų165.5 Ų65.51%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-121.7131.4173.8-63.7169.3000108I44 L48 C61 I122 I161 K207 M208 V210I44-I46 HydrophobicContact CG2-CD1 4.01Å; I44-I46 HydrophobicContact CG2-CG1 4.26Å; I44-I46 PolarHBondContact O-N 3.07Å; I46-L48 HydrophobicContact CG2-CD2 4.34Å; I46-C61 WeakPolarHBondContact CA-O 3.32Å; I46-I122 HydrophobicContact CD1-CD1 3.57Å; I46-I122 HydrophobicContact CD1-CG1 4.01Å; I46-I122 HydrophobicContact CG1-CD1 4.13Å; I46-I122 HydrophobicContact CG2-CD1 4.32Å; I46-I161 HydrophobicContact CB-CD1 4.23Å; I46-I161 HydrophobicContact CD1-CD1 3.93Å; I46-I161 HydrophobicContact CD1-CG2 4.29Å; I46-I161 HydrophobicContact CG2-CD1 3.79Å; I46-K207 WeakPolarHBondContact O-CA 3.4Å; I46-M208 PolarHBondContact N-O 3.44Å; I46-M208 PolarHBondContact O-N 2.78Å; I46-V210 HydrophobicContact CB-CG2 4.47Å; I46-V210 HydrophobicContact CD1-CB 4.09Å; I46-V210 HydrophobicContact CD1-CG2 3.8Å; I46-V210 HydrophobicContact CG1-CG2 4.46Å
47S95.3Very high89.4Confident6 Ų660.3 Ų60.34%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-129.1142.3164.963.10000110.6C61 A206S47-C61 PolarHBondContact N-O 3.37Å; S47-C61 VanDerWaalsContact N-O 3.08Å; S47-C61 PolarHBondContact O-N 2.88Å; S47-C61 VanDerWaalsContact OG-CB 3.29Å; S47-C61 WeakPolarHBondContact OG-CB 3.08Å; S47-A206 CarbonylContact C-O 3.6Å; S47-A206 WeakPolarHBondContact CA-O 3.49Å
48L97.2Very high90.4Very high2 Ų256.1 Ų56.11%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-147.1153.7-173.954.780.9000110.9I46 Y59 I60 I122 L124 F159 I161 S205 A206I46-L48 HydrophobicContact CG2-CD2 4.34Å; L48-Y59 VanDerWaalsContact CA-O 3.31Å; L48-Y59 WeakPolarHBondContact CA-O 3.2Å; L48-I60 HydrophobicContact CB-CG1 4.43Å; L48-I122 HydrophobicContact CD2-CG2 4.33Å; L48-L124 HydrophobicContact CB-CD2 4.35Å; L48-L124 HydrophobicContact CD1-CD1 4.07Å; L48-F159 HydrophobicContact CD1-CB 3.67Å; L48-F159 HydrophobicContact CD1-CD1 3.71Å; L48-F159 HydrophobicContact CD1-CD2 4.04Å; L48-F159 HydrophobicContact CD1-CE1 4.33Å; L48-F159 HydrophobicContact CD1-CG 3.53Å; L48-F159 HydrophobicContact CD2-CB 3.93Å; L48-F159 HydrophobicContact CD2-CD2 3.67Å; L48-F159 HydrophobicContact CD2-CE2 4.42Å; L48-F159 HydrophobicContact CD2-CG 3.89Å; L48-F159 HydrophobicContact CG-CB 4.48Å; L48-F159 HydrophobicContact CG-CD2 4.47Å; L48-F159 HydrophobicContact CG-CG 4.38Å; L48-I161 HydrophobicContact CD2-CD1 4.28Å; L48-S205 WeakPolarHBondContact O-CA 3.38Å; L48-S205 PolarHBondContact O-OG 3.44Å; L48-A206 HydrophobicContact CD1-CB 4.07Å; L48-A206 HydrophobicContact CG-CB 4.41Å; L48-A206 PolarHBondContact N-O 3.34Å; L48-A206 PolarHBondContact O-N 2.87Å
49Y96.3Very high91Very high36 Ų3649.1 Ų49.114%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-151.8120.7177.5176.2-106.3000109.4G51 K52 P58 Y59 L124 P203Y49-G51 VanDerWaalsContact C-N 3.25Å; Y49-G51 PolarHBondContact O-N 3.34Å; Y49-K52 WeakPolarHBondContact OH-CD 3.48Å; Y49-K52 WeakPolarHBondContact OH-CE 3.16Å; Y49-K52 VanDerWaalsContact OH-CG 3.29Å; Y49-K52 WeakPolarHBondContact OH-CG 3.19Å; Y49-P58 CarbonylContact O-C 3.49Å; Y49-P58 WeakPolarHBondContact O-CA 3.31Å; Y49-Y59 VanDerWaalsContact CB-CE1 3.43Å; Y49-Y59 AromaticContact CD1-CD1 3.97Å; Y49-Y59 HydrophobicContact CD1-CD1 3.97Å; Y49-Y59 AromaticContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CD1-CE1 3.48Å; Y49-Y59 VanDerWaalsContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CE1-CE1 4.49Å; Y49-Y59 HydrophobicContact CG-CD1 4.42Å; Y49-Y59 AromaticContact CG-CE1 3.75Å; Y49-Y59 HydrophobicContact CG-CE1 3.75Å; Y49-Y59 AromaticContact CG-CZ 3.97Å; Y49-Y59 PolarHBondContact N-O 3.42Å; Y49-Y59 PolarHBondContact O-N 3.24Å; Y49-L124 WeakPolarHBondContact O-CD2 3.31Å; Y49-P203 HydrophobicContact CD2-CB 4.21Å; Y49-P203 HydrophobicContact CE2-CB 3.53Å; Y49-P203 HydrophobicContact CE2-CG 3.73Å
50S95.6Very high91.4Very high2 Ų247.5 Ų47.51%0.01424%0.244CC..  trans-73.8-8.5-173.248.10000115.1T125 H126 P203 V204S50-T125 WeakPolarHBondContact CB-O 3.11Å; S50-H126 PolarHBondContact O-ND1 3.04Å; S50-P203 VanDerWaalsContact OG-CA 3.25Å; S50-P203 WeakPolarHBondContact OG-CA 3.35Å; S50-V204 PolarHBondContact N-O 3.25Å; S50-V204 WeakPolarHBondContact OG-CG2 3.46Å; S50-V204 PolarHBondContact OG-N 3.41Å; S50-V204 PolarHBondContact OG-O 3.08Å
51G92.8Very high91.7Very high4 Ų441 Ų414%0.04121%0.213CC..  trans82.8154.1-176.100000113.4Y49 T56 P203Y49-G51 VanDerWaalsContact C-N 3.25Å; Y49-G51 PolarHBondContact O-N 3.34Å; G51-T56 WeakPolarHBondContact CA-O 3.41Å; G51-P203 WeakPolarHBondContact O-CB 3.38Å
52K87.8Confident92.1Very high109 Ų10934.1 Ų34.147%0.47418%0.177SC..SBendtrans-96118.9175.4-78.2165.5-174.4-172.80108.4Y49 S54 V55 T56 P203Y49-K52 WeakPolarHBondContact OH-CD 3.48Å; Y49-K52 WeakPolarHBondContact OH-CE 3.16Å; Y49-K52 VanDerWaalsContact OH-CG 3.29Å; Y49-K52 WeakPolarHBondContact OH-CG 3.19Å; K52-S54 PolarHBondContact O-N 3.38Å; K52-V55 PolarHBondContact O-N 3.42Å; K52-T56 HydrophobicContact CB-CG2 4.43Å; K52-T56 PolarHBondContact N-O 3.41Å; K52-T56 PolarHBondContact N-OG1 2.87Å; K52-T56 PolarHBondContact O-N 3.15Å; K52-P203 HydrophobicContact CG-CG 3.89Å
53Q81.6Confident92.2Very high41 Ų4132.4 Ų32.419%0.19217%0.173CC..THydrogen-bonded Turntrans52.9-132.3177.3-48.9173.730.400110.3H126 W200Q53-H126 PolarHBondContact O-CE1 3.49Å; Q53-W200 HydrophobicContact CB-CD2 3.65Å; Q53-W200 HydrophobicContact CB-CE3 3.8Å; Q53-W200 HydrophobicContact CB-CG 3.99Å; Q53-W200 HydrophobicContact CB-CZ2 4.43Å; Q53-W200 HydrophobicContact CB-CZ3 4.25Å; Q53-W200 HydrophobicContact CG-CB 4.2Å; Q53-W200 HydrophobicContact CG-CD2 3.77Å; Q53-W200 HydrophobicContact CG-CE3 3.53Å; Q53-W200 HydrophobicContact CG-CG 4.07Å; Q53-W200 HydrophobicContact CG-CZ3 4.16Å
54S75.5Confident92.1Very high70 Ų7029.7 Ų29.749%0.4917%0.165SC..THydrogen-bonded Turntrans-100.86.8169.256.30000113.6K52K52-S54 PolarHBondContact O-N 3.38Å
55V78.7Confident92.1Very high111 Ų11135.4 Ų35.467%0.67319%0.187SC*.THydrogen-bonded Turntrans-91.2-54.2-170.2-179.10000111.2K52K52-V55 PolarHBondContact O-N 3.42Å
56T90.3Very high92.1Very high53 Ų5335.1 Ų35.133%0.32519%0.185SC..SBendtrans-98.5125.5179.573.30000110.2G51 K52 H126G51-T56 WeakPolarHBondContact CA-O 3.41Å; K52-T56 HydrophobicContact CB-CG2 4.43Å; K52-T56 PolarHBondContact N-O 3.41Å; K52-T56 PolarHBondContact N-OG1 2.87Å; K52-T56 PolarHBondContact O-N 3.15Å; T56-H126 PolarHBondContact O-CE1 3.06Å
57S91.4Very high92.1Very high27 Ų2735.5 Ų35.519%0.18919%0.187CC..PPolyproline II helixtrans-65.4147.5-176.561.20000111.8
58P96.9Very high92.2Very high2 Ų235.2 Ų35.21%0.01319%0.185CC..PPolyproline II helixtrans-69.3154.4171.433.4-35.2000109.7Y49 S69 A75 L124 H126Y49-P58 CarbonylContact O-C 3.49Å; Y49-P58 WeakPolarHBondContact O-CA 3.31Å; P58-S69 WeakPolarHBondContact O-CA 3.25Å; P58-A75 HydrophobicContact CG-CB 3.69Å; P58-L124 HydrophobicContact CB-CD2 3.88Å; P58-L124 HydrophobicContact CB-CG 4.49Å; P58-H126 HydrophobicContact CB-CB 4.02Å; P58-H126 HydrophobicContact CG-CB 3.68Å
59Y97.4Very high92.2Very high39 Ų3935.1 Ų35.115%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-144.3151.4167.662.6-97.6000113.3K32 L48 Y49 M68 L124K32-Y59 HydrophobicContact CB-CD1 4.29Å; K32-Y59 HydrophobicContact CB-CD2 4.02Å; K32-Y59 HydrophobicContact CB-CE1 4.12Å; K32-Y59 HydrophobicContact CB-CE2 3.88Å; K32-Y59 HydrophobicContact CB-CG 4.23Å; K32-Y59 HydrophobicContact CD-CD1 3.79Å; K32-Y59 HydrophobicContact CD-CE1 4.25Å; K32-Y59 HydrophobicContact CD-CG 3.95Å; K32-Y59 HydrophobicContact CG-CD1 3.95Å; K32-Y59 HydrophobicContact CG-CE1 3.87Å; K32-Y59 HydrophobicContact CG-CG 4.28Å; K32-Y59 VanDerWaalsContact O-CE2 3.3Å; K32-Y59 WeakPolarHBondContact O-CE2 3.48Å; K32-Y59 PolarHBondContact O-OH 2.95Å; L48-Y59 VanDerWaalsContact CA-O 3.31Å; L48-Y59 WeakPolarHBondContact CA-O 3.2Å; Y49-Y59 VanDerWaalsContact CB-CE1 3.43Å; Y49-Y59 AromaticContact CD1-CD1 3.97Å; Y49-Y59 HydrophobicContact CD1-CD1 3.97Å; Y49-Y59 AromaticContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CD1-CE1 3.48Å; Y49-Y59 VanDerWaalsContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CE1-CE1 4.49Å; Y49-Y59 HydrophobicContact CG-CD1 4.42Å; Y49-Y59 AromaticContact CG-CE1 3.75Å; Y49-Y59 HydrophobicContact CG-CE1 3.75Å; Y49-Y59 AromaticContact CG-CZ 3.97Å; Y49-Y59 PolarHBondContact N-O 3.42Å; Y49-Y59 PolarHBondContact O-N 3.24Å; Y59-M68 CarbonylContact C-O 3.52Å; Y59-M68 WeakPolarHBondContact CA-O 3.48Å; Y59-M68 WeakPolarHBondContact CB-O 3.42Å; Y59-L124 WeakPolarHBondContact O-CD2 3.25Å
60I98.1Very high92.1Very high2 Ų241.8 Ų41.81%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-127.1124.9172.6-58.3170.3000107.5L48 I67 M68 I82 I122 L124L48-I60 HydrophobicContact CB-CG1 4.43Å; I60-I67 PolarHBondContact O-N 2.95Å; I60-M68 HydrophobicContact CB-CB 4.14Å; I60-M68 HydrophobicContact CD1-CB 4.37Å; I60-M68 HydrophobicContact CD1-SD 4.4Å; I60-M68 HydrophobicContact CG1-CB 4.48Å; I60-M68 PolarHBondContact N-O 2.69Å; I60-M68 PolarHBondContact O-N 3.31Å; I60-M68 VanDerWaalsContact O-N 3.13Å; I60-I82 HydrophobicContact CD1-CG1 4.01Å; I60-I122 HydrophobicContact CD1-CG2 4.11Å; I60-I122 HydrophobicContact CG2-CG2 4.07Å; I60-L124 HydrophobicContact CD1-CB 3.98Å; I60-L124 HydrophobicContact CD1-CD2 4.34Å; I60-L124 HydrophobicContact CG1-CB 4.2Å; I60-L124 HydrophobicContact CG1-CD2 3.72Å
61C96.5Very high92Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-110.6143.2172.3-510000111C33 I46 S47 R65C33-C61 WeakPolarHBondContact CA-SG 3.5Å; C33-C61 HydrophobicContact CB-CB 3.75Å; C33-C61 WeakPolarHBondContact CB-SG 3.13Å; C33-C61 WeakPolarHBondContact SG-CB 3.23Å; C33-C61 CovalentContact SG-SG 2.04Å; C33-C61 PolarHBondContact SG-SG 3.19Å; I46-C61 WeakPolarHBondContact CA-O 3.32Å; S47-C61 PolarHBondContact N-O 3.37Å; S47-C61 VanDerWaalsContact N-O 3.08Å; S47-C61 PolarHBondContact O-N 2.88Å; S47-C61 VanDerWaalsContact OG-CB 3.29Å; S47-C61 WeakPolarHBondContact OG-CB 3.08Å; C61-R65 CarbonylContact C-O 3.56Å; C61-R65 WeakPolarHBondContact CA-O 3.42Å; C61-R65 WeakPolarHBondContact CB-O 3.33Å
62I95.1Very high92Very high8 Ų847.7 Ų47.74%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-126.6126.4171-59-178.6000107.2I44 L45 G64 R65 I67 I82 L84 V91 I122I44-I62 HydrophobicContact CD1-CG2 3.74Å; I44-I62 HydrophobicContact CG1-CG2 3.92Å; L45-I62 WeakPolarHBondContact O-CA 3.48Å; I62-G64 VanDerWaalsContact C-N 3.25Å; I62-G64 PolarHBondContact O-N 3.18Å; I62-R65 PolarHBondContact N-O 3.44Å; I62-R65 PolarHBondContact O-N 2.58Å; I62-I67 HydrophobicContact CB-CD1 4.36Å; I62-I67 HydrophobicContact CB-CG1 3.68Å; I62-I67 HydrophobicContact CD1-CG1 3.91Å; I62-I67 HydrophobicContact CG1-CB 4.49Å; I62-I67 HydrophobicContact CG1-CG1 3.67Å; I62-I82 HydrophobicContact CD1-CG2 4.07Å; I62-L84 HydrophobicContact CD1-CD1 4.11Å; I62-L84 HydrophobicContact CD1-CD2 3.87Å; I62-L84 HydrophobicContact CD1-CG 4.39Å; I62-L84 HydrophobicContact CG2-CD2 4.35Å; I62-V91 HydrophobicContact CD1-CG2 4.12Å; I62-I122 HydrophobicContact CD1-CD1 3.93Å; I62-I122 HydrophobicContact CG1-CD1 4.35Å
63N92Very high92.4Very high84 Ų8443.5 Ų43.545%0.44922%0.22SC..THydrogen-bonded Turntrans48.945.3-178.5-64.7-22.3000113.2L45 R65L45-N63 PolarHBondContact N-OD1 3.13Å; L45-N63 PolarHBondContact O-N 3.46Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 2.93Å
64G91.2Very high92.9Very high15 Ų1543.3 Ų43.316%0.15523%0.229CC..THydrogen-bonded Turntrans78.21.3176.800000115.6C33 I62C33-G64 WeakPolarHBondContact CB-O 3.44Å; I62-G64 VanDerWaalsContact C-N 3.25Å; I62-G64 PolarHBondContact O-N 3.18Å
65R93.3Very high93.9Very high125 Ų12540.3 Ų40.347%0.47221%0.208SC..EExtended strand (participates in β ladder)trans-110.7137.1179.2-67.4-179.8162174.2-5.1111.3E28 C61 I62 N63 I67E28-R65 IonicContact OE1-CZ 3.07Å; E28-R65 IonicContact OE1-NE 2.73Å; E28-R65 IonicContact OE1-NH2 3.23Å; E28-R65 PolarHBondContact OE1-NH2 3.37Å; C61-R65 CarbonylContact C-O 3.56Å; C61-R65 WeakPolarHBondContact CA-O 3.42Å; C61-R65 WeakPolarHBondContact CB-O 3.33Å; I62-R65 PolarHBondContact N-O 3.44Å; I62-R65 PolarHBondContact O-N 2.58Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 2.93Å; R65-I67 HydrophobicContact CB-CD1 4.48Å; R65-I67 PolarHBondContact O-N 2.97Å
66V95.5Very high94.7Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-69.3119.1173.6179.20000108.2T26 S27 D29 K32 C33 T72T26-V66 WeakPolarHBondContact CA-O 3.1Å; S27-V66 PolarHBondContact N-O 3.3Å; S27-V66 VanDerWaalsContact N-O 3.11Å; S27-V66 PolarHBondContact O-N 3.1Å; S27-V66 WeakPolarHBondContact OG-CB 3.13Å; D29-V66 HydrophobicContact CB-CG2 3.62Å; K32-V66 HydrophobicContact CB-CG2 4.4Å; K32-V66 HydrophobicContact CD-CG2 4.35Å; C33-V66 WeakPolarHBondContact SG-CG2 3.49Å; C33-V66 PolarHBondContact SG-N 2.89Å; V66-T72 HydrophobicContact CG1-CG2 4.25Å
67I96.5Very high94.9Very high9 Ų936.8 Ų36.85%0.04618%0.182CC..EExtended strand (participates in β ladder)trans-99.7-31.1175-57.1-52000110.5I24 T26 I60 I62 R65 N73 I82 V91I24-I67 HydrophobicContact CG2-CG2 4.36Å; T26-I67 HydrophobicContact CG2-CD1 3.58Å; I60-I67 PolarHBondContact O-N 2.95Å; I62-I67 HydrophobicContact CB-CD1 4.36Å; I62-I67 HydrophobicContact CB-CG1 3.68Å; I62-I67 HydrophobicContact CD1-CG1 3.91Å; I62-I67 HydrophobicContact CG1-CB 4.49Å; I62-I67 HydrophobicContact CG1-CG1 3.67Å; R65-I67 HydrophobicContact CB-CD1 4.48Å; R65-I67 PolarHBondContact O-N 2.97Å; I67-N73 PolarHBondContact O-ND2 3.2Å; I67-I82 HydrophobicContact CG2-CD1 3.78Å; I67-I82 HydrophobicContact CG2-CG1 4.27Å; I67-V91 HydrophobicContact CD1-CG2 4.33Å; I67-V91 HydrophobicContact CG1-CG2 4.4Å; I67-V91 HydrophobicContact CG2-CB 4.45Å; I67-V91 HydrophobicContact CG2-CG1 4.11Å; I67-V91 HydrophobicContact CG2-CG2 3.75Å
68M97.5Very high95.1Very high0 Ų035.5 Ų35.50%017%0.173CC..EExtended strand (participates in β ladder)trans-143.7126.6179.9-158.4163.6-151.200109.5Y59 I60 T72 N73 A75 N80 I82 R94 L95Y59-M68 CarbonylContact C-O 3.52Å; Y59-M68 WeakPolarHBondContact CA-O 3.48Å; Y59-M68 WeakPolarHBondContact CB-O 3.42Å; I60-M68 HydrophobicContact CB-CB 4.14Å; I60-M68 HydrophobicContact CD1-CB 4.37Å; I60-M68 HydrophobicContact CD1-SD 4.4Å; I60-M68 HydrophobicContact CG1-CB 4.48Å; I60-M68 PolarHBondContact N-O 2.69Å; I60-M68 PolarHBondContact O-N 3.31Å; I60-M68 VanDerWaalsContact O-N 3.13Å; M68-T72 CarbonylContact C-O 3.54Å; M68-T72 VanDerWaalsContact CA-O 3.3Å; M68-T72 WeakPolarHBondContact CA-O 3.45Å; M68-N73 WeakPolarHBondContact CE-O 3.48Å; M68-A75 HydrophobicContact CG-CB 3.88Å; M68-N80 HydrophobicContact SD-CB 3.99Å; M68-I82 HydrophobicContact CB-CD1 4.18Å; M68-I82 HydrophobicContact CB-CG1 4.34Å; M68-I82 HydrophobicContact CG-CD1 4.48Å; M68-I82 HydrophobicContact SD-CD1 3.74Å; M68-I82 HydrophobicContact SD-CG1 3.98Å; M68-R94 HydrophobicContact CE-CB 4.11Å; M68-R94 VanDerWaalsContact CE-NH2 3.34Å; M68-L95 WeakPolarHBondContact CE-O 3.39Å
69S96.1Very high95.1Very high1 Ų135.4 Ų35.41%0.00717%0.173CC..SBendtrans-152.3180166.879.40000108.1P58 E71 T72 G74 A75P58-S69 WeakPolarHBondContact O-CA 3.25Å; S69-E71 WeakPolarHBondContact CB-OE2 3.28Å; S69-E71 PolarHBondContact O-N 3.23Å; S69-E71 PolarHBondContact OG-N 3.33Å; S69-E71 PolarHBondContact OG-OE2 3.25Å; S69-T72 CarbonylContact C-O 3.54Å; S69-T72 PolarHBondContact N-O 3.12Å; S69-T72 CarbonylContact O-C 3.37Å; S69-T72 PolarHBondContact O-N 2.65Å; S69-T72 PolarHBondContact OG-N 3.37Å; S69-G74 PolarHBondContact O-N 3.14Å; S69-G74 VanDerWaalsContact O-N 3.16Å; S69-A75 WeakPolarHBondContact O-CB 3.29Å; S69-A75 PolarHBondContact O-N 3.13Å
70R94.4Very high95.1Very high175 Ų17533.6 Ų33.666%0.6617%0.166SC*.SBendtrans-58.6-41.3174.9-176.7176-173.7162.72111.8A75R70-A75 WeakPolarHBondContact CA-O 3.32Å
71E92.5Very high95.1Very high117 Ų11733.5 Ų33.555%0.54717%0.165SC..THydrogen-bonded Turntrans-80.1-34.9-179.2-50.871.2-15000111.8S69S69-E71 WeakPolarHBondContact CB-OE2 3.28Å; S69-E71 PolarHBondContact O-N 3.23Å; S69-E71 PolarHBondContact OG-N 3.33Å; S69-E71 PolarHBondContact OG-OE2 3.25Å
72T93.9Very high95.2Very high13 Ų1333.5 Ų33.58%0.0817%0.165CC..THydrogen-bonded Turntrans-106.8106.2-176.9-62.30000109.9R25 S27 V66 M68 S69 G74R25-T72 HydrophobicContact CB-CG2 4.39Å; S27-T72 PolarHBondContact OG-OG1 2.93Å; V66-T72 HydrophobicContact CG1-CG2 4.25Å; M68-T72 CarbonylContact C-O 3.54Å; M68-T72 VanDerWaalsContact CA-O 3.3Å; M68-T72 WeakPolarHBondContact CA-O 3.45Å; S69-T72 CarbonylContact C-O 3.54Å; S69-T72 PolarHBondContact N-O 3.12Å; S69-T72 CarbonylContact O-C 3.37Å; S69-T72 PolarHBondContact O-N 2.65Å; S69-T72 PolarHBondContact OG-N 3.37Å; T72-G74 PolarHBondContact O-N 3.45Å
73N95.2Very high95.3Very high21 Ų2133.3 Ų33.311%0.11217%0.165CC..THydrogen-bonded Turntrans57.434.8-179.9-51.5-40.9000113.5I24 R25 I67 M68 A75 R94I24-N73 WeakPolarHBondContact CG2-ND2 3.39Å; R25-N73 PolarHBondContact N-ND2 2.92Å; R25-N73 PolarHBondContact N-OD1 3.14Å; R25-N73 PolarHBondContact O-ND2 3.27Å; I67-N73 PolarHBondContact O-ND2 3.2Å; M68-N73 WeakPolarHBondContact CE-O 3.48Å; N73-A75 PolarHBondContact O-N 3.03Å; N73-R94 HydrophobicContact CB-CG 4.12Å; N73-R94 PolarHBondContact O-NE 2.92Å; N73-R94 PolarHBondContact O-NH2 2.03Å
74G93.9Very high95.5Very high37 Ų3729.3 Ų29.338%0.38114%0.143SC..  trans55.452.1155.500000116.8S69 T72 R94S69-G74 PolarHBondContact O-N 3.14Å; S69-G74 VanDerWaalsContact O-N 3.16Å; T72-G74 PolarHBondContact O-N 3.45Å; G74-R94 PolarHBondContact O-NH2 2.91Å
75A96.3Very high95.7Very high7 Ų731.6 Ų31.66%0.05815%0.15CC..  trans-66.4142166.700000110.5P58 M68 S69 R70 N73 N80P58-A75 HydrophobicContact CG-CB 3.69Å; M68-A75 HydrophobicContact CG-CB 3.88Å; S69-A75 WeakPolarHBondContact O-CB 3.29Å; S69-A75 PolarHBondContact O-N 3.13Å; R70-A75 WeakPolarHBondContact CA-O 3.32Å; N73-A75 PolarHBondContact O-N 3.03Å; A75-N80 VanDerWaalsContact CA-OD1 3.25Å; A75-N80 WeakPolarHBondContact CA-OD1 3.41Å
76G94.7Very high95.7Very high18 Ų1826 Ų2619%0.18613%0.13CC..  trans-160.2-167-174.900000112.5N80 N96 H126G76-N80 PolarHBondContact N-OD1 3.12Å; G76-N80 PolarHBondContact O-ND2 2.94Å; G76-N80 PolarHBondContact O-OD1 3.28Å; G76-N96 PolarHBondContact N-ND2 2.88Å; G76-N96 PolarHBondContact O-ND2 2.49Å; G76-H126 WeakPolarHBondContact O-CB 3.45Å
77R94.9Very high95.5Very high72 Ų7230.4 Ų30.427%0.27215%0.152SC..SBendtrans-54.4146.2175.5178.6172.668.2-162.8-5.3110.8N96 D98 L101 H126 D127 D128R77-N96 PolarHBondContact O-ND2 3.21Å; R77-D98 IonicContact CZ-OD1 2.75Å; R77-D98 IonicContact CZ-OD2 3.56Å; R77-D98 VanDerWaalsContact CZ-OD2 3.32Å; R77-D98 VanDerWaalsContact NE-CG 3.34Å; R77-D98 IonicContact NE-OD1 3.86Å; R77-D98 PolarHBondContact NE-OD1 3.36Å; R77-D98 IonicContact NE-OD2 2.88Å; R77-D98 PolarHBondContact NE-OD2 2.54Å; R77-D98 IonicContact NH2-OD1 2.68Å; R77-D98 PolarHBondContact NH2-OD1 3.11Å; R77-D98 IonicContact NH2-OD2 3.44Å; R77-D98 PolarHBondContact NH2-OD2 2.95Å; R77-L101 VanDerWaalsContact NH2-CG 3.35Å; R77-H126 WeakPolarHBondContact CA-O 3.48Å; R77-D127 HydrophobicContact CB-CB 4.29Å; R77-D127 WeakPolarHBondContact CD-OD2 3.31Å; R77-D127 HydrophobicContact CG-CB 4.02Å; R77-D128 WeakPolarHBondContact CG-O 3.43Å
78G95.5Very high95.2Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans94.4-146.2177.500000113.2F97 T125 H126 D128G78-F97 CarbonylContact C-O 3.6Å; G78-F97 WeakPolarHBondContact CA-O 3.11Å; G78-T125 WeakPolarHBondContact O-CA 3.02Å; G78-H126 PolarHBondContact N-O 3.14Å; G78-H126 PolarHBondContact O-N 2.97Å; G78-D128 WeakPolarHBondContact CA-O 3.49Å; G78-D128 PolarHBondContact N-O 3.09Å
79L97.1Very high94.9Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-91.6118.4-179.2-61.5174.2000110.3V81 N96 F97 T99 L108 V123 T125 A129 L133 F141 W158L79-V81 HydrophobicContact CB-CG2 4.16Å; L79-N96 CarbonylContact O-C 3.39Å; L79-N96 WeakPolarHBondContact O-CA 3.45Å; L79-F97 HydrophobicContact CB-CB 4.37Å; L79-F97 HydrophobicContact CD1-CD1 4.36Å; L79-F97 PolarHBondContact N-O 2.6Å; L79-F97 PolarHBondContact O-N 2.85Å; L79-T99 HydrophobicContact CD1-CG2 4.27Å; L79-T99 HydrophobicContact CG-CG2 3.99Å; L79-L108 HydrophobicContact CD1-CD2 3.74Å; L79-V123 HydrophobicContact CB-CG1 4.41Å; L79-V123 HydrophobicContact CD2-CG1 3.84Å; L79-T125 HydrophobicContact CD2-CG2 4.04Å; L79-A129 HydrophobicContact CD2-CB 3.84Å; L79-A129 HydrophobicContact CG-CB 4.23Å; L79-L133 HydrophobicContact CD1-CD1 4.04Å; L79-F141 HydrophobicContact CD1-CE2 4.03Å; L79-F141 HydrophobicContact CD1-CZ 4.23Å; L79-W158 HydrophobicContact CD2-CE3 4.38Å; L79-W158 HydrophobicContact CD2-CZ3 4.13Å
80N97.6Very high94.8Very high1 Ų139.3 Ų39.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-99.2112.6171-57.5-78.9000108.2M68 A75 G76 L95 N96 V123 L124M68-N80 HydrophobicContact SD-CB 3.99Å; A75-N80 VanDerWaalsContact CA-OD1 3.25Å; A75-N80 WeakPolarHBondContact CA-OD1 3.41Å; G76-N80 PolarHBondContact N-OD1 3.12Å; G76-N80 PolarHBondContact O-ND2 2.94Å; G76-N80 PolarHBondContact O-OD1 3.28Å; N80-L95 CarbonylContact C-O 3.53Å; N80-L95 WeakPolarHBondContact CA-O 3.38Å; N80-N96 PolarHBondContact OD1-ND2 3.43Å; N80-V123 CarbonylContact O-C 3.49Å; N80-V123 WeakPolarHBondContact O-CA 3.12Å; N80-L124 HydrophobicContact CB-CB 4.5Å; N80-L124 VanDerWaalsContact CB-O 3.31Å; N80-L124 WeakPolarHBondContact CB-O 3.05Å; N80-L124 PolarHBondContact N-O 3.26Å; N80-L124 PolarHBondContact ND2-O 3.41Å; N80-L124 VanDerWaalsContact ND2-O 3.14Å; N80-L124 PolarHBondContact O-N 2.87Å
81V98Very high94.9Very high0 Ų032.1 Ų32.10%018%0.184CC..EExtended strand (participates in β ladder)trans-119.3132.2-169.5-172.80000110.5L79 R94 L95 L108 L112 V121 I122 V123L79-V81 HydrophobicContact CB-CG2 4.16Å; V81-R94 CarbonylContact O-C 3.6Å; V81-R94 WeakPolarHBondContact O-CA 3.42Å; V81-L95 HydrophobicContact CB-CB 4.15Å; V81-L95 HydrophobicContact CB-CD1 4.06Å; V81-L95 HydrophobicContact CG1-CD1 4.12Å; V81-L95 PolarHBondContact N-O 2.78Å; V81-L95 PolarHBondContact O-N 2.97Å; V81-L108 HydrophobicContact CG2-CD1 4.42Å; V81-L112 HydrophobicContact CG1-CD2 4.47Å; V81-V121 HydrophobicContact CG1-CG2 3.6Å; V81-I122 CarbonylContact C-O 3.45Å; V81-I122 VanDerWaalsContact CA-O 3.28Å; V81-I122 WeakPolarHBondContact CA-O 3.49Å; V81-V123 HydrophobicContact CG1-CG2 4.41Å; V81-V123 HydrophobicContact CG2-CG1 4.22Å; V81-V123 HydrophobicContact CG2-CG2 4.37Å
82I98.2Very high95Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-118132.8170.2-67.6-61.2000109.1I60 I62 I67 M68 V91 R94 V121 I122I60-I82 HydrophobicContact CD1-CG1 4.01Å; I62-I82 HydrophobicContact CD1-CG2 4.07Å; I67-I82 HydrophobicContact CG2-CD1 3.78Å; I67-I82 HydrophobicContact CG2-CG1 4.27Å; M68-I82 HydrophobicContact CB-CD1 4.18Å; M68-I82 HydrophobicContact CB-CG1 4.34Å; M68-I82 HydrophobicContact CG-CD1 4.48Å; M68-I82 HydrophobicContact SD-CD1 3.74Å; M68-I82 HydrophobicContact SD-CG1 3.98Å; I82-V91 HydrophobicContact CD1-CG1 4.3Å; I82-V91 HydrophobicContact CG2-CG1 3.74Å; I82-R94 HydrophobicContact CD1-CB 3.57Å; I82-V121 CarbonylContact O-C 3.6Å; I82-V121 WeakPolarHBondContact O-CA 3.26Å; I82-I122 HydrophobicContact CB-CB 4.24Å; I82-I122 HydrophobicContact CB-CD1 4.49Å; I82-I122 HydrophobicContact CG2-CD1 4.26Å; I82-I122 PolarHBondContact N-O 3.33Å; I82-I122 PolarHBondContact O-N 2.92Å
83I97.7Very high95.1Very high5 Ų533.7 Ų33.73%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-109.7123.5169.5-59.4174.2000107.9L92 R93 L95 I111 L115 Q119 L120I83-L92 HydrophobicContact CG2-CB 4.32Å; I83-L92 HydrophobicContact CG2-CD1 4.36Å; I83-L92 PolarHBondContact O-N 2.85Å; I83-R93 HydrophobicContact CB-CB 4.14Å; I83-R93 HydrophobicContact CD1-CB 4.16Å; I83-R93 HydrophobicContact CD1-CG 4.5Å; I83-R93 HydrophobicContact CG1-CB 4.38Å; I83-R93 PolarHBondContact N-O 3.4Å; I83-R93 PolarHBondContact O-N 2.86Å; I83-L95 HydrophobicContact CD1-CD1 4.41Å; I83-I111 HydrophobicContact CD1-CG2 3.47Å; I83-I111 VanDerWaalsContact CD1-CG2 3.47Å; I83-L115 HydrophobicContact CB-CD2 4.31Å; I83-L115 HydrophobicContact CD1-CD2 3.62Å; I83-L115 HydrophobicContact CG1-CD2 3.86Å; I83-L115 HydrophobicContact CG2-CD2 3.49Å; I83-L115 VanDerWaalsContact CG2-CD2 3.49Å; I83-Q119 HydrophobicContact CG2-CB 4.15Å; I83-Q119 HydrophobicContact CG2-CG 4.24Å; I83-L120 WeakPolarHBondContact CA-O 3.37Å
84L96.3Very high95.1Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-124.9138.3-171.2170.569000110.3I44 I62 P86 G89 V91 Q119 L120 I122I44-L84 HydrophobicContact CD1-CD1 4.33Å; I44-L84 HydrophobicContact CD1-CD2 3.55Å; I44-L84 HydrophobicContact CD1-CG 4.37Å; I44-L84 HydrophobicContact CG1-CD2 4.32Å; I44-L84 HydrophobicContact CG2-CD2 4.34Å; I62-L84 HydrophobicContact CD1-CD1 4.11Å; I62-L84 HydrophobicContact CD1-CD2 3.87Å; I62-L84 HydrophobicContact CD1-CG 4.39Å; I62-L84 HydrophobicContact CG2-CD2 4.35Å; L84-P86 HydrophobicContact CD2-CB 4.44Å; L84-P86 WeakPolarHBondContact O-CD 2.95Å; L84-G89 WeakPolarHBondContact CD1-O 3.1Å; L84-V91 HydrophobicContact CD1-CG2 4.26Å; L84-Q119 CarbonylContact O-C 3.54Å; L84-Q119 WeakPolarHBondContact O-CA 3.43Å; L84-L120 HydrophobicContact CB-CB 4.45Å; L84-L120 HydrophobicContact CD2-CD1 4.35Å; L84-L120 PolarHBondContact N-O 3.35Å; L84-L120 PolarHBondContact O-N 2.93Å; L84-I122 HydrophobicContact CD2-CD1 4.49Å
85E95.2Very high95.1Very high63 Ų6335.1 Ų35.129%0.29418%0.183SC..EExtended strand (participates in β ladder)trans-90.7103.1159.9-175.2177.9-112.600108.6L87 T88 G89 I90 L92E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 2.83Å; E85-T88 PolarHBondContact O-N 3.5Å; E85-T88 PolarHBondContact O-OG1 3.43Å; E85-T88 WeakPolarHBondContact OE2-CB 3.38Å; E85-T88 WeakPolarHBondContact OE2-CG2 3.22Å; E85-T88 PolarHBondContact OE2-OG1 2.91Å; E85-G89 WeakPolarHBondContact O-CA 3.43Å; E85-G89 PolarHBondContact O-N 2.86Å; E85-I90 PolarHBondContact N-O 3.42Å; E85-I90 PolarHBondContact O-N 2.93Å; E85-L92 HydrophobicContact CB-CD1 4.21Å; E85-L92 HydrophobicContact CB-CG 4.38Å
86P93.4Very high95.1Very high7 Ų737.5 Ų37.55%0.04520%0.195CC..THydrogen-bonded Turntrans-75.1-16.7-168.433.9-38.4000113.4I44 L84 E118 L120 Y212I44-P86 HydrophobicContact CD1-CB 4.5Å; I44-P86 HydrophobicContact CG2-CB 4.33Å; L84-P86 HydrophobicContact CD2-CB 4.44Å; L84-P86 WeakPolarHBondContact O-CD 2.95Å; P86-E118 WeakPolarHBondContact CD-O 3.38Å; P86-L120 HydrophobicContact CB-CD1 3.87Å; P86-L120 HydrophobicContact CB-CG 4.15Å; P86-L120 HydrophobicContact CG-CD1 4.26Å; P86-L120 HydrophobicContact CG-CG 4.01Å; P86-Y212 HydrophobicContact CB-CD1 3.52Å; P86-Y212 HydrophobicContact CB-CD2 4.08Å; P86-Y212 HydrophobicContact CB-CE1 3.98Å; P86-Y212 HydrophobicContact CB-CG 3.55Å; P86-Y212 HydrophobicContact CG-CD1 3.94Å; P86-Y212 HydrophobicContact CG-CD2 3.63Å; P86-Y212 HydrophobicContact CG-CE2 4.34Å; P86-Y212 HydrophobicContact CG-CG 3.39Å
87L90.2Very high95.1Very high92 Ų9237.6 Ų37.648%0.48219%0.19SC..THydrogen-bonded Turntrans-69.6-40.7175.9-179.562.6000112E85 Y212E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 2.83Å; L87-Y212 HydrophobicContact CB-CE2 4.21Å; L87-Y212 HydrophobicContact CD1-CE2 4.28Å
88T91.1Very high95Very high76 Ų7635.2 Ų35.247%0.46618%0.183SC..THydrogen-bonded Turntrans-98.6-17.3-17958.30000112.1E85 I90E85-T88 PolarHBondContact O-N 3.5Å; E85-T88 PolarHBondContact O-OG1 3.43Å; E85-T88 WeakPolarHBondContact OE2-CB 3.38Å; E85-T88 WeakPolarHBondContact OE2-CG2 3.22Å; E85-T88 PolarHBondContact OE2-OG1 2.91Å; T88-I90 HydrophobicContact CG2-CD1 4.44Å; T88-I90 PolarHBondContact O-N 2.71Å; T88-I90 WeakPolarHBondContact OG1-CB 3.36Å; T88-I90 WeakPolarHBondContact OG1-CG1 3.26Å; T88-I90 PolarHBondContact OG1-N 3.33Å
89G90.6Very high94.5Very high27 Ų2735.3 Ų35.328%0.27818%0.184SC..THydrogen-bonded Turntrans75.56.5-170.900000113.2L84 E85 V91L84-G89 WeakPolarHBondContact CD1-O 3.1Å; E85-G89 WeakPolarHBondContact O-CA 3.43Å; E85-G89 PolarHBondContact O-N 2.86Å; G89-V91 PolarHBondContact O-N 3.24Å
90I93.7Very high93.9Very high94 Ų9440.1 Ų40.148%0.48221%0.205SC..EExtended strand (participates in β ladder)trans-76.1122.6-176.6-65.4171.9000109.8E85 T88 L92E85-I90 PolarHBondContact N-O 3.42Å; E85-I90 PolarHBondContact O-N 2.93Å; T88-I90 HydrophobicContact CG2-CD1 4.44Å; T88-I90 PolarHBondContact O-N 2.71Å; T88-I90 WeakPolarHBondContact OG1-CB 3.36Å; T88-I90 WeakPolarHBondContact OG1-CG1 3.26Å; T88-I90 PolarHBondContact OG1-N 3.33Å; I90-L92 HydrophobicContact CG2-CD2 4Å; I90-L92 PolarHBondContact O-N 2.84Å
91V96.1Very high93.3Very high25 Ų2545.4 Ų45.415%0.15223%0.233CC..EExtended strand (participates in β ladder)trans-77.3119.7169.6-171.60000108.4I24 I62 I67 I82 L84 G89I24-V91 HydrophobicContact CD1-CB 3.81Å; I24-V91 HydrophobicContact CD1-CG1 3.4Å; I24-V91 VanDerWaalsContact CD1-CG1 3.4Å; I24-V91 WeakPolarHBondContact CD1-O 3.42Å; I24-V91 HydrophobicContact CG2-CB 4.21Å; I24-V91 HydrophobicContact CG2-CG1 4.21Å; I62-V91 HydrophobicContact CD1-CG2 4.12Å; I67-V91 HydrophobicContact CD1-CG2 4.33Å; I67-V91 HydrophobicContact CG1-CG2 4.4Å; I67-V91 HydrophobicContact CG2-CB 4.45Å; I67-V91 HydrophobicContact CG2-CG1 4.11Å; I67-V91 HydrophobicContact CG2-CG2 3.75Å; I82-V91 HydrophobicContact CD1-CG1 4.3Å; I82-V91 HydrophobicContact CG2-CG1 3.74Å; L84-V91 HydrophobicContact CD1-CG2 4.26Å; G89-V91 PolarHBondContact O-N 3.24Å
92L95.4Very high92.4Very high74 Ų7450 Ų5039%0.38725%0.254SS..EExtended strand (participates in β ladder)trans-90.5-36.4-175.3-61.1176.3000112.1I83 E85 I90 Q119I83-L92 HydrophobicContact CG2-CB 4.32Å; I83-L92 HydrophobicContact CG2-CD1 4.36Å; I83-L92 PolarHBondContact O-N 2.85Å; E85-L92 HydrophobicContact CB-CD1 4.21Å; E85-L92 HydrophobicContact CB-CG 4.38Å; I90-L92 HydrophobicContact CG2-CD2 4Å; I90-L92 PolarHBondContact O-N 2.84Å; L92-Q119 HydrophobicContact CD1-CG 3.85Å
93R96Very high91.3Very high88 Ų8860.1 Ų60.133%0.33230%0.298SS..EExtended strand (participates in β ladder)trans-148.3149.5179.2-61.4-168.8178.3-136.36.3111.5I83I83-R93 HydrophobicContact CB-CB 4.14Å; I83-R93 HydrophobicContact CD1-CB 4.16Å; I83-R93 HydrophobicContact CD1-CG 4.5Å; I83-R93 HydrophobicContact CG1-CB 4.38Å; I83-R93 PolarHBondContact N-O 3.4Å; I83-R93 PolarHBondContact O-N 2.86Å
94R95.2Very high90.6Very high54 Ų5464.4 Ų64.420%0.20432%0.321CS..EExtended strand (participates in β ladder)trans-126.4138.316657.976.446.9-162.8-2109.7I24 M68 N73 G74 V81 I82I24-R94 HydrophobicContact CD1-CG 4.28Å; I24-R94 HydrophobicContact CG1-CG 4.19Å; M68-R94 HydrophobicContact CE-CB 4.11Å; M68-R94 VanDerWaalsContact CE-NH2 3.34Å; N73-R94 HydrophobicContact CB-CG 4.12Å; N73-R94 PolarHBondContact O-NE 2.92Å; N73-R94 PolarHBondContact O-NH2 2.03Å; G74-R94 PolarHBondContact O-NH2 2.91Å; V81-R94 CarbonylContact O-C 3.6Å; V81-R94 WeakPolarHBondContact O-CA 3.42Å; I82-R94 HydrophobicContact CD1-CB 3.57Å
95L94.7Very high89.9Confident35 Ų3565.8 Ų65.818%0.18333%0.328CS..EExtended strand (participates in β ladder)trans-140.3135.7-178.7-55.1129.1000108.9M68 N80 V81 I83 I111M68-L95 WeakPolarHBondContact CE-O 3.39Å; N80-L95 CarbonylContact C-O 3.53Å; N80-L95 WeakPolarHBondContact CA-O 3.38Å; V81-L95 HydrophobicContact CB-CB 4.15Å; V81-L95 HydrophobicContact CB-CD1 4.06Å; V81-L95 HydrophobicContact CG1-CD1 4.12Å; V81-L95 PolarHBondContact N-O 2.78Å; V81-L95 PolarHBondContact O-N 2.97Å; I83-L95 HydrophobicContact CD1-CD1 4.41Å; L95-I111 HydrophobicContact CD1-CD1 4.41Å; L95-I111 HydrophobicContact CD1-CG2 3.88Å; L95-I111 HydrophobicContact CD2-CD1 3.43Å; L95-I111 VanDerWaalsContact CD2-CD1 3.43Å
96N95Very high89.5Confident56 Ų5666.9 Ų66.930%0.29934%0.339SS..EExtended strand (participates in β ladder)trans-114.7118.4159.3169-110.9000106G76 R77 L79 N80G76-N96 PolarHBondContact N-ND2 2.88Å; G76-N96 PolarHBondContact O-ND2 2.49Å; R77-N96 PolarHBondContact O-ND2 3.21Å; L79-N96 CarbonylContact O-C 3.39Å; L79-N96 WeakPolarHBondContact O-CA 3.45Å; N80-N96 PolarHBondContact OD1-ND2 3.43Å
97F94.4Very high89.2Confident20 Ų2069.4 Ų69.49%0.08836%0.361CS..EExtended strand (participates in β ladder)trans-111.7100.8178.6-179.2-104.6000107.9G78 L79 T99 E102 D105 L108G78-F97 CarbonylContact C-O 3.6Å; G78-F97 WeakPolarHBondContact CA-O 3.11Å; L79-F97 HydrophobicContact CB-CB 4.37Å; L79-F97 HydrophobicContact CD1-CD1 4.36Å; L79-F97 PolarHBondContact N-O 2.6Å; L79-F97 PolarHBondContact O-N 2.85Å; F97-T99 HydrophobicContact CD1-CG2 3.59Å; F97-T99 HydrophobicContact CE1-CG2 3.8Å; F97-T99 PolarHBondContact O-N 3.2Å; F97-E102 HydrophobicContact CD2-CB 4.02Å; F97-E102 HydrophobicContact CD2-CG 3.96Å; F97-E102 HydrophobicContact CE1-CB 4.45Å; F97-E102 HydrophobicContact CE2-CB 3.37Å; F97-E102 HydrophobicContact CE2-CG 3.81Å; F97-E102 HydrophobicContact CZ-CB 3.62Å; F97-E102 HydrophobicContact CZ-CG 4.45Å; F97-D105 HydrophobicContact CE1-CB 4.33Å; F97-D105 HydrophobicContact CE2-CB 4.49Å; F97-D105 HydrophobicContact CZ-CB 3.75Å; F97-L108 HydrophobicContact CB-CD2 4.41Å; F97-L108 HydrophobicContact CD1-CD2 3.71Å; F97-L108 HydrophobicContact CD2-CB 4.39Å; F97-L108 HydrophobicContact CE1-CD2 4.13Å; F97-L108 HydrophobicContact CG-CD2 4.02Å
98D92.7Very high89.2Confident23 Ų2365.3 Ų65.312%0.12334%0.339CS..  trans-75.293.1177.7-174.3-16.1000109.3R77 F100 L101 E102R77-D98 IonicContact CZ-OD1 2.75Å; R77-D98 IonicContact CZ-OD2 3.56Å; R77-D98 VanDerWaalsContact CZ-OD2 3.32Å; R77-D98 VanDerWaalsContact NE-CG 3.34Å; R77-D98 IonicContact NE-OD1 3.86Å; R77-D98 PolarHBondContact NE-OD1 3.36Å; R77-D98 IonicContact NE-OD2 2.88Å; R77-D98 PolarHBondContact NE-OD2 2.54Å; R77-D98 IonicContact NH2-OD1 2.68Å; R77-D98 PolarHBondContact NH2-OD1 3.11Å; R77-D98 IonicContact NH2-OD2 3.44Å; R77-D98 PolarHBondContact NH2-OD2 2.95Å; D98-F100 PolarHBondContact O-N 3.13Å; D98-F100 WeakPolarHBondContact OD1-CB 3.44Å; D98-F100 PolarHBondContact OD1-N 3Å; D98-L101 HydrophobicContact CB-CB 4.47Å; D98-L101 PolarHBondContact O-N 2.76Å; D98-L101 VanDerWaalsContact O-N 3.09Å; D98-L101 PolarHBondContact OD1-N 3.38Å; D98-L101 WeakPolarHBondContact OD2-CD1 3.33Å; D98-E102 VanDerWaalsContact O-CB 3.26Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 VanDerWaalsContact O-CG 3.28Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 2.92Å
99T86Confident89.2Confident1 Ų163.8 Ų63.81%0.00633%0.328CS..THydrogen-bonded Turntrans-63.9-15.2-174.675.50000112.8L79 F97 A129 H131L79-T99 HydrophobicContact CD1-CG2 4.27Å; L79-T99 HydrophobicContact CG-CG2 3.99Å; F97-T99 HydrophobicContact CD1-CG2 3.59Å; F97-T99 HydrophobicContact CE1-CG2 3.8Å; F97-T99 PolarHBondContact O-N 3.2Å; T99-A129 HydrophobicContact CG2-CB 4.43Å; T99-A129 VanDerWaalsContact OG1-C 3.24Å; T99-A129 VanDerWaalsContact OG1-CA 3.27Å; T99-A129 WeakPolarHBondContact OG1-CA 3.4Å; T99-H131 CarbonylContact C-O 3.53Å; T99-H131 VanDerWaalsContact C-O 3.27Å; T99-H131 WeakPolarHBondContact CB-O 3.32Å; T99-H131 CarbonylContact O-C 3.27Å; T99-H131 PolarHBondContact OG1-O 2.98Å
100F83.5Confident89.3Confident101 Ų10166.6 Ų66.644%0.44334%0.337SS..THydrogen-bonded Turntrans-80.1-36.8176-169.1-90.4000112.7D98 H131D98-F100 PolarHBondContact O-N 3.13Å; D98-F100 WeakPolarHBondContact OD1-CB 3.44Å; D98-F100 PolarHBondContact OD1-N 3Å; F100-H131 HydrophobicContact CD2-CB 4.08Å; F100-H131 AromaticContact CD2-CD2 3.92Å; F100-H131 AromaticContact CD2-CG 3.87Å
101L85.6Confident89.3Confident113 Ų11363.2 Ų63.259%0.59232%0.319SS*.THydrogen-bonded Turntrans-96-36.4-178.1-63.7178.6000112.7R77 D98 K103R77-L101 VanDerWaalsContact NH2-CG 3.35Å; D98-L101 HydrophobicContact CB-CB 4.47Å; D98-L101 PolarHBondContact O-N 2.76Å; D98-L101 VanDerWaalsContact O-N 3.09Å; D98-L101 PolarHBondContact OD1-N 3.38Å; D98-L101 WeakPolarHBondContact OD2-CD1 3.33Å; L101-K103 PolarHBondContact O-N 3.14Å
102E79.8Confident89.2Confident97 Ų9762 Ų6245%0.45331%0.312SS..  trans-77.8112.1-177.8-61.5-67.9169.500109.7F97 D98F97-E102 HydrophobicContact CD2-CB 4.02Å; F97-E102 HydrophobicContact CD2-CG 3.96Å; F97-E102 HydrophobicContact CE1-CB 4.45Å; F97-E102 HydrophobicContact CE2-CB 3.37Å; F97-E102 HydrophobicContact CE2-CG 3.81Å; F97-E102 HydrophobicContact CZ-CB 3.62Å; F97-E102 HydrophobicContact CZ-CG 4.45Å; D98-E102 VanDerWaalsContact O-CB 3.26Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 VanDerWaalsContact O-CG 3.28Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 2.92Å
103K75Confident89.1Confident211 Ų21161.1 Ų61.192%0.91731%0.312SS*.  trans-89.8-17.1177.5-65.2-174.5179.3-178.60113.4L101L101-K103 PolarHBondContact O-N 3.14Å
104D82Confident89Confident96 Ų9662.3 Ų62.351%0.51332%0.321SS..  trans-113.8111.6-179.6-177.79.7000109.3T106D104-T106 WeakPolarHBondContact OD1-CB 3.28Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 3.01Å
105D82.4Confident89Confident29 Ų2960.1 Ų60.116%0.15531%0.313CS..  trans-964.6178.463.1-2.8000113F97 A107 L108 D109 S134 I137F97-D105 HydrophobicContact CE1-CB 4.33Å; F97-D105 HydrophobicContact CE2-CB 4.49Å; F97-D105 HydrophobicContact CZ-CB 3.75Å; D105-A107 PolarHBondContact O-N 3.37Å; D105-A107 VanDerWaalsContact O-N 3.13Å; D105-L108 PolarHBondContact O-N 3.13Å; D105-D109 PolarHBondContact O-N 2.74Å; D105-S134 WeakPolarHBondContact OD2-CB 3.48Å; D105-S134 PolarHBondContact OD2-OG 3.28Å; D105-I137 HydrophobicContact CB-CD1 4.13Å; D105-I137 HydrophobicContact CB-CG1 3.8Å; D105-I137 WeakPolarHBondContact OD2-CG1 3.47Å
106T86.3Confident89Confident85 Ų8561.2 Ų61.252%0.52132%0.322SS..Hα-helixtrans-54.1-37.7179.8-57.30000111.5D104 L110D104-T106 WeakPolarHBondContact OD1-CB 3.28Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 3.01Å; T106-L110 WeakPolarHBondContact O-CB 3.5Å; T106-L110 PolarHBondContact O-N 3.23Å
107A87.5Confident89Confident61 Ų6162 Ų6250%0.50433%0.329SS..Hα-helixtrans-66.2-42.8178.100000112.3D105 I111D105-A107 PolarHBondContact O-N 3.37Å; D105-A107 VanDerWaalsContact O-N 3.13Å; A107-I111 WeakPolarHBondContact O-CB 3.38Å; A107-I111 WeakPolarHBondContact O-CD1 3.41Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.98Å; A107-I111 VanDerWaalsContact O-N 3.15Å
108L91.2Very high88.9Confident5 Ų564.4 Ų64.43%0.02634%0.34CS..Hα-helixtrans-67.1-46.2177.1179.462.9000110.4L79 V81 F97 D105 L110 I111 L112 I137L79-L108 HydrophobicContact CD1-CD2 3.74Å; V81-L108 HydrophobicContact CG2-CD1 4.42Å; F97-L108 HydrophobicContact CB-CD2 4.41Å; F97-L108 HydrophobicContact CD1-CD2 3.71Å; F97-L108 HydrophobicContact CD2-CB 4.39Å; F97-L108 HydrophobicContact CE1-CD2 4.13Å; F97-L108 HydrophobicContact CG-CD2 4.02Å; D105-L108 PolarHBondContact O-N 3.13Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.98Å; L108-I111 PolarHBondContact O-N 2.87Å; L108-L112 HydrophobicContact CD1-CD1 3.89Å; L108-L112 HydrophobicContact CD1-CG 4Å; L108-L112 HydrophobicContact CD2-CD1 4.49Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 HydrophobicContact CG-CG 4.33Å; L108-L112 WeakPolarHBondContact O-CB 3.26Å; L108-L112 VanDerWaalsContact O-CG 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.34Å; L108-L112 PolarHBondContact O-N 2.69Å; L108-I137 HydrophobicContact CB-CD1 4.01Å; L108-I137 HydrophobicContact CD2-CD1 4Å; L108-I137 HydrophobicContact CD2-CG1 4.5Å; L108-I137 HydrophobicContact CD2-CG2 4.09Å; L108-I137 HydrophobicContact CG-CD1 3.89Å
109D90.2Very high89Confident44 Ų4465.1 Ų65.124%0.23534%0.343CS..Hα-helixtrans-61.2-44.6-179.9-168.336.8000111.6D105 I111 L112 S113 I137 T140D105-D109 PolarHBondContact O-N 2.74Å; D109-I111 VanDerWaalsContact C-N 3.32Å; D109-I111 PolarHBondContact O-N 3.25Å; D109-L112 PolarHBondContact O-N 3.26Å; D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.06Å; D109-S113 PolarHBondContact O-OG 3.31Å; D109-S113 PolarHBondContact OD1-OG 2.9Å; D109-I137 VanDerWaalsContact CA-CD1 3.48Å; D109-I137 HydrophobicContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact N-CD1 3.34Å; D109-T140 PolarHBondContact OD1-OG1 2.74Å
110L91.9Very high89.6Confident86 Ų8665.2 Ų65.245%0.4534%0.343SS..Hα-helixtrans-59.7-44.5177.5-176.866.9000111.4T106 L108 Q114T106-L110 WeakPolarHBondContact O-CB 3.5Å; T106-L110 PolarHBondContact O-N 3.23Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.98Å; L110-Q114 HydrophobicContact CD1-CG 4.47Å; L110-Q114 VanDerWaalsContact CD1-NE2 3.34Å; L110-Q114 VanDerWaalsContact O-CB 3.29Å; L110-Q114 WeakPolarHBondContact O-CB 3.2Å; L110-Q114 WeakPolarHBondContact O-CG 3.41Å; L110-Q114 PolarHBondContact O-N 2.62Å; L110-Q114 VanDerWaalsContact O-N 3.1Å
111I93.9Very high90.3Very high23 Ų2360.4 Ų60.412%0.11832%0.322CS..Hα-helixtrans-66-46.3-179.7-71.8169.3000111.1I83 L95 A107 L108 D109 Q114I83-I111 HydrophobicContact CD1-CG2 3.47Å; I83-I111 VanDerWaalsContact CD1-CG2 3.47Å; L95-I111 HydrophobicContact CD1-CD1 4.41Å; L95-I111 HydrophobicContact CD1-CG2 3.88Å; L95-I111 HydrophobicContact CD2-CD1 3.43Å; L95-I111 VanDerWaalsContact CD2-CD1 3.43Å; A107-I111 WeakPolarHBondContact O-CB 3.38Å; A107-I111 WeakPolarHBondContact O-CD1 3.41Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.98Å; A107-I111 VanDerWaalsContact O-N 3.15Å; L108-I111 PolarHBondContact O-N 2.87Å; D109-I111 VanDerWaalsContact C-N 3.32Å; D109-I111 PolarHBondContact O-N 3.25Å; I111-Q114 PolarHBondContact O-N 2.94Å
112L95.6Very high90.9Very high1 Ų155 Ų551%0.00529%0.294CS..Hα-helixtrans-68-40.6-179.6-67.1178.1000111.9V81 L108 D109 Q114 L115 V121 T140 F141 L144V81-L112 HydrophobicContact CG1-CD2 4.47Å; L108-L112 HydrophobicContact CD1-CD1 3.89Å; L108-L112 HydrophobicContact CD1-CG 4Å; L108-L112 HydrophobicContact CD2-CD1 4.49Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 HydrophobicContact CG-CG 4.33Å; L108-L112 WeakPolarHBondContact O-CB 3.26Å; L108-L112 VanDerWaalsContact O-CG 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.34Å; L108-L112 PolarHBondContact O-N 2.69Å; D109-L112 PolarHBondContact O-N 3.26Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.22Å; L112-L115 HydrophobicContact CD2-CD1 4.16Å; L112-L115 VanDerWaalsContact O-CB 3.29Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 WeakPolarHBondContact O-CD1 3.43Å; L112-L115 VanDerWaalsContact O-CG 3.23Å; L112-L115 WeakPolarHBondContact O-CG 3.44Å; L112-L115 PolarHBondContact O-N 2.78Å; L112-V121 HydrophobicContact CD2-CG2 3.89Å; L112-T140 HydrophobicContact CB-CG2 3.5Å; L112-T140 HydrophobicContact CD1-CG2 4.27Å; L112-F141 HydrophobicContact CD1-CD1 4.31Å; L112-F141 HydrophobicContact CD1-CE1 3.64Å; L112-F141 HydrophobicContact CD1-CE2 4.12Å; L112-F141 HydrophobicContact CD1-CZ 3.55Å; L112-F141 HydrophobicContact CD2-CE1 4.25Å; L112-L144 HydrophobicContact CB-CD1 4.24Å; L112-L144 HydrophobicContact CD2-CD1 4.33Å
113S92.6Very high91.8Very high55 Ų5550.4 Ų50.439%0.38527%0.272SS..Hα-helixtrans-65.4-31177.8-70.60000112.7D109 L115 K164D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.06Å; D109-S113 PolarHBondContact O-OG 3.31Å; D109-S113 PolarHBondContact OD1-OG 2.9Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 2.83Å; S113-K164 PolarHBondContact O-NZ 3.33Å
114Q94.3Very high92.9Very high113 Ų11340.4 Ų40.453%0.52823%0.229SC..THydrogen-bonded Turntrans-78.4-4.2176.9-75.6176.50.300114.4L110 I111 L112 T116L110-Q114 HydrophobicContact CD1-CG 4.47Å; L110-Q114 VanDerWaalsContact CD1-NE2 3.34Å; L110-Q114 VanDerWaalsContact O-CB 3.29Å; L110-Q114 WeakPolarHBondContact O-CB 3.2Å; L110-Q114 WeakPolarHBondContact O-CG 3.41Å; L110-Q114 PolarHBondContact O-N 2.62Å; L110-Q114 VanDerWaalsContact O-N 3.1Å; I111-Q114 PolarHBondContact O-N 2.94Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.22Å; Q114-T116 PolarHBondContact O-N 2.85Å
115L95.3Very high93.6Very high7 Ų735.9 Ų35.94%0.03721%0.205CC..  trans-55.6139.8175.4-71.7172.7000111.2I83 L112 S113 Q119 V121 L144 K164I83-L115 HydrophobicContact CB-CD2 4.31Å; I83-L115 HydrophobicContact CD1-CD2 3.62Å; I83-L115 HydrophobicContact CG1-CD2 3.86Å; I83-L115 HydrophobicContact CG2-CD2 3.49Å; I83-L115 VanDerWaalsContact CG2-CD2 3.49Å; L112-L115 HydrophobicContact CD2-CD1 4.16Å; L112-L115 VanDerWaalsContact O-CB 3.29Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 WeakPolarHBondContact O-CD1 3.43Å; L112-L115 VanDerWaalsContact O-CG 3.23Å; L112-L115 WeakPolarHBondContact O-CG 3.44Å; L112-L115 PolarHBondContact O-N 2.78Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 2.83Å; L115-Q119 HydrophobicContact CD2-CB 4.08Å; L115-Q119 VanDerWaalsContact CD2-OE1 3.3Å; L115-V121 HydrophobicContact CD1-CB 3.84Å; L115-V121 HydrophobicContact CD1-CG1 4.15Å; L115-V121 HydrophobicContact CD1-CG2 4.39Å; L115-L144 HydrophobicContact CB-CD2 4.48Å; L115-L144 HydrophobicContact CD1-CD1 3.84Å; L115-L144 HydrophobicContact CD1-CD2 3.84Å; L115-K164 WeakPolarHBondContact O-CD 3.38Å; L115-K164 PolarHBondContact O-NZ 3.26Å; L115-K164 VanDerWaalsContact O-NZ 3.13Å
116T94.6Very high94.3Very high59 Ų5935.4 Ų35.436%0.36220%0.202SC..  trans-90.4164.5171.772.80000110.3Q114 E118 Q119Q114-T116 PolarHBondContact O-N 2.85Å; T116-E118 PolarHBondContact O-N 2.91Å; T116-E118 VanDerWaalsContact O-N 3.16Å; T116-E118 PolarHBondContact OG1-N 3.08Å; T116-Q119 PolarHBondContact O-N 3.33Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.41Å
117T93.5Very high94.6Very high73 Ų7333 Ų3345%0.44819%0.186SC..THydrogen-bonded Turntrans-67.9-9175.255.80000113.4Q163 K164T117-Q163 VanDerWaalsContact O-CD 3.31Å; T117-Q163 PolarHBondContact O-NE2 2.75Å; T117-Q163 VanDerWaalsContact O-NE2 3.11Å; T117-K164 HydrophobicContact CG2-CB 4.44Å; T117-K164 HydrophobicContact CG2-CG 4.43Å
118E92.7Very high94.8Very high70 Ų7030.2 Ų30.233%0.32716%0.162SC..THydrogen-bonded Turntrans-95.9-6.7-179.6-62.6179.6104.400111.9P86 T116 K215P86-E118 WeakPolarHBondContact CD-O 3.38Å; T116-E118 PolarHBondContact O-N 2.91Å; T116-E118 VanDerWaalsContact O-N 3.16Å; T116-E118 PolarHBondContact OG1-N 3.08Å; E118-K215 WeakPolarHBondContact OE1-CB 3.3Å
119Q95.9Very high94.9Very high37 Ų3730 Ų3017%0.17316%0.161CC..  trans-99.4145.7-178.4-70.3165-14.100111I83 L84 L92 L115 T116 Q163I83-Q119 HydrophobicContact CG2-CB 4.15Å; I83-Q119 HydrophobicContact CG2-CG 4.24Å; L84-Q119 CarbonylContact O-C 3.54Å; L84-Q119 WeakPolarHBondContact O-CA 3.43Å; L92-Q119 HydrophobicContact CD1-CG 3.85Å; L115-Q119 HydrophobicContact CD2-CB 4.08Å; L115-Q119 VanDerWaalsContact CD2-OE1 3.3Å; T116-Q119 PolarHBondContact O-N 3.33Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.41Å; Q119-Q163 WeakPolarHBondContact O-CG 3.35Å; Q119-Q163 PolarHBondContact O-NE2 3.02Å; Q119-Q163 VanDerWaalsContact O-NE2 3.14Å
120L97.4Very high95Very high3 Ų329.2 Ų29.22%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-98.3141163-64.2-177.1000109I44 I83 L84 P86 Q163 V210I44-L120 HydrophobicContact CG2-CD1 3.82Å; I83-L120 WeakPolarHBondContact CA-O 3.37Å; L84-L120 HydrophobicContact CB-CB 4.45Å; L84-L120 HydrophobicContact CD2-CD1 4.35Å; L84-L120 PolarHBondContact N-O 3.35Å; L84-L120 PolarHBondContact O-N 2.93Å; P86-L120 HydrophobicContact CB-CD1 3.87Å; P86-L120 HydrophobicContact CB-CG 4.15Å; P86-L120 HydrophobicContact CG-CD1 4.26Å; P86-L120 HydrophobicContact CG-CG 4.01Å; L120-Q163 HydrophobicContact CD2-CB 3.86Å; L120-Q163 HydrophobicContact CD2-CG 4.36Å; L120-V210 HydrophobicContact CD1-CG1 4.01Å
121V98.1Very high94.7Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-106.4130.4163.963.20000108.4V81 I82 L112 L115 V123 L144 F160 I161 G162V81-V121 HydrophobicContact CG1-CG2 3.6Å; I82-V121 CarbonylContact O-C 3.6Å; I82-V121 WeakPolarHBondContact O-CA 3.26Å; L112-V121 HydrophobicContact CD2-CG2 3.89Å; L115-V121 HydrophobicContact CD1-CB 3.84Å; L115-V121 HydrophobicContact CD1-CG1 4.15Å; L115-V121 HydrophobicContact CD1-CG2 4.39Å; V121-V123 HydrophobicContact CG2-CG2 3.89Å; V121-L144 HydrophobicContact CG1-CD1 4.21Å; V121-F160 HydrophobicContact CG1-CE1 4.14Å; V121-I161 CarbonylContact O-C 3.55Å; V121-I161 VanDerWaalsContact O-CA 3.26Å; V121-I161 WeakPolarHBondContact O-CA 3.02Å; V121-G162 PolarHBondContact N-O 3.27Å; V121-G162 PolarHBondContact O-N 3.06Å
122I98.6Very high94.2Very high0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-116.6126173.8-55.6163.1000106.2I46 L48 I60 I62 V81 I82 L84 F160 I161I46-I122 HydrophobicContact CD1-CD1 3.57Å; I46-I122 HydrophobicContact CD1-CG1 4.01Å; I46-I122 HydrophobicContact CG1-CD1 4.13Å; I46-I122 HydrophobicContact CG2-CD1 4.32Å; L48-I122 HydrophobicContact CD2-CG2 4.33Å; I60-I122 HydrophobicContact CD1-CG2 4.11Å; I60-I122 HydrophobicContact CG2-CG2 4.07Å; I62-I122 HydrophobicContact CD1-CD1 3.93Å; I62-I122 HydrophobicContact CG1-CD1 4.35Å; V81-I122 CarbonylContact C-O 3.45Å; V81-I122 VanDerWaalsContact CA-O 3.28Å; V81-I122 WeakPolarHBondContact CA-O 3.49Å; I82-I122 HydrophobicContact CB-CB 4.24Å; I82-I122 HydrophobicContact CB-CD1 4.49Å; I82-I122 HydrophobicContact CG2-CD1 4.26Å; I82-I122 PolarHBondContact N-O 3.33Å; I82-I122 PolarHBondContact O-N 2.92Å; L84-I122 HydrophobicContact CD2-CD1 4.49Å; I122-F160 CarbonylContact C-O 3.47Å; I122-F160 WeakPolarHBondContact CA-O 3.3Å; I122-I161 HydrophobicContact CG1-CG1 4.31Å; I122-I161 HydrophobicContact CG1-CG2 4.09Å; I122-I161 HydrophobicContact CG2-CG1 4.18Å
123V98.5Very high93.9Very high0 Ų031.9 Ų31.90%018%0.181CC..EExtended strand (participates in β ladder)trans-124.2137.3-178.9-169.50000108.8L79 N80 V81 V121 F141 W158 F159 F160L79-V123 HydrophobicContact CB-CG1 4.41Å; L79-V123 HydrophobicContact CD2-CG1 3.84Å; N80-V123 CarbonylContact O-C 3.49Å; N80-V123 WeakPolarHBondContact O-CA 3.12Å; V81-V123 HydrophobicContact CG1-CG2 4.41Å; V81-V123 HydrophobicContact CG2-CG1 4.22Å; V81-V123 HydrophobicContact CG2-CG2 4.37Å; V121-V123 HydrophobicContact CG2-CG2 3.89Å; V123-F141 HydrophobicContact CG1-CZ 4.43Å; V123-F141 HydrophobicContact CG2-CD1 4.49Å; V123-F141 HydrophobicContact CG2-CE1 3.61Å; V123-F141 HydrophobicContact CG2-CZ 4.11Å; V123-W158 HydrophobicContact CB-CH2 4.42Å; V123-W158 HydrophobicContact CB-CZ3 4.1Å; V123-W158 HydrophobicContact CG1-CE3 4.2Å; V123-W158 HydrophobicContact CG1-CH2 4.31Å; V123-W158 HydrophobicContact CG1-CZ3 3.58Å; V123-F159 CarbonylContact O-C 3.57Å; V123-F159 WeakPolarHBondContact O-CA 3.18Å; V123-F159 WeakPolarHBondContact O-CB 3.25Å; V123-F160 HydrophobicContact CB-CB 4.42Å; V123-F160 HydrophobicContact CG2-CD1 4.16Å; V123-F160 PolarHBondContact N-O 2.74Å; V123-F160 PolarHBondContact O-N 2.89Å
124L98.4Very high93.8Very high1 Ų130.9 Ų30.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-140.9125.4177.3-175.664.4000109.8L48 Y49 P58 Y59 I60 N80 F159 V204L48-L124 HydrophobicContact CB-CD2 4.35Å; L48-L124 HydrophobicContact CD1-CD1 4.07Å; Y49-L124 WeakPolarHBondContact O-CD2 3.31Å; P58-L124 HydrophobicContact CB-CD2 3.88Å; P58-L124 HydrophobicContact CB-CG 4.49Å; Y59-L124 WeakPolarHBondContact O-CD2 3.25Å; I60-L124 HydrophobicContact CD1-CB 3.98Å; I60-L124 HydrophobicContact CD1-CD2 4.34Å; I60-L124 HydrophobicContact CG1-CB 4.2Å; I60-L124 HydrophobicContact CG1-CD2 3.72Å; N80-L124 HydrophobicContact CB-CB 4.5Å; N80-L124 VanDerWaalsContact CB-O 3.31Å; N80-L124 WeakPolarHBondContact CB-O 3.05Å; N80-L124 PolarHBondContact N-O 3.26Å; N80-L124 PolarHBondContact ND2-O 3.41Å; N80-L124 VanDerWaalsContact ND2-O 3.14Å; N80-L124 PolarHBondContact O-N 2.87Å; L124-F159 HydrophobicContact CD1-CB 3.87Å; L124-V204 HydrophobicContact CD1-CG2 4.25Å
125T97Very high93.7Very high1 Ų129.6 Ų29.61%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-81.4155.617568.80000111.5S50 G78 L79 A129 L152 G156 S157 W158S50-T125 WeakPolarHBondContact CB-O 3.11Å; G78-T125 WeakPolarHBondContact O-CA 3.02Å; L79-T125 HydrophobicContact CD2-CG2 4.04Å; T125-A129 HydrophobicContact CG2-CB 3.54Å; T125-L152 HydrophobicContact CG2-CD1 4.17Å; T125-L152 HydrophobicContact CG2-CD2 4.03Å; T125-G156 PolarHBondContact OG1-O 2.77Å; T125-S157 WeakPolarHBondContact OG1-CA 3.12Å; T125-W158 HydrophobicContact CG2-CB 3.82Å; T125-W158 HydrophobicContact CG2-CE3 3.87Å; T125-W158 PolarHBondContact N-O 2.88Å; T125-W158 PolarHBondContact OG1-N 3.23Å; T125-W158 PolarHBondContact OG1-O 2.83Å
126H96.2Very high93.6Very high19 Ų1931.2 Ų31.29%0.08819%0.193CC..EExtended strand (participates in β ladder)trans-148.8144166.1-175.664.9000110.5S50 Q53 T56 P58 G76 R77 G78 D128S50-H126 PolarHBondContact O-ND1 3.04Å; Q53-H126 PolarHBondContact O-CE1 3.49Å; T56-H126 PolarHBondContact O-CE1 3.06Å; P58-H126 HydrophobicContact CB-CB 4.02Å; P58-H126 HydrophobicContact CG-CB 3.68Å; G76-H126 WeakPolarHBondContact O-CB 3.45Å; R77-H126 WeakPolarHBondContact CA-O 3.48Å; G78-H126 PolarHBondContact N-O 3.14Å; G78-H126 PolarHBondContact O-N 2.97Å; H126-D128 PolarHBondContact O-N 2.88Å
127D93.5Very high93.5Very high35 Ų3528.4 Ų28.419%0.18718%0.175CC..SBendtrans52.3-100.9-169.4-17423.8000111.7R77 R155 W200R77-D127 HydrophobicContact CB-CB 4.29Å; R77-D127 WeakPolarHBondContact CD-OD2 3.31Å; R77-D127 HydrophobicContact CG-CB 4.02Å; D127-R155 VanDerWaalsContact O-CA 3.3Å; D127-R155 WeakPolarHBondContact O-CA 3.4Å; D127-R155 IonicContact OD1-NE 3.67Å; D127-W200 PolarHBondContact OD1-NE1 3.32Å
128D91.3Very high93.6Very high2 Ų227.2 Ų27.21%0.01116%0.164CC..  trans-121137172.2-175.158.5000111.7R77 G78 H126 S130 H131 F154 R155R77-D128 WeakPolarHBondContact CG-O 3.43Å; G78-D128 WeakPolarHBondContact CA-O 3.49Å; G78-D128 PolarHBondContact N-O 3.09Å; H126-D128 PolarHBondContact O-N 2.88Å; D128-S130 PolarHBondContact OD1-N 3.08Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-S130 PolarHBondContact OD2-N 3.29Å; D128-H131 WeakPolarHBondContact OD2-CB 3.34Å; D128-H131 PolarHBondContact OD2-N 3.2Å; D128-F154 HydrophobicContact CB-CD2 4.26Å; D128-F154 HydrophobicContact CB-CE2 4.16Å; D128-F154 WeakPolarHBondContact OD1-CA 3.34Å; D128-F154 WeakPolarHBondContact OD1-CD2 3.49Å; D128-R155 HydrophobicContact CB-CG 4.28Å; D128-R155 PolarHBondContact OD1-N 3.35Å
129A93.5Very high93.7Very high0 Ų030.5 Ų30.50%018%0.177CC..  trans-132.312.3175.500000112.4L79 T99 T125 L152L79-A129 HydrophobicContact CD2-CB 3.84Å; L79-A129 HydrophobicContact CG-CB 4.23Å; T99-A129 HydrophobicContact CG2-CB 4.43Å; T99-A129 VanDerWaalsContact OG1-C 3.24Å; T99-A129 VanDerWaalsContact OG1-CA 3.27Å; T99-A129 WeakPolarHBondContact OG1-CA 3.4Å; T125-A129 HydrophobicContact CG2-CB 3.54Å; A129-L152 HydrophobicContact CB-CD2 4.24Å
130S91.5Very high93.7Very high29 Ų2929.4 Ų29.420%0.20317%0.173CC..  trans-101.5-32.1-174.471.40000112.3D128 G132 L133 N153 F154D128-S130 PolarHBondContact OD1-N 3.08Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-S130 PolarHBondContact OD2-N 3.29Å; S130-G132 PolarHBondContact O-N 3.11Å; S130-L133 WeakPolarHBondContact O-CB 3.37Å; S130-L133 PolarHBondContact O-N 3.37Å; S130-N153 VanDerWaalsContact CB-C 3.45Å; S130-N153 WeakPolarHBondContact CB-O 3.47Å; S130-N153 PolarHBondContact OG-O 2.83Å; S130-F154 WeakPolarHBondContact OG-CA 3.29Å; S130-F154 PolarHBondContact OG-N 3.4Å
131H87.1Confident93.7Very high102 Ų10229.2 Ų29.247%0.47217%0.172SC..THydrogen-bonded Turntrans-60.5136.7174.1-162.580.6000109.4T99 F100 D128 L133T99-H131 CarbonylContact C-O 3.53Å; T99-H131 VanDerWaalsContact C-O 3.27Å; T99-H131 WeakPolarHBondContact CB-O 3.32Å; T99-H131 CarbonylContact O-C 3.27Å; T99-H131 PolarHBondContact OG1-O 2.98Å; F100-H131 HydrophobicContact CD2-CB 4.08Å; F100-H131 AromaticContact CD2-CD2 3.92Å; F100-H131 AromaticContact CD2-CG 3.87Å; D128-H131 WeakPolarHBondContact OD2-CB 3.34Å; D128-H131 PolarHBondContact OD2-N 3.2Å; H131-L133 PolarHBondContact O-N 2.78Å
132G83Confident93.6Very high46 Ų4632.9 Ų32.947%0.47419%0.189SC..THydrogen-bonded Turntrans70.4-3.2178.200000116.6S130 S134S130-G132 PolarHBondContact O-N 3.11Å; G132-S134 PolarHBondContact O-N 2.9Å
133L89.3Confident93.5Very high17 Ų1736.8 Ų36.89%0.08922%0.217CC..  trans-72.6100.2179.3-172.166.8000111.2L79 S130 H131 I137 K138 I149 L152L79-L133 HydrophobicContact CD1-CD1 4.04Å; S130-L133 WeakPolarHBondContact O-CB 3.37Å; S130-L133 PolarHBondContact O-N 3.37Å; H131-L133 PolarHBondContact O-N 2.78Å; L133-I137 HydrophobicContact CD1-CB 4.08Å; L133-I137 HydrophobicContact CD1-CG2 3.49Å; L133-I137 VanDerWaalsContact CD1-CG2 3.49Å; L133-K138 HydrophobicContact CD2-CG 4.1Å; L133-K138 HydrophobicContact CG-CG 4.08Å; L133-I149 HydrophobicContact CD2-CD1 3.82Å; L133-I149 HydrophobicContact CD2-CG1 4.38Å; L133-L152 HydrophobicContact CD2-CD2 4.08Å
134S90.4Very high93.4Very high34 Ų3436.9 Ų36.924%0.23822%0.217CC..  trans-70.4160.7-174.682.40000113.7D105 G132 A136 I137 K138D105-S134 WeakPolarHBondContact OD2-CB 3.48Å; D105-S134 PolarHBondContact OD2-OG 3.28Å; G132-S134 PolarHBondContact O-N 2.9Å; S134-A136 PolarHBondContact O-N 2.76Å; S134-A136 PolarHBondContact OG-N 3.16Å; S134-I137 PolarHBondContact O-N 3.48Å; S134-I137 PolarHBondContact OG-N 2.04Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.41Å; S134-K138 VanDerWaalsContact O-N 3.11Å
135S92.3Very high93.4Very high87 Ų8737 Ų3761%0.60822%0.218SC*.Hα-helixtrans-62-26.1172.561.50000113.1K139S135-K139 VanDerWaalsContact O-CG 3.29Å; S135-K139 WeakPolarHBondContact O-CG 3.43Å; S135-K139 PolarHBondContact O-N 3.28Å; S135-K139 VanDerWaalsContact O-N 3.12Å
136A91.9Very high93.4Very high41 Ų4136.9 Ų36.934%0.33922%0.218SC..Hα-helixtrans-68.7-49.9176.200000110.6S134 K138 K139 T140S134-A136 PolarHBondContact O-N 2.76Å; S134-A136 PolarHBondContact OG-N 3.16Å; A136-K138 VanDerWaalsContact C-N 3.32Å; A136-K138 PolarHBondContact O-N 3.4Å; A136-K139 WeakPolarHBondContact O-CB 3.15Å; A136-K139 PolarHBondContact O-N 3.36Å; A136-K139 VanDerWaalsContact O-N 3.12Å; A136-T140 PolarHBondContact O-N 3.13Å; A136-T140 PolarHBondContact O-OG1 2.79Å
137I92.9Very high93.5Very high0 Ų038.3 Ų38.30%023%0.229CC..Hα-helixtrans-60.9-41.3177.1-65.1-67.3000111.7D105 L108 D109 L133 S134 K139 T140 F141D105-I137 HydrophobicContact CB-CD1 4.13Å; D105-I137 HydrophobicContact CB-CG1 3.8Å; D105-I137 WeakPolarHBondContact OD2-CG1 3.47Å; L108-I137 HydrophobicContact CB-CD1 4.01Å; L108-I137 HydrophobicContact CD2-CD1 4Å; L108-I137 HydrophobicContact CD2-CG1 4.5Å; L108-I137 HydrophobicContact CD2-CG2 4.09Å; L108-I137 HydrophobicContact CG-CD1 3.89Å; D109-I137 VanDerWaalsContact CA-CD1 3.48Å; D109-I137 HydrophobicContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact N-CD1 3.34Å; L133-I137 HydrophobicContact CD1-CB 4.08Å; L133-I137 HydrophobicContact CD1-CG2 3.49Å; L133-I137 VanDerWaalsContact CD1-CG2 3.49Å; S134-I137 PolarHBondContact O-N 3.48Å; S134-I137 PolarHBondContact OG-N 2.04Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 2.89Å; I137-T140 WeakPolarHBondContact O-CB 3.16Å; I137-T140 PolarHBondContact O-N 2.9Å; I137-T140 VanDerWaalsContact O-N 3.14Å; I137-F141 HydrophobicContact CG2-CD2 3.69Å; I137-F141 HydrophobicContact CG2-CE2 3.42Å; I137-F141 VanDerWaalsContact CG2-CE2 3.42Å; I137-F141 HydrophobicContact CG2-CZ 4.44Å; I137-F141 WeakPolarHBondContact O-CD2 2.87Å; I137-F141 PolarHBondContact O-N 3.02Å
138K95.5Very high93.7Very high47 Ų4738.7 Ų38.720%0.20423%0.231CC..Hα-helixtrans-58.6-44.9175.3-66.7-172.1176.8-169.10111.8L133 S134 A136 T140 F141 Q142 I149 D150L133-K138 HydrophobicContact CD2-CG 4.1Å; L133-K138 HydrophobicContact CG-CG 4.08Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.41Å; S134-K138 VanDerWaalsContact O-N 3.11Å; A136-K138 VanDerWaalsContact C-N 3.32Å; A136-K138 PolarHBondContact O-N 3.4Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 3.28Å; K138-F141 PolarHBondContact O-N 2.85Å; K138-Q142 VanDerWaalsContact O-CG 3.32Å; K138-Q142 WeakPolarHBondContact O-CG 3.27Å; K138-Q142 PolarHBondContact O-N 3.03Å; K138-I149 HydrophobicContact CB-CG1 4.29Å; K138-I149 HydrophobicContact CB-CG2 4.36Å; K138-I149 HydrophobicContact CG-CG1 3.97Å; K138-D150 WeakPolarHBondContact CD-OD1 3.35Å
139K95.7Very high94Very high139 Ų13938.6 Ų38.660%0.60423%0.23SC*.Hα-helixtrans-62.2-38.9174.5-74.1173.2-178-179.60112.3S135 A136 I137 Q142 S143S135-K139 VanDerWaalsContact O-CG 3.29Å; S135-K139 WeakPolarHBondContact O-CG 3.43Å; S135-K139 PolarHBondContact O-N 3.28Å; S135-K139 VanDerWaalsContact O-N 3.12Å; A136-K139 WeakPolarHBondContact O-CB 3.15Å; A136-K139 PolarHBondContact O-N 3.36Å; A136-K139 VanDerWaalsContact O-N 3.12Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 2.89Å; K139-Q142 PolarHBondContact O-N 3.07Å; K139-S143 PolarHBondContact O-N 2.95Å
140T95.6Very high94.1Very high14 Ų1443 Ų439%0.08625%0.254CS..Hα-helixtrans-62.5-44.9175.7-60.50000110.8D109 L112 A136 I137 K138 S143 L144D109-T140 PolarHBondContact OD1-OG1 2.74Å; L112-T140 HydrophobicContact CB-CG2 3.5Å; L112-T140 HydrophobicContact CD1-CG2 4.27Å; A136-T140 PolarHBondContact O-N 3.13Å; A136-T140 PolarHBondContact O-OG1 2.79Å; I137-T140 WeakPolarHBondContact O-CB 3.16Å; I137-T140 PolarHBondContact O-N 2.9Å; I137-T140 VanDerWaalsContact O-N 3.14Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 3.28Å; T140-S143 PolarHBondContact O-N 2.83Å; T140-S143 PolarHBondContact O-OG 2.73Å; T140-L144 HydrophobicContact CG2-CD1 4.25Å; T140-L144 WeakPolarHBondContact O-CG 3.36Å; T140-L144 PolarHBondContact O-N 2.97Å; T140-L144 VanDerWaalsContact O-N 3.14Å
141F97.4Very high94.2Very high0 Ų047.6 Ų47.60%027%0.27CS..Hα-helixtrans-63.7-40.6173.9-76.3-55.4000113.5L79 L112 V123 I137 K138 S143 L144 G145 S146 I149 W158 F160L79-F141 HydrophobicContact CD1-CE2 4.03Å; L79-F141 HydrophobicContact CD1-CZ 4.23Å; L112-F141 HydrophobicContact CD1-CD1 4.31Å; L112-F141 HydrophobicContact CD1-CE1 3.64Å; L112-F141 HydrophobicContact CD1-CE2 4.12Å; L112-F141 HydrophobicContact CD1-CZ 3.55Å; L112-F141 HydrophobicContact CD2-CE1 4.25Å; V123-F141 HydrophobicContact CG1-CZ 4.43Å; V123-F141 HydrophobicContact CG2-CD1 4.49Å; V123-F141 HydrophobicContact CG2-CE1 3.61Å; V123-F141 HydrophobicContact CG2-CZ 4.11Å; I137-F141 HydrophobicContact CG2-CD2 3.69Å; I137-F141 HydrophobicContact CG2-CE2 3.42Å; I137-F141 VanDerWaalsContact CG2-CE2 3.42Å; I137-F141 HydrophobicContact CG2-CZ 4.44Å; I137-F141 WeakPolarHBondContact O-CD2 2.87Å; I137-F141 PolarHBondContact O-N 3.02Å; K138-F141 PolarHBondContact O-N 2.85Å; F141-S143 VanDerWaalsContact C-N 3.3Å; F141-S143 PolarHBondContact O-N 3.09Å; F141-L144 HydrophobicContact CD1-CD1 4.48Å; F141-L144 CarbonylContact O-C 3.59Å; F141-L144 PolarHBondContact O-N 2.88Å; F141-L144 VanDerWaalsContact O-N 3.09Å; F141-G145 PolarHBondContact O-N 2.89Å; F141-G145 VanDerWaalsContact O-N 3.13Å; F141-S146 WeakPolarHBondContact O-CB 3.19Å; F141-S146 PolarHBondContact O-N 3.47Å; F141-I149 HydrophobicContact CB-CB 4.31Å; F141-I149 HydrophobicContact CB-CG1 4.15Å; F141-I149 HydrophobicContact CB-CG2 4.34Å; F141-I149 HydrophobicContact CD2-CD1 4.01Å; F141-I149 HydrophobicContact CD2-CG1 4.05Å; F141-I149 HydrophobicContact CG-CG1 4.46Å; F141-W158 HydrophobicContact CD1-CH2 4.23Å; F141-W158 HydrophobicContact CD2-CH2 4.33Å; F141-W158 HydrophobicContact CE1-CH2 4.46Å; F141-W158 HydrophobicContact CG-CH2 4.19Å; F141-F160 HydrophobicContact CD1-CD1 4.07Å; F141-F160 HydrophobicContact CD1-CE1 4.05Å
142Q97Very high94.5Very high77 Ų7743.2 Ų43.236%0.3625%0.25SC..Hα-helixtrans-58.2-42.9172.8-70.3166.8-11.500111.2K138 K139 L144 G145 I149 D150K138-Q142 VanDerWaalsContact O-CG 3.32Å; K138-Q142 WeakPolarHBondContact O-CG 3.27Å; K138-Q142 PolarHBondContact O-N 3.03Å; K139-Q142 PolarHBondContact O-N 3.07Å; Q142-L144 PolarHBondContact O-N 3.44Å; Q142-G145 PolarHBondContact O-N 3.14Å; Q142-I149 HydrophobicContact CG-CG2 3.83Å; Q142-D150 PolarHBondContact NE2-OD2 3.07Å
143S95.6Very high95Very high82 Ų8244.1 Ų44.157%0.57324%0.244SC*.Hα-helixtrans-64.9-23.417784.50000113.8K139 T140 F141K139-S143 PolarHBondContact O-N 2.95Å; T140-S143 PolarHBondContact O-N 2.83Å; T140-S143 PolarHBondContact O-OG 2.73Å; F141-S143 VanDerWaalsContact C-N 3.3Å; F141-S143 PolarHBondContact O-N 3.09Å
144L96.8Very high95.1Very high2 Ų248 Ų481%0.0126%0.26CS..THydrogen-bonded Turntrans-89.7-6.1176-65.4168000112.7L112 L115 V121 T140 F141 Q142 F160 G162 Q163 K164L112-L144 HydrophobicContact CB-CD1 4.24Å; L112-L144 HydrophobicContact CD2-CD1 4.33Å; L115-L144 HydrophobicContact CB-CD2 4.48Å; L115-L144 HydrophobicContact CD1-CD1 3.84Å; L115-L144 HydrophobicContact CD1-CD2 3.84Å; V121-L144 HydrophobicContact CG1-CD1 4.21Å; T140-L144 HydrophobicContact CG2-CD1 4.25Å; T140-L144 WeakPolarHBondContact O-CG 3.36Å; T140-L144 PolarHBondContact O-N 2.97Å; T140-L144 VanDerWaalsContact O-N 3.14Å; F141-L144 HydrophobicContact CD1-CD1 4.48Å; F141-L144 CarbonylContact O-C 3.59Å; F141-L144 PolarHBondContact O-N 2.88Å; F141-L144 VanDerWaalsContact O-N 3.09Å; Q142-L144 PolarHBondContact O-N 3.44Å; L144-F160 HydrophobicContact CB-CE1 4.19Å; L144-F160 HydrophobicContact CB-CZ 4.23Å; L144-G162 WeakPolarHBondContact O-CA 3.34Å; L144-Q163 PolarHBondContact O-N 3.18Å; L144-Q163 VanDerWaalsContact O-N 3.14Å; L144-K164 HydrophobicContact CD2-CB 3.98Å
145G97.3Very high95.2Very high2 Ų249.2 Ų49.22%0.02126%0.26CS..THydrogen-bonded Turntrans117.44.5174.100000116.3F141 Q142 S147 F160 F169 S170F141-G145 PolarHBondContact O-N 2.89Å; F141-G145 VanDerWaalsContact O-N 3.13Å; Q142-G145 PolarHBondContact O-N 3.14Å; G145-S147 PolarHBondContact O-N 3Å; G145-F160 VanDerWaalsContact C-CE2 3.49Å; G145-F169 CarbonylContact O-C 3.57Å; G145-F169 VanDerWaalsContact O-CA 3.28Å; G145-F169 WeakPolarHBondContact O-CA 3.06Å; G145-S170 PolarHBondContact O-N 2.88Å
146S98.2Very high95.2Very high0 Ų045 Ų450%023%0.231CC..  trans-72.4131.4178.8172.50000111.1F141 M148 I149 F160 E173F141-S146 WeakPolarHBondContact O-CB 3.19Å; F141-S146 PolarHBondContact O-N 3.47Å; S146-M148 PolarHBondContact OG-N 3.02Å; S146-I149 VanDerWaalsContact OG-CB 3.26Å; S146-I149 WeakPolarHBondContact OG-CB 3.44Å; S146-I149 PolarHBondContact OG-N 2.87Å; S146-F160 VanDerWaalsContact CA-CE2 3.47Å; S146-F160 VanDerWaalsContact N-CE2 3.31Å; S146-F160 VanDerWaalsContact N-CZ 3.33Å; S146-E173 WeakPolarHBondContact CB-OE1 3.44Å; S146-E173 PolarHBondContact OG-OE1 3.28Å
147S97.8Very high95.3Very high48 Ų4843.6 Ų43.634%0.33622%0.218SC..SBendtrans-102-17.3170.767.20000112.7G145 E173G145-S147 PolarHBondContact O-N 3Å; S147-E173 PolarHBondContact N-OE2 2.92Å; S147-E173 PolarHBondContact OG-OE2 2.8Å
148M97.5Very high95.5Very high44 Ų4443.6 Ų43.622%0.21722%0.218CC..SBendtrans-115.8-0.4-169.4-49.7-162.1-162.300114.3S146 D150 K151 E173 V175S146-M148 PolarHBondContact OG-N 3.02Å; M148-D150 PolarHBondContact O-N 3.04Å; M148-D150 VanDerWaalsContact O-N 3.13Å; M148-K151 HydrophobicContact CB-CD 4.18Å; M148-K151 HydrophobicContact CG-CD 4.41Å; M148-K151 WeakPolarHBondContact O-CA 3.41Å; M148-K151 VanDerWaalsContact O-CB 3.26Å; M148-K151 WeakPolarHBondContact O-CB 3.17Å; M148-K151 PolarHBondContact O-N 2.76Å; M148-E173 HydrophobicContact CB-CG 4.11Å; M148-E173 WeakPolarHBondContact CB-OE1 3.25Å; M148-E173 HydrophobicContact CG-CG 4.1Å; M148-E173 PolarHBondContact N-OE1 2.98Å; M148-E173 VanDerWaalsContact N-OE1 3.13Å; M148-E173 PolarHBondContact N-OE2 3.46Å; M148-E173 VanDerWaalsContact N-OE2 3.14Å; M148-E173 HydrophobicContact SD-CG 4.47Å; M148-V175 HydrophobicContact CB-CB 4.5Å; M148-V175 HydrophobicContact CB-CG1 4.02Å; M148-V175 HydrophobicContact CG-CG1 4.5Å; M148-V175 HydrophobicContact SD-CG1 3.75Å
149I97.1Very high95.6Very high0 Ų041.8 Ų41.80%021%0.21CC..G310 helixtrans-56.9-32.1-178.7-172.756.8000113.5L133 K138 F141 Q142 S146 K151 L152 W158L133-I149 HydrophobicContact CD2-CD1 3.82Å; L133-I149 HydrophobicContact CD2-CG1 4.38Å; K138-I149 HydrophobicContact CB-CG1 4.29Å; K138-I149 HydrophobicContact CB-CG2 4.36Å; K138-I149 HydrophobicContact CG-CG1 3.97Å; F141-I149 HydrophobicContact CB-CB 4.31Å; F141-I149 HydrophobicContact CB-CG1 4.15Å; F141-I149 HydrophobicContact CB-CG2 4.34Å; F141-I149 HydrophobicContact CD2-CD1 4.01Å; F141-I149 HydrophobicContact CD2-CG1 4.05Å; F141-I149 HydrophobicContact CG-CG1 4.46Å; Q142-I149 HydrophobicContact CG-CG2 3.83Å; S146-I149 VanDerWaalsContact OG-CB 3.26Å; S146-I149 WeakPolarHBondContact OG-CB 3.44Å; S146-I149 PolarHBondContact OG-N 2.87Å; I149-K151 PolarHBondContact O-N 3.45Å; I149-L152 HydrophobicContact CD1-CB 4.49Å; I149-L152 HydrophobicContact CD1-CD2 4.17Å; I149-L152 WeakPolarHBondContact O-CB 3.42Å; I149-L152 PolarHBondContact O-N 3.44Å; I149-W158 HydrophobicContact CB-CZ2 4.28Å; I149-W158 HydrophobicContact CD1-CE3 4.18Å; I149-W158 HydrophobicContact CD1-CH2 3.56Å; I149-W158 HydrophobicContact CD1-CZ2 3.9Å; I149-W158 HydrophobicContact CD1-CZ3 3.69Å; I149-W158 HydrophobicContact CG1-CH2 4.47Å
150D95.4Very high95.7Very high93 Ų9335.2 Ų35.250%0.49718%0.182SC..G310 helixtrans-71.8-16.9176.1-68.7-54.6000113.6K138 Q142 M148K138-D150 WeakPolarHBondContact CD-OD1 3.35Å; Q142-D150 PolarHBondContact NE2-OD2 3.07Å; M148-D150 PolarHBondContact O-N 3.04Å; M148-D150 VanDerWaalsContact O-N 3.13Å
151K93.9Very high95.9Very high125 Ų12534.6 Ų34.654%0.54318%0.178SC..G310 helixtrans-85.5-13.5176.3-54.9179.6-177.1172.50112.5M148 I149 N153 V175M148-K151 HydrophobicContact CB-CD 4.18Å; M148-K151 HydrophobicContact CG-CD 4.41Å; M148-K151 WeakPolarHBondContact O-CA 3.41Å; M148-K151 VanDerWaalsContact O-CB 3.26Å; M148-K151 WeakPolarHBondContact O-CB 3.17Å; M148-K151 PolarHBondContact O-N 2.76Å; I149-K151 PolarHBondContact O-N 3.45Å; K151-N153 PolarHBondContact O-N 3.37Å; K151-V175 HydrophobicContact CB-CG1 4.1Å; K151-V175 HydrophobicContact CD-CG1 4.19Å
152L94Very high95.9Very high9 Ų934.7 Ų34.75%0.04718%0.179CC..  trans-64.4119.5176.8179.958.9000109.7T125 A129 L133 I149 W158T125-L152 HydrophobicContact CG2-CD1 4.17Å; T125-L152 HydrophobicContact CG2-CD2 4.03Å; A129-L152 HydrophobicContact CB-CD2 4.24Å; L133-L152 HydrophobicContact CD2-CD2 4.08Å; I149-L152 HydrophobicContact CD1-CB 4.49Å; I149-L152 HydrophobicContact CD1-CD2 4.17Å; I149-L152 WeakPolarHBondContact O-CB 3.42Å; I149-L152 PolarHBondContact O-N 3.44Å; L152-W158 HydrophobicContact CD1-CB 3.88Å; L152-W158 HydrophobicContact CD2-CE3 4.08Å
153N92.3Very high95.8Very high65 Ų6531.4 Ų31.435%0.34816%0.164SC..  trans-123.6179.1-176.961.923.3000111.5S130 K151 R155 G156 S177S130-N153 VanDerWaalsContact CB-C 3.45Å; S130-N153 WeakPolarHBondContact CB-O 3.47Å; S130-N153 PolarHBondContact OG-O 2.83Å; K151-N153 PolarHBondContact O-N 3.37Å; N153-R155 PolarHBondContact O-N 3.02Å; N153-R155 VanDerWaalsContact O-N 3.16Å; N153-G156 PolarHBondContact O-N 3.15Å; N153-S177 VanDerWaalsContact ND2-CB 3.34Å; N153-S177 WeakPolarHBondContact ND2-CB 3.31Å
154F92.2Very high95.8Very high100 Ų10031.5 Ų31.544%0.43915%0.153SC..THydrogen-bonded Turntrans-54.1121.8-179.3-179-114.3000111.2D128 S130 G156 Q178D128-F154 HydrophobicContact CB-CD2 4.26Å; D128-F154 HydrophobicContact CB-CE2 4.16Å; D128-F154 WeakPolarHBondContact OD1-CA 3.34Å; D128-F154 WeakPolarHBondContact OD1-CD2 3.49Å; S130-F154 WeakPolarHBondContact OG-CA 3.29Å; S130-F154 PolarHBondContact OG-N 3.4Å; F154-G156 PolarHBondContact O-N 3.19Å; F154-Q178 PolarHBondContact O-NE2 2.93Å
155R91.7Very high95.5Very high58 Ų5833.6 Ų33.622%0.21918%0.176CC..THydrogen-bonded Turntrans56.227.3-176.3-61.6176.3170.4-173.8-3.3114.9D127 D128 N153 K199 W200 A201D127-R155 VanDerWaalsContact O-CA 3.3Å; D127-R155 WeakPolarHBondContact O-CA 3.4Å; D127-R155 IonicContact OD1-NE 3.67Å; D128-R155 HydrophobicContact CB-CG 4.28Å; D128-R155 PolarHBondContact OD1-N 3.35Å; N153-R155 PolarHBondContact O-N 3.02Å; N153-R155 VanDerWaalsContact O-N 3.16Å; R155-K199 WeakPolarHBondContact CD-O 2.99Å; R155-K199 PolarHBondContact NH1-O 2.92Å; R155-W200 HydrophobicContact CB-CG 4.29Å; R155-W200 VanDerWaalsContact CZ-CZ2 3.43Å; R155-W200 VanDerWaalsContact NH1-CZ2 3.34Å; R155-A201 WeakPolarHBondContact O-CB 3.49Å; R155-A201 PolarHBondContact O-N 2.86Å
156G92.3Very high95.2Very high0 Ų035.8 Ų35.80%019%0.187CC..  trans-73.8140.6169.400000111.5T125 N153 F154 C176T125-G156 PolarHBondContact OG1-O 2.77Å; N153-G156 PolarHBondContact O-N 3.15Å; F154-G156 PolarHBondContact O-N 3.19Å; G156-C176 WeakPolarHBondContact CA-O 3.17Å
157S94.6Very high94.8Very high11 Ų1145.3 Ų45.38%0.07723%0.228CC..EExtended strand (participates in β ladder)trans-92.5127.5173.1-62.50000108.4T125 V175 C176 P202T125-S157 WeakPolarHBondContact OG1-CA 3.12Å; S157-V175 CarbonylContact O-C 3.57Å; S157-V175 VanDerWaalsContact O-CA 3.31Å; S157-V175 WeakPolarHBondContact O-CA 3.16Å; S157-C176 PolarHBondContact N-O 3.46Å; S157-C176 PolarHBondContact O-N 2.9Å; S157-P202 WeakPolarHBondContact CB-O 3.44Å; S157-P202 PolarHBondContact OG-O 3.16Å
158W97Very high94.6Very high0 Ų045.8 Ų45.80%024%0.241CC..EExtended strand (participates in β ladder)trans-145.5140.8-179.6175.167.3000110.2L79 V123 T125 F141 I149 L152 F160 E173 D174 V175L79-W158 HydrophobicContact CD2-CE3 4.38Å; L79-W158 HydrophobicContact CD2-CZ3 4.13Å; V123-W158 HydrophobicContact CB-CH2 4.42Å; V123-W158 HydrophobicContact CB-CZ3 4.1Å; V123-W158 HydrophobicContact CG1-CE3 4.2Å; V123-W158 HydrophobicContact CG1-CH2 4.31Å; V123-W158 HydrophobicContact CG1-CZ3 3.58Å; T125-W158 HydrophobicContact CG2-CB 3.82Å; T125-W158 HydrophobicContact CG2-CE3 3.87Å; T125-W158 PolarHBondContact N-O 2.88Å; T125-W158 PolarHBondContact OG1-N 3.23Å; T125-W158 PolarHBondContact OG1-O 2.83Å; F141-W158 HydrophobicContact CD1-CH2 4.23Å; F141-W158 HydrophobicContact CD2-CH2 4.33Å; F141-W158 HydrophobicContact CE1-CH2 4.46Å; F141-W158 HydrophobicContact CG-CH2 4.19Å; I149-W158 HydrophobicContact CB-CZ2 4.28Å; I149-W158 HydrophobicContact CD1-CE3 4.18Å; I149-W158 HydrophobicContact CD1-CH2 3.56Å; I149-W158 HydrophobicContact CD1-CZ2 3.9Å; I149-W158 HydrophobicContact CD1-CZ3 3.69Å; I149-W158 HydrophobicContact CG1-CH2 4.47Å; L152-W158 HydrophobicContact CD1-CB 3.88Å; L152-W158 HydrophobicContact CD2-CE3 4.08Å; W158-F160 HydrophobicContact CD2-CB 4.38Å; W158-F160 HydrophobicContact CH2-CB 3.57Å; W158-F160 HydrophobicContact CH2-CD1 4.06Å; W158-F160 HydrophobicContact CH2-CG 4.05Å; W158-F160 HydrophobicContact CZ2-CB 3.14Å; W158-F160 HydrophobicContact CZ2-CD1 4.11Å; W158-F160 HydrophobicContact CZ2-CD2 4.41Å; W158-F160 AromaticContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ3-CB 4.36Å; W158-E173 PolarHBondContact NE1-OE1 2.75Å; W158-D174 WeakPolarHBondContact CA-O 3.34Å; W158-V175 HydrophobicContact CB-CG2 4.27Å
159F98.2Very high94.6Very high9 Ų950.3 Ų50.34%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-129.5152.1163.182.4-93.9000109.5L48 V123 L124 I161 E173 D174 V204 A206 M208L48-F159 HydrophobicContact CD1-CB 3.67Å; L48-F159 HydrophobicContact CD1-CD1 3.71Å; L48-F159 HydrophobicContact CD1-CD2 4.04Å; L48-F159 HydrophobicContact CD1-CE1 4.33Å; L48-F159 HydrophobicContact CD1-CG 3.53Å; L48-F159 HydrophobicContact CD2-CB 3.93Å; L48-F159 HydrophobicContact CD2-CD2 3.67Å; L48-F159 HydrophobicContact CD2-CE2 4.42Å; L48-F159 HydrophobicContact CD2-CG 3.89Å; L48-F159 HydrophobicContact CG-CB 4.48Å; L48-F159 HydrophobicContact CG-CD2 4.47Å; L48-F159 HydrophobicContact CG-CG 4.38Å; V123-F159 CarbonylContact O-C 3.57Å; V123-F159 WeakPolarHBondContact O-CA 3.18Å; V123-F159 WeakPolarHBondContact O-CB 3.25Å; L124-F159 HydrophobicContact CD1-CB 3.87Å; F159-I161 HydrophobicContact CD2-CG1 4.46Å; F159-E173 WeakPolarHBondContact O-CA 3.16Å; F159-D174 HydrophobicContact CD1-CB 3.91Å; F159-D174 HydrophobicContact CE1-CB 3.32Å; F159-D174 HydrophobicContact CZ-CB 3.99Å; F159-D174 PolarHBondContact N-O 2.91Å; F159-D174 VanDerWaalsContact N-O 3.08Å; F159-D174 PolarHBondContact O-N 3.01Å; F159-V204 HydrophobicContact CB-CG2 4.13Å; F159-V204 HydrophobicContact CD1-CB 3.92Å; F159-V204 HydrophobicContact CD1-CG2 3.86Å; F159-A206 HydrophobicContact CE1-CB 3.98Å; F159-A206 HydrophobicContact CE2-CB 4.46Å; F159-A206 HydrophobicContact CZ-CB 3.86Å; F159-M208 HydrophobicContact CE2-CE 3.59Å; F159-M208 HydrophobicContact CZ-CE 3.66Å
160F98.6Very high94.6Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-149.1133.8177167.3-111.9000110.5V121 I122 V123 F141 L144 G145 S146 W158 E173V121-F160 HydrophobicContact CG1-CE1 4.14Å; I122-F160 CarbonylContact C-O 3.47Å; I122-F160 WeakPolarHBondContact CA-O 3.3Å; V123-F160 HydrophobicContact CB-CB 4.42Å; V123-F160 HydrophobicContact CG2-CD1 4.16Å; V123-F160 PolarHBondContact N-O 2.74Å; V123-F160 PolarHBondContact O-N 2.89Å; F141-F160 HydrophobicContact CD1-CD1 4.07Å; F141-F160 HydrophobicContact CD1-CE1 4.05Å; L144-F160 HydrophobicContact CB-CE1 4.19Å; L144-F160 HydrophobicContact CB-CZ 4.23Å; G145-F160 VanDerWaalsContact C-CE2 3.49Å; S146-F160 VanDerWaalsContact CA-CE2 3.47Å; S146-F160 VanDerWaalsContact N-CE2 3.31Å; S146-F160 VanDerWaalsContact N-CZ 3.33Å; W158-F160 HydrophobicContact CD2-CB 4.38Å; W158-F160 HydrophobicContact CH2-CB 3.57Å; W158-F160 HydrophobicContact CH2-CD1 4.06Å; W158-F160 HydrophobicContact CH2-CG 4.05Å; W158-F160 HydrophobicContact CZ2-CB 3.14Å; W158-F160 HydrophobicContact CZ2-CD1 4.11Å; W158-F160 HydrophobicContact CZ2-CD2 4.41Å; W158-F160 AromaticContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ3-CB 4.36Å; F160-E173 HydrophobicContact CB-CG 4.35Å; F160-E173 HydrophobicContact CD2-CB 4.12Å; F160-E173 HydrophobicContact CD2-CG 4.1Å
161I98.5Very high94.6Very high2 Ų251.4 Ų51.41%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-119.5113.8171.1-50.5174.4000107.8I46 L48 V121 I122 F159 S170 F172 M208 V210I46-I161 HydrophobicContact CB-CD1 4.23Å; I46-I161 HydrophobicContact CD1-CD1 3.93Å; I46-I161 HydrophobicContact CD1-CG2 4.29Å; I46-I161 HydrophobicContact CG2-CD1 3.79Å; L48-I161 HydrophobicContact CD2-CD1 4.28Å; V121-I161 CarbonylContact O-C 3.55Å; V121-I161 VanDerWaalsContact O-CA 3.26Å; V121-I161 WeakPolarHBondContact O-CA 3.02Å; I122-I161 HydrophobicContact CG1-CG1 4.31Å; I122-I161 HydrophobicContact CG1-CG2 4.09Å; I122-I161 HydrophobicContact CG2-CG1 4.18Å; F159-I161 HydrophobicContact CD2-CG1 4.46Å; I161-S170 VanDerWaalsContact O-CB 3.25Å; I161-S170 WeakPolarHBondContact O-CB 3.3Å; I161-S170 PolarHBondContact O-OG 3.4Å; I161-F172 HydrophobicContact CB-CB 3.8Å; I161-F172 HydrophobicContact CD1-CB 4.34Å; I161-F172 HydrophobicContact CG1-CB 4.31Å; I161-F172 PolarHBondContact N-O 3.05Å; I161-M208 HydrophobicContact CD1-SD 3.79Å; I161-V210 HydrophobicContact CD1-CG2 3.87Å; I161-V210 HydrophobicContact CG2-CG1 4.05Å; I161-V210 HydrophobicContact CG2-CG2 4.42Å
162G97.3Very high94.7Very high2 Ų247.4 Ų47.42%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-123.6166.2-172.900000113.2V121 L144V121-G162 PolarHBondContact N-O 3.27Å; V121-G162 PolarHBondContact O-N 3.06Å; L144-G162 WeakPolarHBondContact O-CA 3.34Å
163Q95.5Very high94.9Very high8 Ų847.7 Ų47.74%0.03726%0.255CS..  trans-151.5136.2173.6175.9161.375.500109.9T117 Q119 L120 L144 G165 I166 K213T117-Q163 VanDerWaalsContact O-CD 3.31Å; T117-Q163 PolarHBondContact O-NE2 2.75Å; T117-Q163 VanDerWaalsContact O-NE2 3.11Å; Q119-Q163 WeakPolarHBondContact O-CG 3.35Å; Q119-Q163 PolarHBondContact O-NE2 3.02Å; Q119-Q163 VanDerWaalsContact O-NE2 3.14Å; L120-Q163 HydrophobicContact CD2-CB 3.86Å; L120-Q163 HydrophobicContact CD2-CG 4.36Å; L144-Q163 PolarHBondContact O-N 3.18Å; L144-Q163 VanDerWaalsContact O-N 3.14Å; Q163-G165 PolarHBondContact O-N 2.94Å; Q163-I166 HydrophobicContact CB-CG2 3.81Å; Q163-I166 HydrophobicContact CG-CG2 4.26Å; Q163-I166 WeakPolarHBondContact O-CG2 3.38Å; Q163-I166 PolarHBondContact O-N 2.94Å; Q163-K213 VanDerWaalsContact OE1-N 3.15Å
164K94.9Very high95.1Very high83 Ų8347.3 Ų47.336%0.36125%0.253SS..THydrogen-bonded Turntrans-63134.5175.8-167.8171.7-173.6167.20110.6S113 L115 T117 L144S113-K164 PolarHBondContact O-NZ 3.33Å; L115-K164 WeakPolarHBondContact O-CD 3.38Å; L115-K164 PolarHBondContact O-NZ 3.26Å; L115-K164 VanDerWaalsContact O-NZ 3.13Å; T117-K164 HydrophobicContact CG2-CB 4.44Å; T117-K164 HydrophobicContact CG2-CG 4.43Å; L144-K164 HydrophobicContact CD2-CB 3.98Å
165G91.8Very high95.2Very high47 Ų4743.9 Ų43.949%0.48524%0.241SC..THydrogen-bonded Turntrans79.416.4176.300000115.2Q163 K213Q163-G165 PolarHBondContact O-N 2.94Å; G165-K213 PolarHBondContact O-NZ 3.36Å
166I91.2Very high95.2Very high48 Ų4841.7 Ų41.725%0.24623%0.234CC..  trans-66.9159.4163.167.4169.7000110.8Q163Q163-I166 HydrophobicContact CB-CG2 3.81Å; Q163-I166 HydrophobicContact CG-CG2 4.26Å; Q163-I166 WeakPolarHBondContact O-CG2 3.38Å; Q163-I166 PolarHBondContact O-N 2.94Å
167K89.8Confident94.9Very high200 Ų20043.1 Ų43.187%0.8724%0.244SC*.SBendtrans-96.7120.1174.2-69.3-173.7177.6-174.10107.8
168G93.1Very high94.3Very high58 Ų5845.4 Ų45.460%0.59825%0.254SS*.SBendtrans75.2-151-177.800000112.8
169F96.8Very high92.9Very high139 Ų13952.7 Ų52.761%0.6129%0.289SS*.  trans-92.4151.7-176.3-56.3-62.7000112.1G145G145-F169 CarbonylContact O-C 3.57Å; G145-F169 VanDerWaalsContact O-CA 3.28Å; G145-F169 WeakPolarHBondContact O-CA 3.06Å
170S96.7Very high91.1Very high11 Ų1153.1 Ų53.18%0.07729%0.293CS..  trans-70.7133.6171.4-174.60000109.7G145 I161 F172G145-S170 PolarHBondContact O-N 2.88Å; I161-S170 VanDerWaalsContact O-CB 3.25Å; I161-S170 WeakPolarHBondContact O-CB 3.3Å; I161-S170 PolarHBondContact O-OG 3.4Å; S170-F172 PolarHBondContact O-N 3.18Å; S170-F172 PolarHBondContact OG-N 3.02Å
171P95.8Very high88.8Confident105 Ų10558.5 Ų58.568%0.68233%0.328SS*.SBendtrans-75.7-5.1170.933.6-35.8000112.5E173P171-E173 PolarHBondContact O-N 2.8Å
172F97.5Very high86.4Confident40 Ų4063.1 Ų63.118%0.17535%0.353CS..  trans-98.963.7-176-51.8-61.9000110.4I161 S170 M208 V210 P211I161-F172 HydrophobicContact CB-CB 3.8Å; I161-F172 HydrophobicContact CD1-CB 4.34Å; I161-F172 HydrophobicContact CG1-CB 4.31Å; I161-F172 PolarHBondContact N-O 3.05Å; S170-F172 PolarHBondContact O-N 3.18Å; S170-F172 PolarHBondContact OG-N 3.02Å; F172-M208 HydrophobicContact CB-SD 3.83Å; F172-M208 HydrophobicContact CD1-CE 4.35Å; F172-M208 HydrophobicContact CD1-CG 4.5Å; F172-M208 HydrophobicContact CD1-SD 3.22Å; F172-M208 WeakPolarHBondContact CD1-SD 3.13Å; F172-M208 HydrophobicContact CE1-SD 4.03Å; F172-M208 HydrophobicContact CG-SD 3.79Å; F172-V210 HydrophobicContact CD1-CG2 4.28Å; F172-V210 HydrophobicContact CD2-CG1 3.93Å; F172-V210 HydrophobicContact CD2-CG2 4.35Å; F172-V210 HydrophobicContact CE1-CG2 4.39Å; F172-V210 HydrophobicContact CE2-CB 4.49Å; F172-V210 HydrophobicContact CE2-CG1 3.86Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F172-V210 HydrophobicContact CZ-CG1 4.45Å; F172-P211 HydrophobicContact CE2-CG 4.18Å; F172-P211 HydrophobicContact CZ-CG 4.17Å
173E97.9Very high84.1Confident15 Ų1570.1 Ų70.17%0.0739%0.388CS..EExtended strand (participates in β ladder)trans-148.6135.9-176.9-172.2174.5-152.400110S146 S147 M148 W158 F159 F160 P171S146-E173 WeakPolarHBondContact CB-OE1 3.44Å; S146-E173 PolarHBondContact OG-OE1 3.28Å; S147-E173 PolarHBondContact N-OE2 2.92Å; S147-E173 PolarHBondContact OG-OE2 2.8Å; M148-E173 HydrophobicContact CB-CG 4.11Å; M148-E173 WeakPolarHBondContact CB-OE1 3.25Å; M148-E173 HydrophobicContact CG-CG 4.1Å; M148-E173 PolarHBondContact N-OE1 2.98Å; M148-E173 VanDerWaalsContact N-OE1 3.13Å; M148-E173 PolarHBondContact N-OE2 3.46Å; M148-E173 VanDerWaalsContact N-OE2 3.14Å; M148-E173 HydrophobicContact SD-CG 4.47Å; W158-E173 PolarHBondContact NE1-OE1 2.75Å; F159-E173 WeakPolarHBondContact O-CA 3.16Å; F160-E173 HydrophobicContact CB-CG 4.35Å; F160-E173 HydrophobicContact CD2-CB 4.12Å; F160-E173 HydrophobicContact CD2-CG 4.1Å; P171-E173 PolarHBondContact O-N 2.8Å
174D96Very high81.9Confident57 Ų5778 Ų7831%0.30543%0.425SS..EExtended strand (participates in β ladder)trans-147.7147.4170-163.310.1000110.5W158 F159 V204W158-D174 WeakPolarHBondContact CA-O 3.34Å; F159-D174 HydrophobicContact CD1-CB 3.91Å; F159-D174 HydrophobicContact CE1-CB 3.32Å; F159-D174 HydrophobicContact CZ-CB 3.99Å; F159-D174 PolarHBondContact N-O 2.91Å; F159-D174 VanDerWaalsContact N-O 3.08Å; F159-D174 PolarHBondContact O-N 3.01Å; D174-V204 HydrophobicContact CB-CG1 4.5Å
175V94Very high79.7Confident28 Ų2877.1 Ų77.117%0.1743%0.429CS..EExtended strand (participates in β ladder)trans-135.1128.6178.465.40000109.4M148 K151 S157 W158M148-V175 HydrophobicContact CB-CB 4.5Å; M148-V175 HydrophobicContact CB-CG1 4.02Å; M148-V175 HydrophobicContact CG-CG1 4.5Å; M148-V175 HydrophobicContact SD-CG1 3.75Å; K151-V175 HydrophobicContact CB-CG1 4.1Å; K151-V175 HydrophobicContact CD-CG1 4.19Å; S157-V175 CarbonylContact O-C 3.57Å; S157-V175 VanDerWaalsContact O-CA 3.31Å; S157-V175 WeakPolarHBondContact O-CA 3.16Å; W158-V175 HydrophobicContact CB-CG2 4.27Å
176C91.3Very high77.5Confident13 Ų1381 Ų819%0.08844%0.439CS..EExtended strand (participates in β ladder)trans-118.5143.1165-164.30000110.9G156 S157 C180 C188 A201 V204G156-C176 WeakPolarHBondContact CA-O 3.17Å; S157-C176 PolarHBondContact N-O 3.46Å; S157-C176 PolarHBondContact O-N 2.9Å; C176-C180 VanDerWaalsContact SG-SG 3.66Å; C176-C188 WeakPolarHBondContact CB-SG 3.07Å; C176-C188 WeakPolarHBondContact SG-CB 3.4Å; C176-C188 CovalentContact SG-SG 2.07Å; C176-C188 PolarHBondContact SG-SG 3.36Å; C176-A201 HydrophobicContact CB-CB 4.49Å; C176-A201 WeakPolarHBondContact O-CB 3.48Å; C176-V204 HydrophobicContact CB-CG1 4.47Å
177S87.4Confident75.7Confident30 Ų3087.5 Ų87.521%0.2147%0.466CS..  trans-109.9164.8177.648.70000111.4N153 M179N153-S177 VanDerWaalsContact ND2-CB 3.34Å; N153-S177 WeakPolarHBondContact ND2-CB 3.31Å; S177-M179 VanDerWaalsContact C-N 3.31Å; S177-M179 PolarHBondContact O-N 2.82Å; S177-M179 PolarHBondContact OG-O 3.21Å
178Q80.3Confident74Confident58 Ų5879.1 Ų79.127%0.27143%0.432SS..SBendtrans-55.3-47175.9-68.517563.700112F154 R193 M198 K199F154-Q178 PolarHBondContact O-NE2 2.93Å; Q178-R193 PolarHBondContact O-NH2 3.03Å; Q178-M198 PolarHBondContact OE1-O 3.08Å; Q178-K199 VanDerWaalsContact CD-O 3.3Å; Q178-K199 PolarHBondContact OE1-O 3.38Å
179M69.5Low72.1Confident153 Ų15384.3 Ų84.375%0.75444%0.438SS*.SBendtrans-95.6116.6175.2-65.7167.589.400108.5S177 P181S177-M179 VanDerWaalsContact C-N 3.31Å; S177-M179 PolarHBondContact O-N 2.82Å; S177-M179 PolarHBondContact OG-O 3.21Å; M179-P181 WeakPolarHBondContact O-CD 3.36Å
180C59.1Low70.1Confident18 Ų1881 Ų8112%0.12243%0.425CS..  trans-88.5110.1166-63.60000106.6C176 N182 C188C176-C180 VanDerWaalsContact SG-SG 3.66Å; C180-N182 PolarHBondContact O-N 2.95Å; C180-N182 VanDerWaalsContact O-N 3.09Å; C180-C188 WeakPolarHBondContact SG-CB 3.39Å
181P51.1Low68.2Low113 Ų11387.2 Ų87.273%0.73446%0.457SS*.SBendtrans-67.8-12.7-172.5-19.532.2000113.6M179M179-P181 WeakPolarHBondContact O-CD 3.36Å
182N47Very low66.7Low99 Ų9990.8 Ų90.853%0.52946%0.464SS..  trans-133.5110.5-169.9-62.8-57000111.6C180 H184 S185C180-N182 PolarHBondContact O-N 2.95Å; C180-N182 VanDerWaalsContact O-N 3.09Å; N182-H184 PolarHBondContact O-N 2.07Å; N182-S185 PolarHBondContact O-N 2.75Å; N182-S185 VanDerWaalsContact O-N 3.13Å; N182-S185 PolarHBondContact O-OG 3.39Å
183I48.8Very low65.3Low149 Ų14991 Ų9176%0.76446%0.463SS*.THydrogen-bonded Turntrans-56.3-16.1166.8-69.5166000111.7
184H49.9Very low63.9Low174 Ų17493.2 Ų93.281%0.80648%0.48SS*.THydrogen-bonded Turntrans-87.2-13.5179-67.3-79.3000115.4N182 N186N182-H184 PolarHBondContact O-N 2.07Å; H184-N186 PolarHBondContact O-N 2.81Å
185S48.1Very low62.9Low64 Ų6493.9 Ų93.945%0.44849%0.494SS..  trans-89.596.2169.959.90000108.6N182 F187N182-S185 PolarHBondContact O-N 2.75Å; N182-S185 VanDerWaalsContact O-N 3.13Å; N182-S185 PolarHBondContact O-OG 3.39Å; S185-F187 PolarHBondContact O-N 3.09Å
186N46.3Very low62.1Low128 Ų12897.5 Ų97.568%0.68451%0.509SS*.THydrogen-bonded Turntrans-60.37.2-175.9-71.1-23.1000115.9H184 F189H184-N186 PolarHBondContact O-N 2.81Å; N186-F189 WeakPolarHBondContact O-CE2 3.35Å
187F53Low61.1Low185 Ų185100 Ų10081%0.81152%0.519SS*.THydrogen-bonded Turntrans-98.7-17.7-168.9-125.2-95.5000115.7S185S185-F187 PolarHBondContact O-N 3.09Å
188C54.8Low60.6Low24 Ų24102.6 Ų102.616%0.16253%0.529CS..SBendtrans-121.577.7177.1-143.10000108.5C176 C180 Q190 P202C176-C188 WeakPolarHBondContact CB-SG 3.07Å; C176-C188 WeakPolarHBondContact SG-CB 3.4Å; C176-C188 CovalentContact SG-SG 2.07Å; C176-C188 PolarHBondContact SG-SG 3.36Å; C180-C188 WeakPolarHBondContact SG-CB 3.39Å; C188-Q190 PolarHBondContact O-N 3.15Å; C188-Q190 VanDerWaalsContact O-N 3.07Å; C188-P202 VanDerWaalsContact SG-CB 3.56Å; C188-P202 WeakPolarHBondContact SG-CG 3.26Å
189F51.9Low60.9Low167 Ų167103.8 Ų103.873%0.73253%0.533SS*.  trans-53112.2-176.6-88.7-88.1000111.3N186N186-F189 WeakPolarHBondContact O-CE2 3.35Å
190Q56.3Low61.8Low70 Ų7097.7 Ų97.733%0.32750%0.502SS..  trans-95.4-19.4-173.6-167.3158.60.700113.7C188 H192C188-Q190 PolarHBondContact O-N 3.15Å; C188-Q190 VanDerWaalsContact O-N 3.07Å; Q190-H192 VanDerWaalsContact C-N 3.34Å; Q190-H192 PolarHBondContact O-N 3.13Å; Q190-H192 VanDerWaalsContact O-N 3.16Å
191L56.9Low63.3Low142 Ų14297 Ų9774%0.74350%0.498SS*.THydrogen-bonded Turntrans-77-7.7-156-64.7175.5000116.5
192H63Low65.1Low180 Ų18092.4 Ų92.483%0.83347%0.468SS*.THydrogen-bonded Turntrans-129.830.1-175-62-60.1000114.2Q190Q190-H192 VanDerWaalsContact C-N 3.34Å; Q190-H192 PolarHBondContact O-N 3.13Å; Q190-H192 VanDerWaalsContact O-N 3.16Å
193R69.1Low67.3Low45 Ų4589.6 Ų89.617%0.1746%0.455CS..  trans-105133.7179.6-64.5-163.6-57.7155.2-0.6112.1Q178 E197 M198 W200 P202Q178-R193 PolarHBondContact O-NH2 3.03Å; R193-E197 WeakPolarHBondContact CA-OE2 3.33Å; R193-E197 HydrophobicContact CB-CB 3.84Å; R193-E197 HydrophobicContact CG-CB 4.3Å; R193-E197 PolarHBondContact NH1-O 3.48Å; R193-E197 VanDerWaalsContact NH1-O 3.08Å; R193-M198 HydrophobicContact CB-CG 4.26Å; R193-W200 PolarHBondContact NH1-O 3.14Å; R193-P202 VanDerWaalsContact CZ-CG 3.49Å; R193-P202 VanDerWaalsContact NH1-CD 3.32Å
194S67.5Low69.4Low60 Ų6082.7 Ų82.742%0.4242%0.42SS..  trans-64.2161.917060.90000112E196 E197 M198S194-E196 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.37Å; S194-E197 WeakPolarHBondContact O-CB 3.44Å; S194-E197 PolarHBondContact O-N 2.77Å; S194-E197 VanDerWaalsContact O-N 3.08Å; S194-E197 WeakPolarHBondContact OG-CB 3.23Å; S194-E197 WeakPolarHBondContact OG-CG 3.45Å; S194-E197 PolarHBondContact OG-N 2.8Å; S194-E197 PolarHBondContact OG-OE2 3.19Å; S194-M198 WeakPolarHBondContact O-CG 3.34Å; S194-M198 PolarHBondContact O-N 2.78Å
195A75.3Confident71.5Confident72 Ų7278 Ų7860%0.59541%0.406SS*.THydrogen-bonded Turntrans-57.7-35.517700000113.2M198A195-M198 HydrophobicContact CB-CE 4.33Å; A195-M198 PolarHBondContact O-N 3.47Å
196E77.1Confident73.7Confident104 Ų10475.9 Ų75.949%0.48639%0.393SS..THydrogen-bonded Turntrans-65.9-43.6173.9-70.6-60.4134.600111.8S194 M198 K199 W200S194-E196 PolarHBondContact O-N 3.38Å; E196-M198 VanDerWaalsContact C-N 3.25Å; E196-M198 PolarHBondContact O-N 3.18Å; E196-K199 WeakPolarHBondContact O-CB 3.29Å; E196-K199 WeakPolarHBondContact O-CG 3.33Å; E196-K199 PolarHBondContact O-N 3.34Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-K199 WeakPolarHBondContact OE1-CE 3.33Å; E196-K199 IonicContact OE1-NZ 3.32Å; E196-K199 PolarHBondContact OE1-NZ 3.34Å; E196-K199 VanDerWaalsContact OE2-CE 3.32Å; E196-K199 WeakPolarHBondContact OE2-CE 3.36Å; E196-K199 IonicContact OE2-NZ 2.66Å; E196-K199 PolarHBondContact OE2-NZ 3.02Å; E196-W200 WeakPolarHBondContact O-CZ3 3.35Å
197E71.8Confident76Confident65 Ų6573.6 Ų73.630%0.30438%0.377SS..G310 helixtrans-64.4-28.4176.1-79.4167.413300113.5R193 S194 K199 W200R193-E197 WeakPolarHBondContact CA-OE2 3.33Å; R193-E197 HydrophobicContact CB-CB 3.84Å; R193-E197 HydrophobicContact CG-CB 4.3Å; R193-E197 PolarHBondContact NH1-O 3.48Å; R193-E197 VanDerWaalsContact NH1-O 3.08Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.37Å; S194-E197 WeakPolarHBondContact O-CB 3.44Å; S194-E197 PolarHBondContact O-N 2.77Å; S194-E197 VanDerWaalsContact O-N 3.08Å; S194-E197 WeakPolarHBondContact OG-CB 3.23Å; S194-E197 WeakPolarHBondContact OG-CG 3.45Å; S194-E197 PolarHBondContact OG-N 2.8Å; S194-E197 PolarHBondContact OG-OE2 3.19Å; E197-K199 PolarHBondContact O-N 3.32Å; E197-W200 PolarHBondContact O-N 3.07Å; E197-W200 VanDerWaalsContact O-O 3.05Å
198M76.9Confident78Confident84 Ų8466.3 Ų66.341%0.41435%0.346SS..G310 helixtrans-70.7-14176.8-72.5-169-78.100113.3Q178 R193 S194 A195 E196 W200Q178-M198 PolarHBondContact OE1-O 3.08Å; R193-M198 HydrophobicContact CB-CG 4.26Å; S194-M198 WeakPolarHBondContact O-CG 3.34Å; S194-M198 PolarHBondContact O-N 2.78Å; A195-M198 HydrophobicContact CB-CE 4.33Å; A195-M198 PolarHBondContact O-N 3.47Å; E196-M198 VanDerWaalsContact C-N 3.25Å; E196-M198 PolarHBondContact O-N 3.18Å; M198-W200 PolarHBondContact O-N 2.68Å
199K85.7Confident79.9Confident83 Ų8366.8 Ų66.836%0.36135%0.349SS..G310 helixtrans-71.8-11.4174.8-58.8178-179.1169.50113.5R155 Q178 E196 E197R155-K199 WeakPolarHBondContact CD-O 2.99Å; R155-K199 PolarHBondContact NH1-O 2.92Å; Q178-K199 VanDerWaalsContact CD-O 3.3Å; Q178-K199 PolarHBondContact OE1-O 3.38Å; E196-K199 WeakPolarHBondContact O-CB 3.29Å; E196-K199 WeakPolarHBondContact O-CG 3.33Å; E196-K199 PolarHBondContact O-N 3.34Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-K199 WeakPolarHBondContact OE1-CE 3.33Å; E196-K199 IonicContact OE1-NZ 3.32Å; E196-K199 PolarHBondContact OE1-NZ 3.34Å; E196-K199 VanDerWaalsContact OE2-CE 3.32Å; E196-K199 WeakPolarHBondContact OE2-CE 3.36Å; E196-K199 IonicContact OE2-NZ 2.66Å; E196-K199 PolarHBondContact OE2-NZ 3.02Å; E197-K199 PolarHBondContact O-N 3.32Å
200W88.8Confident82Confident25 Ų2559 Ų5910%0.09532%0.315CS..SBendtrans-123.7152.7172.9-67.1-98.4000109.7Q53 D127 R155 R193 E196 E197 M198Q53-W200 HydrophobicContact CB-CD2 3.65Å; Q53-W200 HydrophobicContact CB-CE3 3.8Å; Q53-W200 HydrophobicContact CB-CG 3.99Å; Q53-W200 HydrophobicContact CB-CZ2 4.43Å; Q53-W200 HydrophobicContact CB-CZ3 4.25Å; Q53-W200 HydrophobicContact CG-CB 4.2Å; Q53-W200 HydrophobicContact CG-CD2 3.77Å; Q53-W200 HydrophobicContact CG-CE3 3.53Å; Q53-W200 HydrophobicContact CG-CG 4.07Å; Q53-W200 HydrophobicContact CG-CZ3 4.16Å; D127-W200 PolarHBondContact OD1-NE1 3.32Å; R155-W200 HydrophobicContact CB-CG 4.29Å; R155-W200 VanDerWaalsContact CZ-CZ2 3.43Å; R155-W200 VanDerWaalsContact NH1-CZ2 3.34Å; R193-W200 PolarHBondContact NH1-O 3.14Å; E196-W200 WeakPolarHBondContact O-CZ3 3.35Å; E197-W200 PolarHBondContact O-N 3.07Å; E197-W200 VanDerWaalsContact O-O 3.05Å; M198-W200 PolarHBondContact O-N 2.68Å
201A89.9Confident83.7Confident4 Ų458.8 Ų58.83%0.03332%0.32CS..PPolyproline II helixtrans-62.5151.716500000110.4R155 C176R155-A201 WeakPolarHBondContact O-CB 3.49Å; R155-A201 PolarHBondContact O-N 2.86Å; C176-A201 HydrophobicContact CB-CB 4.49Å; C176-A201 WeakPolarHBondContact O-CB 3.48Å
202P89.9Confident85.2Confident17 Ų1753.5 Ų53.511%0.1129%0.29CS..PPolyproline II helixtrans-54.4151.2164.5-26.738.4000111.2S157 C188 R193 V204S157-P202 WeakPolarHBondContact CB-O 3.44Å; S157-P202 PolarHBondContact OG-O 3.16Å; C188-P202 VanDerWaalsContact SG-CB 3.56Å; C188-P202 WeakPolarHBondContact SG-CG 3.26Å; R193-P202 VanDerWaalsContact CZ-CG 3.49Å; R193-P202 VanDerWaalsContact NH1-CD 3.32Å; P202-V204 PolarHBondContact O-N 3.02Å
203P92.5Very high86Confident39 Ų3949.5 Ų49.525%0.25327%0.27SS..PPolyproline II helixtrans-64.6135177.727-34.8000110.6Y49 S50 G51 K52Y49-P203 HydrophobicContact CD2-CB 4.21Å; Y49-P203 HydrophobicContact CE2-CB 3.53Å; Y49-P203 HydrophobicContact CE2-CG 3.73Å; S50-P203 VanDerWaalsContact OG-CA 3.25Å; S50-P203 WeakPolarHBondContact OG-CA 3.35Å; G51-P203 WeakPolarHBondContact O-CB 3.38Å; K52-P203 HydrophobicContact CG-CG 3.89Å
204V93.7Very high86Confident4 Ų454.2 Ų54.22%0.02429%0.288CS..PPolyproline II helixtrans-76.7140158.5-63.30000109.9S50 L124 F159 D174 C176 P202S50-V204 PolarHBondContact N-O 3.25Å; S50-V204 WeakPolarHBondContact OG-CG2 3.46Å; S50-V204 PolarHBondContact OG-N 3.41Å; S50-V204 PolarHBondContact OG-O 3.08Å; L124-V204 HydrophobicContact CD1-CG2 4.25Å; F159-V204 HydrophobicContact CB-CG2 4.13Å; F159-V204 HydrophobicContact CD1-CB 3.92Å; F159-V204 HydrophobicContact CD1-CG2 3.86Å; D174-V204 HydrophobicContact CB-CG1 4.5Å; C176-V204 HydrophobicContact CB-CG1 4.47Å; P202-V204 PolarHBondContact O-N 3.02Å
205S93.7Very high85.9Confident75 Ų7558.5 Ų58.552%0.52430%0.299SS..EExtended strand (participates in β ladder)trans-144138.7179.9-170.90000109.1L48L48-S205 WeakPolarHBondContact O-CA 3.38Å; L48-S205 PolarHBondContact O-OG 3.44Å
206A94.4Very high85.3Confident21 Ų2166.4 Ų66.417%0.17431%0.314CS..EExtended strand (participates in β ladder)trans-153.3151.1175.400000111.7S47 L48 F159 M208S47-A206 CarbonylContact C-O 3.6Å; S47-A206 WeakPolarHBondContact CA-O 3.49Å; L48-A206 HydrophobicContact CD1-CB 4.07Å; L48-A206 HydrophobicContact CG-CB 4.41Å; L48-A206 PolarHBondContact N-O 3.34Å; L48-A206 PolarHBondContact O-N 2.87Å; F159-A206 HydrophobicContact CE1-CB 3.98Å; F159-A206 HydrophobicContact CE2-CB 4.46Å; F159-A206 HydrophobicContact CZ-CB 3.86Å; A206-M208 HydrophobicContact CB-CE 3.35Å
207K94Very high83.9Confident80 Ų8075 Ų7535%0.34835%0.349SS..EExtended strand (participates in β ladder)trans-134.6122.4166.9174.7174.5-90.7-169.80107.6C33 A35 M37 L45 I46C33-K207 WeakPolarHBondContact O-CE 3.49Å; C33-K207 PolarHBondContact O-NZ 3.27Å; A35-K207 PolarHBondContact O-NZ 2.75Å; M37-K207 HydrophobicContact CB-CD 4.48Å; M37-K207 HydrophobicContact SD-CG 4.24Å; L45-K207 HydrophobicContact CD1-CG 4.04Å; I46-K207 WeakPolarHBondContact O-CA 3.4Å
208M94.6Very high84.5Confident32 Ų3275.5 Ų75.516%0.15835%0.352CS..EExtended strand (participates in β ladder)trans-155.6154-16960.2179.778.300113I46 F159 I161 F172 A206 V210I46-M208 PolarHBondContact N-O 3.44Å; I46-M208 PolarHBondContact O-N 2.78Å; F159-M208 HydrophobicContact CE2-CE 3.59Å; F159-M208 HydrophobicContact CZ-CE 3.66Å; I161-M208 HydrophobicContact CD1-SD 3.79Å; F172-M208 HydrophobicContact CB-SD 3.83Å; F172-M208 HydrophobicContact CD1-CE 4.35Å; F172-M208 HydrophobicContact CD1-CG 4.5Å; F172-M208 HydrophobicContact CD1-SD 3.22Å; F172-M208 WeakPolarHBondContact CD1-SD 3.13Å; F172-M208 HydrophobicContact CE1-SD 4.03Å; F172-M208 HydrophobicContact CG-SD 3.79Å; A206-M208 HydrophobicContact CB-CE 3.35Å; M208-V210 HydrophobicContact CG-CG2 3.78Å; M208-V210 HydrophobicContact SD-CG2 3.78Å
209C95.1Very high84.9Confident34 Ų3475 Ų7523%0.2335%0.348CS..EExtended strand (participates in β ladder)trans-94.8107.4169.5-67.80000110C39 K43 I44C39-C209 WeakPolarHBondContact CA-SG 3.29Å; C39-C209 HydrophobicContact CB-CB 3.77Å; C39-C209 WeakPolarHBondContact CB-SG 3Å; C39-C209 VanDerWaalsContact SG-CA 3.51Å; C39-C209 WeakPolarHBondContact SG-CB 3.4Å; C39-C209 CovalentContact SG-SG 2.03Å; C39-C209 PolarHBondContact SG-SG 3.14Å; K43-C209 HydrophobicContact CB-CB 3.99Å; K43-C209 HydrophobicContact CD-CB 3.94Å; I44-C209 WeakPolarHBondContact O-CA 3.42Å
210V95.4Very high84.8Confident3 Ų374.6 Ų74.62%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-92118.2-176.4-1800000110.5K43 I44 I46 L120 I161 F172 M208K43-V210 CarbonylContact C-O 3.58Å; K43-V210 VanDerWaalsContact CA-O 3.25Å; K43-V210 WeakPolarHBondContact CA-O 3.37Å; I44-V210 HydrophobicContact CG2-CB 4.2Å; I44-V210 PolarHBondContact N-O 2.72Å; I44-V210 PolarHBondContact O-N 2.86Å; I46-V210 HydrophobicContact CB-CG2 4.47Å; I46-V210 HydrophobicContact CD1-CB 4.09Å; I46-V210 HydrophobicContact CD1-CG2 3.8Å; I46-V210 HydrophobicContact CG1-CG2 4.46Å; L120-V210 HydrophobicContact CD1-CG1 4.01Å; I161-V210 HydrophobicContact CD1-CG2 3.87Å; I161-V210 HydrophobicContact CG2-CG1 4.05Å; I161-V210 HydrophobicContact CG2-CG2 4.42Å; F172-V210 HydrophobicContact CD1-CG2 4.28Å; F172-V210 HydrophobicContact CD2-CG1 3.93Å; F172-V210 HydrophobicContact CD2-CG2 4.35Å; F172-V210 HydrophobicContact CE1-CG2 4.39Å; F172-V210 HydrophobicContact CE2-CB 4.49Å; F172-V210 HydrophobicContact CE2-CG1 3.86Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F172-V210 HydrophobicContact CZ-CG1 4.45Å; M208-V210 HydrophobicContact CG-CG2 3.78Å; M208-V210 HydrophobicContact SD-CG2 3.78Å
211P93.7Very high84.6Confident65 Ų6577.5 Ų77.542%0.42236%0.362SS..EExtended strand (participates in β ladder)trans-71.1149.4173.631.6-33.9000111K42 K43 F172K42-P211 WeakPolarHBondContact O-CA 3.41Å; K43-P211 HydrophobicContact CG-CB 4.13Å; F172-P211 HydrophobicContact CE2-CG 4.18Å; F172-P211 HydrophobicContact CZ-CG 4.17Å
212Y88.3Confident84.2Confident32 Ų3282.1 Ų82.113%0.12538%0.383CS..  trans-130.9147.1176.357.9-91.7000112.2K42 P86 L87 R214K42-Y212 WeakPolarHBondContact O-CD1 3.44Å; K42-Y212 VanDerWaalsContact O-CE1 3.31Å; K42-Y212 WeakPolarHBondContact O-CE1 3.32Å; K42-Y212 PolarHBondContact O-N 2.76Å; P86-Y212 HydrophobicContact CB-CD1 3.52Å; P86-Y212 HydrophobicContact CB-CD2 4.08Å; P86-Y212 HydrophobicContact CB-CE1 3.98Å; P86-Y212 HydrophobicContact CB-CG 3.55Å; P86-Y212 HydrophobicContact CG-CD1 3.94Å; P86-Y212 HydrophobicContact CG-CD2 3.63Å; P86-Y212 HydrophobicContact CG-CE2 4.34Å; P86-Y212 HydrophobicContact CG-CG 3.39Å; L87-Y212 HydrophobicContact CB-CE2 4.21Å; L87-Y212 HydrophobicContact CD1-CE2 4.28Å; Y212-R214 HydrophobicContact CE2-CG 4.47Å
213K78.7Confident83.9Confident95 Ų9586.4 Ų86.441%0.41340%0.401SS..PPolyproline II helixtrans-78.3138174.9-66.7-174.8179.7-175.50110.7Q163 G165Q163-K213 VanDerWaalsContact OE1-N 3.15Å; G165-K213 PolarHBondContact O-NZ 3.36Å
214R69.1Low83.3Confident144 Ų14489.8 Ų89.854%0.54341%0.412SS..PPolyproline II helixtrans-91.1150.3163.8-72.2-173.7175.5172.5-1.8109.6Y212 R216Y212-R214 HydrophobicContact CE2-CG 4.47Å; R214-R216 PolarHBondContact O-N 3.16Å
215K66Low82.5Confident151 Ų15196.4 Ų96.466%0.65744%0.442SS*.PPolyproline II helixtrans-54.6123.6162-165.9172.4-175.2176.60108.5E118 K217E118-K215 WeakPolarHBondContact OE1-CB 3.3Å; K215-K217 PolarHBondContact O-N 2.66Å
216R62.4Low81.5Confident238 Ų23898.2 Ų98.290%0.89844%0.435SS*.PPolyproline II helixtrans-64.1118.7165.4-75.5-175.3172.8175.8-4.4105.8R214R214-R216 PolarHBondContact O-N 3.16Å
217K46.7Very low80.3Confident283 Ų283105.2 Ų105.2100%1.2346%0.458SS*.  trans-59.60169.7-79.4-172.4175.8-176.70109.6K215K215-K217 PolarHBondContact O-N 2.66Å

Retrieved 217 of 217 residues in 115.2 ms (Link to these results)