Z4YLE9_MOUSE Loading...

[histone H3]-trimethyl-L-lysine(9) demethylase

AlphaFold DB , UniProt , Accession Z4YLE9, Species MOUSE (Mus musculus, Mouse), Gene Kdm4d, Length 450 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
1M35.8Very low58.1Low241 Ų241127.3 Ų127.3100%1.18770%0.699SS**  0108.60-76.6168.6169.100107.9T3M1-T3 PolarHBondContact O-N 3.33Å
2K31.7Very low61.1Low212 Ų212128.7 Ų128.792%0.92271%0.705SS**  trans-72.5116.1175-73.8-180177.1179.10107.5K4K2-K4 PolarHBondContact O-N 3.18Å
3T39.2Very low63.8Low138 Ų138119.8 Ų119.885%0.84766%0.658SS**  trans-51.7117.4168.527.60000108.3M1 S5M1-T3 PolarHBondContact O-N 3.33Å; T3-S5 PolarHBondContact O-N 2.93Å
4K38.1Very low66.2Low202 Ų202115.8 Ų115.888%0.87864%0.643SS**  trans-61.9103.5169.1-81.6-179.9176.1178.10106.4K2 T6K2-K4 PolarHBondContact O-N 3.18Å; K4-T6 VanDerWaalsContact C-N 3.29Å; K4-T6 PolarHBondContact O-N 2.94Å
5S38.3Very low68.4Low112 Ų112110 Ų11078%0.78361%0.61SS**  trans-56.496.6161.21610000107.1T3 C7T3-S5 PolarHBondContact O-N 2.93Å; S5-C7 PolarHBondContact O-N 2.91Å
6T48.7Very low70.3Confident135 Ų135106.1 Ų106.183%0.82859%0.587SS**  trans-61.3100.71703.90000106.9K4 A8K4-T6 VanDerWaalsContact C-N 3.29Å; K4-T6 PolarHBondContact O-N 2.94Å; T6-A8 PolarHBondContact O-N 3.16Å; T6-A8 VanDerWaalsContact O-N 3.16Å
7C57Low72Confident98 Ų98104.4 Ų104.466%0.66258%0.575SS**PPolyproline II helixtrans-59.2119.1172-169.50000107.5S5 Q9S5-C7 PolarHBondContact O-N 2.91Å; C7-Q9 PolarHBondContact O-N 3.28Å
8A74.2Confident73.5Confident55 Ų5599.3 Ų99.346%0.45555%0.546SS..PPolyproline II helixtrans-58.3126.6179.200000109.5T6T6-A8 PolarHBondContact O-N 3.16Å; T6-A8 VanDerWaalsContact O-N 3.16Å
9Q89.9Confident74.8Confident106 Ų106102.5 Ų102.550%0.49555%0.549SS..SBendtrans-64.6149178-63.6-62-37.700110.4C7 R42C7-Q9 PolarHBondContact O-N 3.28Å; Q9-R42 WeakPolarHBondContact O-CD 3.39Å; Q9-R42 PolarHBondContact O-NH1 3.14Å
10N93.7Very high76Confident17 Ų1797.8 Ų97.89%0.09153%0.525CS..SBendtrans47.358.8-176.5-167.618.1000113.9N12 C13 S14 M16 G39 R42N10-N12 PolarHBondContact O-N 3.15Å; N10-N12 VanDerWaalsContact O-N 3.12Å; N10-C13 PolarHBondContact O-N 3.18Å; N10-C13 PolarHBondContact OD1-N 3.18Å; N10-S14 PolarHBondContact ND2-N 2.76Å; N10-S14 PolarHBondContact ND2-O 3.48Å; N10-S14 PolarHBondContact OD1-N 3.19Å; N10-S14 PolarHBondContact OD1-OG 2.91Å; N10-M16 HydrophobicContact CB-SD 4.22Å; N10-G39 WeakPolarHBondContact CB-O 3.44Å; N10-G39 PolarHBondContact ND2-O 2.7Å; N10-R42 PolarHBondContact O-NH1 3.16Å
11P92.8Very high77Confident84 Ų8496.3 Ų96.355%0.54552%0.519SS..THydrogen-bonded Turntrans-60.4-26.1-174.825.5-34.7000113.9C13P11-C13 VanDerWaalsContact C-N 3.34Å
12N94.3Very high79.9Confident144 Ų14490.1 Ų90.177%0.7749%0.486SS*.THydrogen-bonded Turntrans-89.43179.8-63.1-21.8000113.4N10 S14N10-N12 PolarHBondContact O-N 3.15Å; N10-N12 VanDerWaalsContact O-N 3.12Å; N12-S14 PolarHBondContact O-N 3.2Å
13C96.2Very high82.9Confident13 Ų1386.4 Ų86.49%0.08847%0.471CS..  trans52.938.1-179.1-55.50000113.4N10 P11 R42 A43 P213 E215N10-C13 PolarHBondContact O-N 3.18Å; N10-C13 PolarHBondContact OD1-N 3.18Å; P11-C13 VanDerWaalsContact C-N 3.34Å; C13-R42 HydrophobicContact CB-CB 4.36Å; C13-A43 WeakPolarHBondContact O-CA 3.39Å; C13-A43 VanDerWaalsContact O-CB 3.27Å; C13-A43 WeakPolarHBondContact O-CB 3.38Å; C13-P213 HydrophobicContact CB-CB 3.99Å; C13-P213 HydrophobicContact CB-CG 3.65Å; C13-E215 PolarHBondContact SG-OE2 2.77Å
14S97.4Very high85.7Confident64 Ų6483.9 Ų83.945%0.44845%0.45SS..PPolyproline II helixtrans-77142.1-178.764.50000111.6N10 N12 M16 A43N10-S14 PolarHBondContact ND2-N 2.76Å; N10-S14 PolarHBondContact ND2-O 3.48Å; N10-S14 PolarHBondContact OD1-N 3.19Å; N10-S14 PolarHBondContact OD1-OG 2.91Å; N12-S14 PolarHBondContact O-N 3.2Å; S14-M16 WeakPolarHBondContact O-CG 3.35Å; S14-M16 PolarHBondContact O-N 3.2Å; S14-A43 WeakPolarHBondContact O-CB 3.45Å
15I98.6Very high88.5Confident29 Ų2974.3 Ų74.315%0.14941%0.408CS..PPolyproline II helixtrans-63.3120.4174.9-62.8169.5000108.6A43 L45 A211 I261I15-A43 HydrophobicContact CG1-CB 4.17Å; I15-L45 HydrophobicContact CD1-CD2 4.11Å; I15-L45 HydrophobicContact CG1-CB 4.47Å; I15-A211 HydrophobicContact CD1-CB 4.35Å; I15-I261 HydrophobicContact CD1-CB 4.18Å; I15-I261 HydrophobicContact CD1-CG2 3.98Å; I15-I261 HydrophobicContact CG2-CB 4.31Å; I15-I261 HydrophobicContact CG2-CD1 3.73Å; I15-I261 HydrophobicContact CG2-CG2 4.14Å
16M98.7Very high91.2Very high48 Ų4873 Ų7324%0.23639%0.393CS..EExtended strand (participates in β ladder)trans-94.3150-178.1-61.7-178.974.800111.3N10 S14 F18 Q38 A40 K47N10-M16 HydrophobicContact CB-SD 4.22Å; S14-M16 WeakPolarHBondContact O-CG 3.35Å; S14-M16 PolarHBondContact O-N 3.2Å; M16-F18 HydrophobicContact CB-CD2 4.35Å; M16-F18 HydrophobicContact CB-CE2 3.55Å; M16-F18 HydrophobicContact CB-CZ 4Å; M16-F18 HydrophobicContact CE-CZ 3.92Å; M16-F18 HydrophobicContact SD-CZ 4.15Å; M16-Q38 HydrophobicContact CE-CB 3.96Å; M16-Q38 VanDerWaalsContact SD-O 3.41Å; M16-A40 HydrophobicContact CB-CB 4.48Å; M16-A40 HydrophobicContact SD-CB 4.07Å; M16-K47 PolarHBondContact O-N 3.5Å
17I98.8Very high93.3Very high76 Ų7669.4 Ų69.439%0.3937%0.368SS..EExtended strand (participates in β ladder)trans-119.8120.9176.5-48.9177.6000109.5K47 I49 I261I17-K47 CarbonylContact C-O 3.59Å; I17-K47 WeakPolarHBondContact CA-O 3.25Å; I17-K47 HydrophobicContact CD1-CD 4.45Å; I17-K47 HydrophobicContact CG1-CB 4.25Å; I17-K47 HydrophobicContact CG1-CD 4.4Å; I17-K47 HydrophobicContact CG2-CB 4.16Å; I17-K47 HydrophobicContact CG2-CD 3.82Å; I17-K47 HydrophobicContact CG2-CG 4.09Å; I17-I49 HydrophobicContact CG2-CD1 3.96Å; I17-I49 HydrophobicContact CG2-CG1 4.08Å; I17-I261 HydrophobicContact CD1-CD1 4Å; I17-I261 HydrophobicContact CG1-CD1 3.93Å
18F98.8Very high95.1Very high14 Ų1465.3 Ų65.36%0.06134%0.339CS..EExtended strand (participates in β ladder)trans-105.4147-179.7-64.8-91000111.7M16 Y31 Y34 M35 Q38 A40 A46 K47 V48 I49M16-F18 HydrophobicContact CB-CD2 4.35Å; M16-F18 HydrophobicContact CB-CE2 3.55Å; M16-F18 HydrophobicContact CB-CZ 4Å; M16-F18 HydrophobicContact CE-CZ 3.92Å; M16-F18 HydrophobicContact SD-CZ 4.15Å; F18-Y31 HydrophobicContact CB-CE1 4.02Å; F18-Y31 HydrophobicContact CG-CE1 4.47Å; F18-Y34 HydrophobicContact CD1-CE1 4.01Å; F18-Y34 HydrophobicContact CE1-CE1 4.06Å; F18-M35 HydrophobicContact CD1-CG 3.93Å; F18-M35 HydrophobicContact CD2-CE 4.07Å; F18-M35 HydrophobicContact CD2-CG 3.78Å; F18-M35 HydrophobicContact CD2-SD 4.1Å; F18-M35 HydrophobicContact CE1-CB 4.39Å; F18-M35 HydrophobicContact CE1-CG 3.92Å; F18-M35 HydrophobicContact CE2-CB 4.1Å; F18-M35 HydrophobicContact CE2-CE 4.16Å; F18-M35 HydrophobicContact CE2-CG 3.77Å; F18-M35 HydrophobicContact CE2-SD 4.47Å; F18-M35 HydrophobicContact CG-CG 3.87Å; F18-M35 HydrophobicContact CG-SD 4.36Å; F18-M35 HydrophobicContact CZ-CB 4Å; F18-M35 HydrophobicContact CZ-CG 3.85Å; F18-Q38 HydrophobicContact CE1-CB 4.23Å; F18-Q38 HydrophobicContact CE1-CG 4.18Å; F18-Q38 HydrophobicContact CZ-CB 4.19Å; F18-A40 HydrophobicContact CE2-CB 3.67Å; F18-A40 HydrophobicContact CZ-CB 3.85Å; F18-A46 HydrophobicContact CD2-CB 4.5Å; F18-A46 HydrophobicContact CE2-CB 4.31Å; F18-K47 PolarHBondContact N-O 2.98Å; F18-V48 HydrophobicContact CB-CG1 4.48Å; F18-V48 HydrophobicContact CB-CG2 4.34Å; F18-I49 PolarHBondContact O-N 3.4Å
19R98.7Very high96Very high160 Ų16064.8 Ų64.860%0.60433%0.329SS*.  trans-133.676178.2-76.3167.1-172680.8108.9I49R19-I49 HydrophobicContact CG-CB 4.06Å; R19-I49 HydrophobicContact CG-CD1 4.5Å
20P98.3Very high96.2Very high8 Ų867.1 Ų67.15%0.05234%0.337CS..  trans-57.7146.3-17916.8-27.9000112.1E24 F25 Y31 V48 I49P20-E24 WeakPolarHBondContact CA-OE2 3.33Å; P20-E24 HydrophobicContact CB-CB 3.97Å; P20-F25 HydrophobicContact CB-CB 4.09Å; P20-F25 HydrophobicContact CB-CD2 4.07Å; P20-F25 HydrophobicContact CG-CB 4.32Å; P20-F25 HydrophobicContact CG-CD2 3.45Å; P20-F25 VanDerWaalsContact CG-CD2 3.45Å; P20-F25 HydrophobicContact CG-CE2 4.14Å; P20-F25 HydrophobicContact CG-CG 4.25Å; P20-Y31 WeakPolarHBondContact CA-OH 3.41Å; P20-Y31 HydrophobicContact CB-CD2 4.32Å; P20-Y31 HydrophobicContact CB-CE1 4.08Å; P20-Y31 HydrophobicContact CB-CE2 3.65Å; P20-Y31 VanDerWaalsContact CB-CZ 3.48Å; P20-Y31 WeakPolarHBondContact CB-OH 3.44Å; P20-Y31 WeakPolarHBondContact CD-OH 3.5Å; P20-Y31 HydrophobicContact CG-CE1 4.05Å; P20-Y31 HydrophobicContact CG-CE2 4.5Å; P20-V48 HydrophobicContact CG-CG1 3.78Å; P20-I49 WeakPolarHBondContact CD-O 3.45Å
21T97.9Very high96.4Very high66 Ų6666.8 Ų66.841%0.40534%0.335SS..  trans-68.2167.2159.682.70000110.3E23 E24 F25T21-E23 WeakPolarHBondContact CB-OE2 3.41Å; T21-E23 PolarHBondContact O-N 2.7Å; T21-E23 PolarHBondContact OG1-N 3.12Å; T21-E23 PolarHBondContact OG1-OE2 3.33Å; T21-E24 PolarHBondContact N-OE2 3.41Å; T21-E24 PolarHBondContact O-N 2.81Å; T21-E24 PolarHBondContact OG1-N 3.41Å; T21-F25 VanDerWaalsContact O-CB 3.32Å; T21-F25 WeakPolarHBondContact O-CB 3.31Å; T21-F25 PolarHBondContact O-N 3.32Å
22K95.7Very high96.6Very high112 Ų11262.9 Ų62.949%0.48731%0.309SS..THydrogen-bonded Turntrans-57.1-37.9175.1-174.6178.3177.7-178.20112.5F25 N26 P51K22-F25 PolarHBondContact O-N 2.92Å; K22-N26 PolarHBondContact O-N 3.27Å; K22-N26 PolarHBondContact O-ND2 3.28Å; K22-P51 HydrophobicContact CB-CG 4.49Å
23E96.3Very high96.6Very high133 Ų13357.5 Ų57.562%0.62129%0.285SS*.THydrogen-bonded Turntrans-67.9-45.7179.6-6167.1-141.900110.9T21 F25 N26T21-E23 WeakPolarHBondContact CB-OE2 3.41Å; T21-E23 PolarHBondContact O-N 2.7Å; T21-E23 PolarHBondContact OG1-N 3.12Å; T21-E23 PolarHBondContact OG1-OE2 3.33Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 2.91Å; E23-N26 PolarHBondContact O-N 3.21Å; E23-N26 PolarHBondContact O-ND2 3Å
24E97.1Very high96.7Very high85 Ų8561.5 Ų61.540%0.39730%0.299SS..G310 helixtrans-65-33.5176.8-66.2176.6151.100112.1P20 T21 N26 Y31P20-E24 WeakPolarHBondContact CA-OE2 3.33Å; P20-E24 HydrophobicContact CB-CB 3.97Å; T21-E24 PolarHBondContact N-OE2 3.41Å; T21-E24 PolarHBondContact O-N 2.81Å; T21-E24 PolarHBondContact OG1-N 3.41Å; E24-N26 PolarHBondContact O-N 3.17Å; E24-Y31 HydrophobicContact CB-CD2 3.89Å; E24-Y31 HydrophobicContact CB-CE2 3.74Å; E24-Y31 HydrophobicContact CG-CE2 4.44Å
25F97.1Very high96.7Very high2 Ų258.4 Ų58.41%0.00928%0.277CS..G310 helixtrans-75.1-8-179.6-157.3-115.7000114P20 T21 K22 E23 V48 P50 P51 W54 Q148 W149 F268P20-F25 HydrophobicContact CB-CB 4.09Å; P20-F25 HydrophobicContact CB-CD2 4.07Å; P20-F25 HydrophobicContact CG-CB 4.32Å; P20-F25 HydrophobicContact CG-CD2 3.45Å; P20-F25 VanDerWaalsContact CG-CD2 3.45Å; P20-F25 HydrophobicContact CG-CE2 4.14Å; P20-F25 HydrophobicContact CG-CG 4.25Å; T21-F25 VanDerWaalsContact O-CB 3.32Å; T21-F25 WeakPolarHBondContact O-CB 3.31Å; T21-F25 PolarHBondContact O-N 3.32Å; K22-F25 PolarHBondContact O-N 2.92Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 2.91Å; F25-V48 HydrophobicContact CE2-CG1 4.4Å; F25-P50 HydrophobicContact CE1-CB 4.08Å; F25-P50 HydrophobicContact CE2-CB 4.13Å; F25-P50 HydrophobicContact CZ-CB 3.75Å; F25-P51 HydrophobicContact CB-CG 3.99Å; F25-P51 HydrophobicContact CD1-CG 4.4Å; F25-P51 HydrophobicContact CG-CG 4.22Å; F25-W54 AromaticContact CD1-CD1 3.99Å; F25-W54 HydrophobicContact CD1-CG 4.21Å; F25-W54 AromaticContact CE1-CD1 3.73Å; F25-W54 AromaticContact CE1-CD2 3.77Å; F25-W54 HydrophobicContact CE1-CD2 3.77Å; F25-W54 AromaticContact CE1-CE2 3.67Å; F25-W54 HydrophobicContact CE1-CE3 4.45Å; F25-W54 AromaticContact CE1-CG 3.82Å; F25-W54 HydrophobicContact CE1-CG 3.82Å; F25-W54 HydrophobicContact CE1-CZ2 4.26Å; F25-W54 AromaticContact CE1-NE1 3.63Å; F25-W54 HydrophobicContact CZ-CD2 4.47Å; F25-Q148 HydrophobicContact CD1-CB 3.92Å; F25-Q148 HydrophobicContact CE1-CB 4.13Å; F25-W149 HydrophobicContact CD1-CG 4.42Å; F25-W149 AromaticContact CD2-CD1 3.77Å; F25-W149 AromaticContact CD2-CD2 4Å; F25-W149 HydrophobicContact CD2-CD2 4Å; F25-W149 AromaticContact CD2-CE2 3.61Å; F25-W149 HydrophobicContact CD2-CG 4.11Å; F25-W149 HydrophobicContact CD2-CZ2 4.14Å; F25-W149 AromaticContact CD2-NE1 3.46Å; F25-W149 HydrophobicContact CE1-CB 3.88Å; F25-W149 AromaticContact CE1-CD1 3.83Å; F25-W149 HydrophobicContact CE1-CD2 4.44Å; F25-W149 AromaticContact CE1-CG 3.79Å; F25-W149 HydrophobicContact CE1-CG 3.79Å; F25-W149 HydrophobicContact CE2-CB 4.23Å; F25-W149 AromaticContact CE2-CD1 3.61Å; F25-W149 AromaticContact CE2-CD2 3.25Å; F25-W149 HydrophobicContact CE2-CD2 3.25Å; F25-W149 AromaticContact CE2-CE2 3.34Å; F25-W149 AromaticContact CE2-CE3 3.76Å; F25-W149 HydrophobicContact CE2-CE3 3.76Å; F25-W149 AromaticContact CE2-CG 3.47Å; F25-W149 HydrophobicContact CE2-CG 3.47Å; F25-W149 VanDerWaalsContact CE2-CG 3.47Å; F25-W149 HydrophobicContact CE2-CH2 4.42Å; F25-W149 AromaticContact CE2-CZ2 3.95Å; F25-W149 HydrophobicContact CE2-CZ2 3.95Å; F25-W149 HydrophobicContact CE2-CZ3 4.32Å; F25-W149 AromaticContact CE2-NE1 3.54Å; F25-W149 AromaticContact CG-CD1 3.99Å; F25-W149 AromaticContact CG-NE1 3.97Å; F25-W149 HydrophobicContact CZ-CB 3.53Å; F25-W149 AromaticContact CZ-CD1 3.63Å; F25-W149 AromaticContact CZ-CD2 3.52Å; F25-W149 HydrophobicContact CZ-CD2 3.52Å; F25-W149 HydrophobicContact CZ-CE3 4.04Å; F25-W149 AromaticContact CZ-CG 3.27Å; F25-W149 HydrophobicContact CZ-CG 3.27Å; F25-W149 PolarHBondContact O-NE1 2.91Å; F25-F268 HydrophobicContact CE2-CE2 4.39Å; F25-F268 HydrophobicContact CZ-CD2 4.35Å; F25-F268 AromaticContact CZ-CE2 3.68Å; F25-F268 HydrophobicContact CZ-CE2 3.68Å; F25-F268 HydrophobicContact CZ-CZ 4.19Å
26N94.6Very high96.6Very high85 Ų8557 Ų5746%0.45527%0.27SS..G310 helixtrans-73.6-31.1-179.5-72.7-43.4000113.6K22 E23 E24 Q148K22-N26 PolarHBondContact O-N 3.27Å; K22-N26 PolarHBondContact O-ND2 3.28Å; E23-N26 PolarHBondContact O-N 3.21Å; E23-N26 PolarHBondContact O-ND2 3Å; E24-N26 PolarHBondContact O-N 3.17Å; N26-Q148 WeakPolarHBondContact OD1-CG 3.49Å; N26-Q148 PolarHBondContact OD1-NE2 3.24Å
27D93.8Very high96.5Very high59 Ų5957.1 Ų57.132%0.31628%0.275SS..  trans-115.7101.2-176.1-169.8-28.6000110.2D29 K30 Y31D27-D29 PolarHBondContact OD1-N 3.33Å; D27-K30 HydrophobicContact CB-CB 3.83Å; D27-K30 VanDerWaalsContact CG-CB 3.43Å; D27-K30 PolarHBondContact OD1-N 3.23Å; D27-K30 VanDerWaalsContact OD1-N 3.1Å; D27-Y31 WeakPolarHBondContact O-CB 3.23Å; D27-Y31 PolarHBondContact O-N 3.41Å
28F94.7Very high96.4Very high12 Ų1256.5 Ų56.55%0.05327%0.271CS..Hα-helixtrans-57.5-54.2-177.8176.1-105.5000112K30 Y31 I32 W149 L154 T156 I198 F292F28-K30 VanDerWaalsContact C-N 3.34Å; F28-K30 PolarHBondContact O-N 3.23Å; F28-Y31 PolarHBondContact O-N 3.27Å; F28-Y31 VanDerWaalsContact O-N 3.09Å; F28-I32 HydrophobicContact CD1-CG1 4.3Å; F28-I32 HydrophobicContact CD2-CG1 4.25Å; F28-I32 HydrophobicContact CE1-CG1 3.87Å; F28-I32 HydrophobicContact CE2-CD1 3.78Å; F28-I32 HydrophobicContact CE2-CG1 3.79Å; F28-I32 HydrophobicContact CG-CG1 4.49Å; F28-I32 HydrophobicContact CZ-CD1 3.81Å; F28-I32 HydrophobicContact CZ-CG1 3.6Å; F28-I32 WeakPolarHBondContact O-CG1 3.48Å; F28-I32 PolarHBondContact O-N 3.2Å; F28-W149 AromaticContact CD2-CD2 3.62Å; F28-W149 HydrophobicContact CD2-CD2 3.62Å; F28-W149 AromaticContact CD2-CE2 3.6Å; F28-W149 AromaticContact CD2-CE3 3.9Å; F28-W149 HydrophobicContact CD2-CE3 3.9Å; F28-W149 HydrophobicContact CD2-CG 4.11Å; F28-W149 HydrophobicContact CD2-CH2 4.09Å; F28-W149 AromaticContact CD2-CZ2 3.86Å; F28-W149 HydrophobicContact CD2-CZ2 3.86Å; F28-W149 HydrophobicContact CD2-CZ3 4.12Å; F28-W149 HydrophobicContact CE2-CD2 4.18Å; F28-W149 AromaticContact CE2-CE3 3.97Å; F28-W149 HydrophobicContact CE2-CE3 3.97Å; F28-W149 HydrophobicContact CE2-CH2 4.08Å; F28-W149 HydrophobicContact CE2-CZ2 4.32Å; F28-W149 AromaticContact CE2-CZ3 3.91Å; F28-W149 HydrophobicContact CE2-CZ3 3.91Å; F28-L154 HydrophobicContact CD2-CD2 4.36Å; F28-L154 HydrophobicContact CE1-CD1 4.35Å; F28-L154 HydrophobicContact CE1-CD2 4.46Å; F28-L154 HydrophobicContact CE2-CD2 4.34Å; F28-L154 HydrophobicContact CG-CD2 4.44Å; F28-L154 HydrophobicContact CZ-CD1 4.38Å; F28-L154 HydrophobicContact CZ-CD2 4.37Å; F28-T156 HydrophobicContact CD1-CG2 3.88Å; F28-T156 HydrophobicContact CE1-CG2 3.78Å; F28-I198 HydrophobicContact CE2-CD1 3.76Å; F28-I198 HydrophobicContact CZ-CD1 4.34Å; F28-F292 HydrophobicContact CE1-CD1 4.48Å; F28-F292 AromaticContact CE1-CD2 3.75Å; F28-F292 HydrophobicContact CE1-CD2 3.75Å; F28-F292 AromaticContact CE1-CE2 3.83Å; F28-F292 HydrophobicContact CE1-CE2 3.83Å; F28-F292 HydrophobicContact CE1-CG 4.1Å; F28-F292 HydrophobicContact CE1-CZ 4.23Å; F28-F292 HydrophobicContact CZ-CD1 4.11Å; F28-F292 HydrophobicContact CZ-CD2 4.02Å; F28-F292 AromaticContact CZ-CE1 3.87Å; F28-F292 HydrophobicContact CZ-CE1 3.87Å; F28-F292 AromaticContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CG 4.18Å; F28-F292 AromaticContact CZ-CZ 3.7Å; F28-F292 HydrophobicContact CZ-CZ 3.7Å
29D92.1Very high96.4Very high43 Ų4355.9 Ų55.923%0.2327%0.269CS..Hα-helixtrans-63.5-41.7-175.4-65.6-37.4000111.7D27 Y31 I32 A33 R359D27-D29 PolarHBondContact OD1-N 3.33Å; D29-Y31 VanDerWaalsContact C-N 3.27Å; D29-Y31 PolarHBondContact O-N 2.87Å; D29-I32 PolarHBondContact O-N 2.88Å; D29-A33 PolarHBondContact O-N 3.37Å; D29-R359 IonicContact OD2-CZ 2.8Å; D29-R359 IonicContact OD2-NH2 3.84Å; D29-R359 PolarHBondContact OD2-NH2 3.31Å
30K94.5Very high96.4Very high155 Ų15548.3 Ų48.367%0.67424%0.24SC*.Hα-helixtrans-61.3-39.6176-172.3-177.8178.7-1770111.3D27 F28 A33 Y34D27-K30 HydrophobicContact CB-CB 3.83Å; D27-K30 VanDerWaalsContact CG-CB 3.43Å; D27-K30 PolarHBondContact OD1-N 3.23Å; D27-K30 VanDerWaalsContact OD1-N 3.1Å; F28-K30 VanDerWaalsContact C-N 3.34Å; F28-K30 PolarHBondContact O-N 3.23Å; K30-A33 PolarHBondContact O-N 3.21Å; K30-Y34 PolarHBondContact O-N 3.43Å
31Y97.4Very high96.3Very high11 Ų1148 Ų484%0.04324%0.238CC..Hα-helixtrans-73.6-36179.6-155.7-100000112.6F18 P20 E24 D27 F28 D29 Y34 M35 V48 W149F18-Y31 HydrophobicContact CB-CE1 4.02Å; F18-Y31 HydrophobicContact CG-CE1 4.47Å; P20-Y31 WeakPolarHBondContact CA-OH 3.41Å; P20-Y31 HydrophobicContact CB-CD2 4.32Å; P20-Y31 HydrophobicContact CB-CE1 4.08Å; P20-Y31 HydrophobicContact CB-CE2 3.65Å; P20-Y31 VanDerWaalsContact CB-CZ 3.48Å; P20-Y31 WeakPolarHBondContact CB-OH 3.44Å; P20-Y31 WeakPolarHBondContact CD-OH 3.5Å; P20-Y31 HydrophobicContact CG-CE1 4.05Å; P20-Y31 HydrophobicContact CG-CE2 4.5Å; E24-Y31 HydrophobicContact CB-CD2 3.89Å; E24-Y31 HydrophobicContact CB-CE2 3.74Å; E24-Y31 HydrophobicContact CG-CE2 4.44Å; D27-Y31 WeakPolarHBondContact O-CB 3.23Å; D27-Y31 PolarHBondContact O-N 3.41Å; F28-Y31 PolarHBondContact O-N 3.27Å; F28-Y31 VanDerWaalsContact O-N 3.09Å; D29-Y31 VanDerWaalsContact C-N 3.27Å; D29-Y31 PolarHBondContact O-N 2.87Å; Y31-Y34 HydrophobicContact CD2-CD1 4.12Å; Y31-Y34 AromaticContact CE2-CD1 3.74Å; Y31-Y34 HydrophobicContact CE2-CD1 3.74Å; Y31-Y34 HydrophobicContact CE2-CE1 4.1Å; Y31-Y34 WeakPolarHBondContact O-CB 3.44Å; Y31-Y34 PolarHBondContact O-N 2.8Å; Y31-M35 HydrophobicContact CD1-CG 4.02Å; Y31-M35 HydrophobicContact CD1-SD 3.78Å; Y31-M35 HydrophobicContact CE1-CG 3.97Å; Y31-M35 HydrophobicContact CE1-SD 3.9Å; Y31-M35 WeakPolarHBondContact O-CG 3.25Å; Y31-M35 PolarHBondContact O-N 2.93Å; Y31-V48 HydrophobicContact CE1-CG1 4.21Å; Y31-W149 HydrophobicContact CD1-CH2 4.05Å; Y31-W149 AromaticContact CD1-CZ2 3.67Å; Y31-W149 HydrophobicContact CD1-CZ2 3.67Å; Y31-W149 HydrophobicContact CG-CZ2 4.12Å
32I96.8Very high96.3Very high1 Ų145.9 Ų45.91%0.00522%0.223CC..Hα-helixtrans-59.7-47.8170.7-65.9-58.5000110.3F28 D29 Y34 M35 E36 W149 V270 F292 T294F28-I32 HydrophobicContact CD1-CG1 4.3Å; F28-I32 HydrophobicContact CD2-CG1 4.25Å; F28-I32 HydrophobicContact CE1-CG1 3.87Å; F28-I32 HydrophobicContact CE2-CD1 3.78Å; F28-I32 HydrophobicContact CE2-CG1 3.79Å; F28-I32 HydrophobicContact CG-CG1 4.49Å; F28-I32 HydrophobicContact CZ-CD1 3.81Å; F28-I32 HydrophobicContact CZ-CG1 3.6Å; F28-I32 WeakPolarHBondContact O-CG1 3.48Å; F28-I32 PolarHBondContact O-N 3.2Å; D29-I32 PolarHBondContact O-N 2.88Å; I32-Y34 VanDerWaalsContact C-N 3.31Å; I32-Y34 PolarHBondContact O-N 2.93Å; I32-M35 HydrophobicContact CD1-SD 4.4Å; I32-M35 WeakPolarHBondContact O-CB 3.06Å; I32-M35 PolarHBondContact O-N 3.37Å; I32-E36 WeakPolarHBondContact O-CG 3.32Å; I32-E36 PolarHBondContact O-N 3.1Å; I32-W149 HydrophobicContact CD1-CH2 4.47Å; I32-V270 HydrophobicContact CD1-CG1 4.18Å; I32-V270 HydrophobicContact CD1-CG2 4.2Å; I32-F292 HydrophobicContact CD1-CE2 4.37Å; I32-F292 HydrophobicContact CD1-CZ 3.97Å; I32-F292 HydrophobicContact CG1-CE2 4.12Å; I32-F292 HydrophobicContact CG1-CZ 4.23Å; I32-F292 HydrophobicContact CG2-CE2 4.25Å; I32-T294 HydrophobicContact CG2-CG2 4.11Å
33A95.6Very high96.5Very high32 Ų3240.6 Ų40.626%0.26420%0.2SC..Hα-helixtrans-60.6-39.9176.300000112.1D29 K30 E36 S37 M348D29-A33 PolarHBondContact O-N 3.37Å; K30-A33 PolarHBondContact O-N 3.21Å; A33-E36 PolarHBondContact O-N 2.96Å; A33-S37 PolarHBondContact O-N 3.43Å; A33-M348 HydrophobicContact CB-SD 3.95Å
34Y97.7Very high96.6Very high96 Ų9634.3 Ų34.338%0.37617%0.17SC..Hα-helixtrans-60.4-49.5172.9167.8-109.1000111.7F18 K30 Y31 I32 E36 S37 Q38F18-Y34 HydrophobicContact CD1-CE1 4.01Å; F18-Y34 HydrophobicContact CE1-CE1 4.06Å; K30-Y34 PolarHBondContact O-N 3.43Å; Y31-Y34 HydrophobicContact CD2-CD1 4.12Å; Y31-Y34 AromaticContact CE2-CD1 3.74Å; Y31-Y34 HydrophobicContact CE2-CD1 3.74Å; Y31-Y34 HydrophobicContact CE2-CE1 4.1Å; Y31-Y34 WeakPolarHBondContact O-CB 3.44Å; Y31-Y34 PolarHBondContact O-N 2.8Å; I32-Y34 VanDerWaalsContact C-N 3.31Å; I32-Y34 PolarHBondContact O-N 2.93Å; Y34-E36 VanDerWaalsContact C-N 3.26Å; Y34-E36 PolarHBondContact O-N 3.46Å; Y34-S37 WeakPolarHBondContact O-CB 3.44Å; Y34-S37 PolarHBondContact O-N 3Å; Y34-S37 PolarHBondContact O-OG 2.73Å; Y34-Q38 HydrophobicContact CD2-CG 4.31Å; Y34-Q38 HydrophobicContact CE1-CG 4.39Å; Y34-Q38 HydrophobicContact CE2-CG 3.81Å; Y34-Q38 WeakPolarHBondContact O-CG 3.31Å; Y34-Q38 PolarHBondContact O-N 3.11Å
35M98.3Very high96.6Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-57.2-41.2177-72172.943.600111.7F18 Y31 I32 Q38 G39 A40 A46 V48 V270 F272F18-M35 HydrophobicContact CD1-CG 3.93Å; F18-M35 HydrophobicContact CD2-CE 4.07Å; F18-M35 HydrophobicContact CD2-CG 3.78Å; F18-M35 HydrophobicContact CD2-SD 4.1Å; F18-M35 HydrophobicContact CE1-CB 4.39Å; F18-M35 HydrophobicContact CE1-CG 3.92Å; F18-M35 HydrophobicContact CE2-CB 4.1Å; F18-M35 HydrophobicContact CE2-CE 4.16Å; F18-M35 HydrophobicContact CE2-CG 3.77Å; F18-M35 HydrophobicContact CE2-SD 4.47Å; F18-M35 HydrophobicContact CG-CG 3.87Å; F18-M35 HydrophobicContact CG-SD 4.36Å; F18-M35 HydrophobicContact CZ-CB 4Å; F18-M35 HydrophobicContact CZ-CG 3.85Å; Y31-M35 HydrophobicContact CD1-CG 4.02Å; Y31-M35 HydrophobicContact CD1-SD 3.78Å; Y31-M35 HydrophobicContact CE1-CG 3.97Å; Y31-M35 HydrophobicContact CE1-SD 3.9Å; Y31-M35 WeakPolarHBondContact O-CG 3.25Å; Y31-M35 PolarHBondContact O-N 2.93Å; I32-M35 HydrophobicContact CD1-SD 4.4Å; I32-M35 WeakPolarHBondContact O-CB 3.06Å; I32-M35 PolarHBondContact O-N 3.37Å; M35-Q38 PolarHBondContact O-N 3.14Å; M35-G39 PolarHBondContact O-N 3.34Å; M35-A40 HydrophobicContact CB-CB 4.07Å; M35-A40 WeakPolarHBondContact O-CB 3.27Å; M35-A40 PolarHBondContact O-N 3.17Å; M35-A40 VanDerWaalsContact O-N 3.08Å; M35-A46 HydrophobicContact CE-CB 3.58Å; M35-V48 HydrophobicContact CE-CG2 3.92Å; M35-V48 HydrophobicContact SD-CG2 3.56Å; M35-V48 VanDerWaalsContact SD-CG2 3.56Å; M35-V270 HydrophobicContact CE-CB 4.35Å; M35-V270 HydrophobicContact CE-CG2 4.43Å; M35-F272 HydrophobicContact CE-CZ 3.95Å
36E96.8Very high96.7Very high0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-63.5-42.3175-68.3-161.315100112.4I32 A33 Y34 Q38 G39 H41 Y196 F272 R296 T347 M348I32-E36 WeakPolarHBondContact O-CG 3.32Å; I32-E36 PolarHBondContact O-N 3.1Å; A33-E36 PolarHBondContact O-N 2.96Å; Y34-E36 VanDerWaalsContact C-N 3.26Å; Y34-E36 PolarHBondContact O-N 3.46Å; E36-Q38 PolarHBondContact O-N 3.22Å; E36-Q38 VanDerWaalsContact O-N 3.17Å; E36-G39 WeakPolarHBondContact O-CA 3.45Å; E36-G39 PolarHBondContact O-N 2.89Å; E36-H41 HydrophobicContact CG-CB 4.16Å; E36-H41 PolarHBondContact O-CE1 3.14Å; E36-H41 VanDerWaalsContact O-CE1 3.31Å; E36-H41 PolarHBondContact O-ND1 3.02Å; E36-Y196 WeakPolarHBondContact OE1-CE1 3.45Å; E36-Y196 PolarHBondContact OE1-OH 3.5Å; E36-F272 HydrophobicContact CG-CD1 4.42Å; E36-F272 HydrophobicContact CG-CE1 3.81Å; E36-R296 IonicContact OE1-CZ 3.75Å; E36-R296 IonicContact OE1-NE 3.57Å; E36-R296 PolarHBondContact OE1-NE 3.24Å; E36-R296 IonicContact OE1-NH2 2.8Å; E36-R296 PolarHBondContact OE1-NH2 3.17Å; E36-R296 WeakPolarHBondContact OE2-CD 3.39Å; E36-R296 IonicContact OE2-NE 2.93Å; E36-R296 PolarHBondContact OE2-NE 3.33Å; E36-T347 WeakPolarHBondContact O-CG2 3.38Å; E36-M348 WeakPolarHBondContact OE2-CG 3.28Å
37S95.9Very high96.9Very high49 Ų4926.6 Ų26.634%0.34313%0.132SC..Hα-helixtrans-59.2-26.3176.580.60000113.4A33 Y34 G39A33-S37 PolarHBondContact O-N 3.43Å; Y34-S37 WeakPolarHBondContact O-CB 3.44Å; Y34-S37 PolarHBondContact O-N 3Å; Y34-S37 PolarHBondContact O-OG 2.73Å; S37-G39 VanDerWaalsContact C-N 3.32Å
38Q97.5Very high97.2Very high64 Ų6423.8 Ų23.830%0.29912%0.116SC..THydrogen-bonded Turntrans-86.90.9174.9-55.4-51.9-6500113.1M16 F18 Y34 M35 E36M16-Q38 HydrophobicContact CE-CB 3.96Å; M16-Q38 VanDerWaalsContact SD-O 3.41Å; F18-Q38 HydrophobicContact CE1-CB 4.23Å; F18-Q38 HydrophobicContact CE1-CG 4.18Å; F18-Q38 HydrophobicContact CZ-CB 4.19Å; Y34-Q38 HydrophobicContact CD2-CG 4.31Å; Y34-Q38 HydrophobicContact CE1-CG 4.39Å; Y34-Q38 HydrophobicContact CE2-CG 3.81Å; Y34-Q38 WeakPolarHBondContact O-CG 3.31Å; Y34-Q38 PolarHBondContact O-N 3.11Å; M35-Q38 PolarHBondContact O-N 3.14Å; E36-Q38 PolarHBondContact O-N 3.22Å; E36-Q38 VanDerWaalsContact O-N 3.17Å
39G97.3Very high97.4Very high1 Ų125.2 Ų25.21%0.0112%0.124CC..THydrogen-bonded Turntrans83.316.2179.800000115N10 M35 E36 S37 H41 R42N10-G39 WeakPolarHBondContact CB-O 3.44Å; N10-G39 PolarHBondContact ND2-O 2.7Å; M35-G39 PolarHBondContact O-N 3.34Å; E36-G39 WeakPolarHBondContact O-CA 3.45Å; E36-G39 PolarHBondContact O-N 2.89Å; S37-G39 VanDerWaalsContact C-N 3.32Å; G39-H41 VanDerWaalsContact C-N 3.28Å; G39-H41 PolarHBondContact O-N 3.01Å; G39-R42 WeakPolarHBondContact O-CB 3.38Å; G39-R42 PolarHBondContact O-N 2.83Å
40A98.2Very high97.7Very high0 Ų023.9 Ų23.90%012%0.118CC..G310 helixtrans-60.8-37-178.100000113.2M16 F18 M35 R42 A43 A46 F272M16-A40 HydrophobicContact CB-CB 4.48Å; M16-A40 HydrophobicContact SD-CB 4.07Å; F18-A40 HydrophobicContact CE2-CB 3.67Å; F18-A40 HydrophobicContact CZ-CB 3.85Å; M35-A40 HydrophobicContact CB-CB 4.07Å; M35-A40 WeakPolarHBondContact O-CB 3.27Å; M35-A40 PolarHBondContact O-N 3.17Å; M35-A40 VanDerWaalsContact O-N 3.08Å; A40-R42 PolarHBondContact O-N 2.89Å; A40-A43 PolarHBondContact O-N 3.46Å; A40-A46 HydrophobicContact CB-CB 4.16Å; A40-F272 HydrophobicContact CB-CE2 4.35Å; A40-F272 HydrophobicContact CB-CZ 3.94Å
41H98.1Very high97.8Very high2 Ų217.1 Ų17.11%0.0099%0.09CC..G310 helixtrans-59.6-27.5-17962-77.6000113.8E36 G39 A43 G44 F272 H344E36-H41 HydrophobicContact CG-CB 4.16Å; E36-H41 PolarHBondContact O-CE1 3.14Å; E36-H41 VanDerWaalsContact O-CE1 3.31Å; E36-H41 PolarHBondContact O-ND1 3.02Å; G39-H41 VanDerWaalsContact C-N 3.28Å; G39-H41 PolarHBondContact O-N 3.01Å; H41-A43 PolarHBondContact O-N 3.37Å; H41-G44 PolarHBondContact O-N 3.18Å; H41-F272 VanDerWaalsContact CA-CD1 3.45Å; H41-F272 VanDerWaalsContact CA-CG 3.49Å; H41-F272 HydrophobicContact CB-CB 4.27Å; H41-F272 HydrophobicContact CB-CD1 3.28Å; H41-F272 HydrophobicContact CB-CD2 4.49Å; H41-F272 HydrophobicContact CB-CE1 3.64Å; H41-F272 HydrophobicContact CB-CG 3.79Å; H41-F272 HydrophobicContact CB-CZ 4.35Å; H41-H344 PolarHBondContact CD2-O 3.3Å
42R97.9Very high97.7Very high22 Ų2226.3 Ų26.38%0.08313%0.13CC..G310 helixtrans-64.6-28.2-179.3-61.8-168.963.1-169.2-3.8113.2Q9 N10 C13 G39 A40 G44 P213 P214 E215Q9-R42 WeakPolarHBondContact O-CD 3.39Å; Q9-R42 PolarHBondContact O-NH1 3.14Å; N10-R42 PolarHBondContact O-NH1 3.16Å; C13-R42 HydrophobicContact CB-CB 4.36Å; G39-R42 WeakPolarHBondContact O-CB 3.38Å; G39-R42 PolarHBondContact O-N 2.83Å; A40-R42 PolarHBondContact O-N 2.89Å; R42-G44 VanDerWaalsContact C-N 3.26Å; R42-G44 PolarHBondContact O-N 3.45Å; R42-P213 WeakPolarHBondContact O-CA 3.46Å; R42-P213 VanDerWaalsContact O-CB 3.25Å; R42-P213 WeakPolarHBondContact O-CB 3.43Å; R42-P214 VanDerWaalsContact O-CD 3.32Å; R42-P214 WeakPolarHBondContact O-CD 3.38Å; R42-E215 IonicContact CZ-OE2 2.79Å; R42-E215 IonicContact NE-OE2 3.73Å; R42-E215 PolarHBondContact NE-OE2 3.41Å; R42-E215 IonicContact NH2-OE1 2.61Å; R42-E215 IonicContact NH2-OE2 3.63Å; R42-E215 PolarHBondContact NH2-OE2 3.18Å
43A98.3Very high97.6Very high1 Ų132 Ų321%0.00816%0.156CC..G310 helixtrans-76.3-14.2174.800000113.3C13 S14 I15 A40 H41 L45C13-A43 WeakPolarHBondContact O-CA 3.39Å; C13-A43 VanDerWaalsContact O-CB 3.27Å; C13-A43 WeakPolarHBondContact O-CB 3.38Å; S14-A43 WeakPolarHBondContact O-CB 3.45Å; I15-A43 HydrophobicContact CG1-CB 4.17Å; A40-A43 PolarHBondContact O-N 3.46Å; H41-A43 PolarHBondContact O-N 3.37Å; A43-L45 PolarHBondContact O-N 2.88Å
44G98.1Very high97.6Very high0 Ų031.8 Ų31.80%015%0.149CC..SBendtrans75.6-10.5-171.500000114.2H41 R42 T271 F272H41-G44 PolarHBondContact O-N 3.18Å; R42-G44 VanDerWaalsContact C-N 3.26Å; R42-G44 PolarHBondContact O-N 3.45Å; G44-T271 WeakPolarHBondContact O-CA 3.41Å; G44-F272 PolarHBondContact O-N 2.92Å
45L98.8Very high97.5Very high0 Ų035.4 Ų35.40%016%0.162CC..EExtended strand (participates in β ladder)trans-151.1140.2-177-17471.3000110.7I15 A43 W209 A211 I261 M269 V270 T271I15-L45 HydrophobicContact CD1-CD2 4.11Å; I15-L45 HydrophobicContact CG1-CB 4.47Å; A43-L45 PolarHBondContact O-N 2.88Å; L45-W209 HydrophobicContact CD1-CE3 4.1Å; L45-W209 HydrophobicContact CD1-CZ3 4.49Å; L45-W209 HydrophobicContact CD2-CB 3.63Å; L45-W209 HydrophobicContact CD2-CD2 4.44Å; L45-W209 HydrophobicContact CD2-CE3 4.36Å; L45-W209 HydrophobicContact CD2-CG 4.18Å; L45-A211 HydrophobicContact CB-CB 3.52Å; L45-A211 HydrophobicContact CD2-CB 3.91Å; L45-A211 HydrophobicContact CG-CB 4.36Å; L45-I261 HydrophobicContact CD2-CG2 3.88Å; L45-M269 HydrophobicContact CD1-CB 4.36Å; L45-M269 HydrophobicContact CD1-CE 3.69Å; L45-M269 HydrophobicContact CD2-CE 3.55Å; L45-M269 HydrophobicContact CG-CE 3.51Å; L45-V270 CarbonylContact C-O 3.55Å; L45-V270 WeakPolarHBondContact CA-O 3.45Å; L45-T271 HydrophobicContact CD1-CG2 3.79Å
46A98.9Very high97.3Very high0 Ų035.4 Ų35.40%016%0.162CC..EExtended strand (participates in β ladder)trans-137.5155.2170.400000111.3F18 M35 A40 M269 V270 F272F18-A46 HydrophobicContact CD2-CB 4.5Å; F18-A46 HydrophobicContact CE2-CB 4.31Å; M35-A46 HydrophobicContact CE-CB 3.58Å; A40-A46 HydrophobicContact CB-CB 4.16Å; A46-M269 WeakPolarHBondContact O-CA 3.45Å; A46-V270 PolarHBondContact N-O 3.43Å; A46-V270 PolarHBondContact O-N 2.89Å; A46-F272 HydrophobicContact CB-CE2 3.76Å; A46-F272 HydrophobicContact CB-CZ 4.27Å
47K98.9Very high97.3Very high11 Ų1136.5 Ų36.55%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-106.7139.2173179.1-172.8-76.7-159.30110M16 I17 F18 I49 I261 T262 E267 F268 M269M16-K47 PolarHBondContact O-N 3.5Å; I17-K47 CarbonylContact C-O 3.59Å; I17-K47 WeakPolarHBondContact CA-O 3.25Å; I17-K47 HydrophobicContact CD1-CD 4.45Å; I17-K47 HydrophobicContact CG1-CB 4.25Å; I17-K47 HydrophobicContact CG1-CD 4.4Å; I17-K47 HydrophobicContact CG2-CB 4.16Å; I17-K47 HydrophobicContact CG2-CD 3.82Å; I17-K47 HydrophobicContact CG2-CG 4.09Å; F18-K47 PolarHBondContact N-O 2.98Å; K47-I49 HydrophobicContact CD-CD1 4.37Å; K47-I49 HydrophobicContact CD-CG1 4.1Å; K47-I49 HydrophobicContact CG-CG1 4.33Å; K47-I261 HydrophobicContact CB-CD1 3.93Å; K47-I261 HydrophobicContact CD-CD1 4.17Å; K47-T262 WeakPolarHBondContact CE-O 3.39Å; K47-T262 PolarHBondContact NZ-O 3.17Å; K47-E267 WeakPolarHBondContact CD-OE2 3.27Å; K47-E267 WeakPolarHBondContact CE-OE2 3.32Å; K47-E267 VanDerWaalsContact NZ-CD 3.32Å; K47-E267 IonicContact NZ-OE1 2.72Å; K47-E267 PolarHBondContact NZ-OE1 3.33Å; K47-E267 IonicContact NZ-OE2 2.74Å; K47-E267 PolarHBondContact NZ-OE2 3.28Å; K47-F268 WeakPolarHBondContact CA-O 3.31Å; K47-M269 HydrophobicContact CB-CE 4.24Å; K47-M269 HydrophobicContact CB-SD 3.67Å; K47-M269 HydrophobicContact CG-SD 3.85Å
48V98.9Very high97.1Very high0 Ų040.7 Ų40.70%018%0.18CC..EExtended strand (participates in β ladder)trans-124.3121.4171.2-172.30000109F18 P20 F25 Y31 M35 W149 F268F18-V48 HydrophobicContact CB-CG1 4.48Å; F18-V48 HydrophobicContact CB-CG2 4.34Å; P20-V48 HydrophobicContact CG-CG1 3.78Å; F25-V48 HydrophobicContact CE2-CG1 4.4Å; Y31-V48 HydrophobicContact CE1-CG1 4.21Å; M35-V48 HydrophobicContact CE-CG2 3.92Å; M35-V48 HydrophobicContact SD-CG2 3.56Å; M35-V48 VanDerWaalsContact SD-CG2 3.56Å; V48-W149 HydrophobicContact CB-CH2 4.27Å; V48-W149 HydrophobicContact CB-CZ3 4.22Å; V48-W149 HydrophobicContact CG1-CH2 4Å; V48-W149 HydrophobicContact CG1-CZ3 4.23Å; V48-W149 HydrophobicContact CG2-CH2 3.97Å; V48-W149 HydrophobicContact CG2-CZ3 4.19Å; V48-F268 HydrophobicContact CB-CB 4.16Å; V48-F268 PolarHBondContact N-O 3.19Å; V48-F268 PolarHBondContact O-N 2.82Å
49I98.8Very high96.9Very high42 Ų4239.8 Ų39.822%0.21518%0.181CC..  trans-98.7111.8175.2-54.3-176.8000107.1I17 F18 R19 P20 K47 E267I17-I49 HydrophobicContact CG2-CD1 3.96Å; I17-I49 HydrophobicContact CG2-CG1 4.08Å; F18-I49 PolarHBondContact O-N 3.4Å; R19-I49 HydrophobicContact CG-CB 4.06Å; R19-I49 HydrophobicContact CG-CD1 4.5Å; P20-I49 WeakPolarHBondContact CD-O 3.45Å; K47-I49 HydrophobicContact CD-CD1 4.37Å; K47-I49 HydrophobicContact CD-CG1 4.1Å; K47-I49 HydrophobicContact CG-CG1 4.33Å; I49-E267 WeakPolarHBondContact CD1-OE1 3.3Å; I49-E267 HydrophobicContact CG1-CG 4.22Å
50P98.4Very high96.9Very high15 Ų1542.1 Ų42.110%0.09719%0.19CC..  trans-66.6164-175.829.1-34.6000111.8F25 W54 G266 F268F25-P50 HydrophobicContact CE1-CB 4.08Å; F25-P50 HydrophobicContact CE2-CB 4.13Å; F25-P50 HydrophobicContact CZ-CB 3.75Å; P50-W54 HydrophobicContact CB-CD2 4.17Å; P50-W54 HydrophobicContact CB-CE3 3.59Å; P50-W54 HydrophobicContact CB-CZ3 4.15Å; P50-W54 HydrophobicContact CG-CE3 3.67Å; P50-W54 HydrophobicContact CG-CZ3 3.92Å; P50-G266 WeakPolarHBondContact CD-O 3.48Å; P50-G266 WeakPolarHBondContact CG-O 3.44Å; P50-F268 HydrophobicContact CB-CE2 4.22Å; P50-F268 HydrophobicContact CG-CD2 4.34Å; P50-F268 HydrophobicContact CG-CE2 4.16Å
51P98.1Very high96.6Very high13 Ų1348.8 Ų48.88%0.08423%0.226CC..  trans-52.8142.3171.7-22.731.5000111.4K22 F25 E53 W54K22-P51 HydrophobicContact CB-CG 4.49Å; F25-P51 HydrophobicContact CB-CG 3.99Å; F25-P51 HydrophobicContact CD1-CG 4.4Å; F25-P51 HydrophobicContact CG-CG 4.22Å; P51-E53 HydrophobicContact CB-CG 4.39Å; P51-E53 PolarHBondContact O-N 3.28Å; P51-E53 VanDerWaalsContact O-N 3.14Å; P51-W54 HydrophobicContact CB-CB 4.4Å; P51-W54 WeakPolarHBondContact O-CB 3.49Å; P51-W54 PolarHBondContact O-N 3.18Å
52K95.1Very high96.3Very high203 Ų20354.3 Ų54.388%0.88326%0.255SS*.THydrogen-bonded Turntrans-60.9-29.4-172.6-67.7-178178.6179.40113.3
53E93.6Very high96.2Very high120 Ų12053.5 Ų53.556%0.56125%0.253SS*.THydrogen-bonded Turntrans-79.1-17.8177.865.1-86.4-158.200113.4P51P51-E53 HydrophobicContact CB-CG 4.39Å; P51-E53 PolarHBondContact O-N 3.28Å; P51-E53 VanDerWaalsContact O-N 3.14Å
54W96.6Very high96.1Very high29 Ų2954.9 Ų54.911%0.1126%0.262CS..  trans-79.4140.2178.4179.993.7000110.6F25 P50 P51 A56 F142 T146 Q148 Y200 F268F25-W54 AromaticContact CD1-CD1 3.99Å; F25-W54 HydrophobicContact CD1-CG 4.21Å; F25-W54 AromaticContact CE1-CD1 3.73Å; F25-W54 AromaticContact CE1-CD2 3.77Å; F25-W54 HydrophobicContact CE1-CD2 3.77Å; F25-W54 AromaticContact CE1-CE2 3.67Å; F25-W54 HydrophobicContact CE1-CE3 4.45Å; F25-W54 AromaticContact CE1-CG 3.82Å; F25-W54 HydrophobicContact CE1-CG 3.82Å; F25-W54 HydrophobicContact CE1-CZ2 4.26Å; F25-W54 AromaticContact CE1-NE1 3.63Å; F25-W54 HydrophobicContact CZ-CD2 4.47Å; P50-W54 HydrophobicContact CB-CD2 4.17Å; P50-W54 HydrophobicContact CB-CE3 3.59Å; P50-W54 HydrophobicContact CB-CZ3 4.15Å; P50-W54 HydrophobicContact CG-CE3 3.67Å; P50-W54 HydrophobicContact CG-CZ3 3.92Å; P51-W54 HydrophobicContact CB-CB 4.4Å; P51-W54 WeakPolarHBondContact O-CB 3.49Å; P51-W54 PolarHBondContact O-N 3.18Å; W54-A56 HydrophobicContact CH2-CB 3.71Å; W54-A56 HydrophobicContact CZ2-CB 4.26Å; W54-A56 HydrophobicContact CZ3-CB 4.31Å; W54-F142 AromaticContact CH2-CE1 3.87Å; W54-F142 HydrophobicContact CH2-CE1 3.87Å; W54-F142 HydrophobicContact CH2-CZ 4.42Å; W54-F142 AromaticContact CZ2-CE1 3.84Å; W54-F142 HydrophobicContact CZ2-CE1 3.84Å; W54-T146 HydrophobicContact CZ2-CG2 4.15Å; W54-Q148 PolarHBondContact NE1-O 3.27Å; W54-Y200 HydrophobicContact CH2-CD2 4.4Å; W54-Y200 HydrophobicContact CH2-CE1 4.45Å; W54-Y200 AromaticContact CH2-CE2 3.84Å; W54-Y200 HydrophobicContact CH2-CE2 3.84Å; W54-Y200 AromaticContact CH2-CZ 3.86Å; W54-Y200 HydrophobicContact CZ3-CD2 4.48Å; W54-Y200 AromaticContact CZ3-CE2 3.56Å; W54-Y200 HydrophobicContact CZ3-CE2 3.56Å; W54-Y200 AromaticContact CZ3-CZ 3.63Å; W54-Y200 WeakPolarHBondContact CZ3-OH 3.31Å; W54-F268 AromaticContact CH2-CE2 3.62Å; W54-F268 HydrophobicContact CH2-CE2 3.62Å; W54-F268 AromaticContact CH2-CZ 3.39Å; W54-F268 HydrophobicContact CH2-CZ 3.39Å; W54-F268 HydrophobicContact CZ2-CE2 4.35Å; W54-F268 AromaticContact CZ2-CZ 3.98Å; W54-F268 HydrophobicContact CZ2-CZ 3.98Å; W54-F268 AromaticContact CZ3-CE2 3.73Å; W54-F268 HydrophobicContact CZ3-CE2 3.73Å; W54-F268 HydrophobicContact CZ3-CZ 4Å
55R94.4Very high96Very high171 Ų17161.7 Ų61.765%0.64530%0.298SS*.  trans-143.5135.9173.8-62.2-174.2178-141.2-2.4109.3R57R55-R57 PolarHBondContact O-N 3.05Å
56A95.4Very high96Very high1 Ų163.9 Ų63.91%0.00831%0.31CS..SBendtrans-59-36.717500000112.8W54 F142 D143 T146 Y200W54-A56 HydrophobicContact CH2-CB 3.71Å; W54-A56 HydrophobicContact CZ2-CB 4.26Å; W54-A56 HydrophobicContact CZ3-CB 4.31Å; A56-F142 HydrophobicContact CB-CD1 3.74Å; A56-F142 HydrophobicContact CB-CE1 3.57Å; A56-F142 HydrophobicContact CB-CE2 4.48Å; A56-F142 HydrophobicContact CB-CG 4.29Å; A56-F142 HydrophobicContact CB-CZ 3.96Å; A56-D143 PolarHBondContact O-N 3.31Å; A56-D143 VanDerWaalsContact O-N 3.12Å; A56-T146 PolarHBondContact O-OG1 3.17Å; A56-Y200 HydrophobicContact CB-CD1 4.2Å; A56-Y200 HydrophobicContact CB-CE1 3.45Å; A56-Y200 VanDerWaalsContact CB-CE1 3.45Å
57R95.5Very high95.9Very high23 Ų2369 Ų699%0.08734%0.336CS..  trans-156.6166.7-179.971.6-176.8-48-165.6-23.8113.1R55 S59 Y60 N62 I63 L141 D143R55-R57 PolarHBondContact O-N 3.05Å; R57-S59 WeakPolarHBondContact CD-O 3.37Å; R57-S59 PolarHBondContact NE-O 3.38Å; R57-S59 PolarHBondContact NH2-O 2.77Å; R57-Y60 VanDerWaalsContact CD-CD1 3.4Å; R57-Y60 HydrophobicContact CG-CD1 4.31Å; R57-Y60 HydrophobicContact CG-CE1 3.78Å; R57-Y60 HydrophobicContact CG-CE2 4.05Å; R57-N62 PolarHBondContact NH2-OD1 2.83Å; R57-I63 VanDerWaalsContact NH1-CG2 3.26Å; R57-L141 WeakPolarHBondContact CD-O 3.4Å; R57-L141 PolarHBondContact NE-O 2.92Å; R57-L141 VanDerWaalsContact NE-O 3.16Å; R57-D143 VanDerWaalsContact CA-OD2 3.26Å; R57-D143 WeakPolarHBondContact CA-OD2 3.44Å; R57-D143 HydrophobicContact CB-CB 4.38Å; R57-D143 VanDerWaalsContact CB-CG 3.5Å; R57-D143 WeakPolarHBondContact CB-OD1 3.41Å
58Q91.7Very high95.9Very high136 Ų13668.5 Ų68.564%0.63633%0.334SS*.SBendtrans-74.1-46.5-177.9-156.670.137.400114.6D143Q58-D143 PolarHBondContact N-OD2 3.5Å
59S94.3Very high95.8Very high46 Ų4671.5 Ų71.532%0.32236%0.359SS..  trans-151156.2-178.9169.80000111R57 D61R57-S59 WeakPolarHBondContact CD-O 3.37Å; R57-S59 PolarHBondContact NE-O 3.38Å; R57-S59 PolarHBondContact NH2-O 2.77Å; S59-D61 PolarHBondContact OG-N 2.91Å; S59-D61 VanDerWaalsContact OG-N 3.08Å; S59-D61 PolarHBondContact OG-OD2 3.08Å
60Y96.3Very high95.7Very high50 Ų5072.5 Ų72.520%0.19637%0.367CS..  trans-106.76.3175.7-65.6-81.3000113.6R57 N62 I63 L141 H202 F203R57-Y60 VanDerWaalsContact CD-CD1 3.4Å; R57-Y60 HydrophobicContact CG-CD1 4.31Å; R57-Y60 HydrophobicContact CG-CE1 3.78Å; R57-Y60 HydrophobicContact CG-CE2 4.05Å; Y60-N62 PolarHBondContact O-N 2.91Å; Y60-I63 HydrophobicContact CD1-CD1 4.48Å; Y60-I63 WeakPolarHBondContact O-CG1 3.2Å; Y60-I63 WeakPolarHBondContact O-CG2 3.47Å; Y60-I63 PolarHBondContact O-N 3.47Å; Y60-L141 HydrophobicContact CD1-CD1 4.31Å; Y60-L141 HydrophobicContact CE1-CD1 4.25Å; Y60-H202 HydrophobicContact CE1-CB 3.52Å; Y60-H202 AromaticContact CE1-CG 3.73Å; Y60-H202 AromaticContact CE1-ND1 3.47Å; Y60-H202 WeakPolarHBondContact CE1-ND1 3.44Å; Y60-H202 AromaticContact CZ-CG 4Å; Y60-H202 AromaticContact CZ-ND1 3.59Å; Y60-H202 WeakPolarHBondContact OH-CA 3.36Å; Y60-H202 WeakPolarHBondContact OH-CB 3.21Å; Y60-H202 PolarHBondContact OH-ND1 3.1Å; Y60-H202 PolarHBondContact OH-O 3.49Å; Y60-H202 VanDerWaalsContact OH-O 3.09Å; Y60-F203 AromaticContact CD1-CD1 3.31Å; Y60-F203 HydrophobicContact CD1-CD1 3.31Å; Y60-F203 AromaticContact CD1-CE1 3.57Å; Y60-F203 HydrophobicContact CD1-CE1 3.57Å; Y60-F203 HydrophobicContact CD1-CG 4.47Å; Y60-F203 HydrophobicContact CD2-CB 4.34Å; Y60-F203 HydrophobicContact CD2-CD1 4.02Å; Y60-F203 AromaticContact CE1-CD1 3.61Å; Y60-F203 HydrophobicContact CE1-CD1 3.61Å; Y60-F203 HydrophobicContact CE1-CE1 4.1Å; Y60-F203 HydrophobicContact CE2-CB 4.35Å; Y60-F203 HydrophobicContact CE2-CD1 4.26Å; Y60-F203 AromaticContact CG-CD1 3.55Å; Y60-F203 HydrophobicContact CG-CD1 3.55Å; Y60-F203 HydrophobicContact CG-CE1 4.05Å; Y60-F203 HydrophobicContact CG-CG 4.37Å
61D92.9Very high95.7Very high139 Ų13971.8 Ų71.874%0.74336%0.363SS*.G310 helixtrans-64.9-27-172.6-58.9-37.9000113.4S59 I63S59-D61 PolarHBondContact OG-N 2.91Å; S59-D61 VanDerWaalsContact OG-N 3.08Å; S59-D61 PolarHBondContact OG-OD2 3.08Å; D61-I63 VanDerWaalsContact C-N 3.34Å; D61-I63 PolarHBondContact O-N 3.17Å
62N92.4Very high95.6Very high118 Ų11872.3 Ų72.363%0.63137%0.365SS*.G310 helixtrans-86.86.2-17670-15.3000114.8R57 Y60R57-N62 PolarHBondContact NH2-OD1 2.83Å; Y60-N62 PolarHBondContact O-N 2.91Å
63I95.8Very high95.8Very high6 Ų664.2 Ų64.23%0.03133%0.33CS..G310 helixtrans-88-11.2-175.173.9-175.9000113.8R57 Y60 D61 N65 I66 V95 L141 F203R57-I63 VanDerWaalsContact NH1-CG2 3.26Å; Y60-I63 HydrophobicContact CD1-CD1 4.48Å; Y60-I63 WeakPolarHBondContact O-CG1 3.2Å; Y60-I63 WeakPolarHBondContact O-CG2 3.47Å; Y60-I63 PolarHBondContact O-N 3.47Å; D61-I63 VanDerWaalsContact C-N 3.34Å; D61-I63 PolarHBondContact O-N 3.17Å; I63-N65 PolarHBondContact O-N 3.26Å; I63-I66 HydrophobicContact CB-CD1 3.82Å; I63-I66 HydrophobicContact CB-CG1 4.48Å; I63-I66 HydrophobicContact CG2-CD1 4.17Å; I63-I66 WeakPolarHBondContact O-CB 3.39Å; I63-I66 WeakPolarHBondContact O-CG1 3.36Å; I63-I66 PolarHBondContact O-N 3.18Å; I63-V95 HydrophobicContact CD1-CG1 4.36Å; I63-V95 HydrophobicContact CG1-CG1 4.17Å; I63-V95 WeakPolarHBondContact O-CB 3.34Å; I63-L141 HydrophobicContact CG2-CD1 4.42Å; I63-L141 HydrophobicContact CG2-CD2 4.1Å; I63-F203 HydrophobicContact CD1-CD1 4.32Å; I63-F203 HydrophobicContact CD1-CE1 3.2Å; I63-F203 HydrophobicContact CD1-CE2 4.27Å; I63-F203 HydrophobicContact CD1-CZ 3.17Å
64S95.8Very high96Very high29 Ų2958.7 Ų58.720%0.20330%0.304CS..THydrogen-bonded Turntrans-58.6-27.7-171.1-57.50000113.1T94 V95 G96S64-T94 WeakPolarHBondContact O-CB 3.5Å; S64-V95 PolarHBondContact O-N 3.38Å; S64-G96 PolarHBondContact O-N 3.18Å
65N96.4Very high96Very high143 Ų14360 Ų6077%0.76532%0.315SS*.THydrogen-bonded Turntrans-88.1-2.4-178.6-63.1-24.4000114I63 L67I63-N65 PolarHBondContact O-N 3.26Å; N65-L67 PolarHBondContact O-N 3.06Å
66I97.1Very high96.1Very high47 Ų4752.7 Ų52.724%0.24129%0.289CS..  trans-62.3131.6175.8-65.5175.3000108.5I63 T94 V95 V137 L141 F179I63-I66 HydrophobicContact CB-CD1 3.82Å; I63-I66 HydrophobicContact CB-CG1 4.48Å; I63-I66 HydrophobicContact CG2-CD1 4.17Å; I63-I66 WeakPolarHBondContact O-CB 3.39Å; I63-I66 WeakPolarHBondContact O-CG1 3.36Å; I63-I66 PolarHBondContact O-N 3.18Å; I66-T94 CarbonylContact O-C 3.5Å; I66-T94 VanDerWaalsContact O-CA 3.28Å; I66-T94 WeakPolarHBondContact O-CA 3.46Å; I66-V95 HydrophobicContact CB-CG2 3.77Å; I66-V95 HydrophobicContact CG2-CG2 4.09Å; I66-V95 PolarHBondContact O-N 3.4Å; I66-V137 HydrophobicContact CG2-CG1 4.5Å; I66-L141 HydrophobicContact CD1-CD2 3.63Å; I66-F179 HydrophobicContact CG2-CE2 4.5Å; I66-F179 HydrophobicContact CG2-CZ 4.42Å
67L97.8Very high96.1Very high107 Ų10755.1 Ų55.156%0.5631%0.306SS*.EExtended strand (participates in β ladder)trans-86.7121.3-179.5179.665.8000110.5N65 A69N65-L67 PolarHBondContact O-N 3.06Å; L67-A69 PolarHBondContact O-N 2.61Å
68I98Very high96Very high1 Ų155.9 Ų55.91%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-87.895.2163-50.6173.8000106.3T70 P71 G92 M93 V95 Y98 V137 F179I68-T70 VanDerWaalsContact C-N 3.35Å; I68-T70 PolarHBondContact O-N 3.35Å; I68-P71 HydrophobicContact CB-CG 4.22Å; I68-P71 HydrophobicContact CG2-CB 4.13Å; I68-P71 HydrophobicContact CG2-CG 3.7Å; I68-P71 WeakPolarHBondContact O-CD 3.43Å; I68-G92 WeakPolarHBondContact O-CA 3.41Å; I68-M93 WeakPolarHBondContact CA-O 3.18Å; I68-M93 WeakPolarHBondContact CB-O 3.42Å; I68-M93 PolarHBondContact N-O 2.94Å; I68-M93 PolarHBondContact O-N 3.31Å; I68-V95 HydrophobicContact CD1-CG2 4.26Å; I68-V95 HydrophobicContact CG1-CG2 4.18Å; I68-Y98 HydrophobicContact CD1-CD1 4.36Å; I68-Y98 HydrophobicContact CD1-CD2 3.83Å; I68-Y98 HydrophobicContact CD1-CG 3.71Å; I68-V137 HydrophobicContact CB-CG2 4.45Å; I68-V137 HydrophobicContact CG1-CG2 4.47Å; I68-V137 HydrophobicContact CG2-CG2 3.96Å; I68-F179 HydrophobicContact CD1-CB 4.02Å; I68-F179 HydrophobicContact CD1-CD2 3.84Å; I68-F179 HydrophobicContact CD1-CG 4Å; I68-F179 HydrophobicContact CG1-CD2 3.94Å; I68-F179 HydrophobicContact CG1-CE2 4.34Å
69A97.3Very high96.1Very high62 Ų6256.7 Ų56.751%0.51233%0.325SS..SBendtrans-65.1-36-170.100000113.3L67 G92L67-A69 PolarHBondContact O-N 2.61Å; A69-G92 WeakPolarHBondContact O-CA 3.34Å
70T96.6Very high95.9Very high64 Ų6458.8 Ų58.839%0.39335%0.346SS..SBendtrans-141.377.5-178.3-55.30000111.2I68 L72 K89I68-T70 VanDerWaalsContact C-N 3.35Å; I68-T70 PolarHBondContact O-N 3.35Å; T70-L72 HydrophobicContact CG2-CD2 4.25Å; T70-K89 HydrophobicContact CG2-CB 3.9Å; T70-K89 HydrophobicContact CG2-CD 3.73Å; T70-K89 HydrophobicContact CG2-CG 3.65Å
71P97.6Very high95.8Very high0 Ų057 Ų570%034%0.342CS..  trans-62.6143173.9-13.526.1000110.8I68 K90 M93 I132I68-P71 HydrophobicContact CB-CG 4.22Å; I68-P71 HydrophobicContact CG2-CB 4.13Å; I68-P71 HydrophobicContact CG2-CG 3.7Å; I68-P71 WeakPolarHBondContact O-CD 3.43Å; P71-K90 HydrophobicContact CB-CB 4.27Å; P71-K90 WeakPolarHBondContact O-CB 3.35Å; P71-K90 PolarHBondContact O-N 2.8Å; P71-M93 HydrophobicContact CG-CE 4.12Å; P71-M93 HydrophobicContact CG-CG 3.85Å; P71-M93 HydrophobicContact CG-SD 4.23Å; P71-I132 HydrophobicContact CB-CG2 3.52Å
72L97.9Very high96Very high24 Ų2451.7 Ų51.713%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-110111.4-173.9-58.3-179.5000110.7T70 Q74 H87 K89 I132 Y133T70-L72 HydrophobicContact CG2-CD2 4.25Å; L72-Q74 PolarHBondContact O-N 2.96Å; L72-H87 HydrophobicContact CB-CB 4.21Å; L72-H87 HydrophobicContact CD1-CB 4.33Å; L72-H87 HydrophobicContact CD2-CB 4.32Å; L72-K89 HydrophobicContact CD2-CG 4.05Å; L72-I132 CarbonylContact O-C 3.58Å; L72-I132 WeakPolarHBondContact O-CA 3.28Å; L72-Y133 PolarHBondContact N-O 3.39Å; L72-Y133 PolarHBondContact O-N 3.17Å
73Q98.3Very high96.3Very high32 Ų3246.4 Ų46.415%0.1529%0.286CS..EExtended strand (participates in β ladder)trans-75.9120.3170.5-175.7169.428.300110V75 K88 K90 S130 P131 I132Q73-V75 PolarHBondContact O-N 2.73Å; Q73-K88 HydrophobicContact CB-CB 4.27Å; Q73-K88 WeakPolarHBondContact CB-O 3.29Å; Q73-K88 PolarHBondContact N-O 3.08Å; Q73-K88 PolarHBondContact O-N 3.32Å; Q73-K90 HydrophobicContact CB-CD 3.9Å; Q73-K90 HydrophobicContact CB-CG 3.92Å; Q73-S130 PolarHBondContact NE2-O 2.95Å; Q73-P131 CarbonylContact C-O 3.53Å; Q73-P131 WeakPolarHBondContact CA-O 3.46Å; Q73-I132 HydrophobicContact CB-CG1 3.98Å; Q73-I132 HydrophobicContact CG-CG1 4.15Å
74Q98Very high96.3Very high4 Ų447 Ų472%0.01929%0.29CS..EExtended strand (participates in β ladder)trans-92.992.6-174.1-59.1-172.1-42.200110.6L72 S130 P131 T184 T185L72-Q74 PolarHBondContact O-N 2.96Å; Q74-S130 WeakPolarHBondContact O-CA 3.45Å; Q74-S130 WeakPolarHBondContact O-CB 3.45Å; Q74-P131 HydrophobicContact CB-CG 4.38Å; Q74-P131 PolarHBondContact N-O 3.19Å; Q74-T184 VanDerWaalsContact OE1-CA 3.31Å; Q74-T185 PolarHBondContact NE2-O 3.34Å
75V97.2Very high96.3Very high58 Ų5845.8 Ų45.835%0.35228%0.281SS..EExtended strand (participates in β ladder)trans-83136.4175.2-175.30000108.4Q73 Q85 Y86Q73-V75 PolarHBondContact O-N 2.73Å; V75-Q85 CarbonylContact O-C 3.53Å; V75-Q85 WeakPolarHBondContact O-CA 3.46Å; V75-Y86 PolarHBondContact N-O 3.09Å; V75-Y86 PolarHBondContact O-N 3.35Å
76V95.6Very high96.1Very high16 Ų1645.3 Ų45.310%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-126.8141.9-176.5-178.90000110.7F83 T84 Q85 R126 L127 L245V76-F83 HydrophobicContact CG1-CB 3.42Å; V76-F83 VanDerWaalsContact CG1-CB 3.42Å; V76-F83 HydrophobicContact CG1-CD1 4.05Å; V76-F83 HydrophobicContact CG1-CG 3.91Å; V76-T84 WeakPolarHBondContact CA-O 3.43Å; V76-Q85 HydrophobicContact CG2-CB 3.8Å; V76-R126 HydrophobicContact CG1-CG 4.31Å; V76-R126 VanDerWaalsContact CG2-NH1 3.29Å; V76-L127 HydrophobicContact CG1-CD2 4.12Å; V76-L245 HydrophobicContact CG1-CD1 4.47Å; V76-L245 HydrophobicContact CG2-CD1 4.47Å
77S95.8Very high96Very high52 Ų5247 Ų4736%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-130.9156.5172.765.70000109.6F83 T84S77-F83 CarbonylContact O-C 3.58Å; S77-F83 WeakPolarHBondContact O-CA 3.4Å; S77-F83 WeakPolarHBondContact O-CB 3.15Å; S77-T84 PolarHBondContact N-O 3.4Å; S77-T84 PolarHBondContact O-N 2.72Å
78G94.1Very high95.9Very high40 Ų4048.1 Ų48.141%0.41228%0.277SS..EExtended strand (participates in β ladder)trans123.5-171.1-176.300000111.8V82 L127G78-V82 CarbonylContact C-O 3.46Å; G78-V82 WeakPolarHBondContact CA-O 3.35Å; G78-L127 WeakPolarHBondContact O-CD1 3.31Å; G78-L127 WeakPolarHBondContact O-CD2 3.39Å
79Q92.7Very high95.9Very high153 Ų15355.7 Ų55.772%0.71531%0.309SS*.EExtended strand (participates in β ladder)trans-161.6168.1-175.559.2-175-15.900111.4G81 V82Q79-G81 PolarHBondContact O-N 3.17Å; Q79-G81 VanDerWaalsContact O-N 3.1Å; Q79-V82 PolarHBondContact N-O 3.14Å; Q79-V82 PolarHBondContact O-N 3.42Å; Q79-V82 VanDerWaalsContact O-O 3.07Å
80A90.9Very high95.9Very high90 Ų9056.5 Ų56.574%0.74430%0.301SS*.THydrogen-bonded Turntrans51.936.9171.400000114.9V82 V250A80-V82 VanDerWaalsContact C-N 3.32Å; A80-V82 PolarHBondContact O-N 3.14Å; A80-V250 WeakPolarHBondContact O-CG2 3.26Å
81G93.8Very high95.9Very high11 Ų1162.3 Ų62.311%0.11332%0.321CS..THydrogen-bonded Turntrans84.31.117900000115.1Q79 F83 I246 S247Q79-G81 PolarHBondContact O-N 3.17Å; Q79-G81 VanDerWaalsContact O-N 3.1Å; G81-F83 VanDerWaalsContact CA-CE2 3.5Å; G81-I246 CarbonylContact O-C 3.52Å; G81-I246 WeakPolarHBondContact O-CA 3.28Å; G81-S247 PolarHBondContact O-N 3.29Å
82V97.6Very high96Very high28 Ų2863.8 Ų63.817%0.1734%0.336CS..EExtended strand (participates in β ladder)trans-116.6115.2177-175.60000108.5G78 Q79 A80 L227 F228 V250G78-V82 CarbonylContact C-O 3.46Å; G78-V82 WeakPolarHBondContact CA-O 3.35Å; Q79-V82 PolarHBondContact N-O 3.14Å; Q79-V82 PolarHBondContact O-N 3.42Å; Q79-V82 VanDerWaalsContact O-O 3.07Å; A80-V82 VanDerWaalsContact C-N 3.32Å; A80-V82 PolarHBondContact O-N 3.14Å; V82-L227 HydrophobicContact CG1-CB 4.02Å; V82-L227 HydrophobicContact CG1-CD1 4.33Å; V82-L227 HydrophobicContact CG2-CD1 3.97Å; V82-L227 HydrophobicContact CG2-CD2 4.14Å; V82-F228 HydrophobicContact CG1-CE1 3.75Å; V82-F228 HydrophobicContact CG1-CE2 4.05Å; V82-F228 HydrophobicContact CG1-CZ 3.44Å; V82-F228 VanDerWaalsContact CG1-CZ 3.44Å; V82-V250 HydrophobicContact CG2-CG1 4.1Å; V82-V250 HydrophobicContact CG2-CG2 4.01Å
83F97.2Very high96Very high8 Ų864.2 Ų64.24%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-138.8150-175.2-44.6-84000113.1V76 S77 G81 W123 R126 L127 L245V76-F83 HydrophobicContact CG1-CB 3.42Å; V76-F83 VanDerWaalsContact CG1-CB 3.42Å; V76-F83 HydrophobicContact CG1-CD1 4.05Å; V76-F83 HydrophobicContact CG1-CG 3.91Å; S77-F83 CarbonylContact O-C 3.58Å; S77-F83 WeakPolarHBondContact O-CA 3.4Å; S77-F83 WeakPolarHBondContact O-CB 3.15Å; G81-F83 VanDerWaalsContact CA-CE2 3.5Å; F83-W123 HydrophobicContact CD2-CZ3 4.18Å; F83-W123 AromaticContact CE2-CE3 3.99Å; F83-W123 HydrophobicContact CE2-CE3 3.99Å; F83-W123 HydrophobicContact CE2-CZ3 4.08Å; F83-R126 HydrophobicContact CE2-CB 4.44Å; F83-L127 HydrophobicContact CD1-CD2 3.69Å; F83-L127 HydrophobicContact CD1-CG 4.09Å; F83-L127 HydrophobicContact CE1-CD1 3.94Å; F83-L127 HydrophobicContact CE1-CD2 3.8Å; F83-L127 HydrophobicContact CE1-CG 3.66Å; F83-L245 HydrophobicContact CB-CB 4.06Å; F83-L245 HydrophobicContact CB-CD1 4.28Å; F83-L245 HydrophobicContact CD2-CB 4.31Å; F83-L245 PolarHBondContact N-O 3.37Å; F83-L245 PolarHBondContact O-N 2.95Å
84T96.5Very high96Very high19 Ų1964.6 Ų64.612%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-109.4127.7166.7-51.90000108.7V76 S77 Y86 F228 V243V76-T84 WeakPolarHBondContact CA-O 3.43Å; S77-T84 PolarHBondContact N-O 3.4Å; S77-T84 PolarHBondContact O-N 2.72Å; T84-Y86 HydrophobicContact CG2-CE1 4.08Å; T84-Y86 HydrophobicContact CG2-CE2 3.86Å; T84-F228 WeakPolarHBondContact OG1-CE1 3.28Å; T84-V243 CarbonylContact C-O 3.53Å; T84-V243 WeakPolarHBondContact CA-O 3.23Å; T84-V243 HydrophobicContact CG2-CB 4.17Å; T84-V243 HydrophobicContact CG2-CG2 4.22Å
85Q95.1Very high96Very high3 Ų364.5 Ų64.51%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-100143.2174.168.7171.622.100111.6V75 V76 H87 K242 V243 L245V75-Q85 CarbonylContact O-C 3.53Å; V75-Q85 WeakPolarHBondContact O-CA 3.46Å; V76-Q85 HydrophobicContact CG2-CB 3.8Å; Q85-H87 PolarHBondContact NE2-NE2 3.34Å; Q85-K242 PolarHBondContact NE2-O 2.88Å; Q85-V243 HydrophobicContact CG-CB 4.37Å; Q85-V243 WeakPolarHBondContact CG-O 3.48Å; Q85-V243 PolarHBondContact N-O 3.37Å; Q85-V243 WeakPolarHBondContact O-CB 3.27Å; Q85-V243 WeakPolarHBondContact O-CG1 3.29Å; Q85-L245 HydrophobicContact CB-CD1 4.36Å
86Y93.4Very high96.1Very high132 Ų13262.2 Ų62.252%0.51833%0.331SS..EExtended strand (participates in β ladder)trans-126.9146.4175.4-56.4-85.8000109.4V75 T84V75-Y86 PolarHBondContact N-O 3.09Å; V75-Y86 PolarHBondContact O-N 3.35Å; T84-Y86 HydrophobicContact CG2-CE1 4.08Å; T84-Y86 HydrophobicContact CG2-CE2 3.86Å
87H94.9Very high96.2Very high84 Ų8466.4 Ų66.439%0.38935%0.349SS..EExtended strand (participates in β ladder)trans-105.4114.4-177.2-59.7154.8000110.9L72 Q85L72-H87 HydrophobicContact CB-CB 4.21Å; L72-H87 HydrophobicContact CD1-CB 4.33Å; L72-H87 HydrophobicContact CD2-CB 4.32Å; Q85-H87 PolarHBondContact NE2-NE2 3.34Å
88K96.3Very high96.3Very high130 Ų13064 Ų6457%0.56533%0.332SS*.EExtended strand (participates in β ladder)trans-96.1114171-179174.6-176171.70109.3Q73Q73-K88 HydrophobicContact CB-CB 4.27Å; Q73-K88 WeakPolarHBondContact CB-O 3.29Å; Q73-K88 PolarHBondContact N-O 3.08Å; Q73-K88 PolarHBondContact O-N 3.32Å
89K96.8Very high96.6Very high159 Ų15966.9 Ų66.969%0.69133%0.331SS*.EExtended strand (participates in β ladder)trans-58.7137.1176.7-64.5-177.1176.9-177.70110.9T70 L72T70-K89 HydrophobicContact CG2-CB 3.9Å; T70-K89 HydrophobicContact CG2-CD 3.73Å; T70-K89 HydrophobicContact CG2-CG 3.65Å; L72-K89 HydrophobicContact CD2-CG 4.05Å
90K97.7Very high96.8Very high80 Ų8066.4 Ų66.435%0.34833%0.328SS..  trans-112.7164.3174.5-57.4-63.1-70.3-171.20109.8P71 Q73 I132P71-K90 HydrophobicContact CB-CB 4.27Å; P71-K90 WeakPolarHBondContact O-CB 3.35Å; P71-K90 PolarHBondContact O-N 2.8Å; Q73-K90 HydrophobicContact CB-CD 3.9Å; Q73-K90 HydrophobicContact CB-CG 3.92Å; K90-I132 HydrophobicContact CG-CD1 4.46Å; K90-I132 HydrophobicContact CG-CG1 4.39Å; K90-I132 HydrophobicContact CG-CG2 4.48Å
91K97.6Very high97.2Very high186 Ų18664.4 Ų64.481%0.80931%0.305SS*.  trans-60.9141.5172.3-172.1179.7176.4-174.90109.1
92G97.9Very high97.4Very high31 Ų3164 Ų6432%0.3230%0.3SS..  trans-55.8146.4174.700000112.1I68 A69I68-G92 WeakPolarHBondContact O-CA 3.41Å; A69-G92 WeakPolarHBondContact O-CA 3.34Å
93M98.4Very high97.4Very high32 Ų3267 Ų6716%0.15832%0.316CS..EExtended strand (participates in β ladder)trans-148.6157.8179.963.8-173.760.200109.8I68 P71 E97 Y98 L101I68-M93 WeakPolarHBondContact CA-O 3.18Å; I68-M93 WeakPolarHBondContact CB-O 3.42Å; I68-M93 PolarHBondContact N-O 2.94Å; I68-M93 PolarHBondContact O-N 3.31Å; P71-M93 HydrophobicContact CG-CE 4.12Å; P71-M93 HydrophobicContact CG-CG 3.85Å; P71-M93 HydrophobicContact CG-SD 4.23Å; M93-E97 WeakPolarHBondContact CA-OE2 3.33Å; M93-E97 HydrophobicContact CB-CB 4.22Å; M93-Y98 HydrophobicContact SD-CD2 3.83Å; M93-Y98 HydrophobicContact SD-CG 4.4Å; M93-L101 HydrophobicContact CE-CD2 4.34Å; M93-L101 HydrophobicContact SD-CD2 4.26Å
94T98.5Very high97.5Very high41 Ų4168.5 Ų68.525%0.25233%0.327SS..EExtended strand (participates in β ladder)trans-76.3160.217463.40000111.3S64 I66 G96 E97 Y98S64-T94 WeakPolarHBondContact O-CB 3.5Å; I66-T94 CarbonylContact O-C 3.5Å; I66-T94 VanDerWaalsContact O-CA 3.28Å; I66-T94 WeakPolarHBondContact O-CA 3.46Å; T94-G96 PolarHBondContact O-N 2.81Å; T94-E97 PolarHBondContact N-OE2 2.96Å; T94-E97 PolarHBondContact O-N 3.05Å; T94-E97 VanDerWaalsContact OG1-CG 3.3Å; T94-E97 WeakPolarHBondContact OG1-CG 3.13Å; T94-E97 PolarHBondContact OG1-N 3.27Å; T94-E97 PolarHBondContact OG1-OE2 2.81Å; T94-Y98 WeakPolarHBondContact O-CB 3.27Å; T94-Y98 PolarHBondContact O-N 3.1Å
95V98.4Very high97.5Very high1 Ų176.8 Ų76.81%0.00636%0.361CS..Hα-helixtrans-60.1-33.4172.71720000111.6I63 S64 I66 I68 Y98 R99 F179 F284I63-V95 HydrophobicContact CD1-CG1 4.36Å; I63-V95 HydrophobicContact CG1-CG1 4.17Å; I63-V95 WeakPolarHBondContact O-CB 3.34Å; S64-V95 PolarHBondContact O-N 3.38Å; I66-V95 HydrophobicContact CB-CG2 3.77Å; I66-V95 HydrophobicContact CG2-CG2 4.09Å; I66-V95 PolarHBondContact O-N 3.4Å; I68-V95 HydrophobicContact CD1-CG2 4.26Å; I68-V95 HydrophobicContact CG1-CG2 4.18Å; V95-Y98 PolarHBondContact O-N 3.31Å; V95-R99 WeakPolarHBondContact O-CB 3.5Å; V95-R99 PolarHBondContact O-N 2.77Å; V95-F179 HydrophobicContact CB-CE1 4.31Å; V95-F179 HydrophobicContact CG1-CD1 4.03Å; V95-F179 HydrophobicContact CG1-CE1 3.8Å; V95-F179 HydrophobicContact CG2-CD1 3.91Å; V95-F179 HydrophobicContact CG2-CD2 4.21Å; V95-F179 HydrophobicContact CG2-CE1 3.44Å; V95-F179 VanDerWaalsContact CG2-CE1 3.44Å; V95-F179 HydrophobicContact CG2-CE2 3.79Å; V95-F179 HydrophobicContact CG2-CG 4.27Å; V95-F179 HydrophobicContact CG2-CZ 3.38Å; V95-F284 HydrophobicContact CG1-CZ 4.3Å
96G98.3Very high97.6Very high11 Ų1182.3 Ų82.311%0.11339%0.386CS..Hα-helixtrans-59.4-53.717400000112.3S64 T94 Y98 R99 E100S64-G96 PolarHBondContact O-N 3.18Å; T94-G96 PolarHBondContact O-N 2.81Å; G96-Y98 VanDerWaalsContact C-N 3.32Å; G96-Y98 PolarHBondContact O-N 3.35Å; G96-R99 WeakPolarHBondContact O-CB 3.46Å; G96-R99 PolarHBondContact O-N 3.27Å; G96-E100 PolarHBondContact O-N 3.09Å; G96-E100 VanDerWaalsContact O-N 3.14Å
97E98.6Very high97.8Very high104 Ų10477 Ų7749%0.48637%0.365SS..Hα-helixtrans-61-40.9176.1-69.6164.9135.900111.6M93 T94 R99 E100 L101M93-E97 WeakPolarHBondContact CA-OE2 3.33Å; M93-E97 HydrophobicContact CB-CB 4.22Å; T94-E97 PolarHBondContact N-OE2 2.96Å; T94-E97 PolarHBondContact O-N 3.05Å; T94-E97 VanDerWaalsContact OG1-CG 3.3Å; T94-E97 WeakPolarHBondContact OG1-CG 3.13Å; T94-E97 PolarHBondContact OG1-N 3.27Å; T94-E97 PolarHBondContact OG1-OE2 2.81Å; E97-R99 VanDerWaalsContact C-N 3.35Å; E97-R99 PolarHBondContact O-N 2.94Å; E97-E100 PolarHBondContact O-N 3.43Å; E97-L101 WeakPolarHBondContact O-CB 3.43Å; E97-L101 PolarHBondContact O-N 3.29Å
98Y98.6Very high97.9Very high0 Ų077.6 Ų77.60%037%0.368CS..Hα-helixtrans-63.2-39.8177.6-177.3-86.7000112.2I68 M93 T94 V95 G96 L101 A102 I132 F179 G180 M181 F284I68-Y98 HydrophobicContact CD1-CD1 4.36Å; I68-Y98 HydrophobicContact CD1-CD2 3.83Å; I68-Y98 HydrophobicContact CD1-CG 3.71Å; M93-Y98 HydrophobicContact SD-CD2 3.83Å; M93-Y98 HydrophobicContact SD-CG 4.4Å; T94-Y98 WeakPolarHBondContact O-CB 3.27Å; T94-Y98 PolarHBondContact O-N 3.1Å; V95-Y98 PolarHBondContact O-N 3.31Å; G96-Y98 VanDerWaalsContact C-N 3.32Å; G96-Y98 PolarHBondContact O-N 3.35Å; Y98-L101 WeakPolarHBondContact O-CB 3.47Å; Y98-L101 PolarHBondContact O-N 2.65Å; Y98-A102 HydrophobicContact CE1-CB 4.46Å; Y98-A102 VanDerWaalsContact O-CB 3.31Å; Y98-A102 WeakPolarHBondContact O-CB 3.45Å; Y98-A102 PolarHBondContact O-N 3.26Å; Y98-I132 HydrophobicContact CE2-CG2 4.21Å; Y98-I132 PolarHBondContact OH-O 2.86Å; Y98-F179 HydrophobicContact CD1-CB 4.1Å; Y98-F179 HydrophobicContact CE1-CB 3.83Å; Y98-F179 VanDerWaalsContact CZ-O 3.26Å; Y98-F179 PolarHBondContact OH-O 2.86Å; Y98-G180 WeakPolarHBondContact CE1-O 3.48Å; Y98-M181 HydrophobicContact CD2-CE 4.14Å; Y98-M181 HydrophobicContact CE1-CE 4.18Å; Y98-M181 HydrophobicContact CE2-CE 3.46Å; Y98-M181 VanDerWaalsContact CE2-CE 3.46Å; Y98-M181 VanDerWaalsContact CZ-CE 3.48Å; Y98-M181 PolarHBondContact OH-N 3.45Å; Y98-F284 AromaticContact CD1-CD2 3.98Å; Y98-F284 HydrophobicContact CD1-CD2 3.98Å; Y98-F284 AromaticContact CD1-CE2 3.82Å; Y98-F284 HydrophobicContact CD1-CE2 3.82Å; Y98-F284 AromaticContact CE1-CD2 3.99Å; Y98-F284 HydrophobicContact CE1-CD2 3.99Å; Y98-F284 HydrophobicContact CE1-CE2 4.17Å
99R98.5Very high98Very high102 Ų10273.1 Ų73.139%0.38535%0.351SS..Hα-helixtrans-63.6-44.6176.2178.7175.263.6-165.5-4.3111.7V95 G96 E97 L101 A102 N103 F284V95-R99 WeakPolarHBondContact O-CB 3.5Å; V95-R99 PolarHBondContact O-N 2.77Å; G96-R99 WeakPolarHBondContact O-CB 3.46Å; G96-R99 PolarHBondContact O-N 3.27Å; E97-R99 VanDerWaalsContact C-N 3.35Å; E97-R99 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact C-N 3.31Å; R99-L101 PolarHBondContact O-N 2.9Å; R99-A102 PolarHBondContact O-N 3.09Å; R99-N103 WeakPolarHBondContact O-CB 3.46Å; R99-N103 PolarHBondContact O-N 2.92Å; R99-N103 PolarHBondContact O-ND2 3.5Å; R99-F284 HydrophobicContact CB-CD1 4.37Å; R99-F284 HydrophobicContact CB-CD2 4.21Å; R99-F284 HydrophobicContact CB-CE1 3.97Å; R99-F284 HydrophobicContact CB-CE2 3.82Å; R99-F284 HydrophobicContact CB-CG 4.47Å; R99-F284 HydrophobicContact CB-CZ 3.68Å; R99-F284 VanDerWaalsContact CD-CE1 3.49Å; R99-F284 HydrophobicContact CG-CD1 3.75Å; R99-F284 HydrophobicContact CG-CD2 4.4Å; R99-F284 HydrophobicContact CG-CE1 3.58Å; R99-F284 HydrophobicContact CG-CE2 4.27Å; R99-F284 HydrophobicContact CG-CG 4.16Å; R99-F284 HydrophobicContact CG-CZ 3.86Å
100E98.4Very high98Very high142 Ų14267.3 Ų67.366%0.66433%0.33SS*.Hα-helixtrans-60.7-43.2175.6-70178.4178.100111.2G96 E97 N103 S104G96-E100 PolarHBondContact O-N 3.09Å; G96-E100 VanDerWaalsContact O-N 3.14Å; E97-E100 PolarHBondContact O-N 3.43Å; E100-N103 PolarHBondContact O-N 3.42Å; E100-S104 PolarHBondContact O-N 2.94Å
101L98.4Very high98Very high48 Ų4869.1 Ų69.125%0.25135%0.35SS..Hα-helixtrans-61.5-48.5175.6-17764.1000112.1M93 E97 Y98 R99 N103 S104 Y107 I132 M181M93-L101 HydrophobicContact CE-CD2 4.34Å; M93-L101 HydrophobicContact SD-CD2 4.26Å; E97-L101 WeakPolarHBondContact O-CB 3.43Å; E97-L101 PolarHBondContact O-N 3.29Å; Y98-L101 WeakPolarHBondContact O-CB 3.47Å; Y98-L101 PolarHBondContact O-N 2.65Å; R99-L101 VanDerWaalsContact C-N 3.31Å; R99-L101 PolarHBondContact O-N 2.9Å; L101-N103 VanDerWaalsContact C-N 3.26Å; L101-N103 PolarHBondContact O-N 2.9Å; L101-S104 VanDerWaalsContact O-CB 3.29Å; L101-S104 WeakPolarHBondContact O-CB 3.3Å; L101-S104 PolarHBondContact O-N 3.46Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.45Å; L101-Y107 HydrophobicContact CD1-CD2 3.74Å; L101-Y107 HydrophobicContact CD1-CE2 3.59Å; L101-Y107 HydrophobicContact CG-CD2 3.99Å; L101-Y107 HydrophobicContact CG-CE2 4.1Å; L101-I132 HydrophobicContact CD2-CD1 3.82Å; L101-M181 HydrophobicContact CD2-CE 4.2Å; L101-M181 HydrophobicContact CG-CE 4.29Å
102A98.4Very high98.1Very high2 Ų263.6 Ų63.62%0.01733%0.326CS..Hα-helixtrans-61.5-33.2-179.800000112.7Y98 R99 Y107 Q108 M181 F284Y98-A102 HydrophobicContact CE1-CB 4.46Å; Y98-A102 VanDerWaalsContact O-CB 3.31Å; Y98-A102 WeakPolarHBondContact O-CB 3.45Å; Y98-A102 PolarHBondContact O-N 3.26Å; R99-A102 PolarHBondContact O-N 3.09Å; A102-Y107 CarbonylContact O-C 3.45Å; A102-Y107 VanDerWaalsContact O-C 3.27Å; A102-Q108 WeakPolarHBondContact O-CA 3.44Å; A102-Q108 PolarHBondContact O-N 3.11Å; A102-M181 HydrophobicContact CB-CB 3.59Å; A102-M181 HydrophobicContact CB-CE 4.15Å; A102-F284 HydrophobicContact CB-CB 3.91Å; A102-F284 HydrophobicContact CB-CD2 4.1Å; A102-F284 HydrophobicContact CB-CG 4.37Å
103N98.3Very high98Very high93 Ų9369.5 Ų69.550%0.49735%0.35SS..THydrogen-bonded Turntrans-92-0.2178.8-66.4-27.6000113.6R99 E100 L101R99-N103 WeakPolarHBondContact O-CB 3.46Å; R99-N103 PolarHBondContact O-N 2.92Å; R99-N103 PolarHBondContact O-ND2 3.5Å; E100-N103 PolarHBondContact O-N 3.42Å; L101-N103 VanDerWaalsContact C-N 3.26Å; L101-N103 PolarHBondContact O-N 2.9Å
104S98.3Very high98Very high39 Ų3971.6 Ų71.627%0.27336%0.362SS..SBendtrans-66154.9175.772.60000111.2E100 L101 K106 Y107 Q108E100-S104 PolarHBondContact O-N 2.94Å; L101-S104 VanDerWaalsContact O-CB 3.29Å; L101-S104 WeakPolarHBondContact O-CB 3.3Å; L101-S104 PolarHBondContact O-N 3.46Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.45Å; S104-K106 PolarHBondContact O-N 3.23Å; S104-Y107 PolarHBondContact O-N 3.31Å; S104-Q108 WeakPolarHBondContact O-CB 3.32Å; S104-Q108 PolarHBondContact O-N 3.48Å
105K96.8Very high98Very high192 Ų19273.4 Ų73.484%0.83537%0.366SS*.THydrogen-bonded Turntrans-51.1-27.6177.8-68.9-176179.6179.70114.1
106K96.3Very high97.9Very high120 Ų12077.7 Ų77.752%0.52239%0.386SS..THydrogen-bonded Turntrans-76-34.8179.9-179.4172.4-179.9170.70113.7S104S104-K106 PolarHBondContact O-N 3.23Å
107Y97.5Very high97.9Very high20 Ų2078.2 Ų78.28%0.07839%0.387CS..THydrogen-bonded Turntrans-120.1-3.9-172.7-62.7-70.9000113.8L101 A102 S104 M181 W182L101-Y107 HydrophobicContact CD1-CD2 3.74Å; L101-Y107 HydrophobicContact CD1-CE2 3.59Å; L101-Y107 HydrophobicContact CG-CD2 3.99Å; L101-Y107 HydrophobicContact CG-CE2 4.1Å; A102-Y107 CarbonylContact O-C 3.45Å; A102-Y107 VanDerWaalsContact O-C 3.27Å; S104-Y107 PolarHBondContact O-N 3.31Å; Y107-M181 HydrophobicContact CD1-SD 3.92Å; Y107-M181 HydrophobicContact CG-SD 3.9Å; Y107-W182 WeakPolarHBondContact O-CB 3.4Å
108Q97.4Very high97.9Very high97 Ų9773.3 Ų73.345%0.45336%0.363SS..SBendtrans-61.4151.3177.766.6179.6-5.500111.5A102 S104A102-Q108 WeakPolarHBondContact O-CA 3.44Å; A102-Q108 PolarHBondContact O-N 3.11Å; S104-Q108 WeakPolarHBondContact O-CB 3.32Å; S104-Q108 PolarHBondContact O-N 3.48Å
109T98.4Very high97.9Very high36 Ų3674.2 Ų74.222%0.22137%0.368CS..PPolyproline II helixtrans-58.9132.3173.3-47.20000110.1L118 W182 H282 G283T109-L118 HydrophobicContact CG2-CD1 3.88Å; T109-L118 HydrophobicContact CG2-CD2 4.23Å; T109-W182 HydrophobicContact CG2-CD2 4.47Å; T109-W182 HydrophobicContact CG2-CE3 4.28Å; T109-H282 WeakPolarHBondContact CB-O 3.34Å; T109-H282 WeakPolarHBondContact CG2-O 3.13Å; T109-H282 PolarHBondContact OG1-O 3.3Å; T109-G283 WeakPolarHBondContact OG1-CA 3.34Å
110P97.9Very high97.9Very high37 Ų3775.7 Ų75.724%0.2437%0.373CS..PPolyproline II helixtrans-68.8152.7177.429.1-35.6000110.1H112 L118 K121 W182P110-H112 PolarHBondContact O-N 2.89Å; P110-H112 PolarHBondContact O-ND1 2.96Å; P110-L118 HydrophobicContact CG-CD1 4.01Å; P110-K121 HydrophobicContact CG-CD 4.32Å; P110-W182 VanDerWaalsContact CD-NE1 3.3Å; P110-W182 HydrophobicContact CG-CH2 4.49Å; P110-W182 HydrophobicContact CG-CZ2 3.77Å
111P97.9Very high97.8Very high118 Ų11871.4 Ų71.477%0.76635%0.353SS*.PPolyproline II helixtrans-53.2136.2167.7-23.533.3000110.1K121P111-K121 PolarHBondContact O-NZ 3.49Å
112H98.1Very high97.8Very high69 Ų6969.2 Ų69.232%0.31934%0.341SS..  trans-151.9156.1-178.156.8-80.2000110.3P110 D114 D117 L118 K121P110-H112 PolarHBondContact O-N 2.89Å; P110-H112 PolarHBondContact O-ND1 2.96Å; H112-D114 PolarHBondContact CD2-O 3.12Å; H112-D117 WeakPolarHBondContact CA-OD2 3.47Å; H112-D117 HydrophobicContact CB-CB 4.49Å; H112-L118 HydrophobicContact CB-CB 4.18Å; H112-L118 HydrophobicContact CB-CD1 4.15Å; H112-K121 HydrophobicContact CB-CD 4.43Å
113L97.3Very high97.8Very high155 Ų15571.1 Ų71.181%0.81235%0.348SS*.SBendtrans-82.5-45.4-177.7-62175.7000112D117L113-D117 HydrophobicContact CB-CB 4.3Å; L113-D117 PolarHBondContact N-OD2 2.89Å; L113-D117 VanDerWaalsContact N-OD2 3.16Å
114D98Very high97.7Very high76 Ų7674.8 Ų74.841%0.40636%0.359SS..SBendtrans-154.5-178.6-176.45736.3000110H112 E116 D117 L118H112-D114 PolarHBondContact CD2-O 3.12Å; D114-E116 VanDerWaalsContact C-N 3.26Å; D114-E116 PolarHBondContact O-N 3.25Å; D114-E116 WeakPolarHBondContact OD1-CA 3.4Å; D114-E116 WeakPolarHBondContact OD1-CB 3.41Å; D114-E116 PolarHBondContact OD1-N 3.21Å; D114-D117 PolarHBondContact O-N 3.31Å; D114-D117 WeakPolarHBondContact OD1-CB 3.26Å; D114-D117 PolarHBondContact OD1-N 3.48Å; D114-L118 PolarHBondContact O-N 3.35Å
115F97.4Very high97.4Very high80 Ų8075.9 Ų75.935%0.35136%0.362SS..Hα-helixtrans-64.8-28.3179.4-61.8-31.1000113.4E119 P206 T262 H282F115-E119 WeakPolarHBondContact O-CB 3.33Å; F115-E119 PolarHBondContact O-N 3.32Å; F115-P206 HydrophobicContact CE1-CG 4.15Å; F115-P206 HydrophobicContact CZ-CG 4.18Å; F115-T262 HydrophobicContact CD2-CG2 4.09Å; F115-T262 HydrophobicContact CE2-CG2 3.94Å; F115-T262 HydrophobicContact CG-CG2 4.46Å; F115-T262 HydrophobicContact CZ-CG2 4.17Å; F115-H282 AromaticContact CD1-CE1 3.59Å; F115-H282 AromaticContact CD1-ND1 3.83Å; F115-H282 AromaticContact CE1-ND1 3.94Å
116E97.3Very high97.2Very high91 Ų9166.8 Ų66.843%0.42532%0.322SS..Hα-helixtrans-73.6-39178.2-55.4-158142.700111.2D114 L118 E119 R120 R260D114-E116 VanDerWaalsContact C-N 3.26Å; D114-E116 PolarHBondContact O-N 3.25Å; D114-E116 WeakPolarHBondContact OD1-CA 3.4Å; D114-E116 WeakPolarHBondContact OD1-CB 3.41Å; D114-E116 PolarHBondContact OD1-N 3.21Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-E119 PolarHBondContact O-N 2.94Å; E116-R120 WeakPolarHBondContact O-CG 3.24Å; E116-R120 PolarHBondContact O-N 2.9Å; E116-R260 IonicContact OE1-CZ 2.89Å; E116-R260 IonicContact OE1-NH1 3.68Å; E116-R260 IonicContact OE1-NH2 3.14Å; E116-R260 PolarHBondContact OE1-NH2 3Å
117D98.4Very high96.9Very high22 Ų2264.5 Ų64.512%0.11832%0.316CS..Hα-helixtrans-62.9-42172.6-171.346.1000111.9H112 L113 D114 R120 K121H112-D117 WeakPolarHBondContact CA-OD2 3.47Å; H112-D117 HydrophobicContact CB-CB 4.49Å; L113-D117 HydrophobicContact CB-CB 4.3Å; L113-D117 PolarHBondContact N-OD2 2.89Å; L113-D117 VanDerWaalsContact N-OD2 3.16Å; D114-D117 PolarHBondContact O-N 3.31Å; D114-D117 WeakPolarHBondContact OD1-CB 3.26Å; D114-D117 PolarHBondContact OD1-N 3.48Å; D117-R120 VanDerWaalsContact CB-NH2 3.31Å; D117-R120 PolarHBondContact O-N 3.35Å; D117-R120 IonicContact OD1-CZ 2.84Å; D117-R120 IonicContact OD1-NE 3.49Å; D117-R120 IonicContact OD1-NH2 3.39Å; D117-R120 PolarHBondContact OD1-NH2 3.41Å; D117-R120 VanDerWaalsContact OD1-NH2 3.13Å; D117-K121 WeakPolarHBondContact O-CG 3.38Å; D117-K121 PolarHBondContact O-N 2.97Å; D117-K121 IonicContact OD1-NZ 3.11Å; D117-K121 WeakPolarHBondContact OD2-CE 3.49Å; D117-K121 IonicContact OD2-NZ 3.86Å; D117-K121 PolarHBondContact OD2-NZ 3.15Å
118L98.4Very high96.5Very high0 Ų071.1 Ų71.10%034%0.341CS..Hα-helixtrans-65.7-40.8175.9-167.862.9000112.1T109 P110 H112 D114 E116 K121 Y122 W182 H282T109-L118 HydrophobicContact CG2-CD1 3.88Å; T109-L118 HydrophobicContact CG2-CD2 4.23Å; P110-L118 HydrophobicContact CG-CD1 4.01Å; H112-L118 HydrophobicContact CB-CB 4.18Å; H112-L118 HydrophobicContact CB-CD1 4.15Å; D114-L118 PolarHBondContact O-N 3.35Å; E116-L118 VanDerWaalsContact C-N 3.34Å; L118-K121 WeakPolarHBondContact O-CB 3.17Å; L118-K121 PolarHBondContact O-N 2.85Å; L118-Y122 PolarHBondContact O-N 3.11Å; L118-W182 HydrophobicContact CD1-CE3 4.13Å; L118-W182 HydrophobicContact CD1-CH2 3.3Å; L118-W182 HydrophobicContact CD1-CZ2 4.02Å; L118-W182 HydrophobicContact CD1-CZ3 3.38Å; L118-W182 HydrophobicContact CD2-CZ3 3.88Å; L118-W182 HydrophobicContact CG-CE3 4.47Å; L118-W182 HydrophobicContact CG-CH2 3.68Å; L118-W182 HydrophobicContact CG-CZ3 3.49Å; L118-W182 VanDerWaalsContact CG-CZ3 3.49Å; L118-H282 HydrophobicContact CD2-CB 3.82Å; L118-H282 WeakPolarHBondContact CD2-ND1 3.38Å
119E98.5Very high96.1Very high20 Ų2071.6 Ų71.69%0.09334%0.344CS..Hα-helixtrans-61.8-45174.2178.4-175.8-128.200112.1F115 E116 K121 Y122 W123 Y210 R260 F280F115-E119 WeakPolarHBondContact O-CB 3.33Å; F115-E119 PolarHBondContact O-N 3.32Å; E116-E119 PolarHBondContact O-N 2.94Å; E119-K121 VanDerWaalsContact C-N 3.29Å; E119-K121 PolarHBondContact O-N 2.81Å; E119-Y122 WeakPolarHBondContact O-CB 3.17Å; E119-Y122 PolarHBondContact O-N 3.39Å; E119-Y122 VanDerWaalsContact O-N 3.17Å; E119-W123 PolarHBondContact O-N 2.84Å; E119-Y210 VanDerWaalsContact CD-OH 3.3Å; E119-Y210 WeakPolarHBondContact CG-OH 3.47Å; E119-Y210 WeakPolarHBondContact OE1-CE1 3.39Å; E119-Y210 PolarHBondContact OE1-OH 3.2Å; E119-R260 WeakPolarHBondContact OE1-CD 3.31Å; E119-R260 IonicContact OE1-NH1 3.2Å; E119-R260 IonicContact OE2-CZ 2.67Å; E119-R260 IonicContact OE2-NH1 3.2Å; E119-R260 PolarHBondContact OE2-NH1 3.44Å; E119-F280 HydrophobicContact CB-CZ 4.14Å; E119-F280 HydrophobicContact CG-CE1 4.36Å; E119-F280 HydrophobicContact CG-CZ 4.42Å
120R97.9Very high96Very high132 Ų13271.3 Ų71.350%0.49834%0.343SS..Hα-helixtrans-57.8-43.9174.3-73.8-172.9-57.5-93.73.2111E116 D117 K124E116-R120 WeakPolarHBondContact O-CG 3.24Å; E116-R120 PolarHBondContact O-N 2.9Å; D117-R120 VanDerWaalsContact CB-NH2 3.31Å; D117-R120 PolarHBondContact O-N 3.35Å; D117-R120 IonicContact OD1-CZ 2.84Å; D117-R120 IonicContact OD1-NE 3.49Å; D117-R120 IonicContact OD1-NH2 3.39Å; D117-R120 PolarHBondContact OD1-NH2 3.41Å; D117-R120 VanDerWaalsContact OD1-NH2 3.13Å; R120-K124 WeakPolarHBondContact O-CB 3.29Å; R120-K124 PolarHBondContact O-N 3.35Å
121K98Very high96Very high53 Ų5369.7 Ų69.723%0.2333%0.333CS..Hα-helixtrans-63.6-40.3176.1-75.5166.4177.3163.20112.2P110 P111 H112 D117 L118 E119 N125P110-K121 HydrophobicContact CG-CD 4.32Å; P111-K121 PolarHBondContact O-NZ 3.49Å; H112-K121 HydrophobicContact CB-CD 4.43Å; D117-K121 WeakPolarHBondContact O-CG 3.38Å; D117-K121 PolarHBondContact O-N 2.97Å; D117-K121 IonicContact OD1-NZ 3.11Å; D117-K121 WeakPolarHBondContact OD2-CE 3.49Å; D117-K121 IonicContact OD2-NZ 3.86Å; D117-K121 PolarHBondContact OD2-NZ 3.15Å; L118-K121 WeakPolarHBondContact O-CB 3.17Å; L118-K121 PolarHBondContact O-N 2.85Å; E119-K121 VanDerWaalsContact C-N 3.29Å; E119-K121 PolarHBondContact O-N 2.81Å; K121-N125 VanDerWaalsContact O-CB 3.29Å; K121-N125 WeakPolarHBondContact O-CB 3.43Å; K121-N125 PolarHBondContact O-N 2.97Å; K121-N125 PolarHBondContact O-ND2 3.34Å
122Y98.1Very high96Very high2 Ų264.4 Ų64.41%0.00830%0.298CS..Hα-helixtrans-58-55.5176.4169.5-95.2000111L118 E119 N125 R126 K183 T185 F280L118-Y122 PolarHBondContact O-N 3.11Å; E119-Y122 WeakPolarHBondContact O-CB 3.17Å; E119-Y122 PolarHBondContact O-N 3.39Å; E119-Y122 VanDerWaalsContact O-N 3.17Å; Y122-N125 PolarHBondContact O-N 3.37Å; Y122-R126 WeakPolarHBondContact O-CA 3.13Å; Y122-R126 WeakPolarHBondContact O-CB 3.28Å; Y122-R126 PolarHBondContact O-N 2.98Å; Y122-K183 HydrophobicContact CD2-CB 4.29Å; Y122-K183 HydrophobicContact CD2-CG 4.21Å; Y122-K183 HydrophobicContact CE2-CB 4.31Å; Y122-T185 WeakPolarHBondContact OH-CG2 3.32Å; Y122-T185 PolarHBondContact OH-OG1 3.28Å; Y122-F280 AromaticContact CD1-CD1 3.64Å; Y122-F280 HydrophobicContact CD1-CD1 3.64Å; Y122-F280 AromaticContact CD1-CE1 3.88Å; Y122-F280 HydrophobicContact CD1-CE1 3.88Å; Y122-F280 HydrophobicContact CD1-CG 4.04Å; Y122-F280 HydrophobicContact CD1-CZ 4.46Å; Y122-F280 HydrophobicContact CD2-CB 3.76Å; Y122-F280 HydrophobicContact CD2-CD1 4.05Å; Y122-F280 AromaticContact CD2-CD2 3.68Å; Y122-F280 HydrophobicContact CD2-CD2 3.68Å; Y122-F280 HydrophobicContact CD2-CE2 4.31Å; Y122-F280 AromaticContact CD2-CG 3.55Å; Y122-F280 HydrophobicContact CD2-CG 3.55Å; Y122-F280 HydrophobicContact CE1-CB 4.3Å; Y122-F280 AromaticContact CE1-CD1 3.78Å; Y122-F280 HydrophobicContact CE1-CD1 3.78Å; Y122-F280 HydrophobicContact CE1-CE1 4.41Å; Y122-F280 HydrophobicContact CE1-CG 4.15Å; Y122-F280 HydrophobicContact CE2-CB 3.33Å; Y122-F280 HydrophobicContact CE2-CD1 4.15Å; Y122-F280 HydrophobicContact CE2-CD2 4.2Å; Y122-F280 AromaticContact CE2-CG 3.64Å; Y122-F280 HydrophobicContact CE2-CG 3.64Å; Y122-F280 HydrophobicContact CG-CB 4.39Å; Y122-F280 AromaticContact CG-CD1 3.8Å; Y122-F280 HydrophobicContact CG-CD1 3.8Å; Y122-F280 AromaticContact CG-CD2 3.91Å; Y122-F280 HydrophobicContact CG-CD2 3.91Å; Y122-F280 HydrophobicContact CG-CE1 4Å; Y122-F280 HydrophobicContact CG-CE2 4.12Å; Y122-F280 AromaticContact CG-CG 3.76Å; Y122-F280 HydrophobicContact CG-CG 3.76Å; Y122-F280 HydrophobicContact CG-CZ 4.17Å; Y122-F280 AromaticContact CZ-CG 3.95Å
123W97.6Very high96Very high42 Ų4261.8 Ų61.816%0.15929%0.285CS..Hα-helixtrans-69.2-37.5-177.1-72.6111.5000112.7F83 E119 N125 Y210 P248F83-W123 HydrophobicContact CD2-CZ3 4.18Å; F83-W123 AromaticContact CE2-CE3 3.99Å; F83-W123 HydrophobicContact CE2-CE3 3.99Å; F83-W123 HydrophobicContact CE2-CZ3 4.08Å; E119-W123 PolarHBondContact O-N 2.84Å; W123-N125 VanDerWaalsContact C-N 3.35Å; W123-N125 PolarHBondContact O-N 2.5Å; W123-Y210 AromaticContact CZ2-CE2 3.8Å; W123-Y210 HydrophobicContact CZ2-CE2 3.8Å; W123-Y210 AromaticContact NE1-CZ 3.79Å; W123-Y210 PolarHBondContact NE1-OH 3.11Å; W123-P248 VanDerWaalsContact CZ2-CD 3.48Å; W123-P248 HydrophobicContact CZ2-CG 4.47Å; W123-P248 VanDerWaalsContact NE1-CD 3.33Å
124K95.6Very high96Very high169 Ų16954.4 Ų54.474%0.73525%0.247SC*.Hα-helixtrans-63.3-40.5176.3-176.7177.2178.4176.80112.2R120R120-K124 WeakPolarHBondContact O-CB 3.29Å; R120-K124 PolarHBondContact O-N 3.35Å
125N93.3Very high95.8Very high62 Ų6251.5 Ų51.533%0.33223%0.233SC..Hα-helixtrans-106.111.3-171.2-59.9-30.5000113.4K121 Y122 W123 L127 Y128 K183K121-N125 VanDerWaalsContact O-CB 3.29Å; K121-N125 WeakPolarHBondContact O-CB 3.43Å; K121-N125 PolarHBondContact O-N 2.97Å; K121-N125 PolarHBondContact O-ND2 3.34Å; Y122-N125 PolarHBondContact O-N 3.37Å; W123-N125 VanDerWaalsContact C-N 3.35Å; W123-N125 PolarHBondContact O-N 2.5Å; N125-L127 PolarHBondContact O-N 3.49Å; N125-L127 VanDerWaalsContact O-N 3.13Å; N125-Y128 HydrophobicContact CB-CD2 4.32Å; N125-Y128 PolarHBondContact O-N 3.45Å; N125-K183 PolarHBondContact O-NZ 3.07Å
126R91.1Very high95.5Very high1 Ų151.7 Ų51.70%0.00424%0.238CC..THydrogen-bonded Turntrans-56.2-37.9-170-177.858.7-171.1102.8-11.8113.4V76 F83 Y122 K183 T185V76-R126 HydrophobicContact CG1-CG 4.31Å; V76-R126 VanDerWaalsContact CG2-NH1 3.29Å; F83-R126 HydrophobicContact CE2-CB 4.44Å; Y122-R126 WeakPolarHBondContact O-CA 3.13Å; Y122-R126 WeakPolarHBondContact O-CB 3.28Å; Y122-R126 PolarHBondContact O-N 2.98Å; R126-K183 PolarHBondContact O-NZ 3.2Å; R126-T185 PolarHBondContact NE-OG1 3.21Å; R126-T185 PolarHBondContact NH2-OG1 3.29Å
127L89.9Confident95.3Very high72 Ų7248.3 Ų48.338%0.37722%0.223SC..THydrogen-bonded Turntrans-69.9-29.4-179.6-68.6172.2000114.2V76 G78 F83 N125V76-L127 HydrophobicContact CG1-CD2 4.12Å; G78-L127 WeakPolarHBondContact O-CD1 3.31Å; G78-L127 WeakPolarHBondContact O-CD2 3.39Å; F83-L127 HydrophobicContact CD1-CD2 3.69Å; F83-L127 HydrophobicContact CD1-CG 4.09Å; F83-L127 HydrophobicContact CE1-CD1 3.94Å; F83-L127 HydrophobicContact CE1-CD2 3.8Å; F83-L127 HydrophobicContact CE1-CG 3.66Å; N125-L127 PolarHBondContact O-N 3.49Å; N125-L127 VanDerWaalsContact O-N 3.13Å
128Y89.3Confident94.9Very high159 Ų15950.9 Ų50.962%0.62424%0.243SC*.SBendtrans-87.5126.2-175.3-56.8-69.9000110.8N125 K183N125-Y128 HydrophobicContact CB-CD2 4.32Å; N125-Y128 PolarHBondContact O-N 3.45Å; Y128-K183 PolarHBondContact O-NZ 3.41Å
129E89.3Confident94.6Very high108 Ų10852.2 Ų52.251%0.50526%0.257SS..SBendtrans66.9126.9-176.9-46.7177.5147.100113.3P131 K183E129-P131 WeakPolarHBondContact O-CD 3.3Å; E129-K183 PolarHBondContact O-NZ 3.22Å; E129-K183 VanDerWaalsContact O-NZ 3.16Å
130S96.1Very high94.4Very high29 Ų2953.6 Ų53.620%0.20327%0.269CS..  trans-99.7102.8-178.2-53.30000109Q73 Q74Q73-S130 PolarHBondContact NE2-O 2.95Å; Q74-S130 WeakPolarHBondContact O-CA 3.45Å; Q74-S130 WeakPolarHBondContact O-CB 3.45Å
131P97.8Very high94.4Very high4 Ų447.8 Ų47.83%0.02625%0.248CC..  trans-66.8162.1-179.932.8-38.1000110.3Q73 Q74 E129 M181 W182 K183 T184Q73-P131 CarbonylContact C-O 3.53Å; Q73-P131 WeakPolarHBondContact CA-O 3.46Å; Q74-P131 HydrophobicContact CB-CG 4.38Å; Q74-P131 PolarHBondContact N-O 3.19Å; E129-P131 WeakPolarHBondContact O-CD 3.3Å; P131-M181 HydrophobicContact CB-CG 4.19Å; P131-M181 HydrophobicContact CB-SD 4.29Å; P131-W182 WeakPolarHBondContact CB-O 3.36Å; P131-K183 HydrophobicContact CB-CB 4.36Å; P131-K183 HydrophobicContact CG-CB 3.94Å; P131-T184 HydrophobicContact CB-CG2 3.87Å; P131-T184 HydrophobicContact CG-CG2 4.28Å
132I98.5Very high94.2Very high7 Ų746.1 Ų46.14%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-109.2133.9178.2-65160.3000107.8P71 L72 Q73 K90 Y98 L101 M181 T184P71-I132 HydrophobicContact CB-CG2 3.52Å; L72-I132 CarbonylContact O-C 3.58Å; L72-I132 WeakPolarHBondContact O-CA 3.28Å; Q73-I132 HydrophobicContact CB-CG1 3.98Å; Q73-I132 HydrophobicContact CG-CG1 4.15Å; K90-I132 HydrophobicContact CG-CD1 4.46Å; K90-I132 HydrophobicContact CG-CG1 4.39Å; K90-I132 HydrophobicContact CG-CG2 4.48Å; Y98-I132 HydrophobicContact CE2-CG2 4.21Å; Y98-I132 PolarHBondContact OH-O 2.86Å; L101-I132 HydrophobicContact CD2-CD1 3.82Å; I132-M181 HydrophobicContact CB-CE 3.95Å; I132-M181 HydrophobicContact CB-SD 4.38Å; I132-M181 VanDerWaalsContact O-CE 3.28Å; I132-M181 WeakPolarHBondContact O-CE 3.33Å; I132-M181 VanDerWaalsContact O-CG 3.3Å; I132-M181 WeakPolarHBondContact O-CG 3.25Å; I132-T184 WeakPolarHBondContact O-CG2 3.2Å
133Y98.4Very high94Very high14 Ų1448 Ų486%0.05525%0.25CS..EExtended strand (participates in β ladder)trans-118.3125.6-179-162.3-162.6000110.5L72 A135 Y178 F179 T184L72-Y133 PolarHBondContact N-O 3.39Å; L72-Y133 PolarHBondContact O-N 3.17Å; Y133-A135 VanDerWaalsContact C-N 3.3Å; Y133-A135 HydrophobicContact CD1-CB 3.87Å; Y133-A135 HydrophobicContact CE1-CB 4.05Å; Y133-A135 HydrophobicContact CG-CB 4.23Å; Y133-A135 PolarHBondContact O-N 3.27Å; Y133-Y178 HydrophobicContact CE1-CD1 4.47Å; Y133-F179 WeakPolarHBondContact CD2-O 3.46Å; Y133-F179 WeakPolarHBondContact CE2-O 3.38Å; Y133-T184 HydrophobicContact CD2-CG2 3.96Å; Y133-T184 HydrophobicContact CG-CG2 3.99Å
134G97.6Very high93.5Very high0 Ų049.4 Ų49.40%028%0.279CS..EExtended strand (participates in β ladder)trans-87.669171.200000110.6Y178 F179G134-Y178 CarbonylContact O-C 3.55Å; G134-Y178 WeakPolarHBondContact O-CA 3.11Å; G134-F179 PolarHBondContact N-O 2.79Å; G134-F179 PolarHBondContact O-N 2.95Å
135A93.7Very high93.3Very high15 Ų1548.1 Ų48.112%0.12427%0.273CS..EExtended strand (participates in β ladder)trans-88.7161.3-179.800000112Y133 V137 Y178Y133-A135 VanDerWaalsContact C-N 3.3Å; Y133-A135 HydrophobicContact CD1-CB 3.87Å; Y133-A135 HydrophobicContact CE1-CB 4.05Å; Y133-A135 HydrophobicContact CG-CB 4.23Å; Y133-A135 PolarHBondContact O-N 3.27Å; A135-V137 VanDerWaalsContact C-N 3.28Å; A135-V137 PolarHBondContact O-N 2.97Å; A135-Y178 HydrophobicContact CB-CD1 3.85Å; A135-Y178 HydrophobicContact CB-CE1 4.17Å
136D90.7Very high93.3Very high84 Ų8445.7 Ų45.745%0.44926%0.26SS..EExtended strand (participates in β ladder)trans56.537170.4-45.6-32.1000113.8S138 Y176 Y178D136-S138 PolarHBondContact O-N 3.49Å; D136-Y176 HydrophobicContact CB-CD1 4.41Å; D136-Y176 HydrophobicContact CB-CE1 4.47Å; D136-Y176 HydrophobicContact CB-CG 4.5Å; D136-Y178 VanDerWaalsContact OD1-CE1 3.29Å; D136-Y178 WeakPolarHBondContact OD1-CE1 3.35Å; D136-Y178 PolarHBondContact OD1-OH 3.41Å
137V93.3Very high93.2Very high19 Ų1952.3 Ų52.312%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-85.2107.1175179.40000108.6I66 I68 A135 G139 L177 F179I66-V137 HydrophobicContact CG2-CG1 4.5Å; I68-V137 HydrophobicContact CB-CG2 4.45Å; I68-V137 HydrophobicContact CG1-CG2 4.47Å; I68-V137 HydrophobicContact CG2-CG2 3.96Å; A135-V137 VanDerWaalsContact C-N 3.28Å; A135-V137 PolarHBondContact O-N 2.97Å; V137-G139 PolarHBondContact O-N 3.35Å; V137-L177 HydrophobicContact CB-CB 4.17Å; V137-L177 PolarHBondContact N-O 2.9Å; V137-L177 VanDerWaalsContact N-O 3.11Å; V137-L177 WeakPolarHBondContact O-CB 3.35Å; V137-L177 PolarHBondContact O-N 3.12Å; V137-F179 HydrophobicContact CB-CE2 4.48Å; V137-F179 HydrophobicContact CG2-CD2 4.4Å; V137-F179 HydrophobicContact CG2-CE2 4.45Å
138S90.6Very high93.5Very high77 Ų7751.6 Ų51.654%0.53829%0.286SS..EExtended strand (participates in β ladder)trans-57.8128.9-179.9-480000112D136 Y176D136-S138 PolarHBondContact O-N 3.49Å; S138-Y176 WeakPolarHBondContact OG-CE1 3.38Å
139G91.8Very high93.7Very high28 Ų2844.3 Ų44.329%0.28926%0.257SS..  trans149172.6175.500000113.3V137 P175V137-G139 PolarHBondContact O-N 3.35Å; G139-P175 PolarHBondContact N-O 3.06Å; G139-P175 VanDerWaalsContact N-O 3.1Å; G139-P175 CarbonylContact O-C 3.58Å; G139-P175 WeakPolarHBondContact O-CG 3.43Å
140S94.8Very high93.9Very high48 Ų4839.5 Ų39.534%0.33624%0.235SC..  trans-129.7142.4174.1-175.70000110.7F142 E288S140-F142 PolarHBondContact OG-N 3.14Å; S140-E288 VanDerWaalsContact CA-OE2 3.26Å; S140-E288 WeakPolarHBondContact CA-OE2 3.33Å; S140-E288 VanDerWaalsContact CB-OE1 3.22Å; S140-E288 WeakPolarHBondContact CB-OE1 3.41Å; S140-E288 VanDerWaalsContact OG-CD 3.25Å; S140-E288 PolarHBondContact OG-OE1 2.73Å; S140-E288 PolarHBondContact OG-OE2 3.26Å
141L96.6Very high93.7Very high11 Ų1138.1 Ų38.16%0.05823%0.226CC..  trans-99.3-0.9172.3-65.2-169.5000112.6R57 Y60 I63 I66 L177 F203 E288R57-L141 WeakPolarHBondContact CD-O 3.4Å; R57-L141 PolarHBondContact NE-O 2.92Å; R57-L141 VanDerWaalsContact NE-O 3.16Å; Y60-L141 HydrophobicContact CD1-CD1 4.31Å; Y60-L141 HydrophobicContact CE1-CD1 4.25Å; I63-L141 HydrophobicContact CG2-CD1 4.42Å; I63-L141 HydrophobicContact CG2-CD2 4.1Å; I66-L141 HydrophobicContact CD1-CD2 3.63Å; L141-L177 HydrophobicContact CB-CD2 4.48Å; L141-L177 HydrophobicContact CD1-CD2 4.3Å; L141-L177 HydrophobicContact CD2-CD1 3.89Å; L141-L177 HydrophobicContact CG-CD1 3.89Å; L141-L177 HydrophobicContact CG-CD2 3.76Å; L141-F203 HydrophobicContact CD1-CE1 4.38Å; L141-E288 PolarHBondContact N-OE2 2.92Å
142F95.5Very high93Very high18 Ų1838.6 Ų38.68%0.07923%0.231CC..SBendtrans-66.7138.4174.4-76.9-106.3000110.7W54 A56 S140 T146 W149 N150 V151 Y200 H202 F268 E288W54-F142 AromaticContact CH2-CE1 3.87Å; W54-F142 HydrophobicContact CH2-CE1 3.87Å; W54-F142 HydrophobicContact CH2-CZ 4.42Å; W54-F142 AromaticContact CZ2-CE1 3.84Å; W54-F142 HydrophobicContact CZ2-CE1 3.84Å; A56-F142 HydrophobicContact CB-CD1 3.74Å; A56-F142 HydrophobicContact CB-CE1 3.57Å; A56-F142 HydrophobicContact CB-CE2 4.48Å; A56-F142 HydrophobicContact CB-CG 4.29Å; A56-F142 HydrophobicContact CB-CZ 3.96Å; S140-F142 PolarHBondContact OG-N 3.14Å; F142-T146 HydrophobicContact CD1-CG2 4.02Å; F142-W149 WeakPolarHBondContact CE1-O 3.37Å; F142-N150 WeakPolarHBondContact CB-OD1 3.4Å; F142-N150 HydrophobicContact CD1-CB 4.27Å; F142-V151 HydrophobicContact CD2-CB 4.27Å; F142-V151 HydrophobicContact CE2-CB 3.68Å; F142-V151 HydrophobicContact CE2-CG2 3.66Å; F142-V151 HydrophobicContact CZ-CB 4.1Å; F142-V151 HydrophobicContact CZ-CG2 3.64Å; F142-Y200 HydrophobicContact CE2-CD1 4.05Å; F142-Y200 AromaticContact CZ-CD1 3.76Å; F142-Y200 HydrophobicContact CZ-CD1 3.76Å; F142-Y200 HydrophobicContact CZ-CE1 4.37Å; F142-Y200 AromaticContact CZ-CG 4Å; F142-Y200 HydrophobicContact CZ-CG 4Å; F142-H202 AromaticContact CD2-CE1 3.67Å; F142-H202 AromaticContact CD2-NE2 3.88Å; F142-H202 AromaticContact CE2-CE1 3.52Å; F142-H202 AromaticContact CE2-NE2 3.56Å; F142-F268 HydrophobicContact CZ-CE1 4.37Å; F142-F268 HydrophobicContact CZ-CZ 4.44Å; F142-E288 WeakPolarHBondContact CD2-OE1 3.31Å; F142-E288 WeakPolarHBondContact CD2-OE2 3.47Å; F142-E288 HydrophobicContact CE2-CB 4.5Å
143D92.9Very high92.3Very high40 Ų4045 Ų4521%0.21426%0.26CS..  trans-67.1140.3171.9-73.2-20.4000109.1A56 R57 Q58 K145 T146A56-D143 PolarHBondContact O-N 3.31Å; A56-D143 VanDerWaalsContact O-N 3.12Å; R57-D143 VanDerWaalsContact CA-OD2 3.26Å; R57-D143 WeakPolarHBondContact CA-OD2 3.44Å; R57-D143 HydrophobicContact CB-CB 4.38Å; R57-D143 VanDerWaalsContact CB-CG 3.5Å; R57-D143 WeakPolarHBondContact CB-OD1 3.41Å; Q58-D143 PolarHBondContact N-OD2 3.5Å; D143-K145 HydrophobicContact CB-CG 3.9Å; D143-K145 PolarHBondContact O-N 3.02Å; D143-K145 WeakPolarHBondContact OD2-CE 3.38Å; D143-T146 WeakPolarHBondContact O-CB 3.36Å; D143-T146 PolarHBondContact O-N 3.39Å; D143-T146 PolarHBondContact O-OG1 3.44Å
144G87.1Confident91.5Very high73 Ų7345.1 Ų45.175%0.75326%0.262SS*.THydrogen-bonded Turntrans-61.4-14.2179.600000114.9
145K90.6Very high90.2Very high141 Ų14147.2 Ų47.261%0.61328%0.283SS*.THydrogen-bonded Turntrans-82-1917363178.2-179.8177.60113.3D143 Q147D143-K145 HydrophobicContact CB-CG 3.9Å; D143-K145 PolarHBondContact O-N 3.02Å; D143-K145 WeakPolarHBondContact OD2-CE 3.38Å; K145-Q147 PolarHBondContact O-N 3.07Å; K145-Q147 PolarHBondContact O-NE2 3.25Å
146T93.3Very high89Confident11 Ų1146.7 Ų46.77%0.06728%0.279CS..  trans-74.4113-177.8-56.90000109.2W54 A56 F142 D143 N150W54-T146 HydrophobicContact CZ2-CG2 4.15Å; A56-T146 PolarHBondContact O-OG1 3.17Å; F142-T146 HydrophobicContact CD1-CG2 4.02Å; D143-T146 WeakPolarHBondContact O-CB 3.36Å; D143-T146 PolarHBondContact O-N 3.39Å; D143-T146 PolarHBondContact O-OG1 3.44Å; T146-N150 WeakPolarHBondContact O-CB 3.45Å; T146-N150 PolarHBondContact O-ND2 3.37Å
147Q90.7Very high87.9Confident141 Ų14143.5 Ų43.566%0.65926%0.261SS*.  trans-97.1-40.8-177.1-60.2-57.5-57.900112.1K145 W149K145-Q147 PolarHBondContact O-N 3.07Å; K145-Q147 PolarHBondContact O-NE2 3.25Å; Q147-W149 PolarHBondContact O-N 3.34Å
148Q94.4Very high86.4Confident57 Ų5743 Ų4327%0.26626%0.258SS..THydrogen-bonded Turntrans-74.5126.6-178.8-59.285.8-7.200110.6F25 N26 W54 N150F25-Q148 HydrophobicContact CD1-CB 3.92Å; F25-Q148 HydrophobicContact CE1-CB 4.13Å; N26-Q148 WeakPolarHBondContact OD1-CG 3.49Å; N26-Q148 PolarHBondContact OD1-NE2 3.24Å; W54-Q148 PolarHBondContact NE1-O 3.27Å; Q148-N150 PolarHBondContact O-N 2.88Å; Q148-N150 VanDerWaalsContact O-N 3.15Å
149W95Very high85.3Confident5 Ų540.8 Ų40.82%0.01924%0.24CC..THydrogen-bonded Turntrans52.137.4172.5-70.555.4000113.3F25 F28 Y31 I32 V48 F142 Q147 V151 I198 F268F25-W149 HydrophobicContact CD1-CG 4.42Å; F25-W149 AromaticContact CD2-CD1 3.77Å; F25-W149 AromaticContact CD2-CD2 4Å; F25-W149 HydrophobicContact CD2-CD2 4Å; F25-W149 AromaticContact CD2-CE2 3.61Å; F25-W149 HydrophobicContact CD2-CG 4.11Å; F25-W149 HydrophobicContact CD2-CZ2 4.14Å; F25-W149 AromaticContact CD2-NE1 3.46Å; F25-W149 HydrophobicContact CE1-CB 3.88Å; F25-W149 AromaticContact CE1-CD1 3.83Å; F25-W149 HydrophobicContact CE1-CD2 4.44Å; F25-W149 AromaticContact CE1-CG 3.79Å; F25-W149 HydrophobicContact CE1-CG 3.79Å; F25-W149 HydrophobicContact CE2-CB 4.23Å; F25-W149 AromaticContact CE2-CD1 3.61Å; F25-W149 AromaticContact CE2-CD2 3.25Å; F25-W149 HydrophobicContact CE2-CD2 3.25Å; F25-W149 AromaticContact CE2-CE2 3.34Å; F25-W149 AromaticContact CE2-CE3 3.76Å; F25-W149 HydrophobicContact CE2-CE3 3.76Å; F25-W149 AromaticContact CE2-CG 3.47Å; F25-W149 HydrophobicContact CE2-CG 3.47Å; F25-W149 VanDerWaalsContact CE2-CG 3.47Å; F25-W149 HydrophobicContact CE2-CH2 4.42Å; F25-W149 AromaticContact CE2-CZ2 3.95Å; F25-W149 HydrophobicContact CE2-CZ2 3.95Å; F25-W149 HydrophobicContact CE2-CZ3 4.32Å; F25-W149 AromaticContact CE2-NE1 3.54Å; F25-W149 AromaticContact CG-CD1 3.99Å; F25-W149 AromaticContact CG-NE1 3.97Å; F25-W149 HydrophobicContact CZ-CB 3.53Å; F25-W149 AromaticContact CZ-CD1 3.63Å; F25-W149 AromaticContact CZ-CD2 3.52Å; F25-W149 HydrophobicContact CZ-CD2 3.52Å; F25-W149 HydrophobicContact CZ-CE3 4.04Å; F25-W149 AromaticContact CZ-CG 3.27Å; F25-W149 HydrophobicContact CZ-CG 3.27Å; F25-W149 PolarHBondContact O-NE1 2.91Å; F28-W149 AromaticContact CD2-CD2 3.62Å; F28-W149 HydrophobicContact CD2-CD2 3.62Å; F28-W149 AromaticContact CD2-CE2 3.6Å; F28-W149 AromaticContact CD2-CE3 3.9Å; F28-W149 HydrophobicContact CD2-CE3 3.9Å; F28-W149 HydrophobicContact CD2-CG 4.11Å; F28-W149 HydrophobicContact CD2-CH2 4.09Å; F28-W149 AromaticContact CD2-CZ2 3.86Å; F28-W149 HydrophobicContact CD2-CZ2 3.86Å; F28-W149 HydrophobicContact CD2-CZ3 4.12Å; F28-W149 HydrophobicContact CE2-CD2 4.18Å; F28-W149 AromaticContact CE2-CE3 3.97Å; F28-W149 HydrophobicContact CE2-CE3 3.97Å; F28-W149 HydrophobicContact CE2-CH2 4.08Å; F28-W149 HydrophobicContact CE2-CZ2 4.32Å; F28-W149 AromaticContact CE2-CZ3 3.91Å; F28-W149 HydrophobicContact CE2-CZ3 3.91Å; Y31-W149 HydrophobicContact CD1-CH2 4.05Å; Y31-W149 AromaticContact CD1-CZ2 3.67Å; Y31-W149 HydrophobicContact CD1-CZ2 3.67Å; Y31-W149 HydrophobicContact CG-CZ2 4.12Å; I32-W149 HydrophobicContact CD1-CH2 4.47Å; V48-W149 HydrophobicContact CB-CH2 4.27Å; V48-W149 HydrophobicContact CB-CZ3 4.22Å; V48-W149 HydrophobicContact CG1-CH2 4Å; V48-W149 HydrophobicContact CG1-CZ3 4.23Å; V48-W149 HydrophobicContact CG2-CH2 3.97Å; V48-W149 HydrophobicContact CG2-CZ3 4.19Å; F142-W149 WeakPolarHBondContact CE1-O 3.37Å; Q147-W149 PolarHBondContact O-N 3.34Å; W149-V151 PolarHBondContact O-N 3.39Å; W149-I198 HydrophobicContact CE3-CD1 3.65Å; W149-I198 HydrophobicContact CZ3-CD1 3.84Å; W149-F268 HydrophobicContact CB-CE1 4.3Å; W149-F268 HydrophobicContact CB-CZ 3.9Å; W149-F268 HydrophobicContact CE3-CD1 4.05Å; W149-F268 HydrophobicContact CE3-CD2 4.23Å; W149-F268 HydrophobicContact CE3-CE1 4.12Å; W149-F268 HydrophobicContact CE3-CE2 4.34Å; W149-F268 HydrophobicContact CE3-CG 4.07Å; W149-F268 HydrophobicContact CE3-CZ 4.26Å; W149-F268 HydrophobicContact CZ3-CB 4.42Å; W149-F268 HydrophobicContact CZ3-CG 4.31Å
150N93.8Very high84Confident8 Ų842.7 Ų42.74%0.04324%0.243CC..  trans-72.8110.5175.3-171.4-35.4000109.1F142 T146 Q148 G152 H153 L154F142-N150 WeakPolarHBondContact CB-OD1 3.4Å; F142-N150 HydrophobicContact CD1-CB 4.27Å; T146-N150 WeakPolarHBondContact O-CB 3.45Å; T146-N150 PolarHBondContact O-ND2 3.37Å; Q148-N150 PolarHBondContact O-N 2.88Å; Q148-N150 VanDerWaalsContact O-N 3.15Å; N150-G152 PolarHBondContact O-N 3.03Å; N150-G152 PolarHBondContact OD1-N 3.21Å; N150-H153 HydrophobicContact CB-CB 4.48Å; N150-H153 CarbonylContact O-C 3.56Å; N150-H153 WeakPolarHBondContact O-CA 3.42Å; N150-H153 PolarHBondContact O-N 2.72Å; N150-L154 WeakPolarHBondContact O-CD2 3.32Å; N150-L154 PolarHBondContact O-N 2.74Å; N150-L154 VanDerWaalsContact O-N 3.17Å
151V90.3Very high82.6Confident0 Ų041.1 Ų41.10%023%0.231CC..THydrogen-bonded Turntrans-63.1-27.4-176.1176.40000111.9F142 W149 H153 P175 I198 F268 E288 I290F142-V151 HydrophobicContact CD2-CB 4.27Å; F142-V151 HydrophobicContact CE2-CB 3.68Å; F142-V151 HydrophobicContact CE2-CG2 3.66Å; F142-V151 HydrophobicContact CZ-CB 4.1Å; F142-V151 HydrophobicContact CZ-CG2 3.64Å; W149-V151 PolarHBondContact O-N 3.39Å; V151-H153 VanDerWaalsContact C-N 3.3Å; V151-H153 PolarHBondContact O-N 3.26Å; V151-P175 HydrophobicContact CG1-CB 4.4Å; V151-I198 HydrophobicContact CG1-CG2 4.42Å; V151-I198 HydrophobicContact CG2-CG2 4.35Å; V151-F268 HydrophobicContact CG2-CE1 4.12Å; V151-E288 HydrophobicContact CB-CG 4.2Å; V151-E288 HydrophobicContact CG1-CG 3.84Å; V151-I290 HydrophobicContact CG1-CB 3.91Å; V151-I290 HydrophobicContact CG1-CG2 3.67Å; V151-I290 WeakPolarHBondContact O-CG2 3.26Å
152G84.4Confident81.3Confident13 Ų1344.5 Ų44.513%0.13425%0.246CC..THydrogen-bonded Turntrans-74.8-16.8172.400000114.6N150N150-G152 PolarHBondContact O-N 3.03Å; N150-G152 PolarHBondContact OD1-N 3.21Å
153H83.4Confident79.9Confident141 Ų14149.5 Ų49.565%0.65327%0.27SS*.  trans-149.968.5-174.8-62.4-55.8000111.3N150 V151 G155N150-H153 HydrophobicContact CB-CB 4.48Å; N150-H153 CarbonylContact O-C 3.56Å; N150-H153 WeakPolarHBondContact O-CA 3.42Å; N150-H153 PolarHBondContact O-N 2.72Å; V151-H153 VanDerWaalsContact C-N 3.3Å; V151-H153 PolarHBondContact O-N 3.26Å; H153-G155 VanDerWaalsContact C-N 3.27Å; H153-G155 PolarHBondContact O-N 3.2Å
154L81.4Confident78.5Confident18 Ų1853.4 Ų53.49%0.09429%0.287CS..  trans-72.9-19.1-178.2-66.9171.9000113.3F28 N150 T156 I198 I290 F292F28-L154 HydrophobicContact CD2-CD2 4.36Å; F28-L154 HydrophobicContact CE1-CD1 4.35Å; F28-L154 HydrophobicContact CE1-CD2 4.46Å; F28-L154 HydrophobicContact CE2-CD2 4.34Å; F28-L154 HydrophobicContact CG-CD2 4.44Å; F28-L154 HydrophobicContact CZ-CD1 4.38Å; F28-L154 HydrophobicContact CZ-CD2 4.37Å; N150-L154 WeakPolarHBondContact O-CD2 3.32Å; N150-L154 PolarHBondContact O-N 2.74Å; N150-L154 VanDerWaalsContact O-N 3.17Å; L154-T156 VanDerWaalsContact C-N 3.33Å; L154-T156 HydrophobicContact CB-CG2 3.62Å; L154-I198 HydrophobicContact CD1-CG2 3.69Å; L154-I290 HydrophobicContact CD1-CG2 3.46Å; L154-I290 VanDerWaalsContact CD1-CG2 3.46Å; L154-I290 HydrophobicContact CG-CG2 4.35Å; L154-F292 HydrophobicContact CD1-CB 4.06Å; L154-F292 HydrophobicContact CD1-CD1 4.39Å; L154-F292 HydrophobicContact CD1-CG 4.41Å
155G69.4Low77.4Confident43 Ų4352.1 Ų52.144%0.44327%0.266SS..  trans75.122.6-178.500000113.6H153 D159H153-G155 VanDerWaalsContact C-N 3.27Å; H153-G155 PolarHBondContact O-N 3.2Å; G155-D159 WeakPolarHBondContact CA-OD2 3.35Å; G155-D159 PolarHBondContact N-OD2 2.89Å
156T70.1Confident76.3Confident5 Ų548.4 Ų48.43%0.03127%0.267CS..SBendtrans-89.7-177.1-170.161.50000112.1F28 L154 Q158 D159 L160 F292F28-T156 HydrophobicContact CD1-CG2 3.88Å; F28-T156 HydrophobicContact CE1-CG2 3.78Å; L154-T156 VanDerWaalsContact C-N 3.33Å; L154-T156 HydrophobicContact CB-CG2 3.62Å; T156-Q158 PolarHBondContact O-N 3.15Å; T156-Q158 VanDerWaalsContact O-N 3.17Å; T156-Q158 PolarHBondContact OG1-OE1 3.38Å; T156-D159 PolarHBondContact N-OD2 2.95Å; T156-D159 WeakPolarHBondContact O-CB 3.45Å; T156-D159 PolarHBondContact O-N 3.01Å; T156-L160 PolarHBondContact O-N 3.32Å; T156-F292 HydrophobicContact CG2-CB 4.08Å; T156-F292 HydrophobicContact CG2-CD2 4.47Å
157I66.3Low75Confident17 Ų1751.7 Ų51.79%0.08728%0.284CS..Hα-helixtrans-55.8-30.3178.7-76.3161.8000112.7D159 L160 L161 A293 P295 F321 L325I157-D159 VanDerWaalsContact C-N 3.33Å; I157-D159 PolarHBondContact O-N 3.47Å; I157-L160 WeakPolarHBondContact O-CB 3.25Å; I157-L160 PolarHBondContact O-N 2.64Å; I157-L161 HydrophobicContact CG2-CD1 4.35Å; I157-L161 PolarHBondContact O-N 3.29Å; I157-A293 HydrophobicContact CB-CB 4.37Å; I157-A293 HydrophobicContact CG2-CB 4.42Å; I157-P295 HydrophobicContact CD1-CG 4.34Å; I157-F321 HydrophobicContact CG2-CD1 3.98Å; I157-F321 HydrophobicContact CG2-CE1 3.92Å; I157-L325 HydrophobicContact CD1-CD1 3.66Å; I157-L325 HydrophobicContact CD1-CD2 4.09Å; I157-L325 HydrophobicContact CG1-CD1 4.22Å; I157-L325 HydrophobicContact CG1-CD2 4.4Å; I157-L325 HydrophobicContact CG2-CD1 3.75Å
158Q62.1Low73.8Confident9 Ų948.9 Ų48.94%0.04228%0.276CS..Hα-helixtrans-60-43.3174.2-79.483.71.300112.3T156 L160 L161 E162 N173 F292 A293T156-Q158 PolarHBondContact O-N 3.15Å; T156-Q158 VanDerWaalsContact O-N 3.17Å; T156-Q158 PolarHBondContact OG1-OE1 3.38Å; Q158-L160 PolarHBondContact O-N 3.39Å; Q158-L161 PolarHBondContact O-N 3.35Å; Q158-L161 VanDerWaalsContact O-N 3.08Å; Q158-E162 PolarHBondContact O-N 3.21Å; Q158-N173 HydrophobicContact CB-CB 4.04Å; Q158-N173 HydrophobicContact CG-CB 4.32Å; Q158-F292 VanDerWaalsContact CD-CA 3.46Å; Q158-A293 VanDerWaalsContact CD-N 3.34Å; Q158-A293 VanDerWaalsContact NE2-CB 3.26Å
159D67.8Low72.5Confident29 Ų2948 Ų4816%0.15527%0.273CS..Hα-helixtrans-65.5-33.2178.9-62.6-25000110.6G155 T156 I157 L161 Q163G155-D159 WeakPolarHBondContact CA-OD2 3.35Å; G155-D159 PolarHBondContact N-OD2 2.89Å; T156-D159 PolarHBondContact N-OD2 2.95Å; T156-D159 WeakPolarHBondContact O-CB 3.45Å; T156-D159 PolarHBondContact O-N 3.01Å; I157-D159 VanDerWaalsContact C-N 3.33Å; I157-D159 PolarHBondContact O-N 3.47Å; D159-L161 VanDerWaalsContact C-N 3.35Å; D159-Q163 VanDerWaalsContact O-CB 3.28Å; D159-Q163 WeakPolarHBondContact O-CB 3.17Å; D159-Q163 WeakPolarHBondContact O-CG 3.33Å; D159-Q163 PolarHBondContact O-N 2.89Å
160L64.1Low71Confident69 Ų6954.5 Ų54.536%0.36130%0.303SS..Hα-helixtrans-65.3-38.2173.1-67.8175.3000111.7T156 I157 Q158 Q163 E164T156-L160 PolarHBondContact O-N 3.32Å; I157-L160 WeakPolarHBondContact O-CB 3.25Å; I157-L160 PolarHBondContact O-N 2.64Å; Q158-L160 PolarHBondContact O-N 3.39Å; L160-Q163 PolarHBondContact O-N 3.12Å; L160-E164 VanDerWaalsContact O-CB 3.24Å; L160-E164 WeakPolarHBondContact O-CB 3.4Å; L160-E164 WeakPolarHBondContact O-CG 3.15Å; L160-E164 PolarHBondContact O-N 3.48Å
161L64.6Low69.3Low15 Ų1554.5 Ų54.58%0.07931%0.306CS..Hα-helixtrans-74.8-35.9178.5-74.7169.4000113.7I157 Q158 D159 Q163 C165 G166 A320 F321 I324I157-L161 HydrophobicContact CG2-CD1 4.35Å; I157-L161 PolarHBondContact O-N 3.29Å; Q158-L161 PolarHBondContact O-N 3.35Å; Q158-L161 VanDerWaalsContact O-N 3.08Å; D159-L161 VanDerWaalsContact C-N 3.35Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-C165 WeakPolarHBondContact O-CA 3.44Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.41Å; L161-C165 PolarHBondContact O-N 3.49Å; L161-G166 PolarHBondContact O-N 2.56Å; L161-A320 HydrophobicContact CD2-CB 3.63Å; L161-F321 HydrophobicContact CD1-CD1 3.4Å; L161-F321 HydrophobicContact CD1-CD2 3.76Å; L161-F321 HydrophobicContact CD1-CE1 2.97Å; L161-F321 HydrophobicContact CD1-CE2 3.3Å; L161-F321 HydrophobicContact CD1-CG 3.82Å; L161-F321 HydrophobicContact CD1-CZ 2.93Å; L161-F321 HydrophobicContact CG-CE1 4.36Å; L161-F321 HydrophobicContact CG-CZ 4.42Å; L161-I324 HydrophobicContact CD2-CD1 3.92Å
162E70.2Confident68.2Low82 Ų8254.6 Ų54.638%0.38331%0.306SS..Hα-helixtrans-60.5-44.2169.1-173.3-179.7179.600109.9Q158 G166 V168Q158-E162 PolarHBondContact O-N 3.21Å; E162-G166 WeakPolarHBondContact O-CA 3.39Å; E162-G166 PolarHBondContact O-N 3.44Å; E162-V168 HydrophobicContact CG-CG2 4.01Å
163Q66.1Low67.6Low123 Ų12354.6 Ų54.658%0.57530%0.303SS*.Hα-helixtrans-69.9-41.8-178.9-73.4171.425.900114D159 L160 L161D159-Q163 VanDerWaalsContact O-CB 3.28Å; D159-Q163 WeakPolarHBondContact O-CB 3.17Å; D159-Q163 WeakPolarHBondContact O-CG 3.33Å; D159-Q163 PolarHBondContact O-N 2.89Å; L160-Q163 PolarHBondContact O-N 3.12Å; L161-Q163 VanDerWaalsContact C-N 3.27Å
164E63.4Low67.4Low122 Ų12249.8 Ų49.857%0.5728%0.283SS*.Hα-helixtrans-90.4-31-174.1-68.2-172.9-179.400112.8L160L160-E164 VanDerWaalsContact O-CB 3.24Å; L160-E164 WeakPolarHBondContact O-CB 3.4Å; L160-E164 WeakPolarHBondContact O-CG 3.15Å; L160-E164 PolarHBondContact O-N 3.48Å
165C64.9Low67.8Low46 Ų4649.7 Ų49.731%0.31128%0.284SS..Hα-helixtrans-115.5-11.3-175-56.20000113.7L161 I167L161-C165 WeakPolarHBondContact O-CA 3.44Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.41Å; L161-C165 PolarHBondContact O-N 3.49Å; C165-I167 VanDerWaalsContact C-N 3.26Å; C165-I167 HydrophobicContact CB-CD1 3.94Å; C165-I167 HydrophobicContact CB-CG1 4.05Å; C165-I167 PolarHBondContact O-N 2.92Å
166G66.6Low69Low62 Ų6249.4 Ų49.464%0.63927%0.27SS*.  trans70.118.2-179.900000114.5L161 E162L161-G166 PolarHBondContact O-N 2.56Å; E162-G166 WeakPolarHBondContact O-CA 3.39Å; E162-G166 PolarHBondContact O-N 3.44Å
167I66.6Low70.2Confident81 Ų8149.4 Ų49.442%0.41527%0.269SS..  trans-93.6116.9-174.9-61.8172.9000109.3C165 I169 N173C165-I167 VanDerWaalsContact C-N 3.26Å; C165-I167 HydrophobicContact CB-CD1 3.94Å; C165-I167 HydrophobicContact CB-CG1 4.05Å; C165-I167 PolarHBondContact O-N 2.92Å; I167-I169 HydrophobicContact CG2-CD1 4.02Å; I167-I169 HydrophobicContact CG2-CG1 3.88Å; I167-N173 PolarHBondContact O-ND2 2.97Å
168V65.2Low71.8Confident82 Ų8250.7 Ų50.750%0.49727%0.274SS..  trans-106.7128.3171.4-177.20000109.3E162 N173 T174E162-V168 HydrophobicContact CG-CG2 4.01Å; V168-N173 WeakPolarHBondContact CG1-OD1 3.45Å; V168-T174 HydrophobicContact CG1-CG2 4.18Å
169I66.1Low73.5Confident38 Ų3850.2 Ų50.220%0.19527%0.272CS..  trans-126.2101.5178.7-55.9158000106.8I167 G171 V172 N173 V314 F316I167-I169 HydrophobicContact CG2-CD1 4.02Å; I167-I169 HydrophobicContact CG2-CG1 3.88Å; I169-G171 PolarHBondContact O-N 2.85Å; I169-V172 HydrophobicContact CB-CB 3.89Å; I169-V172 HydrophobicContact CB-CG1 4.45Å; I169-V172 HydrophobicContact CB-CG2 4.38Å; I169-V172 HydrophobicContact CG2-CB 3.62Å; I169-V172 HydrophobicContact CG2-CG1 4.39Å; I169-V172 HydrophobicContact CG2-CG2 3.54Å; I169-V172 PolarHBondContact O-N 3.1Å; I169-N173 VanDerWaalsContact C-OD1 3.29Å; I169-N173 PolarHBondContact N-OD1 3.07Å; I169-N173 PolarHBondContact O-N 3.2Å; I169-N173 PolarHBondContact O-OD1 3.41Å; I169-V314 HydrophobicContact CG2-CG1 4.42Å; I169-F316 HydrophobicContact CD1-CB 3.41Å; I169-F316 VanDerWaalsContact CD1-CB 3.41Å; I169-F316 HydrophobicContact CD1-CD1 3.56Å; I169-F316 HydrophobicContact CD1-CD2 4.27Å; I169-F316 HydrophobicContact CD1-CE1 4.36Å; I169-F316 HydrophobicContact CD1-CG 3.48Å; I169-F316 VanDerWaalsContact CD1-CG 3.48Å; I169-F316 HydrophobicContact CG1-CB 4.37Å
170E63.8Low75Confident141 Ų14148.9 Ų48.966%0.65926%0.264SS*.THydrogen-bonded Turntrans-53.3133-176.9-63.5-171165.300111.4V172 T174 Y176E170-V172 PolarHBondContact O-N 2.92Å; E170-V172 VanDerWaalsContact O-N 3.15Å; E170-T174 WeakPolarHBondContact CA-OG1 3.45Å; E170-Y176 WeakPolarHBondContact CB-OH 3.46Å
171G58.5Low76.6Confident9 Ų945.6 Ų45.69%0.09325%0.247CC..THydrogen-bonded Turntrans81.1-23.5-177.200000116.2I169 T174 Y176 N291I169-G171 PolarHBondContact O-N 2.85Å; G171-T174 CarbonylContact C-O 3.58Å; G171-T174 VanDerWaalsContact CA-O 3.31Å; G171-T174 WeakPolarHBondContact CA-O 3.37Å; G171-T174 PolarHBondContact N-OG1 3.21Å; G171-Y176 VanDerWaalsContact CA-CD2 3.46Å; G171-Y176 PolarHBondContact N-OH 2.99Å; G171-N291 PolarHBondContact O-OD1 2.81Å
172V67.6Low78.3Confident2 Ų245.7 Ų45.71%0.01225%0.246CC..THydrogen-bonded Turntrans-91.7-42.1176.4175.30000110.4I169 E170 L195 N291 V314 F316I169-V172 HydrophobicContact CB-CB 3.89Å; I169-V172 HydrophobicContact CB-CG1 4.45Å; I169-V172 HydrophobicContact CB-CG2 4.38Å; I169-V172 HydrophobicContact CG2-CB 3.62Å; I169-V172 HydrophobicContact CG2-CG1 4.39Å; I169-V172 HydrophobicContact CG2-CG2 3.54Å; I169-V172 PolarHBondContact O-N 3.1Å; E170-V172 PolarHBondContact O-N 2.92Å; E170-V172 VanDerWaalsContact O-N 3.15Å; V172-L195 HydrophobicContact CG1-CD1 3.53Å; V172-N291 HydrophobicContact CG1-CB 4.41Å; V172-V314 HydrophobicContact CG2-CG1 4.38Å; V172-F316 HydrophobicContact CG1-CE1 4.14Å
173N71.8Confident79.6Confident13 Ų1342.1 Ų42.17%0.0723%0.229CC..THydrogen-bonded Turntrans-121.410.3174.878.6-24.8000113.6Q158 I167 V168 I169Q158-N173 HydrophobicContact CB-CB 4.04Å; Q158-N173 HydrophobicContact CG-CB 4.32Å; I167-N173 PolarHBondContact O-ND2 2.97Å; V168-N173 WeakPolarHBondContact CG1-OD1 3.45Å; I169-N173 VanDerWaalsContact C-OD1 3.29Å; I169-N173 PolarHBondContact N-OD1 3.07Å; I169-N173 PolarHBondContact O-N 3.2Å; I169-N173 PolarHBondContact O-OD1 3.41Å
174T79.7Confident81.1Confident39 Ų3936.2 Ų36.224%0.23920%0.202CC..SBendtrans-126.9139.7169.760.90000110.4V168 E170 G171V168-T174 HydrophobicContact CG1-CG2 4.18Å; E170-T174 WeakPolarHBondContact CA-OG1 3.45Å; G171-T174 CarbonylContact C-O 3.58Å; G171-T174 VanDerWaalsContact CA-O 3.31Å; G171-T174 WeakPolarHBondContact CA-O 3.37Å; G171-T174 PolarHBondContact N-OG1 3.21Å
175P89Confident82.8Confident17 Ų1730.6 Ų30.611%0.1118%0.176CC..  trans-72143.8-17730.4-37.1000112G139 V151 E288 A289G139-P175 PolarHBondContact N-O 3.06Å; G139-P175 VanDerWaalsContact N-O 3.1Å; G139-P175 CarbonylContact O-C 3.58Å; G139-P175 WeakPolarHBondContact O-CG 3.43Å; V151-P175 HydrophobicContact CG1-CB 4.4Å; P175-E288 HydrophobicContact CB-CG 4.11Å; P175-A289 WeakPolarHBondContact CA-O 3.44Å
176Y93.8Very high84.4Confident37 Ų3729.7 Ų29.715%0.14517%0.167CC..EExtended strand (participates in β ladder)trans-113.3139.3170.8-75.6-47.2000111.9D136 S138 E170 G171 Y178 E288 A289D136-Y176 HydrophobicContact CB-CD1 4.41Å; D136-Y176 HydrophobicContact CB-CE1 4.47Å; D136-Y176 HydrophobicContact CB-CG 4.5Å; S138-Y176 WeakPolarHBondContact OG-CE1 3.38Å; E170-Y176 WeakPolarHBondContact CB-OH 3.46Å; G171-Y176 VanDerWaalsContact CA-CD2 3.46Å; G171-Y176 PolarHBondContact N-OH 2.99Å; Y176-Y178 WeakPolarHBondContact O-CD2 3.24Å; Y176-Y178 WeakPolarHBondContact O-CE2 3.15Å; Y176-E288 CarbonylContact O-C 3.58Å; Y176-E288 WeakPolarHBondContact O-CA 3.39Å; Y176-A289 PolarHBondContact N-O 3.14Å; Y176-A289 PolarHBondContact O-N 3.48Å
177L97.2Very high85.9Confident4 Ų426.8 Ų26.82%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-94.4140.5169.5-57.8176.4000110.6V137 L141 F179 A287 E288V137-L177 HydrophobicContact CB-CB 4.17Å; V137-L177 PolarHBondContact N-O 2.9Å; V137-L177 VanDerWaalsContact N-O 3.11Å; V137-L177 WeakPolarHBondContact O-CB 3.35Å; V137-L177 PolarHBondContact O-N 3.12Å; L141-L177 HydrophobicContact CB-CD2 4.48Å; L141-L177 HydrophobicContact CD1-CD2 4.3Å; L141-L177 HydrophobicContact CD2-CD1 3.89Å; L141-L177 HydrophobicContact CG-CD1 3.89Å; L141-L177 HydrophobicContact CG-CD2 3.76Å; L177-F179 HydrophobicContact CB-CE2 3.97Å; L177-F179 HydrophobicContact CB-CZ 4.34Å; L177-F179 HydrophobicContact CD1-CE2 4.49Å; L177-F179 HydrophobicContact CD1-CZ 4.32Å; L177-A287 CarbonylContact C-O 3.54Å; L177-A287 WeakPolarHBondContact CA-O 3.28Å; L177-E288 HydrophobicContact CD2-CB 3.76Å; L177-E288 HydrophobicContact CD2-CG 3.79Å
178Y98.4Very high87.4Confident44 Ų4423 Ų2317%0.17312%0.117CC..EExtended strand (participates in β ladder)trans-127.8110.7-180-60-95.2000109.5Y133 G134 A135 D136 Y176 C286 A287 A289Y133-Y178 HydrophobicContact CE1-CD1 4.47Å; G134-Y178 CarbonylContact O-C 3.55Å; G134-Y178 WeakPolarHBondContact O-CA 3.11Å; A135-Y178 HydrophobicContact CB-CD1 3.85Å; A135-Y178 HydrophobicContact CB-CE1 4.17Å; D136-Y178 VanDerWaalsContact OD1-CE1 3.29Å; D136-Y178 WeakPolarHBondContact OD1-CE1 3.35Å; D136-Y178 PolarHBondContact OD1-OH 3.41Å; Y176-Y178 WeakPolarHBondContact O-CD2 3.24Å; Y176-Y178 WeakPolarHBondContact O-CE2 3.15Å; Y178-C286 CarbonylContact O-C 3.56Å; Y178-C286 VanDerWaalsContact O-CA 3.3Å; Y178-C286 WeakPolarHBondContact O-CA 3.23Å; Y178-A287 PolarHBondContact N-O 3.47Å; Y178-A287 PolarHBondContact O-N 2.79Å; Y178-A289 HydrophobicContact CD2-CB 4.46Å; Y178-A289 HydrophobicContact CE2-CB 3.84Å
179F98.7Very high89Confident0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans-95.1107.6174.2-61.8-81.4000109.4I66 I68 V95 Y98 Y133 G134 V137 L177 N285 C286I66-F179 HydrophobicContact CG2-CE2 4.5Å; I66-F179 HydrophobicContact CG2-CZ 4.42Å; I68-F179 HydrophobicContact CD1-CB 4.02Å; I68-F179 HydrophobicContact CD1-CD2 3.84Å; I68-F179 HydrophobicContact CD1-CG 4Å; I68-F179 HydrophobicContact CG1-CD2 3.94Å; I68-F179 HydrophobicContact CG1-CE2 4.34Å; V95-F179 HydrophobicContact CB-CE1 4.31Å; V95-F179 HydrophobicContact CG1-CD1 4.03Å; V95-F179 HydrophobicContact CG1-CE1 3.8Å; V95-F179 HydrophobicContact CG2-CD1 3.91Å; V95-F179 HydrophobicContact CG2-CD2 4.21Å; V95-F179 HydrophobicContact CG2-CE1 3.44Å; V95-F179 VanDerWaalsContact CG2-CE1 3.44Å; V95-F179 HydrophobicContact CG2-CE2 3.79Å; V95-F179 HydrophobicContact CG2-CG 4.27Å; V95-F179 HydrophobicContact CG2-CZ 3.38Å; Y98-F179 HydrophobicContact CD1-CB 4.1Å; Y98-F179 HydrophobicContact CE1-CB 3.83Å; Y98-F179 VanDerWaalsContact CZ-O 3.26Å; Y98-F179 PolarHBondContact OH-O 2.86Å; Y133-F179 WeakPolarHBondContact CD2-O 3.46Å; Y133-F179 WeakPolarHBondContact CE2-O 3.38Å; G134-F179 PolarHBondContact N-O 2.79Å; G134-F179 PolarHBondContact O-N 2.95Å; V137-F179 HydrophobicContact CB-CE2 4.48Å; V137-F179 HydrophobicContact CG2-CD2 4.4Å; V137-F179 HydrophobicContact CG2-CE2 4.45Å; L177-F179 HydrophobicContact CB-CE2 3.97Å; L177-F179 HydrophobicContact CB-CZ 4.34Å; L177-F179 HydrophobicContact CD1-CE2 4.49Å; L177-F179 HydrophobicContact CD1-CZ 4.32Å; F179-N285 CarbonylContact C-O 3.57Å; F179-N285 WeakPolarHBondContact CA-O 3.42Å; F179-C286 HydrophobicContact CD1-CB 3.94Å; F179-C286 HydrophobicContact CE1-CB 3.93Å; F179-C286 WeakPolarHBondContact CE1-SG 3.31Å
180G98.6Very high90.5Very high0 Ų018 Ų180%09%0.088CC..EExtended strand (participates in β ladder)trans-92.6156.4-178.800000113Y98 G283 F284 N285Y98-G180 WeakPolarHBondContact CE1-O 3.48Å; G180-G283 CarbonylContact C-O 3.49Å; G180-F284 VanDerWaalsContact O-CA 3.26Å; G180-F284 WeakPolarHBondContact O-CA 3.33Å; G180-N285 WeakPolarHBondContact CA-OD1 3.11Å; G180-N285 PolarHBondContact N-O 2.96Å; G180-N285 PolarHBondContact N-OD1 3.23Å; G180-N285 VanDerWaalsContact N-OD1 3.17Å; G180-N285 PolarHBondContact O-N 2.89Å; G180-N285 VanDerWaalsContact O-N 3.16Å
181M98.8Very high91.9Very high0 Ų012.1 Ų12.10%06%0.06CC..  trans-133.4174.3162.167.8175.46400109.2Y98 L101 A102 Y107 P131 I132 K183 T184 G283Y98-M181 HydrophobicContact CD2-CE 4.14Å; Y98-M181 HydrophobicContact CE1-CE 4.18Å; Y98-M181 HydrophobicContact CE2-CE 3.46Å; Y98-M181 VanDerWaalsContact CE2-CE 3.46Å; Y98-M181 VanDerWaalsContact CZ-CE 3.48Å; Y98-M181 PolarHBondContact OH-N 3.45Å; L101-M181 HydrophobicContact CD2-CE 4.2Å; L101-M181 HydrophobicContact CG-CE 4.29Å; A102-M181 HydrophobicContact CB-CB 3.59Å; A102-M181 HydrophobicContact CB-CE 4.15Å; Y107-M181 HydrophobicContact CD1-SD 3.92Å; Y107-M181 HydrophobicContact CG-SD 3.9Å; P131-M181 HydrophobicContact CB-CG 4.19Å; P131-M181 HydrophobicContact CB-SD 4.29Å; I132-M181 HydrophobicContact CB-CE 3.95Å; I132-M181 HydrophobicContact CB-SD 4.38Å; I132-M181 VanDerWaalsContact O-CE 3.28Å; I132-M181 WeakPolarHBondContact O-CE 3.33Å; I132-M181 VanDerWaalsContact O-CG 3.3Å; I132-M181 WeakPolarHBondContact O-CG 3.25Å; M181-K183 PolarHBondContact O-N 3.39Å; M181-T184 HydrophobicContact CB-CG2 4.44Å; M181-T184 HydrophobicContact CG-CG2 3.52Å; M181-T184 PolarHBondContact N-OG1 3.2Å; M181-T184 VanDerWaalsContact N-OG1 3.11Å; M181-T184 WeakPolarHBondContact O-CB 3.39Å; M181-T184 PolarHBondContact O-N 3.1Å; M181-T184 PolarHBondContact O-OG1 2.85Å; M181-G283 CarbonylContact C-O 3.59Å; M181-G283 VanDerWaalsContact CA-O 3.31Å; M181-G283 WeakPolarHBondContact CA-O 3.37Å
182W98.6Very high93.4Very high18 Ų1813 Ų137%0.0686%0.063CC..THydrogen-bonded Turntrans-50.7135.1178.8168.9-124.8000111.3Y107 T109 P110 L118 P131 T184 F280Y107-W182 WeakPolarHBondContact O-CB 3.4Å; T109-W182 HydrophobicContact CG2-CD2 4.47Å; T109-W182 HydrophobicContact CG2-CE3 4.28Å; P110-W182 VanDerWaalsContact CD-NE1 3.3Å; P110-W182 HydrophobicContact CG-CH2 4.49Å; P110-W182 HydrophobicContact CG-CZ2 3.77Å; L118-W182 HydrophobicContact CD1-CE3 4.13Å; L118-W182 HydrophobicContact CD1-CH2 3.3Å; L118-W182 HydrophobicContact CD1-CZ2 4.02Å; L118-W182 HydrophobicContact CD1-CZ3 3.38Å; L118-W182 HydrophobicContact CD2-CZ3 3.88Å; L118-W182 HydrophobicContact CG-CE3 4.47Å; L118-W182 HydrophobicContact CG-CH2 3.68Å; L118-W182 HydrophobicContact CG-CZ3 3.49Å; L118-W182 VanDerWaalsContact CG-CZ3 3.49Å; P131-W182 WeakPolarHBondContact CB-O 3.36Å; W182-T184 PolarHBondContact O-N 3.34Å; W182-T184 VanDerWaalsContact O-N 3.14Å; W182-F280 HydrophobicContact CZ3-CD2 4.24Å; W182-F280 HydrophobicContact CZ3-CE2 4.07Å
183K98.1Very high94.4Very high6 Ų613.4 Ų13.43%0.0267%0.065CC..THydrogen-bonded Turntrans65.7-3.9-176-56.6176.454.4-174.70117.4Y122 N125 R126 Y128 E129 P131 M181 T185 N281Y122-K183 HydrophobicContact CD2-CB 4.29Å; Y122-K183 HydrophobicContact CD2-CG 4.21Å; Y122-K183 HydrophobicContact CE2-CB 4.31Å; N125-K183 PolarHBondContact O-NZ 3.07Å; R126-K183 PolarHBondContact O-NZ 3.2Å; Y128-K183 PolarHBondContact O-NZ 3.41Å; E129-K183 PolarHBondContact O-NZ 3.22Å; E129-K183 VanDerWaalsContact O-NZ 3.16Å; P131-K183 HydrophobicContact CB-CB 4.36Å; P131-K183 HydrophobicContact CG-CB 3.94Å; M181-K183 PolarHBondContact O-N 3.39Å; K183-T185 PolarHBondContact O-N 3.05Å; K183-T185 PolarHBondContact O-OG1 2.9Å; K183-N281 PolarHBondContact N-O 2.92Å
184T98.6Very high95.5Very high0 Ų013 Ų130%06%0.063CC..  trans-58.4133171.451.80000109.5Q74 P131 I132 Y133 M181 W182 F280 N281Q74-T184 VanDerWaalsContact OE1-CA 3.31Å; P131-T184 HydrophobicContact CB-CG2 3.87Å; P131-T184 HydrophobicContact CG-CG2 4.28Å; I132-T184 WeakPolarHBondContact O-CG2 3.2Å; Y133-T184 HydrophobicContact CD2-CG2 3.96Å; Y133-T184 HydrophobicContact CG-CG2 3.99Å; M181-T184 HydrophobicContact CB-CG2 4.44Å; M181-T184 HydrophobicContact CG-CG2 3.52Å; M181-T184 PolarHBondContact N-OG1 3.2Å; M181-T184 VanDerWaalsContact N-OG1 3.11Å; M181-T184 WeakPolarHBondContact O-CB 3.39Å; M181-T184 PolarHBondContact O-N 3.1Å; M181-T184 PolarHBondContact O-OG1 2.85Å; W182-T184 PolarHBondContact O-N 3.34Å; W182-T184 VanDerWaalsContact O-N 3.14Å; T184-F280 CarbonylContact O-C 3.59Å; T184-F280 VanDerWaalsContact O-CA 3.26Å; T184-F280 WeakPolarHBondContact O-CA 3.45Å; T184-N281 PolarHBondContact O-N 3.09Å; T184-N281 PolarHBondContact O-ND2 2.61Å; T184-N281 WeakPolarHBondContact OG1-CB 3.41Å; T184-N281 PolarHBondContact OG1-ND2 2.87Å
185T98.4Very high96.1Very high3 Ų311.2 Ų11.22%0.0185%0.052CC..EExtended strand (participates in β ladder)trans-127.9139.9-161.3-580000110.7Q74 Y122 R126 K183 L245 G279Q74-T185 PolarHBondContact NE2-O 3.34Å; Y122-T185 WeakPolarHBondContact OH-CG2 3.32Å; Y122-T185 PolarHBondContact OH-OG1 3.28Å; R126-T185 PolarHBondContact NE-OG1 3.21Å; R126-T185 PolarHBondContact NH2-OG1 3.29Å; K183-T185 PolarHBondContact O-N 3.05Å; K183-T185 PolarHBondContact O-OG1 2.9Å; T185-L245 HydrophobicContact CG2-CD1 3.96Å; T185-L245 HydrophobicContact CG2-CD2 3.44Å; T185-L245 VanDerWaalsContact CG2-CD2 3.44Å; T185-L245 HydrophobicContact CG2-CG 4.37Å; T185-G279 WeakPolarHBondContact CA-O 3.47Å; T185-G279 WeakPolarHBondContact CG2-O 3.37Å
186F98.3Very high96.4Very high28 Ų2810.4 Ų10.412%0.1235%0.046CC..EExtended strand (participates in β ladder)trans-110.3124.7162.753.3-80.4000108K207 W209 A278 G279F186-K207 HydrophobicContact CE1-CD 3.72Å; F186-K207 HydrophobicContact CE1-CG 3.76Å; F186-K207 HydrophobicContact CZ-CD 4.09Å; F186-K207 HydrophobicContact CZ-CG 4.24Å; F186-W209 HydrophobicContact CE2-CD2 4.08Å; F186-W209 AromaticContact CE2-CE3 3.59Å; F186-W209 HydrophobicContact CE2-CE3 3.59Å; F186-W209 HydrophobicContact CE2-CH2 4.42Å; F186-W209 AromaticContact CE2-CZ3 3.79Å; F186-W209 HydrophobicContact CE2-CZ3 3.79Å; F186-W209 AromaticContact CZ-CD2 3.72Å; F186-W209 HydrophobicContact CZ-CD2 3.72Å; F186-W209 AromaticContact CZ-CE3 3.74Å; F186-W209 HydrophobicContact CZ-CE3 3.74Å; F186-W209 HydrophobicContact CZ-CG 4.2Å; F186-W209 HydrophobicContact CZ-CH2 4.42Å; F186-W209 HydrophobicContact CZ-CZ2 4.42Å; F186-W209 HydrophobicContact CZ-CZ3 4.09Å; F186-A278 VanDerWaalsContact CE2-O 3.31Å; F186-A278 WeakPolarHBondContact CE2-O 3.47Å; F186-A278 WeakPolarHBondContact O-CA 3.35Å; F186-G279 WeakPolarHBondContact CD1-O 3.44Å; F186-G279 PolarHBondContact N-O 3.31Å; F186-G279 PolarHBondContact O-N 3.26Å
187A98.3Very high96.5Very high1 Ų19 Ų91%0.0084%0.041CC..EExtended strand (participates in β ladder)trans-75.9172.3-17300000112.2H189 K242 A244 L245 H277A187-H189 PolarHBondContact O-N 3.29Å; A187-H189 PolarHBondContact O-ND1 3.45Å; A187-K242 WeakPolarHBondContact CB-O 3.33Å; A187-A244 WeakPolarHBondContact CB-O 3.49Å; A187-L245 HydrophobicContact CB-CD2 3.58Å; A187-H277 VanDerWaalsContact O-O 3.1Å
188W98.6Very high96.5Very high1 Ų18.8 Ų8.80%0.0044%0.04CC..EExtended strand (participates in β ladder)trans-61.7119174.8-75.5105.7000110.9Y210 V212 L220 A244 I246 L251 Y276 H277 A278W188-Y210 VanDerWaalsContact CH2-CB 3.47Å; W188-Y210 HydrophobicContact CZ2-CG 4.41Å; W188-V212 HydrophobicContact CH2-CG2 3.88Å; W188-V212 HydrophobicContact CZ3-CB 4.43Å; W188-V212 HydrophobicContact CZ3-CG2 3.79Å; W188-L220 HydrophobicContact CD2-CD2 4.17Å; W188-L220 HydrophobicContact CE3-CD2 3.81Å; W188-L220 HydrophobicContact CZ3-CD2 4.32Å; W188-A244 PolarHBondContact N-O 3.49Å; W188-A244 VanDerWaalsContact N-O 3.08Å; W188-I246 PolarHBondContact NE1-O 3.46Å; W188-L251 HydrophobicContact CH2-CD1 3.97Å; W188-L251 HydrophobicContact CZ2-CD1 3.44Å; W188-L251 VanDerWaalsContact CZ2-CD1 3.44Å; W188-Y276 WeakPolarHBondContact CZ3-O 3.12Å; W188-H277 WeakPolarHBondContact CA-O 3.42Å; W188-A278 HydrophobicContact CB-CB 4.42Å; W188-A278 HydrophobicContact CD2-CB 3.48Å; W188-A278 VanDerWaalsContact CD2-CB 3.48Å; W188-A278 HydrophobicContact CE3-CB 3.88Å; W188-A278 HydrophobicContact CG-CB 3.74Å; W188-A278 HydrophobicContact CH2-CB 4.43Å; W188-A278 HydrophobicContact CZ2-CB 4.03Å; W188-A278 HydrophobicContact CZ3-CB 4.36Å
189H98.3Very high96.6Very high13 Ų137.2 Ų7.26%0.064%0.035CC..EExtended strand (participates in β ladder)trans-157.1166.5174.968-64.5000110.8A187 K242 Y276 H277A187-H189 PolarHBondContact O-N 3.29Å; A187-H189 PolarHBondContact O-ND1 3.45Å; H189-K242 HydrophobicContact CB-CG 4.04Å; H189-K242 VanDerWaalsContact CD2-CE 3.45Å; H189-K242 WeakPolarHBondContact CD2-CE 3.36Å; H189-Y276 WeakPolarHBondContact O-CA 3.16Å; H189-H277 AromaticContact CE1-CD2 3.74Å; H189-H277 AromaticContact CE1-NE2 3.23Å; H189-H277 PolarHBondContact CE1-NE2 2.79Å; H189-H277 PolarHBondContact N-O 3.18Å; H189-H277 VanDerWaalsContact N-O 3.13Å; H189-H277 AromaticContact ND1-NE2 3.94Å; H189-H277 AromaticContact NE2-CE1 3.98Å; H189-H277 AromaticContact NE2-NE2 3.44Å; H189-H277 PolarHBondContact NE2-NE2 3.29Å; H189-H277 PolarHBondContact O-N 3.49Å; H189-H277 PolarHBondContact O-ND1 3.33Å
190T97.7Very high96.6Very high2 Ų27.7 Ų7.71%0.0124%0.037CC..  trans-108.9165155.656.80000107.9D194 R240 Y274 Y276T190-D194 WeakPolarHBondContact CB-OD1 3.37Å; T190-D194 PolarHBondContact OG1-OD1 3Å; T190-R240 PolarHBondContact O-NH1 3.32Å; T190-R240 VanDerWaalsContact OG1-CZ 3.25Å; T190-R240 PolarHBondContact OG1-NH1 3.47Å; T190-R240 PolarHBondContact OG1-NH2 3.43Å; T190-Y274 VanDerWaalsContact CG2-C 3.47Å; T190-Y274 HydrophobicContact CG2-CD2 4.37Å; T190-Y276 HydrophobicContact CG2-CD1 3.83Å; T190-Y276 HydrophobicContact CG2-CD2 3.63Å; T190-Y276 HydrophobicContact CG2-CE1 4.03Å; T190-Y276 HydrophobicContact CG2-CE2 3.87Å; T190-Y276 HydrophobicContact CG2-CG 3.62Å
191E94.2Very high96.6Very high18 Ų187.7 Ų7.78%0.0844%0.037CC..  trans-62.9161.9179.5-59.5-59.1154.500112.6M193 D194 L195 S197 R240 H277 N291E191-M193 PolarHBondContact O-N 3.36Å; E191-D194 WeakPolarHBondContact O-CA 3.48Å; E191-D194 PolarHBondContact O-N 3.24Å; E191-L195 HydrophobicContact CB-CB 4.15Å; E191-L195 WeakPolarHBondContact CB-O 3.46Å; E191-L195 WeakPolarHBondContact CG-O 3.09Å; E191-S197 VanDerWaalsContact CD-CB 3.4Å; E191-S197 VanDerWaalsContact CD-OG 3.29Å; E191-S197 VanDerWaalsContact OE1-CB 3.25Å; E191-S197 WeakPolarHBondContact OE1-CB 3.46Å; E191-S197 PolarHBondContact OE1-OG 3.24Å; E191-R240 PolarHBondContact O-NH1 3.4Å; E191-H277 IonicContact OE1-CE1 3.56Å; E191-H277 PolarHBondContact OE1-CE1 3.44Å; E191-H277 IonicContact OE1-NE2 3.95Å; E191-H277 PolarHBondContact OE1-NE2 2.79Å; E191-N291 WeakPolarHBondContact CB-ND2 3.01Å; E191-N291 VanDerWaalsContact CD-ND2 3.29Å; E191-N291 WeakPolarHBondContact CG-ND2 3.47Å; E191-N291 PolarHBondContact OE2-ND2 3.23Å
192D88.6Confident96.6Very high28 Ų288 Ų815%0.154%0.039CC..G310 helixtrans-59.9134.7175.9-69.1-41.7000110.4D194 L195 V314D192-D194 PolarHBondContact O-N 3.34Å; D192-D194 VanDerWaalsContact O-N 3.1Å; D192-L195 WeakPolarHBondContact O-CB 3.4Å; D192-L195 WeakPolarHBondContact O-CD1 3.37Å; D192-L195 WeakPolarHBondContact O-CG 3.49Å; D192-L195 PolarHBondContact O-N 2.99Å; D192-V314 HydrophobicContact CB-CB 4.11Å; D192-V314 HydrophobicContact CB-CG1 4Å
193M89.1Confident96.6Very high9 Ų98.7 Ų8.74%0.0444%0.042CC..G310 helixtrans52.726.8-171-60.1-60.7-64.800114E191 L195 W297 G301 A304 Q306 F316 M318E191-M193 PolarHBondContact O-N 3.36Å; M193-L195 PolarHBondContact O-N 3.36Å; M193-W297 HydrophobicContact CB-CZ2 4.21Å; M193-W297 PolarHBondContact O-NE1 2.9Å; M193-G301 VanDerWaalsContact CE-O 3.26Å; M193-G301 WeakPolarHBondContact CE-O 3.46Å; M193-A304 HydrophobicContact CE-CB 4.3Å; M193-Q306 HydrophobicContact SD-CG 4.18Å; M193-F316 HydrophobicContact CB-CE1 3.82Å; M193-F316 HydrophobicContact CB-CZ 3.74Å; M193-F316 HydrophobicContact CG-CD1 3.93Å; M193-F316 HydrophobicContact CG-CE1 3.43Å; M193-F316 VanDerWaalsContact CG-CE1 3.43Å; M193-F316 HydrophobicContact CG-CE2 4.38Å; M193-F316 HydrophobicContact CG-CZ 3.7Å; M193-M318 HydrophobicContact CE-CG 4.1Å; M193-M318 HydrophobicContact CE-SD 4.18Å
194D94.3Very high96.6Very high6 Ų610.2 Ų10.23%0.0326%0.059CC..G310 helixtrans54.532.5-178.3-66.1-44.7000113.7T190 E191 D192 R240 P273 W297 A304T190-D194 WeakPolarHBondContact CB-OD1 3.37Å; T190-D194 PolarHBondContact OG1-OD1 3Å; E191-D194 WeakPolarHBondContact O-CA 3.48Å; E191-D194 PolarHBondContact O-N 3.24Å; D192-D194 PolarHBondContact O-N 3.34Å; D192-D194 VanDerWaalsContact O-N 3.1Å; D194-R240 VanDerWaalsContact CG-NH2 3.28Å; D194-R240 IonicContact OD1-CZ 2.73Å; D194-R240 IonicContact OD1-NH1 2.93Å; D194-R240 IonicContact OD1-NH2 3.36Å; D194-R240 PolarHBondContact OD1-NH2 3.12Å; D194-R240 IonicContact OD2-NH2 3.79Å; D194-R240 PolarHBondContact OD2-NH2 2.83Å; D194-P273 WeakPolarHBondContact O-CA 3.45Å; D194-P273 VanDerWaalsContact O-CB 3.24Å; D194-P273 WeakPolarHBondContact O-CB 3.38Å; D194-W297 PolarHBondContact O-NE1 2.79Å; D194-A304 HydrophobicContact CB-CB 4.29Å; D194-A304 WeakPolarHBondContact OD2-CA 3.5Å; D194-A304 WeakPolarHBondContact OD2-CB 3.28Å
195L93Very high96.6Very high1 Ų114.6 Ų14.61%0.0058%0.08CC..  trans-60.8169.5175-79.2165.8000113.2V172 E191 D192 M193 N291 F292 A293 W297 F316V172-L195 HydrophobicContact CG1-CD1 3.53Å; E191-L195 HydrophobicContact CB-CB 4.15Å; E191-L195 WeakPolarHBondContact CB-O 3.46Å; E191-L195 WeakPolarHBondContact CG-O 3.09Å; D192-L195 WeakPolarHBondContact O-CB 3.4Å; D192-L195 WeakPolarHBondContact O-CD1 3.37Å; D192-L195 WeakPolarHBondContact O-CG 3.49Å; D192-L195 PolarHBondContact O-N 2.99Å; M193-L195 PolarHBondContact O-N 3.36Å; L195-N291 HydrophobicContact CB-CB 4.08Å; L195-N291 HydrophobicContact CD1-CB 3.88Å; L195-F292 WeakPolarHBondContact CD2-O 3.37Å; L195-A293 HydrophobicContact CD2-CB 3.74Å; L195-W297 HydrophobicContact CD2-CD2 3.59Å; L195-W297 HydrophobicContact CD2-CE3 4.14Å; L195-W297 HydrophobicContact CD2-CG 4.07Å; L195-W297 HydrophobicContact CD2-CH2 4.03Å; L195-W297 HydrophobicContact CD2-CZ2 3.49Å; L195-W297 VanDerWaalsContact CD2-CZ2 3.49Å; L195-W297 HydrophobicContact CD2-CZ3 4.33Å; L195-W297 HydrophobicContact CG-CD2 4.49Å; L195-W297 HydrophobicContact CG-CZ2 3.86Å; L195-F316 HydrophobicContact CD1-CE1 4.1Å; L195-F316 HydrophobicContact CD1-CZ 4.01Å
196Y95.6Very high96.6Very high0 Ų015.2 Ų15.20%08%0.083CC..EExtended strand (participates in β ladder)trans-73.4159.1159.5-61.1-109.8000109.3E36 T271 F272 P273 N291 F292 T294 R296 W297E36-Y196 WeakPolarHBondContact OE1-CE1 3.45Å; E36-Y196 PolarHBondContact OE1-OH 3.5Å; Y196-T271 WeakPolarHBondContact CA-O 3.08Å; Y196-T271 WeakPolarHBondContact CB-O 3.38Å; Y196-F272 AromaticContact CD1-CD1 3.93Å; Y196-F272 HydrophobicContact CD1-CD1 3.93Å; Y196-F272 HydrophobicContact CD1-CE1 4.5Å; Y196-F272 HydrophobicContact CD1-CG 4.4Å; Y196-F272 HydrophobicContact CE1-CB 4.46Å; Y196-F272 AromaticContact CE1-CD1 3.41Å; Y196-F272 HydrophobicContact CE1-CD1 3.41Å; Y196-F272 VanDerWaalsContact CE1-CD1 3.41Å; Y196-F272 AromaticContact CE1-CE1 3.99Å; Y196-F272 HydrophobicContact CE1-CE1 3.99Å; Y196-F272 HydrophobicContact CE1-CG 4.24Å; Y196-P273 HydrophobicContact CD1-CG 4.39Å; Y196-P273 HydrophobicContact CD2-CG 3.55Å; Y196-P273 HydrophobicContact CE1-CG 4.15Å; Y196-P273 VanDerWaalsContact CE2-CD 3.42Å; Y196-P273 HydrophobicContact CE2-CG 3.23Å; Y196-P273 HydrophobicContact CG-CG 4.1Å; Y196-N291 WeakPolarHBondContact O-CA 3.42Å; Y196-N291 WeakPolarHBondContact O-CB 3.38Å; Y196-N291 PolarHBondContact O-ND2 3.11Å; Y196-F292 VanDerWaalsContact CB-CE1 3.41Å; Y196-F292 WeakPolarHBondContact CB-O 3.15Å; Y196-F292 HydrophobicContact CD1-CE1 4.49Å; Y196-F292 AromaticContact CD1-CE2 3.87Å; Y196-F292 HydrophobicContact CD1-CE2 3.87Å; Y196-F292 AromaticContact CD1-CZ 3.67Å; Y196-F292 HydrophobicContact CD1-CZ 3.67Å; Y196-F292 HydrophobicContact CD2-CE2 4.29Å; Y196-F292 HydrophobicContact CG-CD2 4.25Å; Y196-F292 HydrophobicContact CG-CE1 4.27Å; Y196-F292 AromaticContact CG-CE2 3.71Å; Y196-F292 HydrophobicContact CG-CE2 3.71Å; Y196-F292 AromaticContact CG-CZ 3.72Å; Y196-F292 HydrophobicContact CG-CZ 3.72Å; Y196-F292 PolarHBondContact N-O 2.78Å; Y196-F292 VanDerWaalsContact N-O 3.12Å; Y196-F292 PolarHBondContact O-N 2.64Å; Y196-T294 HydrophobicContact CD2-CG2 4.22Å; Y196-T294 HydrophobicContact CE1-CG2 4.43Å; Y196-T294 HydrophobicContact CE2-CG2 3.75Å; Y196-T294 VanDerWaalsContact CE2-OG1 3.29Å; Y196-T294 WeakPolarHBondContact CE2-OG1 3.48Å; Y196-T294 PolarHBondContact OH-OG1 3.28Å; Y196-T294 VanDerWaalsContact OH-OG1 3.11Å; Y196-R296 PolarHBondContact OH-NE 3.48Å; Y196-R296 VanDerWaalsContact OH-NE 3.11Å; Y196-R296 PolarHBondContact OH-NH2 3Å; Y196-W297 HydrophobicContact CD2-CB 4.11Å; Y196-W297 HydrophobicContact CE2-CB 3.68Å
197S96.1Very high96.6Very high6 Ų614 Ų144%0.0428%0.078CC..EExtended strand (participates in β ladder)trans-132.4151.5158.8670000111.4E191 V270 T271 I290E191-S197 VanDerWaalsContact CD-CB 3.4Å; E191-S197 VanDerWaalsContact CD-OG 3.29Å; E191-S197 VanDerWaalsContact OE1-CB 3.25Å; E191-S197 WeakPolarHBondContact OE1-CB 3.46Å; E191-S197 PolarHBondContact OE1-OG 3.24Å; S197-V270 CarbonylContact O-C 3.02Å; S197-V270 WeakPolarHBondContact O-CA 3.39Å; S197-T271 PolarHBondContact N-O 2.96Å; S197-T271 PolarHBondContact N-OG1 2.68Å; S197-T271 PolarHBondContact O-N 3.06Å; S197-T271 WeakPolarHBondContact OG-CG2 3.49Å; S197-T271 PolarHBondContact OG-OG1 3.16Å; S197-I290 WeakPolarHBondContact CA-O 3.39Å
198I97.4Very high96.7Very high0 Ų014.1 Ų14.10%08%0.079CC..EExtended strand (participates in β ladder)trans-117.7136.5167.6-175.3172.3000108.8F28 W149 V151 L154 F268 M269 V270 A289 I290 F292F28-I198 HydrophobicContact CE2-CD1 3.76Å; F28-I198 HydrophobicContact CZ-CD1 4.34Å; W149-I198 HydrophobicContact CE3-CD1 3.65Å; W149-I198 HydrophobicContact CZ3-CD1 3.84Å; V151-I198 HydrophobicContact CG1-CG2 4.42Å; V151-I198 HydrophobicContact CG2-CG2 4.35Å; L154-I198 HydrophobicContact CD1-CG2 3.69Å; I198-F268 HydrophobicContact CD1-CD1 3.53Å; I198-F268 HydrophobicContact CD1-CE1 3.94Å; I198-F268 HydrophobicContact CD1-CG 4.41Å; I198-F268 HydrophobicContact CG1-CD1 3.79Å; I198-F268 HydrophobicContact CG1-CE1 4.5Å; I198-M269 CarbonylContact C-O 3.51Å; I198-M269 WeakPolarHBondContact CA-O 3.22Å; I198-V270 HydrophobicContact CG1-CG2 4.29Å; I198-A289 WeakPolarHBondContact O-CA 3.26Å; I198-A289 WeakPolarHBondContact O-CB 3.36Å; I198-I290 HydrophobicContact CG2-CG2 3.71Å; I198-I290 PolarHBondContact N-O 3.02Å; I198-I290 PolarHBondContact O-N 3.3Å; I198-F292 HydrophobicContact CB-CD1 4.24Å; I198-F292 HydrophobicContact CB-CE1 4Å; I198-F292 HydrophobicContact CG2-CD1 4.16Å; I198-F292 HydrophobicContact CG2-CE1 4.41Å
199N98.5Very high96.7Very high11 Ų1114.5 Ų14.56%0.0598%0.08CC..EExtended strand (participates in β ladder)trans-128120.9178.3-177.9-78000109.6W209 Q263 F268 M269 E288 A289N199-W209 HydrophobicContact CB-CH2 4.04Å; N199-W209 HydrophobicContact CB-CZ2 4Å; N199-Q263 PolarHBondContact O-NE2 3.39Å; N199-Q263 PolarHBondContact OD1-NE2 3.03Å; N199-Q263 VanDerWaalsContact OD1-NE2 3.12Å; N199-Q263 PolarHBondContact OD1-OE1 2.9Å; N199-F268 CarbonylContact O-C 3.6Å; N199-F268 VanDerWaalsContact O-CA 3.28Å; N199-F268 WeakPolarHBondContact O-CA 3.42Å; N199-M269 HydrophobicContact CB-CB 4.35Å; N199-M269 PolarHBondContact N-O 3.49Å; N199-M269 PolarHBondContact O-N 3.17Å; N199-E288 CarbonylContact C-O 3.57Å; N199-E288 WeakPolarHBondContact CA-O 3.33Å; N199-A289 HydrophobicContact CB-CB 4.18Å
200Y98.7Very high96.7Very high11 Ų1114 Ų144%0.0438%0.078CC..EExtended strand (participates in β ladder)trans-106.4124.1173.4-177.9-110.9000110.4W54 A56 F142 H202 G266 F268 A287 E288W54-Y200 HydrophobicContact CH2-CD2 4.4Å; W54-Y200 HydrophobicContact CH2-CE1 4.45Å; W54-Y200 AromaticContact CH2-CE2 3.84Å; W54-Y200 HydrophobicContact CH2-CE2 3.84Å; W54-Y200 AromaticContact CH2-CZ 3.86Å; W54-Y200 HydrophobicContact CZ3-CD2 4.48Å; W54-Y200 AromaticContact CZ3-CE2 3.56Å; W54-Y200 HydrophobicContact CZ3-CE2 3.56Å; W54-Y200 AromaticContact CZ3-CZ 3.63Å; W54-Y200 WeakPolarHBondContact CZ3-OH 3.31Å; A56-Y200 HydrophobicContact CB-CD1 4.2Å; A56-Y200 HydrophobicContact CB-CE1 3.45Å; A56-Y200 VanDerWaalsContact CB-CE1 3.45Å; F142-Y200 HydrophobicContact CE2-CD1 4.05Å; F142-Y200 AromaticContact CZ-CD1 3.76Å; F142-Y200 HydrophobicContact CZ-CD1 3.76Å; F142-Y200 HydrophobicContact CZ-CE1 4.37Å; F142-Y200 AromaticContact CZ-CG 4Å; F142-Y200 HydrophobicContact CZ-CG 4Å; Y200-H202 AromaticContact CD1-CD2 3.86Å; Y200-H202 AromaticContact CD1-CE1 3.56Å; Y200-H202 AromaticContact CD1-CG 3.78Å; Y200-H202 AromaticContact CD1-ND1 3.6Å; Y200-H202 AromaticContact CD1-NE2 3.72Å; Y200-H202 HydrophobicContact CE1-CB 4.4Å; Y200-H202 AromaticContact CE1-CE1 3.78Å; Y200-H202 AromaticContact CE1-CG 3.89Å; Y200-H202 AromaticContact CE1-ND1 3.46Å; Y200-H202 WeakPolarHBondContact CE1-ND1 3.37Å; Y200-H202 PolarHBondContact O-N 3.34Å; Y200-G266 WeakPolarHBondContact CE2-O 3.2Å; Y200-F268 AromaticContact CD2-CD1 3.67Å; Y200-F268 HydrophobicContact CD2-CD1 3.67Å; Y200-F268 AromaticContact CD2-CD2 3.69Å; Y200-F268 HydrophobicContact CD2-CD2 3.69Å; Y200-F268 AromaticContact CD2-CE1 3.5Å; Y200-F268 HydrophobicContact CD2-CE1 3.5Å; Y200-F268 VanDerWaalsContact CD2-CE1 3.5Å; Y200-F268 AromaticContact CD2-CE2 3.46Å; Y200-F268 HydrophobicContact CD2-CE2 3.46Å; Y200-F268 VanDerWaalsContact CD2-CE2 3.46Å; Y200-F268 AromaticContact CD2-CG 3.79Å; Y200-F268 HydrophobicContact CD2-CG 3.79Å; Y200-F268 AromaticContact CD2-CZ 3.4Å; Y200-F268 HydrophobicContact CD2-CZ 3.4Å; Y200-F268 HydrophobicContact CE2-CD2 4.1Å; Y200-F268 HydrophobicContact CE2-CE1 4.42Å; Y200-F268 AromaticContact CE2-CE2 3.67Å; Y200-F268 HydrophobicContact CE2-CE2 3.67Å; Y200-F268 AromaticContact CE2-CZ 3.89Å; Y200-F268 HydrophobicContact CE2-CZ 3.89Å; Y200-F268 HydrophobicContact CG-CD1 4.1Å; Y200-F268 AromaticContact CG-CE1 3.78Å; Y200-F268 HydrophobicContact CG-CE1 3.78Å; Y200-F268 HydrophobicContact CG-CE2 4.47Å; Y200-F268 AromaticContact CG-CZ 3.99Å; Y200-F268 HydrophobicContact CG-CZ 3.99Å; Y200-A287 CarbonylContact O-C 3.27Å; Y200-A287 WeakPolarHBondContact O-CA 3.3Å; Y200-E288 PolarHBondContact N-O 3.03Å; Y200-E288 PolarHBondContact O-N 3.47Å
201L98.8Very high96.8Very high0 Ų013.9 Ų13.90%08%0.077CC..EExtended strand (participates in β ladder)trans-87.497.4176.3-170.263000109.5F203 Q263 A265 G266 E267 N285 A287L201-F203 PolarHBondContact O-N 2.88Å; L201-Q263 HydrophobicContact CB-CG 4.1Å; L201-Q263 HydrophobicContact CD2-CG 4.29Å; L201-Q263 WeakPolarHBondContact CD2-O 3.42Å; L201-A265 WeakPolarHBondContact O-CA 3.36Å; L201-G266 PolarHBondContact O-N 3.26Å; L201-E267 PolarHBondContact N-O 2.91Å; L201-E267 VanDerWaalsContact N-O 3.15Å; L201-N285 HydrophobicContact CD1-CB 4.1Å; L201-A287 HydrophobicContact CD1-CB 3.94Å
202H98.6Very high97Very high7 Ų713 Ų133%0.0327%0.073CC..EExtended strand (participates in β ladder)trans-59.5-48.8-174.3-84.8-75.4000113.9Y60 F142 Y200 C286 E288Y60-H202 HydrophobicContact CE1-CB 3.52Å; Y60-H202 AromaticContact CE1-CG 3.73Å; Y60-H202 AromaticContact CE1-ND1 3.47Å; Y60-H202 WeakPolarHBondContact CE1-ND1 3.44Å; Y60-H202 AromaticContact CZ-CG 4Å; Y60-H202 AromaticContact CZ-ND1 3.59Å; Y60-H202 WeakPolarHBondContact OH-CA 3.36Å; Y60-H202 WeakPolarHBondContact OH-CB 3.21Å; Y60-H202 PolarHBondContact OH-ND1 3.1Å; Y60-H202 PolarHBondContact OH-O 3.49Å; Y60-H202 VanDerWaalsContact OH-O 3.09Å; F142-H202 AromaticContact CD2-CE1 3.67Å; F142-H202 AromaticContact CD2-NE2 3.88Å; F142-H202 AromaticContact CE2-CE1 3.52Å; F142-H202 AromaticContact CE2-NE2 3.56Å; Y200-H202 AromaticContact CD1-CD2 3.86Å; Y200-H202 AromaticContact CD1-CE1 3.56Å; Y200-H202 AromaticContact CD1-CG 3.78Å; Y200-H202 AromaticContact CD1-ND1 3.6Å; Y200-H202 AromaticContact CD1-NE2 3.72Å; Y200-H202 HydrophobicContact CE1-CB 4.4Å; Y200-H202 AromaticContact CE1-CE1 3.78Å; Y200-H202 AromaticContact CE1-CG 3.89Å; Y200-H202 AromaticContact CE1-ND1 3.46Å; Y200-H202 WeakPolarHBondContact CE1-ND1 3.37Å; Y200-H202 PolarHBondContact O-N 3.34Å; H202-C286 WeakPolarHBondContact CB-O 3.38Å; H202-C286 PolarHBondContact N-O 3.31Å; H202-E288 IonicContact CE1-OE2 3.26Å; H202-E288 VanDerWaalsContact NE2-CB 3.27Å; H202-E288 WeakPolarHBondContact NE2-CB 3.48Å; H202-E288 IonicContact NE2-OE2 3.55Å; H202-E288 PolarHBondContact NE2-OE2 2.95Å; H202-E288 VanDerWaalsContact NE2-OE2 3.11Å
203F98.6Very high97.4Very high32 Ų3211.9 Ų11.914%0.147%0.067CC..EExtended strand (participates in β ladder)trans-162.7171.5-178.663.4-97.1000111.7Y60 I63 L141 L201 F284 N285 C286Y60-F203 AromaticContact CD1-CD1 3.31Å; Y60-F203 HydrophobicContact CD1-CD1 3.31Å; Y60-F203 AromaticContact CD1-CE1 3.57Å; Y60-F203 HydrophobicContact CD1-CE1 3.57Å; Y60-F203 HydrophobicContact CD1-CG 4.47Å; Y60-F203 HydrophobicContact CD2-CB 4.34Å; Y60-F203 HydrophobicContact CD2-CD1 4.02Å; Y60-F203 AromaticContact CE1-CD1 3.61Å; Y60-F203 HydrophobicContact CE1-CD1 3.61Å; Y60-F203 HydrophobicContact CE1-CE1 4.1Å; Y60-F203 HydrophobicContact CE2-CB 4.35Å; Y60-F203 HydrophobicContact CE2-CD1 4.26Å; Y60-F203 AromaticContact CG-CD1 3.55Å; Y60-F203 HydrophobicContact CG-CD1 3.55Å; Y60-F203 HydrophobicContact CG-CE1 4.05Å; Y60-F203 HydrophobicContact CG-CG 4.37Å; I63-F203 HydrophobicContact CD1-CD1 4.32Å; I63-F203 HydrophobicContact CD1-CE1 3.2Å; I63-F203 HydrophobicContact CD1-CE2 4.27Å; I63-F203 HydrophobicContact CD1-CZ 3.17Å; L141-F203 HydrophobicContact CD1-CE1 4.38Å; L201-F203 PolarHBondContact O-N 2.88Å; F203-F284 HydrophobicContact CD2-CE1 4.4Å; F203-F284 HydrophobicContact CE2-CD1 4.45Å; F203-F284 AromaticContact CE2-CE1 3.61Å; F203-F284 HydrophobicContact CE2-CE1 3.61Å; F203-F284 AromaticContact CE2-CZ 3.79Å; F203-F284 HydrophobicContact CE2-CZ 3.79Å; F203-F284 HydrophobicContact CZ-CZ 4.32Å; F203-N285 WeakPolarHBondContact O-CA 3.46Å; F203-N285 WeakPolarHBondContact O-CB 3.32Å; F203-C286 HydrophobicContact CD1-CB 3.97Å; F203-C286 HydrophobicContact CD2-CB 4.35Å; F203-C286 HydrophobicContact CE1-CB 3.29Å; F203-C286 HydrophobicContact CE2-CB 3.71Å; F203-C286 HydrophobicContact CG-CB 4.46Å; F203-C286 HydrophobicContact CZ-CB 3.13Å; F203-C286 PolarHBondContact O-N 2.97Å; F203-C286 VanDerWaalsContact O-N 3.12Å
204G98.4Very high97.9Very high37 Ų3711.6 Ų11.638%0.3817%0.066SC..EExtended strand (participates in β ladder)trans92.2-155.4169.900000112.9F284G204-F284 WeakPolarHBondContact CA-O 3.48Å
205Q98.8Very high98Very high93 Ų9314.3 Ų14.344%0.4358%0.079SC..SBendtrans-74.4153.8-175-63.8-61.7-34.800112.7H282 F284 N285Q205-H282 HydrophobicContact CB-CB 4.09Å; Q205-F284 PolarHBondContact N-O 2.79Å; Q205-N285 WeakPolarHBondContact O-CB 3.41Å; Q205-N285 PolarHBondContact O-ND2 2.98Å
206P98.9Very high98.2Very high15 Ų1516.5 Ų16.510%0.0979%0.089CC..  trans-62.3169.8-176.8-22.633.5000115.2F115 T262 Q263 E264 H282F115-P206 HydrophobicContact CE1-CG 4.15Å; F115-P206 HydrophobicContact CZ-CG 4.18Å; P206-T262 HydrophobicContact CB-CG2 3.48Å; P206-T262 VanDerWaalsContact CB-CG2 3.48Å; P206-T262 HydrophobicContact CG-CG2 4.41Å; P206-Q263 CarbonylContact C-O 3.56Å; P206-Q263 VanDerWaalsContact CA-O 3.23Å; P206-Q263 WeakPolarHBondContact CA-O 3.11Å; P206-Q263 VanDerWaalsContact CB-O 3.27Å; P206-Q263 WeakPolarHBondContact CB-O 3.16Å; P206-E264 HydrophobicContact CB-CG 4.49Å; P206-E264 HydrophobicContact CG-CG 4.35Å; P206-H282 HydrophobicContact CB-CB 4.49Å; P206-H282 VanDerWaalsContact O-CB 3.29Å; P206-H282 WeakPolarHBondContact O-CB 3.37Å; P206-H282 PolarHBondContact O-CD2 3.06Å; P206-H282 PolarHBondContact O-N 2.78Å
207K98.9Very high98.3Very high3 Ų316.5 Ų16.51%0.0139%0.089CC..EExtended strand (participates in β ladder)trans-127.2121.9174.4-173.8-169.3-58.6-74.60109.5F186 W209 T262 Q263 N281F186-K207 HydrophobicContact CE1-CD 3.72Å; F186-K207 HydrophobicContact CE1-CG 3.76Å; F186-K207 HydrophobicContact CZ-CD 4.09Å; F186-K207 HydrophobicContact CZ-CG 4.24Å; K207-W209 VanDerWaalsContact CD-CE2 3.49Å; K207-W209 HydrophobicContact CD-CH2 4.5Å; K207-W209 HydrophobicContact CD-CZ2 3.5Å; K207-W209 VanDerWaalsContact CD-CZ2 3.5Å; K207-T262 CarbonylContact O-C 3.58Å; K207-T262 WeakPolarHBondContact O-CA 3.39Å; K207-Q263 HydrophobicContact CB-CB 4.49Å; K207-Q263 PolarHBondContact N-O 3Å; K207-Q263 PolarHBondContact O-N 2.84Å; K207-N281 PolarHBondContact NZ-OD1 3.08Å
208T98.9Very high98.3Very high3 Ų323.5 Ų23.52%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-85.3136.8172.3-70.50000109.9Y210 R260 T262 G279 F280 H282T208-Y210 HydrophobicContact CG2-CE1 4.28Å; T208-Y210 HydrophobicContact CG2-CE2 4.3Å; T208-R260 HydrophobicContact CG2-CG 4.3Å; T208-T262 PolarHBondContact OG1-OG1 3.15Å; T208-G279 CarbonylContact O-C 3.54Å; T208-G279 WeakPolarHBondContact O-CA 3.36Å; T208-F280 HydrophobicContact CG2-CD1 4.37Å; T208-F280 HydrophobicContact CG2-CE1 3.72Å; T208-F280 HydrophobicContact CG2-CZ 4.17Å; T208-F280 PolarHBondContact N-O 3.14Å; T208-F280 PolarHBondContact O-N 3.28Å; T208-H282 PolarHBondContact OG1-NE2 3.08Å
209W98.9Very high98.3Very high10 Ų1028.3 Ų28.34%0.03813%0.132CC..EExtended strand (participates in β ladder)trans-119.7141.9176.4-62.777.3000110.7L45 F186 N199 K207 R260 I261 M269 T271 H277 A278L45-W209 HydrophobicContact CD1-CE3 4.1Å; L45-W209 HydrophobicContact CD1-CZ3 4.49Å; L45-W209 HydrophobicContact CD2-CB 3.63Å; L45-W209 HydrophobicContact CD2-CD2 4.44Å; L45-W209 HydrophobicContact CD2-CE3 4.36Å; L45-W209 HydrophobicContact CD2-CG 4.18Å; F186-W209 HydrophobicContact CE2-CD2 4.08Å; F186-W209 AromaticContact CE2-CE3 3.59Å; F186-W209 HydrophobicContact CE2-CE3 3.59Å; F186-W209 HydrophobicContact CE2-CH2 4.42Å; F186-W209 AromaticContact CE2-CZ3 3.79Å; F186-W209 HydrophobicContact CE2-CZ3 3.79Å; F186-W209 AromaticContact CZ-CD2 3.72Å; F186-W209 HydrophobicContact CZ-CD2 3.72Å; F186-W209 AromaticContact CZ-CE3 3.74Å; F186-W209 HydrophobicContact CZ-CE3 3.74Å; F186-W209 HydrophobicContact CZ-CG 4.2Å; F186-W209 HydrophobicContact CZ-CH2 4.42Å; F186-W209 HydrophobicContact CZ-CZ2 4.42Å; F186-W209 HydrophobicContact CZ-CZ3 4.09Å; N199-W209 HydrophobicContact CB-CH2 4.04Å; N199-W209 HydrophobicContact CB-CZ2 4Å; K207-W209 VanDerWaalsContact CD-CE2 3.49Å; K207-W209 HydrophobicContact CD-CH2 4.5Å; K207-W209 HydrophobicContact CD-CZ2 3.5Å; K207-W209 VanDerWaalsContact CD-CZ2 3.5Å; W209-R260 WeakPolarHBondContact O-CA 3.45Å; W209-I261 HydrophobicContact CB-CG2 4.03Å; W209-I261 PolarHBondContact N-O 3.41Å; W209-I261 PolarHBondContact O-N 2.82Å; W209-M269 HydrophobicContact CG-CE 4.36Å; W209-M269 HydrophobicContact CZ2-CB 4.06Å; W209-M269 HydrophobicContact CZ2-CG 4.14Å; W209-T271 HydrophobicContact CZ3-CG2 4.12Å; W209-H277 HydrophobicContact CE3-CB 4.5Å; W209-H277 AromaticContact CZ3-CD2 3.66Å; W209-A278 CarbonylContact C-O 3.57Å; W209-A278 WeakPolarHBondContact CA-O 3.46Å
210Y98.9Very high98.3Very high1 Ų127.8 Ų27.80%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-114.5141.7163.3-52.7-72.6000108.3E119 W123 W188 T208 P248 F258 G259 R260 H277 A278 F280E119-Y210 VanDerWaalsContact CD-OH 3.3Å; E119-Y210 WeakPolarHBondContact CG-OH 3.47Å; E119-Y210 WeakPolarHBondContact OE1-CE1 3.39Å; E119-Y210 PolarHBondContact OE1-OH 3.2Å; W123-Y210 AromaticContact CZ2-CE2 3.8Å; W123-Y210 HydrophobicContact CZ2-CE2 3.8Å; W123-Y210 AromaticContact NE1-CZ 3.79Å; W123-Y210 PolarHBondContact NE1-OH 3.11Å; W188-Y210 VanDerWaalsContact CH2-CB 3.47Å; W188-Y210 HydrophobicContact CZ2-CG 4.41Å; T208-Y210 HydrophobicContact CG2-CE1 4.28Å; T208-Y210 HydrophobicContact CG2-CE2 4.3Å; Y210-P248 HydrophobicContact CD1-CG 3.91Å; Y210-P248 HydrophobicContact CE1-CB 4.45Å; Y210-P248 HydrophobicContact CE1-CG 3.31Å; Y210-P248 HydrophobicContact CE2-CG 4.36Å; Y210-F258 HydrophobicContact CD1-CD2 4.3Å; Y210-F258 HydrophobicContact CD1-CE2 4.32Å; Y210-G259 VanDerWaalsContact CA-O 3.3Å; Y210-G259 WeakPolarHBondContact CA-O 3.22Å; Y210-R260 HydrophobicContact CD1-CB 4.12Å; Y210-R260 HydrophobicContact CD1-CG 4.08Å; Y210-R260 HydrophobicContact CE1-CB 4.27Å; Y210-R260 HydrophobicContact CE1-CG 3.81Å; Y210-H277 WeakPolarHBondContact O-CA 3.42Å; Y210-H277 VanDerWaalsContact O-CB 3.31Å; Y210-H277 WeakPolarHBondContact O-CB 3.18Å; Y210-A278 PolarHBondContact N-O 3.47Å; Y210-A278 PolarHBondContact O-N 3.13Å; Y210-F280 HydrophobicContact CE2-CD1 4.37Å; Y210-F280 HydrophobicContact CE2-CE1 4.38Å
211A98.8Very high98.3Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-137.3135.4176.400000110.9I15 L45 F258 G259 Y276I15-A211 HydrophobicContact CD1-CB 4.35Å; L45-A211 HydrophobicContact CB-CB 3.52Å; L45-A211 HydrophobicContact CD2-CB 3.91Å; L45-A211 HydrophobicContact CG-CB 4.36Å; A211-F258 CarbonylContact O-C 3.51Å; A211-F258 WeakPolarHBondContact O-CA 3.29Å; A211-F258 WeakPolarHBondContact O-CB 3.46Å; A211-G259 PolarHBondContact N-O 2.8Å; A211-G259 PolarHBondContact O-N 3.44Å; A211-Y276 CarbonylContact C-O 3.02Å; A211-Y276 VanDerWaalsContact CA-O 3.28Å; A211-Y276 WeakPolarHBondContact CA-O 3.43Å
212V98.8Very high98.3Very high0 Ų035.3 Ų35.30%016%0.159CC..EExtended strand (participates in β ladder)trans-100.9128.4169.4171.60000107.8W188 H216 L220 I256 F258 Y276W188-V212 HydrophobicContact CH2-CG2 3.88Å; W188-V212 HydrophobicContact CZ3-CB 4.43Å; W188-V212 HydrophobicContact CZ3-CG2 3.79Å; V212-H216 HydrophobicContact CG1-CB 4.01Å; V212-L220 HydrophobicContact CB-CD2 4.47Å; V212-L220 HydrophobicContact CG1-CB 4.49Å; V212-L220 HydrophobicContact CG2-CD2 4.13Å; V212-I256 HydrophobicContact CG1-CG2 4.27Å; V212-I256 HydrophobicContact CG2-CG2 4Å; V212-F258 HydrophobicContact CG2-CB 4.07Å; V212-Y276 PolarHBondContact N-O 3.23Å
213P98.6Very high98.3Very high5 Ų535.3 Ų35.33%0.03216%0.159CC..  trans-48.8137.3174.3-32.639.1000112.1C13 R42 E215 H216 G217 P257C13-P213 HydrophobicContact CB-CB 3.99Å; C13-P213 HydrophobicContact CB-CG 3.65Å; R42-P213 WeakPolarHBondContact O-CA 3.46Å; R42-P213 VanDerWaalsContact O-CB 3.25Å; R42-P213 WeakPolarHBondContact O-CB 3.43Å; P213-E215 HydrophobicContact CB-CG 3.86Å; P213-E215 PolarHBondContact O-N 2.94Å; P213-H216 CarbonylContact O-C 3.57Å; P213-H216 WeakPolarHBondContact O-CA 3.11Å; P213-H216 PolarHBondContact O-N 2.66Å; P213-G217 PolarHBondContact O-N 2.65Å; P213-P257 WeakPolarHBondContact CD-O 3.39Å
214P98Very high98.2Very high2 Ų233.8 Ų33.81%0.01315%0.153CC..G310 helixtrans-54.1-37.4178.6-27.234.9000112.8R42 H216 G217 Y274 H344R42-P214 VanDerWaalsContact O-CD 3.32Å; R42-P214 WeakPolarHBondContact O-CD 3.38Å; P214-H216 PolarHBondContact O-N 3.04Å; P214-G217 PolarHBondContact O-N 2.8Å; P214-Y274 HydrophobicContact CB-CD1 4.33Å; P214-Y274 WeakPolarHBondContact O-CD1 3.43Å; P214-H344 HydrophobicContact CB-CB 4.33Å
215E96.3Very high98.2Very high64 Ų6437.8 Ų37.830%0.29916%0.156SC..G310 helixtrans-59.9-13174.257-177-97.900114.7C13 R42 P213 H344C13-E215 PolarHBondContact SG-OE2 2.77Å; R42-E215 IonicContact CZ-OE2 2.79Å; R42-E215 IonicContact NE-OE2 3.73Å; R42-E215 PolarHBondContact NE-OE2 3.41Å; R42-E215 IonicContact NH2-OE1 2.61Å; R42-E215 IonicContact NH2-OE2 3.63Å; R42-E215 PolarHBondContact NH2-OE2 3.18Å; P213-E215 HydrophobicContact CB-CG 3.86Å; P213-E215 PolarHBondContact O-N 2.94Å; E215-H344 HydrophobicContact CB-CB 4.09Å
216H97.5Very high98.1Very high47 Ų4739.4 Ų39.422%0.21816%0.163CC..G310 helixtrans-118.73.8176.9-61.7-46.2000113.9V212 P213 P214 R218 R219 L220 P257V212-H216 HydrophobicContact CG1-CB 4.01Å; P213-H216 CarbonylContact O-C 3.57Å; P213-H216 WeakPolarHBondContact O-CA 3.11Å; P213-H216 PolarHBondContact O-N 2.66Å; P214-H216 PolarHBondContact O-N 3.04Å; H216-R218 VanDerWaalsContact C-N 3.32Å; H216-R218 PolarHBondContact O-N 3.28Å; H216-R219 WeakPolarHBondContact O-CB 3.15Å; H216-R219 PolarHBondContact O-N 3.06Å; H216-L220 PolarHBondContact O-N 3.02Å; H216-P257 HydrophobicContact CB-CG 3.87Å; H216-P257 WeakPolarHBondContact CD2-CG 3.33Å; H216-P257 VanDerWaalsContact CG-CG 3.48Å
217G97.4Very high98Very high0 Ų041.2 Ų41.20%017%0.172CC..Hα-helixtrans-55-42.8-179.100000113.4P213 P214 R219 L220 E221P213-G217 PolarHBondContact O-N 2.65Å; P214-G217 PolarHBondContact O-N 2.8Å; G217-R219 PolarHBondContact O-N 3Å; G217-L220 WeakPolarHBondContact O-CB 3.39Å; G217-L220 PolarHBondContact O-N 3.47Å; G217-L220 VanDerWaalsContact O-N 3.1Å; G217-E221 PolarHBondContact O-N 3.08Å
218R96.6Very high97.9Very high153 Ų15341.7 Ų41.758%0.57717%0.174SC*.Hα-helixtrans-60-29.4176-69-65.1-174.1-170.32.7114H216 E221 R222 Y274H216-R218 VanDerWaalsContact C-N 3.32Å; H216-R218 PolarHBondContact O-N 3.28Å; R218-E221 VanDerWaalsContact CD-OE2 3.25Å; R218-E221 WeakPolarHBondContact CD-OE2 3.41Å; R218-E221 IonicContact CZ-OE2 3.9Å; R218-E221 IonicContact NE-OE2 3.93Å; R218-E221 IonicContact NH1-OE1 3.78Å; R218-E221 IonicContact NH1-OE2 3.13Å; R218-E221 PolarHBondContact NH1-OE2 3.07Å; R218-R222 PolarHBondContact O-N 2.78Å; R218-R222 VanDerWaalsContact O-N 3.09Å; R218-Y274 VanDerWaalsContact CD-OH 3.23Å; R218-Y274 WeakPolarHBondContact CD-OH 3.49Å; R218-Y274 PolarHBondContact N-OH 2.88Å; R218-Y274 PolarHBondContact NE-OH 3.04Å
219R98.3Very high97.7Very high100 Ų10045 Ų4538%0.37720%0.196SC..Hα-helixtrans-72.4-41.2176.9-60.3173.963-162-3.7110.3H216 G217 R222 L223 G255 I256H216-R219 WeakPolarHBondContact O-CB 3.15Å; H216-R219 PolarHBondContact O-N 3.06Å; G217-R219 PolarHBondContact O-N 3Å; R219-R222 PolarHBondContact O-N 3.35Å; R219-L223 PolarHBondContact O-N 2.49Å; R219-G255 PolarHBondContact NH2-O 2.75Å; R219-I256 HydrophobicContact CB-CD1 3.74Å
220L98.6Very high97.3Very high0 Ų047.2 Ų47.20%022%0.221CC..Hα-helixtrans-62.6-44.3172.4-179.967.3000111.3W188 V212 H216 G217 R222 L223 A224 I246 L251 Y276W188-L220 HydrophobicContact CD2-CD2 4.17Å; W188-L220 HydrophobicContact CE3-CD2 3.81Å; W188-L220 HydrophobicContact CZ3-CD2 4.32Å; V212-L220 HydrophobicContact CB-CD2 4.47Å; V212-L220 HydrophobicContact CG1-CB 4.49Å; V212-L220 HydrophobicContact CG2-CD2 4.13Å; H216-L220 PolarHBondContact O-N 3.02Å; G217-L220 WeakPolarHBondContact O-CB 3.39Å; G217-L220 PolarHBondContact O-N 3.47Å; G217-L220 VanDerWaalsContact O-N 3.1Å; L220-R222 VanDerWaalsContact C-N 3.28Å; L220-R222 PolarHBondContact O-N 3.36Å; L220-L223 PolarHBondContact O-N 2.63Å; L220-A224 VanDerWaalsContact O-CB 3.31Å; L220-A224 WeakPolarHBondContact O-CB 3.33Å; L220-A224 PolarHBondContact O-N 3.01Å; L220-I246 HydrophobicContact CD1-CD1 4.09Å; L220-L251 HydrophobicContact CD1-CD2 3.6Å; L220-Y276 HydrophobicContact CD2-CD1 3.8Å; L220-Y276 HydrophobicContact CD2-CD2 4.16Å; L220-Y276 HydrophobicContact CD2-CG 3.59Å
221E98.2Very high97Very high24 Ų2449.1 Ų49.111%0.11224%0.235CC..Hα-helixtrans-58.8-39.1176.3-73.2174.7-172.700112.5G217 R218 R225 L239 Y274 Y276G217-E221 PolarHBondContact O-N 3.08Å; R218-E221 VanDerWaalsContact CD-OE2 3.25Å; R218-E221 WeakPolarHBondContact CD-OE2 3.41Å; R218-E221 IonicContact CZ-OE2 3.9Å; R218-E221 IonicContact NE-OE2 3.93Å; R218-E221 IonicContact NH1-OE1 3.78Å; R218-E221 IonicContact NH1-OE2 3.13Å; R218-E221 PolarHBondContact NH1-OE2 3.07Å; E221-R225 VanDerWaalsContact O-CG 3.31Å; E221-R225 WeakPolarHBondContact O-CG 3.16Å; E221-R225 PolarHBondContact O-N 3.37Å; E221-R225 VanDerWaalsContact O-N 3.08Å; E221-R225 PolarHBondContact O-NE 3.29Å; E221-L239 HydrophobicContact CG-CD1 4.33Å; E221-Y274 WeakPolarHBondContact OE1-CE2 3.07Å; E221-Y274 PolarHBondContact OE1-OH 2.92Å; E221-Y274 PolarHBondContact OE2-OH 3.22Å; E221-Y276 HydrophobicContact CG-CE2 3.97Å; E221-Y276 WeakPolarHBondContact CG-OH 3.29Å; E221-Y276 PolarHBondContact OE1-OH 3.17Å
222R98Very high96.7Very high146 Ų14650.4 Ų50.455%0.55124%0.244SC*.Hα-helixtrans-64.8-51.5175.5-172.4-176.5-59.3161.71.3111.3R218 R219 L220 A224 R225 E226R218-R222 PolarHBondContact O-N 2.78Å; R218-R222 VanDerWaalsContact O-N 3.09Å; R219-R222 PolarHBondContact O-N 3.35Å; L220-R222 VanDerWaalsContact C-N 3.28Å; L220-R222 PolarHBondContact O-N 3.36Å; R222-A224 VanDerWaalsContact C-N 3.29Å; R222-A224 PolarHBondContact O-N 3.4Å; R222-R225 PolarHBondContact O-N 2.93Å; R222-R225 VanDerWaalsContact O-N 3.14Å; R222-E226 PolarHBondContact O-N 2.97Å
223L98.4Very high96.4Very high7 Ų758.5 Ų58.54%0.03728%0.282CS..Hα-helixtrans-57.2-44.6176.8176.862.8000111.3R219 L220 R225 E226 L227 L251 N254 I256R219-L223 PolarHBondContact O-N 2.49Å; L220-L223 PolarHBondContact O-N 2.63Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 2.78Å; L223-E226 WeakPolarHBondContact O-CB 3.09Å; L223-E226 PolarHBondContact O-N 2.79Å; L223-E226 VanDerWaalsContact O-N 3.14Å; L223-L227 HydrophobicContact CD1-CD1 3.9Å; L223-L227 HydrophobicContact CD1-CD2 4.42Å; L223-L227 HydrophobicContact CD1-CG 3.94Å; L223-L227 HydrophobicContact CD2-CD1 4.33Å; L223-L227 HydrophobicContact CG-CD1 3.79Å; L223-L227 HydrophobicContact CG-CG 4.2Å; L223-L227 WeakPolarHBondContact O-CG 3.26Å; L223-L227 PolarHBondContact O-N 2.81Å; L223-L251 HydrophobicContact CD2-CD2 4.11Å; L223-N254 HydrophobicContact CD1-CB 3.87Å; L223-N254 HydrophobicContact CD2-CB 3.77Å; L223-N254 HydrophobicContact CG-CB 4.46Å; L223-I256 HydrophobicContact CD2-CD1 4.42Å; L223-I256 HydrophobicContact CD2-CG1 3.66Å
224A98Very high96.1Very high0 Ų060.8 Ų60.80%031%0.306CS..Hα-helixtrans-61.7-39.3179.100000111.8L220 R222 E226 L227 F228 F238 L239 I246L220-A224 VanDerWaalsContact O-CB 3.31Å; L220-A224 WeakPolarHBondContact O-CB 3.33Å; L220-A224 PolarHBondContact O-N 3.01Å; R222-A224 VanDerWaalsContact C-N 3.29Å; R222-A224 PolarHBondContact O-N 3.4Å; A224-E226 VanDerWaalsContact C-N 3.29Å; A224-E226 PolarHBondContact O-N 2.87Å; A224-L227 PolarHBondContact O-N 3.33Å; A224-F228 WeakPolarHBondContact O-CB 3.37Å; A224-F228 VanDerWaalsContact O-CD2 3.3Å; A224-F228 WeakPolarHBondContact O-CD2 3.4Å; A224-F228 PolarHBondContact O-N 2.79Å; A224-F238 HydrophobicContact CB-CE1 4.41Å; A224-F238 HydrophobicContact CB-CZ 3.78Å; A224-F238 WeakPolarHBondContact O-CZ 3.5Å; A224-L239 HydrophobicContact CB-CD1 3.96Å; A224-L239 HydrophobicContact CB-CD2 3.97Å; A224-L239 HydrophobicContact CB-CG 4.25Å; A224-I246 HydrophobicContact CB-CD1 4.21Å
225R97.1Very high95.9Very high121 Ų12160.8 Ų60.846%0.45731%0.306SS..Hα-helixtrans-63.1-36.6175.3-73.7-177.6-71.2145-7.4112.7E221 R222 L223 F228 S232 F238E221-R225 VanDerWaalsContact O-CG 3.31Å; E221-R225 WeakPolarHBondContact O-CG 3.16Å; E221-R225 PolarHBondContact O-N 3.37Å; E221-R225 VanDerWaalsContact O-N 3.08Å; E221-R225 PolarHBondContact O-NE 3.29Å; R222-R225 PolarHBondContact O-N 2.93Å; R222-R225 VanDerWaalsContact O-N 3.14Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 2.78Å; R225-F228 CarbonylContact O-C 3.55Å; R225-S232 PolarHBondContact O-OG 2.78Å; R225-F238 HydrophobicContact CG-CE1 4.13Å
226E97.1Very high95.6Very high126 Ų12666.2 Ų66.259%0.58933%0.332SS*.Hα-helixtrans-70-41.2176.5-66.9165.4-167.700111.6R222 L223 A224R222-E226 PolarHBondContact O-N 2.97Å; L223-E226 WeakPolarHBondContact O-CB 3.09Å; L223-E226 PolarHBondContact O-N 2.79Å; L223-E226 VanDerWaalsContact O-N 3.14Å; A224-E226 VanDerWaalsContact C-N 3.29Å; A224-E226 PolarHBondContact O-N 2.87Å
227L97.3Very high95.4Very high53 Ų5364.5 Ų64.528%0.27733%0.326SS..Hα-helixtrans-76.1-26.4-179.9-66.2-179.5000113.7V82 L223 A224 P229 I246 V250V82-L227 HydrophobicContact CG1-CB 4.02Å; V82-L227 HydrophobicContact CG1-CD1 4.33Å; V82-L227 HydrophobicContact CG2-CD1 3.97Å; V82-L227 HydrophobicContact CG2-CD2 4.14Å; L223-L227 HydrophobicContact CD1-CD1 3.9Å; L223-L227 HydrophobicContact CD1-CD2 4.42Å; L223-L227 HydrophobicContact CD1-CG 3.94Å; L223-L227 HydrophobicContact CD2-CD1 4.33Å; L223-L227 HydrophobicContact CG-CD1 3.79Å; L223-L227 HydrophobicContact CG-CG 4.2Å; L223-L227 WeakPolarHBondContact O-CG 3.26Å; L223-L227 PolarHBondContact O-N 2.81Å; A224-L227 PolarHBondContact O-N 3.33Å; L227-P229 VanDerWaalsContact C-CD 3.48Å; L227-I246 HydrophobicContact CD1-CD1 4.07Å; L227-I246 HydrophobicContact CD1-CG1 4.17Å; L227-I246 HydrophobicContact CD1-CG2 4.14Å; L227-V250 HydrophobicContact CD1-CG1 3.93Å
228F96.6Very high95.3Very high14 Ų1464.7 Ų64.76%0.06133%0.326CS..  trans-127.964.2-177.5-55.4-81.2000111.6V82 T84 A224 R225 G230 S231 S232 F238 A244 I246V82-F228 HydrophobicContact CG1-CE1 3.75Å; V82-F228 HydrophobicContact CG1-CE2 4.05Å; V82-F228 HydrophobicContact CG1-CZ 3.44Å; V82-F228 VanDerWaalsContact CG1-CZ 3.44Å; T84-F228 WeakPolarHBondContact OG1-CE1 3.28Å; A224-F228 WeakPolarHBondContact O-CB 3.37Å; A224-F228 VanDerWaalsContact O-CD2 3.3Å; A224-F228 WeakPolarHBondContact O-CD2 3.4Å; A224-F228 PolarHBondContact O-N 2.79Å; R225-F228 CarbonylContact O-C 3.55Å; F228-G230 VanDerWaalsContact C-N 3.35Å; F228-G230 PolarHBondContact O-N 3.36Å; F228-S231 PolarHBondContact O-N 3Å; F228-S232 PolarHBondContact O-N 3.41Å; F228-S232 PolarHBondContact O-OG 2.7Å; F228-F238 HydrophobicContact CB-CE2 3.74Å; F228-F238 HydrophobicContact CB-CZ 3.82Å; F228-F238 AromaticContact CD2-CE2 3.96Å; F228-F238 HydrophobicContact CD2-CE2 3.96Å; F228-F238 HydrophobicContact CD2-CZ 4.06Å; F228-F238 HydrophobicContact CG-CE2 4.02Å; F228-F238 HydrophobicContact CG-CZ 4.31Å; F228-A244 HydrophobicContact CD2-CB 4.23Å; F228-A244 HydrophobicContact CE2-CB 3.83Å; F228-A244 HydrophobicContact CZ-CB 4.03Å; F228-I246 HydrophobicContact CE2-CD1 4.11Å; F228-I246 HydrophobicContact CE2-CG1 3.87Å; F228-I246 HydrophobicContact CZ-CG1 4.35Å
229P94Very high95.3Very high73 Ų7357.8 Ų57.847%0.47430%0.301SS..Hα-helixtrans-62.9-37.5-173.424.1-33.8000113L227 S232 Q233L227-P229 VanDerWaalsContact C-CD 3.48Å; P229-S232 WeakPolarHBondContact CA-OG 3.36Å; P229-S232 PolarHBondContact O-N 3.13Å; P229-S232 PolarHBondContact O-OG 2.88Å; P229-Q233 VanDerWaalsContact O-CG 3.27Å; P229-Q233 WeakPolarHBondContact O-CG 3.47Å; P229-Q233 PolarHBondContact O-N 2.76Å; P229-Q233 VanDerWaalsContact O-N 3.07Å
230G91.4Very high95.2Very high55 Ų5553.7 Ų53.757%0.56729%0.285SS*.Hα-helixtrans-64.8-41.2177.100000112.9F228 G234F228-G230 VanDerWaalsContact C-N 3.35Å; F228-G230 PolarHBondContact O-N 3.36Å; G230-G234 PolarHBondContact O-N 2.8Å
231S92.5Very high95Very high42 Ų4255.1 Ų55.129%0.29429%0.292SS..Hα-helixtrans-69.1-39.7177.2-570000112F228 G234 C235 F238F228-S231 PolarHBondContact O-N 3Å; S231-G234 PolarHBondContact O-N 2.67Å; S231-C235 PolarHBondContact O-N 3.36Å; S231-F238 VanDerWaalsContact CB-CD2 3.48Å
232S92Very high94.8Very high26 Ų2657.1 Ų57.118%0.18230%0.3CS..Hα-helixtrans-69.6-32.3-179.566.90000113.6R225 F228 P229 G234 C235R225-S232 PolarHBondContact O-OG 2.78Å; F228-S232 PolarHBondContact O-N 3.41Å; F228-S232 PolarHBondContact O-OG 2.7Å; P229-S232 WeakPolarHBondContact CA-OG 3.36Å; P229-S232 PolarHBondContact O-N 3.13Å; P229-S232 PolarHBondContact O-OG 2.88Å; S232-G234 VanDerWaalsContact C-N 3.33Å; S232-C235 CarbonylContact O-C 3.56Å
233Q92.3Very high94.7Very high170 Ų17051.5 Ų51.579%0.79428%0.282SS*.Hα-helixtrans-65-37.2171.3-74.4172.6-1.200112P229P229-Q233 VanDerWaalsContact O-CG 3.27Å; P229-Q233 WeakPolarHBondContact O-CG 3.47Å; P229-Q233 PolarHBondContact O-N 2.76Å; P229-Q233 VanDerWaalsContact O-N 3.07Å
234G91.8Very high94.7Very high53 Ų5351.2 Ų51.255%0.54628%0.281SS..Hα-helixtrans-76.7-32.4178.500000114.2G230 S231 S232G230-G234 PolarHBondContact O-N 2.8Å; S231-G234 PolarHBondContact O-N 2.67Å; S232-G234 VanDerWaalsContact C-N 3.33Å
235C93.7Very high94.7Very high2 Ų251.3 Ų51.31%0.01428%0.281CS..  trans-154.6125.5-179.8-176.90000111.3S231 S232 A237 F238 H241 C309S231-C235 PolarHBondContact O-N 3.36Å; S232-C235 CarbonylContact O-C 3.56Å; C235-A237 PolarHBondContact O-N 2.77Å; C235-A237 PolarHBondContact SG-N 2.9Å; C235-F238 HydrophobicContact CB-CB 4.09Å; C235-F238 WeakPolarHBondContact O-CB 3.22Å; C235-F238 PolarHBondContact O-N 3.2Å; C235-H241 PolarHBondContact SG-NE2 3.2Å; C235-H241 VanDerWaalsContact SG-NE2 3.36Å; C235-C309 HydrophobicContact CB-CB 4.22Å
236Q91.3Very high94.8Very high179 Ų17945.5 Ų45.584%0.83626%0.259SS*.THydrogen-bonded Turntrans-64.9-27.6177.6-67.8-172.3-1200112.8
237A93.4Very high94.8Very high11 Ų1139.8 Ų39.89%0.09123%0.233CC..THydrogen-bonded Turntrans-106.233.4178.100000112.2C235 L239 R240 Q306C235-A237 PolarHBondContact O-N 2.77Å; C235-A237 PolarHBondContact SG-N 2.9Å; A237-L239 PolarHBondContact O-N 3.2Å; A237-R240 HydrophobicContact CB-CG 3.93Å; A237-R240 WeakPolarHBondContact O-CB 3.38Å; A237-R240 WeakPolarHBondContact O-CG 3.47Å; A237-R240 PolarHBondContact O-N 3.06Å; A237-Q306 WeakPolarHBondContact CB-O 3.11Å
238F95.5Very high94.9Very high4 Ų438.1 Ų38.12%0.01823%0.225CC..G310 helixtrans-59.2-20.4-173.777.3-82.8000115A224 R225 F228 S231 C235 R240 H241 A244A224-F238 HydrophobicContact CB-CE1 4.41Å; A224-F238 HydrophobicContact CB-CZ 3.78Å; A224-F238 WeakPolarHBondContact O-CZ 3.5Å; R225-F238 HydrophobicContact CG-CE1 4.13Å; F228-F238 HydrophobicContact CB-CE2 3.74Å; F228-F238 HydrophobicContact CB-CZ 3.82Å; F228-F238 AromaticContact CD2-CE2 3.96Å; F228-F238 HydrophobicContact CD2-CE2 3.96Å; F228-F238 HydrophobicContact CD2-CZ 4.06Å; F228-F238 HydrophobicContact CG-CE2 4.02Å; F228-F238 HydrophobicContact CG-CZ 4.31Å; S231-F238 VanDerWaalsContact CB-CD2 3.48Å; C235-F238 HydrophobicContact CB-CB 4.09Å; C235-F238 WeakPolarHBondContact O-CB 3.22Å; C235-F238 PolarHBondContact O-N 3.2Å; F238-R240 PolarHBondContact O-N 3.22Å; F238-H241 VanDerWaalsContact O-CB 3.25Å; F238-H241 WeakPolarHBondContact O-CB 3.44Å; F238-H241 VanDerWaalsContact O-CG 3.25Å; F238-H241 PolarHBondContact O-N 3.47Å; F238-A244 HydrophobicContact CE2-CB 4.13Å
239L96.3Very high94.9Very high7 Ų741.5 Ų41.54%0.03725%0.248CC..G310 helixtrans-60.7-25.7172.1-68179.7000112.1E221 A224 A237 H241 K242 A244 Y276E221-L239 HydrophobicContact CG-CD1 4.33Å; A224-L239 HydrophobicContact CB-CD1 3.96Å; A224-L239 HydrophobicContact CB-CD2 3.97Å; A224-L239 HydrophobicContact CB-CG 4.25Å; A237-L239 PolarHBondContact O-N 3.2Å; L239-H241 PolarHBondContact O-N 2.83Å; L239-H241 VanDerWaalsContact O-N 3.15Å; L239-K242 PolarHBondContact O-N 2.74Å; L239-K242 VanDerWaalsContact O-N 3.08Å; L239-A244 HydrophobicContact CD2-CB 3.57Å; L239-Y276 HydrophobicContact CB-CE1 4.08Å; L239-Y276 HydrophobicContact CD1-CD1 4.36Å; L239-Y276 HydrophobicContact CD1-CE1 3.53Å; L239-Y276 HydrophobicContact CG-CE1 4.43Å
240R95Very high95.2Very high15 Ų1538.5 Ų38.56%0.05723%0.228CC..G310 helixtrans-59.4-22170.8-63.3-74.4178.3-141.2-8113.3T190 E191 D194 A237 F238 K242 S305 C307 A312T190-R240 PolarHBondContact O-NH1 3.32Å; T190-R240 VanDerWaalsContact OG1-CZ 3.25Å; T190-R240 PolarHBondContact OG1-NH1 3.47Å; T190-R240 PolarHBondContact OG1-NH2 3.43Å; E191-R240 PolarHBondContact O-NH1 3.4Å; D194-R240 VanDerWaalsContact CG-NH2 3.28Å; D194-R240 IonicContact OD1-CZ 2.73Å; D194-R240 IonicContact OD1-NH1 2.93Å; D194-R240 IonicContact OD1-NH2 3.36Å; D194-R240 PolarHBondContact OD1-NH2 3.12Å; D194-R240 IonicContact OD2-NH2 3.79Å; D194-R240 PolarHBondContact OD2-NH2 2.83Å; A237-R240 HydrophobicContact CB-CG 3.93Å; A237-R240 WeakPolarHBondContact O-CB 3.38Å; A237-R240 WeakPolarHBondContact O-CG 3.47Å; A237-R240 PolarHBondContact O-N 3.06Å; F238-R240 PolarHBondContact O-N 3.22Å; R240-K242 WeakPolarHBondContact O-CG 3.5Å; R240-K242 PolarHBondContact O-N 3.27Å; R240-S305 PolarHBondContact NE-O 3.48Å; R240-S305 PolarHBondContact NH2-O 3.09Å; R240-C307 HydrophobicContact CB-CB 4.37Å; R240-A312 HydrophobicContact CB-CB 4.42Å; R240-A312 WeakPolarHBondContact O-CB 3.43Å
241H94.6Very high95.5Very high29 Ų2935.9 Ų35.913%0.13420%0.201CC..G310 helixtrans-75.5-7-179.1-51.1-175.7000111C235 F238 L239 V243 C307 C309 E311C235-H241 PolarHBondContact SG-NE2 3.2Å; C235-H241 VanDerWaalsContact SG-NE2 3.36Å; F238-H241 VanDerWaalsContact O-CB 3.25Å; F238-H241 WeakPolarHBondContact O-CB 3.44Å; F238-H241 VanDerWaalsContact O-CG 3.25Å; F238-H241 PolarHBondContact O-N 3.47Å; L239-H241 PolarHBondContact O-N 2.83Å; L239-H241 VanDerWaalsContact O-N 3.15Å; H241-V243 VanDerWaalsContact C-N 3.26Å; H241-V243 HydrophobicContact CB-CG1 4.41Å; H241-V243 HydrophobicContact CB-CG2 4.07Å; H241-V243 WeakPolarHBondContact O-CG1 3.34Å; H241-V243 PolarHBondContact O-N 3.24Å; H241-C307 PolarHBondContact NE2-SG 2.95Å; H241-C309 PolarHBondContact CE1-SG 2.84Å; H241-C309 PolarHBondContact NE2-SG 3.42Å; H241-E311 IonicContact CE1-OE2 3.66Å; H241-E311 PolarHBondContact CE1-OE2 3.34Å; H241-E311 IonicContact CG-OE2 2.68Å; H241-E311 IonicContact ND1-OE2 3.86Å; H241-E311 PolarHBondContact ND1-OE2 3.43Å
242K95.3Very high95.8Very high66 Ų6641.9 Ų41.929%0.28722%0.222SC..SBendtrans55.140.6177.7-48-169.6-173.1-170.60112.4Q85 A187 H189 L239 R240Q85-K242 PolarHBondContact NE2-O 2.88Å; A187-K242 WeakPolarHBondContact CB-O 3.33Å; H189-K242 HydrophobicContact CB-CG 4.04Å; H189-K242 VanDerWaalsContact CD2-CE 3.45Å; H189-K242 WeakPolarHBondContact CD2-CE 3.36Å; L239-K242 PolarHBondContact O-N 2.74Å; L239-K242 VanDerWaalsContact O-N 3.08Å; R240-K242 WeakPolarHBondContact O-CG 3.5Å; R240-K242 PolarHBondContact O-N 3.27Å
243V95.3Very high96.1Very high28 Ų2847.6 Ų47.617%0.1725%0.245CC..  trans-116.5-15.8-179.3-62.70000115.2T84 Q85 H241T84-V243 CarbonylContact C-O 3.53Å; T84-V243 WeakPolarHBondContact CA-O 3.23Å; T84-V243 HydrophobicContact CG2-CB 4.17Å; T84-V243 HydrophobicContact CG2-CG2 4.22Å; Q85-V243 HydrophobicContact CG-CB 4.37Å; Q85-V243 WeakPolarHBondContact CG-O 3.48Å; Q85-V243 PolarHBondContact N-O 3.37Å; Q85-V243 WeakPolarHBondContact O-CB 3.27Å; Q85-V243 WeakPolarHBondContact O-CG1 3.29Å; H241-V243 VanDerWaalsContact C-N 3.26Å; H241-V243 HydrophobicContact CB-CG1 4.41Å; H241-V243 HydrophobicContact CB-CG2 4.07Å; H241-V243 WeakPolarHBondContact O-CG1 3.34Å; H241-V243 PolarHBondContact O-N 3.24Å
244A97.5Very high96.4Very high1 Ų143.1 Ų43.11%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-91.7121.1-173.400000112.5A187 W188 F228 F238 L239A187-A244 WeakPolarHBondContact CB-O 3.49Å; W188-A244 PolarHBondContact N-O 3.49Å; W188-A244 VanDerWaalsContact N-O 3.08Å; F228-A244 HydrophobicContact CD2-CB 4.23Å; F228-A244 HydrophobicContact CE2-CB 3.83Å; F228-A244 HydrophobicContact CZ-CB 4.03Å; F238-A244 HydrophobicContact CE2-CB 4.13Å; L239-A244 HydrophobicContact CD2-CB 3.57Å
245L98.3Very high96.7Very high2 Ų242.5 Ų42.51%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-110.7126.6175.9-50.8-178.6000109.4V76 F83 Q85 T185 A187V76-L245 HydrophobicContact CG1-CD1 4.47Å; V76-L245 HydrophobicContact CG2-CD1 4.47Å; F83-L245 HydrophobicContact CB-CB 4.06Å; F83-L245 HydrophobicContact CB-CD1 4.28Å; F83-L245 HydrophobicContact CD2-CB 4.31Å; F83-L245 PolarHBondContact N-O 3.37Å; F83-L245 PolarHBondContact O-N 2.95Å; Q85-L245 HydrophobicContact CB-CD1 4.36Å; T185-L245 HydrophobicContact CG2-CD1 3.96Å; T185-L245 HydrophobicContact CG2-CD2 3.44Å; T185-L245 VanDerWaalsContact CG2-CD2 3.44Å; T185-L245 HydrophobicContact CG2-CG 4.37Å; A187-L245 HydrophobicContact CB-CD2 3.58Å
246I98.6Very high96.9Very high0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-129.9124.5176.6-54.5169.2000106.7G81 W188 L220 A224 L227 F228 V250 L251G81-I246 CarbonylContact O-C 3.52Å; G81-I246 WeakPolarHBondContact O-CA 3.28Å; W188-I246 PolarHBondContact NE1-O 3.46Å; L220-I246 HydrophobicContact CD1-CD1 4.09Å; A224-I246 HydrophobicContact CB-CD1 4.21Å; L227-I246 HydrophobicContact CD1-CD1 4.07Å; L227-I246 HydrophobicContact CD1-CG1 4.17Å; L227-I246 HydrophobicContact CD1-CG2 4.14Å; F228-I246 HydrophobicContact CE2-CD1 4.11Å; F228-I246 HydrophobicContact CE2-CG1 3.87Å; F228-I246 HydrophobicContact CZ-CG1 4.35Å; I246-V250 HydrophobicContact CG2-CB 3.84Å; I246-V250 HydrophobicContact CG2-CG1 3.65Å; I246-L251 HydrophobicContact CB-CD2 4.43Å; I246-L251 HydrophobicContact CG2-CD2 3.77Å; I246-L251 HydrophobicContact CG2-CG 4.03Å
247S98.4Very high97.2Very high5 Ų536.4 Ų36.44%0.03520%0.196CC..  trans-75.9157.1-175.679.70000112.6G81 T249 V250 L251G81-S247 PolarHBondContact O-N 3.29Å; S247-T249 PolarHBondContact O-N 3.15Å; S247-T249 PolarHBondContact OG-N 2.98Å; S247-V250 PolarHBondContact O-N 2.96Å; S247-V250 VanDerWaalsContact O-N 3.12Å; S247-V250 PolarHBondContact OG-N 3.34Å; S247-L251 WeakPolarHBondContact O-CG 3.48Å; S247-L251 PolarHBondContact O-N 3.42Å
248P98.4Very high97.5Very high18 Ų1839 Ų3912%0.11721%0.205CC..Hα-helixtrans-53.1-35.9172.2-30.237.6000113.7W123 Y210 L251 K252 F258W123-P248 VanDerWaalsContact CZ2-CD 3.48Å; W123-P248 HydrophobicContact CZ2-CG 4.47Å; W123-P248 VanDerWaalsContact NE1-CD 3.33Å; Y210-P248 HydrophobicContact CD1-CG 3.91Å; Y210-P248 HydrophobicContact CE1-CB 4.45Å; Y210-P248 HydrophobicContact CE1-CG 3.31Å; Y210-P248 HydrophobicContact CE2-CG 4.36Å; P248-L251 PolarHBondContact O-N 2.93Å; P248-K252 WeakPolarHBondContact O-CB 3.49Å; P248-K252 PolarHBondContact O-N 3.32Å; P248-F258 HydrophobicContact CB-CE1 4.48Å; P248-F258 HydrophobicContact CB-CE2 3.82Å; P248-F258 HydrophobicContact CB-CZ 3.6Å; P248-F258 HydrophobicContact CG-CE2 4.37Å
249T98.2Very high97.6Very high86 Ų8639.7 Ų39.753%0.52821%0.214SC..Hα-helixtrans-62.4-49.5177-54.60000111S247 L251 K252 E253S247-T249 PolarHBondContact O-N 3.15Å; S247-T249 PolarHBondContact OG-N 2.98Å; T249-L251 VanDerWaalsContact C-N 3.34Å; T249-L251 PolarHBondContact O-N 2.83Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.14Å; T249-E253 WeakPolarHBondContact O-CG 3.43Å; T249-E253 PolarHBondContact O-N 2.98Å
250V98.6Very high97.7Very high9 Ų944.5 Ų44.56%0.05523%0.231CC..Hα-helixtrans-63.8-40.9179.1176.10000110.8A80 V82 L227 I246 S247 K252 E253 N254A80-V250 WeakPolarHBondContact O-CG2 3.26Å; V82-V250 HydrophobicContact CG2-CG1 4.1Å; V82-V250 HydrophobicContact CG2-CG2 4.01Å; L227-V250 HydrophobicContact CD1-CG1 3.93Å; I246-V250 HydrophobicContact CG2-CB 3.84Å; I246-V250 HydrophobicContact CG2-CG1 3.65Å; S247-V250 PolarHBondContact O-N 2.96Å; S247-V250 VanDerWaalsContact O-N 3.12Å; S247-V250 PolarHBondContact OG-N 3.34Å; V250-K252 PolarHBondContact O-N 2.84Å; V250-E253 PolarHBondContact O-N 3.4Å; V250-N254 WeakPolarHBondContact O-CB 3.43Å; V250-N254 PolarHBondContact O-N 2.95Å; V250-N254 VanDerWaalsContact O-N 3.11Å; V250-N254 PolarHBondContact O-ND2 3.06Å
251L98.6Very high97.9Very high0 Ų044.9 Ų44.90%023%0.234CC..Hα-helixtrans-60.3-45.7175.4-67.4179.8000111.8W188 L220 L223 I246 S247 P248 T249 N254 G255 I256 F258W188-L251 HydrophobicContact CH2-CD1 3.97Å; W188-L251 HydrophobicContact CZ2-CD1 3.44Å; W188-L251 VanDerWaalsContact CZ2-CD1 3.44Å; L220-L251 HydrophobicContact CD1-CD2 3.6Å; L223-L251 HydrophobicContact CD2-CD2 4.11Å; I246-L251 HydrophobicContact CB-CD2 4.43Å; I246-L251 HydrophobicContact CG2-CD2 3.77Å; I246-L251 HydrophobicContact CG2-CG 4.03Å; S247-L251 WeakPolarHBondContact O-CG 3.48Å; S247-L251 PolarHBondContact O-N 3.42Å; P248-L251 PolarHBondContact O-N 2.93Å; T249-L251 VanDerWaalsContact C-N 3.34Å; T249-L251 PolarHBondContact O-N 2.83Å; L251-N254 CarbonylContact O-C 3.51Å; L251-N254 PolarHBondContact O-N 3.47Å; L251-G255 PolarHBondContact O-N 2.98Å; L251-G255 VanDerWaalsContact O-N 3.14Å; L251-I256 HydrophobicContact CB-CB 4.22Å; L251-I256 HydrophobicContact CD2-CB 4.01Å; L251-I256 HydrophobicContact CD2-CG1 4.23Å; L251-I256 HydrophobicContact CD2-CG2 4.06Å; L251-I256 PolarHBondContact O-N 2.9Å; L251-F258 HydrophobicContact CB-CD1 3.91Å; L251-F258 HydrophobicContact CB-CE1 4.1Å; L251-F258 HydrophobicContact CD1-CB 4.28Å; L251-F258 HydrophobicContact CD1-CD1 4.11Å; L251-F258 HydrophobicContact CD1-CG 4.1Å
252K98.3Very high98.1Very high169 Ų16944.6 Ų44.674%0.73524%0.235SC*.Hα-helixtrans-64-44.6179.5-171.6177.9-178.7-179.90112P248 T249 V250 N254 G255 F258P248-K252 WeakPolarHBondContact O-CB 3.49Å; P248-K252 PolarHBondContact O-N 3.32Å; T249-K252 PolarHBondContact O-N 2.86Å; V250-K252 PolarHBondContact O-N 2.84Å; K252-N254 PolarHBondContact O-N 2.96Å; K252-G255 PolarHBondContact O-N 2.72Å; K252-G255 VanDerWaalsContact O-N 3.11Å; K252-F258 HydrophobicContact CB-CE1 4.46Å
253E98.3Very high98.3Very high145 Ų14541.5 Ų41.568%0.67822%0.221SC*.Hα-helixtrans-62.3-30.7177.7-73.7169.6174.800112.6T249 V250T249-E253 WeakPolarHBondContact CG2-OE1 3.14Å; T249-E253 WeakPolarHBondContact O-CG 3.43Å; T249-E253 PolarHBondContact O-N 2.98Å; V250-E253 PolarHBondContact O-N 3.4Å
254N98.5Very high98.4Very high76 Ų7644.7 Ų44.741%0.40623%0.234SC..THydrogen-bonded Turntrans-9611.7177.4-69.1-84.4000113.2L223 V250 L251 K252 I256L223-N254 HydrophobicContact CD1-CB 3.87Å; L223-N254 HydrophobicContact CD2-CB 3.77Å; L223-N254 HydrophobicContact CG-CB 4.46Å; V250-N254 WeakPolarHBondContact O-CB 3.43Å; V250-N254 PolarHBondContact O-N 2.95Å; V250-N254 VanDerWaalsContact O-N 3.11Å; V250-N254 PolarHBondContact O-ND2 3.06Å; L251-N254 CarbonylContact O-C 3.51Å; L251-N254 PolarHBondContact O-N 3.47Å; K252-N254 PolarHBondContact O-N 2.96Å; N254-I256 HydrophobicContact CB-CG1 4.44Å; N254-I256 PolarHBondContact O-N 3.04Å
255G98.1Very high98.5Very high41 Ų4147.1 Ų47.142%0.42325%0.254SS..THydrogen-bonded Turntrans64.322.2175.700000114.8R219 L251 K252 P257R219-G255 PolarHBondContact NH2-O 2.75Å; L251-G255 PolarHBondContact O-N 2.98Å; L251-G255 VanDerWaalsContact O-N 3.14Å; K252-G255 PolarHBondContact O-N 2.72Å; K252-G255 VanDerWaalsContact O-N 3.11Å; G255-P257 WeakPolarHBondContact O-CD 3.4Å
256I98.6Very high98.5Very high9 Ų948 Ų485%0.04626%0.264CS..  trans-81.1117.5175.8-54.7-57.7000108.8V212 R219 L223 L251 N254V212-I256 HydrophobicContact CG1-CG2 4.27Å; V212-I256 HydrophobicContact CG2-CG2 4Å; R219-I256 HydrophobicContact CB-CD1 3.74Å; L223-I256 HydrophobicContact CD2-CD1 4.42Å; L223-I256 HydrophobicContact CD2-CG1 3.66Å; L251-I256 HydrophobicContact CB-CB 4.22Å; L251-I256 HydrophobicContact CD2-CB 4.01Å; L251-I256 HydrophobicContact CD2-CG1 4.23Å; L251-I256 HydrophobicContact CD2-CG2 4.06Å; L251-I256 PolarHBondContact O-N 2.9Å; N254-I256 HydrophobicContact CB-CG1 4.44Å; N254-I256 PolarHBondContact O-N 3.04Å
257P98.1Very high98.5Very high44 Ų4448.8 Ų48.829%0.28627%0.268SS..  trans-71.1136.6176.528.6-32.5000110.3P213 H216 G255P213-P257 WeakPolarHBondContact CD-O 3.39Å; H216-P257 HydrophobicContact CB-CG 3.87Å; H216-P257 WeakPolarHBondContact CD2-CG 3.33Å; H216-P257 VanDerWaalsContact CG-CG 3.48Å; G255-P257 WeakPolarHBondContact O-CD 3.4Å
258F98.6Very high98.5Very high64 Ų6448.6 Ų48.628%0.28127%0.266SS..  trans-150.2152.8177.471.3-81.6000110.8Y210 A211 V212 P248 L251 K252Y210-F258 HydrophobicContact CD1-CD2 4.3Å; Y210-F258 HydrophobicContact CD1-CE2 4.32Å; A211-F258 CarbonylContact O-C 3.51Å; A211-F258 WeakPolarHBondContact O-CA 3.29Å; A211-F258 WeakPolarHBondContact O-CB 3.46Å; V212-F258 HydrophobicContact CG2-CB 4.07Å; P248-F258 HydrophobicContact CB-CE1 4.48Å; P248-F258 HydrophobicContact CB-CE2 3.82Å; P248-F258 HydrophobicContact CB-CZ 3.6Å; P248-F258 HydrophobicContact CG-CE2 4.37Å; L251-F258 HydrophobicContact CB-CD1 3.91Å; L251-F258 HydrophobicContact CB-CE1 4.1Å; L251-F258 HydrophobicContact CD1-CB 4.28Å; L251-F258 HydrophobicContact CD1-CD1 4.11Å; L251-F258 HydrophobicContact CD1-CG 4.1Å; K252-F258 HydrophobicContact CB-CE1 4.46Å
259G98.4Very high98.5Very high19 Ų1947.7 Ų47.720%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-102.2155.416700000111.6Y210 A211Y210-G259 VanDerWaalsContact CA-O 3.3Å; Y210-G259 WeakPolarHBondContact CA-O 3.22Å; A211-G259 PolarHBondContact N-O 2.8Å; A211-G259 PolarHBondContact O-N 3.44Å
260R98.3Very high98.6Very high109 Ų10943.6 Ų43.641%0.41124%0.235SC..EExtended strand (participates in β ladder)trans-128.2134.1174.4178.2-173.167.1170.12.5109.1E116 E119 T208 W209 Y210E116-R260 IonicContact OE1-CZ 2.89Å; E116-R260 IonicContact OE1-NH1 3.68Å; E116-R260 IonicContact OE1-NH2 3.14Å; E116-R260 PolarHBondContact OE1-NH2 3Å; E119-R260 WeakPolarHBondContact OE1-CD 3.31Å; E119-R260 IonicContact OE1-NH1 3.2Å; E119-R260 IonicContact OE2-CZ 2.67Å; E119-R260 IonicContact OE2-NH1 3.2Å; E119-R260 PolarHBondContact OE2-NH1 3.44Å; T208-R260 HydrophobicContact CG2-CG 4.3Å; W209-R260 WeakPolarHBondContact O-CA 3.45Å; Y210-R260 HydrophobicContact CD1-CB 4.12Å; Y210-R260 HydrophobicContact CD1-CG 4.08Å; Y210-R260 HydrophobicContact CE1-CB 4.27Å; Y210-R260 HydrophobicContact CE1-CG 3.81Å
261I98.8Very high98.6Very high22 Ų2243.2 Ų43.211%0.11323%0.233CC..EExtended strand (participates in β ladder)trans-148.5146.8173.7-165.7164.1000111I15 I17 L45 K47 W209 M269I15-I261 HydrophobicContact CD1-CB 4.18Å; I15-I261 HydrophobicContact CD1-CG2 3.98Å; I15-I261 HydrophobicContact CG2-CB 4.31Å; I15-I261 HydrophobicContact CG2-CD1 3.73Å; I15-I261 HydrophobicContact CG2-CG2 4.14Å; I17-I261 HydrophobicContact CD1-CD1 4Å; I17-I261 HydrophobicContact CG1-CD1 3.93Å; L45-I261 HydrophobicContact CD2-CG2 3.88Å; K47-I261 HydrophobicContact CB-CD1 3.93Å; K47-I261 HydrophobicContact CD-CD1 4.17Å; W209-I261 HydrophobicContact CB-CG2 4.03Å; W209-I261 PolarHBondContact N-O 3.41Å; W209-I261 PolarHBondContact O-N 2.82Å; I261-M269 HydrophobicContact CG2-CE 3.57Å
262T98.8Very high98.6Very high24 Ų2443.3 Ų43.315%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-103.3124.4172.9-60.80000108.9K47 F115 P206 K207 T208K47-T262 WeakPolarHBondContact CE-O 3.39Å; K47-T262 PolarHBondContact NZ-O 3.17Å; F115-T262 HydrophobicContact CD2-CG2 4.09Å; F115-T262 HydrophobicContact CE2-CG2 3.94Å; F115-T262 HydrophobicContact CG-CG2 4.46Å; F115-T262 HydrophobicContact CZ-CG2 4.17Å; P206-T262 HydrophobicContact CB-CG2 3.48Å; P206-T262 VanDerWaalsContact CB-CG2 3.48Å; P206-T262 HydrophobicContact CG-CG2 4.41Å; K207-T262 CarbonylContact O-C 3.58Å; K207-T262 WeakPolarHBondContact O-CA 3.39Å; T208-T262 PolarHBondContact OG1-OG1 3.15Å
263Q98.8Very high98.5Very high0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-89.8128.4172.6179.7-168.41600109.6N199 L201 P206 K207 E267 M269N199-Q263 PolarHBondContact O-NE2 3.39Å; N199-Q263 PolarHBondContact OD1-NE2 3.03Å; N199-Q263 VanDerWaalsContact OD1-NE2 3.12Å; N199-Q263 PolarHBondContact OD1-OE1 2.9Å; L201-Q263 HydrophobicContact CB-CG 4.1Å; L201-Q263 HydrophobicContact CD2-CG 4.29Å; L201-Q263 WeakPolarHBondContact CD2-O 3.42Å; P206-Q263 CarbonylContact C-O 3.56Å; P206-Q263 VanDerWaalsContact CA-O 3.23Å; P206-Q263 WeakPolarHBondContact CA-O 3.11Å; P206-Q263 VanDerWaalsContact CB-O 3.27Å; P206-Q263 WeakPolarHBondContact CB-O 3.16Å; K207-Q263 HydrophobicContact CB-CB 4.49Å; K207-Q263 PolarHBondContact N-O 3Å; K207-Q263 PolarHBondContact O-N 2.84Å; Q263-E267 WeakPolarHBondContact CA-OE2 3.46Å; Q263-E267 HydrophobicContact CG-CB 4.14Å; Q263-E267 PolarHBondContact NE2-O 2.72Å; Q263-M269 HydrophobicContact CB-CG 3.8Å; Q263-M269 HydrophobicContact CB-SD 3.95Å; Q263-M269 HydrophobicContact CG-CG 3.63Å; Q263-M269 HydrophobicContact CG-SD 4.11Å
264E98.8Very high98.5Very high96 Ų9629.1 Ų29.145%0.44917%0.169SC..PPolyproline II helixtrans-103.3165.7177-63.3-176.1-117.500111.4P206 G266 E267P206-E264 HydrophobicContact CB-CG 4.49Å; P206-E264 HydrophobicContact CG-CG 4.35Å; E264-G266 PolarHBondContact O-N 2.94Å; E264-E267 HydrophobicContact CB-CG 4.46Å; E264-E267 PolarHBondContact N-OE2 3.12Å; E264-E267 WeakPolarHBondContact O-CB 3.22Å; E264-E267 PolarHBondContact O-N 3.39Å
265A98.6Very high98.5Very high51 Ų5125.6 Ų25.642%0.42115%0.151SC..THydrogen-bonded Turntrans-61.4135.9-178.900000110.9L201L201-A265 WeakPolarHBondContact O-CA 3.36Å
266G98.4Very high98.5Very high21 Ų2124 Ų2422%0.21613%0.132CC..THydrogen-bonded Turntrans88.5-0.1-174.900000114.5P50 Y200 L201 E264P50-G266 WeakPolarHBondContact CD-O 3.48Å; P50-G266 WeakPolarHBondContact CG-O 3.44Å; Y200-G266 WeakPolarHBondContact CE2-O 3.2Å; L201-G266 PolarHBondContact O-N 3.26Å; E264-G266 PolarHBondContact O-N 2.94Å
267E98.8Very high98.5Very high17 Ų1723.7 Ų23.78%0.07913%0.13CC..  trans-103.5148.9179.3-56.2-177139.100112.6K47 I49 L201 Q263 E264K47-E267 WeakPolarHBondContact CD-OE2 3.27Å; K47-E267 WeakPolarHBondContact CE-OE2 3.32Å; K47-E267 VanDerWaalsContact NZ-CD 3.32Å; K47-E267 IonicContact NZ-OE1 2.72Å; K47-E267 PolarHBondContact NZ-OE1 3.33Å; K47-E267 IonicContact NZ-OE2 2.74Å; K47-E267 PolarHBondContact NZ-OE2 3.28Å; I49-E267 WeakPolarHBondContact CD1-OE1 3.3Å; I49-E267 HydrophobicContact CG1-CG 4.22Å; L201-E267 PolarHBondContact N-O 2.91Å; L201-E267 VanDerWaalsContact N-O 3.15Å; Q263-E267 WeakPolarHBondContact CA-OE2 3.46Å; Q263-E267 HydrophobicContact CG-CB 4.14Å; Q263-E267 PolarHBondContact NE2-O 2.72Å; E264-E267 HydrophobicContact CB-CG 4.46Å; E264-E267 PolarHBondContact N-OE2 3.12Å; E264-E267 WeakPolarHBondContact O-CB 3.22Å; E264-E267 PolarHBondContact O-N 3.39Å
268F98.9Very high98.6Very high0 Ų021.8 Ų21.80%012%0.118CC..EExtended strand (participates in β ladder)trans-97.4145.5170.6-66.6-93000111.4F25 K47 V48 P50 W54 F142 W149 V151 I198 N199 Y200F25-F268 HydrophobicContact CE2-CE2 4.39Å; F25-F268 HydrophobicContact CZ-CD2 4.35Å; F25-F268 AromaticContact CZ-CE2 3.68Å; F25-F268 HydrophobicContact CZ-CE2 3.68Å; F25-F268 HydrophobicContact CZ-CZ 4.19Å; K47-F268 WeakPolarHBondContact CA-O 3.31Å; V48-F268 HydrophobicContact CB-CB 4.16Å; V48-F268 PolarHBondContact N-O 3.19Å; V48-F268 PolarHBondContact O-N 2.82Å; P50-F268 HydrophobicContact CB-CE2 4.22Å; P50-F268 HydrophobicContact CG-CD2 4.34Å; P50-F268 HydrophobicContact CG-CE2 4.16Å; W54-F268 AromaticContact CH2-CE2 3.62Å; W54-F268 HydrophobicContact CH2-CE2 3.62Å; W54-F268 AromaticContact CH2-CZ 3.39Å; W54-F268 HydrophobicContact CH2-CZ 3.39Å; W54-F268 HydrophobicContact CZ2-CE2 4.35Å; W54-F268 AromaticContact CZ2-CZ 3.98Å; W54-F268 HydrophobicContact CZ2-CZ 3.98Å; W54-F268 AromaticContact CZ3-CE2 3.73Å; W54-F268 HydrophobicContact CZ3-CE2 3.73Å; W54-F268 HydrophobicContact CZ3-CZ 4Å; F142-F268 HydrophobicContact CZ-CE1 4.37Å; F142-F268 HydrophobicContact CZ-CZ 4.44Å; W149-F268 HydrophobicContact CB-CE1 4.3Å; W149-F268 HydrophobicContact CB-CZ 3.9Å; W149-F268 HydrophobicContact CE3-CD1 4.05Å; W149-F268 HydrophobicContact CE3-CD2 4.23Å; W149-F268 HydrophobicContact CE3-CE1 4.12Å; W149-F268 HydrophobicContact CE3-CE2 4.34Å; W149-F268 HydrophobicContact CE3-CG 4.07Å; W149-F268 HydrophobicContact CE3-CZ 4.26Å; W149-F268 HydrophobicContact CZ3-CB 4.42Å; W149-F268 HydrophobicContact CZ3-CG 4.31Å; V151-F268 HydrophobicContact CG2-CE1 4.12Å; I198-F268 HydrophobicContact CD1-CD1 3.53Å; I198-F268 HydrophobicContact CD1-CE1 3.94Å; I198-F268 HydrophobicContact CD1-CG 4.41Å; I198-F268 HydrophobicContact CG1-CD1 3.79Å; I198-F268 HydrophobicContact CG1-CE1 4.5Å; N199-F268 CarbonylContact O-C 3.6Å; N199-F268 VanDerWaalsContact O-CA 3.28Å; N199-F268 WeakPolarHBondContact O-CA 3.42Å; Y200-F268 AromaticContact CD2-CD1 3.67Å; Y200-F268 HydrophobicContact CD2-CD1 3.67Å; Y200-F268 AromaticContact CD2-CD2 3.69Å; Y200-F268 HydrophobicContact CD2-CD2 3.69Å; Y200-F268 AromaticContact CD2-CE1 3.5Å; Y200-F268 HydrophobicContact CD2-CE1 3.5Å; Y200-F268 VanDerWaalsContact CD2-CE1 3.5Å; Y200-F268 AromaticContact CD2-CE2 3.46Å; Y200-F268 HydrophobicContact CD2-CE2 3.46Å; Y200-F268 VanDerWaalsContact CD2-CE2 3.46Å; Y200-F268 AromaticContact CD2-CG 3.79Å; Y200-F268 HydrophobicContact CD2-CG 3.79Å; Y200-F268 AromaticContact CD2-CZ 3.4Å; Y200-F268 HydrophobicContact CD2-CZ 3.4Å; Y200-F268 HydrophobicContact CE2-CD2 4.1Å; Y200-F268 HydrophobicContact CE2-CE1 4.42Å; Y200-F268 AromaticContact CE2-CE2 3.67Å; Y200-F268 HydrophobicContact CE2-CE2 3.67Å; Y200-F268 AromaticContact CE2-CZ 3.89Å; Y200-F268 HydrophobicContact CE2-CZ 3.89Å; Y200-F268 HydrophobicContact CG-CD1 4.1Å; Y200-F268 AromaticContact CG-CE1 3.78Å; Y200-F268 HydrophobicContact CG-CE1 3.78Å; Y200-F268 HydrophobicContact CG-CE2 4.47Å; Y200-F268 AromaticContact CG-CZ 3.99Å; Y200-F268 HydrophobicContact CG-CZ 3.99Å
269M98.9Very high98.6Very high0 Ų018.9 Ų18.90%011%0.107CC..EExtended strand (participates in β ladder)trans-117.8134.9164.6-61.3-59.8-5900108.8L45 A46 K47 I198 N199 W209 I261 Q263L45-M269 HydrophobicContact CD1-CB 4.36Å; L45-M269 HydrophobicContact CD1-CE 3.69Å; L45-M269 HydrophobicContact CD2-CE 3.55Å; L45-M269 HydrophobicContact CG-CE 3.51Å; A46-M269 WeakPolarHBondContact O-CA 3.45Å; K47-M269 HydrophobicContact CB-CE 4.24Å; K47-M269 HydrophobicContact CB-SD 3.67Å; K47-M269 HydrophobicContact CG-SD 3.85Å; I198-M269 CarbonylContact C-O 3.51Å; I198-M269 WeakPolarHBondContact CA-O 3.22Å; N199-M269 HydrophobicContact CB-CB 4.35Å; N199-M269 PolarHBondContact N-O 3.49Å; N199-M269 PolarHBondContact O-N 3.17Å; W209-M269 HydrophobicContact CG-CE 4.36Å; W209-M269 HydrophobicContact CZ2-CB 4.06Å; W209-M269 HydrophobicContact CZ2-CG 4.14Å; I261-M269 HydrophobicContact CG2-CE 3.57Å; Q263-M269 HydrophobicContact CB-CG 3.8Å; Q263-M269 HydrophobicContact CB-SD 3.95Å; Q263-M269 HydrophobicContact CG-CG 3.63Å; Q263-M269 HydrophobicContact CG-SD 4.11Å
270V98.7Very high98.6Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-117.1120.1175177.20000108.2I32 M35 L45 A46 S197 I198 F272 F292I32-V270 HydrophobicContact CD1-CG1 4.18Å; I32-V270 HydrophobicContact CD1-CG2 4.2Å; M35-V270 HydrophobicContact CE-CB 4.35Å; M35-V270 HydrophobicContact CE-CG2 4.43Å; L45-V270 CarbonylContact C-O 3.55Å; L45-V270 WeakPolarHBondContact CA-O 3.45Å; A46-V270 PolarHBondContact N-O 3.43Å; A46-V270 PolarHBondContact O-N 2.89Å; S197-V270 CarbonylContact O-C 3.02Å; S197-V270 WeakPolarHBondContact O-CA 3.39Å; I198-V270 HydrophobicContact CG1-CG2 4.29Å; V270-F272 HydrophobicContact CG1-CE2 4.2Å; V270-F272 HydrophobicContact CG1-CZ 4.21Å; V270-F292 HydrophobicContact CG1-CE1 4.19Å; V270-F292 HydrophobicContact CG1-CZ 3.92Å
271T98.6Very high98.6Very high1 Ų112.8 Ų12.81%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-92.1144.2169.6770000108.9G44 L45 Y196 S197 W209G44-T271 WeakPolarHBondContact O-CA 3.41Å; L45-T271 HydrophobicContact CD1-CG2 3.79Å; Y196-T271 WeakPolarHBondContact CA-O 3.08Å; Y196-T271 WeakPolarHBondContact CB-O 3.38Å; S197-T271 PolarHBondContact N-O 2.96Å; S197-T271 PolarHBondContact N-OG1 2.68Å; S197-T271 PolarHBondContact O-N 3.06Å; S197-T271 WeakPolarHBondContact OG-CG2 3.49Å; S197-T271 PolarHBondContact OG-OG1 3.16Å; W209-T271 HydrophobicContact CZ3-CG2 4.12Å
272F98.4Very high98.6Very high2 Ų211.9 Ų11.91%0.0097%0.073CC..  trans-105.9158.5-178.4-67.2-97.1000110.8M35 E36 A40 H41 G44 A46 Y196 V270 Y274 G275M35-F272 HydrophobicContact CE-CZ 3.95Å; E36-F272 HydrophobicContact CG-CD1 4.42Å; E36-F272 HydrophobicContact CG-CE1 3.81Å; A40-F272 HydrophobicContact CB-CE2 4.35Å; A40-F272 HydrophobicContact CB-CZ 3.94Å; H41-F272 VanDerWaalsContact CA-CD1 3.45Å; H41-F272 VanDerWaalsContact CA-CG 3.49Å; H41-F272 HydrophobicContact CB-CB 4.27Å; H41-F272 HydrophobicContact CB-CD1 3.28Å; H41-F272 HydrophobicContact CB-CD2 4.49Å; H41-F272 HydrophobicContact CB-CE1 3.64Å; H41-F272 HydrophobicContact CB-CG 3.79Å; H41-F272 HydrophobicContact CB-CZ 4.35Å; G44-F272 PolarHBondContact O-N 2.92Å; A46-F272 HydrophobicContact CB-CE2 3.76Å; A46-F272 HydrophobicContact CB-CZ 4.27Å; Y196-F272 AromaticContact CD1-CD1 3.93Å; Y196-F272 HydrophobicContact CD1-CD1 3.93Å; Y196-F272 HydrophobicContact CD1-CE1 4.5Å; Y196-F272 HydrophobicContact CD1-CG 4.4Å; Y196-F272 HydrophobicContact CE1-CB 4.46Å; Y196-F272 AromaticContact CE1-CD1 3.41Å; Y196-F272 HydrophobicContact CE1-CD1 3.41Å; Y196-F272 VanDerWaalsContact CE1-CD1 3.41Å; Y196-F272 AromaticContact CE1-CE1 3.99Å; Y196-F272 HydrophobicContact CE1-CE1 3.99Å; Y196-F272 HydrophobicContact CE1-CG 4.24Å; V270-F272 HydrophobicContact CG1-CE2 4.2Å; V270-F272 HydrophobicContact CG1-CZ 4.21Å; F272-Y274 PolarHBondContact O-N 3.48Å; F272-G275 WeakPolarHBondContact O-CA 3.4Å; F272-G275 PolarHBondContact O-N 3.15Å
273P97.3Very high98.6Very high0 Ų010.8 Ų10.80%07%0.066CC..THydrogen-bonded Turntrans-48.2129.9178.8-33.535000113.3D194 Y196 G275 W297 Y300D194-P273 WeakPolarHBondContact O-CA 3.45Å; D194-P273 VanDerWaalsContact O-CB 3.24Å; D194-P273 WeakPolarHBondContact O-CB 3.38Å; Y196-P273 HydrophobicContact CD1-CG 4.39Å; Y196-P273 HydrophobicContact CD2-CG 3.55Å; Y196-P273 HydrophobicContact CE1-CG 4.15Å; Y196-P273 VanDerWaalsContact CE2-CD 3.42Å; Y196-P273 HydrophobicContact CE2-CG 3.23Å; Y196-P273 HydrophobicContact CG-CG 4.1Å; P273-G275 PolarHBondContact O-N 3.18Å; P273-G275 VanDerWaalsContact O-N 3.12Å; P273-W297 HydrophobicContact CG-CB 4Å; P273-W297 HydrophobicContact CG-CG 4.48Å; P273-Y300 HydrophobicContact CB-CD1 3.55Å; P273-Y300 HydrophobicContact CB-CD2 3.81Å; P273-Y300 HydrophobicContact CB-CE1 3.74Å; P273-Y300 HydrophobicContact CB-CE2 4.02Å; P273-Y300 HydrophobicContact CB-CG 3.55Å; P273-Y300 WeakPolarHBondContact O-CE1 3.47Å
274Y97.9Very high98.6Very high15 Ų1511.8 Ų11.86%0.0597%0.071CC..THydrogen-bonded Turntrans60.412.4-177.8-161.4-120.5000115.2T190 P214 R218 E221 F272 Y276 H344T190-Y274 VanDerWaalsContact CG2-C 3.47Å; T190-Y274 HydrophobicContact CG2-CD2 4.37Å; P214-Y274 HydrophobicContact CB-CD1 4.33Å; P214-Y274 WeakPolarHBondContact O-CD1 3.43Å; R218-Y274 VanDerWaalsContact CD-OH 3.23Å; R218-Y274 WeakPolarHBondContact CD-OH 3.49Å; R218-Y274 PolarHBondContact N-OH 2.88Å; R218-Y274 PolarHBondContact NE-OH 3.04Å; E221-Y274 WeakPolarHBondContact OE1-CE2 3.07Å; E221-Y274 PolarHBondContact OE1-OH 2.92Å; E221-Y274 PolarHBondContact OE2-OH 3.22Å; F272-Y274 PolarHBondContact O-N 3.48Å; Y274-Y276 AromaticContact CE2-CE2 3.99Å; Y274-Y276 HydrophobicContact CE2-CE2 3.99Å; Y274-Y276 PolarHBondContact O-N 3.49Å; Y274-H344 AromaticContact CD1-CE1 3.76Å
275G98.2Very high98.6Very high2 Ų27.2 Ų7.22%0.0215%0.049CC..  trans-77.198.2172.900000111.2F272 P273 H277F272-G275 WeakPolarHBondContact O-CA 3.4Å; F272-G275 PolarHBondContact O-N 3.15Å; P273-G275 PolarHBondContact O-N 3.18Å; P273-G275 VanDerWaalsContact O-N 3.12Å; G275-H277 PolarHBondContact O-N 3.15Å; G275-H277 PolarHBondContact O-ND1 3.22Å
276Y98.8Very high98.6Very high7 Ų74.8 Ų4.83%0.0273%0.029CC..EExtended strand (participates in β ladder)trans-63.7132.8177.8-88.4-82.2000110W188 H189 T190 A211 V212 L220 E221 L239 Y274W188-Y276 WeakPolarHBondContact CZ3-O 3.12Å; H189-Y276 WeakPolarHBondContact O-CA 3.16Å; T190-Y276 HydrophobicContact CG2-CD1 3.83Å; T190-Y276 HydrophobicContact CG2-CD2 3.63Å; T190-Y276 HydrophobicContact CG2-CE1 4.03Å; T190-Y276 HydrophobicContact CG2-CE2 3.87Å; T190-Y276 HydrophobicContact CG2-CG 3.62Å; A211-Y276 CarbonylContact C-O 3.02Å; A211-Y276 VanDerWaalsContact CA-O 3.28Å; A211-Y276 WeakPolarHBondContact CA-O 3.43Å; V212-Y276 PolarHBondContact N-O 3.23Å; L220-Y276 HydrophobicContact CD2-CD1 3.8Å; L220-Y276 HydrophobicContact CD2-CD2 4.16Å; L220-Y276 HydrophobicContact CD2-CG 3.59Å; E221-Y276 HydrophobicContact CG-CE2 3.97Å; E221-Y276 WeakPolarHBondContact CG-OH 3.29Å; E221-Y276 PolarHBondContact OE1-OH 3.17Å; L239-Y276 HydrophobicContact CB-CE1 4.08Å; L239-Y276 HydrophobicContact CD1-CD1 4.36Å; L239-Y276 HydrophobicContact CD1-CE1 3.53Å; L239-Y276 HydrophobicContact CG-CE1 4.43Å; Y274-Y276 AromaticContact CE2-CE2 3.99Å; Y274-Y276 HydrophobicContact CE2-CE2 3.99Å; Y274-Y276 PolarHBondContact O-N 3.49Å
277H98.9Very high98.6Very high4 Ų43.8 Ų3.82%0.0192%0.019CC..EExtended strand (participates in β ladder)trans-144.115417960.8-85.6000112.7A187 W188 H189 E191 W209 Y210 G275A187-H277 VanDerWaalsContact O-O 3.1Å; W188-H277 WeakPolarHBondContact CA-O 3.42Å; H189-H277 AromaticContact CE1-CD2 3.74Å; H189-H277 AromaticContact CE1-NE2 3.23Å; H189-H277 PolarHBondContact CE1-NE2 2.79Å; H189-H277 PolarHBondContact N-O 3.18Å; H189-H277 VanDerWaalsContact N-O 3.13Å; H189-H277 AromaticContact ND1-NE2 3.94Å; H189-H277 AromaticContact NE2-CE1 3.98Å; H189-H277 AromaticContact NE2-NE2 3.44Å; H189-H277 PolarHBondContact NE2-NE2 3.29Å; H189-H277 PolarHBondContact O-N 3.49Å; H189-H277 PolarHBondContact O-ND1 3.33Å; E191-H277 IonicContact OE1-CE1 3.56Å; E191-H277 PolarHBondContact OE1-CE1 3.44Å; E191-H277 IonicContact OE1-NE2 3.95Å; E191-H277 PolarHBondContact OE1-NE2 2.79Å; W209-H277 HydrophobicContact CE3-CB 4.5Å; W209-H277 AromaticContact CZ3-CD2 3.66Å; Y210-H277 WeakPolarHBondContact O-CA 3.42Å; Y210-H277 VanDerWaalsContact O-CB 3.31Å; Y210-H277 WeakPolarHBondContact O-CB 3.18Å; G275-H277 PolarHBondContact O-N 3.15Å; G275-H277 PolarHBondContact O-ND1 3.22Å
278A98.8Very high98.5Very high4 Ų43 Ų33%0.0332%0.015CC..EExtended strand (participates in β ladder)trans-151.9170.2177.700000109.9F186 W188 W209 Y210F186-A278 VanDerWaalsContact CE2-O 3.31Å; F186-A278 WeakPolarHBondContact CE2-O 3.47Å; F186-A278 WeakPolarHBondContact O-CA 3.35Å; W188-A278 HydrophobicContact CB-CB 4.42Å; W188-A278 HydrophobicContact CD2-CB 3.48Å; W188-A278 VanDerWaalsContact CD2-CB 3.48Å; W188-A278 HydrophobicContact CE3-CB 3.88Å; W188-A278 HydrophobicContact CG-CB 3.74Å; W188-A278 HydrophobicContact CH2-CB 4.43Å; W188-A278 HydrophobicContact CZ2-CB 4.03Å; W188-A278 HydrophobicContact CZ3-CB 4.36Å; W209-A278 CarbonylContact C-O 3.57Å; W209-A278 WeakPolarHBondContact CA-O 3.46Å; Y210-A278 PolarHBondContact N-O 3.47Å; Y210-A278 PolarHBondContact O-N 3.13Å
279G98.6Very high98.4Very high3 Ų33.5 Ų3.53%0.0312%0.019CC..EExtended strand (participates in β ladder)trans164.7-170.2176.600000115.2T185 F186 T208T185-G279 WeakPolarHBondContact CA-O 3.47Å; T185-G279 WeakPolarHBondContact CG2-O 3.37Å; F186-G279 WeakPolarHBondContact CD1-O 3.44Å; F186-G279 PolarHBondContact N-O 3.31Å; F186-G279 PolarHBondContact O-N 3.26Å; T208-G279 CarbonylContact O-C 3.54Å; T208-G279 WeakPolarHBondContact O-CA 3.36Å
280F98.8Very high98.1Very high0 Ų04 Ų40%02%0.022CC..EExtended strand (participates in β ladder)trans-149.4153.9-173.967.5-87.6000113.2E119 Y122 W182 T184 T208 Y210 H282E119-F280 HydrophobicContact CB-CZ 4.14Å; E119-F280 HydrophobicContact CG-CE1 4.36Å; E119-F280 HydrophobicContact CG-CZ 4.42Å; Y122-F280 AromaticContact CD1-CD1 3.64Å; Y122-F280 HydrophobicContact CD1-CD1 3.64Å; Y122-F280 AromaticContact CD1-CE1 3.88Å; Y122-F280 HydrophobicContact CD1-CE1 3.88Å; Y122-F280 HydrophobicContact CD1-CG 4.04Å; Y122-F280 HydrophobicContact CD1-CZ 4.46Å; Y122-F280 HydrophobicContact CD2-CB 3.76Å; Y122-F280 HydrophobicContact CD2-CD1 4.05Å; Y122-F280 AromaticContact CD2-CD2 3.68Å; Y122-F280 HydrophobicContact CD2-CD2 3.68Å; Y122-F280 HydrophobicContact CD2-CE2 4.31Å; Y122-F280 AromaticContact CD2-CG 3.55Å; Y122-F280 HydrophobicContact CD2-CG 3.55Å; Y122-F280 HydrophobicContact CE1-CB 4.3Å; Y122-F280 AromaticContact CE1-CD1 3.78Å; Y122-F280 HydrophobicContact CE1-CD1 3.78Å; Y122-F280 HydrophobicContact CE1-CE1 4.41Å; Y122-F280 HydrophobicContact CE1-CG 4.15Å; Y122-F280 HydrophobicContact CE2-CB 3.33Å; Y122-F280 HydrophobicContact CE2-CD1 4.15Å; Y122-F280 HydrophobicContact CE2-CD2 4.2Å; Y122-F280 AromaticContact CE2-CG 3.64Å; Y122-F280 HydrophobicContact CE2-CG 3.64Å; Y122-F280 HydrophobicContact CG-CB 4.39Å; Y122-F280 AromaticContact CG-CD1 3.8Å; Y122-F280 HydrophobicContact CG-CD1 3.8Å; Y122-F280 AromaticContact CG-CD2 3.91Å; Y122-F280 HydrophobicContact CG-CD2 3.91Å; Y122-F280 HydrophobicContact CG-CE1 4Å; Y122-F280 HydrophobicContact CG-CE2 4.12Å; Y122-F280 AromaticContact CG-CG 3.76Å; Y122-F280 HydrophobicContact CG-CG 3.76Å; Y122-F280 HydrophobicContact CG-CZ 4.17Å; Y122-F280 AromaticContact CZ-CG 3.95Å; W182-F280 HydrophobicContact CZ3-CD2 4.24Å; W182-F280 HydrophobicContact CZ3-CE2 4.07Å; T184-F280 CarbonylContact O-C 3.59Å; T184-F280 VanDerWaalsContact O-CA 3.26Å; T184-F280 WeakPolarHBondContact O-CA 3.45Å; T208-F280 HydrophobicContact CG2-CD1 4.37Å; T208-F280 HydrophobicContact CG2-CE1 3.72Å; T208-F280 HydrophobicContact CG2-CZ 4.17Å; T208-F280 PolarHBondContact N-O 3.14Å; T208-F280 PolarHBondContact O-N 3.28Å; Y210-F280 HydrophobicContact CE2-CD1 4.37Å; Y210-F280 HydrophobicContact CE2-CE1 4.38Å; F280-H282 AromaticContact CE2-CD2 3.63Å; F280-H282 AromaticContact CE2-NE2 3.8Å
281N98.8Very high97.7Very high0 Ų04.4 Ų4.40%02%0.024CC..EExtended strand (participates in β ladder)trans-89.4140.6175.8-60.6-64.2000111.3K183 T184 K207 N285K183-N281 PolarHBondContact N-O 2.92Å; T184-N281 PolarHBondContact O-N 3.09Å; T184-N281 PolarHBondContact O-ND2 2.61Å; T184-N281 WeakPolarHBondContact OG1-CB 3.41Å; T184-N281 PolarHBondContact OG1-ND2 2.87Å; K207-N281 PolarHBondContact NZ-OD1 3.08Å; N281-N285 PolarHBondContact OD1-ND2 2.92Å; N281-N285 PolarHBondContact OD1-OD1 2.95Å
282H98.8Very high97.3Very high2 Ų24.4 Ų4.41%0.0092%0.024CC..  trans-80-21.4-177.7-69.8-156.9000112.4T109 F115 L118 Q205 P206 T208 F280T109-H282 WeakPolarHBondContact CB-O 3.34Å; T109-H282 WeakPolarHBondContact CG2-O 3.13Å; T109-H282 PolarHBondContact OG1-O 3.3Å; F115-H282 AromaticContact CD1-CE1 3.59Å; F115-H282 AromaticContact CD1-ND1 3.83Å; F115-H282 AromaticContact CE1-ND1 3.94Å; L118-H282 HydrophobicContact CD2-CB 3.82Å; L118-H282 WeakPolarHBondContact CD2-ND1 3.38Å; Q205-H282 HydrophobicContact CB-CB 4.09Å; P206-H282 HydrophobicContact CB-CB 4.49Å; P206-H282 VanDerWaalsContact O-CB 3.29Å; P206-H282 WeakPolarHBondContact O-CB 3.37Å; P206-H282 PolarHBondContact O-CD2 3.06Å; P206-H282 PolarHBondContact O-N 2.78Å; T208-H282 PolarHBondContact OG1-NE2 3.08Å; F280-H282 AromaticContact CE2-CD2 3.63Å; F280-H282 AromaticContact CE2-NE2 3.8Å
283G98.7Very high96.7Very high1 Ų14.3 Ų4.31%0.012%0.024CC..SBendtrans177.1-158.1-177.600000110.9T109 G180 M181 N285T109-G283 WeakPolarHBondContact OG1-CA 3.34Å; G180-G283 CarbonylContact C-O 3.49Å; M181-G283 CarbonylContact C-O 3.59Å; M181-G283 VanDerWaalsContact CA-O 3.31Å; M181-G283 WeakPolarHBondContact CA-O 3.37Å; G283-N285 PolarHBondContact O-N 3.13Å
284F98.8Very high96.3Very high21 Ų214.6 Ų4.69%0.0923%0.026CC..SBendtrans-60.7120.2176.6177.4-112.2000111.1V95 Y98 R99 A102 G180 F203 G204 Q205V95-F284 HydrophobicContact CG1-CZ 4.3Å; Y98-F284 AromaticContact CD1-CD2 3.98Å; Y98-F284 HydrophobicContact CD1-CD2 3.98Å; Y98-F284 AromaticContact CD1-CE2 3.82Å; Y98-F284 HydrophobicContact CD1-CE2 3.82Å; Y98-F284 AromaticContact CE1-CD2 3.99Å; Y98-F284 HydrophobicContact CE1-CD2 3.99Å; Y98-F284 HydrophobicContact CE1-CE2 4.17Å; R99-F284 HydrophobicContact CB-CD1 4.37Å; R99-F284 HydrophobicContact CB-CD2 4.21Å; R99-F284 HydrophobicContact CB-CE1 3.97Å; R99-F284 HydrophobicContact CB-CE2 3.82Å; R99-F284 HydrophobicContact CB-CG 4.47Å; R99-F284 HydrophobicContact CB-CZ 3.68Å; R99-F284 VanDerWaalsContact CD-CE1 3.49Å; R99-F284 HydrophobicContact CG-CD1 3.75Å; R99-F284 HydrophobicContact CG-CD2 4.4Å; R99-F284 HydrophobicContact CG-CE1 3.58Å; R99-F284 HydrophobicContact CG-CE2 4.27Å; R99-F284 HydrophobicContact CG-CG 4.16Å; R99-F284 HydrophobicContact CG-CZ 3.86Å; A102-F284 HydrophobicContact CB-CB 3.91Å; A102-F284 HydrophobicContact CB-CD2 4.1Å; A102-F284 HydrophobicContact CB-CG 4.37Å; G180-F284 VanDerWaalsContact O-CA 3.26Å; G180-F284 WeakPolarHBondContact O-CA 3.33Å; F203-F284 HydrophobicContact CD2-CE1 4.4Å; F203-F284 HydrophobicContact CE2-CD1 4.45Å; F203-F284 AromaticContact CE2-CE1 3.61Å; F203-F284 HydrophobicContact CE2-CE1 3.61Å; F203-F284 AromaticContact CE2-CZ 3.79Å; F203-F284 HydrophobicContact CE2-CZ 3.79Å; F203-F284 HydrophobicContact CZ-CZ 4.32Å; G204-F284 WeakPolarHBondContact CA-O 3.48Å; Q205-F284 PolarHBondContact N-O 2.79Å
285N98.8Very high95.7Very high0 Ų05.9 Ų5.90%04%0.036CC..EExtended strand (participates in β ladder)trans-152.1170.1177.770.215.7000112.2F179 G180 L201 F203 Q205 N281 G283F179-N285 CarbonylContact C-O 3.57Å; F179-N285 WeakPolarHBondContact CA-O 3.42Å; G180-N285 WeakPolarHBondContact CA-OD1 3.11Å; G180-N285 PolarHBondContact N-O 2.96Å; G180-N285 PolarHBondContact N-OD1 3.23Å; G180-N285 VanDerWaalsContact N-OD1 3.17Å; G180-N285 PolarHBondContact O-N 2.89Å; G180-N285 VanDerWaalsContact O-N 3.16Å; L201-N285 HydrophobicContact CD1-CB 4.1Å; F203-N285 WeakPolarHBondContact O-CA 3.46Å; F203-N285 WeakPolarHBondContact O-CB 3.32Å; Q205-N285 WeakPolarHBondContact O-CB 3.41Å; Q205-N285 PolarHBondContact O-ND2 2.98Å; N281-N285 PolarHBondContact OD1-ND2 2.92Å; N281-N285 PolarHBondContact OD1-OD1 2.95Å; G283-N285 PolarHBondContact O-N 3.13Å
286C98.7Very high95.3Very high0 Ų07.2 Ų7.20%04%0.04CC..EExtended strand (participates in β ladder)trans-136.1126.3171.6-1790000109.9Y178 F179 H202 F203Y178-C286 CarbonylContact O-C 3.56Å; Y178-C286 VanDerWaalsContact O-CA 3.3Å; Y178-C286 WeakPolarHBondContact O-CA 3.23Å; F179-C286 HydrophobicContact CD1-CB 3.94Å; F179-C286 HydrophobicContact CE1-CB 3.93Å; F179-C286 WeakPolarHBondContact CE1-SG 3.31Å; H202-C286 WeakPolarHBondContact CB-O 3.38Å; H202-C286 PolarHBondContact N-O 3.31Å; F203-C286 HydrophobicContact CD1-CB 3.97Å; F203-C286 HydrophobicContact CD2-CB 4.35Å; F203-C286 HydrophobicContact CE1-CB 3.29Å; F203-C286 HydrophobicContact CE2-CB 3.71Å; F203-C286 HydrophobicContact CG-CB 4.46Å; F203-C286 HydrophobicContact CZ-CB 3.13Å; F203-C286 PolarHBondContact O-N 2.97Å; F203-C286 VanDerWaalsContact O-N 3.12Å
287A98.6Very high95Very high0 Ų06.9 Ų6.90%04%0.039CC..EExtended strand (participates in β ladder)trans-118.6152.1171.600000110.3L177 Y178 Y200 L201L177-A287 CarbonylContact C-O 3.54Å; L177-A287 WeakPolarHBondContact CA-O 3.28Å; Y178-A287 PolarHBondContact N-O 3.47Å; Y178-A287 PolarHBondContact O-N 2.79Å; Y200-A287 CarbonylContact O-C 3.27Å; Y200-A287 WeakPolarHBondContact O-CA 3.3Å; L201-A287 HydrophobicContact CD1-CB 3.94Å
288E97.7Very high94.5Very high0 Ų06.7 Ų6.70%04%0.038CC..EExtended strand (participates in β ladder)trans-117.9136.9169.7-174.4172.8143.700108.6S140 L141 F142 V151 P175 Y176 L177 N199 Y200 H202S140-E288 VanDerWaalsContact CA-OE2 3.26Å; S140-E288 WeakPolarHBondContact CA-OE2 3.33Å; S140-E288 VanDerWaalsContact CB-OE1 3.22Å; S140-E288 WeakPolarHBondContact CB-OE1 3.41Å; S140-E288 VanDerWaalsContact OG-CD 3.25Å; S140-E288 PolarHBondContact OG-OE1 2.73Å; S140-E288 PolarHBondContact OG-OE2 3.26Å; L141-E288 PolarHBondContact N-OE2 2.92Å; F142-E288 WeakPolarHBondContact CD2-OE1 3.31Å; F142-E288 WeakPolarHBondContact CD2-OE2 3.47Å; F142-E288 HydrophobicContact CE2-CB 4.5Å; V151-E288 HydrophobicContact CB-CG 4.2Å; V151-E288 HydrophobicContact CG1-CG 3.84Å; P175-E288 HydrophobicContact CB-CG 4.11Å; Y176-E288 CarbonylContact O-C 3.58Å; Y176-E288 WeakPolarHBondContact O-CA 3.39Å; L177-E288 HydrophobicContact CD2-CB 3.76Å; L177-E288 HydrophobicContact CD2-CG 3.79Å; N199-E288 CarbonylContact C-O 3.57Å; N199-E288 WeakPolarHBondContact CA-O 3.33Å; Y200-E288 PolarHBondContact N-O 3.03Å; Y200-E288 PolarHBondContact O-N 3.47Å; H202-E288 IonicContact CE1-OE2 3.26Å; H202-E288 VanDerWaalsContact NE2-CB 3.27Å; H202-E288 WeakPolarHBondContact NE2-CB 3.48Å; H202-E288 IonicContact NE2-OE2 3.55Å; H202-E288 PolarHBondContact NE2-OE2 2.95Å; H202-E288 VanDerWaalsContact NE2-OE2 3.11Å
289A95.1Very high94.2Very high11 Ų118.2 Ų8.29%0.0915%0.046CC..EExtended strand (participates in β ladder)trans-143.4154177.500000112.7P175 Y176 Y178 I198 N199P175-A289 WeakPolarHBondContact CA-O 3.44Å; Y176-A289 PolarHBondContact N-O 3.14Å; Y176-A289 PolarHBondContact O-N 3.48Å; Y178-A289 HydrophobicContact CD2-CB 4.46Å; Y178-A289 HydrophobicContact CE2-CB 3.84Å; I198-A289 WeakPolarHBondContact O-CA 3.26Å; I198-A289 WeakPolarHBondContact O-CB 3.36Å; N199-A289 HydrophobicContact CB-CB 4.18Å
290I92.6Very high93.9Very high11 Ų118.5 Ų8.56%0.0565%0.046CC..EExtended strand (participates in β ladder)trans-147.1154.5173.2-160.1174.6000108.9V151 L154 S197 I198V151-I290 HydrophobicContact CG1-CB 3.91Å; V151-I290 HydrophobicContact CG1-CG2 3.67Å; V151-I290 WeakPolarHBondContact O-CG2 3.26Å; L154-I290 HydrophobicContact CD1-CG2 3.46Å; L154-I290 VanDerWaalsContact CD1-CG2 3.46Å; L154-I290 HydrophobicContact CG-CG2 4.35Å; S197-I290 WeakPolarHBondContact CA-O 3.39Å; I198-I290 HydrophobicContact CG2-CG2 3.71Å; I198-I290 PolarHBondContact N-O 3.02Å; I198-I290 PolarHBondContact O-N 3.3Å
291N91.3Very high93.5Very high9 Ų98.6 Ų8.65%0.0485%0.047CC..EExtended strand (participates in β ladder)trans-79.9152.7165.7-62.4118.7000111.6G171 V172 E191 L195 Y196G171-N291 PolarHBondContact O-OD1 2.81Å; V172-N291 HydrophobicContact CG1-CB 4.41Å; E191-N291 WeakPolarHBondContact CB-ND2 3.01Å; E191-N291 VanDerWaalsContact CD-ND2 3.29Å; E191-N291 WeakPolarHBondContact CG-ND2 3.47Å; E191-N291 PolarHBondContact OE2-ND2 3.23Å; L195-N291 HydrophobicContact CB-CB 4.08Å; L195-N291 HydrophobicContact CD1-CB 3.88Å; Y196-N291 WeakPolarHBondContact O-CA 3.42Å; Y196-N291 WeakPolarHBondContact O-CB 3.38Å; Y196-N291 PolarHBondContact O-ND2 3.11Å
292F89.6Confident93.1Very high0 Ų010.4 Ų10.40%06%0.055CC..EExtended strand (participates in β ladder)trans-144.5164.6169.772-83.5000111.7F28 I32 L154 T156 Q158 L195 Y196 I198 V270 T294F28-F292 HydrophobicContact CE1-CD1 4.48Å; F28-F292 AromaticContact CE1-CD2 3.75Å; F28-F292 HydrophobicContact CE1-CD2 3.75Å; F28-F292 AromaticContact CE1-CE2 3.83Å; F28-F292 HydrophobicContact CE1-CE2 3.83Å; F28-F292 HydrophobicContact CE1-CG 4.1Å; F28-F292 HydrophobicContact CE1-CZ 4.23Å; F28-F292 HydrophobicContact CZ-CD1 4.11Å; F28-F292 HydrophobicContact CZ-CD2 4.02Å; F28-F292 AromaticContact CZ-CE1 3.87Å; F28-F292 HydrophobicContact CZ-CE1 3.87Å; F28-F292 AromaticContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CG 4.18Å; F28-F292 AromaticContact CZ-CZ 3.7Å; F28-F292 HydrophobicContact CZ-CZ 3.7Å; I32-F292 HydrophobicContact CD1-CE2 4.37Å; I32-F292 HydrophobicContact CD1-CZ 3.97Å; I32-F292 HydrophobicContact CG1-CE2 4.12Å; I32-F292 HydrophobicContact CG1-CZ 4.23Å; I32-F292 HydrophobicContact CG2-CE2 4.25Å; L154-F292 HydrophobicContact CD1-CB 4.06Å; L154-F292 HydrophobicContact CD1-CD1 4.39Å; L154-F292 HydrophobicContact CD1-CG 4.41Å; T156-F292 HydrophobicContact CG2-CB 4.08Å; T156-F292 HydrophobicContact CG2-CD2 4.47Å; Q158-F292 VanDerWaalsContact CD-CA 3.46Å; L195-F292 WeakPolarHBondContact CD2-O 3.37Å; Y196-F292 VanDerWaalsContact CB-CE1 3.41Å; Y196-F292 WeakPolarHBondContact CB-O 3.15Å; Y196-F292 HydrophobicContact CD1-CE1 4.49Å; Y196-F292 AromaticContact CD1-CE2 3.87Å; Y196-F292 HydrophobicContact CD1-CE2 3.87Å; Y196-F292 AromaticContact CD1-CZ 3.67Å; Y196-F292 HydrophobicContact CD1-CZ 3.67Å; Y196-F292 HydrophobicContact CD2-CE2 4.29Å; Y196-F292 HydrophobicContact CG-CD2 4.25Å; Y196-F292 HydrophobicContact CG-CE1 4.27Å; Y196-F292 AromaticContact CG-CE2 3.71Å; Y196-F292 HydrophobicContact CG-CE2 3.71Å; Y196-F292 AromaticContact CG-CZ 3.72Å; Y196-F292 HydrophobicContact CG-CZ 3.72Å; Y196-F292 PolarHBondContact N-O 2.78Å; Y196-F292 VanDerWaalsContact N-O 3.12Å; Y196-F292 PolarHBondContact O-N 2.64Å; I198-F292 HydrophobicContact CB-CD1 4.24Å; I198-F292 HydrophobicContact CB-CE1 4Å; I198-F292 HydrophobicContact CG2-CD1 4.16Å; I198-F292 HydrophobicContact CG2-CE1 4.41Å; V270-F292 HydrophobicContact CG1-CE1 4.19Å; V270-F292 HydrophobicContact CG1-CZ 3.92Å; F292-T294 HydrophobicContact CD2-CG2 4.31Å; F292-T294 HydrophobicContact CE2-CG2 4.03Å
293A86.9Confident92.7Very high1 Ų114.5 Ų14.51%0.0088%0.08CC..  trans-129.6145.7-176.200000110.9I157 Q158 L195 W297I157-A293 HydrophobicContact CB-CB 4.37Å; I157-A293 HydrophobicContact CG2-CB 4.42Å; Q158-A293 VanDerWaalsContact CD-N 3.34Å; Q158-A293 VanDerWaalsContact NE2-CB 3.26Å; L195-A293 HydrophobicContact CD2-CB 3.74Å; A293-W297 HydrophobicContact CB-CD2 4.11Å; A293-W297 HydrophobicContact CB-CE3 3.59Å; A293-W297 HydrophobicContact CB-CZ3 4.01Å
294T87.1Confident92.3Very high6 Ų615.1 Ų15.14%0.0378%0.084CC..  trans-124.2161.9170.1780000108.2I32 Y196 F292 R296 W297I32-T294 HydrophobicContact CG2-CG2 4.11Å; Y196-T294 HydrophobicContact CD2-CG2 4.22Å; Y196-T294 HydrophobicContact CE1-CG2 4.43Å; Y196-T294 HydrophobicContact CE2-CG2 3.75Å; Y196-T294 VanDerWaalsContact CE2-OG1 3.29Å; Y196-T294 WeakPolarHBondContact CE2-OG1 3.48Å; Y196-T294 PolarHBondContact OH-OG1 3.28Å; Y196-T294 VanDerWaalsContact OH-OG1 3.11Å; F292-T294 HydrophobicContact CD2-CG2 4.31Å; F292-T294 HydrophobicContact CE2-CG2 4.03Å; T294-R296 PolarHBondContact O-N 3.1Å; T294-R296 VanDerWaalsContact O-N 3.07Å; T294-R296 PolarHBondContact OG1-N 2.89Å; T294-W297 WeakPolarHBondContact O-CB 3.26Å; T294-W297 PolarHBondContact O-N 2.91Å
295P86.2Confident91.8Very high42 Ų4215.9 Ų15.927%0.2739%0.093SC..THydrogen-bonded Turntrans-45.6-35.9170.9-31.428.5000115.1I157 W297 I298 M348 L355I157-P295 HydrophobicContact CD1-CG 4.34Å; P295-W297 VanDerWaalsContact C-N 3.28Å; P295-W297 PolarHBondContact O-N 2.91Å; P295-I298 VanDerWaalsContact O-CG1 3.28Å; P295-I298 WeakPolarHBondContact O-CG1 3.44Å; P295-I298 PolarHBondContact O-N 2.59Å; P295-M348 HydrophobicContact CB-CE 3.82Å; P295-M348 HydrophobicContact CG-CE 3.57Å; P295-L355 HydrophobicContact CG-CD1 4.21Å
296R89.9Confident91.3Very high30 Ų3019.8 Ų19.811%0.11311%0.111CC..THydrogen-bonded Turntrans-64.2-31.6179.4-165.4-179.478.979.710.3112.9E36 Y196 T294 I298 Y300 E346 M348E36-R296 IonicContact OE1-CZ 3.75Å; E36-R296 IonicContact OE1-NE 3.57Å; E36-R296 PolarHBondContact OE1-NE 3.24Å; E36-R296 IonicContact OE1-NH2 2.8Å; E36-R296 PolarHBondContact OE1-NH2 3.17Å; E36-R296 WeakPolarHBondContact OE2-CD 3.39Å; E36-R296 IonicContact OE2-NE 2.93Å; E36-R296 PolarHBondContact OE2-NE 3.33Å; Y196-R296 PolarHBondContact OH-NE 3.48Å; Y196-R296 VanDerWaalsContact OH-NE 3.11Å; Y196-R296 PolarHBondContact OH-NH2 3Å; T294-R296 PolarHBondContact O-N 3.1Å; T294-R296 VanDerWaalsContact O-N 3.07Å; T294-R296 PolarHBondContact OG1-N 2.89Å; R296-I298 VanDerWaalsContact C-N 3.27Å; R296-I298 PolarHBondContact O-N 3.03Å; R296-Y300 VanDerWaalsContact NH1-CE2 3.32Å; R296-Y300 PolarHBondContact NH1-OH 2.88Å; R296-E346 WeakPolarHBondContact CD-O 3.3Å; R296-M348 HydrophobicContact CB-CG 4.1Å
297W91.6Very high90.9Very high0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-69.4-22.1-178.8159.680.5000113.4M193 D194 L195 Y196 P273 A293 T294 P295 D299 Y300 G301 F316 M318 F321M193-W297 HydrophobicContact CB-CZ2 4.21Å; M193-W297 PolarHBondContact O-NE1 2.9Å; D194-W297 PolarHBondContact O-NE1 2.79Å; L195-W297 HydrophobicContact CD2-CD2 3.59Å; L195-W297 HydrophobicContact CD2-CE3 4.14Å; L195-W297 HydrophobicContact CD2-CG 4.07Å; L195-W297 HydrophobicContact CD2-CH2 4.03Å; L195-W297 HydrophobicContact CD2-CZ2 3.49Å; L195-W297 VanDerWaalsContact CD2-CZ2 3.49Å; L195-W297 HydrophobicContact CD2-CZ3 4.33Å; L195-W297 HydrophobicContact CG-CD2 4.49Å; L195-W297 HydrophobicContact CG-CZ2 3.86Å; Y196-W297 HydrophobicContact CD2-CB 4.11Å; Y196-W297 HydrophobicContact CE2-CB 3.68Å; P273-W297 HydrophobicContact CG-CB 4Å; P273-W297 HydrophobicContact CG-CG 4.48Å; A293-W297 HydrophobicContact CB-CD2 4.11Å; A293-W297 HydrophobicContact CB-CE3 3.59Å; A293-W297 HydrophobicContact CB-CZ3 4.01Å; T294-W297 WeakPolarHBondContact O-CB 3.26Å; T294-W297 PolarHBondContact O-N 2.91Å; P295-W297 VanDerWaalsContact C-N 3.28Å; P295-W297 PolarHBondContact O-N 2.91Å; W297-D299 VanDerWaalsContact C-N 3.26Å; W297-D299 PolarHBondContact O-N 3.22Å; W297-D299 VanDerWaalsContact O-N 3.15Å; W297-Y300 WeakPolarHBondContact O-CA 3.43Å; W297-Y300 VanDerWaalsContact O-CB 3.28Å; W297-Y300 WeakPolarHBondContact O-CB 3.44Å; W297-Y300 PolarHBondContact O-N 2.6Å; W297-G301 PolarHBondContact O-N 3.12Å; W297-F316 AromaticContact CH2-CE2 3.82Å; W297-F316 HydrophobicContact CH2-CE2 3.82Å; W297-F316 AromaticContact CH2-CZ 3.93Å; W297-F316 HydrophobicContact CH2-CZ 3.93Å; W297-F316 HydrophobicContact CZ2-CE2 4.14Å; W297-F316 AromaticContact CZ2-CZ 3.85Å; W297-F316 HydrophobicContact CZ2-CZ 3.85Å; W297-M318 HydrophobicContact CH2-CE 3.55Å; W297-M318 HydrophobicContact CH2-SD 3.52Å; W297-M318 VanDerWaalsContact CH2-SD 3.52Å; W297-M318 HydrophobicContact CZ2-CE 4.05Å; W297-M318 HydrophobicContact CZ2-SD 3.85Å; W297-M318 HydrophobicContact CZ3-CE 3.87Å; W297-M318 HydrophobicContact CZ3-SD 4.4Å; W297-F321 HydrophobicContact CE3-CD1 4.47Å; W297-F321 AromaticContact CH2-CD1 3.91Å; W297-F321 HydrophobicContact CH2-CD1 3.91Å; W297-F321 HydrophobicContact CH2-CD2 4.31Å; W297-F321 AromaticContact CH2-CE1 3.69Å; W297-F321 HydrophobicContact CH2-CE1 3.69Å; W297-F321 HydrophobicContact CH2-CE2 4.2Å; W297-F321 HydrophobicContact CH2-CG 4.14Å; W297-F321 AromaticContact CH2-CZ 3.84Å; W297-F321 HydrophobicContact CH2-CZ 3.84Å; W297-F321 HydrophobicContact CZ3-CB 4.45Å; W297-F321 AromaticContact CZ3-CD1 3.37Å; W297-F321 HydrophobicContact CZ3-CD1 3.37Å; W297-F321 AromaticContact CZ3-CE1 3.4Å; W297-F321 HydrophobicContact CZ3-CE1 3.4Å; W297-F321 AromaticContact CZ3-CG 3.91Å; W297-F321 HydrophobicContact CZ3-CG 3.91Å; W297-F321 HydrophobicContact CZ3-CZ 4.05Å
298I89.1Confident90.3Very high0 Ų024.6 Ų24.60%015%0.145CC..Hα-helixtrans-55.6-42.8-171.6-58.4-71.1000112.1P295 R296 Y300 G301 K302 M318 F321 V322 L325 Q326P295-I298 VanDerWaalsContact O-CG1 3.28Å; P295-I298 WeakPolarHBondContact O-CG1 3.44Å; P295-I298 PolarHBondContact O-N 2.59Å; R296-I298 VanDerWaalsContact C-N 3.27Å; R296-I298 PolarHBondContact O-N 3.03Å; I298-Y300 VanDerWaalsContact C-N 3.34Å; I298-Y300 PolarHBondContact O-N 2.9Å; I298-G301 PolarHBondContact O-N 3.31Å; I298-K302 WeakPolarHBondContact O-CG 3.35Å; I298-K302 PolarHBondContact O-N 3.11Å; I298-K302 VanDerWaalsContact O-N 3.09Å; I298-M318 HydrophobicContact CG2-CE 4.38Å; I298-F321 HydrophobicContact CD1-CB 3.68Å; I298-F321 HydrophobicContact CD1-CD1 4.01Å; I298-F321 HydrophobicContact CD1-CG 4.29Å; I298-V322 HydrophobicContact CG2-CG2 4.08Å; I298-L325 HydrophobicContact CD1-CB 4.32Å; I298-L325 HydrophobicContact CD1-CD1 3.46Å; I298-L325 VanDerWaalsContact CD1-CD1 3.46Å; I298-L325 HydrophobicContact CD1-CG 4.5Å; I298-L325 HydrophobicContact CG1-CB 4.36Å; I298-L325 HydrophobicContact CG1-CD1 4.08Å; I298-Q326 HydrophobicContact CG2-CG 4.25Å
299D91.9Very high89.8Confident35 Ų3527.4 Ų27.419%0.18716%0.163CC..Hα-helixtrans-71-28.2178.8-72-36.9000112.8W297 K302 V303 Q326 R329 V342W297-D299 VanDerWaalsContact C-N 3.26Å; W297-D299 PolarHBondContact O-N 3.22Å; W297-D299 VanDerWaalsContact O-N 3.15Å; D299-K302 IonicContact OD1-NZ 3.52Å; D299-K302 PolarHBondContact OD1-NZ 2.85Å; D299-V303 WeakPolarHBondContact O-CG2 3.37Å; D299-Q326 PolarHBondContact OD2-NE2 3.38Å; D299-R329 IonicContact OD1-CZ 3.2Å; D299-R329 IonicContact OD1-NH1 2.63Å; D299-R329 PolarHBondContact OD1-NH1 2.67Å; D299-R329 VanDerWaalsContact OD1-NH1 3.14Å; D299-R329 IonicContact OD1-NH2 2.76Å; D299-R329 PolarHBondContact OD1-NH2 2.96Å; D299-R329 IonicContact OD2-CZ 2.91Å; D299-R329 IonicContact OD2-NH1 3.73Å; D299-R329 PolarHBondContact OD2-NH1 2.83Å; D299-R329 IonicContact OD2-NH2 3.18Å; D299-V342 HydrophobicContact CB-CG2 4.29Å
300Y93.2Very high89.1Confident9 Ų929.2 Ų29.24%0.03518%0.183CC..Hα-helixtrans-66.8-48.5168.5-70.6-102000111.2P273 R296 W297 I298 K302 V303 A304 V342 H344P273-Y300 HydrophobicContact CB-CD1 3.55Å; P273-Y300 HydrophobicContact CB-CD2 3.81Å; P273-Y300 HydrophobicContact CB-CE1 3.74Å; P273-Y300 HydrophobicContact CB-CE2 4.02Å; P273-Y300 HydrophobicContact CB-CG 3.55Å; P273-Y300 WeakPolarHBondContact O-CE1 3.47Å; R296-Y300 VanDerWaalsContact NH1-CE2 3.32Å; R296-Y300 PolarHBondContact NH1-OH 2.88Å; W297-Y300 WeakPolarHBondContact O-CA 3.43Å; W297-Y300 VanDerWaalsContact O-CB 3.28Å; W297-Y300 WeakPolarHBondContact O-CB 3.44Å; W297-Y300 PolarHBondContact O-N 2.6Å; I298-Y300 VanDerWaalsContact C-N 3.34Å; I298-Y300 PolarHBondContact O-N 2.9Å; Y300-K302 VanDerWaalsContact C-N 3.26Å; Y300-K302 PolarHBondContact O-N 2.91Å; Y300-V303 CarbonylContact O-C 3.57Å; Y300-V303 PolarHBondContact O-N 3.16Å; Y300-V303 VanDerWaalsContact O-N 3.09Å; Y300-A304 PolarHBondContact O-N 2.88Å; Y300-V342 HydrophobicContact CD1-CG1 3.83Å; Y300-V342 HydrophobicContact CD2-CG1 3.85Å; Y300-V342 HydrophobicContact CE1-CG1 3.48Å; Y300-V342 VanDerWaalsContact CE1-CG1 3.48Å; Y300-V342 HydrophobicContact CE2-CG1 3.46Å; Y300-V342 VanDerWaalsContact CE2-CG1 3.46Å; Y300-V342 HydrophobicContact CG-CG1 4.03Å; Y300-V342 HydrophobicContact CG-CG2 4.49Å; Y300-H344 AromaticContact CE1-CE1 3.78Å; Y300-H344 AromaticContact CE1-ND1 3.54Å; Y300-H344 AromaticContact CZ-ND1 3.65Å; Y300-H344 PolarHBondContact OH-ND1 3.06Å; Y300-H344 VanDerWaalsContact OH-ND1 3.14Å
301G90.5Very high88.2Confident2 Ų235.9 Ų35.92%0.02121%0.214CC..Hα-helixtrans-60-33-179.500000113.4M193 W297 I298 V303M193-G301 VanDerWaalsContact CE-O 3.26Å; M193-G301 WeakPolarHBondContact CE-O 3.46Å; W297-G301 PolarHBondContact O-N 3.12Å; I298-G301 PolarHBondContact O-N 3.31Å; G301-V303 VanDerWaalsContact C-N 3.32Å; G301-V303 PolarHBondContact O-N 2.74Å
302K89.4Confident87.5Confident39 Ų3936.6 Ų36.617%0.1722%0.222CC..Hα-helixtrans-64.1-32.5175.5-73174.6-174.3166.20113.8I298 D299 Y300 V322 Q326 D338I298-K302 WeakPolarHBondContact O-CG 3.35Å; I298-K302 PolarHBondContact O-N 3.11Å; I298-K302 VanDerWaalsContact O-N 3.09Å; D299-K302 IonicContact OD1-NZ 3.52Å; D299-K302 PolarHBondContact OD1-NZ 2.85Å; Y300-K302 VanDerWaalsContact C-N 3.26Å; Y300-K302 PolarHBondContact O-N 2.91Å; K302-V322 HydrophobicContact CD-CG2 4.41Å; K302-V322 VanDerWaalsContact CE-CG2 3.41Å; K302-V322 HydrophobicContact CG-CG2 4.24Å; K302-Q326 VanDerWaalsContact CE-OE1 3.3Å; K302-D338 IonicContact NZ-OD2 3.95Å; K302-D338 PolarHBondContact NZ-OD2 3.47Å
303V90.5Very high86.6Confident88 Ų8845 Ų4553%0.53325%0.253SS..Hα-helixtrans-112.84.6-173.7-550000113.3D299 Y300 G301 S305 V342D299-V303 WeakPolarHBondContact O-CG2 3.37Å; Y300-V303 CarbonylContact O-C 3.57Å; Y300-V303 PolarHBondContact O-N 3.16Å; Y300-V303 VanDerWaalsContact O-N 3.09Å; G301-V303 VanDerWaalsContact C-N 3.32Å; G301-V303 PolarHBondContact O-N 2.74Å; V303-S305 PolarHBondContact O-N 3.23Å; V303-V342 HydrophobicContact CG2-CG2 3.86Å
304A90.9Very high85.8Confident13 Ų1347.4 Ų47.411%0.10727%0.268CS..  trans-58.4130.4-177.300000111.5M193 D194 Y300M193-A304 HydrophobicContact CE-CB 4.3Å; D194-A304 HydrophobicContact CB-CB 4.29Å; D194-A304 WeakPolarHBondContact OD2-CA 3.5Å; D194-A304 WeakPolarHBondContact OD2-CB 3.28Å; Y300-A304 PolarHBondContact O-N 2.88Å
305S88.2Confident85Confident38 Ų3850.1 Ų50.127%0.26629%0.287SS..  trans-72.213517566.60000110.8R240 V303R240-S305 PolarHBondContact NE-O 3.48Å; R240-S305 PolarHBondContact NH2-O 3.09Å; V303-S305 PolarHBondContact O-N 3.23Å
306Q88.1Confident84.5Confident81 Ų8149 Ų4938%0.37928%0.278SS..  trans-114.7147.6-178.5-61.5-176.827.300111.3M193 A237 S308 S315M193-Q306 HydrophobicContact SD-CG 4.18Å; A237-Q306 WeakPolarHBondContact CB-O 3.11Å; Q306-S308 PolarHBondContact O-N 3.12Å; Q306-S315 PolarHBondContact OE1-OG 3.32Å
307C89.6Confident84.1Confident5 Ų551.3 Ų51.33%0.03430%0.298CS..  trans-61.6121.9169.2173.10000109.8R240 H241 C309 A312R240-C307 HydrophobicContact CB-CB 4.37Å; H241-C307 PolarHBondContact NE2-SG 2.95Å; C307-C309 PolarHBondContact SG-SG 2.86Å; C307-A312 HydrophobicContact CB-CB 4.35Å
308S86.8Confident83.8Confident97 Ų9751.9 Ų51.968%0.67830%0.301SS*.SBendtrans-96.5-13.6-18059.70000113.7Q306Q306-S308 PolarHBondContact O-N 3.12Å
309C88.1Confident83.6Confident58 Ų5853.6 Ų53.639%0.39231%0.311SS..SBendtrans-89.6-6.9-17869.80000114.1C235 H241 C307C235-C309 HydrophobicContact CB-CB 4.22Å; H241-C309 PolarHBondContact CE1-SG 2.84Å; H241-C309 PolarHBondContact NE2-SG 3.42Å; C307-C309 PolarHBondContact SG-SG 2.86Å
310G79.3Confident83.1Confident50 Ų5052.5 Ų52.552%0.51531%0.306SS..SBendtrans88.4-8177.500000115.8A312G310-A312 PolarHBondContact O-N 2.97Å
311E74.7Confident82.5Confident150 Ų15052.7 Ų52.770%0.70131%0.307SS*.THydrogen-bonded Turntrans-66.4-33.3-178.2-70.5-174.217400114H241H241-E311 IonicContact CE1-OE2 3.66Å; H241-E311 PolarHBondContact CE1-OE2 3.34Å; H241-E311 IonicContact CG-OE2 2.68Å; H241-E311 IonicContact ND1-OE2 3.86Å; H241-E311 PolarHBondContact ND1-OE2 3.43Å
312A75Confident82.3Confident25 Ų2552.6 Ų52.621%0.20731%0.306CS..THydrogen-bonded Turntrans-139.138.2-175.300000111.5R240 C307 G310 V314R240-A312 HydrophobicContact CB-CB 4.42Å; R240-A312 WeakPolarHBondContact O-CB 3.43Å; C307-A312 HydrophobicContact CB-CB 4.35Å; G310-A312 PolarHBondContact O-N 2.97Å; A312-V314 PolarHBondContact O-N 2.85Å; A312-V314 VanDerWaalsContact O-N 3.12Å
313R71.6Confident82Confident176 Ų17656.7 Ų56.766%0.66432%0.321SS*.  trans-79.498.8-175.5-170.4177.9-177.6-177.50.1110.6
314V70.3Confident81.4Confident52 Ų5254 Ų5432%0.31530%0.303SS..  trans-109.6114163.1-177.60000107.1I169 V172 D192 A312I169-V314 HydrophobicContact CG2-CG1 4.42Å; V172-V314 HydrophobicContact CG2-CG1 4.38Å; D192-V314 HydrophobicContact CB-CB 4.11Å; D192-V314 HydrophobicContact CB-CG1 4Å; A312-V314 PolarHBondContact O-N 2.85Å; A312-V314 VanDerWaalsContact O-N 3.12Å
315S70.1Confident80.9Confident63 Ų6355.2 Ų55.244%0.44131%0.308SS..  trans-139.3133.3178.2178.80000108.8Q306Q306-S315 PolarHBondContact OE1-OG 3.32Å
316F76Confident80.7Confident19 Ų1954.4 Ų54.48%0.08330%0.299CS..  trans-130.2159.2169.657.5-97.8000109.5I169 V172 M193 L195 W297 M318 F321I169-F316 HydrophobicContact CD1-CB 3.41Å; I169-F316 VanDerWaalsContact CD1-CB 3.41Å; I169-F316 HydrophobicContact CD1-CD1 3.56Å; I169-F316 HydrophobicContact CD1-CD2 4.27Å; I169-F316 HydrophobicContact CD1-CE1 4.36Å; I169-F316 HydrophobicContact CD1-CG 3.48Å; I169-F316 VanDerWaalsContact CD1-CG 3.48Å; I169-F316 HydrophobicContact CG1-CB 4.37Å; V172-F316 HydrophobicContact CG1-CE1 4.14Å; M193-F316 HydrophobicContact CB-CE1 3.82Å; M193-F316 HydrophobicContact CB-CZ 3.74Å; M193-F316 HydrophobicContact CG-CD1 3.93Å; M193-F316 HydrophobicContact CG-CE1 3.43Å; M193-F316 VanDerWaalsContact CG-CE1 3.43Å; M193-F316 HydrophobicContact CG-CE2 4.38Å; M193-F316 HydrophobicContact CG-CZ 3.7Å; L195-F316 HydrophobicContact CD1-CE1 4.1Å; L195-F316 HydrophobicContact CD1-CZ 4.01Å; W297-F316 AromaticContact CH2-CE2 3.82Å; W297-F316 HydrophobicContact CH2-CE2 3.82Å; W297-F316 AromaticContact CH2-CZ 3.93Å; W297-F316 HydrophobicContact CH2-CZ 3.93Å; W297-F316 HydrophobicContact CZ2-CE2 4.14Å; W297-F316 AromaticContact CZ2-CZ 3.85Å; W297-F316 HydrophobicContact CZ2-CZ 3.85Å; F316-M318 HydrophobicContact CE2-SD 4.02Å; F316-M318 PolarHBondContact O-N 3.16Å; F316-F321 HydrophobicContact CD2-CD2 4.32Å; F316-F321 AromaticContact CD2-CE2 3.5Å; F316-F321 HydrophobicContact CD2-CE2 3.5Å; F316-F321 VanDerWaalsContact CD2-CE2 3.5Å; F316-F321 HydrophobicContact CD2-CZ 4.18Å; F316-F321 HydrophobicContact CE2-CD2 4.06Å; F316-F321 AromaticContact CE2-CE2 3.23Å; F316-F321 HydrophobicContact CE2-CE2 3.23Å; F316-F321 AromaticContact CE2-CZ 3.58Å; F316-F321 HydrophobicContact CE2-CZ 3.58Å; F316-F321 HydrophobicContact CZ-CE2 4.31Å; F316-F321 HydrophobicContact CZ-CZ 4.27Å
317S81Confident80.7Confident77 Ų7754.2 Ų54.254%0.53831%0.305SS..  trans-72.1123-175.8-173.80000110.8D319S317-D319 PolarHBondContact O-N 3.43Å; S317-D319 WeakPolarHBondContact OG-CB 3.34Å; S317-D319 PolarHBondContact OG-N 2.54Å
318M85.3Confident80.7Confident13 Ų1360.1 Ų60.16%0.06433%0.332CS..SBendtrans-69.4-10.1169.2-69.8-57-62.600112.5M193 W297 I298 F316 A320 F321 V322 W333M193-M318 HydrophobicContact CE-CG 4.1Å; M193-M318 HydrophobicContact CE-SD 4.18Å; W297-M318 HydrophobicContact CH2-CE 3.55Å; W297-M318 HydrophobicContact CH2-SD 3.52Å; W297-M318 VanDerWaalsContact CH2-SD 3.52Å; W297-M318 HydrophobicContact CZ2-CE 4.05Å; W297-M318 HydrophobicContact CZ2-SD 3.85Å; W297-M318 HydrophobicContact CZ3-CE 3.87Å; W297-M318 HydrophobicContact CZ3-SD 4.4Å; I298-M318 HydrophobicContact CG2-CE 4.38Å; F316-M318 HydrophobicContact CE2-SD 4.02Å; F316-M318 PolarHBondContact O-N 3.16Å; M318-A320 PolarHBondContact O-N 2.81Å; M318-F321 HydrophobicContact CE-CB 4.14Å; M318-F321 HydrophobicContact CE-CG 4.5Å; M318-F321 WeakPolarHBondContact O-CB 3.31Å; M318-F321 PolarHBondContact O-N 3.2Å; M318-F321 VanDerWaalsContact O-N 3.15Å; M318-F321 HydrophobicContact SD-CD2 4.39Å; M318-V322 HydrophobicContact CB-CG2 4.43Å; M318-V322 WeakPolarHBondContact O-CG2 3.29Å; M318-V322 PolarHBondContact O-N 3.25Å; M318-W333 HydrophobicContact CB-CH2 4.1Å; M318-W333 HydrophobicContact CB-CZ2 3.82Å
319D85.5Confident80.9Confident36 Ų3658 Ų5819%0.19331%0.309CS..Hα-helixtrans-56.2-50.5-173.7-171.6105.7000113S317 F321 V322 R323 Y330 W333 K334S317-D319 PolarHBondContact O-N 3.43Å; S317-D319 WeakPolarHBondContact OG-CB 3.34Å; S317-D319 PolarHBondContact OG-N 2.54Å; D319-F321 VanDerWaalsContact C-N 3.31Å; D319-F321 PolarHBondContact O-N 2.83Å; D319-V322 PolarHBondContact O-N 3.44Å; D319-R323 WeakPolarHBondContact O-CB 3.47Å; D319-R323 PolarHBondContact O-N 2.77Å; D319-Y330 PolarHBondContact OD1-OH 3.03Å; D319-Y330 PolarHBondContact OD2-OH 3.49Å; D319-W333 HydrophobicContact CB-CH2 4.14Å; D319-W333 HydrophobicContact CB-CZ3 4.15Å; D319-K334 WeakPolarHBondContact OD1-CD 3.41Å; D319-K334 IonicContact OD1-NZ 3.46Å; D319-K334 PolarHBondContact OD1-NZ 2.79Å
320A80.5Confident81Confident12 Ų1257 Ų5710%0.09930%0.298CS..Hα-helixtrans-62.3-40.7178.900000111.8L161 M318 R323 I324L161-A320 HydrophobicContact CD2-CB 3.63Å; M318-A320 PolarHBondContact O-N 2.81Å; A320-R323 PolarHBondContact O-N 3.04Å; A320-I324 VanDerWaalsContact O-CB 3.29Å; A320-I324 WeakPolarHBondContact O-CB 3.4Å; A320-I324 WeakPolarHBondContact O-CD1 3.5Å; A320-I324 WeakPolarHBondContact O-CG1 3.36Å; A320-I324 PolarHBondContact O-N 2.83Å
321F81.3Confident81.6Confident12 Ų1259.8 Ų59.85%0.05330%0.297CS..Hα-helixtrans-63.6-50179.1-70.5-88.6000111.9I157 L161 W297 I298 F316 M318 D319 I324 L325I157-F321 HydrophobicContact CG2-CD1 3.98Å; I157-F321 HydrophobicContact CG2-CE1 3.92Å; L161-F321 HydrophobicContact CD1-CD1 3.4Å; L161-F321 HydrophobicContact CD1-CD2 3.76Å; L161-F321 HydrophobicContact CD1-CE1 2.97Å; L161-F321 HydrophobicContact CD1-CE2 3.3Å; L161-F321 HydrophobicContact CD1-CG 3.82Å; L161-F321 HydrophobicContact CD1-CZ 2.93Å; L161-F321 HydrophobicContact CG-CE1 4.36Å; L161-F321 HydrophobicContact CG-CZ 4.42Å; W297-F321 HydrophobicContact CE3-CD1 4.47Å; W297-F321 AromaticContact CH2-CD1 3.91Å; W297-F321 HydrophobicContact CH2-CD1 3.91Å; W297-F321 HydrophobicContact CH2-CD2 4.31Å; W297-F321 AromaticContact CH2-CE1 3.69Å; W297-F321 HydrophobicContact CH2-CE1 3.69Å; W297-F321 HydrophobicContact CH2-CE2 4.2Å; W297-F321 HydrophobicContact CH2-CG 4.14Å; W297-F321 AromaticContact CH2-CZ 3.84Å; W297-F321 HydrophobicContact CH2-CZ 3.84Å; W297-F321 HydrophobicContact CZ3-CB 4.45Å; W297-F321 AromaticContact CZ3-CD1 3.37Å; W297-F321 HydrophobicContact CZ3-CD1 3.37Å; W297-F321 AromaticContact CZ3-CE1 3.4Å; W297-F321 HydrophobicContact CZ3-CE1 3.4Å; W297-F321 AromaticContact CZ3-CG 3.91Å; W297-F321 HydrophobicContact CZ3-CG 3.91Å; W297-F321 HydrophobicContact CZ3-CZ 4.05Å; I298-F321 HydrophobicContact CD1-CB 3.68Å; I298-F321 HydrophobicContact CD1-CD1 4.01Å; I298-F321 HydrophobicContact CD1-CG 4.29Å; F316-F321 HydrophobicContact CD2-CD2 4.32Å; F316-F321 AromaticContact CD2-CE2 3.5Å; F316-F321 HydrophobicContact CD2-CE2 3.5Å; F316-F321 VanDerWaalsContact CD2-CE2 3.5Å; F316-F321 HydrophobicContact CD2-CZ 4.18Å; F316-F321 HydrophobicContact CE2-CD2 4.06Å; F316-F321 AromaticContact CE2-CE2 3.23Å; F316-F321 HydrophobicContact CE2-CE2 3.23Å; F316-F321 AromaticContact CE2-CZ 3.58Å; F316-F321 HydrophobicContact CE2-CZ 3.58Å; F316-F321 HydrophobicContact CZ-CE2 4.31Å; F316-F321 HydrophobicContact CZ-CZ 4.27Å; M318-F321 HydrophobicContact CE-CB 4.14Å; M318-F321 HydrophobicContact CE-CG 4.5Å; M318-F321 WeakPolarHBondContact O-CB 3.31Å; M318-F321 PolarHBondContact O-N 3.2Å; M318-F321 VanDerWaalsContact O-N 3.15Å; M318-F321 HydrophobicContact SD-CD2 4.39Å; D319-F321 VanDerWaalsContact C-N 3.31Å; D319-F321 PolarHBondContact O-N 2.83Å; F321-I324 PolarHBondContact O-N 3.24Å; F321-L325 HydrophobicContact CD1-CD1 4.44Å; F321-L325 VanDerWaalsContact O-CB 3.26Å; F321-L325 WeakPolarHBondContact O-CB 3.33Å; F321-L325 PolarHBondContact O-N 2.78Å
322V85.7Confident82.4Confident0 Ų056.2 Ų56.20%028%0.283CS..Hα-helixtrans-65.4-42.6179.1-1770000110.3I298 K302 M318 D319 I324 Q326 Y330 W333I298-V322 HydrophobicContact CG2-CG2 4.08Å; K302-V322 HydrophobicContact CD-CG2 4.41Å; K302-V322 VanDerWaalsContact CE-CG2 3.41Å; K302-V322 HydrophobicContact CG-CG2 4.24Å; M318-V322 HydrophobicContact CB-CG2 4.43Å; M318-V322 WeakPolarHBondContact O-CG2 3.29Å; M318-V322 PolarHBondContact O-N 3.25Å; D319-V322 PolarHBondContact O-N 3.44Å; V322-I324 PolarHBondContact O-N 3.24Å; V322-Q326 HydrophobicContact CG1-CB 4.37Å; V322-Q326 CarbonylContact O-C 3.59Å; V322-Q326 VanDerWaalsContact O-CA 3.31Å; V322-Q326 WeakPolarHBondContact O-CA 3.37Å; V322-Q326 PolarHBondContact O-N 3.11Å; V322-Q326 VanDerWaalsContact O-O 3.12Å; V322-Y330 HydrophobicContact CB-CD2 4.21Å; V322-Y330 HydrophobicContact CG1-CD2 4.04Å; V322-W333 HydrophobicContact CB-CD2 4.22Å; V322-W333 HydrophobicContact CB-CE3 3.93Å; V322-W333 HydrophobicContact CB-CZ3 4.23Å; V322-W333 HydrophobicContact CG1-CB 4.16Å; V322-W333 HydrophobicContact CG1-CD2 4.01Å; V322-W333 HydrophobicContact CG1-CE3 3.88Å; V322-W333 HydrophobicContact CG1-CG 4.13Å; V322-W333 HydrophobicContact CG2-CD2 3.94Å; V322-W333 HydrophobicContact CG2-CE3 4.08Å; V322-W333 HydrophobicContact CG2-CG 4.46Å; V322-W333 HydrophobicContact CG2-CH2 4.41Å; V322-W333 HydrophobicContact CG2-CZ2 4.28Å; V322-W333 HydrophobicContact CG2-CZ3 4.32Å
323R83.8Confident83.1Confident126 Ų12657.9 Ų57.948%0.47528%0.284SS..Hα-helixtrans-61.6-40.2178.8-172.4173.861.61014.3113.1D319 A320 Y330D319-R323 WeakPolarHBondContact O-CB 3.47Å; D319-R323 PolarHBondContact O-N 2.77Å; A320-R323 PolarHBondContact O-N 3.04Å; R323-Y330 HydrophobicContact CB-CD2 3.7Å; R323-Y330 HydrophobicContact CB-CE2 3.67Å; R323-Y330 HydrophobicContact CB-CG 4.23Å; R323-Y330 HydrophobicContact CG-CD2 4.35Å; R323-Y330 HydrophobicContact CG-CE1 4.42Å; R323-Y330 HydrophobicContact CG-CE2 4.25Å; R323-Y330 HydrophobicContact CG-CG 4.48Å
324I77.9Confident84Confident30 Ų3054.8 Ų54.815%0.15428%0.275CS..Hα-helixtrans-85.4-36.6-174.2-66.6166.8000112L161 A320 F321 V322 R358L161-I324 HydrophobicContact CD2-CD1 3.92Å; A320-I324 VanDerWaalsContact O-CB 3.29Å; A320-I324 WeakPolarHBondContact O-CB 3.4Å; A320-I324 WeakPolarHBondContact O-CD1 3.5Å; A320-I324 WeakPolarHBondContact O-CG1 3.36Å; A320-I324 PolarHBondContact O-N 2.83Å; F321-I324 PolarHBondContact O-N 3.24Å; V322-I324 PolarHBondContact O-N 3.24Å; I324-R358 PolarHBondContact O-NH1 2.83Å
325L79.3Confident85Confident40 Ų4058.9 Ų58.921%0.20929%0.285CS..Hα-helixtrans-108.3-18.1-168.9-59.3170.2000114.2I157 I298 F321I157-L325 HydrophobicContact CD1-CD1 3.66Å; I157-L325 HydrophobicContact CD1-CD2 4.09Å; I157-L325 HydrophobicContact CG1-CD1 4.22Å; I157-L325 HydrophobicContact CG1-CD2 4.4Å; I157-L325 HydrophobicContact CG2-CD1 3.75Å; I298-L325 HydrophobicContact CD1-CB 4.32Å; I298-L325 HydrophobicContact CD1-CD1 3.46Å; I298-L325 VanDerWaalsContact CD1-CD1 3.46Å; I298-L325 HydrophobicContact CD1-CG 4.5Å; I298-L325 HydrophobicContact CG1-CB 4.36Å; I298-L325 HydrophobicContact CG1-CD1 4.08Å; F321-L325 HydrophobicContact CD1-CD1 4.44Å; F321-L325 VanDerWaalsContact O-CB 3.26Å; F321-L325 WeakPolarHBondContact O-CB 3.33Å; F321-L325 PolarHBondContact O-N 2.78Å
326Q85.7Confident85.8Confident20 Ų2058.8 Ų58.89%0.09329%0.294CS..  trans-138.554.2175.6-64.5-179-2700110.5I298 D299 K302 V322 E328 R329 Y330I298-Q326 HydrophobicContact CG2-CG 4.25Å; D299-Q326 PolarHBondContact OD2-NE2 3.38Å; K302-Q326 VanDerWaalsContact CE-OE1 3.3Å; V322-Q326 HydrophobicContact CG1-CB 4.37Å; V322-Q326 CarbonylContact O-C 3.59Å; V322-Q326 VanDerWaalsContact O-CA 3.31Å; V322-Q326 WeakPolarHBondContact O-CA 3.37Å; V322-Q326 PolarHBondContact O-N 3.11Å; V322-Q326 VanDerWaalsContact O-O 3.12Å; Q326-E328 VanDerWaalsContact C-OE2 3.23Å; Q326-E328 WeakPolarHBondContact CA-OE2 3.5Å; Q326-E328 PolarHBondContact O-N 3.34Å; Q326-E328 VanDerWaalsContact O-N 3.16Å; Q326-R329 HydrophobicContact CB-CB 4.37Å; Q326-R329 PolarHBondContact O-N 3.22Å; Q326-Y330 PolarHBondContact O-N 3.48Å; Q326-Y330 VanDerWaalsContact O-N 3.1Å
327P87.1Confident86.4Confident77 Ų7763.5 Ų63.550%0.532%0.316SS..Hα-helixtrans-57.4-31.7-174.325-35.3000113R329 Y330P327-R329 VanDerWaalsContact C-N 3.3Å; P327-R329 PolarHBondContact O-N 3.16Å; P327-Y330 WeakPolarHBondContact O-CB 3.44Å; P327-Y330 PolarHBondContact O-N 2.96Å
328E90.4Very high86.6Confident129 Ų12961.5 Ų61.560%0.60330%0.299SS*.Hα-helixtrans-67.5-27.417874.5-60.7150.200113.3Q326Q326-E328 VanDerWaalsContact C-OE2 3.23Å; Q326-E328 WeakPolarHBondContact CA-OE2 3.5Å; Q326-E328 PolarHBondContact O-N 3.34Å; Q326-E328 VanDerWaalsContact O-N 3.16Å
329R89.6Confident86.2Confident52 Ų5269.2 Ų69.220%0.19634%0.335CS..Hα-helixtrans-98.1-10.6177.4-68.8171.263.8-161.9-10.4113D299 Q326 P327 E331 L332 W333 D338D299-R329 IonicContact OD1-CZ 3.2Å; D299-R329 IonicContact OD1-NH1 2.63Å; D299-R329 PolarHBondContact OD1-NH1 2.67Å; D299-R329 VanDerWaalsContact OD1-NH1 3.14Å; D299-R329 IonicContact OD1-NH2 2.76Å; D299-R329 PolarHBondContact OD1-NH2 2.96Å; D299-R329 IonicContact OD2-CZ 2.91Å; D299-R329 IonicContact OD2-NH1 3.73Å; D299-R329 PolarHBondContact OD2-NH1 2.83Å; D299-R329 IonicContact OD2-NH2 3.18Å; Q326-R329 HydrophobicContact CB-CB 4.37Å; Q326-R329 PolarHBondContact O-N 3.22Å; P327-R329 VanDerWaalsContact C-N 3.3Å; P327-R329 PolarHBondContact O-N 3.16Å; R329-E331 PolarHBondContact O-N 3.33Å; R329-L332 PolarHBondContact O-N 2.82Å; R329-W333 WeakPolarHBondContact O-CB 3.18Å; R329-W333 PolarHBondContact O-N 3.39Å; R329-D338 IonicContact CZ-OD1 2.74Å; R329-D338 IonicContact CZ-OD2 3.41Å; R329-D338 IonicContact NE-OD1 3.51Å; R329-D338 PolarHBondContact NE-OD1 3.37Å; R329-D338 IonicContact NE-OD2 3.18Å; R329-D338 PolarHBondContact NE-OD2 3.24Å; R329-D338 IonicContact NH2-OD1 3.7Å; R329-D338 PolarHBondContact NH2-OD1 2.85Å; R329-D338 IonicContact NH2-OD2 3.51Å; R329-D338 PolarHBondContact NH2-OD2 3.16Å
330Y90.3Very high85.4Confident38 Ų3869.1 Ų69.115%0.14934%0.34CS..Hα-helixtrans-55.7-50.1-173178.6-108.2000113.3D319 V322 R323 Q326 P327 L332 W333 K334D319-Y330 PolarHBondContact OD1-OH 3.03Å; D319-Y330 PolarHBondContact OD2-OH 3.49Å; V322-Y330 HydrophobicContact CB-CD2 4.21Å; V322-Y330 HydrophobicContact CG1-CD2 4.04Å; R323-Y330 HydrophobicContact CB-CD2 3.7Å; R323-Y330 HydrophobicContact CB-CE2 3.67Å; R323-Y330 HydrophobicContact CB-CG 4.23Å; R323-Y330 HydrophobicContact CG-CD2 4.35Å; R323-Y330 HydrophobicContact CG-CE1 4.42Å; R323-Y330 HydrophobicContact CG-CE2 4.25Å; R323-Y330 HydrophobicContact CG-CG 4.48Å; Q326-Y330 PolarHBondContact O-N 3.48Å; Q326-Y330 VanDerWaalsContact O-N 3.1Å; P327-Y330 WeakPolarHBondContact O-CB 3.44Å; P327-Y330 PolarHBondContact O-N 2.96Å; Y330-L332 VanDerWaalsContact C-N 3.34Å; Y330-L332 PolarHBondContact O-N 2.82Å; Y330-W333 HydrophobicContact CD2-CE3 4.13Å; Y330-W333 HydrophobicContact CD2-CZ3 4.41Å; Y330-W333 HydrophobicContact CE2-CE3 4.25Å; Y330-W333 HydrophobicContact CE2-CZ3 4.12Å; Y330-W333 PolarHBondContact O-N 3.4Å; Y330-K334 HydrophobicContact CD1-CG 4.37Å; Y330-K334 HydrophobicContact CD2-CG 4.22Å; Y330-K334 HydrophobicContact CE1-CG 4Å; Y330-K334 HydrophobicContact CE2-CD 3.87Å; Y330-K334 HydrophobicContact CE2-CG 3.83Å; Y330-K334 HydrophobicContact CG-CG 4.48Å; Y330-K334 VanDerWaalsContact O-CG 3.31Å; Y330-K334 WeakPolarHBondContact O-CG 3.2Å; Y330-K334 PolarHBondContact O-N 3.07Å
331E92.3Very high85.2Confident109 Ų10975 Ų7551%0.50937%0.374SS..Hα-helixtrans-64.8-36.7-179.3-72.6-57.414200113R329 R335R329-E331 PolarHBondContact O-N 3.33Å; E331-R335 WeakPolarHBondContact O-CG 3.43Å; E331-R335 VanDerWaalsContact O-CZ 3.3Å; E331-R335 PolarHBondContact O-N 2.84Å; E331-R335 PolarHBondContact O-NH1 2.91Å; E331-R335 IonicContact OE2-NH1 3.38Å
332L91.4Very high85.5Confident74 Ų7475.7 Ų75.739%0.38738%0.379SS..Hα-helixtrans-68.4-41.8175.1-71.7165.6000111.2R329 Y330 R335 G336 Q337 D338R329-L332 PolarHBondContact O-N 2.82Å; Y330-L332 VanDerWaalsContact C-N 3.34Å; Y330-L332 PolarHBondContact O-N 2.82Å; L332-R335 PolarHBondContact O-N 3.29Å; L332-G336 PolarHBondContact O-N 2.68Å; L332-Q337 HydrophobicContact CD2-CB 4.28Å; L332-Q337 PolarHBondContact O-N 3.14Å; L332-D338 HydrophobicContact CB-CB 4.47Å; L332-D338 PolarHBondContact O-N 3.4Å
333W90.6Very high85.5Confident60 Ų6079.1 Ų79.123%0.22740%0.397CS..Hα-helixtrans-64.1-43.7176.917573.2000112M318 D319 V322 R329 Y330 R335 G336 D338M318-W333 HydrophobicContact CB-CH2 4.1Å; M318-W333 HydrophobicContact CB-CZ2 3.82Å; D319-W333 HydrophobicContact CB-CH2 4.14Å; D319-W333 HydrophobicContact CB-CZ3 4.15Å; V322-W333 HydrophobicContact CB-CD2 4.22Å; V322-W333 HydrophobicContact CB-CE3 3.93Å; V322-W333 HydrophobicContact CB-CZ3 4.23Å; V322-W333 HydrophobicContact CG1-CB 4.16Å; V322-W333 HydrophobicContact CG1-CD2 4.01Å; V322-W333 HydrophobicContact CG1-CE3 3.88Å; V322-W333 HydrophobicContact CG1-CG 4.13Å; V322-W333 HydrophobicContact CG2-CD2 3.94Å; V322-W333 HydrophobicContact CG2-CE3 4.08Å; V322-W333 HydrophobicContact CG2-CG 4.46Å; V322-W333 HydrophobicContact CG2-CH2 4.41Å; V322-W333 HydrophobicContact CG2-CZ2 4.28Å; V322-W333 HydrophobicContact CG2-CZ3 4.32Å; R329-W333 WeakPolarHBondContact O-CB 3.18Å; R329-W333 PolarHBondContact O-N 3.39Å; Y330-W333 HydrophobicContact CD2-CE3 4.13Å; Y330-W333 HydrophobicContact CD2-CZ3 4.41Å; Y330-W333 HydrophobicContact CE2-CE3 4.25Å; Y330-W333 HydrophobicContact CE2-CZ3 4.12Å; Y330-W333 PolarHBondContact O-N 3.4Å; W333-R335 PolarHBondContact O-N 2.97Å; W333-G336 PolarHBondContact O-N 3.06Å; W333-D338 HydrophobicContact CB-CB 3.82Å
334K90.1Very high85.7Confident112 Ų11275 Ų7549%0.48738%0.383SS..Hα-helixtrans-60.3-30.4175.4-70.7-68.9-71.4-165.10113D319 Y330 G336D319-K334 WeakPolarHBondContact OD1-CD 3.41Å; D319-K334 IonicContact OD1-NZ 3.46Å; D319-K334 PolarHBondContact OD1-NZ 2.79Å; Y330-K334 HydrophobicContact CD1-CG 4.37Å; Y330-K334 HydrophobicContact CD2-CG 4.22Å; Y330-K334 HydrophobicContact CE1-CG 4Å; Y330-K334 HydrophobicContact CE2-CD 3.87Å; Y330-K334 HydrophobicContact CE2-CG 3.83Å; Y330-K334 HydrophobicContact CG-CG 4.48Å; Y330-K334 VanDerWaalsContact O-CG 3.31Å; Y330-K334 WeakPolarHBondContact O-CG 3.2Å; Y330-K334 PolarHBondContact O-N 3.07Å; K334-G336 VanDerWaalsContact C-N 3.33Å
335R91.9Very high85.9Confident138 Ų13876.5 Ų76.552%0.52139%0.394SS..THydrogen-bonded Turntrans-84.1-1173.9-69.1-170-63.4-87.52.9114.2E331 L332 W333 Q337E331-R335 WeakPolarHBondContact O-CG 3.43Å; E331-R335 VanDerWaalsContact O-CZ 3.3Å; E331-R335 PolarHBondContact O-N 2.84Å; E331-R335 PolarHBondContact O-NH1 2.91Å; E331-R335 IonicContact OE2-NH1 3.38Å; L332-R335 PolarHBondContact O-N 3.29Å; W333-R335 PolarHBondContact O-N 2.97Å; R335-Q337 VanDerWaalsContact C-N 3.25Å; R335-Q337 HydrophobicContact CB-CG 4.08Å; R335-Q337 PolarHBondContact O-N 3.35Å
336G87.3Confident86Confident61 Ų6180.4 Ų80.463%0.62941%0.411SS*.THydrogen-bonded Turntrans70.319.1-176.300000114.1L332 W333 K334L332-G336 PolarHBondContact O-N 2.68Å; W333-G336 PolarHBondContact O-N 3.06Å; K334-G336 VanDerWaalsContact C-N 3.33Å
337Q88.5Confident85.4Confident117 Ų11782.4 Ų82.455%0.54743%0.425SS..  trans-98.5-7-177-65.5176.4-35.600112.9L332 R335 Q339L332-Q337 HydrophobicContact CD2-CB 4.28Å; L332-Q337 PolarHBondContact O-N 3.14Å; R335-Q337 VanDerWaalsContact C-N 3.25Å; R335-Q337 HydrophobicContact CB-CG 4.08Å; R335-Q337 PolarHBondContact O-N 3.35Å; Q337-Q339 PolarHBondContact O-N 2.89Å
338D85.2Confident84.1Confident36 Ų3680.8 Ų80.819%0.19341%0.411CS..  trans-82.786.3176.3-174.321000110.7K302 R329 L332 W333 A340K302-D338 IonicContact NZ-OD2 3.95Å; K302-D338 PolarHBondContact NZ-OD2 3.47Å; R329-D338 IonicContact CZ-OD1 2.74Å; R329-D338 IonicContact CZ-OD2 3.41Å; R329-D338 IonicContact NE-OD1 3.51Å; R329-D338 PolarHBondContact NE-OD1 3.37Å; R329-D338 IonicContact NE-OD2 3.18Å; R329-D338 PolarHBondContact NE-OD2 3.24Å; R329-D338 IonicContact NH2-OD1 3.7Å; R329-D338 PolarHBondContact NH2-OD1 2.85Å; R329-D338 IonicContact NH2-OD2 3.51Å; R329-D338 PolarHBondContact NH2-OD2 3.16Å; L332-D338 HydrophobicContact CB-CB 4.47Å; L332-D338 PolarHBondContact O-N 3.4Å; W333-D338 HydrophobicContact CB-CB 3.82Å; D338-A340 VanDerWaalsContact C-N 3.29Å; D338-A340 PolarHBondContact O-N 3.03Å
339Q75.6Confident82.3Confident174 Ų17480.4 Ų80.481%0.81342%0.418SS*.  trans-90.239.6-179.3-62.4-172.32.600113Q337 V341Q337-Q339 PolarHBondContact O-N 2.89Å; Q339-V341 PolarHBondContact O-N 3.36Å; Q339-V341 VanDerWaalsContact O-N 3.15Å
340A68.8Low79.9Confident35 Ų3582.5 Ų82.529%0.28944%0.44SS..  trans-59.1125179.800000111.5D338D338-A340 VanDerWaalsContact C-N 3.29Å; D338-A340 PolarHBondContact O-N 3.03Å
341V77.6Confident77.4Confident134 Ų13484.3 Ų84.381%0.81246%0.455SS*.  trans-88122.8172.7-179.60000106.9Q339 D343Q339-V341 PolarHBondContact O-N 3.36Å; Q339-V341 VanDerWaalsContact O-N 3.15Å; V341-D343 PolarHBondContact O-N 3.43Å
342V86.3Confident74.8Confident28 Ų2883 Ų8317%0.1746%0.458CS..  trans-67.7113.9177.2176.20000109.3D299 Y300 V303D299-V342 HydrophobicContact CB-CG2 4.29Å; Y300-V342 HydrophobicContact CD1-CG1 3.83Å; Y300-V342 HydrophobicContact CD2-CG1 3.85Å; Y300-V342 HydrophobicContact CE1-CG1 3.48Å; Y300-V342 VanDerWaalsContact CE1-CG1 3.48Å; Y300-V342 HydrophobicContact CE2-CG1 3.46Å; Y300-V342 VanDerWaalsContact CE2-CG1 3.46Å; Y300-V342 HydrophobicContact CG-CG1 4.03Å; Y300-V342 HydrophobicContact CG-CG2 4.49Å; V303-V342 HydrophobicContact CG2-CG2 3.86Å
343D86.3Confident72.1Confident71 Ų7187.5 Ų87.538%0.3848%0.477SS..  trans-88.7115.3167.3-171.7-20000109.5V341 T345 E346V341-D343 PolarHBondContact O-N 3.43Å; D343-T345 PolarHBondContact O-N 3.44Å; D343-T345 WeakPolarHBondContact OD1-CB 3.5Å; D343-T345 PolarHBondContact OD1-N 3.32Å; D343-T345 PolarHBondContact OD1-OG1 3.08Å; D343-T345 PolarHBondContact OD2-OG1 3.18Å; D343-E346 HydrophobicContact CB-CB 4.34Å; D343-E346 HydrophobicContact CB-CG 3.81Å
344H88.8Confident69.6Low39 Ų3991.6 Ų91.618%0.18150%0.499CS..THydrogen-bonded Turntrans-73.8-9.6-179-60.1-50.3000114H41 P214 E215 Y274 Y300H41-H344 PolarHBondContact CD2-O 3.3Å; P214-H344 HydrophobicContact CB-CB 4.33Å; E215-H344 HydrophobicContact CB-CB 4.09Å; Y274-H344 AromaticContact CD1-CE1 3.76Å; Y300-H344 AromaticContact CE1-CE1 3.78Å; Y300-H344 AromaticContact CE1-ND1 3.54Å; Y300-H344 AromaticContact CZ-ND1 3.65Å; Y300-H344 PolarHBondContact OH-ND1 3.06Å; Y300-H344 VanDerWaalsContact OH-ND1 3.14Å
345T81.9Confident67.2Low62 Ų6290.3 Ų90.338%0.3850%0.497SS..THydrogen-bonded Turntrans-97.2-14.6-179.972.20000113.3D343 T347D343-T345 PolarHBondContact O-N 3.44Å; D343-T345 WeakPolarHBondContact OD1-CB 3.5Å; D343-T345 PolarHBondContact OD1-N 3.32Å; D343-T345 PolarHBondContact OD1-OG1 3.08Å; D343-T345 PolarHBondContact OD2-OG1 3.18Å; T345-T347 PolarHBondContact O-N 2.96Å
346E79.6Confident64.6Low123 Ų12387.6 Ų87.658%0.57550%0.496SS*.PPolyproline II helixtrans-68.2126.8178.7-80-174.2168.500111.3R296 D343R296-E346 WeakPolarHBondContact CD-O 3.3Å; D343-E346 HydrophobicContact CB-CB 4.34Å; D343-E346 HydrophobicContact CB-CG 3.81Å
347T73.1Confident61.9Low62 Ų6289.6 Ų89.638%0.3850%0.496SS..PPolyproline II helixtrans-81.8156.8169.5580000110.3E36 T345 V349E36-T347 WeakPolarHBondContact O-CG2 3.38Å; T345-T347 PolarHBondContact O-N 2.96Å; T347-V349 PolarHBondContact O-N 3.06Å
348M61.7Low59.4Low42 Ų4292.5 Ų92.521%0.20750%0.502CS..PPolyproline II helixtrans-49.5117.8160.2-99.5-168.5150.800111.6A33 E36 P295 R296 S350A33-M348 HydrophobicContact CB-SD 3.95Å; E36-M348 WeakPolarHBondContact OE2-CG 3.28Å; P295-M348 HydrophobicContact CB-CE 3.82Å; P295-M348 HydrophobicContact CG-CE 3.57Å; R296-M348 HydrophobicContact CB-CG 4.1Å; M348-S350 PolarHBondContact O-N 2.74Å
349V52.1Low57.3Low122 Ų12297.2 Ų97.274%0.73952%0.517SS*.PPolyproline II helixtrans-66.4126.7165.6-1770000106.8T347 T351T347-V349 PolarHBondContact O-N 3.06Å; V349-T351 PolarHBondContact O-N 3.43Å
350S39.3Very low55.3Low95 Ų9594.7 Ų94.766%0.66451%0.513SS*.  trans-66.381.3175.6-178.60000110.4M348 S352M348-S350 PolarHBondContact O-N 2.74Å; S350-S352 PolarHBondContact O-N 2.71Å; S350-S352 VanDerWaalsContact O-N 3.17Å; S350-S352 PolarHBondContact OG-OG 2.73Å
351T37.2Very low53.4Low77 Ų7798.9 Ų98.947%0.47254%0.535SS..  trans-81.554.3155.932.90000108.7V349 Q353 E354V349-T351 PolarHBondContact O-N 3.43Å; T351-Q353 PolarHBondContact O-N 2.93Å; T351-E354 PolarHBondContact O-N 2.99Å
352S37.7Very low51.4Low81 Ų8199.4 Ų99.457%0.56653%0.527SS*.THydrogen-bonded Turntrans-58.4-9.3173.9-90.20000113.8S350 T356S350-S352 PolarHBondContact O-N 2.71Å; S350-S352 VanDerWaalsContact O-N 3.17Å; S350-S352 PolarHBondContact OG-OG 2.73Å; S352-T356 PolarHBondContact O-OG1 3.47Å
353Q34.2Very low48.5Very low168 Ų168102.3 Ų102.379%0.78555%0.553SS**THydrogen-bonded Turntrans-93-20.9-179.5-75.5-177.5-30.200114.8T351 T357T351-Q353 PolarHBondContact O-N 2.93Å; Q353-T357 PolarHBondContact O-OG1 3.49Å
354E38.4Very low45.8Very low147 Ų147105.2 Ų105.269%0.68758%0.576SS**Hα-helixtrans-96.9-38.6-175.6-76.7-173.9153.400113.9T351 T356 T357T351-E354 PolarHBondContact O-N 2.99Å; E354-T356 PolarHBondContact O-N 3.37Å; E354-T357 PolarHBondContact O-N 3.14Å
355L40.2Very low43.3Very low85 Ų85115.2 Ų115.245%0.44561%0.612SS.*Hα-helixtrans-70.3-34.1-179.2-73.3159.2000112.5P295 T357P295-L355 HydrophobicContact CG-CD1 4.21Å; L355-T357 VanDerWaalsContact C-N 3.34Å
356T37.8Very low40.7Very low81 Ų81121.7 Ų121.750%0.49764%0.635SS.*Hα-helixtrans-69.3-34.3179.5-31.10000111.6S352 E354 R358 R359S352-T356 PolarHBondContact O-OG1 3.47Å; E354-T356 PolarHBondContact O-N 3.37Å; T356-R358 VanDerWaalsContact C-N 3.33Å; T356-R358 PolarHBondContact O-N 2.93Å; T356-R359 PolarHBondContact O-N 3.43Å; T356-R359 VanDerWaalsContact O-N 3.14Å
357T29.4Very low38.1Very low103 Ų103122.6 Ų122.663%0.63265%0.649SS**Hα-helixtrans-70.7-27.8-176.5-480000112.3Q353 E354 L355Q353-T357 PolarHBondContact O-OG1 3.49Å; E354-T357 PolarHBondContact O-N 3.14Å; L355-T357 VanDerWaalsContact C-N 3.34Å
358R35.3Very low35.9Very low177 Ų177131.8 Ų131.867%0.66868%0.677SS**Hα-helixtrans-77.2-17.5172.5-80.1-176.4174.8167.91114.1I324 T356I324-R358 PolarHBondContact O-NH1 2.83Å; T356-R358 VanDerWaalsContact C-N 3.33Å; T356-R358 PolarHBondContact O-N 2.93Å
359R42.3Very low34.1Very low135 Ų135132.7 Ų132.751%0.50970%0.697SS.*Hα-helixtrans-80.9-23.9-179.4-76-175.6177.3177.9-1.6114.1D29 T356 T361D29-R359 IonicContact OD2-CZ 2.8Å; D29-R359 IonicContact OD2-NH2 3.84Å; D29-R359 PolarHBondContact OD2-NH2 3.31Å; T356-R359 PolarHBondContact O-N 3.43Å; T356-R359 VanDerWaalsContact O-N 3.14Å; R359-T361 PolarHBondContact O-N 3.23Å
360V34Very low33.1Very low122 Ų122135.8 Ų135.874%0.73971%0.709SS**THydrogen-bonded Turntrans-72.2-11.8-169.5179.60000113.7
361T28.5Very low32.6Very low123 Ų123140.8 Ų140.876%0.75572%0.719SS**THydrogen-bonded Turntrans-10437.9-175.251.40000115.7R359R359-T361 PolarHBondContact O-N 3.23Å
362K35.8Very low32.1Very low145 Ų145148.6 Ų148.663%0.6374%0.739SS**  trans-121.2120.5170.3-77.3-175.7179.9171.70113
363A25.6Very low31.6Very low88 Ų88153.2 Ų153.273%0.72776%0.757SS**PPolyproline II helixtrans-72.2154.3171.100000111.9
364P28.7Very low31.2Very low133 Ų133156.4 Ų156.486%0.86476%0.762SS**PPolyproline II helixtrans-72.1131.6-175.727.8-31.8000111.9
365R36.4Very low30.8Very low248 Ų248157.8 Ų157.894%0.93677%0.773SS**PPolyproline II helixtrans-86.6141.5174.4-84.1-174.3167.7-174-2.1112
366K27.6Very low30.1Very low198 Ų198164.9 Ų164.986%0.86179%0.794SS**PPolyproline II helixtrans-67.3134175.3-71.1177176.4176.40111.5W368K366-W368 PolarHBondContact O-N 3.34Å
367T24.3Very low29.6Very low142 Ų142170.5 Ų170.587%0.87182%0.815SS**PPolyproline II helixtrans-63122.4170.9220000111.4
368W26.3Very low29.5Very low255 Ų255171.5 Ų171.597%0.96682%0.82SS**  trans-91.7104.2163.2-88.2-4000109.5K366K366-W368 PolarHBondContact O-N 3.34Å
369G24.9Very low29.1Very low61 Ų61168.6 Ų168.663%0.62983%0.827SS**  trans-63.7147.2169.300000111.6K371G369-K371 PolarHBondContact O-N 2.9Å
370L32Very low28.6Very low188 Ų188173.1 Ų173.198%0.98484%0.844SS**  trans-42.6104.1173.8-78.1127.1000111.8
371K27.5Very low28.2Very low199 Ų199173 Ų17387%0.86585%0.849SS**  trans-100.7120.7163.3-75.6-174.3179.2-179.60108.6G369 L373G369-K371 PolarHBondContact O-N 2.9Å; K371-L373 PolarHBondContact O-N 3.33Å
372R27.3Very low28.3Very low241 Ų241174.8 Ų174.891%0.90985%0.853SS**  trans-26.4121171.2-82.4174.7176.2-138.5-1.1113R374R372-R374 PolarHBondContact O-N 2.91Å; R372-R374 VanDerWaalsContact O-N 3.09Å
373L27.4Very low27.8Very low179 Ų179175.9 Ų175.994%0.93786%0.864SS**  trans-59.6110.7161.5-85.8105.2000109.1K371K371-L373 PolarHBondContact O-N 3.33Å
374R25.8Very low28Very low235 Ų235177.6 Ų177.689%0.88787%0.868SS**  trans-84.9118.5156.6-92.4-173.7173.7-176.9-1.5107.4R372 R376R372-R374 PolarHBondContact O-N 2.91Å; R372-R374 VanDerWaalsContact O-N 3.09Å; R374-R376 PolarHBondContact O-N 3.37Å; R374-R376 VanDerWaalsContact O-N 3.16Å
375L28.8Very low28Very low176 Ų176179.1 Ų179.192%0.92187%0.867SS**  trans-53.1114.5167-79.5146.7000109.3
376R25.5Very low27.5Very low233 Ų233171.9 Ų171.988%0.87986%0.861SS**  trans-99.9113.9158.5-88.6-173.1170.2-163.5-2.7107.4R374 V378R374-R376 PolarHBondContact O-N 3.37Å; R374-R376 VanDerWaalsContact O-N 3.16Å; R376-V378 PolarHBondContact O-N 3Å
377Q27.7Very low27.4Very low200 Ų200168.4 Ų168.494%0.93586%0.856SS**  trans-59.2124.1164.1-80.2170-55.700108.5
378V27.8Very low27.6Very low124 Ų124168.7 Ų168.775%0.75286%0.857SS**  trans-119.7119.4162.8-179.40000106.4R376 R380R376-V378 PolarHBondContact O-N 3Å; V378-R380 PolarHBondContact O-N 3.37Å
379S27.1Very low27.6Very low115 Ų115160.9 Ų160.980%0.80484%0.842SS**PPolyproline II helixtrans-58.6120.1172.941.60000109.8
380R30.5Very low27.7Very low231 Ų231166.1 Ų166.187%0.87286%0.855SS**PPolyproline II helixtrans-89.2116.5168.2-86.5-176.5173.1-168.7-2.7109.1V378V378-R380 PolarHBondContact O-N 3.37Å
381S27.2Very low27.4Very low120 Ų120163.5 Ų163.584%0.83985%0.847SS**PPolyproline II helixtrans-68.3123.315341.70000108.3
382L29.7Very low27.4Very low160 Ų160159.6 Ų159.684%0.83884%0.842SS**PPolyproline II helixtrans-87.4130.5176.5-72.3159.2000108.9
383L26.3Very low27.2Very low167 Ų167154.7 Ų154.787%0.87484%0.843SS**  trans-117.8130.6155.2-80.3161.9000107.7
384P28.5Very low27Very low124 Ų124153.9 Ų153.981%0.80584%0.84SS**PPolyproline II helixtrans-81.6136.4-169.129.5-31.8000112.8
385I30.1Very low27Very low165 Ų165151 Ų15185%0.84684%0.838SS**PPolyproline II helixtrans-90.4130164-65.5173.6000107.7T387I385-T387 PolarHBondContact O-N 3.35Å
386A25.9Very low26.8Very low97 Ų97151.8 Ų151.880%0.80284%0.837SS**PPolyproline II helixtrans-59.4127.7-171.200000113.7
387T25.4Very low26.9Very low124 Ų124146.1 Ų146.176%0.76183%0.828SS**PPolyproline II helixtrans-82.2125.416845.30000110.1I385 S389I385-T387 PolarHBondContact O-N 3.35Å; T387-S389 PolarHBondContact O-N 3.37Å
388V28.3Very low26.7Very low148 Ų148142.6 Ų142.690%0.89782%0.824SS**  trans-83.9109.1166.7-179.60000107.9
389S26.2Very low26.5Very low92 Ų92145 Ų14564%0.64383%0.827SS**  trans-86.3137.1174-540000110.5T387T387-S389 PolarHBondContact O-N 3.37Å
390N25.7Very low26.4Very low171 Ų171146 Ų14691%0.91483%0.829SS**  trans-53.6132.3171.5-73-34.8000112
391V27.3Very low26.1Very low133 Ų133139.8 Ų139.881%0.80682%0.82SS**  trans-129.8139160.1-179.10000108.4
392P26Very low26Very low117 Ų117145.2 Ų145.276%0.7682%0.822SS**  trans-76.1146.1-170.6-6.524.5000112.5N394P392-N394 PolarHBondContact O-N 3.16Å
393C23.1Very low25.9Very low137 Ų137146.7 Ų146.793%0.92683%0.825SS**  trans-61119.9166.9-95.30000110.6
394N24.6Very low26Very low163 Ų163144.7 Ų144.787%0.87282%0.822SS**  trans-122115.9156.6-135.88.5000107.7P392 Q396P392-N394 PolarHBondContact O-N 3.16Å; N394-Q396 PolarHBondContact O-N 3.09Å
395M25.8Very low25.8Very low173 Ų173143.8 Ų143.885%0.85282%0.819SS**  trans-66.4125175.1-93.4174.16000109.5
396Q25.1Very low25.7Very low194 Ų194143.4 Ų143.491%0.90782%0.818SS**  trans-143.9130.9153.4-113.3166-5.900110.7N394N394-Q396 PolarHBondContact O-N 3.09Å
397V27.1Very low25.8Very low113 Ų113145.8 Ų145.869%0.68582%0.823SS**  trans-77.7128.7-171.2172.80000109.6
398C21.9Very low25.8Very low126 Ų126149.9 Ų149.985%0.85183%0.83SS**  trans-84.3114.4168.3-74.10000109.9
399H25.6Very low25.7Very low176 Ų176146.4 Ų146.482%0.81582%0.824SS**  trans-109.8127.6152.2-91.7-69.9000109.2
400T23.7Very low25.7Very low136 Ų136149.7 Ų149.783%0.83483%0.834SS**  trans-73.3140.8173.839.10000111
401S24.2Very low25.9Very low100 Ų100148.4 Ų148.470%0.69983%0.827SS**  trans147.4120.1131.4-179.90000113.5
402R25.5Very low25.9Very low233 Ų233148 Ų14888%0.87982%0.824SS**  trans55129.8139.4-64.1177.5174.3-177.2-2120.3
403Q27Very low26Very low192 Ų192151.4 Ų151.490%0.89783%0.83SS**  trans-48.7157.1167-67.3-174-36.100113.7
404P28Very low26.2Very low125 Ų125154.5 Ų154.581%0.81283%0.828SS**  -138.7155.8119.232.7-16.9000114.8
405S26Very low26.4Very low105 Ų105152.6 Ų152.673%0.73483%0.827SS**  trans-74.1147.3169.442.90000113.2
406D26.6Very low26.4Very low156 Ų156151.4 Ų151.483%0.83483%0.825SS**  trans19.4124.6154.3-66.2-35.5000120.2
407V28.6Very low26.6Very low148 Ų148147.8 Ų147.890%0.89782%0.82SS**  -165.8140.2125165.70000110.1
408K25.9Very low26.6Very low210 Ų210146.8 Ų146.891%0.91382%0.824SS**  trans-50.9156.5173.3-71.4168.8165.3176.80115.8
409G26.1Very low26.9Very low74 Ų74152.7 Ų152.776%0.76383%0.829SS**  trans160.1125.8152.400000114.1
410D27Very low27Very low161 Ų161149 Ų14986%0.86183%0.829SS**  trans-72.8174.5-171.6-63.8-63000116.4
411D28.1Very low27.4Very low145 Ų145148.3 Ų148.378%0.77583%0.829SS**  trans91.399.3150.2-80.2-29.2000122.5
412V28.3Very low28Very low123 Ų123149.7 Ų149.775%0.74584%0.836SS**  32.2115.7113.9-169.40000118.1
413Q28.6Very low28.3Very low190 Ų190147.5 Ų147.589%0.88884%0.836SS**  -177.4136.1115.5-100.9179.2-14.500112.9
414K26.7Very low28.9Very low202 Ų202143.9 Ų143.988%0.87883%0.828SS**  trans-72.5149.2168.2-75.5174.3169.6177.40110.9
415S28Very low28.9Very low122 Ų122146.6 Ų146.685%0.85384%0.835SS**  trans-156.5138137.650.60000112.1
416D26.7Very low29.1Very low149 Ų149147 Ų14780%0.79784%0.839SS**  trans-72.3156.3179-68.8-60.1000113
417S28.4Very low29.2Very low117 Ų117147.8 Ų147.882%0.81884%0.841SS**  146.6133.8113.761.90000116.5
418A28.7Very low29.8Very low93 Ų93146.6 Ų146.677%0.76984%0.837SS**  trans59.1102.513900000123
419R27.6Very low30Very low249 Ų249142 Ų14294%0.9483%0.832SS**  35.9114.5109.4-154.8-180-159.5-1755119.1
420A27.7Very low30.3Very low100 Ų100144.3 Ų144.383%0.82684%0.836SS**  trans-167.4131.4138.400000112.3
421S31.7Very low30.3Very low120 Ų120140.6 Ų140.684%0.83984%0.835SS**  trans-95.1159.7160.7-51.90000109.5
422P37.2Very low30.4Very low129 Ų129142.8 Ų142.884%0.83884%0.841SS**  -143.8172.912630.7-11000116.4
423H31.9Very low30.3Very low188 Ų188145.2 Ų145.287%0.8785%0.846SS**PPolyproline II helixtrans-67.7173.8-163.6-88.7-78.2000119.7
424P38.4Very low30.3Very low115 Ų115140.2 Ų140.275%0.74783%0.832SS**PPolyproline II helixtrans-97164-16738.5-33.1000115.3
425L29.3Very low30.5Very low182 Ų182136.3 Ų136.395%0.95383%0.825SS**PPolyproline II helixtrans-95.3138.6179-79.3160.5000113
426S28.9Very low30.4Very low115 Ų115142.5 Ų142.580%0.80483%0.83SS**PPolyproline II helixtrans-99.6155.5179.341.70000112.7
427L30.4Very low30.6Very low171 Ų171146.7 Ų146.790%0.89583%0.834SS**  trans-115.7153.5172.1-84.1158.7000110.6
428P40.9Very low30.6Very low124 Ų124146.9 Ų146.981%0.80583%0.834SS**  trans-103.3175.4-166.132.7-19.1000116.1
429S29.7Very low30.5Very low114 Ų114148.4 Ų148.480%0.79784%0.839SS**  trans-70.5159.8-158.251.10000120.3
430S31.7Very low30.8Very low121 Ų121145.4 Ų145.485%0.84684%0.841SS**  trans-57149.1163.850.70000116.9
431G26.7Very low30.7Very low83 Ų83143.8 Ų143.886%0.85683%0.834SS**  trans-128140.9164.900000112.1
432H30.2Very low30.6Very low192 Ų192150.1 Ų150.189%0.88984%0.839SS**  trans-88.2167.3-171.8-113.8-70.8000114.6
433M27.8Very low30.4Very low174 Ų174155.4 Ų155.486%0.85784%0.843SS**  trans113.9145.6155.1-64.6-141.799.100114.6
434S27.8Very low31Very low84 Ų84151.8 Ų151.859%0.58784%0.836SS**  cis-174.5146.6-17.9169.90000106.5
435T30.5Very low30.7Very low120 Ų120152.6 Ų152.674%0.73684%0.842SS**  trans-4.6140.7160.958.40000121.7
436R27.2Very low31Very low253 Ų253152.9 Ų152.996%0.95584%0.839SS**  -179.8154.5117.6-98.8178-173.8-140.22.6114.5
437R29.9Very low31.4Very low237 Ų237156.1 Ų156.189%0.89485%0.846SS**  trans-87161.6-171.4-74.5176.7172.7-174.5-3.1115
438C27.7Very low31.5Very low120 Ų120151.3 Ų151.381%0.81184%0.838SS**  trans48.5129.7142.8-720000122
439S28.2Very low31.4Very low125 Ų125150.3 Ų150.387%0.87484%0.841SS**  -172.6139.711732.30000113
440L32.2Very low31.8Very low186 Ų186157.6 Ų157.697%0.97486%0.862SS**  trans-74.3153.3168.1-83.5137.1000111.1
441G26.2Very low31.8Very low66 Ų66159.5 Ų159.568%0.6886%0.863SS**  trans151.3111.7152.400000114.2
442R30.5Very low32Very low253 Ų253163.5 Ų163.596%0.95586%0.863SS**  trans-174.9110.7143.6-100.5168.7-154.1-138.27.5111.1
443R31.5Very low32.1Very low241 Ų241161.9 Ų161.991%0.90986%0.862SS**  trans-93.6-179.1141.2-78-170-177.8-1691.6107
444P46.3Very low32.4Very low112 Ų112161.2 Ų161.273%0.72786%0.862SS**  cis-135.2175.9-0.534.2-13.6000114.6
445C30.5Very low32.7Very low131 Ų131166 Ų16689%0.88588%0.879SS**  -170.3127.7127.6-970000111.4
446E36Very low32.8Very low188 Ų188169.1 Ų169.188%0.87989%0.889SS**  trans-86.6154.1168.7-65.6175.8141.100110.8
447L37.9Very low33.2Very low183 Ų183163.1 Ų163.196%0.95888%0.884SS**  trans179.5122.8154-94.1159.6000103.9
448G31.3Very low33.5Very low71 Ų71157.4 Ų157.473%0.73288%0.883SS**  cis133.9115.91300000109
449A39Very low33.9Very low103 Ų103160.5 Ų160.585%0.85189%0.889SS**  trans67.6139.3163.500000117.9
450Q37.8Very low34.5Very low267 Ų267163.7 Ų163.7100%1.24889%0.891SS**  cis-133.1017-81.8173.5-6.700111.6

Retrieved 450 of 450 residues in 115.9 ms (Link to these results)

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