A0A077YW03_TRITR Loading...

DNA-directed RNA polymerase II subunit RPB3

AlphaFold DB , UniProt , Accession A0A077YW03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.1Very low43.3Very low244 Ų244162.8 Ų162.8100%1.20284%0.835SS**  0103.50-78167.517000106.4D3M1-D3 PolarHBondContact O-N 3.39Å
2G35.8Very low45.5Very low75 Ų75155.8 Ų155.877%0.77381%0.808SS**  trans-67.5120.5-174.700000109.8S4G2-S4 VanDerWaalsContact C-N 3.25Å; G2-S4 PolarHBondContact O-N 2.92Å
3D37.7Very low48.5Very low157 Ų157156 Ų15684%0.8481%0.81SS**  trans-63.493.4167.5-170.916.4000107.2M1 G5M1-D3 PolarHBondContact O-N 3.39Å; D3-G5 PolarHBondContact O-N 2.7Å
4S35.9Very low51.6Low104 Ų104151.9 Ų151.973%0.72779%0.788SS**  trans-6787.8170.942.40000106.5G2 R6G2-S4 VanDerWaalsContact C-N 3.25Å; G2-S4 PolarHBondContact O-N 2.92Å; S4-R6 PolarHBondContact O-N 3.13Å
5G40.6Very low54.4Low59 Ų59147.9 Ų147.961%0.60876%0.762SS**  trans-43.6106.6177.200000109.6D3 K7D3-G5 PolarHBondContact O-N 2.7Å; G5-K7 VanDerWaalsContact C-N 3.25Å; G5-K7 PolarHBondContact O-N 2.81Å
6R38.5Very low56.9Low241 Ų241144.4 Ų144.491%0.90975%0.745SS**  trans-5597.1169.3-90.1179.6174.9171.9-1.6106.2S4 R8S4-R6 PolarHBondContact O-N 3.13Å; R6-R8 VanDerWaalsContact C-N 3.35Å; R6-R8 PolarHBondContact O-N 3.12Å
7K40.8Very low59.2Low202 Ų202139.1 Ų139.188%0.87872%0.718SS**  trans-54.7105.9166.1-79.1-177.2176.6176.80105.1G5G5-K7 VanDerWaalsContact C-N 3.25Å; G5-K7 PolarHBondContact O-N 2.81Å
8R42.3Very low61.2Low233 Ų233137.1 Ų137.188%0.87971%0.707SS**  trans-49.4128.4174-70.8-175.9-172.9-170.52.4106.3R6 K10R6-R8 VanDerWaalsContact C-N 3.35Å; R6-R8 PolarHBondContact O-N 3.12Å; R8-K10 PolarHBondContact O-N 3.15Å; R8-K10 VanDerWaalsContact O-N 3.1Å
9P49Very low63Low116 Ų116134.6 Ų134.675%0.75370%0.695SS**  trans-52.312617820.2-29.9000107.3Q11P9-Q11 PolarHBondContact O-N 2.92Å
10K56.2Low64.7Low208 Ų208132.2 Ų132.290%0.90468%0.68SS**  trans-53.8110.6178.9-81.5-174.9176-176.90106.4R8R8-K10 PolarHBondContact O-N 3.15Å; R8-K10 VanDerWaalsContact O-N 3.1Å
11Q60.2Low66.1Low152 Ų152130.1 Ų130.171%0.7167%0.67SS**PPolyproline II helixtrans-56.9134.7175.6-75.5-179.1-1400107.4P9 L13P9-Q11 PolarHBondContact O-N 2.92Å; Q11-L13 PolarHBondContact O-N 3.48Å
12P70.2Confident68.7Low79 Ų79121.7 Ų121.751%0.51363%0.629SS.*PPolyproline II helixtrans-54.8135.5176.122.3-30.7000108.5I14 N32P12-I14 PolarHBondContact O-N 2.7Å; P12-N32 HydrophobicContact CB-CB 4.08Å; P12-N32 HydrophobicContact CG-CB 4.03Å
13L84.9Confident71.3Confident158 Ų158121.6 Ų121.683%0.82761%0.611SS**PPolyproline II helixtrans-59.1136.3177.5-75.1155.7000108.6Q11 K15 N32Q11-L13 PolarHBondContact O-N 3.48Å; L13-K15 PolarHBondContact O-N 3.37Å; L13-N32 PolarHBondContact O-ND2 2.98Å
14I90.8Very high73.9Confident98 Ų98119.2 Ų119.250%0.50360%0.595SS.*PPolyproline II helixtrans-59.9126.7172.8-62.9175.2000107.2P12 I30 E31 L37P12-I14 PolarHBondContact O-N 2.7Å; I14-I30 HydrophobicContact CG2-CG2 3.48Å; I14-I30 VanDerWaalsContact CG2-CG2 3.48Å; I14-E31 WeakPolarHBondContact CA-O 3.31Å; I14-L37 HydrophobicContact CD1-CD2 4.19Å
15K93.9Very high76.8Confident92 Ų92116 Ų11640%0.457%0.569SS.*EExtended strand (participates in β ladder)trans-106.8133.4176.6177.4173.9168.3-102.60108.5L13 D17 I30 E31L13-K15 PolarHBondContact O-N 3.37Å; K15-D17 VanDerWaalsContact CE-OD1 3.29Å; K15-D17 WeakPolarHBondContact CE-OD1 3.43Å; K15-D17 IonicContact NZ-OD1 3.42Å; K15-D17 PolarHBondContact NZ-OD1 2.97Å; K15-D17 IonicContact NZ-OD2 2.73Å; K15-D17 PolarHBondContact NZ-OD2 3.32Å; K15-I30 WeakPolarHBondContact O-CA 3.43Å; K15-E31 HydrophobicContact CB-CB 4.17Å; K15-E31 WeakPolarHBondContact CD-OE2 3.49Å; K15-E31 PolarHBondContact N-O 3.48Å; K15-E31 VanDerWaalsContact N-O 3.1Å; K15-E31 IonicContact NZ-OE2 3.03Å; K15-E31 PolarHBondContact NZ-OE2 3.45Å; K15-E31 PolarHBondContact O-N 2.88Å
16L94.5Very high79.5Confident93 Ų93113.5 Ų113.549%0.48754%0.542SS..EExtended strand (participates in β ladder)trans-122.7121.9-179.2-177.3143.2000108.6I18 F28 S29 I30L16-I18 HydrophobicContact CD2-CD1 4.4Å; L16-I18 HydrophobicContact CD2-CG1 3.74Å; L16-F28 HydrophobicContact CD1-CD2 4.28Å; L16-S29 WeakPolarHBondContact CA-O 3.28Å; L16-I30 HydrophobicContact CD1-CG1 4.4Å
17D95.7Very high82.3Confident54 Ų54104 Ų10429%0.28951%0.508SS..EExtended strand (participates in β ladder)trans-117.1118.6177.1-62.8-27.4000108.5K15 F28 S29K15-D17 VanDerWaalsContact CE-OD1 3.29Å; K15-D17 WeakPolarHBondContact CE-OD1 3.43Å; K15-D17 IonicContact NZ-OD1 3.42Å; K15-D17 PolarHBondContact NZ-OD1 2.97Å; K15-D17 IonicContact NZ-OD2 2.73Å; K15-D17 PolarHBondContact NZ-OD2 3.32Å; D17-F28 CarbonylContact O-C 3.52Å; D17-F28 VanDerWaalsContact O-CA 3.29Å; D17-F28 WeakPolarHBondContact O-CA 3.5Å; D17-F28 WeakPolarHBondContact O-CB 3.32Å; D17-S29 PolarHBondContact N-O 2.64Å; D17-S29 PolarHBondContact O-N 2.84Å
18I96.3Very high85Confident102 Ų10294.7 Ų94.752%0.52347%0.467SS..EExtended strand (participates in β ladder)trans-80.9124.5175.9-57.9174.6000108.2L16 I21L16-I18 HydrophobicContact CD2-CD1 4.4Å; L16-I18 HydrophobicContact CD2-CG1 3.74Å; I18-I21 HydrophobicContact CG2-CB 4.15Å; I18-I21 HydrophobicContact CG2-CG2 4.34Å
19L95.2Very high87.6Confident91 Ų9183.7 Ų83.748%0.47643%0.426SS..EExtended strand (participates in β ladder)trans-94.3-41.9180-58.9176.8000111.2K27 Y214L19-K27 HydrophobicContact CB-CB 4.22Å; L19-K27 PolarHBondContact N-O 2.82Å; L19-Y214 HydrophobicContact CD1-CE1 3.83Å
20Q96.1Very high89.8Confident86 Ų8678.6 Ų78.640%0.40239%0.392SS..EExtended strand (participates in β ladder)trans-151.4138.3179.6-174.7-179.3-5.200109.3K27Q20-K27 HydrophobicContact CB-CB 4.07Å; Q20-K27 HydrophobicContact CB-CG 4.44Å; Q20-K27 PolarHBondContact N-O 2.92Å; Q20-K27 PolarHBondContact O-N 2.81Å
21I95.4Very high91.6Very high89 Ų8970.6 Ų70.646%0.45636%0.358SS..EExtended strand (participates in β ladder)trans-138.2126.4174.5-177.4154.6000109.4I18 V26 E249I18-I21 HydrophobicContact CG2-CB 4.15Å; I18-I21 HydrophobicContact CG2-CG2 4.34Å; I21-V26 HydrophobicContact CD1-CG2 4.22Å; I21-V26 HydrophobicContact CG1-CG2 3.94Å; I21-E249 HydrophobicContact CD1-CB 4.32Å; I21-E249 HydrophobicContact CD1-CG 4.34Å
22N93.3Very high93.2Very high67 Ų6766.4 Ų66.436%0.35834%0.341SS..  trans-147.3180165.165.730.8000108.6E24 L25N22-E24 PolarHBondContact O-N 3.04Å; N22-E24 PolarHBondContact OD1-N 3.02Å; N22-L25 PolarHBondContact N-O 3.36Å; N22-L25 WeakPolarHBondContact OD1-CA 3.31Å; N22-L25 WeakPolarHBondContact OD1-CB 3.41Å; N22-L25 PolarHBondContact OD1-N 3.36Å; N22-L25 PolarHBondContact OD1-O 2.79Å; N22-L25 VanDerWaalsContact OD1-O 3.12Å
23D89.5Confident94.3Very high73 Ų7363.3 Ų63.339%0.3932%0.32SS..SBendtrans-64.6-28-176.4-79.9-19000113.2K247 A248D23-K247 IonicContact OD1-NZ 2.83Å; D23-K247 PolarHBondContact OD1-NZ 2.91Å; D23-K247 IonicContact OD2-NZ 2.67Å; D23-K247 PolarHBondContact OD2-NZ 2.83Å; D23-A248 PolarHBondContact O-N 2.97Å
24E92.6Very high94.7Very high106 Ų10663.3 Ų63.350%0.49531%0.309SS..SBendtrans-97.4-25.1-175-61.9-176.3160.900113.4N22 K142 E241 S242N22-E24 PolarHBondContact O-N 3.04Å; N22-E24 PolarHBondContact OD1-N 3.02Å; E24-K142 IonicContact OE1-NZ 2.89Å; E24-K142 PolarHBondContact OE1-NZ 2.82Å; E24-E241 CarbonylContact O-C 3.5Å; E24-E241 VanDerWaalsContact O-CA 3.32Å; E24-E241 WeakPolarHBondContact O-CA 3.32Å; E24-S242 PolarHBondContact O-N 3.38Å
25L96Very high94.9Very high36 Ų3661.5 Ų61.519%0.18830%0.3CS..EExtended strand (participates in β ladder)trans-147.9129.2-168.5179.668.8000111.4N22 K27 V240 E241N22-L25 PolarHBondContact N-O 3.36Å; N22-L25 WeakPolarHBondContact OD1-CA 3.31Å; N22-L25 WeakPolarHBondContact OD1-CB 3.41Å; N22-L25 PolarHBondContact OD1-N 3.36Å; N22-L25 PolarHBondContact OD1-O 2.79Å; N22-L25 VanDerWaalsContact OD1-O 3.12Å; L25-K27 HydrophobicContact CD1-CG 4.3Å; L25-K27 HydrophobicContact CD2-CD 4.46Å; L25-K27 HydrophobicContact CD2-CG 4.11Å; L25-K27 HydrophobicContact CG-CG 4.16Å; L25-V240 WeakPolarHBondContact CA-O 3.41Å; L25-E241 HydrophobicContact CD1-CB 4.04Å
26V97.6Very high94.9Very high8 Ų861 Ų615%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-121.3111.4170.7166.70000108.8I21 F28 G239 V240 A248 E249 V252I21-V26 HydrophobicContact CD1-CG2 4.22Å; I21-V26 HydrophobicContact CG1-CG2 3.94Å; V26-F28 HydrophobicContact CG1-CD1 3.64Å; V26-F28 HydrophobicContact CG1-CE1 4.07Å; V26-G239 CarbonylContact O-C 3.55Å; V26-G239 WeakPolarHBondContact O-CA 3.32Å; V26-V240 PolarHBondContact N-O 3.48Å; V26-V240 PolarHBondContact O-N 3Å; V26-A248 HydrophobicContact CB-CB 4.16Å; V26-A248 HydrophobicContact CG2-CB 3.67Å; V26-E249 HydrophobicContact CG2-CB 4.39Å; V26-V252 HydrophobicContact CG1-CG2 4.27Å
27K97.5Very high94.9Very high41 Ų4159.5 Ų59.518%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-103128.9170.7-63.8-169.7176.1-166.10110L19 Q20 L25 E213 M238L19-K27 HydrophobicContact CB-CB 4.22Å; L19-K27 PolarHBondContact N-O 2.82Å; Q20-K27 HydrophobicContact CB-CB 4.07Å; Q20-K27 HydrophobicContact CB-CG 4.44Å; Q20-K27 PolarHBondContact N-O 2.92Å; Q20-K27 PolarHBondContact O-N 2.81Å; L25-K27 HydrophobicContact CD1-CG 4.3Å; L25-K27 HydrophobicContact CD2-CD 4.46Å; L25-K27 HydrophobicContact CD2-CG 4.11Å; L25-K27 HydrophobicContact CG-CG 4.16Å; K27-E213 IonicContact NZ-OE1 3.05Å; K27-E213 PolarHBondContact NZ-OE1 3.45Å; K27-E213 IonicContact NZ-OE2 3.43Å; K27-E213 PolarHBondContact NZ-OE2 2.75Å; K27-M238 WeakPolarHBondContact CA-O 3.47Å
28F97.4Very high94.9Very high6 Ų657 Ų573%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-148.3162.8178.459.2-83.6000110.9L16 D17 V26 I30 F45 M238 V240 V252L16-F28 HydrophobicContact CD1-CD2 4.28Å; D17-F28 CarbonylContact O-C 3.52Å; D17-F28 VanDerWaalsContact O-CA 3.29Å; D17-F28 WeakPolarHBondContact O-CA 3.5Å; D17-F28 WeakPolarHBondContact O-CB 3.32Å; V26-F28 HydrophobicContact CG1-CD1 3.64Å; V26-F28 HydrophobicContact CG1-CE1 4.07Å; F28-I30 HydrophobicContact CD2-CD1 4.24Å; F28-I30 HydrophobicContact CD2-CG1 3.76Å; F28-I30 HydrophobicContact CE2-CD1 3.66Å; F28-I30 HydrophobicContact CE2-CG1 3.71Å; F28-F45 HydrophobicContact CZ-CE2 4.23Å; F28-M238 HydrophobicContact CD2-CB 4.36Å; F28-M238 HydrophobicContact CE1-CB 4.09Å; F28-M238 HydrophobicContact CE2-CB 3.76Å; F28-M238 HydrophobicContact CE2-CG 4.25Å; F28-M238 HydrophobicContact CE2-SD 3.95Å; F28-M238 HydrophobicContact CZ-CB 3.64Å; F28-M238 HydrophobicContact CZ-CG 4.41Å; F28-M238 HydrophobicContact CZ-SD 4.13Å; F28-M238 PolarHBondContact N-O 2.64Å; F28-M238 PolarHBondContact O-N 2.77Å; F28-M238 VanDerWaalsContact O-O 3.08Å; F28-V240 HydrophobicContact CE1-CG2 4.16Å; F28-V252 HydrophobicContact CE1-CG2 4.1Å
29S96.7Very high94.9Very high2 Ų255 Ų551%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-117.9139.9169.769.80000111.1L16 D17 F236L16-S29 WeakPolarHBondContact CA-O 3.28Å; D17-S29 PolarHBondContact N-O 2.64Å; D17-S29 PolarHBondContact O-N 2.84Å; S29-F236 CarbonylContact C-O 3.47Å; S29-F236 WeakPolarHBondContact CA-O 3.44Å
30I95.9Very high95Very high10 Ų1053.4 Ų53.45%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-112.8122.6173.6-54-179.7000108.3I14 K15 L16 F28 T33 L41 K235 F236 M238I14-I30 HydrophobicContact CG2-CG2 3.48Å; I14-I30 VanDerWaalsContact CG2-CG2 3.48Å; K15-I30 WeakPolarHBondContact O-CA 3.43Å; L16-I30 HydrophobicContact CD1-CG1 4.4Å; F28-I30 HydrophobicContact CD2-CD1 4.24Å; F28-I30 HydrophobicContact CD2-CG1 3.76Å; F28-I30 HydrophobicContact CE2-CD1 3.66Å; F28-I30 HydrophobicContact CE2-CG1 3.71Å; I30-T33 HydrophobicContact CB-CG2 4.21Å; I30-T33 HydrophobicContact CG2-CG2 3.55Å; I30-L41 HydrophobicContact CD1-CD1 3.84Å; I30-K235 WeakPolarHBondContact O-CA 3.29Å; I30-F236 PolarHBondContact N-O 2.9Å; I30-F236 PolarHBondContact O-N 2.8Å; I30-M238 HydrophobicContact CD1-SD 4.19Å
31E94.9Very high95Very high39 Ų3949.9 Ų49.918%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-109.3156.2176.2-67.3176.6169.200111I14 K15 T33 R234 K235I14-E31 WeakPolarHBondContact CA-O 3.31Å; K15-E31 HydrophobicContact CB-CB 4.17Å; K15-E31 WeakPolarHBondContact CD-OE2 3.49Å; K15-E31 PolarHBondContact N-O 3.48Å; K15-E31 VanDerWaalsContact N-O 3.1Å; K15-E31 IonicContact NZ-OE2 3.03Å; K15-E31 PolarHBondContact NZ-OE2 3.45Å; K15-E31 PolarHBondContact O-N 2.88Å; E31-T33 VanDerWaalsContact C-N 3.31Å; E31-T33 PolarHBondContact O-N 3.24Å; E31-R234 CarbonylContact C-O 3.43Å; E31-R234 WeakPolarHBondContact CA-O 2.92Å; E31-K235 HydrophobicContact CG-CB 4.16Å; E31-K235 HydrophobicContact CG-CD 3.81Å; E31-K235 HydrophobicContact CG-CG 3.76Å; E31-K235 WeakPolarHBondContact OE1-CD 3.27Å; E31-K235 WeakPolarHBondContact OE1-CE 3.46Å; E31-K235 IonicContact OE1-NZ 2.7Å; E31-K235 PolarHBondContact OE1-NZ 3.36Å
32N93Very high95Very high64 Ų6449.7 Ų49.734%0.34225%0.249SC..SBendtrans62.632.5178.9-57.4-38.8000114.3P12 L13 R234P12-N32 HydrophobicContact CB-CB 4.08Å; P12-N32 HydrophobicContact CG-CB 4.03Å; L13-N32 PolarHBondContact O-ND2 2.98Å; N32-R234 PolarHBondContact N-O 2.89Å
33T92.8Very high95.2Very high14 Ų1454.2 Ų54.29%0.08626%0.261CS..  trans-118.7173.2175.1-168.80000111.5I30 E31 L37 A38 F236I30-T33 HydrophobicContact CB-CG2 4.21Å; I30-T33 HydrophobicContact CG2-CG2 3.55Å; E31-T33 VanDerWaalsContact C-N 3.31Å; E31-T33 PolarHBondContact O-N 3.24Å; T33-L37 WeakPolarHBondContact OG1-CD2 3.31Å; T33-A38 HydrophobicContact CG2-CB 4.38Å; T33-F236 HydrophobicContact CG2-CD2 3.31Å; T33-F236 HydrophobicContact CG2-CE2 3.47Å; T33-F236 VanDerWaalsContact CG2-CE2 3.47Å; T33-F236 HydrophobicContact CG2-CG 4.44Å
34R93.4Very high95.6Very high159 Ų15951.1 Ų51.160%0.624%0.244SC*.  trans-98.7150176-66.5179.8174.8173-4110.6S36 L37 A38R34-S36 PolarHBondContact O-N 3.05Å; R34-S36 VanDerWaalsContact O-N 3.17Å; R34-L37 PolarHBondContact O-N 2.91Å; R34-A38 PolarHBondContact O-N 3.36Å
35L94.8Very high95.9Very high60 Ų6046.1 Ų46.131%0.31422%0.221SC..Hα-helixtrans-53.3-37.3174.5174.860.9000112.6L37 A38 N39 F190 Y192 P233 F236L35-L37 PolarHBondContact O-N 2.78Å; L35-A38 PolarHBondContact O-N 2.9Å; L35-N39 VanDerWaalsContact O-CB 3.27Å; L35-N39 WeakPolarHBondContact O-CB 3Å; L35-N39 PolarHBondContact O-N 2.88Å; L35-F190 HydrophobicContact CD1-CE1 3.92Å; L35-F190 HydrophobicContact CD1-CZ 3.7Å; L35-Y192 HydrophobicContact CD1-CD1 4.06Å; L35-Y192 HydrophobicContact CD1-CE1 3.91Å; L35-P233 HydrophobicContact CB-CG 3.93Å; L35-P233 HydrophobicContact CD2-CG 4.49Å; L35-F236 VanDerWaalsContact CA-CZ 3.45Å; L35-F236 HydrophobicContact CB-CE1 3.99Å; L35-F236 HydrophobicContact CB-CZ 3.95Å; L35-F236 HydrophobicContact CD1-CD1 4.48Å; L35-F236 HydrophobicContact CD1-CE1 3.71Å; L35-F236 HydrophobicContact CG-CE1 4.47Å
36S94.9Very high95.9Very high80 Ų8046.7 Ų46.756%0.55922%0.224SC*.Hα-helixtrans-63-42.2177.957.70000112.9R34 T40R34-S36 PolarHBondContact O-N 3.05Å; R34-S36 VanDerWaalsContact O-N 3.17Å; S36-T40 WeakPolarHBondContact O-CB 3.21Å; S36-T40 PolarHBondContact O-N 2.86Å; S36-T40 PolarHBondContact O-OG1 3.13Å
37L94Very high95.9Very high63 Ų6347.5 Ų47.533%0.3323%0.231SC..Hα-helixtrans-70.3-44.5178.3-178.457.4000110.7I14 T33 R34 L35 N39 T40 L41 L259I14-L37 HydrophobicContact CD1-CD2 4.19Å; T33-L37 WeakPolarHBondContact OG1-CD2 3.31Å; R34-L37 PolarHBondContact O-N 2.91Å; L35-L37 PolarHBondContact O-N 2.78Å; L37-N39 PolarHBondContact O-N 3.37Å; L37-T40 WeakPolarHBondContact O-CB 3.35Å; L37-T40 PolarHBondContact O-N 3.25Å; L37-T40 VanDerWaalsContact O-N 3.13Å; L37-L41 WeakPolarHBondContact O-CG 3.21Å; L37-L41 PolarHBondContact O-N 2.72Å; L37-L259 HydrophobicContact CD1-CD2 4.15Å
38A95.4Very high95.8Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-62-43.717900000111.8T33 R34 L35 T40 L41 R42 F190 F236T33-A38 HydrophobicContact CG2-CB 4.38Å; R34-A38 PolarHBondContact O-N 3.36Å; L35-A38 PolarHBondContact O-N 2.9Å; A38-T40 VanDerWaalsContact C-N 3.33Å; A38-T40 PolarHBondContact O-N 3.15Å; A38-L41 PolarHBondContact O-N 3.19Å; A38-R42 PolarHBondContact O-N 2.9Å; A38-R42 VanDerWaalsContact O-N 3.08Å; A38-F190 HydrophobicContact CB-CE2 3.66Å; A38-F190 HydrophobicContact CB-CZ 4.07Å; A38-F236 HydrophobicContact CB-CB 4.18Å; A38-F236 HydrophobicContact CB-CD1 3.75Å; A38-F236 HydrophobicContact CB-CD2 3.89Å; A38-F236 HydrophobicContact CB-CE1 4.14Å; A38-F236 HydrophobicContact CB-CE2 4.25Å; A38-F236 HydrophobicContact CB-CG 3.63Å; A38-F236 HydrophobicContact CB-CZ 4.37Å
39N96.2Very high95.8Very high61 Ų6146.7 Ų46.733%0.32623%0.228SC..Hα-helixtrans-67.8-32.2174.1-172.335.3000112.6L35 L37 R42 R43L35-N39 VanDerWaalsContact O-CB 3.27Å; L35-N39 WeakPolarHBondContact O-CB 3Å; L35-N39 PolarHBondContact O-N 2.88Å; L37-N39 PolarHBondContact O-N 3.37Å; N39-R42 PolarHBondContact O-N 3.34Å; N39-R43 VanDerWaalsContact O-CG 3.27Å; N39-R43 WeakPolarHBondContact O-CG 3.31Å; N39-R43 PolarHBondContact O-N 3Å
40T96.9Very high95.8Very high57 Ų5747 Ų4735%0.3523%0.23SC..Hα-helixtrans-63.9-46.4174.2-61.50000110.8S36 L37 A38 R42 R43 I44 L259S36-T40 WeakPolarHBondContact O-CB 3.21Å; S36-T40 PolarHBondContact O-N 2.86Å; S36-T40 PolarHBondContact O-OG1 3.13Å; L37-T40 WeakPolarHBondContact O-CB 3.35Å; L37-T40 PolarHBondContact O-N 3.25Å; L37-T40 VanDerWaalsContact O-N 3.13Å; A38-T40 VanDerWaalsContact C-N 3.33Å; A38-T40 PolarHBondContact O-N 3.15Å; T40-R42 VanDerWaalsContact C-N 3.35Å; T40-R42 PolarHBondContact O-N 3.28Å; T40-R43 PolarHBondContact O-N 2.82Å; T40-I44 HydrophobicContact CG2-CD1 3.91Å; T40-I44 HydrophobicContact CG2-CG1 4.46Å; T40-I44 WeakPolarHBondContact O-CG1 3.39Å; T40-I44 PolarHBondContact O-N 2.69Å; T40-L259 HydrophobicContact CG2-CD1 4.19Å
41L96.5Very high95.9Very high13 Ų1346.7 Ų46.77%0.06823%0.229CC..Hα-helixtrans-57.5-47.8175.2-68.8173.9000111.4I30 L37 A38 R43 I44 F45 M238 L256 L259I30-L41 HydrophobicContact CD1-CD1 3.84Å; L37-L41 WeakPolarHBondContact O-CG 3.21Å; L37-L41 PolarHBondContact O-N 2.72Å; A38-L41 PolarHBondContact O-N 3.19Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 2.82Å; L41-I44 PolarHBondContact O-N 2.99Å; L41-I44 VanDerWaalsContact O-N 3.13Å; L41-F45 HydrophobicContact CB-CE2 4.09Å; L41-F45 HydrophobicContact CB-CZ 4.07Å; L41-F45 VanDerWaalsContact O-CD2 3.3Å; L41-F45 WeakPolarHBondContact O-CD2 3.49Å; L41-F45 VanDerWaalsContact O-CG 3.23Å; L41-F45 WeakPolarHBondContact O-CG 3.49Å; L41-F45 PolarHBondContact O-N 3.19Å; L41-M238 HydrophobicContact CB-CE 4.4Å; L41-L256 HydrophobicContact CD2-CD2 3.58Å; L41-L259 HydrophobicContact CD2-CD2 3.79Å
42R96.9Very high96Very high84 Ų8445 Ų4532%0.31722%0.221SC..Hα-helixtrans-52.7-47.5174.8179.1-178.2176.8-89-6.4112.2A38 N39 T40 I44 F45 I46 V188 F190 M238A38-R42 PolarHBondContact O-N 2.9Å; A38-R42 VanDerWaalsContact O-N 3.08Å; N39-R42 PolarHBondContact O-N 3.34Å; T40-R42 VanDerWaalsContact C-N 3.35Å; T40-R42 PolarHBondContact O-N 3.28Å; R42-I44 VanDerWaalsContact C-N 3.34Å; R42-F45 PolarHBondContact O-N 3.4Å; R42-I46 HydrophobicContact CG-CD1 4.37Å; R42-I46 WeakPolarHBondContact O-CG1 3.48Å; R42-I46 PolarHBondContact O-N 2.74Å; R42-V188 HydrophobicContact CB-CG1 4.44Å; R42-V188 HydrophobicContact CG-CB 4.3Å; R42-V188 HydrophobicContact CG-CG1 3.8Å; R42-F190 HydrophobicContact CB-CD2 4.44Å; R42-M238 HydrophobicContact CB-CE 3.87Å
43R97.2Very high96.2Very high163 Ų16342 Ų4262%0.61521%0.205SC*.Hα-helixtrans-66.9-36-179.2-71.1174.670.81684.8112.4N39 T40 L41 I46 A47N39-R43 VanDerWaalsContact O-CG 3.27Å; N39-R43 WeakPolarHBondContact O-CG 3.31Å; N39-R43 PolarHBondContact O-N 3Å; T40-R43 PolarHBondContact O-N 2.82Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 2.82Å; R43-I46 PolarHBondContact O-N 2.92Å; R43-A47 WeakPolarHBondContact O-CB 3.31Å; R43-A47 PolarHBondContact O-N 2.88Å
44I97.9Very high96.5Very high7 Ų741.4 Ų41.44%0.03620%0.202CC..Hα-helixtrans-66.5-45.2177.9-73.8176.4000110.7T40 L41 R42 I46 A47 E48 V49 G255 V258 L259T40-I44 HydrophobicContact CG2-CD1 3.91Å; T40-I44 HydrophobicContact CG2-CG1 4.46Å; T40-I44 WeakPolarHBondContact O-CG1 3.39Å; T40-I44 PolarHBondContact O-N 2.69Å; L41-I44 PolarHBondContact O-N 2.99Å; L41-I44 VanDerWaalsContact O-N 3.13Å; R42-I44 VanDerWaalsContact C-N 3.34Å; I44-I46 PolarHBondContact O-N 3.46Å; I44-A47 PolarHBondContact O-N 3.47Å; I44-E48 HydrophobicContact CG2-CB 4.28Å; I44-E48 PolarHBondContact O-N 2.88Å; I44-V49 HydrophobicContact CG2-CG2 4.5Å; I44-V49 PolarHBondContact O-N 3.18Å; I44-G255 WeakPolarHBondContact CG2-O 3.4Å; I44-V258 HydrophobicContact CG2-CB 4.44Å; I44-V258 HydrophobicContact CG2-CG1 4.42Å; I44-L259 HydrophobicContact CD1-CB 3.61Å; I44-L259 HydrophobicContact CD1-CD1 3.67Å; I44-L259 HydrophobicContact CD1-CD2 4.29Å; I44-L259 HydrophobicContact CD1-CG 4.02Å
45F97.6Very high96.6Very high1 Ų136.6 Ų36.60%0.00419%0.188CC..Hα-helixtrans-56.9-36.6177.9-58.6-30.4000112.5F28 L41 R42 P184 T185 V188 M238 V240 I251 V252F28-F45 HydrophobicContact CZ-CE2 4.23Å; L41-F45 HydrophobicContact CB-CE2 4.09Å; L41-F45 HydrophobicContact CB-CZ 4.07Å; L41-F45 VanDerWaalsContact O-CD2 3.3Å; L41-F45 WeakPolarHBondContact O-CD2 3.49Å; L41-F45 VanDerWaalsContact O-CG 3.23Å; L41-F45 WeakPolarHBondContact O-CG 3.49Å; L41-F45 PolarHBondContact O-N 3.19Å; R42-F45 PolarHBondContact O-N 3.4Å; F45-P184 WeakPolarHBondContact O-CG 3.38Å; F45-T185 HydrophobicContact CB-CG2 4.48Å; F45-V188 HydrophobicContact CB-CG2 4.24Å; F45-V188 HydrophobicContact CD2-CG1 4.43Å; F45-M238 HydrophobicContact CD2-CE 4.22Å; F45-M238 HydrophobicContact CE2-CE 3.88Å; F45-V240 HydrophobicContact CD2-CG2 3.7Å; F45-V240 HydrophobicContact CE2-CG2 4.03Å; F45-V240 HydrophobicContact CG-CG2 4.4Å; F45-I251 HydrophobicContact CB-CG2 4.26Å; F45-V252 HydrophobicContact CE1-CB 4.41Å; F45-V252 HydrophobicContact CE1-CG1 4.34Å; F45-V252 HydrophobicContact CZ-CB 4.4Å; F45-V252 HydrophobicContact CZ-CG1 4.01Å; F45-V252 HydrophobicContact CZ-CG2 4.35Å
46I97.2Very high96.7Very high49 Ų4940.5 Ų40.525%0.25120%0.198SC..Hα-helixtrans-78.4-45.9179-61.7167000112.1R42 R43 I44 N183 V188R42-I46 HydrophobicContact CG-CD1 4.37Å; R42-I46 WeakPolarHBondContact O-CG1 3.48Å; R42-I46 PolarHBondContact O-N 2.74Å; R43-I46 PolarHBondContact O-N 2.92Å; I44-I46 PolarHBondContact O-N 3.46Å; I46-N183 PolarHBondContact O-OD1 3.36Å; I46-V188 HydrophobicContact CD1-CB 4.34Å; I46-V188 HydrophobicContact CD1-CG2 4.31Å; I46-V188 HydrophobicContact CG1-CB 4.29Å; I46-V188 HydrophobicContact CG1-CG2 3.72Å
47A96.5Very high96.9Very high24 Ų2438.4 Ų38.420%0.19818%0.182CC..Hα-helixtrans-112.5-18.3-159.500000115R43 I44 F175 G176 K177R43-A47 WeakPolarHBondContact O-CB 3.31Å; R43-A47 PolarHBondContact O-N 2.88Å; I44-A47 PolarHBondContact O-N 3.47Å; A47-F175 WeakPolarHBondContact O-CD2 3.32Å; A47-G176 PolarHBondContact O-N 3.35Å; A47-K177 HydrophobicContact CB-CB 4.29Å; A47-K177 WeakPolarHBondContact O-CB 3.46Å; A47-K177 PolarHBondContact O-N 3.48Å
48E96.5Very high97.1Very high30 Ų3040 Ų4014%0.1419%0.188CC..THydrogen-bonded Turntrans-126.7-12.3-167.5-52.4-161.515300114.5I44 P50 K177 V258 K262I44-E48 HydrophobicContact CG2-CB 4.28Å; I44-E48 PolarHBondContact O-N 2.88Å; E48-P50 WeakPolarHBondContact O-CD 3.43Å; E48-K177 WeakPolarHBondContact OE1-CE 3.22Å; E48-K177 IonicContact OE1-NZ 3.47Å; E48-K177 PolarHBondContact OE1-NZ 3.46Å; E48-V258 HydrophobicContact CB-CG1 3.96Å; E48-K262 IonicContact OE1-NZ 3.46Å; E48-K262 PolarHBondContact OE1-NZ 2.82Å; E48-K262 WeakPolarHBondContact OE2-CE 3.46Å; E48-K262 IonicContact OE2-NZ 2.69Å; E48-K262 PolarHBondContact OE2-NZ 3.13Å
49V97.3Very high97.2Very high0 Ų042.2 Ų42.20%020%0.199CC..SBendtrans-68122.2169.2174.10000108.6I44 P184 L246 I251I44-V49 HydrophobicContact CG2-CG2 4.5Å; I44-V49 PolarHBondContact O-N 3.18Å; V49-P184 HydrophobicContact CB-CG 3.77Å; V49-P184 HydrophobicContact CG1-CB 4.43Å; V49-P184 HydrophobicContact CG1-CG 3.82Å; V49-L246 HydrophobicContact CG1-CD1 3.9Å; V49-I251 HydrophobicContact CG1-CG2 4.44Å; V49-I251 HydrophobicContact CG2-CG2 4.27Å
50P97Very high97.2Very high10 Ų1043.5 Ų43.57%0.06520%0.203CC..EExtended strand (participates in β ladder)trans-74.1146.2-177.729.9-34.3000111.5E48 V86 K173 G174E48-P50 WeakPolarHBondContact O-CD 3.43Å; P50-V86 HydrophobicContact CB-CG2 4.04Å; P50-V86 HydrophobicContact CG-CG2 4.23Å; P50-V86 WeakPolarHBondContact O-CG2 3.33Å; P50-K173 HydrophobicContact CB-CG 4.31Å; P50-G174 CarbonylContact C-O 3.51Å; P50-G174 WeakPolarHBondContact CA-O 3.31Å
51T96.9Very high97.2Very high3 Ų343.1 Ų43.12%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-139.8171.3174.354.70000110.6K173 G174 W182 P184 L246T51-K173 WeakPolarHBondContact O-CA 3.44Å; T51-G174 PolarHBondContact N-O 3.08Å; T51-G174 PolarHBondContact O-N 2.94Å; T51-W182 VanDerWaalsContact OG1-C 3.31Å; T51-W182 WeakPolarHBondContact OG1-CA 3.33Å; T51-W182 WeakPolarHBondContact OG1-CB 3.48Å; T51-W182 PolarHBondContact OG1-O 3.32Å; T51-P184 HydrophobicContact CG2-CB 3.49Å; T51-P184 VanDerWaalsContact CG2-CB 3.49Å; T51-P184 HydrophobicContact CG2-CG 4.06Å; T51-L246 HydrophobicContact CG2-CD1 3.78Å; T51-L246 HydrophobicContact CG2-CG 4.22Å
52I97.1Very high97.2Very high2 Ų244.3 Ų44.31%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-105.5126173-59.3173000108.3L80 V85 V86 M89 V134 A171I52-L80 HydrophobicContact CG2-CD1 4.32Å; I52-V85 HydrophobicContact CD1-CB 4.02Å; I52-V85 HydrophobicContact CD1-CG1 3.91Å; I52-V86 HydrophobicContact CD1-CB 4.5Å; I52-V86 HydrophobicContact CG1-CB 4.42Å; I52-V86 HydrophobicContact CG1-CG2 4.4Å; I52-M89 HydrophobicContact CD1-SD 3.58Å; I52-M89 VanDerWaalsContact CD1-SD 3.58Å; I52-M89 HydrophobicContact CG1-SD 3.78Å; I52-V134 HydrophobicContact CD1-CG2 4.08Å; I52-V134 HydrophobicContact CG2-CG1 4.03Å; I52-A171 HydrophobicContact CG2-CB 3.65Å
53A97.7Very high97.2Very high3 Ų343.6 Ų43.63%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-140.9158.8175.500000110.6D55 A171 R172 K181 W182A53-D55 PolarHBondContact O-N 3.43Å; A53-A171 CarbonylContact O-C 3.48Å; A53-A171 VanDerWaalsContact O-CA 3.24Å; A53-A171 WeakPolarHBondContact O-CA 3.27Å; A53-R172 PolarHBondContact N-O 3.36Å; A53-R172 VanDerWaalsContact N-O 3.17Å; A53-R172 PolarHBondContact O-N 2.86Å; A53-K181 HydrophobicContact CB-CB 4.46Å; A53-K181 HydrophobicContact CB-CD 4.34Å; A53-K181 HydrophobicContact CB-CG 4Å; A53-W182 HydrophobicContact CB-CG 4.21Å
54I97.8Very high97.1Very high1 Ų136.6 Ų36.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-69.2126.6179.2-61.5173.7000109.5V57 V75 L80 L108 M127 C169 A171 K181I54-V57 HydrophobicContact CG2-CG2 3.7Å; I54-V75 HydrophobicContact CD1-CG1 3.49Å; I54-V75 VanDerWaalsContact CD1-CG1 3.49Å; I54-V75 HydrophobicContact CG2-CG1 4.16Å; I54-L80 HydrophobicContact CG1-CD1 3.94Å; I54-L108 HydrophobicContact CG1-CD1 4.44Å; I54-M127 HydrophobicContact CD1-CE 3.67Å; I54-C169 HydrophobicContact CD1-CB 4.06Å; I54-C169 HydrophobicContact CG1-CB 4.35Å; I54-C169 HydrophobicContact CG2-CB 3.75Å; I54-A171 HydrophobicContact CG1-CB 4.25Å; I54-K181 PolarHBondContact O-NZ 2.98Å
55D97.2Very high96.9Very high57 Ų5740.8 Ų40.831%0.30522%0.215SC..EExtended strand (participates in β ladder)trans-118.3-41.6-176.9-167.650.3000112.8A53 F170 R172 K181 W182A53-D55 PolarHBondContact O-N 3.43Å; D55-F170 PolarHBondContact N-O 3.01Å; D55-R172 HydrophobicContact CB-CB 4.22Å; D55-R172 HydrophobicContact CB-CG 4.24Å; D55-R172 WeakPolarHBondContact OD2-CD 3.47Å; D55-R172 IonicContact OD2-CZ 2.64Å; D55-R172 IonicContact OD2-NH1 3.94Å; D55-R172 PolarHBondContact OD2-NH1 2.76Å; D55-R172 VanDerWaalsContact OD2-NH1 3.13Å; D55-K181 IonicContact OD1-NZ 3.75Å; D55-K181 PolarHBondContact OD1-NZ 2.8Å; D55-W182 HydrophobicContact CB-CZ2 4.24Å; D55-W182 WeakPolarHBondContact OD1-CH2 3.49Å
56W96.9Very high96.9Very high143 Ų14343.2 Ų43.254%0.54223%0.228SC..EExtended strand (participates in β ladder)trans-110.2130.5176.4-87.680000110.5F100 C169 F170 R172W56-F100 HydrophobicContact CB-CE1 4.23Å; W56-F100 HydrophobicContact CB-CZ 3.97Å; W56-F100 HydrophobicContact CD2-CZ 4.14Å; W56-F100 HydrophobicContact CG-CE1 4.11Å; W56-F100 AromaticContact CG-CZ 3.74Å; W56-F100 HydrophobicContact CG-CZ 3.74Å; W56-C169 CarbonylContact O-C 3.53Å; W56-C169 VanDerWaalsContact O-CA 3.27Å; W56-C169 WeakPolarHBondContact O-CA 3.49Å; W56-F170 HydrophobicContact CB-CB 4.1Å; W56-F170 HydrophobicContact CB-CD2 4.25Å; W56-F170 PolarHBondContact N-O 3.03Å; W56-F170 PolarHBondContact O-N 3.17Å; W56-R172 VanDerWaalsContact CD1-NH1 3.28Å; W56-R172 VanDerWaalsContact NE1-NH1 3.18Å
57V97.9Very high96.9Very high35 Ų3544.4 Ų44.421%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-126.7114.2177.1-175.40000108.3I54 I59 A72 V75 L167I54-V57 HydrophobicContact CG2-CG2 3.7Å; V57-I59 HydrophobicContact CG1-CG1 4.13Å; V57-A72 HydrophobicContact CB-CB 4.2Å; V57-A72 HydrophobicContact CG1-CB 4.45Å; V57-A72 HydrophobicContact CG2-CB 4.28Å; V57-V75 HydrophobicContact CG2-CG1 4.47Å; V57-L167 HydrophobicContact CG1-CB 4.42Å
58Q97.8Very high96.9Very high97 Ų9746.6 Ų46.645%0.45325%0.248SC..EExtended strand (participates in β ladder)trans-99.5112.6172.2-177.4179.118.800108.6L167 R168Q58-L167 CarbonylContact O-C 3.56Å; Q58-L167 VanDerWaalsContact O-CA 3.31Å; Q58-L167 WeakPolarHBondContact O-CA 3.36Å; Q58-R168 HydrophobicContact CB-CB 4.33Å; Q58-R168 PolarHBondContact N-O 2.74Å; Q58-R168 PolarHBondContact O-N 3.48Å
59I97.5Very high97Very high47 Ų4751.8 Ų51.824%0.24127%0.273CS..EExtended strand (participates in β ladder)trans-90.5117.6177.2-64.5170.7000108.1V57 N62 D68 L167V57-I59 HydrophobicContact CG1-CG1 4.13Å; I59-N62 HydrophobicContact CG2-CB 3.71Å; I59-D68 HydrophobicContact CD1-CB 3.5Å; I59-D68 VanDerWaalsContact CD1-CB 3.5Å; I59-L167 HydrophobicContact CG1-CB 4.45Å
60E97.4Very high97Very high87 Ų8756.4 Ų56.441%0.40729%0.293SS..EExtended strand (participates in β ladder)trans-89.4-40174.8-66.4-175.4-169.400111K166 R168E60-K166 HydrophobicContact CB-CB 4.39Å; E60-K166 HydrophobicContact CB-CD 4.28Å; E60-K166 HydrophobicContact CB-CG 4.31Å; E60-K166 PolarHBondContact N-O 2.8Å; E60-K166 WeakPolarHBondContact OE2-CD 3.28Å; E60-K166 WeakPolarHBondContact OE2-CE 3.34Å; E60-K166 IonicContact OE2-NZ 2.7Å; E60-K166 PolarHBondContact OE2-NZ 3.26Å; E60-R168 WeakPolarHBondContact OE1-CD 3.43Å
61V97Very high97Very high50 Ų5055.9 Ų55.930%0.30329%0.29SS..EExtended strand (participates in β ladder)trans-144.4122.8178.7-178.20000108.8T63 Q164 L165 K166V61-T63 HydrophobicContact CG1-CG2 4.25Å; V61-Q164 HydrophobicContact CG1-CB 4.21Å; V61-Q164 HydrophobicContact CG1-CG 4.16Å; V61-L165 CarbonylContact O-C 3.58Å; V61-L165 WeakPolarHBondContact O-CA 3.42Å; V61-K166 HydrophobicContact CB-CB 3.99Å; V61-K166 HydrophobicContact CG2-CB 4.34Å; V61-K166 PolarHBondContact N-O 3.46Å; V61-K166 VanDerWaalsContact N-O 3.13Å; V61-K166 PolarHBondContact O-N 3.47Å
62N96.9Very high97.1Very high37 Ų3757.2 Ų57.220%0.19830%0.301CS..EExtended strand (participates in β ladder)trans-131.5108.3165.3179.118000109.6I59 T64 L66 D68 I71 L165I59-N62 HydrophobicContact CG2-CB 3.71Å; N62-T64 VanDerWaalsContact OD1-CB 3.28Å; N62-T64 WeakPolarHBondContact OD1-CB 3.27Å; N62-T64 VanDerWaalsContact OD1-CG2 3.31Å; N62-T64 WeakPolarHBondContact OD1-CG2 3.29Å; N62-T64 PolarHBondContact OD1-N 3.24Å; N62-T64 PolarHBondContact OD1-OG1 3.29Å; N62-L66 PolarHBondContact ND2-O 3.46Å; N62-D68 VanDerWaalsContact CB-OD1 3.31Å; N62-D68 WeakPolarHBondContact CB-OD1 3.44Å; N62-D68 PolarHBondContact ND2-OD1 3.17Å; N62-I71 WeakPolarHBondContact ND2-CD1 3.38Å; N62-L165 HydrophobicContact CB-CD1 4.18Å
63T96.1Very high97.1Very high70 Ų7062.3 Ų62.343%0.42932%0.324SS..  trans-115.117170.360.70000111.9V61 Q163 Q164V61-T63 HydrophobicContact CG1-CG2 4.25Å; T63-Q163 VanDerWaalsContact O-CG 3.32Å; T63-Q163 WeakPolarHBondContact O-CG 3.43Å; T63-Q163 PolarHBondContact O-NE2 3.11Å; T63-Q163 WeakPolarHBondContact OG1-CA 3.37Å; T63-Q164 PolarHBondContact N-O 2.98Å; T63-Q164 PolarHBondContact OG1-N 2.96Å; T63-Q164 PolarHBondContact OG1-O 3.31Å
64T95.3Very high97.1Very high15 Ų1566.5 Ų66.59%0.09234%0.339CS..SBendtrans-76.3167.1176.582.40000110.3N62 L66 M159 L165N62-T64 VanDerWaalsContact OD1-CB 3.28Å; N62-T64 WeakPolarHBondContact OD1-CB 3.27Å; N62-T64 VanDerWaalsContact OD1-CG2 3.31Å; N62-T64 WeakPolarHBondContact OD1-CG2 3.29Å; N62-T64 PolarHBondContact OD1-N 3.24Å; N62-T64 PolarHBondContact OD1-OG1 3.29Å; T64-L66 PolarHBondContact O-N 3.24Å; T64-L66 PolarHBondContact OG1-N 3.38Å; T64-L66 PolarHBondContact OG1-O 2.82Å; T64-M159 HydrophobicContact CG2-CG 3.82Å; T64-M159 HydrophobicContact CG2-SD 3.7Å; T64-L165 HydrophobicContact CG2-CB 3.9Å; T64-L165 HydrophobicContact CG2-CD1 4.24Å; T64-L165 HydrophobicContact CG2-CG 4.47Å
65P94.1Very high97.1Very high96 Ų9666.4 Ų66.462%0.62334%0.339SS*.SBendtrans-77.7-3.9178.232.6-33.5000113.5
66L96.5Very high97.1Very high51 Ų5164.1 Ų64.127%0.26733%0.329SS..SBendtrans-94140.1178.8-60.4176.9000109.7N62 T64 F70 I71 A157N62-L66 PolarHBondContact ND2-O 3.46Å; T64-L66 PolarHBondContact O-N 3.24Å; T64-L66 PolarHBondContact OG1-N 3.38Å; T64-L66 PolarHBondContact OG1-O 2.82Å; L66-F70 HydrophobicContact CB-CD1 4.38Å; L66-F70 HydrophobicContact CD1-CD1 4.1Å; L66-F70 HydrophobicContact CD1-CE1 4.34Å; L66-F70 HydrophobicContact CD2-CD1 3.96Å; L66-F70 HydrophobicContact CD2-CE1 4.06Å; L66-F70 HydrophobicContact CG-CD1 4.37Å; L66-I71 HydrophobicContact CB-CD1 4.18Å; L66-I71 HydrophobicContact CB-CG1 3.86Å; L66-I71 HydrophobicContact CD1-CG1 4.42Å; L66-A157 HydrophobicContact CD1-CB 3.81Å
67C97.1Very high97.1Very high74 Ų7461.4 Ų61.450%0.532%0.324SS..  trans-69.3158.2173.264.80000111.7E69 F70 I71C67-E69 PolarHBondContact O-N 2.91Å; C67-F70 WeakPolarHBondContact O-CB 3.31Å; C67-F70 PolarHBondContact O-N 3.01Å; C67-F70 VanDerWaalsContact O-N 3.15Å; C67-F70 VanDerWaalsContact SG-CB 3.52Å; C67-I71 PolarHBondContact O-N 2.97Å; C67-I71 VanDerWaalsContact O-N 3.12Å
68D97.7Very high97.1Very high71 Ų7159.9 Ų59.938%0.3832%0.315SS..Hα-helixtrans-56.6-46.8-174.8-73.6-8.1000112.2I59 N62 F70 I71 A72I59-D68 HydrophobicContact CD1-CB 3.5Å; I59-D68 VanDerWaalsContact CD1-CB 3.5Å; N62-D68 VanDerWaalsContact CB-OD1 3.31Å; N62-D68 WeakPolarHBondContact CB-OD1 3.44Å; N62-D68 PolarHBondContact ND2-OD1 3.17Å; D68-F70 VanDerWaalsContact C-N 3.29Å; D68-F70 PolarHBondContact O-N 3.02Å; D68-I71 PolarHBondContact O-N 3.07Å; D68-A72 WeakPolarHBondContact O-CB 3.4Å; D68-A72 PolarHBondContact O-N 3.05Å
69E97.8Very high97Very high139 Ų13956.8 Ų56.865%0.6530%0.303SS*.Hα-helixtrans-66.1-33-179-58.381.4-179.500111.9C67 A72 H73C67-E69 PolarHBondContact O-N 2.91Å; E69-A72 PolarHBondContact O-N 2.95Å; E69-H73 WeakPolarHBondContact O-CB 3.4Å; E69-H73 PolarHBondContact O-N 3.23Å
70F97.7Very high96.9Very high96 Ų9654.5 Ų54.542%0.42129%0.292SS..Hα-helixtrans-70.7-39.4177.5-166.5-92.8000111.3L66 C67 D68 H73 R74L66-F70 HydrophobicContact CB-CD1 4.38Å; L66-F70 HydrophobicContact CD1-CD1 4.1Å; L66-F70 HydrophobicContact CD1-CE1 4.34Å; L66-F70 HydrophobicContact CD2-CD1 3.96Å; L66-F70 HydrophobicContact CD2-CE1 4.06Å; L66-F70 HydrophobicContact CG-CD1 4.37Å; C67-F70 WeakPolarHBondContact O-CB 3.31Å; C67-F70 PolarHBondContact O-N 3.01Å; C67-F70 VanDerWaalsContact O-N 3.15Å; C67-F70 VanDerWaalsContact SG-CB 3.52Å; D68-F70 VanDerWaalsContact C-N 3.29Å; D68-F70 PolarHBondContact O-N 3.02Å; F70-H73 PolarHBondContact O-N 2.82Å; F70-R74 HydrophobicContact CD1-CG 4.32Å; F70-R74 HydrophobicContact CE1-CG 4.19Å; F70-R74 WeakPolarHBondContact O-CG 3.44Å; F70-R74 PolarHBondContact O-N 2.81Å
71I97.3Very high96.8Very high0 Ų051.6 Ų51.60%028%0.28CS..Hα-helixtrans-64.6-46.7172.8-63178.9000109.9N62 L66 C67 D68 H73 R74 V75 I156 L165 L167N62-I71 WeakPolarHBondContact ND2-CD1 3.38Å; L66-I71 HydrophobicContact CB-CD1 4.18Å; L66-I71 HydrophobicContact CB-CG1 3.86Å; L66-I71 HydrophobicContact CD1-CG1 4.42Å; C67-I71 PolarHBondContact O-N 2.97Å; C67-I71 VanDerWaalsContact O-N 3.12Å; D68-I71 PolarHBondContact O-N 3.07Å; I71-H73 VanDerWaalsContact C-N 3.3Å; I71-H73 PolarHBondContact O-N 2.81Å; I71-R74 PolarHBondContact O-N 2.89Å; I71-V75 HydrophobicContact CG2-CG2 4.06Å; I71-V75 WeakPolarHBondContact O-CB 3.1Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.28Å; I71-V75 PolarHBondContact O-N 3.28Å; I71-I156 HydrophobicContact CG2-CG2 4.26Å; I71-L165 HydrophobicContact CD1-CD1 3.65Å; I71-L165 HydrophobicContact CD1-CD2 4.29Å; I71-L165 HydrophobicContact CG2-CD1 4.43Å; I71-L165 HydrophobicContact CG2-CD2 4.3Å; I71-L167 HydrophobicContact CG2-CD2 3.86Å
72A97.9Very high96.6Very high31 Ų3149.2 Ų49.226%0.25627%0.266SS..Hα-helixtrans-57.6-43177.600000111.8V57 D68 E69 V75 G76V57-A72 HydrophobicContact CB-CB 4.2Å; V57-A72 HydrophobicContact CG1-CB 4.45Å; V57-A72 HydrophobicContact CG2-CB 4.28Å; D68-A72 WeakPolarHBondContact O-CB 3.4Å; D68-A72 PolarHBondContact O-N 3.05Å; E69-A72 PolarHBondContact O-N 2.95Å; A72-V75 PolarHBondContact O-N 3.08Å; A72-G76 PolarHBondContact O-N 3.06Å
73H98.1Very high96.3Very high109 Ų10949.2 Ų49.251%0.50527%0.266SS..Hα-helixtrans-60.1-48.7174.7174.4-87.8000112.2E69 F70 I71 G76 L77E69-H73 WeakPolarHBondContact O-CB 3.4Å; E69-H73 PolarHBondContact O-N 3.23Å; F70-H73 PolarHBondContact O-N 2.82Å; I71-H73 VanDerWaalsContact C-N 3.3Å; I71-H73 PolarHBondContact O-N 2.81Å; H73-G76 PolarHBondContact O-N 3.19Å; H73-L77 VanDerWaalsContact CE1-CD1 3.4Å; H73-L77 WeakPolarHBondContact CE1-CD1 3.42Å; H73-L77 PolarHBondContact O-N 3.25Å
74R97.5Very high95.9Very high90 Ų9052.3 Ų52.334%0.3428%0.275SS..Hα-helixtrans-62.9-45.4179.1-70.7-176.974.681.54.3111.9F70 I71 G76 L77 L155 I156F70-R74 HydrophobicContact CD1-CG 4.32Å; F70-R74 HydrophobicContact CE1-CG 4.19Å; F70-R74 WeakPolarHBondContact O-CG 3.44Å; F70-R74 PolarHBondContact O-N 2.81Å; I71-R74 PolarHBondContact O-N 2.89Å; R74-G76 VanDerWaalsContact C-N 3.3Å; R74-G76 PolarHBondContact O-N 3.03Å; R74-L77 PolarHBondContact O-N 3.35Å; R74-L155 PolarHBondContact NH2-O 3.21Å; R74-I156 WeakPolarHBondContact CD-O 3.47Å; R74-I156 PolarHBondContact NE-O 3.28Å
75V96.9Very high95.8Very high0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-65.4-36.4179.9173.40000111I54 V57 I71 A72 L77 I78 M127 I156I54-V75 HydrophobicContact CD1-CG1 3.49Å; I54-V75 VanDerWaalsContact CD1-CG1 3.49Å; I54-V75 HydrophobicContact CG2-CG1 4.16Å; V57-V75 HydrophobicContact CG2-CG1 4.47Å; I71-V75 HydrophobicContact CG2-CG2 4.06Å; I71-V75 WeakPolarHBondContact O-CB 3.1Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.28Å; I71-V75 PolarHBondContact O-N 3.28Å; A72-V75 PolarHBondContact O-N 3.08Å; V75-L77 PolarHBondContact O-N 3.44Å; V75-I78 HydrophobicContact CB-CD1 4.47Å; V75-I78 HydrophobicContact CG2-CD1 4.47Å; V75-I78 PolarHBondContact O-N 3.09Å; V75-M127 HydrophobicContact CG1-CE 4.17Å; V75-I156 HydrophobicContact CG2-CD1 4.39Å; V75-I156 HydrophobicContact CG2-CG2 3.84Å
76G97.5Very high95.7Very high9 Ų947.7 Ų47.79%0.09325%0.245CC..Hα-helixtrans-62.6-24.1175.100000114.7A72 H73 R74 K181A72-G76 PolarHBondContact O-N 3.06Å; H73-G76 PolarHBondContact O-N 3.19Å; R74-G76 VanDerWaalsContact C-N 3.3Å; R74-G76 PolarHBondContact O-N 3.03Å; G76-K181 WeakPolarHBondContact O-CB 3.41Å
77L97.5Very high95.5Very high85 Ų8550.6 Ų50.645%0.44526%0.261SS..THydrogen-bonded Turntrans-93.4-0.6179.6-67.4176.3000114H73 R74 V75 P79 K181H73-L77 VanDerWaalsContact CE1-CD1 3.4Å; H73-L77 WeakPolarHBondContact CE1-CD1 3.42Å; H73-L77 PolarHBondContact O-N 3.25Å; R74-L77 PolarHBondContact O-N 3.35Å; V75-L77 PolarHBondContact O-N 3.44Å; L77-P79 WeakPolarHBondContact O-CD 3.33Å; L77-K181 HydrophobicContact CD2-CB 4Å
78I97Very high95.3Very high3 Ų356.1 Ų56.12%0.01527%0.271CS..SBendtrans-71.9121.1176.7-64.6169.8000108.3V75 L80 T124 M127 P136 I154 I156V75-I78 HydrophobicContact CB-CD1 4.47Å; V75-I78 HydrophobicContact CG2-CD1 4.47Å; V75-I78 PolarHBondContact O-N 3.09Å; I78-L80 HydrophobicContact CG2-CD2 4.44Å; I78-T124 HydrophobicContact CD1-CG2 3.85Å; I78-T124 HydrophobicContact CG1-CG2 4.27Å; I78-T124 HydrophobicContact CG2-CG2 3.71Å; I78-M127 HydrophobicContact CD1-SD 3.91Å; I78-P136 HydrophobicContact CG2-CB 4.05Å; I78-P136 HydrophobicContact CG2-CG 4.47Å; I78-I154 HydrophobicContact CG1-CG2 4.48Å; I78-I154 HydrophobicContact CG2-CD1 4.44Å; I78-I156 HydrophobicContact CD1-CD1 3.98Å; I78-I156 HydrophobicContact CD1-CG1 4.08Å
79P96.1Very high95.1Very high32 Ų3253.2 Ų53.221%0.20826%0.256CS..  trans-68.2135.4176.628.6-33.5000110L77 P136 A137 I154 A245L77-P79 WeakPolarHBondContact O-CD 3.33Å; P79-P136 WeakPolarHBondContact O-CA 3.46Å; P79-A137 HydrophobicContact CB-CB 4.2Å; P79-A137 HydrophobicContact CG-CB 4.27Å; P79-A137 PolarHBondContact O-N 3.36Å; P79-I154 HydrophobicContact CG-CD1 4.37Å; P79-A245 HydrophobicContact CB-CB 4.2Å
80L96.5Very high94.9Very high0 Ų053.4 Ų53.40%025%0.25CS..BIsolated β-bridgetrans-112.6137.7175.8-58.3-179.9000110I52 I54 I78 S82 L108 V134 V135 P136 A171 A245I52-L80 HydrophobicContact CG2-CD1 4.32Å; I54-L80 HydrophobicContact CG1-CD1 3.94Å; I78-L80 HydrophobicContact CG2-CD2 4.44Å; L80-S82 PolarHBondContact O-N 3.46Å; L80-L108 HydrophobicContact CD1-CD1 4.12Å; L80-L108 HydrophobicContact CD1-CD2 4.48Å; L80-L108 HydrophobicContact CD2-CD2 4.04Å; L80-V134 HydrophobicContact CB-CG1 4.09Å; L80-V134 HydrophobicContact CD1-CG1 4.1Å; L80-V135 CarbonylContact C-O 3.57Å; L80-V135 WeakPolarHBondContact CA-O 3.44Å; L80-P136 HydrophobicContact CD2-CG 4.28Å; L80-A171 HydrophobicContact CD1-CB 3.53Å; L80-A245 WeakPolarHBondContact O-CA 3.12Å; L80-A245 VanDerWaalsContact O-CB 3.31Å; L80-A245 WeakPolarHBondContact O-CB 3.33Å
81T95.1Very high94.8Very high26 Ų2651.1 Ų51.116%0.1624%0.239CC..  trans-60.9128.6172.7-50.20000109.5V134 V135T81-V134 WeakPolarHBondContact O-CA 3.43Å; T81-V135 PolarHBondContact N-O 3.21Å; T81-V135 PolarHBondContact OG1-O 2.79Å
82S91.3Very high94.6Very high0 Ų052.8 Ų52.80%025%0.249CC..  trans-136.4-3.7-170.3610000115.1L80 Q84 V85 V86 A245 L246L80-S82 PolarHBondContact O-N 3.46Å; S82-Q84 VanDerWaalsContact C-N 3.29Å; S82-Q84 PolarHBondContact O-N 3.19Å; S82-Q84 VanDerWaalsContact O-N 3.1Å; S82-V85 PolarHBondContact O-N 3.17Å; S82-V85 VanDerWaalsContact O-N 3.11Å; S82-V86 WeakPolarHBondContact O-CB 3.26Å; S82-V86 WeakPolarHBondContact O-CG1 3.5Å; S82-V86 PolarHBondContact O-N 3.31Å; S82-A245 PolarHBondContact N-O 2.89Å; S82-A245 PolarHBondContact OG-O 2.88Å; S82-L246 WeakPolarHBondContact OG-CD2 3.49Å; S82-L246 WeakPolarHBondContact OG-CG 3.12Å
83D91.2Very high94.3Very high37 Ų3758.2 Ų58.220%0.19826%0.263CS..THydrogen-bonded Turntrans-52.4-39.8-172-72.9-74000114.7L246 K247 N250D83-L246 HydrophobicContact CB-CD2 4.31Å; D83-L246 WeakPolarHBondContact OD1-CD2 3.46Å; D83-L246 WeakPolarHBondContact OD2-CA 3.48Å; D83-K247 PolarHBondContact OD1-N 3.3Å; D83-K247 PolarHBondContact OD2-N 3.35Å; D83-N250 PolarHBondContact OD1-ND2 3.44Å
84Q88.8Confident94.1Very high134 Ų13457.8 Ų57.863%0.62627%0.265SS*.THydrogen-bonded Turntrans-90.2-17-174.2-61-178.49.800113.9S82S82-Q84 VanDerWaalsContact C-N 3.29Å; S82-Q84 PolarHBondContact O-N 3.19Å; S82-Q84 VanDerWaalsContact O-N 3.1Å
85V92.3Very high94Very high13 Ų1354.8 Ų54.88%0.07926%0.257CS..THydrogen-bonded Turntrans-114.6-32.4-165.1-178.10000111.8I52 S82 D87 R88 M89 R133 V134I52-V85 HydrophobicContact CD1-CB 4.02Å; I52-V85 HydrophobicContact CD1-CG1 3.91Å; S82-V85 PolarHBondContact O-N 3.17Å; S82-V85 VanDerWaalsContact O-N 3.11Å; V85-D87 VanDerWaalsContact C-N 3.29Å; V85-D87 PolarHBondContact O-N 3.18Å; V85-R88 PolarHBondContact O-N 3.33Å; V85-M89 HydrophobicContact CG1-CB 4.44Å; V85-M89 WeakPolarHBondContact O-CB 3.24Å; V85-M89 PolarHBondContact O-N 3.11Å; V85-R133 HydrophobicContact CG2-CB 3.74Å; V85-V134 HydrophobicContact CB-CG2 3.92Å; V85-V134 HydrophobicContact CG1-CG2 4.07Å; V85-V134 HydrophobicContact CG2-CG2 3.79Å
86V93Very high93.7Very high2 Ų263.9 Ų63.91%0.01230%0.3CS..THydrogen-bonded Turntrans-57.3-38.8-171.469.50000113.4P50 I52 S82 K173 L246P50-V86 HydrophobicContact CB-CG2 4.04Å; P50-V86 HydrophobicContact CG-CG2 4.23Å; P50-V86 WeakPolarHBondContact O-CG2 3.33Å; I52-V86 HydrophobicContact CD1-CB 4.5Å; I52-V86 HydrophobicContact CG1-CB 4.42Å; I52-V86 HydrophobicContact CG1-CG2 4.4Å; S82-V86 WeakPolarHBondContact O-CB 3.26Å; S82-V86 WeakPolarHBondContact O-CG1 3.5Å; S82-V86 PolarHBondContact O-N 3.31Å; V86-K173 HydrophobicContact CG2-CD 4.39Å; V86-K173 HydrophobicContact CG2-CG 4.26Å; V86-K173 WeakPolarHBondContact O-CD 3.15Å; V86-K173 VanDerWaalsContact O-CE 3.26Å; V86-K173 WeakPolarHBondContact O-CE 3.42Å; V86-K173 PolarHBondContact O-NZ 3.27Å; V86-L246 HydrophobicContact CG1-CD2 4.28Å
87D91.3Very high93.6Very high111 Ų11165.5 Ų65.559%0.59431%0.309SS*.THydrogen-bonded Turntrans-72.6-31.1-178.7-68.2-24.3000112.8V85V85-D87 VanDerWaalsContact C-N 3.29Å; V85-D87 PolarHBondContact O-N 3.18Å
88R92.1Very high93.2Very high190 Ų19069.4 Ų69.472%0.71733%0.331SS*.THydrogen-bonded Turntrans-83.6-31-179.3-57.1-178.1-172.1-158.11.8112V85V85-R88 PolarHBondContact O-N 3.33Å
89M93.6Very high92.8Very high10 Ų1075 Ų755%0.04936%0.361CS..SBendtrans-68.3132.9-179.4-167.1175.7-170.300110.8I52 V85 E103 C104 V106 A171 K173I52-M89 HydrophobicContact CD1-SD 3.58Å; I52-M89 VanDerWaalsContact CD1-SD 3.58Å; I52-M89 HydrophobicContact CG1-SD 3.78Å; V85-M89 HydrophobicContact CG1-CB 4.44Å; V85-M89 WeakPolarHBondContact O-CB 3.24Å; V85-M89 PolarHBondContact O-N 3.11Å; M89-E103 WeakPolarHBondContact CG-O 3.37Å; M89-C104 WeakPolarHBondContact CE-O 3.23Å; M89-V106 HydrophobicContact CE-CG2 4.39Å; M89-A171 WeakPolarHBondContact CE-O 3.34Å; M89-K173 HydrophobicContact CB-CD 4.41Å; M89-K173 HydrophobicContact CG-CB 4.21Å; M89-K173 WeakPolarHBondContact O-CD 3.49Å; M89-K173 PolarHBondContact O-NZ 3.19Å; M89-K173 VanDerWaalsContact O-NZ 3.09Å; M89-K173 HydrophobicContact SD-CB 4.04Å
90R94.2Very high92.6Very high144 Ų14476.6 Ų76.654%0.54336%0.364SS..PPolyproline II helixtrans-84.5150.8176.1-61.3-174-174.9-166.22.4110.2E103R90-E103 PolarHBondContact N-O 2.97Å
91Y95.3Very high92.5Very high47 Ų4778.5 Ų78.518%0.18438%0.377CS..PPolyproline II helixtrans-64.2141.7165.6-66.6-76.6000109.3R93 D94 C95 K173 F175Y91-R93 PolarHBondContact O-N 3.2Å; Y91-D94 WeakPolarHBondContact CB-OD2 3.43Å; Y91-D94 PolarHBondContact O-N 2.71Å; Y91-C95 PolarHBondContact O-N 3.48Å; Y91-K173 HydrophobicContact CD1-CB 4.39Å; Y91-K173 HydrophobicContact CD1-CD 4.33Å; Y91-K173 HydrophobicContact CD1-CG 4.06Å; Y91-K173 HydrophobicContact CE1-CD 4.13Å; Y91-K173 HydrophobicContact CE1-CG 3.78Å; Y91-K173 HydrophobicContact CE2-CD 4.48Å; Y91-F175 HydrophobicContact CE1-CD1 4.12Å; Y91-F175 HydrophobicContact CE1-CE1 4.41Å
92T93.1Very high92.3Very high35 Ų3582.3 Ų82.322%0.21541%0.405CS..G310 helixtrans-58.4-37.3-177.9-49.40000112.2D94 C95 R172T92-D94 PolarHBondContact O-N 3.04Å; T92-C95 WeakPolarHBondContact O-CB 3.4Å; T92-C95 PolarHBondContact O-N 3.46Å; T92-C95 VanDerWaalsContact O-N 3.15Å; T92-R172 WeakPolarHBondContact OG1-CD 3.48Å
93R92.9Very high92.4Very high145 Ų14587.4 Ų87.455%0.54743%0.429SS..G310 helixtrans-63.8-22.2175.959.3178.8176.7-103.3-4.7114.8Y91 E178Y91-R93 PolarHBondContact O-N 3.2Å; R93-E178 IonicContact CZ-OE1 3.68Å; R93-E178 IonicContact NH1-OE1 2.95Å; R93-E178 PolarHBondContact NH1-OE1 3.46Å
94D93.7Very high92.6Very high100 Ų10085.6 Ų85.654%0.53542%0.419SS..G310 helixtrans-100.7-0.1179.8-54.9-33000111.4Y91 T92Y91-D94 WeakPolarHBondContact CB-OD2 3.43Å; Y91-D94 PolarHBondContact O-N 2.71Å; T92-D94 PolarHBondContact O-N 3.04Å
95C93.9Very high92.9Very high27 Ų2779.7 Ų79.718%0.18239%0.393CS..  trans-89.1148.5178.5-158.50000110.9Y91 T92 C101 C104Y91-C95 PolarHBondContact O-N 3.48Å; T92-C95 WeakPolarHBondContact O-CB 3.4Å; T92-C95 PolarHBondContact O-N 3.46Å; T92-C95 VanDerWaalsContact O-N 3.15Å; C95-C101 VanDerWaalsContact SG-SG 3.62Å; C95-C104 HydrophobicContact CB-CB 3.81Å
96Q92.6Very high93.1Very high192 Ų19279.5 Ų79.590%0.89739%0.392SS*.  trans-93.27.6-179.4-65-177.1-22.800113.5
97C93.8Very high93.3Very high43 Ų4381 Ų8129%0.29140%0.399SS..  trans-87.9153.7178.165.80000111.8C101C97-C101 HydrophobicContact CB-CB 4.08Å
98D88.8Confident93.6Very high167 Ų16775.8 Ų75.889%0.89337%0.371SS*.SBendtrans-70.7-47.2-179.5-64-33.8000113
99D89.5Confident93.9Very high121 Ų12169.3 Ų69.365%0.64735%0.352SS*.SBendtrans-116.2-82.9-176.7-75.9-35.1000112.1
100F92.8Very high94Very high64 Ų6468.9 Ų68.928%0.28135%0.35SS..  trans-142.4135.6-175.2-52.2-83000109.8W56 A105 F170W56-F100 HydrophobicContact CB-CE1 4.23Å; W56-F100 HydrophobicContact CB-CZ 3.97Å; W56-F100 HydrophobicContact CD2-CZ 4.14Å; W56-F100 HydrophobicContact CG-CE1 4.11Å; W56-F100 AromaticContact CG-CZ 3.74Å; W56-F100 HydrophobicContact CG-CZ 3.74Å; F100-A105 HydrophobicContact CB-CB 4.05Å; F100-A105 HydrophobicContact CD1-CB 3.78Å; F100-A105 HydrophobicContact CG-CB 4.37Å; F100-F170 HydrophobicContact CB-CD1 4.17Å; F100-F170 HydrophobicContact CB-CE1 4.3Å; F100-F170 HydrophobicContact CD1-CB 3.94Å; F100-F170 HydrophobicContact CD1-CD1 4.06Å; F100-F170 AromaticContact CD1-CG 3.96Å; F100-F170 HydrophobicContact CD1-CG 3.96Å; F100-F170 HydrophobicContact CD2-CD1 4.2Å; F100-F170 HydrophobicContact CD2-CD2 4.33Å; F100-F170 HydrophobicContact CD2-CE1 4.18Å; F100-F170 HydrophobicContact CD2-CE2 4.32Å; F100-F170 HydrophobicContact CD2-CG 4.27Å; F100-F170 HydrophobicContact CD2-CZ 4.24Å; F100-F170 HydrophobicContact CE1-CB 3.71Å; F100-F170 HydrophobicContact CE1-CD1 4.45Å; F100-F170 HydrophobicContact CE1-CD2 4.26Å; F100-F170 AromaticContact CE1-CG 3.9Å; F100-F170 HydrophobicContact CE1-CG 3.9Å; F100-F170 HydrophobicContact CE2-CD2 4.04Å; F100-F170 HydrophobicContact CE2-CE2 4.18Å; F100-F170 HydrophobicContact CE2-CG 4.29Å; F100-F170 AromaticContact CG-CD1 3.9Å; F100-F170 HydrophobicContact CG-CD1 3.9Å; F100-F170 HydrophobicContact CG-CE1 4.2Å; F100-F170 HydrophobicContact CG-CG 4.13Å; F100-F170 HydrophobicContact CZ-CB 4.28Å; F100-F170 HydrophobicContact CZ-CD2 4Å; F100-F170 HydrophobicContact CZ-CG 4.12Å
101C93.3Very high94.1Very high41 Ų4166.6 Ų66.628%0.27735%0.349SS..  trans-131.9170.3171.976.30000110.4C95 C97 E103 C104 A105C95-C101 VanDerWaalsContact SG-SG 3.62Å; C97-C101 HydrophobicContact CB-CB 4.08Å; C101-E103 PolarHBondContact O-N 3.12Å; C101-E103 VanDerWaalsContact O-N 3.12Å; C101-E103 PolarHBondContact SG-N 3.03Å; C101-C104 PolarHBondContact N-SG 2.83Å; C101-C104 VanDerWaalsContact N-SG 3.38Å; C101-C104 PolarHBondContact O-N 2.67Å; C101-A105 PolarHBondContact O-N 3.09Å; C101-A105 VanDerWaalsContact O-O 3.14Å
102S90.6Very high94Very high105 Ų10566.3 Ų66.373%0.73435%0.349SS*.THydrogen-bonded Turntrans-62-17.8179.251.80000114.4
103E93Very high94Very high107 Ų10770.4 Ų70.450%0.536%0.364SS..THydrogen-bonded Turntrans-91-20.3-178.7-57.4-61.3134.600113.4M89 R90 C101M89-E103 WeakPolarHBondContact CG-O 3.37Å; R90-E103 PolarHBondContact N-O 2.97Å; C101-E103 PolarHBondContact O-N 3.12Å; C101-E103 VanDerWaalsContact O-N 3.12Å; C101-E103 PolarHBondContact SG-N 3.03Å
104C95.3Very high94Very high0 Ų063.5 Ų63.50%034%0.338CS..THydrogen-bonded Turntrans-122.7-10.8-173.378.20000114.4M89 C95 C101M89-C104 WeakPolarHBondContact CE-O 3.23Å; C95-C104 HydrophobicContact CB-CB 3.81Å; C101-C104 PolarHBondContact N-SG 2.83Å; C101-C104 VanDerWaalsContact N-SG 3.38Å; C101-C104 PolarHBondContact O-N 2.67Å
105A96.3Very high93.9Very high9 Ų963.1 Ų63.17%0.07434%0.339CS..  trans-149.7147.5177.600000112.5F100 C101 A171 R172F100-A105 HydrophobicContact CB-CB 4.05Å; F100-A105 HydrophobicContact CD1-CB 3.78Å; F100-A105 HydrophobicContact CG-CB 4.37Å; C101-A105 PolarHBondContact O-N 3.09Å; C101-A105 VanDerWaalsContact O-O 3.14Å; A105-A171 CarbonylContact C-O 3.55Å; A105-A171 VanDerWaalsContact CA-O 3.26Å; A105-A171 WeakPolarHBondContact CA-O 3.41Å; A105-R172 HydrophobicContact CB-CG 4.5Å
106V96.5Very high93.7Very high10 Ų1065.7 Ų65.76%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-110.4130.1169.3-178.90000109.3M89 L108 D131 V134 F170 A171M89-V106 HydrophobicContact CE-CG2 4.39Å; V106-L108 HydrophobicContact CG1-CD1 4.46Å; V106-D131 HydrophobicContact CG1-CB 3.9Å; V106-V134 HydrophobicContact CB-CG1 4.44Å; V106-V134 HydrophobicContact CG1-CB 4.14Å; V106-V134 HydrophobicContact CG1-CG1 4.32Å; V106-V134 HydrophobicContact CG2-CB 4.34Å; V106-V134 HydrophobicContact CG2-CG1 4.45Å; V106-V134 HydrophobicContact CG2-CG2 4.12Å; V106-F170 CarbonylContact O-C 3.57Å; V106-F170 WeakPolarHBondContact O-CA 3.35Å; V106-A171 HydrophobicContact CB-CB 4.5Å; V106-A171 PolarHBondContact N-O 2.88Å; V106-A171 PolarHBondContact O-N 3.45Å
107E97.1Very high93.4Very high34 Ų3462.9 Ų62.916%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-88.2129.5178-175.5177.8-170.700110.8T109 K130 R168 C169 F170E107-T109 HydrophobicContact CG-CG2 4.45Å; E107-K130 HydrophobicContact CB-CB 4.24Å; E107-K130 HydrophobicContact CB-CD 4.14Å; E107-K130 WeakPolarHBondContact O-CB 3.43Å; E107-K130 PolarHBondContact O-N 2.7Å; E107-K130 IonicContact OE2-NZ 3.36Å; E107-R168 IonicContact OE1-CZ 3.22Å; E107-R168 IonicContact OE1-NE 2.92Å; E107-R168 PolarHBondContact OE1-NE 2.99Å; E107-R168 IonicContact OE1-NH2 3.13Å; E107-R168 PolarHBondContact OE1-NH2 3.13Å; E107-R168 IonicContact OE2-NH2 2.69Å; E107-C169 CarbonylContact C-O 3.59Å; E107-C169 WeakPolarHBondContact CA-O 3.39Å; E107-F170 HydrophobicContact CB-CD1 4.23Å; E107-F170 HydrophobicContact CB-CE1 4.09Å; E107-F170 HydrophobicContact CG-CD1 4.46Å; E107-F170 HydrophobicContact CG-CE1 4.02Å; E107-F170 HydrophobicContact CG-CZ 4.48Å
108L97.5Very high93.1Very high0 Ų068.7 Ų68.70%036%0.363CS..EExtended strand (participates in β ladder)trans-120.9144.4169.6-59.594.4000109.4I54 L80 V106 M127 V128 C169 A171I54-L108 HydrophobicContact CG1-CD1 4.44Å; L80-L108 HydrophobicContact CD1-CD1 4.12Å; L80-L108 HydrophobicContact CD1-CD2 4.48Å; L80-L108 HydrophobicContact CD2-CD2 4.04Å; V106-L108 HydrophobicContact CG1-CD1 4.46Å; L108-M127 HydrophobicContact CB-CE 4.19Å; L108-M127 HydrophobicContact CD2-CE 4.3Å; L108-V128 CarbonylContact C-O 3.5Å; L108-V128 WeakPolarHBondContact CA-O 3.42Å; L108-C169 HydrophobicContact CB-CB 4.22Å; L108-C169 PolarHBondContact N-O 3.31Å; L108-C169 PolarHBondContact O-N 2.95Å; L108-A171 HydrophobicContact CD1-CB 3.79Å
109T97.6Very high92.9Very high54 Ų5464.6 Ų64.633%0.33135%0.347SS..EExtended strand (participates in β ladder)trans-126.6142.4178.663.20000110.3E107 M127 V128 R168E107-T109 HydrophobicContact CG-CG2 4.45Å; T109-M127 CarbonylContact O-C 3.53Å; T109-M127 WeakPolarHBondContact O-CA 3.2Å; T109-V128 PolarHBondContact N-O 3.36Å; T109-V128 PolarHBondContact O-N 2.83Å; T109-V128 PolarHBondContact OG1-O 2.69Å; T109-R168 HydrophobicContact CG2-CG 4.19Å
110L96.2Very high92.8Very high1 Ų161.6 Ų61.61%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-129.4124.2173.1175.575.4000107.3A126 M127 I156 L165 K166 L167L110-A126 VanDerWaalsContact CD1-C 3.44Å; L110-A126 HydrophobicContact CD1-CB 3.4Å; L110-A126 VanDerWaalsContact CD1-CB 3.4Å; L110-A126 WeakPolarHBondContact CD1-O 3.45Å; L110-M127 HydrophobicContact CB-CG 4.33Å; L110-M127 HydrophobicContact CD1-CG 3.97Å; L110-I156 HydrophobicContact CD2-CD1 3.93Å; L110-L165 HydrophobicContact CD2-CD2 3.84Å; L110-L165 HydrophobicContact CD2-CG 4.29Å; L110-K166 CarbonylContact O-C 3.6Å; L110-K166 VanDerWaalsContact O-CA 3.31Å; L110-K166 WeakPolarHBondContact O-CA 3.39Å; L110-L167 HydrophobicContact CB-CD1 3.5Å; L110-L167 HydrophobicContact CB-CG 3.82Å; L110-L167 HydrophobicContact CD2-CD1 3.99Å; L110-L167 HydrophobicContact CD2-CD2 3.85Å; L110-L167 HydrophobicContact CD2-CG 3.93Å; L110-L167 HydrophobicContact CG-CD1 4.36Å; L110-L167 HydrophobicContact CG-CG 4.37Å; L110-L167 PolarHBondContact N-O 3.41Å; L110-L167 PolarHBondContact O-N 3.45Å
111N95.6Very high92.8Very high97 Ų9761.1 Ų61.152%0.51933%0.334SS..EExtended strand (participates in β ladder)trans-135.3105.9174.2-17611.5000108.7K166N111-K166 HydrophobicContact CB-CG 4.23Å
112H94.2Very high92.7Very high41 Ų4159.1 Ų59.119%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-132125.6-179-161.699.9000110.4M159 Q164 L165H112-M159 HydrophobicContact CB-CE 4.16Å; H112-M159 WeakPolarHBondContact CD2-CE 3.41Å; H112-Q164 WeakPolarHBondContact O-CA 3.21Å; H112-L165 PolarHBondContact N-O 3.23Å; H112-L165 PolarHBondContact O-N 3Å
113K93.7Very high92.9Very high121 Ų12155.4 Ų55.453%0.52629%0.293SS..EExtended strand (participates in β ladder)trans-124126.9177-175.6173.7-177174.50109.2Q164K113-Q164 HydrophobicContact CB-CB 4.39Å; K113-Q164 HydrophobicContact CB-CG 4.1Å; K113-Q164 HydrophobicContact CG-CB 4.22Å; K113-Q164 HydrophobicContact CG-CG 4.34Å
114C92.6Very high93Very high0 Ų050.3 Ų50.30%027%0.27CS..  trans-88.6107.9177.2-175.50000109.7H120 M159 R160 G162 Q163C114-H120 HydrophobicContact CB-CB 4.34Å; C114-M159 HydrophobicContact CB-CB 4.14Å; C114-R160 WeakPolarHBondContact CB-O 3.48Å; C114-G162 PolarHBondContact O-N 3.2Å; C114-Q163 PolarHBondContact N-O 3.1Å
115T91Very high92.9Very high91 Ų9152 Ų5256%0.55828%0.283SS*.  trans-95.5-24.3177.349.50000113.3K161T115-K161 WeakPolarHBondContact O-CE 3.35Å; T115-K161 WeakPolarHBondContact O-CG 3.48Å
116D89.7Confident92.7Very high81 Ų8152.9 Ų52.943%0.43329%0.291SS..SBendtrans-86.9153.6-171.2-59.5-14.2000111K118 H120 K161D116-K118 PolarHBondContact O-N 2.87Å; D116-H120 IonicContact OD2-CE1 3.53Å; D116-H120 PolarHBondContact OD2-CE1 2.96Å; D116-H120 IonicContact OD2-NE2 3.95Å; D116-H120 PolarHBondContact OD2-NE2 2.92Å; D116-K161 VanDerWaalsContact O-CB 3.27Å; D116-K161 WeakPolarHBondContact O-CB 3.36Å
117D85.9Confident92.6Very high133 Ų13352.4 Ų52.471%0.71129%0.288SS*.SBendtrans-68.5-14.1175.9-73.4-61.8000112.8K161D117-K161 HydrophobicContact CB-CD 4.41Å; D117-K161 WeakPolarHBondContact OD1-CD 3.4Å; D117-K161 WeakPolarHBondContact OD1-CE 3.29Å; D117-K161 IonicContact OD1-NZ 2.79Å; D117-K161 PolarHBondContact OD1-NZ 3.19Å; D117-K161 IonicContact OD2-NZ 2.82Å; D117-K161 PolarHBondContact OD2-NZ 2.95Å
118K87.5Confident92.5Very high165 Ų16555.2 Ų55.272%0.71731%0.307SS*.SBendtrans-79.7145.5175.1-65.6-178.4-177.9176.60110.3D116 H120D116-K118 PolarHBondContact O-N 2.87Å; K118-H120 PolarHBondContact O-CD2 2.87Å; K118-H120 PolarHBondContact O-N 3.2Å
119S84.6Confident92.4Very high81 Ų8156.2 Ų56.257%0.56631%0.314SS*.  trans-67.7125.4174.1-61.80000110M159S119-M159 CarbonylContact C-O 3.57Å; S119-M159 VanDerWaalsContact CA-O 3.31Å; S119-M159 WeakPolarHBondContact CA-O 3.48Å
120H88.4Confident92.3Very high58 Ų5861.5 Ų61.527%0.26933%0.333SS..EExtended strand (participates in β ladder)trans-105.2146.2177.5-81.4-147.4000110.5C114 D116 K118 M159C114-H120 HydrophobicContact CB-CB 4.34Å; D116-H120 IonicContact OD2-CE1 3.53Å; D116-H120 PolarHBondContact OD2-CE1 2.96Å; D116-H120 IonicContact OD2-NE2 3.95Å; D116-H120 PolarHBondContact OD2-NE2 2.92Å; K118-H120 PolarHBondContact O-CD2 2.87Å; K118-H120 PolarHBondContact O-N 3.2Å; H120-M159 PolarHBondContact N-O 3.07Å; H120-M159 PolarHBondContact O-N 2.96Å
121S91.2Very high92.1Very high54 Ų5463 Ų6338%0.37834%0.341SS..EExtended strand (participates in β ladder)trans-100.9121175-69.20000109.3T123 L155S121-T123 PolarHBondContact O-N 3.08Å; S121-L155 VanDerWaalsContact CB-CD1 3.47Å
122A92.9Very high91.9Very high0 Ų063.5 Ų63.50%035%0.352CS..EExtended strand (participates in β ladder)trans-72.6119.1160.800000107.9I156 A157 M159 L165A122-I156 WeakPolarHBondContact O-CA 3.25Å; A122-I156 WeakPolarHBondContact O-CB 3.49Å; A122-I156 PolarHBondContact O-N 3.06Å; A122-A157 HydrophobicContact CB-CB 4.48Å; A122-A157 PolarHBondContact N-O 2.76Å; A122-A157 PolarHBondContact O-N 3.45Å; A122-M159 HydrophobicContact CB-CE 3.6Å; A122-L165 HydrophobicContact CB-CD2 4.45Å
123T95.1Very high91.8Very high27 Ų2766.6 Ų66.617%0.16636%0.361CS..EExtended strand (participates in β ladder)trans-127.9175.618070.10000111.1S121 A125 A126 D153 I154 L155S121-T123 PolarHBondContact O-N 3.08Å; T123-A125 PolarHBondContact O-N 3.09Å; T123-A125 PolarHBondContact OG1-N 2.67Å; T123-A126 PolarHBondContact O-N 3.28Å; T123-A126 VanDerWaalsContact O-N 3.17Å; T123-D153 HydrophobicContact CG2-CB 4.34Å; T123-I154 CarbonylContact C-O 3.6Å; T123-I154 WeakPolarHBondContact CA-O 3.31Å; T123-I154 WeakPolarHBondContact CB-O 3.4Å; T123-L155 HydrophobicContact CG2-CD1 4.39Å
124T94.8Very high91.9Very high0 Ų060.8 Ų60.80%034%0.336CS..G310 helixtrans-56.8-24.9174.643.70000114.5I78 A126 M127 P136 C138 H141 D153 I154I78-T124 HydrophobicContact CD1-CG2 3.85Å; I78-T124 HydrophobicContact CG1-CG2 4.27Å; I78-T124 HydrophobicContact CG2-CG2 3.71Å; T124-A126 PolarHBondContact O-N 3.49Å; T124-M127 WeakPolarHBondContact O-CB 3.26Å; T124-M127 PolarHBondContact O-N 3.26Å; T124-P136 HydrophobicContact CG2-CB 3.95Å; T124-P136 HydrophobicContact CG2-CG 4.28Å; T124-C138 PolarHBondContact OG1-SG 2.95Å; T124-C138 VanDerWaalsContact OG1-SG 3.32Å; T124-H141 PolarHBondContact O-NE2 3.04Å; T124-D153 WeakPolarHBondContact OG1-CA 3.49Å; T124-D153 VanDerWaalsContact OG1-CB 3.31Å; T124-D153 WeakPolarHBondContact OG1-CB 3.49Å; T124-D153 PolarHBondContact OG1-OD1 3.38Å; T124-I154 HydrophobicContact CG2-CB 3.79Å; T124-I154 PolarHBondContact N-O 3.42Å; T124-I154 VanDerWaalsContact N-O 3.09Å; T124-I154 PolarHBondContact OG1-N 3.03Å
125A92.1Very high92Very high35 Ų3561.7 Ų61.729%0.28934%0.342SS..G310 helixtrans-56.3-32.3175.400000113.2T123 M127 I140 D153T123-A125 PolarHBondContact O-N 3.09Å; T123-A125 PolarHBondContact OG1-N 2.67Å; A125-M127 VanDerWaalsContact C-N 3.32Å; A125-I140 HydrophobicContact CB-CD1 3.63Å; A125-I140 HydrophobicContact CB-CG1 4.25Å; A125-D153 PolarHBondContact N-OD1 3.33Å; A125-D153 VanDerWaalsContact N-OD1 3.11Å
126A92.7Very high92.2Very high27 Ų2757.4 Ų57.422%0.22332%0.315CS..G310 helixtrans-85.8-4.1-178.600000113.2L110 T123 T124L110-A126 VanDerWaalsContact CD1-C 3.44Å; L110-A126 HydrophobicContact CD1-CB 3.4Å; L110-A126 VanDerWaalsContact CD1-CB 3.4Å; L110-A126 WeakPolarHBondContact CD1-O 3.45Å; T123-A126 PolarHBondContact O-N 3.28Å; T123-A126 VanDerWaalsContact O-N 3.17Å; T124-A126 PolarHBondContact O-N 3.49Å
127M94.9Very high92.3Very high1 Ų154.1 Ų54.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-78.8126.7174.9-63.1-169.68100110.3I54 V75 I78 L108 T109 L110 T124 A125 P136 H141 I156I54-M127 HydrophobicContact CD1-CE 3.67Å; V75-M127 HydrophobicContact CG1-CE 4.17Å; I78-M127 HydrophobicContact CD1-SD 3.91Å; L108-M127 HydrophobicContact CB-CE 4.19Å; L108-M127 HydrophobicContact CD2-CE 4.3Å; T109-M127 CarbonylContact O-C 3.53Å; T109-M127 WeakPolarHBondContact O-CA 3.2Å; L110-M127 HydrophobicContact CB-CG 4.33Å; L110-M127 HydrophobicContact CD1-CG 3.97Å; T124-M127 WeakPolarHBondContact O-CB 3.26Å; T124-M127 PolarHBondContact O-N 3.26Å; A125-M127 VanDerWaalsContact C-N 3.32Å; M127-P136 HydrophobicContact CB-CG 4.2Å; M127-P136 HydrophobicContact SD-CG 4.29Å; M127-H141 PolarHBondContact O-CE1 2.92Å; M127-H141 PolarHBondContact O-NE2 3.42Å; M127-I156 HydrophobicContact CG-CD1 4.45Å; M127-I156 HydrophobicContact SD-CD1 4.25Å
128V95.2Very high92.5Very high93 Ų9348.5 Ų48.556%0.56427%0.271SS*.EExtended strand (participates in β ladder)trans-111.1117.1176.4-178.50000108.4L108 T109L108-V128 CarbonylContact C-O 3.5Å; L108-V128 WeakPolarHBondContact CA-O 3.42Å; T109-V128 PolarHBondContact N-O 3.36Å; T109-V128 PolarHBondContact O-N 2.83Å; T109-V128 PolarHBondContact OG1-O 2.69Å
129S95.5Very high92.5Very high21 Ų2140.8 Ų40.815%0.14724%0.237CC..EExtended strand (participates in β ladder)trans-88.5144.1174.5-172.20000111.2D131 V134S129-D131 VanDerWaalsContact C-N 3.31Å; S129-D131 WeakPolarHBondContact CB-O 3.39Å; S129-D131 PolarHBondContact OG-N 3.06Å; S129-D131 PolarHBondContact OG-O 3.42Å; S129-V134 WeakPolarHBondContact CB-O 3.43Å; S129-V134 PolarHBondContact OG-O 3.36Å
130K94.7Very high92.5Very high165 Ų16541 Ų4172%0.71723%0.232SC*.SBendtrans-73-26.2171.9-167.9176.1-174.4173.40112.3E107E107-K130 HydrophobicContact CB-CB 4.24Å; E107-K130 HydrophobicContact CB-CD 4.14Å; E107-K130 WeakPolarHBondContact O-CB 3.43Å; E107-K130 PolarHBondContact O-N 2.7Å; E107-K130 IonicContact OE2-NZ 3.36Å
131D93.1Very high92.2Very high33 Ų3339.6 Ų39.618%0.17623%0.225CC..SBendtrans-111.6116.4173.3-169.9-26.8000109.3V106 S129 R133 V134V106-D131 HydrophobicContact CG1-CB 3.9Å; S129-D131 VanDerWaalsContact C-N 3.31Å; S129-D131 WeakPolarHBondContact CB-O 3.39Å; S129-D131 PolarHBondContact OG-N 3.06Å; S129-D131 PolarHBondContact OG-O 3.42Å; D131-R133 PolarHBondContact O-N 2.88Å; D131-R133 VanDerWaalsContact O-N 3.09Å; D131-R133 WeakPolarHBondContact OD1-CB 3.15Å; D131-R133 IonicContact OD1-CZ 3.85Å; D131-R133 PolarHBondContact OD1-N 2.92Å; D131-R133 IonicContact OD1-NE 2.71Å; D131-R133 PolarHBondContact OD1-NE 3.44Å; D131-R133 IonicContact OD1-NH2 2.82Å; D131-R133 IonicContact OD2-CZ 2.77Å; D131-R133 IonicContact OD2-NE 2.86Å; D131-R133 PolarHBondContact OD2-NE 3.32Å; D131-R133 IonicContact OD2-NH2 3.91Å; D131-R133 PolarHBondContact OD2-NH2 3.11Å; D131-V134 PolarHBondContact O-N 3.03Å; D131-V134 VanDerWaalsContact O-N 3.08Å
132S91.3Very high91.6Very high107 Ų10739 Ų3975%0.74822%0.216SC*.THydrogen-bonded Turntrans-64.8-14.1-177.760.90000113.9
133R91.6Very high91Very high105 Ų10545.2 Ų45.240%0.39624%0.243SC..THydrogen-bonded Turntrans-84.1-17.4177.3-59.1169.1-65.8178.73.5112.9V85 D131V85-R133 HydrophobicContact CG2-CB 3.74Å; D131-R133 PolarHBondContact O-N 2.88Å; D131-R133 VanDerWaalsContact O-N 3.09Å; D131-R133 WeakPolarHBondContact OD1-CB 3.15Å; D131-R133 IonicContact OD1-CZ 3.85Å; D131-R133 PolarHBondContact OD1-N 2.92Å; D131-R133 IonicContact OD1-NE 2.71Å; D131-R133 PolarHBondContact OD1-NE 3.44Å; D131-R133 IonicContact OD1-NH2 2.82Å; D131-R133 IonicContact OD2-CZ 2.77Å; D131-R133 IonicContact OD2-NE 2.86Å; D131-R133 PolarHBondContact OD2-NE 3.32Å; D131-R133 IonicContact OD2-NH2 3.91Å; D131-R133 PolarHBondContact OD2-NH2 3.11Å
134V94.8Very high90.1Very high0 Ų050.6 Ų50.60%027%0.27CS..SBendtrans-119.392-179.4-176.60000108.3I52 L80 T81 V85 V106 S129 D131I52-V134 HydrophobicContact CD1-CG2 4.08Å; I52-V134 HydrophobicContact CG2-CG1 4.03Å; L80-V134 HydrophobicContact CB-CG1 4.09Å; L80-V134 HydrophobicContact CD1-CG1 4.1Å; T81-V134 WeakPolarHBondContact O-CA 3.43Å; V85-V134 HydrophobicContact CB-CG2 3.92Å; V85-V134 HydrophobicContact CG1-CG2 4.07Å; V85-V134 HydrophobicContact CG2-CG2 3.79Å; V106-V134 HydrophobicContact CB-CG1 4.44Å; V106-V134 HydrophobicContact CG1-CB 4.14Å; V106-V134 HydrophobicContact CG1-CG1 4.32Å; V106-V134 HydrophobicContact CG2-CB 4.34Å; V106-V134 HydrophobicContact CG2-CG1 4.45Å; V106-V134 HydrophobicContact CG2-CG2 4.12Å; S129-V134 WeakPolarHBondContact CB-O 3.43Å; S129-V134 PolarHBondContact OG-O 3.36Å; D131-V134 PolarHBondContact O-N 3.03Å; D131-V134 VanDerWaalsContact O-N 3.08Å
135V94.9Very high89.1Confident19 Ų1956.4 Ų56.412%0.11530%0.3CS..  trans-129.4163-178.5-67.70000109.1L80 T81 A137 H141L80-V135 CarbonylContact C-O 3.57Å; L80-V135 WeakPolarHBondContact CA-O 3.44Å; T81-V135 PolarHBondContact N-O 3.21Å; T81-V135 PolarHBondContact OG1-O 2.79Å; V135-A137 PolarHBondContact O-N 3.37Å; V135-H141 HydrophobicContact CB-CB 4.13Å; V135-H141 HydrophobicContact CG2-CB 3.95Å
136P95.3Very high88.3Confident0 Ų058 Ų580%030%0.302CS..BIsolated β-bridgetrans-52.6133.6171.5-26.135000111.6I78 P79 L80 T124 M127 C138 H141I78-P136 HydrophobicContact CG2-CB 4.05Å; I78-P136 HydrophobicContact CG2-CG 4.47Å; P79-P136 WeakPolarHBondContact O-CA 3.46Å; L80-P136 HydrophobicContact CD2-CG 4.28Å; T124-P136 HydrophobicContact CG2-CB 3.95Å; T124-P136 HydrophobicContact CG2-CG 4.28Å; M127-P136 HydrophobicContact CB-CG 4.2Å; M127-P136 HydrophobicContact SD-CG 4.29Å; P136-C138 PolarHBondContact O-N 3.12Å; P136-H141 WeakPolarHBondContact O-CB 3.44Å
137A91.8Very high86.9Confident12 Ų1264.4 Ų64.410%0.09933%0.327CS..SBendtrans-78.326.5-176.200000113.9P79 V135 G244P79-A137 HydrophobicContact CB-CB 4.2Å; P79-A137 HydrophobicContact CG-CB 4.27Å; P79-A137 PolarHBondContact O-N 3.36Å; V135-A137 PolarHBondContact O-N 3.37Å; A137-G244 VanDerWaalsContact CB-O 3.28Å; A137-G244 WeakPolarHBondContact CB-O 3.37Å
138C90.2Very high85.4Confident16 Ų1673.8 Ų73.811%0.10836%0.364CS..SBendtrans-145.8169.2-172.161.40000112.1T124 P136 H141 K142 I154T124-C138 PolarHBondContact OG1-SG 2.95Å; T124-C138 VanDerWaalsContact OG1-SG 3.32Å; P136-C138 PolarHBondContact O-N 3.12Å; C138-H141 PolarHBondContact O-N 3.23Å; C138-K142 PolarHBondContact O-N 3.47Å; C138-I154 HydrophobicContact CB-CD1 4.33Å; C138-I154 HydrophobicContact CB-CG1 4.36Å; C138-I154 VanDerWaalsContact SG-CD1 3.59Å
139G87.9Confident84.1Confident2 Ų271.9 Ų71.92%0.02136%0.363CS..Hα-helixtrans57.1-137.8171.600000114.1H141 K142 K143 Y151 E152 D153G139-H141 PolarHBondContact O-N 2.99Å; G139-H141 VanDerWaalsContact O-N 3.16Å; G139-K142 PolarHBondContact O-N 3.03Å; G139-K142 VanDerWaalsContact O-N 3.1Å; G139-K143 PolarHBondContact O-N 3.02Å; G139-Y151 WeakPolarHBondContact O-CB 3.38Å; G139-E152 WeakPolarHBondContact CA-O 3.22Å; G139-E152 PolarHBondContact N-O 3.21Å; G139-E152 VanDerWaalsContact N-O 3.14Å; G139-D153 WeakPolarHBondContact CA-OD1 3.42Å
140I84.6Confident82.9Confident87 Ų8780 Ų8045%0.44640%0.399SS..Hα-helixtrans-55.9-36.8-175.9-62.2179.2000111.8A125 K143 L144 D153A125-I140 HydrophobicContact CB-CD1 3.63Å; A125-I140 HydrophobicContact CB-CG1 4.25Å; I140-K143 PolarHBondContact O-N 3.37Å; I140-L144 HydrophobicContact CG2-CD1 4.33Å; I140-L144 WeakPolarHBondContact O-CG 3.37Å; I140-L144 PolarHBondContact O-N 3.45Å; I140-L144 VanDerWaalsContact O-N 3.09Å; I140-D153 PolarHBondContact N-OD1 2.99Å
141H81Confident82.1Confident28 Ų2874 Ų7413%0.1337%0.372CS..Hα-helixtrans-67.8-37.7-178.4-60.4-72.3000112.3T124 M127 V135 P136 C138 G139T124-H141 PolarHBondContact O-NE2 3.04Å; M127-H141 PolarHBondContact O-CE1 2.92Å; M127-H141 PolarHBondContact O-NE2 3.42Å; V135-H141 HydrophobicContact CB-CB 4.13Å; V135-H141 HydrophobicContact CG2-CB 3.95Å; P136-H141 WeakPolarHBondContact O-CB 3.44Å; C138-H141 PolarHBondContact O-N 3.23Å; G139-H141 PolarHBondContact O-N 2.99Å; G139-H141 VanDerWaalsContact O-N 3.16Å
142K80.4Confident81.9Confident42 Ų4280.2 Ų80.218%0.18340%0.4CS..Hα-helixtrans-72.5-38.9173-168.4175.4175.8178.50111.4E24 C138 G139 L144 L145 E146 Y151E24-K142 IonicContact OE1-NZ 2.89Å; E24-K142 PolarHBondContact OE1-NZ 2.82Å; C138-K142 PolarHBondContact O-N 3.47Å; G139-K142 PolarHBondContact O-N 3.03Å; G139-K142 VanDerWaalsContact O-N 3.1Å; K142-L144 PolarHBondContact O-N 3.27Å; K142-L145 WeakPolarHBondContact O-CA 3.27Å; K142-L145 WeakPolarHBondContact O-CB 3.42Å; K142-L145 PolarHBondContact O-N 3.47Å; K142-E146 WeakPolarHBondContact CE-OE2 3.33Å; K142-E146 IonicContact NZ-OE2 2.79Å; K142-E146 PolarHBondContact O-N 3.5Å; K142-Y151 HydrophobicContact CB-CD1 3.96Å; K142-Y151 HydrophobicContact CB-CE1 4.19Å; K142-Y151 HydrophobicContact CD-CD1 4.23Å; K142-Y151 HydrophobicContact CD-CE1 4.11Å; K142-Y151 HydrophobicContact CG-CD1 4.04Å; K142-Y151 HydrophobicContact CG-CE1 3.81Å
143K79Confident82Confident130 Ų13077.1 Ų77.157%0.56538%0.375SS*.Hα-helixtrans-59.5-31.1176.4-172.2173.8-178.71780113.8G139 I140 L145 E146 Y151G139-K143 PolarHBondContact O-N 3.02Å; I140-K143 PolarHBondContact O-N 3.37Å; K143-L145 PolarHBondContact O-N 2.91Å; K143-E146 CarbonylContact C-O 3.59Å; K143-E146 WeakPolarHBondContact CA-O 3.2Å; K143-Y151 HydrophobicContact CB-CD1 4.31Å; K143-Y151 HydrophobicContact CB-CD2 3.48Å; K143-Y151 VanDerWaalsContact CB-CD2 3.48Å; K143-Y151 HydrophobicContact CB-CE2 3.82Å; K143-Y151 HydrophobicContact CB-CG 3.73Å; K143-Y151 HydrophobicContact CD-CD2 3.85Å; K143-Y151 HydrophobicContact CD-CE2 4.36Å; K143-Y151 HydrophobicContact CG-CD2 3.54Å; K143-Y151 HydrophobicContact CG-CE2 3.69Å; K143-Y151 HydrophobicContact CG-CG 4.31Å
144L76.4Confident82.2Confident140 Ų14075 Ų7573%0.73337%0.371SS*.THydrogen-bonded Turntrans-71.7-21.4175.8-70.8168.6000112.6I140 K142I140-L144 HydrophobicContact CG2-CD1 4.33Å; I140-L144 WeakPolarHBondContact O-CG 3.37Å; I140-L144 PolarHBondContact O-N 3.45Å; I140-L144 VanDerWaalsContact O-N 3.09Å; K142-L144 PolarHBondContact O-N 3.27Å
145L74.1Confident82.3Confident122 Ų12277.8 Ų77.864%0.63939%0.385SS*.THydrogen-bonded Turntrans-94.7-34.9178.4-64.7166.7000111.9K142 K143K142-L145 WeakPolarHBondContact O-CA 3.27Å; K142-L145 WeakPolarHBondContact O-CB 3.42Å; K142-L145 PolarHBondContact O-N 3.47Å; K143-L145 PolarHBondContact O-N 2.91Å
146E74.4Confident82.3Confident68 Ų6877 Ų7732%0.31838%0.38SS..  trans-125.6125.8-175.8-68.5168.9-158.300110.4K142 K143 Y148 Y151K142-E146 WeakPolarHBondContact CE-OE2 3.33Å; K142-E146 IonicContact NZ-OE2 2.79Å; K142-E146 PolarHBondContact O-N 3.5Å; K143-E146 CarbonylContact C-O 3.59Å; K143-E146 WeakPolarHBondContact CA-O 3.2Å; E146-Y148 PolarHBondContact O-N 3.4Å; E146-Y151 HydrophobicContact CB-CE1 4.4Å; E146-Y151 WeakPolarHBondContact CB-OH 3.45Å; E146-Y151 VanDerWaalsContact O-CZ 3.25Å; E146-Y151 PolarHBondContact O-OH 3.42Å
147E64.3Low82.3Confident162 Ų16277 Ų7776%0.75738%0.381SS*.SBendtrans-77.6-23.1-171.8-153.9170.7-161.100113.2
148Y63.6Low82.5Confident197 Ų19783.1 Ų83.177%0.77341%0.405SS*.SBendtrans-127119.7-173.2-61.6-80.6000112.3E146 Y151E146-Y148 PolarHBondContact O-N 3.4Å; Y148-Y151 PolarHBondContact N-OH 2.89Å; Y148-Y151 PolarHBondContact O-OH 3.15Å
149G68Low82.7Confident54 Ų5482.5 Ų82.556%0.55740%0.401SS*.SBendtrans163.6164.4177.300000112.7Y151G149-Y151 PolarHBondContact N-OH 2.86Å; G149-Y151 WeakPolarHBondContact O-CD2 3.06Å; G149-Y151 VanDerWaalsContact O-CE2 3.24Å; G149-Y151 WeakPolarHBondContact O-CE2 3.44Å
150E69.7Low83Confident190 Ų19091 Ų9189%0.88843%0.432SS*.  trans-83.7116.2165.5-73.6-169.5166.300108.8
151Y78.5Confident83.4Confident41 Ų4192 Ų9216%0.16143%0.433CS..  trans-114.687.9-175.1-56.6-66.4000109.7G139 K142 K143 E146 Y148 G149G139-Y151 WeakPolarHBondContact O-CB 3.38Å; K142-Y151 HydrophobicContact CB-CD1 3.96Å; K142-Y151 HydrophobicContact CB-CE1 4.19Å; K142-Y151 HydrophobicContact CD-CD1 4.23Å; K142-Y151 HydrophobicContact CD-CE1 4.11Å; K142-Y151 HydrophobicContact CG-CD1 4.04Å; K142-Y151 HydrophobicContact CG-CE1 3.81Å; K143-Y151 HydrophobicContact CB-CD1 4.31Å; K143-Y151 HydrophobicContact CB-CD2 3.48Å; K143-Y151 VanDerWaalsContact CB-CD2 3.48Å; K143-Y151 HydrophobicContact CB-CE2 3.82Å; K143-Y151 HydrophobicContact CB-CG 3.73Å; K143-Y151 HydrophobicContact CD-CD2 3.85Å; K143-Y151 HydrophobicContact CD-CE2 4.36Å; K143-Y151 HydrophobicContact CG-CD2 3.54Å; K143-Y151 HydrophobicContact CG-CE2 3.69Å; K143-Y151 HydrophobicContact CG-CG 4.31Å; E146-Y151 HydrophobicContact CB-CE1 4.4Å; E146-Y151 WeakPolarHBondContact CB-OH 3.45Å; E146-Y151 VanDerWaalsContact O-CZ 3.25Å; E146-Y151 PolarHBondContact O-OH 3.42Å; Y148-Y151 PolarHBondContact N-OH 2.89Å; Y148-Y151 PolarHBondContact O-OH 3.15Å; G149-Y151 PolarHBondContact N-OH 2.86Å; G149-Y151 WeakPolarHBondContact O-CD2 3.06Å; G149-Y151 VanDerWaalsContact O-CE2 3.24Å; G149-Y151 WeakPolarHBondContact O-CE2 3.44Å
152E89.2Confident84Confident163 Ų16393.2 Ų93.276%0.76245%0.454SS*.PPolyproline II helixtrans-89.3136.1170.7-65.6-163.2158.700110.8G139G139-E152 WeakPolarHBondContact CA-O 3.22Å; G139-E152 PolarHBondContact N-O 3.21Å; G139-E152 VanDerWaalsContact N-O 3.14Å
153D92.8Very high84.7Confident42 Ų4293.3 Ų93.323%0.22546%0.455CS..PPolyproline II helixtrans-81.7141.5171.6-74.5-73.9000111.1T123 T124 A125 G139 I140 L155T123-D153 HydrophobicContact CG2-CB 4.34Å; T124-D153 WeakPolarHBondContact OG1-CA 3.49Å; T124-D153 VanDerWaalsContact OG1-CB 3.31Å; T124-D153 WeakPolarHBondContact OG1-CB 3.49Å; T124-D153 PolarHBondContact OG1-OD1 3.38Å; A125-D153 PolarHBondContact N-OD1 3.33Å; A125-D153 VanDerWaalsContact N-OD1 3.11Å; G139-D153 WeakPolarHBondContact CA-OD1 3.42Å; I140-D153 PolarHBondContact N-OD1 2.99Å; D153-L155 PolarHBondContact O-N 2.86Å
154I95.7Very high85.5Confident61 Ų6189.2 Ų89.231%0.31344%0.437SS..PPolyproline II helixtrans-71.2124.3177.8-63.6167.2000109.1I78 P79 T123 T124 C138 I156I78-I154 HydrophobicContact CG1-CG2 4.48Å; I78-I154 HydrophobicContact CG2-CD1 4.44Å; P79-I154 HydrophobicContact CG-CD1 4.37Å; T123-I154 CarbonylContact C-O 3.6Å; T123-I154 WeakPolarHBondContact CA-O 3.31Å; T123-I154 WeakPolarHBondContact CB-O 3.4Å; T124-I154 HydrophobicContact CG2-CB 3.79Å; T124-I154 PolarHBondContact N-O 3.42Å; T124-I154 VanDerWaalsContact N-O 3.09Å; T124-I154 PolarHBondContact OG1-N 3.03Å; C138-I154 HydrophobicContact CB-CD1 4.33Å; C138-I154 HydrophobicContact CB-CG1 4.36Å; C138-I154 VanDerWaalsContact SG-CD1 3.59Å; I154-I156 PolarHBondContact O-N 3.03Å
155L96.1Very high86.5Confident57 Ų5782.5 Ų82.530%0.29840%0.402SS..EExtended strand (participates in β ladder)trans-68.8123.9174.4177.567.4000111R74 S121 T123 D153 K158R74-L155 PolarHBondContact NH2-O 3.21Å; S121-L155 VanDerWaalsContact CB-CD1 3.47Å; T123-L155 HydrophobicContact CG2-CD1 4.39Å; D153-L155 PolarHBondContact O-N 2.86Å; L155-K158 HydrophobicContact CD1-CG 4.04Å; L155-K158 HydrophobicContact CD2-CD 4.44Å; L155-K158 HydrophobicContact CD2-CG 4.08Å
156I96Very high87.6Confident2 Ų280.2 Ų80.21%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-93.8-56.9174.5-55.2174.9000109.6I71 R74 V75 I78 L110 A122 M127 I154 L165I71-I156 HydrophobicContact CG2-CG2 4.26Å; R74-I156 WeakPolarHBondContact CD-O 3.47Å; R74-I156 PolarHBondContact NE-O 3.28Å; V75-I156 HydrophobicContact CG2-CD1 4.39Å; V75-I156 HydrophobicContact CG2-CG2 3.84Å; I78-I156 HydrophobicContact CD1-CD1 3.98Å; I78-I156 HydrophobicContact CD1-CG1 4.08Å; L110-I156 HydrophobicContact CD2-CD1 3.93Å; A122-I156 WeakPolarHBondContact O-CA 3.25Å; A122-I156 WeakPolarHBondContact O-CB 3.49Å; A122-I156 PolarHBondContact O-N 3.06Å; M127-I156 HydrophobicContact CG-CD1 4.45Å; M127-I156 HydrophobicContact SD-CD1 4.25Å; I154-I156 PolarHBondContact O-N 3.03Å; I156-L165 HydrophobicContact CG2-CD2 4.46Å
157A95.4Very high88.7Confident2 Ų277 Ų772%0.01737%0.372CS..EExtended strand (participates in β ladder)trans-149.5147.6-178.300000111.3L66 A122L66-A157 HydrophobicContact CD1-CB 3.81Å; A122-A157 HydrophobicContact CB-CB 4.48Å; A122-A157 PolarHBondContact N-O 2.76Å; A122-A157 PolarHBondContact O-N 3.45Å
158K95.2Very high90.3Very high140 Ų14073.1 Ų73.161%0.60935%0.351SS*.EExtended strand (participates in β ladder)trans-97134.9167.7-67.4-176.1179.5-1800109.1L155L155-K158 HydrophobicContact CD1-CG 4.04Å; L155-K158 HydrophobicContact CD2-CD 4.44Å; L155-K158 HydrophobicContact CD2-CG 4.08Å
159M94.2Very high91.9Very high2 Ų263.8 Ų63.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-128.4147.9-174-66.7179.6-63.700111T64 H112 C114 S119 H120 A122 Q163 L165T64-M159 HydrophobicContact CG2-CG 3.82Å; T64-M159 HydrophobicContact CG2-SD 3.7Å; H112-M159 HydrophobicContact CB-CE 4.16Å; H112-M159 WeakPolarHBondContact CD2-CE 3.41Å; C114-M159 HydrophobicContact CB-CB 4.14Å; S119-M159 CarbonylContact C-O 3.57Å; S119-M159 VanDerWaalsContact CA-O 3.31Å; S119-M159 WeakPolarHBondContact CA-O 3.48Å; H120-M159 PolarHBondContact N-O 3.07Å; H120-M159 PolarHBondContact O-N 2.96Å; A122-M159 HydrophobicContact CB-CE 3.6Å; M159-Q163 VanDerWaalsContact CA-OE1 3.32Å; M159-Q163 HydrophobicContact CB-CB 4.11Å; M159-Q163 HydrophobicContact CG-CB 4.31Å; M159-L165 HydrophobicContact SD-CB 4.1Å
160R93.6Very high93.3Very high180 Ų18062.3 Ų62.368%0.67929%0.292SS*.  trans-103.5168.8167.9-80.2-168175.1-172.70.7110.9C114 G162 Q163C114-R160 WeakPolarHBondContact CB-O 3.48Å; R160-G162 PolarHBondContact O-N 2.93Å; R160-Q163 VanDerWaalsContact O-CB 3.32Å; R160-Q163 WeakPolarHBondContact O-CB 3.43Å; R160-Q163 WeakPolarHBondContact O-CG 3.49Å; R160-Q163 PolarHBondContact O-N 2.96Å
161K94.3Very high94.6Very high109 Ų10953.3 Ų53.347%0.47425%0.25SS..THydrogen-bonded Turntrans-44.1130.8174.6-170.1167.2178.6178.30112.4T115 D116 D117 Q163T115-K161 WeakPolarHBondContact O-CE 3.35Å; T115-K161 WeakPolarHBondContact O-CG 3.48Å; D116-K161 VanDerWaalsContact O-CB 3.27Å; D116-K161 WeakPolarHBondContact O-CB 3.36Å; D117-K161 HydrophobicContact CB-CD 4.41Å; D117-K161 WeakPolarHBondContact OD1-CD 3.4Å; D117-K161 WeakPolarHBondContact OD1-CE 3.29Å; D117-K161 IonicContact OD1-NZ 2.79Å; D117-K161 PolarHBondContact OD1-NZ 3.19Å; D117-K161 IonicContact OD2-NZ 2.82Å; D117-K161 PolarHBondContact OD2-NZ 2.95Å; K161-Q163 VanDerWaalsContact C-N 3.31Å
162G93.2Very high95.5Very high54 Ų5453.2 Ų53.256%0.55725%0.25SC*.THydrogen-bonded Turntrans88.5-15179.700000114.5C114 R160C114-G162 PolarHBondContact O-N 3.2Å; R160-G162 PolarHBondContact O-N 2.93Å
163Q95.6Very high95.8Very high44 Ų4446.7 Ų46.721%0.20622%0.219CC..  trans-79.9147176.4-60.3-174.5-50.100111.6T63 C114 M159 R160 K161T63-Q163 VanDerWaalsContact O-CG 3.32Å; T63-Q163 WeakPolarHBondContact O-CG 3.43Å; T63-Q163 PolarHBondContact O-NE2 3.11Å; T63-Q163 WeakPolarHBondContact OG1-CA 3.37Å; C114-Q163 PolarHBondContact N-O 3.1Å; M159-Q163 VanDerWaalsContact CA-OE1 3.32Å; M159-Q163 HydrophobicContact CB-CB 4.11Å; M159-Q163 HydrophobicContact CG-CB 4.31Å; R160-Q163 VanDerWaalsContact O-CB 3.32Å; R160-Q163 WeakPolarHBondContact O-CB 3.43Å; R160-Q163 WeakPolarHBondContact O-CG 3.49Å; R160-Q163 PolarHBondContact O-N 2.96Å; K161-Q163 VanDerWaalsContact C-N 3.31Å
164Q95.4Very high96Very high43 Ų4344.7 Ų44.720%0.20121%0.208CC..EExtended strand (participates in β ladder)trans-141.1141.1-177-177173.2-2.300110.1V61 T63 H112 K113V61-Q164 HydrophobicContact CG1-CB 4.21Å; V61-Q164 HydrophobicContact CG1-CG 4.16Å; T63-Q164 PolarHBondContact N-O 2.98Å; T63-Q164 PolarHBondContact OG1-N 2.96Å; T63-Q164 PolarHBondContact OG1-O 3.31Å; H112-Q164 WeakPolarHBondContact O-CA 3.21Å; K113-Q164 HydrophobicContact CB-CB 4.39Å; K113-Q164 HydrophobicContact CB-CG 4.1Å; K113-Q164 HydrophobicContact CG-CB 4.22Å; K113-Q164 HydrophobicContact CG-CG 4.34Å
165L96.7Very high96.1Very high0 Ų043.6 Ų43.60%020%0.201CC..EExtended strand (participates in β ladder)trans-127.4118170.9-173.861000109.1V61 N62 T64 I71 L110 H112 A122 I156 M159 L167V61-L165 CarbonylContact O-C 3.58Å; V61-L165 WeakPolarHBondContact O-CA 3.42Å; N62-L165 HydrophobicContact CB-CD1 4.18Å; T64-L165 HydrophobicContact CG2-CB 3.9Å; T64-L165 HydrophobicContact CG2-CD1 4.24Å; T64-L165 HydrophobicContact CG2-CG 4.47Å; I71-L165 HydrophobicContact CD1-CD1 3.65Å; I71-L165 HydrophobicContact CD1-CD2 4.29Å; I71-L165 HydrophobicContact CG2-CD1 4.43Å; I71-L165 HydrophobicContact CG2-CD2 4.3Å; L110-L165 HydrophobicContact CD2-CD2 3.84Å; L110-L165 HydrophobicContact CD2-CG 4.29Å; H112-L165 PolarHBondContact N-O 3.23Å; H112-L165 PolarHBondContact O-N 3Å; A122-L165 HydrophobicContact CB-CD2 4.45Å; I156-L165 HydrophobicContact CG2-CD2 4.46Å; M159-L165 HydrophobicContact SD-CB 4.1Å; L165-L167 HydrophobicContact CD1-CD2 3.92Å; L165-L167 HydrophobicContact CD2-CD2 3.95Å; L165-L167 HydrophobicContact CG-CD2 3.82Å
166K97.3Very high96.1Very high73 Ų7341.7 Ų41.732%0.31720%0.195SC..EExtended strand (participates in β ladder)trans-130.2117.2175.5-167-178.3-177.8-153.70109.7E60 V61 L110 N111E60-K166 HydrophobicContact CB-CB 4.39Å; E60-K166 HydrophobicContact CB-CD 4.28Å; E60-K166 HydrophobicContact CB-CG 4.31Å; E60-K166 PolarHBondContact N-O 2.8Å; E60-K166 WeakPolarHBondContact OE2-CD 3.28Å; E60-K166 WeakPolarHBondContact OE2-CE 3.34Å; E60-K166 IonicContact OE2-NZ 2.7Å; E60-K166 PolarHBondContact OE2-NZ 3.26Å; V61-K166 HydrophobicContact CB-CB 3.99Å; V61-K166 HydrophobicContact CG2-CB 4.34Å; V61-K166 PolarHBondContact N-O 3.46Å; V61-K166 VanDerWaalsContact N-O 3.13Å; V61-K166 PolarHBondContact O-N 3.47Å; L110-K166 CarbonylContact O-C 3.6Å; L110-K166 VanDerWaalsContact O-CA 3.31Å; L110-K166 WeakPolarHBondContact O-CA 3.39Å; N111-K166 HydrophobicContact CB-CG 4.23Å
167L97.1Very high96.2Very high1 Ų147.7 Ų47.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-141.7146.3-177.352.591.5000112.1V57 Q58 I59 I71 L110 L165 C169V57-L167 HydrophobicContact CG1-CB 4.42Å; Q58-L167 CarbonylContact O-C 3.56Å; Q58-L167 VanDerWaalsContact O-CA 3.31Å; Q58-L167 WeakPolarHBondContact O-CA 3.36Å; I59-L167 HydrophobicContact CG1-CB 4.45Å; I71-L167 HydrophobicContact CG2-CD2 3.86Å; L110-L167 HydrophobicContact CB-CD1 3.5Å; L110-L167 HydrophobicContact CB-CG 3.82Å; L110-L167 HydrophobicContact CD2-CD1 3.99Å; L110-L167 HydrophobicContact CD2-CD2 3.85Å; L110-L167 HydrophobicContact CD2-CG 3.93Å; L110-L167 HydrophobicContact CG-CD1 4.36Å; L110-L167 HydrophobicContact CG-CG 4.37Å; L110-L167 PolarHBondContact N-O 3.41Å; L110-L167 PolarHBondContact O-N 3.45Å; L165-L167 HydrophobicContact CD1-CD2 3.92Å; L165-L167 HydrophobicContact CD2-CD2 3.95Å; L165-L167 HydrophobicContact CG-CD2 3.82Å; L167-C169 WeakPolarHBondContact CD1-SG 3.38Å
168R97.8Very high96.2Very high81 Ų8151.9 Ų51.931%0.30624%0.24SC..EExtended strand (participates in β ladder)trans-111.9130.8169.7-66.7178.366.9-160.60.9108.1Q58 E60 E107 T109Q58-R168 HydrophobicContact CB-CB 4.33Å; Q58-R168 PolarHBondContact N-O 2.74Å; Q58-R168 PolarHBondContact O-N 3.48Å; E60-R168 WeakPolarHBondContact OE1-CD 3.43Å; E107-R168 IonicContact OE1-CZ 3.22Å; E107-R168 IonicContact OE1-NE 2.92Å; E107-R168 PolarHBondContact OE1-NE 2.99Å; E107-R168 IonicContact OE1-NH2 3.13Å; E107-R168 PolarHBondContact OE1-NH2 3.13Å; E107-R168 IonicContact OE2-NH2 2.69Å; T109-R168 HydrophobicContact CG2-CG 4.19Å
169C97.6Very high96.4Very high0 Ų049.5 Ų49.50%023%0.231CC..EExtended strand (participates in β ladder)trans-120.9142.2-177-66.40000109.9I54 W56 E107 L108 L167I54-C169 HydrophobicContact CD1-CB 4.06Å; I54-C169 HydrophobicContact CG1-CB 4.35Å; I54-C169 HydrophobicContact CG2-CB 3.75Å; W56-C169 CarbonylContact O-C 3.53Å; W56-C169 VanDerWaalsContact O-CA 3.27Å; W56-C169 WeakPolarHBondContact O-CA 3.49Å; E107-C169 CarbonylContact C-O 3.59Å; E107-C169 WeakPolarHBondContact CA-O 3.39Å; L108-C169 HydrophobicContact CB-CB 4.22Å; L108-C169 PolarHBondContact N-O 3.31Å; L108-C169 PolarHBondContact O-N 2.95Å; L167-C169 WeakPolarHBondContact CD1-SG 3.38Å
170F97.4Very high96.5Very high24 Ų2453 Ų5311%0.10526%0.261CS..EExtended strand (participates in β ladder)trans-117.2118.1169.4-60.6-87.3000109.2D55 W56 F100 V106 E107D55-F170 PolarHBondContact N-O 3.01Å; W56-F170 HydrophobicContact CB-CB 4.1Å; W56-F170 HydrophobicContact CB-CD2 4.25Å; W56-F170 PolarHBondContact N-O 3.03Å; W56-F170 PolarHBondContact O-N 3.17Å; F100-F170 HydrophobicContact CB-CD1 4.17Å; F100-F170 HydrophobicContact CB-CE1 4.3Å; F100-F170 HydrophobicContact CD1-CB 3.94Å; F100-F170 HydrophobicContact CD1-CD1 4.06Å; F100-F170 AromaticContact CD1-CG 3.96Å; F100-F170 HydrophobicContact CD1-CG 3.96Å; F100-F170 HydrophobicContact CD2-CD1 4.2Å; F100-F170 HydrophobicContact CD2-CD2 4.33Å; F100-F170 HydrophobicContact CD2-CE1 4.18Å; F100-F170 HydrophobicContact CD2-CE2 4.32Å; F100-F170 HydrophobicContact CD2-CG 4.27Å; F100-F170 HydrophobicContact CD2-CZ 4.24Å; F100-F170 HydrophobicContact CE1-CB 3.71Å; F100-F170 HydrophobicContact CE1-CD1 4.45Å; F100-F170 HydrophobicContact CE1-CD2 4.26Å; F100-F170 AromaticContact CE1-CG 3.9Å; F100-F170 HydrophobicContact CE1-CG 3.9Å; F100-F170 HydrophobicContact CE2-CD2 4.04Å; F100-F170 HydrophobicContact CE2-CE2 4.18Å; F100-F170 HydrophobicContact CE2-CG 4.29Å; F100-F170 AromaticContact CG-CD1 3.9Å; F100-F170 HydrophobicContact CG-CD1 3.9Å; F100-F170 HydrophobicContact CG-CE1 4.2Å; F100-F170 HydrophobicContact CG-CG 4.13Å; F100-F170 HydrophobicContact CZ-CB 4.28Å; F100-F170 HydrophobicContact CZ-CD2 4Å; F100-F170 HydrophobicContact CZ-CG 4.12Å; V106-F170 CarbonylContact O-C 3.57Å; V106-F170 WeakPolarHBondContact O-CA 3.35Å; E107-F170 HydrophobicContact CB-CD1 4.23Å; E107-F170 HydrophobicContact CB-CE1 4.09Å; E107-F170 HydrophobicContact CG-CD1 4.46Å; E107-F170 HydrophobicContact CG-CE1 4.02Å; E107-F170 HydrophobicContact CG-CZ 4.48Å
171A97.6Very high96.7Very high0 Ų046.4 Ų46.40%024%0.237CC..EExtended strand (participates in β ladder)trans-90.8136.1175.300000110.6I52 A53 I54 L80 M89 A105 V106 L108I52-A171 HydrophobicContact CG2-CB 3.65Å; A53-A171 CarbonylContact O-C 3.48Å; A53-A171 VanDerWaalsContact O-CA 3.24Å; A53-A171 WeakPolarHBondContact O-CA 3.27Å; I54-A171 HydrophobicContact CG1-CB 4.25Å; L80-A171 HydrophobicContact CD1-CB 3.53Å; M89-A171 WeakPolarHBondContact CE-O 3.34Å; A105-A171 CarbonylContact C-O 3.55Å; A105-A171 VanDerWaalsContact CA-O 3.26Å; A105-A171 WeakPolarHBondContact CA-O 3.41Å; V106-A171 HydrophobicContact CB-CB 4.5Å; V106-A171 PolarHBondContact N-O 2.88Å; V106-A171 PolarHBondContact O-N 3.45Å; L108-A171 HydrophobicContact CD1-CB 3.79Å
172R96.8Very high96.8Very high39 Ų3941.9 Ų41.915%0.14722%0.216CC..EExtended strand (participates in β ladder)trans-128.3152.2-175.5-68.3177.4172.9177.9-8.4110.6A53 D55 W56 T92 A105 W182A53-R172 PolarHBondContact N-O 3.36Å; A53-R172 VanDerWaalsContact N-O 3.17Å; A53-R172 PolarHBondContact O-N 2.86Å; D55-R172 HydrophobicContact CB-CB 4.22Å; D55-R172 HydrophobicContact CB-CG 4.24Å; D55-R172 WeakPolarHBondContact OD2-CD 3.47Å; D55-R172 IonicContact OD2-CZ 2.64Å; D55-R172 IonicContact OD2-NH1 3.94Å; D55-R172 PolarHBondContact OD2-NH1 2.76Å; D55-R172 VanDerWaalsContact OD2-NH1 3.13Å; W56-R172 VanDerWaalsContact CD1-NH1 3.28Å; W56-R172 VanDerWaalsContact NE1-NH1 3.18Å; T92-R172 WeakPolarHBondContact OG1-CD 3.48Å; A105-R172 HydrophobicContact CB-CG 4.5Å; R172-W182 PolarHBondContact O-NE1 2.76Å; R172-W182 VanDerWaalsContact O-NE1 3.07Å
173K97Very high97.1Very high26 Ų2641.6 Ų41.611%0.11320%0.202CC..EExtended strand (participates in β ladder)trans-70.2129.7170.4-177.5177.1179.2166.90109.9P50 T51 V86 M89 Y91P50-K173 HydrophobicContact CB-CG 4.31Å; T51-K173 WeakPolarHBondContact O-CA 3.44Å; V86-K173 HydrophobicContact CG2-CD 4.39Å; V86-K173 HydrophobicContact CG2-CG 4.26Å; V86-K173 WeakPolarHBondContact O-CD 3.15Å; V86-K173 VanDerWaalsContact O-CE 3.26Å; V86-K173 WeakPolarHBondContact O-CE 3.42Å; V86-K173 PolarHBondContact O-NZ 3.27Å; M89-K173 HydrophobicContact CB-CD 4.41Å; M89-K173 HydrophobicContact CG-CB 4.21Å; M89-K173 WeakPolarHBondContact O-CD 3.49Å; M89-K173 PolarHBondContact O-NZ 3.19Å; M89-K173 VanDerWaalsContact O-NZ 3.09Å; M89-K173 HydrophobicContact SD-CB 4.04Å; Y91-K173 HydrophobicContact CD1-CB 4.39Å; Y91-K173 HydrophobicContact CD1-CD 4.33Å; Y91-K173 HydrophobicContact CD1-CG 4.06Å; Y91-K173 HydrophobicContact CE1-CD 4.13Å; Y91-K173 HydrophobicContact CE1-CG 3.78Å; Y91-K173 HydrophobicContact CE2-CD 4.48Å
174G97Very high97.1Very high0 Ų039.5 Ų39.50%019%0.192CC..EExtended strand (participates in β ladder)trans-155.2-177176.500000110.9P50 T51P50-G174 CarbonylContact C-O 3.51Å; P50-G174 WeakPolarHBondContact CA-O 3.31Å; T51-G174 PolarHBondContact N-O 3.08Å; T51-G174 PolarHBondContact O-N 2.94Å
175F97Very high97.2Very high39 Ų3937.7 Ų37.717%0.17119%0.185CC..EExtended strand (participates in β ladder)trans-140.3155.1178.953.6-90.4000111.2A47 Y91 K177 E178 W182A47-F175 WeakPolarHBondContact O-CD2 3.32Å; Y91-F175 HydrophobicContact CE1-CD1 4.12Å; Y91-F175 HydrophobicContact CE1-CE1 4.41Å; F175-K177 HydrophobicContact CD2-CB 3.74Å; F175-K177 HydrophobicContact CE2-CB 3.77Å; F175-K177 HydrophobicContact CE2-CD 4.5Å; F175-K177 PolarHBondContact O-N 2.89Å; F175-E178 HydrophobicContact CD2-CG 4.32Å; F175-E178 HydrophobicContact CE1-CG 4.16Å; F175-E178 VanDerWaalsContact CE1-OE1 3.28Å; F175-E178 WeakPolarHBondContact CE1-OE1 3.3Å; F175-E178 HydrophobicContact CE2-CG 3.79Å; F175-E178 HydrophobicContact CZ-CG 3.68Å; F175-E178 WeakPolarHBondContact CZ-OE1 3.28Å; F175-E178 PolarHBondContact O-N 3.1Å; F175-W182 VanDerWaalsContact C-CB 3.47Å
176G96.5Very high97.2Very high16 Ų1640.7 Ų40.717%0.16521%0.209CC..THydrogen-bonded Turntrans-57.6-22.7-168.800000116.4A47 E178 H179 W182A47-G176 PolarHBondContact O-N 3.35Å; G176-E178 VanDerWaalsContact C-N 3.32Å; G176-H179 CarbonylContact O-C 3.43Å; G176-W182 PolarHBondContact N-O 2.88Å
177K97Very high97.1Very high129 Ų12940 Ų4056%0.56121%0.214SC*.THydrogen-bonded Turntrans-69.1-27.1175.1-174.4-175.2-60.5178.80113.1A47 E48 F175A47-K177 HydrophobicContact CB-CB 4.29Å; A47-K177 WeakPolarHBondContact O-CB 3.46Å; A47-K177 PolarHBondContact O-N 3.48Å; E48-K177 WeakPolarHBondContact OE1-CE 3.22Å; E48-K177 IonicContact OE1-NZ 3.47Å; E48-K177 PolarHBondContact OE1-NZ 3.46Å; F175-K177 HydrophobicContact CD2-CB 3.74Å; F175-K177 HydrophobicContact CE2-CB 3.77Å; F175-K177 HydrophobicContact CE2-CD 4.5Å; F175-K177 PolarHBondContact O-N 2.89Å
178E96.6Very high97.1Very high90 Ų9040.5 Ų40.542%0.42122%0.217SC..THydrogen-bonded Turntrans-76.9-46.1174.5-69.9177.2174.500111R93 F175 G176 W182R93-E178 IonicContact CZ-OE1 3.68Å; R93-E178 IonicContact NH1-OE1 2.95Å; R93-E178 PolarHBondContact NH1-OE1 3.46Å; F175-E178 HydrophobicContact CD2-CG 4.32Å; F175-E178 HydrophobicContact CE1-CG 4.16Å; F175-E178 VanDerWaalsContact CE1-OE1 3.28Å; F175-E178 WeakPolarHBondContact CE1-OE1 3.3Å; F175-E178 HydrophobicContact CE2-CG 3.79Å; F175-E178 HydrophobicContact CZ-CG 3.68Å; F175-E178 WeakPolarHBondContact CZ-OE1 3.28Å; F175-E178 PolarHBondContact O-N 3.1Å; G176-E178 VanDerWaalsContact C-N 3.32Å; E178-W182 HydrophobicContact CB-CE3 4.25Å; E178-W182 HydrophobicContact CB-CZ3 4.13Å
179H98Very high97.1Very high90 Ų9039.1 Ų39.142%0.41722%0.219SC..  trans-158.1146.1176.4-168.4-91.8000111G176 K181 W182G176-H179 CarbonylContact O-C 3.43Å; H179-K181 HydrophobicContact CB-CG 4.21Å; H179-K181 WeakPolarHBondContact ND1-CB 3.16Å; H179-K181 VanDerWaalsContact ND1-CG 3.29Å; H179-K181 WeakPolarHBondContact ND1-CG 3.33Å; H179-K181 PolarHBondContact ND1-N 2.97Å; H179-K181 VanDerWaalsContact ND1-N 3.19Å; H179-K181 PolarHBondContact O-N 3.16Å; H179-W182 HydrophobicContact CB-CE3 3.62Å; H179-W182 HydrophobicContact CB-CZ3 3.59Å; H179-W182 PolarHBondContact O-N 3.4Å; H179-W182 VanDerWaalsContact O-N 3.08Å
180A97.2Very high97Very high76 Ų7641.7 Ų41.763%0.62823%0.231SC*.G310 helixtrans-60.1-21.8-17700000114.3W182 N183A180-W182 PolarHBondContact O-N 3.14Å; A180-N183 VanDerWaalsContact O-CB 3.23Å; A180-N183 WeakPolarHBondContact O-CB 3.48Å; A180-N183 PolarHBondContact O-N 3.01Å
181K97.4Very high97Very high40 Ų4043.3 Ų43.317%0.17424%0.238CC..G310 helixtrans-61.8-23.317674.7-172.7175.6178.90114A53 I54 D55 G76 L77 H179A53-K181 HydrophobicContact CB-CB 4.46Å; A53-K181 HydrophobicContact CB-CD 4.34Å; A53-K181 HydrophobicContact CB-CG 4Å; I54-K181 PolarHBondContact O-NZ 2.98Å; D55-K181 IonicContact OD1-NZ 3.75Å; D55-K181 PolarHBondContact OD1-NZ 2.8Å; G76-K181 WeakPolarHBondContact O-CB 3.41Å; L77-K181 HydrophobicContact CD2-CB 4Å; H179-K181 HydrophobicContact CB-CG 4.21Å; H179-K181 WeakPolarHBondContact ND1-CB 3.16Å; H179-K181 VanDerWaalsContact ND1-CG 3.29Å; H179-K181 WeakPolarHBondContact ND1-CG 3.33Å; H179-K181 PolarHBondContact ND1-N 2.97Å; H179-K181 VanDerWaalsContact ND1-N 3.19Å; H179-K181 PolarHBondContact O-N 3.16Å
182W97.7Very high97Very high14 Ų1446.3 Ų46.35%0.05325%0.25CS..G310 helixtrans-94.613.2176.1-71.2-71.1000113T51 A53 D55 R172 F175 G176 E178 H179 A180 P184T51-W182 VanDerWaalsContact OG1-C 3.31Å; T51-W182 WeakPolarHBondContact OG1-CA 3.33Å; T51-W182 WeakPolarHBondContact OG1-CB 3.48Å; T51-W182 PolarHBondContact OG1-O 3.32Å; A53-W182 HydrophobicContact CB-CG 4.21Å; D55-W182 HydrophobicContact CB-CZ2 4.24Å; D55-W182 WeakPolarHBondContact OD1-CH2 3.49Å; R172-W182 PolarHBondContact O-NE1 2.76Å; R172-W182 VanDerWaalsContact O-NE1 3.07Å; F175-W182 VanDerWaalsContact C-CB 3.47Å; G176-W182 PolarHBondContact N-O 2.88Å; E178-W182 HydrophobicContact CB-CE3 4.25Å; E178-W182 HydrophobicContact CB-CZ3 4.13Å; H179-W182 HydrophobicContact CB-CE3 3.62Å; H179-W182 HydrophobicContact CB-CZ3 3.59Å; H179-W182 PolarHBondContact O-N 3.4Å; H179-W182 VanDerWaalsContact O-N 3.08Å; A180-W182 PolarHBondContact O-N 3.14Å; W182-P184 VanDerWaalsContact O-CD 3.27Å; W182-P184 WeakPolarHBondContact O-CD 3.32Å
183N97.5Very high96.9Very high48 Ų4846 Ų4626%0.25725%0.252SS..  trans-73.3116.2172.4-178.36.5000109.9I46 A180 T185I46-N183 PolarHBondContact O-OD1 3.36Å; A180-N183 VanDerWaalsContact O-CB 3.23Å; A180-N183 WeakPolarHBondContact O-CB 3.48Å; A180-N183 PolarHBondContact O-N 3.01Å; N183-T185 VanDerWaalsContact CG-O 3.3Å; N183-T185 PolarHBondContact ND2-O 3.4Å; N183-T185 PolarHBondContact O-N 3.1Å; N183-T185 PolarHBondContact OD1-N 3.33Å; N183-T185 PolarHBondContact OD1-O 3.45Å; N183-T185 PolarHBondContact OD1-OG1 2.88Å
184P97Very high96.9Very high0 Ų046 Ų460%026%0.255CS..  trans-76.3-12.217825.4-25.9000113.7F45 V49 T51 W182 S243 L246 I251F45-P184 WeakPolarHBondContact O-CG 3.38Å; V49-P184 HydrophobicContact CB-CG 3.77Å; V49-P184 HydrophobicContact CG1-CB 4.43Å; V49-P184 HydrophobicContact CG1-CG 3.82Å; T51-P184 HydrophobicContact CG2-CB 3.49Å; T51-P184 VanDerWaalsContact CG2-CB 3.49Å; T51-P184 HydrophobicContact CG2-CG 4.06Å; W182-P184 VanDerWaalsContact O-CD 3.27Å; W182-P184 WeakPolarHBondContact O-CD 3.32Å; P184-S243 PolarHBondContact O-N 2.99Å; P184-S243 PolarHBondContact O-OG 3.07Å; P184-S243 VanDerWaalsContact O-OG 3.08Å; P184-L246 HydrophobicContact CB-CD1 4.07Å; P184-I251 HydrophobicContact CB-CD1 3.88Å; P184-I251 HydrophobicContact CB-CG1 3.99Å; P184-I251 HydrophobicContact CG-CG2 4.3Å; P184-I251 VanDerWaalsContact O-CD1 3.3Å; P184-I251 WeakPolarHBondContact O-CD1 3.43Å
185T97.3Very high96.8Very high6 Ų646.9 Ų46.94%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-105.6137.4-173.661.70000111.3F45 N183 V188 V240 E241 I251F45-T185 HydrophobicContact CB-CG2 4.48Å; N183-T185 VanDerWaalsContact CG-O 3.3Å; N183-T185 PolarHBondContact ND2-O 3.4Å; N183-T185 PolarHBondContact O-N 3.1Å; N183-T185 PolarHBondContact OD1-N 3.33Å; N183-T185 PolarHBondContact OD1-O 3.45Å; N183-T185 PolarHBondContact OD1-OG1 2.88Å; T185-V188 HydrophobicContact CG2-CG2 3.78Å; T185-V240 HydrophobicContact CG2-CG1 3.89Å; T185-E241 CarbonylContact C-O 3.48Å; T185-E241 VanDerWaalsContact CA-O 3.22Å; T185-E241 WeakPolarHBondContact CA-O 3.48Å; T185-E241 WeakPolarHBondContact CB-O 3.5Å; T185-I251 HydrophobicContact CG2-CD1 4.16Å; T185-I251 HydrophobicContact CG2-CG2 3.88Å
186A96.4Very high96.7Very high63 Ų6345.3 Ų45.352%0.52125%0.252SS..EExtended strand (participates in β ladder)trans-74.2-45.3163.400000109.8E241A186-E241 HydrophobicContact CB-CB 4.42Å; A186-E241 HydrophobicContact CB-CG 4.09Å; A186-E241 PolarHBondContact N-O 2.78Å
187S96.2Very high96.6Very high59 Ų5945.5 Ų45.541%0.41325%0.253SS..EExtended strand (participates in β ladder)trans-151.8150.6178.4-172.90000111.3E241S187-E241 PolarHBondContact N-O 3.44Å; S187-E241 PolarHBondContact O-N 3.36Å
188V97.3Very high96.5Very high11 Ų1140.5 Ų40.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-126.398.5167.5-173.90000108.7R42 F45 I46 T185 G239 V240R42-V188 HydrophobicContact CB-CG1 4.44Å; R42-V188 HydrophobicContact CG-CB 4.3Å; R42-V188 HydrophobicContact CG-CG1 3.8Å; F45-V188 HydrophobicContact CB-CG2 4.24Å; F45-V188 HydrophobicContact CD2-CG1 4.43Å; I46-V188 HydrophobicContact CD1-CB 4.34Å; I46-V188 HydrophobicContact CD1-CG2 4.31Å; I46-V188 HydrophobicContact CG1-CB 4.29Å; I46-V188 HydrophobicContact CG1-CG2 3.72Å; T185-V188 HydrophobicContact CG2-CG2 3.78Å; V188-G239 CarbonylContact C-O 3.54Å; V188-G239 VanDerWaalsContact CA-O 3.24Å; V188-G239 WeakPolarHBondContact CA-O 3.42Å; V188-V240 HydrophobicContact CG1-CG2 4.19Å
189S96.7Very high96.3Very high51 Ų5138.9 Ų38.936%0.35722%0.222SC..EExtended strand (participates in β ladder)trans-71.8142.7173.4690000110M238 G239S189-M238 VanDerWaalsContact O-CA 3.32Å; S189-M238 WeakPolarHBondContact O-CA 3.43Å; S189-G239 PolarHBondContact N-O 3.03Å; S189-G239 PolarHBondContact O-N 3.16Å; S189-G239 WeakPolarHBondContact OG-CA 3.35Å; S189-G239 PolarHBondContact OG-N 3.37Å; S189-G239 PolarHBondContact OG-O 3.4Å
190F96.5Very high96.1Very high54 Ų5439.6 Ų39.624%0.23723%0.225CC..EExtended strand (participates in β ladder)trans-152121-174.9177.4-89.5000108.9L35 A38 R42 Y192 F236 W237 M238L35-F190 HydrophobicContact CD1-CE1 3.92Å; L35-F190 HydrophobicContact CD1-CZ 3.7Å; A38-F190 HydrophobicContact CB-CE2 3.66Å; A38-F190 HydrophobicContact CB-CZ 4.07Å; R42-F190 HydrophobicContact CB-CD2 4.44Å; F190-Y192 AromaticContact CE1-CD1 3.78Å; F190-Y192 HydrophobicContact CE1-CD1 3.78Å; F190-Y192 HydrophobicContact CE1-CE1 4.26Å; F190-Y192 HydrophobicContact CZ-CD1 4.35Å; F190-F236 HydrophobicContact CE1-CD1 4.45Å; F190-F236 HydrophobicContact CE2-CB 4.46Å; F190-F236 AromaticContact CE2-CD1 3.94Å; F190-F236 HydrophobicContact CE2-CD1 3.94Å; F190-F236 AromaticContact CZ-CD1 3.55Å; F190-F236 HydrophobicContact CZ-CD1 3.55Å; F190-F236 HydrophobicContact CZ-CE1 4.08Å; F190-W237 WeakPolarHBondContact CA-O 3.18Å; F190-M238 HydrophobicContact CD2-CE 4.13Å; F190-M238 HydrophobicContact CD2-CG 3.96Å; F190-M238 HydrophobicContact CD2-SD 4.24Å; F190-M238 HydrophobicContact CE2-SD 4.46Å
191E97.1Very high96Very high58 Ų5839 Ų3927%0.27121%0.213SC..EExtended strand (participates in β ladder)trans-142.7145.5-177.9-169.5173.8167.300110P194 S212 Y214 F236 W237E191-P194 WeakPolarHBondContact OE1-CB 3.27Å; E191-S212 WeakPolarHBondContact OE1-CB 3.48Å; E191-S212 PolarHBondContact OE1-OG 3.44Å; E191-S212 PolarHBondContact OE2-OG 3.47Å; E191-S212 VanDerWaalsContact OE2-OG 3.07Å; E191-Y214 VanDerWaalsContact OE2-CD2 3.32Å; E191-Y214 WeakPolarHBondContact OE2-CD2 3.3Å; E191-F236 CarbonylContact O-C 3.58Å; E191-F236 WeakPolarHBondContact O-CA 3.14Å; E191-W237 PolarHBondContact N-O 3.42Å; E191-W237 PolarHBondContact O-N 3.44Å
192Y96.6Very high95.7Very high63 Ų6343.4 Ų43.425%0.24724%0.239CC..EExtended strand (participates in β ladder)trans-146.5155.3169.670.8-85.5000108.1L35 F190 H200 P233 K235 F236L35-Y192 HydrophobicContact CD1-CD1 4.06Å; L35-Y192 HydrophobicContact CD1-CE1 3.91Å; F190-Y192 AromaticContact CE1-CD1 3.78Å; F190-Y192 HydrophobicContact CE1-CD1 3.78Å; F190-Y192 HydrophobicContact CE1-CE1 4.26Å; F190-Y192 HydrophobicContact CZ-CD1 4.35Å; Y192-H200 AromaticContact CE2-CE1 3.85Å; Y192-H200 AromaticContact CE2-ND1 3.29Å; Y192-H200 VanDerWaalsContact CE2-ND1 3.29Å; Y192-H200 WeakPolarHBondContact CE2-ND1 3.32Å; Y192-H200 AromaticContact CZ-ND1 3.54Å; Y192-H200 PolarHBondContact OH-ND1 3.05Å; Y192-P233 HydrophobicContact CD2-CB 3.5Å; Y192-P233 HydrophobicContact CD2-CG 4.38Å; Y192-P233 HydrophobicContact CE2-CB 3.95Å; Y192-P233 HydrophobicContact CE2-CG 4.39Å; Y192-P233 HydrophobicContact CG-CB 4.21Å; Y192-K235 WeakPolarHBondContact CB-O 3.31Å; Y192-F236 HydrophobicContact CD1-CD1 4.41Å; Y192-F236 HydrophobicContact CD1-CE1 4.27Å; Y192-F236 HydrophobicContact CG-CD1 4.19Å; Y192-F236 AromaticContact CG-CE1 3.96Å; Y192-F236 HydrophobicContact CG-CE1 3.96Å
193D95.5Very high95.4Very high34 Ų3445.9 Ų45.918%0.18225%0.249CC..  trans49.258.7-179-170.530.8000113.6D195 N196 A197 L198D193-D195 PolarHBondContact O-N 3.43Å; D193-D195 VanDerWaalsContact O-N 3.09Å; D193-N196 PolarHBondContact O-N 2.88Å; D193-N196 PolarHBondContact OD1-N 2.68Å; D193-N196 VanDerWaalsContact OD2-C 3.23Å; D193-N196 VanDerWaalsContact OD2-CA 3.31Å; D193-N196 WeakPolarHBondContact OD2-CA 3.23Å; D193-A197 VanDerWaalsContact CG-N 3.27Å; D193-A197 WeakPolarHBondContact OD1-CB 3.33Å; D193-A197 PolarHBondContact OD1-N 3.46Å; D193-A197 PolarHBondContact OD2-N 3.46Å; D193-L198 HydrophobicContact CB-CD1 4.24Å; D193-L198 VanDerWaalsContact OD2-CB 3.32Å; D193-L198 WeakPolarHBondContact OD2-CB 3.43Å; D193-L198 PolarHBondContact OD2-N 2.97Å
194P95.6Very high95.2Very high26 Ų2649.2 Ų49.217%0.16927%0.273CS..THydrogen-bonded Turntrans-59.7-24.8-175.525.3-36.4000113.2E191 Y214 W237E191-P194 WeakPolarHBondContact OE1-CB 3.27Å; P194-Y214 WeakPolarHBondContact CG-O 3.49Å; P194-W237 HydrophobicContact CG-CH2 3.84Å; P194-W237 HydrophobicContact CG-CZ3 3.96Å
195D95.1Very high94.9Very high17 Ų1754.1 Ų54.19%0.09129%0.294CS..THydrogen-bonded Turntrans-94.25.2-178.6-65.7-36.4000112.1D193 A197 S215 T216 L217 S224D193-D195 PolarHBondContact O-N 3.43Å; D193-D195 VanDerWaalsContact O-N 3.09Å; D195-A197 VanDerWaalsContact C-N 3.27Å; D195-A197 PolarHBondContact O-N 3.23Å; D195-S215 VanDerWaalsContact OD1-CA 3.28Å; D195-S215 WeakPolarHBondContact OD1-CA 3.47Å; D195-S215 WeakPolarHBondContact OD1-CB 3.49Å; D195-S215 PolarHBondContact OD1-OG 3.09Å; D195-T216 PolarHBondContact OD1-N 3.36Å; D195-T216 PolarHBondContact OD2-N 3.08Å; D195-T216 PolarHBondContact OD2-OG1 3.37Å; D195-L217 HydrophobicContact CB-CD1 3.77Å; D195-L217 HydrophobicContact CB-CG 3.93Å; D195-L217 VanDerWaalsContact CG-CG 3.5Å; D195-L217 WeakPolarHBondContact OD1-CD1 3.43Å; D195-L217 WeakPolarHBondContact OD1-CG 3.4Å; D195-S224 WeakPolarHBondContact O-CB 3.38Å; D195-S224 PolarHBondContact O-N 3.22Å
196N95.1Very high94.7Very high6 Ų655.6 Ų55.63%0.03230%0.304CS..  trans51.237.8-179.8-167.237.5000114D193 L198 R199 T201 Y203 E223D193-N196 PolarHBondContact O-N 2.88Å; D193-N196 PolarHBondContact OD1-N 2.68Å; D193-N196 VanDerWaalsContact OD2-C 3.23Å; D193-N196 VanDerWaalsContact OD2-CA 3.31Å; D193-N196 WeakPolarHBondContact OD2-CA 3.23Å; N196-L198 VanDerWaalsContact C-N 3.27Å; N196-L198 PolarHBondContact O-N 3.02Å; N196-R199 WeakPolarHBondContact ND2-CD 3.24Å; N196-R199 WeakPolarHBondContact O-CD 3.43Å; N196-R199 PolarHBondContact O-N 3.34Å; N196-R199 PolarHBondContact O-NH1 2.9Å; N196-R199 WeakPolarHBondContact OD1-CA 3.47Å; N196-T201 PolarHBondContact ND2-O 3.44Å; N196-T201 WeakPolarHBondContact OD1-CG2 2.99Å; N196-T201 PolarHBondContact OD1-O 3.44Å; N196-Y203 HydrophobicContact CB-CE2 3.85Å; N196-Y203 WeakPolarHBondContact ND2-CE2 3.13Å; N196-E223 HydrophobicContact CB-CG 4.23Å; N196-E223 PolarHBondContact ND2-OE1 2.93Å
197A94.3Very high94.3Very high21 Ų2159.8 Ų59.817%0.17431%0.313CS..THydrogen-bonded Turntrans-63.7-31.3179.800000113.1D193 D195 V227 D228D193-A197 VanDerWaalsContact CG-N 3.27Å; D193-A197 WeakPolarHBondContact OD1-CB 3.33Å; D193-A197 PolarHBondContact OD1-N 3.46Å; D193-A197 PolarHBondContact OD2-N 3.46Å; D195-A197 VanDerWaalsContact C-N 3.27Å; D195-A197 PolarHBondContact O-N 3.23Å; A197-V227 WeakPolarHBondContact O-CA 3.32Å; A197-D228 PolarHBondContact O-N 3.48Å
198L94.8Very high94.1Very high23 Ų2363.1 Ų63.112%0.1232%0.322CS..THydrogen-bonded Turntrans-82.9-12.4-179.7-59.9173.8000113.3D193 N196 H200 D228 P233D193-L198 HydrophobicContact CB-CD1 4.24Å; D193-L198 VanDerWaalsContact OD2-CB 3.32Å; D193-L198 WeakPolarHBondContact OD2-CB 3.43Å; D193-L198 PolarHBondContact OD2-N 2.97Å; N196-L198 VanDerWaalsContact C-N 3.27Å; N196-L198 PolarHBondContact O-N 3.02Å; L198-H200 VanDerWaalsContact C-N 3.28Å; L198-H200 PolarHBondContact O-N 3.44Å; L198-D228 HydrophobicContact CD2-CB 4.17Å; L198-P233 HydrophobicContact CD1-CB 3.96Å; L198-P233 HydrophobicContact CD1-CG 4.42Å
199R93.8Very high93.8Very high57 Ų5768.6 Ų68.622%0.21534%0.342CS..  trans53.742.9-176-60.9-60.3-165.3-81.81.7113N196 T201 E223 S224 V227N196-R199 WeakPolarHBondContact ND2-CD 3.24Å; N196-R199 WeakPolarHBondContact O-CD 3.43Å; N196-R199 PolarHBondContact O-N 3.34Å; N196-R199 PolarHBondContact O-NH1 2.9Å; N196-R199 WeakPolarHBondContact OD1-CA 3.47Å; R199-T201 PolarHBondContact O-N 3.08Å; R199-E223 IonicContact CZ-OE1 3.53Å; R199-E223 IonicContact CZ-OE2 3.25Å; R199-E223 VanDerWaalsContact CZ-OE2 3.25Å; R199-E223 IonicContact NE-OE1 3.21Å; R199-E223 PolarHBondContact NE-OE1 2.99Å; R199-E223 IonicContact NE-OE2 3.33Å; R199-E223 PolarHBondContact NE-OE2 2.49Å; R199-E223 VanDerWaalsContact NH2-CG 3.33Å; R199-E223 IonicContact NH2-OE1 3.88Å; R199-E223 IonicContact NH2-OE2 2.79Å; R199-E223 PolarHBondContact NH2-OE2 2.76Å; R199-S224 PolarHBondContact NH1-O 2.84Å; R199-S224 VanDerWaalsContact NH1-O 3.1Å; R199-S224 PolarHBondContact NH2-O 2.83Å; R199-V227 HydrophobicContact CB-CG1 4.46Å; R199-V227 HydrophobicContact CG-CB 4.39Å; R199-V227 HydrophobicContact CG-CG1 3.85Å; R199-V227 HydrophobicContact CG-CG2 3.77Å
200H93.7Very high93.6Very high105 Ų10571.4 Ų71.449%0.48636%0.359SS..SBendtrans-71.4-17.5169.5-72.9-178.4000112.4Y192 L198Y192-H200 AromaticContact CE2-CE1 3.85Å; Y192-H200 AromaticContact CE2-ND1 3.29Å; Y192-H200 VanDerWaalsContact CE2-ND1 3.29Å; Y192-H200 WeakPolarHBondContact CE2-ND1 3.32Å; Y192-H200 AromaticContact CZ-ND1 3.54Å; Y192-H200 PolarHBondContact OH-ND1 3.05Å; L198-H200 VanDerWaalsContact C-N 3.28Å; L198-H200 PolarHBondContact O-N 3.44Å
201T93.6Very high93.4Very high62 Ų6272.3 Ų72.338%0.3836%0.362SS..SBendtrans-124.2141.4166.7-176.30000108.9N196 R199 Y203N196-T201 PolarHBondContact ND2-O 3.44Å; N196-T201 WeakPolarHBondContact OD1-CG2 2.99Å; N196-T201 PolarHBondContact OD1-O 3.44Å; R199-T201 PolarHBondContact O-N 3.08Å; T201-Y203 HydrophobicContact CG2-CD1 4.47Å; T201-Y203 HydrophobicContact CG2-CE1 3.76Å; T201-Y203 HydrophobicContact CG2-CE2 4.01Å; T201-Y203 VanDerWaalsContact CG2-CZ 3.49Å
202D92.1Very high93.3Very high134 Ų13471 Ų7172%0.71736%0.36SS*.  trans-104.4110.8175.9-71-39.8000109.2
203Y91.1Very high93.2Very high66 Ų6674.2 Ų74.226%0.25938%0.377SS..  trans-82.8124.3176.7-61.8-53.8000110.3N196 T201 K205 W209 E223N196-Y203 HydrophobicContact CB-CE2 3.85Å; N196-Y203 WeakPolarHBondContact ND2-CE2 3.13Å; T201-Y203 HydrophobicContact CG2-CD1 4.47Å; T201-Y203 HydrophobicContact CG2-CE1 3.76Å; T201-Y203 HydrophobicContact CG2-CE2 4.01Å; T201-Y203 VanDerWaalsContact CG2-CZ 3.49Å; Y203-K205 PolarHBondContact O-N 3.5Å; Y203-W209 AromaticContact CD1-CD1 3.81Å; Y203-W209 HydrophobicContact CD1-CD2 4.04Å; Y203-W209 AromaticContact CD1-CE2 3.72Å; Y203-W209 HydrophobicContact CD1-CG 4.12Å; Y203-W209 HydrophobicContact CD1-CZ2 4.26Å; Y203-W209 AromaticContact CD1-NE1 3.57Å; Y203-W209 AromaticContact CE1-CD2 3.97Å; Y203-W209 HydrophobicContact CE1-CD2 3.97Å; Y203-W209 HydrophobicContact CE1-CE3 4.37Å; Y203-W209 HydrophobicContact CE1-CG 4.23Å; Y203-W209 HydrophobicContact CE1-CZ2 4.46Å; Y203-E223 WeakPolarHBondContact CD2-OE1 3.29Å
204P92.6Very high93.1Very high117 Ų11774 Ų7476%0.7637%0.374SS*.SBendtrans-65.2-33.8175.125.1-32.7000111.6
205K92.4Very high93.1Very high103 Ų10374.1 Ų74.145%0.44838%0.375SS..  trans-142.990.9175.8-66.9-179.7-177.4-177.80110Y203 E207 E208Y203-K205 PolarHBondContact O-N 3.5Å; K205-E207 PolarHBondContact O-N 3.46Å; K205-E207 VanDerWaalsContact O-N 3.15Å; K205-E208 HydrophobicContact CB-CG 4.07Å; K205-E208 VanDerWaalsContact CD-CD 3.41Å; K205-E208 HydrophobicContact CD-CG 4.22Å; K205-E208 WeakPolarHBondContact CD-OE1 3.24Å; K205-E208 IonicContact NZ-OE1 2.91Å; K205-E208 PolarHBondContact NZ-OE1 2.9Å; K205-E208 PolarHBondContact O-N 3.04Å
206P91.2Very high92.9Very high38 Ų3878.9 Ų78.925%0.24741%0.405CS..G310 helixtrans-55.5-32.8-177.2-2632.1000114.1E208 W209 K222 E223P206-E208 PolarHBondContact O-N 2.97Å; P206-W209 PolarHBondContact O-N 3.17Å; P206-K222 HydrophobicContact CB-CB 4.46Å; P206-K222 WeakPolarHBondContact O-CB 3.49Å; P206-K222 WeakPolarHBondContact O-CG 3.43Å; P206-E223 HydrophobicContact CB-CB 3.9Å; P206-E223 HydrophobicContact CG-CB 4.42Å
207E89.4Confident92.7Very high151 Ų15179.9 Ų79.971%0.70641%0.411SS*.G310 helixtrans-62.2-25.5-17959.7-165.1-174.500114.8K205 W209K205-E207 PolarHBondContact O-N 3.46Å; K205-E207 VanDerWaalsContact O-N 3.15Å; E207-W209 VanDerWaalsContact C-N 3.3Å; E207-W209 PolarHBondContact O-N 3.37Å
208E91.2Very high92.4Very high128 Ų12883.5 Ų83.560%0.59843%0.432SS*.G310 helixtrans-78.5-13179.3-66.2-178.8176.300112.6K205 P206K205-E208 HydrophobicContact CB-CG 4.07Å; K205-E208 VanDerWaalsContact CD-CD 3.41Å; K205-E208 HydrophobicContact CD-CG 4.22Å; K205-E208 WeakPolarHBondContact CD-OE1 3.24Å; K205-E208 IonicContact NZ-OE1 2.91Å; K205-E208 PolarHBondContact NZ-OE1 2.9Å; K205-E208 PolarHBondContact O-N 3.04Å; P206-E208 PolarHBondContact O-N 2.97Å
209W92Very high91.8Very high126 Ų12685.4 Ų85.448%0.47746%0.457SS..SBendtrans-90.5138.6-175.4-67.382.9000112.7Y203 P206 E207 K222Y203-W209 AromaticContact CD1-CD1 3.81Å; Y203-W209 HydrophobicContact CD1-CD2 4.04Å; Y203-W209 AromaticContact CD1-CE2 3.72Å; Y203-W209 HydrophobicContact CD1-CG 4.12Å; Y203-W209 HydrophobicContact CD1-CZ2 4.26Å; Y203-W209 AromaticContact CD1-NE1 3.57Å; Y203-W209 AromaticContact CE1-CD2 3.97Å; Y203-W209 HydrophobicContact CE1-CD2 3.97Å; Y203-W209 HydrophobicContact CE1-CE3 4.37Å; Y203-W209 HydrophobicContact CE1-CG 4.23Å; Y203-W209 HydrophobicContact CE1-CZ2 4.46Å; P206-W209 PolarHBondContact O-N 3.17Å; E207-W209 VanDerWaalsContact C-N 3.3Å; E207-W209 PolarHBondContact O-N 3.37Å; W209-K222 WeakPolarHBondContact O-CD 3.18Å; W209-K222 WeakPolarHBondContact O-CE 3Å; W209-K222 PolarHBondContact O-NZ 2.96Å
210P92.9Very high91.4Very high110 Ų11090.1 Ų90.171%0.71449%0.487SS*.PPolyproline II helixtrans-68.7155.2171.830.1-33.9000110.8
211K92.2Very high91Very high73 Ų7389 Ų8932%0.31748%0.484SS..PPolyproline II helixtrans-82142.9174.1-69.8-172.8172.8-167.30109.8L217 G219 L221 K222K211-L217 PolarHBondContact NZ-O 3.37Å; K211-G219 PolarHBondContact NZ-O 3.2Å; K211-L221 WeakPolarHBondContact CE-O 3.48Å; K211-L221 PolarHBondContact NZ-O 2.92Å; K211-K222 HydrophobicContact CD-CD 4.47Å; K211-K222 HydrophobicContact CG-CD 3.81Å
212S93.8Very high90.7Very high32 Ų3289.5 Ų89.522%0.22448%0.481CS..PPolyproline II helixtrans-65.1156.8167.6174.70000111.7E191 Y214 S215E191-S212 WeakPolarHBondContact OE1-CB 3.48Å; E191-S212 PolarHBondContact OE1-OG 3.44Å; E191-S212 PolarHBondContact OE2-OG 3.47Å; E191-S212 VanDerWaalsContact OE2-OG 3.07Å; S212-Y214 PolarHBondContact O-N 3.47Å; S212-Y214 PolarHBondContact OG-N 3.13Å; S212-Y214 VanDerWaalsContact OG-N 3.15Å; S212-S215 WeakPolarHBondContact O-CB 3.44Å; S212-S215 PolarHBondContact O-N 3.08Å
213E94.1Very high90.6Very high130 Ų13084.7 Ų84.761%0.60745%0.454SS*.THydrogen-bonded Turntrans-61.6-20169.465.2177.6179.600112.7K27K27-E213 IonicContact NZ-OE1 3.05Å; K27-E213 PolarHBondContact NZ-OE1 3.45Å; K27-E213 IonicContact NZ-OE2 3.43Å; K27-E213 PolarHBondContact NZ-OE2 2.75Å
214Y95Very high90.6Very high29 Ų2982.1 Ų82.111%0.11445%0.446CS..THydrogen-bonded Turntrans-100.40.5179.8-52.2-60.6000114.3L19 E191 P194 S212 W237L19-Y214 HydrophobicContact CD1-CE1 3.83Å; E191-Y214 VanDerWaalsContact OE2-CD2 3.32Å; E191-Y214 WeakPolarHBondContact OE2-CD2 3.3Å; P194-Y214 WeakPolarHBondContact CG-O 3.49Å; S212-Y214 PolarHBondContact O-N 3.47Å; S212-Y214 PolarHBondContact OG-N 3.13Å; S212-Y214 VanDerWaalsContact OG-N 3.15Å; Y214-W237 HydrophobicContact CD1-CB 4.33Å; Y214-W237 AromaticContact CD1-CD1 3.11Å; Y214-W237 HydrophobicContact CD1-CD2 4.27Å; Y214-W237 AromaticContact CD1-CG 3.69Å; Y214-W237 HydrophobicContact CD1-CG 3.69Å; Y214-W237 AromaticContact CD1-NE1 3.34Å; Y214-W237 VanDerWaalsContact CD1-NE1 3.34Å; Y214-W237 HydrophobicContact CD2-CB 3.73Å; Y214-W237 HydrophobicContact CD2-CD2 4.16Å; Y214-W237 AromaticContact CD2-CG 3.7Å; Y214-W237 HydrophobicContact CD2-CG 3.7Å; Y214-W237 HydrophobicContact CE1-CB 4.12Å; Y214-W237 AromaticContact CE1-CD1 3.29Å; Y214-W237 AromaticContact CE1-CG 3.88Å; Y214-W237 HydrophobicContact CE1-CG 3.88Å; Y214-W237 AromaticContact CE1-NE1 3.98Å; Y214-W237 HydrophobicContact CE2-CB 3.53Å; Y214-W237 AromaticContact CE2-CG 3.93Å; Y214-W237 HydrophobicContact CE2-CG 3.93Å; Y214-W237 HydrophobicContact CG-CB 4.13Å; Y214-W237 AromaticContact CG-CD1 3.49Å; Y214-W237 VanDerWaalsContact CG-CD1 3.49Å; Y214-W237 AromaticContact CG-CD2 3.87Å; Y214-W237 HydrophobicContact CG-CD2 3.87Å; Y214-W237 AromaticContact CG-CE2 3.9Å; Y214-W237 AromaticContact CG-CG 3.58Å; Y214-W237 HydrophobicContact CG-CG 3.58Å; Y214-W237 AromaticContact CG-NE1 3.66Å; Y214-W237 AromaticContact CZ-CD1 3.83Å; Y214-W237 AromaticContact CZ-CG 3.99Å
215S94.1Very high90.3Very high28 Ų2881 Ų8120%0.19644%0.439CS..  trans-63.8134.2178.2177.60000111.1D195 S212D195-S215 VanDerWaalsContact OD1-CA 3.28Å; D195-S215 WeakPolarHBondContact OD1-CA 3.47Å; D195-S215 WeakPolarHBondContact OD1-CB 3.49Å; D195-S215 PolarHBondContact OD1-OG 3.09Å; S212-S215 WeakPolarHBondContact O-CB 3.44Å; S212-S215 PolarHBondContact O-N 3.08Å
216T91.6Very high90.1Very high118 Ų11880.9 Ų80.972%0.72445%0.447SS*.  trans-105.2-2.117860.60000113.1D195D195-T216 PolarHBondContact OD1-N 3.36Å; D195-T216 PolarHBondContact OD2-N 3.08Å; D195-T216 PolarHBondContact OD2-OG1 3.37Å
217L90.2Very high90Very high27 Ų2782.5 Ų82.514%0.14146%0.456CS..  trans-68131.1-175.5-70.6170.9000112.4D195 K211 L221 E223D195-L217 HydrophobicContact CB-CD1 3.77Å; D195-L217 HydrophobicContact CB-CG 3.93Å; D195-L217 VanDerWaalsContact CG-CG 3.5Å; D195-L217 WeakPolarHBondContact OD1-CD1 3.43Å; D195-L217 WeakPolarHBondContact OD1-CG 3.4Å; K211-L217 PolarHBondContact NZ-O 3.37Å; L217-L221 HydrophobicContact CB-CB 4.29Å; L217-L221 HydrophobicContact CD1-CB 4.48Å; L217-E223 VanDerWaalsContact CD1-C 3.45Å
218P88.6Confident90Very high96 Ų9679.6 Ų79.662%0.62345%0.445SS*.  trans-71.6149.6177.929.7-34.4000112.1N220 L221P218-N220 PolarHBondContact O-N 2.98Å; P218-L221 PolarHBondContact O-N 3.25Å
219G83Confident89.8Confident63 Ų6379.8 Ų79.865%0.64946%0.455SS*.THydrogen-bonded Turntrans57.5-131.6167.600000114.3K211K211-G219 PolarHBondContact NZ-O 3.2Å
220N84.1Confident89.6Confident157 Ų15777.5 Ų77.584%0.8447%0.47SS*.THydrogen-bonded Turntrans-87.6-4.4-173.4-69.6-7.4000114.5P218 K222P218-N220 PolarHBondContact O-N 2.98Å; N220-K222 PolarHBondContact O-N 2.73Å; N220-K222 VanDerWaalsContact O-N 3.17Å
221L86.2Confident89.4Confident82 Ų8273.2 Ų73.243%0.42945%0.446SS..  trans-65.2117.8178.6-68.2174.6000109.6K211 L217 P218K211-L221 WeakPolarHBondContact CE-O 3.48Å; K211-L221 PolarHBondContact NZ-O 2.92Å; L217-L221 HydrophobicContact CB-CB 4.29Å; L217-L221 HydrophobicContact CD1-CB 4.48Å; P218-L221 PolarHBondContact O-N 3.25Å
222K86.3Confident89.3Confident72 Ų7275.8 Ų75.831%0.31346%0.459SS..  trans-97.1-13.1-179.3-64.3-55.9-166.7136.60114.4P206 W209 K211 N220P206-K222 HydrophobicContact CB-CB 4.46Å; P206-K222 WeakPolarHBondContact O-CB 3.49Å; P206-K222 WeakPolarHBondContact O-CG 3.43Å; W209-K222 WeakPolarHBondContact O-CD 3.18Å; W209-K222 WeakPolarHBondContact O-CE 3Å; W209-K222 PolarHBondContact O-NZ 2.96Å; K211-K222 HydrophobicContact CD-CD 4.47Å; K211-K222 HydrophobicContact CG-CD 3.81Å; N220-K222 PolarHBondContact O-N 2.73Å; N220-K222 VanDerWaalsContact O-N 3.17Å
223E91.6Very high89.3Confident32 Ų3275.3 Ų75.315%0.1546%0.456CS..SBendtrans-143.9147.8-179.5179.1178.7-113.200107.9N196 R199 Y203 P206 L217N196-E223 HydrophobicContact CB-CG 4.23Å; N196-E223 PolarHBondContact ND2-OE1 2.93Å; R199-E223 IonicContact CZ-OE1 3.53Å; R199-E223 IonicContact CZ-OE2 3.25Å; R199-E223 VanDerWaalsContact CZ-OE2 3.25Å; R199-E223 IonicContact NE-OE1 3.21Å; R199-E223 PolarHBondContact NE-OE1 2.99Å; R199-E223 IonicContact NE-OE2 3.33Å; R199-E223 PolarHBondContact NE-OE2 2.49Å; R199-E223 VanDerWaalsContact NH2-CG 3.33Å; R199-E223 IonicContact NH2-OE1 3.88Å; R199-E223 IonicContact NH2-OE2 2.79Å; R199-E223 PolarHBondContact NH2-OE2 2.76Å; Y203-E223 WeakPolarHBondContact CD2-OE1 3.29Å; P206-E223 HydrophobicContact CB-CB 3.9Å; P206-E223 HydrophobicContact CG-CB 4.42Å; L217-E223 VanDerWaalsContact CD1-C 3.45Å
224S89.7Confident89.2Confident13 Ų1376.5 Ų76.59%0.09145%0.454CS..  trans-55.8126.3178.2174.90000109.9D195 R199 T226D195-S224 WeakPolarHBondContact O-CB 3.38Å; D195-S224 PolarHBondContact O-N 3.22Å; R199-S224 PolarHBondContact NH1-O 2.84Å; R199-S224 VanDerWaalsContact NH1-O 3.1Å; R199-S224 PolarHBondContact NH2-O 2.83Å; S224-T226 PolarHBondContact O-N 3.5Å; S224-T226 PolarHBondContact OG-N 2.89Å; S224-T226 PolarHBondContact OG-O 2.93Å
225P87.1Confident89.2Confident94 Ų9478.4 Ų78.461%0.6146%0.464SS*.SBendtrans-67.4-20.2-17928.6-35.2000112.4
226T87.2Confident89.3Confident100 Ų10077.1 Ų77.161%0.61345%0.454SS*.SBendtrans-114.6133.5177.852.80000110.2S224S224-T226 PolarHBondContact O-N 3.5Å; S224-T226 PolarHBondContact OG-N 2.89Å; S224-T226 PolarHBondContact OG-O 2.93Å
227V90.1Very high89.6Confident72 Ų7273 Ų7344%0.43643%0.426SS..  trans-84.2125.1171.8-177.40000108.7A197 R199 V229A197-V227 WeakPolarHBondContact O-CA 3.32Å; R199-V227 HydrophobicContact CB-CG1 4.46Å; R199-V227 HydrophobicContact CG-CB 4.39Å; R199-V227 HydrophobicContact CG-CG1 3.85Å; R199-V227 HydrophobicContact CG-CG2 3.77Å; V227-V229 VanDerWaalsContact C-N 3.32Å; V227-V229 HydrophobicContact CB-CG2 4.33Å; V227-V229 HydrophobicContact CG1-CG2 3.95Å; V227-V229 PolarHBondContact O-N 3.23Å; V227-V229 VanDerWaalsContact O-N 3.08Å
228D89.5Confident90Very high89 Ų8971.7 Ų71.748%0.47642%0.419SS..  trans-82.280174.1-17516.8000109.7A197 L198 G230 G231A197-D228 PolarHBondContact O-N 3.48Å; L198-D228 HydrophobicContact CD2-CB 4.17Å; D228-G230 PolarHBondContact O-N 3.09Å; D228-G230 VanDerWaalsContact O-N 3.13Å; D228-G231 PolarHBondContact O-N 2.93Å; D228-G231 VanDerWaalsContact O-N 3.08Å; D228-G231 WeakPolarHBondContact OD2-CA 3.33Å
229V86.7Confident90.4Very high132 Ų13267.2 Ų67.280%0.839%0.39SS*.THydrogen-bonded Turntrans-67111.8-177.2-176.20000109.8V227V227-V229 VanDerWaalsContact C-N 3.32Å; V227-V229 HydrophobicContact CB-CG2 4.33Å; V227-V229 HydrophobicContact CG1-CG2 3.95Å; V227-V229 PolarHBondContact O-N 3.23Å; V227-V229 VanDerWaalsContact O-N 3.08Å
230G87.3Confident91.1Very high78 Ų7864.2 Ų64.280%0.80436%0.359SS*.THydrogen-bonded Turntrans86.75.6-17800000114.2D228D228-G230 PolarHBondContact O-N 3.09Å; D228-G230 VanDerWaalsContact O-N 3.13Å
231G89.5Confident91.7Very high21 Ų2161.2 Ų61.222%0.21634%0.34CS..  trans-59.3154165.800000111.8D228D228-G231 PolarHBondContact O-N 2.93Å; D228-G231 VanDerWaalsContact O-N 3.08Å; D228-G231 WeakPolarHBondContact OD2-CA 3.33Å
232E90.8Very high92.2Very high126 Ų12657.9 Ų57.959%0.58932%0.324SS*.  trans-119.5145.1170.6-71.2-174.7164.900109.1R234E232-R234 WeakPolarHBondContact O-CG 3.32Å; E232-R234 PolarHBondContact O-N 3.07Å; E232-R234 VanDerWaalsContact O-N 3.14Å
233P92.8Very high92.6Very high22 Ų2256.5 Ų56.514%0.14332%0.323CS..  trans-65.5117.5175.328.2-34.6000109.8L35 Y192 L198 F236L35-P233 HydrophobicContact CB-CG 3.93Å; L35-P233 HydrophobicContact CD2-CG 4.49Å; Y192-P233 HydrophobicContact CD2-CB 3.5Å; Y192-P233 HydrophobicContact CD2-CG 4.38Å; Y192-P233 HydrophobicContact CE2-CB 3.95Å; Y192-P233 HydrophobicContact CE2-CG 4.39Å; Y192-P233 HydrophobicContact CG-CB 4.21Å; L198-P233 HydrophobicContact CD1-CB 3.96Å; L198-P233 HydrophobicContact CD1-CG 4.42Å; P233-F236 HydrophobicContact CB-CE1 4.08Å; P233-F236 HydrophobicContact CB-CZ 3.82Å; P233-F236 HydrophobicContact CG-CZ 4.23Å; P233-F236 VanDerWaalsContact O-CZ 3.29Å; P233-F236 WeakPolarHBondContact O-CZ 3.36Å
234R91.2Very high92.5Very high155 Ų15556.5 Ų56.559%0.58533%0.332SS*.  trans-116.3-20.8-175.7-74.4-178.6-178.4-174.84.4114.8E31 N32 E232E31-R234 CarbonylContact C-O 3.43Å; E31-R234 WeakPolarHBondContact CA-O 2.92Å; N32-R234 PolarHBondContact N-O 2.89Å; E232-R234 WeakPolarHBondContact O-CG 3.32Å; E232-R234 PolarHBondContact O-N 3.07Å; E232-R234 VanDerWaalsContact O-N 3.14Å
235K95Very high92.7Very high70 Ų7056.2 Ų56.230%0.30433%0.33SS..EExtended strand (participates in β ladder)trans-118.4129.5179.1-175.2167.4-173.8160.20109.6I30 E31 Y192 W237I30-K235 WeakPolarHBondContact O-CA 3.29Å; E31-K235 HydrophobicContact CG-CB 4.16Å; E31-K235 HydrophobicContact CG-CD 3.81Å; E31-K235 HydrophobicContact CG-CG 3.76Å; E31-K235 WeakPolarHBondContact OE1-CD 3.27Å; E31-K235 WeakPolarHBondContact OE1-CE 3.46Å; E31-K235 IonicContact OE1-NZ 2.7Å; E31-K235 PolarHBondContact OE1-NZ 3.36Å; Y192-K235 WeakPolarHBondContact CB-O 3.31Å; K235-W237 HydrophobicContact CB-CH2 4.27Å; K235-W237 HydrophobicContact CB-CZ3 4.31Å; K235-W237 HydrophobicContact CD-CH2 3.73Å; K235-W237 HydrophobicContact CD-CZ2 3.53Å; K235-W237 HydrophobicContact CD-CZ3 4.43Å; K235-W237 VanDerWaalsContact CE-CZ2 3.46Å; K235-W237 HydrophobicContact CG-CD2 4.42Å; K235-W237 HydrophobicContact CG-CE3 4.33Å; K235-W237 HydrophobicContact CG-CH2 3.8Å; K235-W237 HydrophobicContact CG-CZ2 3.9Å; K235-W237 HydrophobicContact CG-CZ3 4Å
236F97.6Very high93.1Very high0 Ų051.9 Ų51.90%030%0.302CS..EExtended strand (participates in β ladder)trans-127.6129.4-178.1-57.5-88.6000108.5S29 I30 T33 L35 A38 F190 E191 Y192 P233S29-F236 CarbonylContact C-O 3.47Å; S29-F236 WeakPolarHBondContact CA-O 3.44Å; I30-F236 PolarHBondContact N-O 2.9Å; I30-F236 PolarHBondContact O-N 2.8Å; T33-F236 HydrophobicContact CG2-CD2 3.31Å; T33-F236 HydrophobicContact CG2-CE2 3.47Å; T33-F236 VanDerWaalsContact CG2-CE2 3.47Å; T33-F236 HydrophobicContact CG2-CG 4.44Å; L35-F236 VanDerWaalsContact CA-CZ 3.45Å; L35-F236 HydrophobicContact CB-CE1 3.99Å; L35-F236 HydrophobicContact CB-CZ 3.95Å; L35-F236 HydrophobicContact CD1-CD1 4.48Å; L35-F236 HydrophobicContact CD1-CE1 3.71Å; L35-F236 HydrophobicContact CG-CE1 4.47Å; A38-F236 HydrophobicContact CB-CB 4.18Å; A38-F236 HydrophobicContact CB-CD1 3.75Å; A38-F236 HydrophobicContact CB-CD2 3.89Å; A38-F236 HydrophobicContact CB-CE1 4.14Å; A38-F236 HydrophobicContact CB-CE2 4.25Å; A38-F236 HydrophobicContact CB-CG 3.63Å; A38-F236 HydrophobicContact CB-CZ 4.37Å; F190-F236 HydrophobicContact CE1-CD1 4.45Å; F190-F236 HydrophobicContact CE2-CB 4.46Å; F190-F236 AromaticContact CE2-CD1 3.94Å; F190-F236 HydrophobicContact CE2-CD1 3.94Å; F190-F236 AromaticContact CZ-CD1 3.55Å; F190-F236 HydrophobicContact CZ-CD1 3.55Å; F190-F236 HydrophobicContact CZ-CE1 4.08Å; E191-F236 CarbonylContact O-C 3.58Å; E191-F236 WeakPolarHBondContact O-CA 3.14Å; Y192-F236 HydrophobicContact CD1-CD1 4.41Å; Y192-F236 HydrophobicContact CD1-CE1 4.27Å; Y192-F236 HydrophobicContact CG-CD1 4.19Å; Y192-F236 AromaticContact CG-CE1 3.96Å; Y192-F236 HydrophobicContact CG-CE1 3.96Å; P233-F236 HydrophobicContact CB-CE1 4.08Å; P233-F236 HydrophobicContact CB-CZ 3.82Å; P233-F236 HydrophobicContact CG-CZ 4.23Å; P233-F236 VanDerWaalsContact O-CZ 3.29Å; P233-F236 WeakPolarHBondContact O-CZ 3.36Å
237W97.6Very high93.4Very high32 Ų3251.3 Ų51.312%0.12129%0.291CS..EExtended strand (participates in β ladder)trans-99.2129.3171.4-64.5-98.1000108.4F190 E191 P194 Y214 K235F190-W237 WeakPolarHBondContact CA-O 3.18Å; E191-W237 PolarHBondContact N-O 3.42Å; E191-W237 PolarHBondContact O-N 3.44Å; P194-W237 HydrophobicContact CG-CH2 3.84Å; P194-W237 HydrophobicContact CG-CZ3 3.96Å; Y214-W237 HydrophobicContact CD1-CB 4.33Å; Y214-W237 AromaticContact CD1-CD1 3.11Å; Y214-W237 HydrophobicContact CD1-CD2 4.27Å; Y214-W237 AromaticContact CD1-CG 3.69Å; Y214-W237 HydrophobicContact CD1-CG 3.69Å; Y214-W237 AromaticContact CD1-NE1 3.34Å; Y214-W237 VanDerWaalsContact CD1-NE1 3.34Å; Y214-W237 HydrophobicContact CD2-CB 3.73Å; Y214-W237 HydrophobicContact CD2-CD2 4.16Å; Y214-W237 AromaticContact CD2-CG 3.7Å; Y214-W237 HydrophobicContact CD2-CG 3.7Å; Y214-W237 HydrophobicContact CE1-CB 4.12Å; Y214-W237 AromaticContact CE1-CD1 3.29Å; Y214-W237 AromaticContact CE1-CG 3.88Å; Y214-W237 HydrophobicContact CE1-CG 3.88Å; Y214-W237 AromaticContact CE1-NE1 3.98Å; Y214-W237 HydrophobicContact CE2-CB 3.53Å; Y214-W237 AromaticContact CE2-CG 3.93Å; Y214-W237 HydrophobicContact CE2-CG 3.93Å; Y214-W237 HydrophobicContact CG-CB 4.13Å; Y214-W237 AromaticContact CG-CD1 3.49Å; Y214-W237 VanDerWaalsContact CG-CD1 3.49Å; Y214-W237 AromaticContact CG-CD2 3.87Å; Y214-W237 HydrophobicContact CG-CD2 3.87Å; Y214-W237 AromaticContact CG-CE2 3.9Å; Y214-W237 AromaticContact CG-CG 3.58Å; Y214-W237 HydrophobicContact CG-CG 3.58Å; Y214-W237 AromaticContact CG-NE1 3.66Å; Y214-W237 AromaticContact CZ-CD1 3.83Å; Y214-W237 AromaticContact CZ-CG 3.99Å; K235-W237 HydrophobicContact CB-CH2 4.27Å; K235-W237 HydrophobicContact CB-CZ3 4.31Å; K235-W237 HydrophobicContact CD-CH2 3.73Å; K235-W237 HydrophobicContact CD-CZ2 3.53Å; K235-W237 HydrophobicContact CD-CZ3 4.43Å; K235-W237 VanDerWaalsContact CE-CZ2 3.46Å; K235-W237 HydrophobicContact CG-CD2 4.42Å; K235-W237 HydrophobicContact CG-CE3 4.33Å; K235-W237 HydrophobicContact CG-CH2 3.8Å; K235-W237 HydrophobicContact CG-CZ2 3.9Å; K235-W237 HydrophobicContact CG-CZ3 4Å
238M97.5Very high93.7Very high0 Ų047.9 Ų47.90%027%0.27CS..EExtended strand (participates in β ladder)trans-132.1137.9-177.6-61.8-176.371.500109.5K27 F28 I30 L41 R42 F45 S189 F190K27-M238 WeakPolarHBondContact CA-O 3.47Å; F28-M238 HydrophobicContact CD2-CB 4.36Å; F28-M238 HydrophobicContact CE1-CB 4.09Å; F28-M238 HydrophobicContact CE2-CB 3.76Å; F28-M238 HydrophobicContact CE2-CG 4.25Å; F28-M238 HydrophobicContact CE2-SD 3.95Å; F28-M238 HydrophobicContact CZ-CB 3.64Å; F28-M238 HydrophobicContact CZ-CG 4.41Å; F28-M238 HydrophobicContact CZ-SD 4.13Å; F28-M238 PolarHBondContact N-O 2.64Å; F28-M238 PolarHBondContact O-N 2.77Å; F28-M238 VanDerWaalsContact O-O 3.08Å; I30-M238 HydrophobicContact CD1-SD 4.19Å; L41-M238 HydrophobicContact CB-CE 4.4Å; R42-M238 HydrophobicContact CB-CE 3.87Å; F45-M238 HydrophobicContact CD2-CE 4.22Å; F45-M238 HydrophobicContact CE2-CE 3.88Å; S189-M238 VanDerWaalsContact O-CA 3.32Å; S189-M238 WeakPolarHBondContact O-CA 3.43Å; F190-M238 HydrophobicContact CD2-CE 4.13Å; F190-M238 HydrophobicContact CD2-CG 3.96Å; F190-M238 HydrophobicContact CD2-SD 4.24Å; F190-M238 HydrophobicContact CE2-SD 4.46Å
239G97.3Very high94Very high2 Ų248.4 Ų48.42%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-125.4123.8170.400000109V26 V188 S189V26-G239 CarbonylContact O-C 3.55Å; V26-G239 WeakPolarHBondContact O-CA 3.32Å; V188-G239 CarbonylContact C-O 3.54Å; V188-G239 VanDerWaalsContact CA-O 3.24Å; V188-G239 WeakPolarHBondContact CA-O 3.42Å; S189-G239 PolarHBondContact N-O 3.03Å; S189-G239 PolarHBondContact O-N 3.16Å; S189-G239 WeakPolarHBondContact OG-CA 3.35Å; S189-G239 PolarHBondContact OG-N 3.37Å; S189-G239 PolarHBondContact OG-O 3.4Å
240V97.9Very high94.4Very high0 Ų044.5 Ų44.50%024%0.244CC..EExtended strand (participates in β ladder)trans-108.7111.6176179.70000107.6L25 V26 F28 F45 T185 V188 I251 V252L25-V240 WeakPolarHBondContact CA-O 3.41Å; V26-V240 PolarHBondContact N-O 3.48Å; V26-V240 PolarHBondContact O-N 3Å; F28-V240 HydrophobicContact CE1-CG2 4.16Å; F45-V240 HydrophobicContact CD2-CG2 3.7Å; F45-V240 HydrophobicContact CE2-CG2 4.03Å; F45-V240 HydrophobicContact CG-CG2 4.4Å; T185-V240 HydrophobicContact CG2-CG1 3.89Å; V188-V240 HydrophobicContact CG1-CG2 4.19Å; V240-I251 HydrophobicContact CG1-CB 4.25Å; V240-I251 HydrophobicContact CG1-CD1 4.45Å; V240-I251 HydrophobicContact CG1-CG2 3.89Å; V240-V252 HydrophobicContact CB-CG2 4.23Å; V240-V252 HydrophobicContact CG1-CG2 4.48Å; V240-V252 HydrophobicContact CG2-CG2 3.97Å
241E97.6Very high94.9Very high93 Ų9340.8 Ų40.844%0.43521%0.206SC..EExtended strand (participates in β ladder)trans-101125.6176.1-169.5-178.6-176.500109.1E24 L25 T185 A186 S187E24-E241 CarbonylContact O-C 3.5Å; E24-E241 VanDerWaalsContact O-CA 3.32Å; E24-E241 WeakPolarHBondContact O-CA 3.32Å; L25-E241 HydrophobicContact CD1-CB 4.04Å; T185-E241 CarbonylContact C-O 3.48Å; T185-E241 VanDerWaalsContact CA-O 3.22Å; T185-E241 WeakPolarHBondContact CA-O 3.48Å; T185-E241 WeakPolarHBondContact CB-O 3.5Å; A186-E241 HydrophobicContact CB-CB 4.42Å; A186-E241 HydrophobicContact CB-CG 4.09Å; A186-E241 PolarHBondContact N-O 2.78Å; S187-E241 PolarHBondContact N-O 3.44Å; S187-E241 PolarHBondContact O-N 3.36Å
242S96.2Very high95.2Very high13 Ų1340.7 Ų40.79%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-77.8148.1-179175.80000112.1E24 G244 L246E24-S242 PolarHBondContact O-N 3.38Å; S242-G244 PolarHBondContact O-N 2.89Å; S242-G244 PolarHBondContact OG-N 2.79Å; S242-L246 WeakPolarHBondContact CB-O 3.02Å; S242-L246 PolarHBondContact OG-O 2.86Å
243S93.9Very high95.5Very high43 Ų4339 Ų3930%0.30120%0.196SC..  trans-77.4-2166.665.40000113.9P184P184-S243 PolarHBondContact O-N 2.99Å; P184-S243 PolarHBondContact O-OG 3.07Å; P184-S243 VanDerWaalsContact O-OG 3.08Å
244G91Very high95.6Very high32 Ų3239.1 Ų39.133%0.3320%0.197SC..SBendtrans91.7-15-172.700000114.2A137 S242 L246A137-G244 VanDerWaalsContact CB-O 3.28Å; A137-G244 WeakPolarHBondContact CB-O 3.37Å; S242-G244 PolarHBondContact O-N 2.89Å; S242-G244 PolarHBondContact OG-N 2.79Å; G244-L246 VanDerWaalsContact C-N 3.32Å; G244-L246 PolarHBondContact O-N 2.83Å
245A93.2Very high95.9Very high6 Ų631.7 Ų31.75%0.0517%0.169CC..SBendtrans-69.4-28.8179.700000113.7P79 L80 S82P79-A245 HydrophobicContact CB-CB 4.2Å; L80-A245 WeakPolarHBondContact O-CA 3.12Å; L80-A245 VanDerWaalsContact O-CB 3.31Å; L80-A245 WeakPolarHBondContact O-CB 3.33Å; S82-A245 PolarHBondContact N-O 2.89Å; S82-A245 PolarHBondContact OG-O 2.88Å
246L94.6Very high95.9Very high4 Ų432.1 Ų32.12%0.02117%0.174CC..SBendtrans-138.9150176.4-73.3176.8000109.4V49 T51 S82 D83 V86 P184 S242 G244 I251V49-L246 HydrophobicContact CG1-CD1 3.9Å; T51-L246 HydrophobicContact CG2-CD1 3.78Å; T51-L246 HydrophobicContact CG2-CG 4.22Å; S82-L246 WeakPolarHBondContact OG-CD2 3.49Å; S82-L246 WeakPolarHBondContact OG-CG 3.12Å; D83-L246 HydrophobicContact CB-CD2 4.31Å; D83-L246 WeakPolarHBondContact OD1-CD2 3.46Å; D83-L246 WeakPolarHBondContact OD2-CA 3.48Å; V86-L246 HydrophobicContact CG1-CD2 4.28Å; P184-L246 HydrophobicContact CB-CD1 4.07Å; S242-L246 WeakPolarHBondContact CB-O 3.02Å; S242-L246 PolarHBondContact OG-O 2.86Å; G244-L246 VanDerWaalsContact C-N 3.32Å; G244-L246 PolarHBondContact O-N 2.83Å; L246-I251 HydrophobicContact CB-CD1 4.31Å; L246-I251 HydrophobicContact CB-CG1 3.78Å; L246-I251 HydrophobicContact CD1-CG1 4.27Å
247K94.7Very high95.8Very high87 Ų8734.8 Ų34.838%0.37820%0.196SC..  trans-63.9143.1169.8-67.8-177171.7-127.90111D23 D83 E249 N250 I251D23-K247 IonicContact OD1-NZ 2.83Å; D23-K247 PolarHBondContact OD1-NZ 2.91Å; D23-K247 IonicContact OD2-NZ 2.67Å; D23-K247 PolarHBondContact OD2-NZ 2.83Å; D83-K247 PolarHBondContact OD1-N 3.3Å; D83-K247 PolarHBondContact OD2-N 3.35Å; K247-E249 VanDerWaalsContact C-N 3.25Å; K247-E249 PolarHBondContact O-N 2.99Å; K247-N250 HydrophobicContact CB-CB 4.42Å; K247-N250 WeakPolarHBondContact O-CB 3.43Å; K247-N250 PolarHBondContact O-N 2.82Å; K247-I251 WeakPolarHBondContact O-CG1 3.33Å; K247-I251 PolarHBondContact O-N 3.05Å; K247-I251 VanDerWaalsContact O-N 3.08Å
248A96.2Very high95.8Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-56.4-37.7-177.400000113.2D23 V26 I251 V252D23-A248 PolarHBondContact O-N 2.97Å; V26-A248 HydrophobicContact CB-CB 4.16Å; V26-A248 HydrophobicContact CG2-CB 3.67Å; A248-I251 PolarHBondContact O-N 3.29Å; A248-V252 PolarHBondContact O-N 2.95Å
249E95.7Very high95.7Very high100 Ų10035.7 Ų35.747%0.46720%0.203SC..Hα-helixtrans-61.5-45.4174.2-177.9-179.7-176.800112.1I21 V26 K247 I251 V252 L253I21-E249 HydrophobicContact CD1-CB 4.32Å; I21-E249 HydrophobicContact CD1-CG 4.34Å; V26-E249 HydrophobicContact CG2-CB 4.39Å; K247-E249 VanDerWaalsContact C-N 3.25Å; K247-E249 PolarHBondContact O-N 2.99Å; E249-I251 VanDerWaalsContact C-N 3.28Å; E249-I251 PolarHBondContact O-N 3.09Å; E249-V252 PolarHBondContact O-N 3.07Å; E249-V252 VanDerWaalsContact O-N 3.09Å; E249-L253 HydrophobicContact CG-CD1 4.05Å; E249-L253 HydrophobicContact CG-CG 4.42Å; E249-L253 WeakPolarHBondContact O-CG 3.48Å; E249-L253 PolarHBondContact O-N 2.6Å
250N95.8Very high95.7Very high50 Ų5042.4 Ų42.427%0.26723%0.232SC..Hα-helixtrans-65-33.3-179.6-70.6-18.3000111.5D83 K247 V252 L253 S254D83-N250 PolarHBondContact OD1-ND2 3.44Å; K247-N250 HydrophobicContact CB-CB 4.42Å; K247-N250 WeakPolarHBondContact O-CB 3.43Å; K247-N250 PolarHBondContact O-N 2.82Å; N250-V252 VanDerWaalsContact C-N 3.31Å; N250-V252 PolarHBondContact O-N 3.12Å; N250-L253 PolarHBondContact O-N 2.65Å; N250-S254 WeakPolarHBondContact O-CB 3.48Å; N250-S254 PolarHBondContact O-N 3.15Å; N250-S254 PolarHBondContact O-OG 2.91Å; N250-S254 VanDerWaalsContact O-OG 3.08Å
251I97.1Very high95.6Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-59.8-44.5173-61172.3000110.5F45 V49 P184 T185 V240 L246 K247 A248 E249 G255F45-I251 HydrophobicContact CB-CG2 4.26Å; V49-I251 HydrophobicContact CG1-CG2 4.44Å; V49-I251 HydrophobicContact CG2-CG2 4.27Å; P184-I251 HydrophobicContact CB-CD1 3.88Å; P184-I251 HydrophobicContact CB-CG1 3.99Å; P184-I251 HydrophobicContact CG-CG2 4.3Å; P184-I251 VanDerWaalsContact O-CD1 3.3Å; P184-I251 WeakPolarHBondContact O-CD1 3.43Å; T185-I251 HydrophobicContact CG2-CD1 4.16Å; T185-I251 HydrophobicContact CG2-CG2 3.88Å; V240-I251 HydrophobicContact CG1-CB 4.25Å; V240-I251 HydrophobicContact CG1-CD1 4.45Å; V240-I251 HydrophobicContact CG1-CG2 3.89Å; L246-I251 HydrophobicContact CB-CD1 4.31Å; L246-I251 HydrophobicContact CB-CG1 3.78Å; L246-I251 HydrophobicContact CD1-CG1 4.27Å; K247-I251 WeakPolarHBondContact O-CG1 3.33Å; K247-I251 PolarHBondContact O-N 3.05Å; K247-I251 VanDerWaalsContact O-N 3.08Å; A248-I251 PolarHBondContact O-N 3.29Å; E249-I251 VanDerWaalsContact C-N 3.28Å; E249-I251 PolarHBondContact O-N 3.09Å; I251-G255 PolarHBondContact O-N 3.05Å
252V96.3Very high95.5Very high19 Ų1947.5 Ų47.512%0.11526%0.255CS..Hα-helixtrans-67.1-47-179.9177.50000111V26 F28 F45 V240 A248 E249 N250 G255 L256V26-V252 HydrophobicContact CG1-CG2 4.27Å; F28-V252 HydrophobicContact CE1-CG2 4.1Å; F45-V252 HydrophobicContact CE1-CB 4.41Å; F45-V252 HydrophobicContact CE1-CG1 4.34Å; F45-V252 HydrophobicContact CZ-CB 4.4Å; F45-V252 HydrophobicContact CZ-CG1 4.01Å; F45-V252 HydrophobicContact CZ-CG2 4.35Å; V240-V252 HydrophobicContact CB-CG2 4.23Å; V240-V252 HydrophobicContact CG1-CG2 4.48Å; V240-V252 HydrophobicContact CG2-CG2 3.97Å; A248-V252 PolarHBondContact O-N 2.95Å; E249-V252 PolarHBondContact O-N 3.07Å; E249-V252 VanDerWaalsContact O-N 3.09Å; N250-V252 VanDerWaalsContact C-N 3.31Å; N250-V252 PolarHBondContact O-N 3.12Å; V252-G255 PolarHBondContact O-N 3.33Å; V252-L256 HydrophobicContact CG1-CD1 4.46Å; V252-L256 WeakPolarHBondContact O-CG 3.2Å; V252-L256 PolarHBondContact O-N 3.21Å
253L95.7Very high95.5Very high92 Ų9251.7 Ų51.748%0.48228%0.276SS..Hα-helixtrans-63.5-47.9179.5-67.1176.1000112E249 N250 G255 L256 A257E249-L253 HydrophobicContact CG-CD1 4.05Å; E249-L253 HydrophobicContact CG-CG 4.42Å; E249-L253 WeakPolarHBondContact O-CG 3.48Å; E249-L253 PolarHBondContact O-N 2.6Å; N250-L253 PolarHBondContact O-N 2.65Å; L253-G255 VanDerWaalsContact C-N 3.31Å; L253-G255 PolarHBondContact O-N 2.79Å; L253-L256 PolarHBondContact O-N 2.75Å; L253-A257 PolarHBondContact O-N 3.26Å
254S96.1Very high95.7Very high23 Ų2353.2 Ų53.216%0.16128%0.28CS..Hα-helixtrans-63.3-37.8176.3-67.20000111.4N250 L256 A257 V258N250-S254 WeakPolarHBondContact O-CB 3.48Å; N250-S254 PolarHBondContact O-N 3.15Å; N250-S254 PolarHBondContact O-OG 2.91Å; N250-S254 VanDerWaalsContact O-OG 3.08Å; S254-L256 PolarHBondContact O-N 3.15Å; S254-A257 WeakPolarHBondContact O-CB 3.4Å; S254-A257 PolarHBondContact O-N 3.18Å; S254-V258 VanDerWaalsContact O-CG2 3.28Å; S254-V258 WeakPolarHBondContact O-CG2 3.29Å; S254-V258 PolarHBondContact O-N 3.18Å
255G96.1Very high95.9Very high0 Ų055.8 Ų55.80%029%0.287CS..Hα-helixtrans-61.8-42174.700000112.8I44 I251 V252 L253 V258 L259I44-G255 WeakPolarHBondContact CG2-O 3.4Å; I251-G255 PolarHBondContact O-N 3.05Å; V252-G255 PolarHBondContact O-N 3.33Å; L253-G255 VanDerWaalsContact C-N 3.31Å; L253-G255 PolarHBondContact O-N 2.79Å; G255-V258 PolarHBondContact O-N 2.89Å; G255-L259 PolarHBondContact O-N 3.44Å
256L95.8Very high96.1Very high79 Ų7960.9 Ų60.941%0.41431%0.312SS..Hα-helixtrans-65.2-39.6174.2-70.1171.5000112.2L41 V252 L253 S254 L259 K260L41-L256 HydrophobicContact CD2-CD2 3.58Å; V252-L256 HydrophobicContact CG1-CD1 4.46Å; V252-L256 WeakPolarHBondContact O-CG 3.2Å; V252-L256 PolarHBondContact O-N 3.21Å; L253-L256 PolarHBondContact O-N 2.75Å; S254-L256 PolarHBondContact O-N 3.15Å; L256-L259 PolarHBondContact O-N 2.82Å; L256-K260 WeakPolarHBondContact O-CB 3.38Å; L256-K260 PolarHBondContact O-N 3.14Å
257A96.5Very high96.1Very high56 Ų5669.7 Ų69.746%0.46335%0.345SS..Hα-helixtrans-62.2-47176.100000111.5L253 S254 L259 K260 E261L253-A257 PolarHBondContact O-N 3.26Å; S254-A257 WeakPolarHBondContact O-CB 3.4Å; S254-A257 PolarHBondContact O-N 3.18Å; A257-L259 PolarHBondContact O-N 3.08Å; A257-K260 WeakPolarHBondContact O-CB 3.48Å; A257-K260 PolarHBondContact O-N 2.84Å; A257-K260 VanDerWaalsContact O-N 3.16Å; A257-E261 WeakPolarHBondContact O-CB 3.43Å; A257-E261 PolarHBondContact O-N 2.89Å
258V95.9Very high96.2Very high21 Ų2169 Ų6913%0.12735%0.348CS..Hα-helixtrans-59.7-43.9177.11700000111.4I44 E48 S254 G255 K260 E261 K262I44-V258 HydrophobicContact CG2-CB 4.44Å; I44-V258 HydrophobicContact CG2-CG1 4.42Å; E48-V258 HydrophobicContact CB-CG1 3.96Å; S254-V258 VanDerWaalsContact O-CG2 3.28Å; S254-V258 WeakPolarHBondContact O-CG2 3.29Å; S254-V258 PolarHBondContact O-N 3.18Å; G255-V258 PolarHBondContact O-N 2.89Å; V258-K260 VanDerWaalsContact C-N 3.33Å; V258-K260 PolarHBondContact O-N 3.49Å; V258-E261 PolarHBondContact O-N 2.96Å; V258-K262 HydrophobicContact CG1-CD 4.38Å; V258-K262 WeakPolarHBondContact O-CG 3.46Å; V258-K262 PolarHBondContact O-N 3.05Å
259L96.1Very high96.2Very high29 Ų2974.5 Ų74.515%0.15237%0.374CS..Hα-helixtrans-60.7-44.8176.2179.855.2000111.4L37 T40 L41 I44 G255 L256 A257 L263L37-L259 HydrophobicContact CD1-CD2 4.15Å; T40-L259 HydrophobicContact CG2-CD1 4.19Å; L41-L259 HydrophobicContact CD2-CD2 3.79Å; I44-L259 HydrophobicContact CD1-CB 3.61Å; I44-L259 HydrophobicContact CD1-CD1 3.67Å; I44-L259 HydrophobicContact CD1-CD2 4.29Å; I44-L259 HydrophobicContact CD1-CG 4.02Å; G255-L259 PolarHBondContact O-N 3.44Å; L256-L259 PolarHBondContact O-N 2.82Å; A257-L259 PolarHBondContact O-N 3.08Å; L259-L263 HydrophobicContact CD1-CD1 4.11Å; L259-L263 HydrophobicContact CD1-CG 4.24Å; L259-L263 HydrophobicContact CG-CD1 4.18Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.08Å; L259-L263 VanDerWaalsContact O-N 3.1Å
260K96.7Very high96.2Very high143 Ų14374.7 Ų74.762%0.62238%0.377SS*.Hα-helixtrans-64.4-44.4-179.6-177.2-178177-1750111.7L256 A257 V258 L263 N264L256-K260 WeakPolarHBondContact O-CB 3.38Å; L256-K260 PolarHBondContact O-N 3.14Å; A257-K260 WeakPolarHBondContact O-CB 3.48Å; A257-K260 PolarHBondContact O-N 2.84Å; A257-K260 VanDerWaalsContact O-N 3.16Å; V258-K260 VanDerWaalsContact C-N 3.33Å; V258-K260 PolarHBondContact O-N 3.49Å; K260-L263 PolarHBondContact O-N 2.89Å; K260-N264 VanDerWaalsContact O-CG 3.29Å; K260-N264 PolarHBondContact O-N 3.1Å; K260-N264 PolarHBondContact O-ND2 2.71Å
261E96.3Very high96.1Very high120 Ų12075.1 Ų75.156%0.56138%0.384SS*.Hα-helixtrans-58.1-51.7177-172.5179.6178.500110.6A257 V258 L263 N264 D265A257-E261 WeakPolarHBondContact O-CB 3.43Å; A257-E261 PolarHBondContact O-N 2.89Å; V258-E261 PolarHBondContact O-N 2.96Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 2.81Å; E261-N264 WeakPolarHBondContact O-CA 3.36Å; E261-N264 WeakPolarHBondContact O-CB 3.44Å; E261-N264 PolarHBondContact O-N 2.84Å; E261-D265 PolarHBondContact O-N 3.38Å
262K95.8Very high95.9Very high80 Ų8078.5 Ų78.535%0.34840%0.403SS..Hα-helixtrans-59-40.9178.8-72.9-174.3177.1-158.50113.8E48 V258 N264 D265 I266E48-K262 IonicContact OE1-NZ 3.46Å; E48-K262 PolarHBondContact OE1-NZ 2.82Å; E48-K262 WeakPolarHBondContact OE2-CE 3.46Å; E48-K262 IonicContact OE2-NZ 2.69Å; E48-K262 PolarHBondContact OE2-NZ 3.13Å; V258-K262 HydrophobicContact CG1-CD 4.38Å; V258-K262 WeakPolarHBondContact O-CG 3.46Å; V258-K262 PolarHBondContact O-N 3.05Å; K262-N264 VanDerWaalsContact C-N 3.33Å; K262-D265 PolarHBondContact O-N 2.96Å; K262-I266 VanDerWaalsContact O-CG1 3.29Å; K262-I266 WeakPolarHBondContact O-CG1 3.2Å; K262-I266 PolarHBondContact O-N 3.25Å
263L96.1Very high95.7Very high102 Ų10282.3 Ų82.353%0.53442%0.419SS..Hα-helixtrans-66.5-37.9176.9-71.2174.2000111.7L259 K260 E261 R267L259-L263 HydrophobicContact CD1-CD1 4.11Å; L259-L263 HydrophobicContact CD1-CG 4.24Å; L259-L263 HydrophobicContact CG-CD1 4.18Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.08Å; L259-L263 VanDerWaalsContact O-N 3.1Å; K260-L263 PolarHBondContact O-N 2.89Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 2.81Å; L263-R267 WeakPolarHBondContact O-CB 3.28Å; L263-R267 PolarHBondContact O-N 2.79Å
264N97.4Very high95.4Very high74 Ų7483 Ų8340%0.39642%0.42SS..Hα-helixtrans-67.6-39.3175.2-73-24.7000111.9K260 E261 K262 R267 T268K260-N264 VanDerWaalsContact O-CG 3.29Å; K260-N264 PolarHBondContact O-N 3.1Å; K260-N264 PolarHBondContact O-ND2 2.71Å; E261-N264 WeakPolarHBondContact O-CA 3.36Å; E261-N264 WeakPolarHBondContact O-CB 3.44Å; E261-N264 PolarHBondContact O-N 2.84Å; K262-N264 VanDerWaalsContact C-N 3.33Å; N264-R267 PolarHBondContact O-N 3.24Å; N264-T268 WeakPolarHBondContact O-CB 3.42Å; N264-T268 PolarHBondContact O-N 2.77Å; N264-T268 PolarHBondContact O-OG1 3.17Å
265D96.6Very high95Very high86 Ų8685.1 Ų85.146%0.4644%0.435SS..Hα-helixtrans-62.5-48.8176.5-68.8-17.9000110.8E261 K262 R267 T268 Q269E261-D265 PolarHBondContact O-N 3.38Å; K262-D265 PolarHBondContact O-N 2.96Å; D265-R267 VanDerWaalsContact C-N 3.31Å; D265-R267 PolarHBondContact O-N 3.24Å; D265-T268 PolarHBondContact O-N 3.23Å; D265-T268 VanDerWaalsContact O-N 3.15Å; D265-Q269 WeakPolarHBondContact O-CG 3.48Å; D265-Q269 PolarHBondContact O-N 2.85Å
266I96.6Very high94.6Very high114 Ų11490.4 Ų90.459%0.58546%0.458SS*.Hα-helixtrans-58.8-45.3176.4-68.4167.4000110.5K262 T268 Q269 L270K262-I266 VanDerWaalsContact O-CG1 3.29Å; K262-I266 WeakPolarHBondContact O-CG1 3.2Å; K262-I266 PolarHBondContact O-N 3.25Å; I266-T268 VanDerWaalsContact C-N 3.31Å; I266-T268 PolarHBondContact O-N 2.84Å; I266-Q269 PolarHBondContact O-N 3.49Å; I266-L270 WeakPolarHBondContact O-CB 3.34Å; I266-L270 PolarHBondContact O-N 3.31Å
267R95.7Very high93.5Very high188 Ų18892 Ų9271%0.70946%0.464SS*.Hα-helixtrans-60.4-41.8177.4-179.5-179.3177.1-180-1.2111.9L263 N264 D265 L270 S271L263-R267 WeakPolarHBondContact O-CB 3.28Å; L263-R267 PolarHBondContact O-N 2.79Å; N264-R267 PolarHBondContact O-N 3.24Å; D265-R267 VanDerWaalsContact C-N 3.31Å; D265-R267 PolarHBondContact O-N 3.24Å; R267-L270 PolarHBondContact O-N 2.88Å; R267-S271 PolarHBondContact O-N 2.84Å
268T96.6Very high92.1Very high74 Ų7496.6 Ų96.645%0.45447%0.474SS..Hα-helixtrans-67.3-45.3-180-56.60000110.8N264 D265 I266 L270 S271 N272N264-T268 WeakPolarHBondContact O-CB 3.42Å; N264-T268 PolarHBondContact O-N 2.77Å; N264-T268 PolarHBondContact O-OG1 3.17Å; D265-T268 PolarHBondContact O-N 3.23Å; D265-T268 VanDerWaalsContact O-N 3.15Å; I266-T268 VanDerWaalsContact C-N 3.31Å; I266-T268 PolarHBondContact O-N 2.84Å; T268-L270 VanDerWaalsContact C-N 3.34Å; T268-L270 PolarHBondContact O-N 2.52Å; T268-S271 PolarHBondContact O-N 2.84Å; T268-N272 VanDerWaalsContact O-CG 3.26Å; T268-N272 PolarHBondContact O-N 2.87Å; T268-N272 PolarHBondContact O-ND2 3.32Å
269Q95.5Very high90.5Very high115 Ų115102.7 Ų102.754%0.53751%0.505SS..Hα-helixtrans-63.2-40.9176.7-65.3-58.8-19.700111.8D265 I266 S271 N272 E273D265-Q269 WeakPolarHBondContact O-CG 3.48Å; D265-Q269 PolarHBondContact O-N 2.85Å; I266-Q269 PolarHBondContact O-N 3.49Å; Q269-S271 PolarHBondContact O-N 2.75Å; Q269-N272 WeakPolarHBondContact O-CB 2.82Å; Q269-N272 PolarHBondContact O-N 3.1Å; Q269-E273 WeakPolarHBondContact O-CG 3.48Å; Q269-E273 PolarHBondContact O-N 3.42Å
270L94.9Very high88.8Confident103 Ų103108.2 Ų108.254%0.53953%0.533SS..Hα-helixtrans-60.5-45.7175.1-175.865.5000111.7I266 R267 T268 N272 E273 E274I266-L270 WeakPolarHBondContact O-CB 3.34Å; I266-L270 PolarHBondContact O-N 3.31Å; R267-L270 PolarHBondContact O-N 2.88Å; T268-L270 VanDerWaalsContact C-N 3.34Å; T268-L270 PolarHBondContact O-N 2.52Å; L270-N272 VanDerWaalsContact C-N 3.28Å; L270-N272 PolarHBondContact O-N 2.89Å; L270-E273 PolarHBondContact O-N 3.29Å; L270-E274 WeakPolarHBondContact O-CG 3.41Å; L270-E274 PolarHBondContact O-N 3.18Å
271S93.8Very high86.5Confident59 Ų59110.3 Ų110.341%0.41355%0.549SS..Hα-helixtrans-62.1-35.6177.2-170.80000112.6R267 T268 Q269 S275R267-S271 PolarHBondContact O-N 2.84Å; T268-S271 PolarHBondContact O-N 2.84Å; Q269-S271 PolarHBondContact O-N 2.75Å; S271-S275 WeakPolarHBondContact O-CB 3.2Å; S271-S275 PolarHBondContact O-N 2.91Å; S271-S275 VanDerWaalsContact O-N 3.12Å; S271-S275 PolarHBondContact O-OG 2.7Å
272N93.5Very high86Confident72 Ų72109.8 Ų109.839%0.38555%0.549SS..Hα-helixtrans-66.8-42175.9-70.2-20000111.4T268 Q269 L270 S275 K276T268-N272 VanDerWaalsContact O-CG 3.26Å; T268-N272 PolarHBondContact O-N 2.87Å; T268-N272 PolarHBondContact O-ND2 3.32Å; Q269-N272 WeakPolarHBondContact O-CB 2.82Å; Q269-N272 PolarHBondContact O-N 3.1Å; L270-N272 VanDerWaalsContact C-N 3.28Å; L270-N272 PolarHBondContact O-N 2.89Å; N272-S275 PolarHBondContact O-N 3.1Å; N272-K276 WeakPolarHBondContact O-CG 3.35Å; N272-K276 PolarHBondContact O-N 2.73Å
273E91.4Very high85.5Confident99 Ų99111.4 Ų111.446%0.46356%0.559SS.*Hα-helixtrans-68.6-40.8177.7-68.3-53.7125.800112.4Q269 L270 S275 K276 M277Q269-E273 WeakPolarHBondContact O-CG 3.48Å; Q269-E273 PolarHBondContact O-N 3.42Å; L270-E273 PolarHBondContact O-N 3.29Å; E273-S275 VanDerWaalsContact C-N 3.27Å; E273-S275 PolarHBondContact O-N 3.03Å; E273-K276 PolarHBondContact O-N 3.42Å; E273-K276 IonicContact OE1-NZ 2.72Å; E273-K276 PolarHBondContact OE1-NZ 2.95Å; E273-M277 PolarHBondContact O-N 3.01Å
274E90.9Very high85Confident106 Ų106111.9 Ų111.950%0.49556%0.561SS.*Hα-helixtrans-57.3-43.7172.4-73.2179.2165.600111L270 K276 M277 F278L270-E274 WeakPolarHBondContact O-CG 3.41Å; L270-E274 PolarHBondContact O-N 3.18Å; E274-K276 PolarHBondContact O-N 2.75Å; E274-M277 PolarHBondContact O-N 3.45Å; E274-F278 VanDerWaalsContact O-CD2 3.25Å; E274-F278 WeakPolarHBondContact O-CD2 3.29Å; E274-F278 PolarHBondContact O-N 2.84Å
275S88Confident84.2Confident68 Ų68114.1 Ų114.148%0.47657%0.571SS.*Hα-helixtrans-64.6-37.9178.4-56.70000112.7S271 N272 E273 M277S271-S275 WeakPolarHBondContact O-CB 3.2Å; S271-S275 PolarHBondContact O-N 2.91Å; S271-S275 VanDerWaalsContact O-N 3.12Å; S271-S275 PolarHBondContact O-OG 2.7Å; N272-S275 PolarHBondContact O-N 3.1Å; E273-S275 VanDerWaalsContact C-N 3.27Å; E273-S275 PolarHBondContact O-N 3.03Å; S275-M277 VanDerWaalsContact C-N 3.33Å
276K86.2Confident83.4Confident110 Ų110115.9 Ų115.948%0.47858%0.577SS.*Hα-helixtrans-66.5-36.8174.2-72.1173.8-171.81690111.9N272 E273 E274 F278 L279N272-K276 WeakPolarHBondContact O-CG 3.35Å; N272-K276 PolarHBondContact O-N 2.73Å; E273-K276 PolarHBondContact O-N 3.42Å; E273-K276 IonicContact OE1-NZ 2.72Å; E273-K276 PolarHBondContact OE1-NZ 2.95Å; E274-K276 PolarHBondContact O-N 2.75Å; K276-F278 VanDerWaalsContact C-N 3.33Å; K276-F278 PolarHBondContact O-N 3.47Å; K276-L279 WeakPolarHBondContact O-CB 3.48Å; K276-L279 PolarHBondContact O-N 3.46Å; K276-L279 VanDerWaalsContact O-N 3.11Å
277M74.2Confident82.6Confident112 Ų112116 Ų11655%0.55258%0.577SS**Hα-helixtrans-67.6-35.1-178.7-155.2-171.160.100111.9E273 E274 S275 L279 I280E273-M277 PolarHBondContact O-N 3.01Å; E274-M277 PolarHBondContact O-N 3.45Å; S275-M277 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 2.75Å; M277-I280 PolarHBondContact O-N 3.45Å
278F66.4Low81.6Confident153 Ų153110.9 Ų110.967%0.67157%0.568SS**Hα-helixtrans-66.9-18.7172-82-75.4000114.2E274 K276 I280E274-F278 VanDerWaalsContact O-CD2 3.25Å; E274-F278 WeakPolarHBondContact O-CD2 3.29Å; E274-F278 PolarHBondContact O-N 2.84Å; K276-F278 VanDerWaalsContact C-N 3.33Å; K276-F278 PolarHBondContact O-N 3.47Å; F278-I280 VanDerWaalsContact C-N 3.34Å
279L62.4Low80.5Confident150 Ų150113.7 Ų113.779%0.78558%0.576SS**THydrogen-bonded Turntrans-83.4-10.5174.4-76162.4000113.1K276 M277K276-L279 WeakPolarHBondContact O-CB 3.48Å; K276-L279 PolarHBondContact O-N 3.46Å; K276-L279 VanDerWaalsContact O-N 3.11Å; M277-L279 PolarHBondContact O-N 2.75Å
280I59.6Low79.2Confident144 Ų144113.6 Ų113.674%0.73858%0.58SS**  trans-96.8-11.7-178.3-62.2172000111.7M277 F278M277-I280 PolarHBondContact O-N 3.45Å; F278-I280 VanDerWaalsContact C-N 3.34Å
281I49.7Very low77.8Confident187 Ų187114.5 Ų114.596%0.95958%0.583SS**  trans-101.90176.5-54.4177000109.5

Retrieved 281 of 281 residues in 49.6 ms (Link to these results)

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