A0A087X464_POEFO Loading...

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B

AlphaFold DB , UniProt , Accession A0A087X464, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 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
1M24.6Very low28.2Very low243 Ų243115.3 Ų115.3100%1.19756%0.561SS**  0145.90-75.8176.8-165.600108.8C3M1-C3 PolarHBondContact O-N 3.36Å
2K21.9Very low29Very low193 Ų193106.3 Ų106.384%0.83952%0.517SS*.  trans-60.7114.1-158.1-63.1168.8178.1174.90113.8F4K2-F4 PolarHBondContact O-N 3.15Å
3C20.6Very low30.1Very low132 Ų132100 Ų10089%0.89248%0.484SS*.  trans-70.9108.9165.4-81.10000109.4M1 S5M1-C3 PolarHBondContact O-N 3.36Å; C3-S5 PolarHBondContact O-N 3.26Å; C3-S5 VanDerWaalsContact O-N 3.15Å
4F22.6Very low30.5Very low179 Ų17996.9 Ų96.979%0.78548%0.476SS*.  trans-67.7105.3171.5-83.7-95.4000109.9K2 R6K2-F4 PolarHBondContact O-N 3.15Å; F4-R6 PolarHBondContact O-N 3.12Å; F4-R6 VanDerWaalsContact O-N 3.12Å
5S23.1Very low31Very low75 Ų7594.2 Ų94.252%0.52447%0.468SS..  trans-69.792.9160.3-1720000108.1C3 Y7C3-S5 PolarHBondContact O-N 3.26Å; C3-S5 VanDerWaalsContact O-N 3.15Å; S5-Y7 PolarHBondContact O-N 2.92Å; S5-Y7 WeakPolarHBondContact OG-CD2 3.43Å; S5-Y7 VanDerWaalsContact OG-CE2 3.25Å; S5-Y7 WeakPolarHBondContact OG-CE2 3.34Å
6R26.2Very low31.4Very low207 Ų20791.7 Ų91.778%0.78146%0.463SS*.  trans-78.877.2171.2-80.9-172.4-179.9-173.70.5109F4F4-R6 PolarHBondContact O-N 3.12Å; F4-R6 VanDerWaalsContact O-N 3.12Å
7Y33.4Very low31.7Very low102 Ų10293.4 Ų93.440%0.448%0.479SS..  trans-71.7134.5148.8-76.8-84.9000106.9S5 P9 V376S5-Y7 PolarHBondContact O-N 2.92Å; S5-Y7 WeakPolarHBondContact OG-CD2 3.43Å; S5-Y7 VanDerWaalsContact OG-CE2 3.25Å; S5-Y7 WeakPolarHBondContact OG-CE2 3.34Å; Y7-P9 WeakPolarHBondContact O-CD 3.35Å; Y7-P9 VanDerWaalsContact O-N 3.12Å; Y7-V376 HydrophobicContact CD1-CB 4.17Å; Y7-V376 HydrophobicContact CD1-CG1 4.46Å; Y7-V376 HydrophobicContact CD1-CG2 4.38Å; Y7-V376 HydrophobicContact CE1-CB 3.88Å; Y7-V376 HydrophobicContact CE1-CG2 4.33Å
8L30.7Very low32.2Very low75 Ų7595 Ų9539%0.39349%0.487SS..  trans-60.5112.4178.4-64.9164.6000108.4Y10 D443L8-Y10 HydrophobicContact CB-CE2 4.23Å; L8-Y10 WeakPolarHBondContact O-CD2 3.16Å; L8-Y10 PolarHBondContact O-N 3.11Å; L8-D443 WeakPolarHBondContact CD2-OD2 3.4Å
9P33.6Very low32.3Very low32 Ų3295.1 Ų95.121%0.20849%0.488CS..  trans-71.992.8-179.430.2-38000110.5Y7 L11 I390 D443 K444Y7-P9 WeakPolarHBondContact O-CD 3.35Å; Y7-P9 VanDerWaalsContact O-N 3.12Å; P9-L11 PolarHBondContact O-N 3.45Å; P9-I390 HydrophobicContact CB-CB 4.19Å; P9-I390 HydrophobicContact CB-CD1 3.75Å; P9-I390 HydrophobicContact CB-CG1 3.77Å; P9-I390 HydrophobicContact CB-CG2 3.5Å; P9-D443 WeakPolarHBondContact CD-OD1 3.36Å; P9-K444 HydrophobicContact CB-CB 4.32Å; P9-K444 HydrophobicContact CG-CB 3.48Å; P9-K444 VanDerWaalsContact CG-CB 3.48Å; P9-K444 HydrophobicContact CG-CD 4.47Å; P9-K444 PolarHBondContact O-N 2.91Å
10Y37.2Very low32.5Very low6 Ų697.1 Ų97.12%0.02451%0.511CS..PPolyproline II helixtrans-62.9119.5170.2-78.8-71000110.7L8 M367 L378 L391 W423 I430 F441 Q442L8-Y10 HydrophobicContact CB-CE2 4.23Å; L8-Y10 WeakPolarHBondContact O-CD2 3.16Å; L8-Y10 PolarHBondContact O-N 3.11Å; Y10-M367 HydrophobicContact CD2-SD 4.24Å; Y10-M367 HydrophobicContact CE2-CE 3.55Å; Y10-M367 HydrophobicContact CE2-SD 3.51Å; Y10-M367 VanDerWaalsContact CE2-SD 3.51Å; Y10-M367 WeakPolarHBondContact OH-CE 3.21Å; Y10-L378 HydrophobicContact CD2-CD1 4.01Å; Y10-L391 PolarHBondContact O-N 2.8Å; Y10-L391 VanDerWaalsContact O-N 3.15Å; Y10-W423 WeakPolarHBondContact OH-CH2 3.35Å; Y10-W423 WeakPolarHBondContact OH-CZ2 3.24Å; Y10-I430 HydrophobicContact CD1-CD1 4.08Å; Y10-I430 HydrophobicContact CD1-CG1 4.11Å; Y10-I430 HydrophobicContact CE1-CD1 3.92Å; Y10-I430 HydrophobicContact CE1-CG1 3.88Å; Y10-I430 HydrophobicContact CE1-CG2 4.34Å; Y10-F441 HydrophobicContact CD1-CB 3.62Å; Y10-F441 HydrophobicContact CG-CB 4.07Å; Y10-Q442 CarbonylContact C-O 3.59Å; Y10-Q442 WeakPolarHBondContact CA-O 3.48Å
11L36Very low32.5Very low24 Ų2494.5 Ų94.513%0.12650%0.501CS..EExtended strand (participates in β ladder)trans-90.8124.4176.4-65.6170.4000109.7P9 R13 R388 A389 I390 F441 Q442 K444P9-L11 PolarHBondContact O-N 3.45Å; L11-R13 PolarHBondContact O-N 2.91Å; L11-R388 HydrophobicContact CD2-CB 4.25Å; L11-R388 WeakPolarHBondContact CD2-O 3.25Å; L11-A389 WeakPolarHBondContact CA-O 3.45Å; L11-I390 HydrophobicContact CD2-CG1 4.41Å; L11-F441 WeakPolarHBondContact O-CA 3.32Å; L11-Q442 HydrophobicContact CB-CG 4.29Å; L11-Q442 PolarHBondContact N-O 2.94Å; L11-Q442 PolarHBondContact O-N 3.29Å; L11-K444 HydrophobicContact CD1-CB 4.16Å; L11-K444 HydrophobicContact CD1-CG 4.26Å; L11-K444 HydrophobicContact CG-CB 4.43Å
12F37.6Very low33.2Very low7 Ų790.4 Ų90.43%0.03149%0.49CS..EExtended strand (participates in β ladder)trans-63.8124170.4-177.7-84.7000110.7P14 R382 R388 A389 Y439 F441F12-P14 HydrophobicContact CE1-CB 3.88Å; F12-P14 HydrophobicContact CE1-CG 4.24Å; F12-R382 HydrophobicContact CZ-CB 4.41Å; F12-R382 HydrophobicContact CZ-CG 4.33Å; F12-R388 WeakPolarHBondContact O-CA 3.4Å; F12-R388 PolarHBondContact O-N 2.89Å; F12-A389 PolarHBondContact N-O 2.9Å; F12-Y439 HydrophobicContact CD2-CD1 4.11Å; F12-Y439 AromaticContact CE2-CD1 3.37Å; F12-Y439 HydrophobicContact CE2-CD1 3.37Å; F12-Y439 AromaticContact CE2-CE1 3.49Å; F12-Y439 HydrophobicContact CE2-CE1 3.49Å; F12-Y439 VanDerWaalsContact CE2-CE1 3.49Å; F12-Y439 HydrophobicContact CZ-CD1 4.09Å; F12-Y439 HydrophobicContact CZ-CE1 4.03Å; F12-F441 HydrophobicContact CB-CE1 4.36Å; F12-F441 AromaticContact CD2-CE1 3.9Å; F12-F441 HydrophobicContact CD2-CE1 3.9Å
13R44.3Very low34.1Very low25 Ų2584.9 Ų84.99%0.09448%0.475CS..EExtended strand (participates in β ladder)trans-119.2117.9165.3-69-167.2176.1-166.96.6109.4L11 R67 G68 I440 Q442L11-R13 PolarHBondContact O-N 2.91Å; R13-R67 PolarHBondContact NH1-O 3.04Å; R13-R67 PolarHBondContact NH2-O 2.87Å; R13-G68 PolarHBondContact NH1-O 2.72Å; R13-I440 PolarHBondContact N-O 3.35Å; R13-I440 VanDerWaalsContact N-O 3.13Å; R13-Q442 VanDerWaalsContact CZ-CD 3.49Å; R13-Q442 VanDerWaalsContact NE-CD 3.29Å
14P35.3Very low35.8Very low56 Ų5685.2 Ų85.236%0.36446%0.463SS..  trans-67.1140.1173.826.9-28.9000109F12 S16 P387F12-P14 HydrophobicContact CE1-CB 3.88Å; F12-P14 HydrophobicContact CE1-CG 4.24Å; P14-S16 PolarHBondContact O-N 3.19Å; P14-P387 HydrophobicContact CG-CG 4.31Å
15P38Very low38.3Very low57 Ų5779.7 Ų79.737%0.3744%0.444SS..  trans-62.8131.4163.225.8-30.6000109T17 L438P15-T17 VanDerWaalsContact C-N 3.32Å; P15-T17 PolarHBondContact O-N 3.04Å; P15-L438 WeakPolarHBondContact CD-O 3.46Å; P15-L438 WeakPolarHBondContact CG-O 3.16Å
16S37.4Very low41.2Very low54 Ų5482.3 Ų82.338%0.37845%0.448SS..SBendtrans-6987.5167.824.50000109.2P14 N71P14-S16 PolarHBondContact O-N 3.19Å; S16-N71 PolarHBondContact OG-OD1 3.49Å
17T36.8Very low44.2Very low121 Ų12174.3 Ų74.374%0.74243%0.426SS*.  trans75.7126.5161.7-8.20000118.7P15P15-T17 VanDerWaalsContact C-N 3.32Å; P15-T17 PolarHBondContact O-N 3.04Å
18I39.8Very low46.8Very low122 Ų12270.2 Ų70.263%0.62641%0.411SS*.SBendtrans146.1112.3144.7-71.2159.6000105.3V72I18-V72 HydrophobicContact CD1-CG2 3.89Å
19L35.3Very low49.8Very low97 Ų9769 Ų6951%0.50840%0.404SS..  cis-129.4133.76-74.2124000108.8S21L19-S21 PolarHBondContact O-N 2.81Å
20S34.8Very low52.8Low134 Ų13468.3 Ų68.394%0.93740%0.399SS*.  trans-93.874158.868.40000109.1
21S33.7Very low55.7Low44 Ų4468.3 Ų68.331%0.30840%0.4SS..  trans-107.8125.715458.60000107.3L19 C23L19-S21 PolarHBondContact O-N 2.81Å; S21-C23 CarbonylContact O-C 3.59Å; S21-C23 PolarHBondContact O-N 2.88Å; S21-C23 PolarHBondContact OG-O 3.02Å; S21-C23 VanDerWaalsContact OG-O 3.14Å
22T39.6Very low58.6Low156 Ų15667.3 Ų67.396%0.95740%0.395SS*.SBendtrans-664.1174.140.50000113.2
23C40.4Very low61.5Low78 Ų7867.1 Ų67.153%0.52739%0.394SS..SBendtrans-100.8110161.653.10000108.9S21 T25S21-C23 CarbonylContact O-C 3.59Å; S21-C23 PolarHBondContact O-N 2.88Å; S21-C23 PolarHBondContact OG-O 3.02Å; S21-C23 VanDerWaalsContact OG-O 3.14Å; C23-T25 PolarHBondContact O-N 2.87Å
24H55Low64.1Low138 Ų13867.9 Ų67.964%0.63940%0.399SS*.  trans-68.5114.6164-60.9-69.7000107.2N436H24-N436 PolarHBondContact ND1-ND2 3.27Å
25T75.3Confident67.1Low63 Ų6365.8 Ų65.839%0.38738%0.384SS..  trans-87.3139.3166.876.40000108.2C23 A27 D28C23-T25 PolarHBondContact O-N 2.87Å; T25-A27 PolarHBondContact O-N 3.04Å; T25-D28 PolarHBondContact O-N 3.02Å; T25-D28 PolarHBondContact OG1-OD2 3.2Å
26E85.7Confident69.9Low130 Ų13063.4 Ų63.461%0.60737%0.368SS*.G310 helixtrans-57.3-31.2179.8-179.8165.5-166.400111.9D28 I29 K47E26-D28 VanDerWaalsContact C-N 3.25Å; E26-D28 PolarHBondContact O-N 2.84Å; E26-I29 HydrophobicContact CG-CD1 4.31Å; E26-I29 WeakPolarHBondContact O-CB 3.47Å; E26-I29 WeakPolarHBondContact O-CG1 3.31Å; E26-I29 PolarHBondContact O-N 2.82Å; E26-K47 HydrophobicContact CG-CD 3.74Å; E26-K47 WeakPolarHBondContact O-CB 3.46Å; E26-K47 IonicContact OE1-NZ 2.76Å; E26-K47 PolarHBondContact OE1-NZ 2.96Å
27A88.9Confident72.6Confident39 Ų3963.9 Ų63.932%0.32237%0.371SS..G310 helixtrans-59.3-28.9175.600000114.1T25 I29 D46 G48T25-A27 PolarHBondContact O-N 3.04Å; A27-I29 VanDerWaalsContact C-N 3.29Å; A27-I29 PolarHBondContact O-N 2.84Å; A27-D46 WeakPolarHBondContact O-CB 3.05Å; A27-D46 VanDerWaalsContact O-CG 3.28Å; A27-G48 PolarHBondContact O-N 3.12Å
28D88.1Confident75.3Confident17 Ų1760.3 Ų60.39%0.09135%0.35CS..G310 helixtrans-82.9-1.6-178.7-58.1-49.3000113.7T25 E26 I30 R50 N436T25-D28 PolarHBondContact O-N 3.02Å; T25-D28 PolarHBondContact OG1-OD2 3.2Å; E26-D28 VanDerWaalsContact C-N 3.25Å; E26-D28 PolarHBondContact O-N 2.84Å; D28-I30 PolarHBondContact O-N 3.49Å; D28-R50 IonicContact OD1-CZ 2.64Å; D28-R50 IonicContact OD1-NH1 2.65Å; D28-R50 PolarHBondContact OD1-NH1 3.13Å; D28-R50 VanDerWaalsContact OD1-NH1 3.1Å; D28-R50 IonicContact OD1-NH2 2.71Å; D28-R50 PolarHBondContact OD1-NH2 2.71Å; D28-N436 HydrophobicContact CB-CB 4.17Å; D28-N436 WeakPolarHBondContact O-CA 3.36Å; D28-N436 VanDerWaalsContact O-CB 3.23Å; D28-N436 WeakPolarHBondContact O-CB 3.35Å
29I93.1Very high77.9Confident48 Ų4854.5 Ų54.525%0.24632%0.32CS..SBendtrans-72.3122.3179.6-62.7176.8000109.4E26 A27 S31 D46 K47 T435E26-I29 HydrophobicContact CG-CD1 4.31Å; E26-I29 WeakPolarHBondContact O-CB 3.47Å; E26-I29 WeakPolarHBondContact O-CG1 3.31Å; E26-I29 PolarHBondContact O-N 2.82Å; A27-I29 VanDerWaalsContact C-N 3.29Å; A27-I29 PolarHBondContact O-N 2.84Å; I29-S31 PolarHBondContact O-N 2.88Å; I29-D46 CarbonylContact O-C 3.6Å; I29-D46 VanDerWaalsContact O-CA 3.27Å; I29-D46 WeakPolarHBondContact O-CA 3.46Å; I29-D46 WeakPolarHBondContact O-CB 2.96Å; I29-K47 HydrophobicContact CB-CD 4.07Å; I29-K47 HydrophobicContact CB-CG 4.05Å; I29-K47 HydrophobicContact CD1-CD 4.39Å; I29-K47 HydrophobicContact CG2-CD 4.44Å; I29-K47 HydrophobicContact CG2-CG 4.41Å; I29-K47 PolarHBondContact O-N 2.94Å; I29-T435 HydrophobicContact CD1-CG2 4.38Å; I29-T435 HydrophobicContact CG1-CG2 4.02Å
30I96Very high80.7Confident19 Ų1953.9 Ų53.910%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-69.4128.1178.1-60.9171.5000109.2D28 V33 T44 G45 A433 T435 L438D28-I30 PolarHBondContact O-N 3.49Å; I30-V33 HydrophobicContact CG2-CG2 3.65Å; I30-T44 HydrophobicContact CG2-CG2 4.44Å; I30-G45 WeakPolarHBondContact CA-O 3.32Å; I30-A433 HydrophobicContact CB-CB 4.04Å; I30-A433 HydrophobicContact CD1-CB 4.42Å; I30-A433 HydrophobicContact CG2-CB 3.71Å; I30-T435 PolarHBondContact N-O 2.8Å; I30-L438 HydrophobicContact CD1-CB 3.94Å
31S97.5Very high83.6Confident5 Ų547.5 Ų47.54%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-117.4-7-176.155.30000113.9I29 G45 D46 I95 H420I29-S31 PolarHBondContact O-N 2.88Å; S31-G45 PolarHBondContact N-O 2.89Å; S31-G45 PolarHBondContact OG-O 3.17Å; S31-D46 VanDerWaalsContact OG-C 3.31Å; S31-D46 WeakPolarHBondContact OG-CA 3.49Å; S31-D46 PolarHBondContact OG-O 2.67Å; S31-I95 VanDerWaalsContact CB-O 3.28Å; S31-I95 WeakPolarHBondContact CB-O 3.45Å; S31-I95 PolarHBondContact OG-O 2.75Å; S31-H420 VanDerWaalsContact C-CD2 3.47Å; S31-H420 PolarHBondContact O-CD2 3.42Å; S31-H420 PolarHBondContact O-CE1 3.48Å; S31-H420 PolarHBondContact O-ND1 2.84Å; S31-H420 PolarHBondContact O-NE2 3.14Å; S31-H420 VanDerWaalsContact O-NE2 3.12Å
32T98.3Very high86.6Confident4 Ų445.4 Ų45.43%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-163.3149.5171.5-172.10000110.6T44 G45 I95 I98T32-T44 WeakPolarHBondContact O-CA 3.43Å; T32-G45 PolarHBondContact N-O 3.26Å; T32-G45 PolarHBondContact O-N 3.39Å; T32-I95 HydrophobicContact CG2-CB 4.46Å; T32-I95 HydrophobicContact CG2-CG2 3.83Å; T32-I98 HydrophobicContact CG2-CB 4.28Å; T32-I98 HydrophobicContact CG2-CD1 3.8Å; T32-I98 HydrophobicContact CG2-CG1 3.74Å
33V98.1Very high89.4Confident2 Ų238 Ų381%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-141.6130.4178.2-170.10000109.2I30 L42 A43 T44 H420 T422 A431 A433 L438I30-V33 HydrophobicContact CG2-CG2 3.65Å; V33-L42 HydrophobicContact CG1-CD1 3.65Å; V33-L42 HydrophobicContact CG1-CG 4.43Å; V33-A43 CarbonylContact C-O 3.5Å; V33-A43 WeakPolarHBondContact CA-O 3.48Å; V33-T44 HydrophobicContact CG1-CG2 4.12Å; V33-T44 HydrophobicContact CG2-CG2 4.13Å; V33-H420 HydrophobicContact CG2-CB 4.29Å; V33-T422 HydrophobicContact CB-CG2 4.15Å; V33-T422 HydrophobicContact CG1-CG2 3.52Å; V33-A431 HydrophobicContact CG1-CB 4.15Å; V33-A433 HydrophobicContact CG2-CB 3.82Å; V33-L438 HydrophobicContact CG1-CD1 3.98Å; V33-L438 HydrophobicContact CG2-CD1 4.12Å
34E98.3Very high92.2Very high41 Ų4134.7 Ų34.719%0.19219%0.187CC..EExtended strand (participates in β ladder)trans-149127.3-177.2-171.877.2154.800112.2A43 I98 K99 W100E34-A43 PolarHBondContact N-O 2.71Å; E34-A43 PolarHBondContact O-N 2.74Å; E34-I98 HydrophobicContact CB-CG2 4.47Å; E34-K99 WeakPolarHBondContact OE1-CD 3.38Å; E34-K99 WeakPolarHBondContact OE1-CE 3.45Å; E34-K99 IonicContact OE1-NZ 3.32Å; E34-K99 PolarHBondContact OE1-NZ 3.31Å; E34-W100 PolarHBondContact O-NE1 3.1Å; E34-W100 VanDerWaalsContact O-NE1 3.1Å
35F97.9Very high94.2Very high12 Ų1228.2 Ų28.25%0.05316%0.157CC..EExtended strand (participates in β ladder)trans-74.3146.3167.4-79.7-74.5000111.3L41 L42 Y70 W100 T422 H424 I429 A431F35-L41 WeakPolarHBondContact CA-O 3.35Å; F35-L42 HydrophobicContact CD1-CB 3.97Å; F35-L42 HydrophobicContact CD1-CD1 3.87Å; F35-L42 HydrophobicContact CD1-CG 4.44Å; F35-L42 HydrophobicContact CD2-CD1 4.01Å; F35-L42 HydrophobicContact CE1-CB 3.83Å; F35-L42 HydrophobicContact CE1-CD1 3.84Å; F35-L42 HydrophobicContact CE1-CD2 4.14Å; F35-L42 HydrophobicContact CE1-CG 4.16Å; F35-L42 HydrophobicContact CE2-CD1 4.01Å; F35-L42 HydrophobicContact CG-CD1 3.94Å; F35-L42 HydrophobicContact CZ-CD1 3.92Å; F35-L42 HydrophobicContact CZ-CD2 4.11Å; F35-L42 HydrophobicContact CZ-CG 4.43Å; F35-Y70 AromaticContact CE1-CE1 3.83Å; F35-Y70 HydrophobicContact CE1-CE1 3.83Å; F35-Y70 HydrophobicContact CE1-CE2 4.42Å; F35-Y70 AromaticContact CE1-CZ 3.67Å; F35-W100 VanDerWaalsContact C-CD1 3.46Å; F35-W100 VanDerWaalsContact O-CD1 3.24Å; F35-T422 HydrophobicContact CD2-CG2 3.47Å; F35-T422 VanDerWaalsContact CD2-CG2 3.47Å; F35-T422 HydrophobicContact CE2-CG2 3.66Å; F35-T422 HydrophobicContact CG-CG2 4.43Å; F35-H424 HydrophobicContact CD2-CB 4.36Å; F35-H424 HydrophobicContact CE2-CB 4.14Å; F35-H424 HydrophobicContact CZ-CB 4.23Å; F35-I429 HydrophobicContact CZ-CG2 4.21Å; F35-A431 HydrophobicContact CE2-CB 4.06Å; F35-A431 HydrophobicContact CZ-CB 4.2Å
36N96.9Very high95.2Very high8 Ų825.7 Ų25.74%0.04314%0.141CC..  trans-71.3169.9165.479-25.7000110.8T38 G39 E40 L41 W100N36-T38 PolarHBondContact ND2-OG1 3.41Å; N36-T38 PolarHBondContact O-N 2.82Å; N36-T38 PolarHBondContact OD1-OG1 2.99Å; N36-G39 PolarHBondContact O-N 2.57Å; N36-G39 VanDerWaalsContact OD1-CA 3.3Å; N36-G39 WeakPolarHBondContact OD1-CA 3.5Å; N36-G39 PolarHBondContact OD1-N 3.08Å; N36-E40 PolarHBondContact OD1-N 3.2Å; N36-E40 VanDerWaalsContact OD1-N 3.11Å; N36-L41 HydrophobicContact CB-CB 4.09Å; N36-L41 PolarHBondContact N-O 2.82Å; N36-L41 PolarHBondContact OD1-N 2.77Å; N36-L41 PolarHBondContact OD1-O 2.88Å; N36-W100 VanDerWaalsContact CA-CD1 3.48Å; N36-W100 HydrophobicContact CB-CB 4.24Å; N36-W100 HydrophobicContact CB-CD2 3.63Å; N36-W100 HydrophobicContact CB-CE3 4.09Å; N36-W100 HydrophobicContact CB-CG 3.7Å; N36-W100 HydrophobicContact CB-CZ2 4.41Å
37S93.8Very high95.8Very high63 Ų6322.5 Ų22.544%0.44113%0.125SC..THydrogen-bonded Turntrans-61.9-26.5-175.956.20000114.3P425 H426S37-P425 VanDerWaalsContact O-CG 3.29Å; S37-P425 WeakPolarHBondContact O-CG 3.23Å; S37-H426 PolarHBondContact O-NE2 3.27Å
38T94Very high96.1Very high47 Ų4721 Ų2129%0.28811%0.114SC..THydrogen-bonded Turntrans-84-23175.966.40000112.5N36 E40N36-T38 PolarHBondContact ND2-OG1 3.41Å; N36-T38 PolarHBondContact O-N 2.82Å; N36-T38 PolarHBondContact OD1-OG1 2.99Å; T38-E40 WeakPolarHBondContact OG1-CB 3.46Å; T38-E40 WeakPolarHBondContact OG1-CG 3.47Å; T38-E40 PolarHBondContact OG1-N 2.72Å; T38-E40 PolarHBondContact OG1-OE2 2.88Å
39G94.2Very high96.5Very high0 Ų020.2 Ų20.20%011%0.11CC..SBendtrans78.9-0.6-170.700000114.3N36 L41 Y70 H424N36-G39 PolarHBondContact O-N 2.57Å; N36-G39 VanDerWaalsContact OD1-CA 3.3Å; N36-G39 WeakPolarHBondContact OD1-CA 3.5Å; N36-G39 PolarHBondContact OD1-N 3.08Å; G39-L41 VanDerWaalsContact C-N 3.3Å; G39-L41 PolarHBondContact O-N 2.92Å; G39-Y70 PolarHBondContact O-OH 3.11Å; G39-H424 WeakPolarHBondContact CA-NE2 3.33Å; G39-H424 PolarHBondContact O-CD2 2.79Å; G39-H424 PolarHBondContact O-NE2 3.02Å
40E94.2Very high96.8Very high84 Ų8421.4 Ų21.439%0.39311%0.111SC..SBendtrans-70.4-28.7177-65.7170.9145.100112.5N36 T38 Q55 R56N36-E40 PolarHBondContact OD1-N 3.2Å; N36-E40 VanDerWaalsContact OD1-N 3.11Å; T38-E40 WeakPolarHBondContact OG1-CB 3.46Å; T38-E40 WeakPolarHBondContact OG1-CG 3.47Å; T38-E40 PolarHBondContact OG1-N 2.72Å; T38-E40 PolarHBondContact OG1-OE2 2.88Å; E40-Q55 WeakPolarHBondContact O-CA 3.08Å; E40-R56 PolarHBondContact O-N 2.86Å
41L96.4Very high96.9Very high0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-113.3141.3177.2-57.4-179.8000111F35 N36 G39 V53 F54 Q55 Y73 W100 Y108F35-L41 WeakPolarHBondContact CA-O 3.35Å; N36-L41 HydrophobicContact CB-CB 4.09Å; N36-L41 PolarHBondContact N-O 2.82Å; N36-L41 PolarHBondContact OD1-N 2.77Å; N36-L41 PolarHBondContact OD1-O 2.88Å; G39-L41 VanDerWaalsContact C-N 3.3Å; G39-L41 PolarHBondContact O-N 2.92Å; L41-V53 HydrophobicContact CB-CG1 4.24Å; L41-V53 HydrophobicContact CD1-CG1 4.39Å; L41-V53 HydrophobicContact CD2-CG1 4.23Å; L41-F54 CarbonylContact C-O 3.56Å; L41-F54 VanDerWaalsContact CA-O 3.28Å; L41-F54 WeakPolarHBondContact CA-O 3.2Å; L41-Q55 HydrophobicContact CD2-CB 3.63Å; L41-Q55 HydrophobicContact CD2-CG 3.77Å; L41-Y73 HydrophobicContact CD2-CD1 4.15Å; L41-Y73 HydrophobicContact CD2-CE1 4.41Å; L41-Y73 HydrophobicContact CD2-CG 4.49Å; L41-W100 HydrophobicContact CB-CH2 4.02Å; L41-W100 HydrophobicContact CB-CZ2 3.95Å; L41-W100 HydrophobicContact CD1-CH2 3.73Å; L41-W100 HydrophobicContact CD1-CZ2 4.49Å; L41-W100 HydrophobicContact CD1-CZ3 4.01Å; L41-Y108 HydrophobicContact CD1-CD1 3.61Å; L41-Y108 HydrophobicContact CD1-CD2 3.76Å; L41-Y108 HydrophobicContact CD1-CE1 3.83Å; L41-Y108 HydrophobicContact CD1-CE2 3.98Å; L41-Y108 HydrophobicContact CD1-CG 3.57Å
42L97.6Very high96.9Very high0 Ų021.3 Ų21.30%011%0.111CC..EExtended strand (participates in β ladder)trans-125.5125173.4176.460.6000108.1V33 F35 V53 F54 Y70 T422 A431 L438 I440V33-L42 HydrophobicContact CG1-CD1 3.65Å; V33-L42 HydrophobicContact CG1-CG 4.43Å; F35-L42 HydrophobicContact CD1-CB 3.97Å; F35-L42 HydrophobicContact CD1-CD1 3.87Å; F35-L42 HydrophobicContact CD1-CG 4.44Å; F35-L42 HydrophobicContact CD2-CD1 4.01Å; F35-L42 HydrophobicContact CE1-CB 3.83Å; F35-L42 HydrophobicContact CE1-CD1 3.84Å; F35-L42 HydrophobicContact CE1-CD2 4.14Å; F35-L42 HydrophobicContact CE1-CG 4.16Å; F35-L42 HydrophobicContact CE2-CD1 4.01Å; F35-L42 HydrophobicContact CG-CD1 3.94Å; F35-L42 HydrophobicContact CZ-CD1 3.92Å; F35-L42 HydrophobicContact CZ-CD2 4.11Å; F35-L42 HydrophobicContact CZ-CG 4.43Å; L42-V53 CarbonylContact O-C 3.58Å; L42-V53 WeakPolarHBondContact O-CA 3.33Å; L42-F54 HydrophobicContact CB-CB 4.38Å; L42-F54 PolarHBondContact N-O 2.95Å; L42-F54 WeakPolarHBondContact O-CD2 3.45Å; L42-F54 PolarHBondContact O-N 2.65Å; L42-Y70 HydrophobicContact CB-CD1 3.94Å; L42-Y70 HydrophobicContact CB-CE1 4.08Å; L42-T422 HydrophobicContact CD1-CG2 3.83Å; L42-A431 HydrophobicContact CD1-CB 4.13Å; L42-A431 HydrophobicContact CD2-CB 3.76Å; L42-L438 HydrophobicContact CD2-CD2 3.92Å; L42-I440 HydrophobicContact CD2-CD1 4.01Å; L42-I440 HydrophobicContact CD2-CG1 4.41Å
43A98.3Very high96.8Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-107.4143.9175.300000111.2V33 E34 V52 V53 I98 W100V33-A43 CarbonylContact C-O 3.5Å; V33-A43 WeakPolarHBondContact CA-O 3.48Å; E34-A43 PolarHBondContact N-O 2.71Å; E34-A43 PolarHBondContact O-N 2.74Å; A43-V52 CarbonylContact C-O 3.56Å; A43-V52 WeakPolarHBondContact CA-O 3.48Å; A43-V53 HydrophobicContact CB-CG2 4.3Å; A43-I98 HydrophobicContact CB-CD1 4.11Å; A43-I98 HydrophobicContact CB-CG2 4.08Å; A43-W100 HydrophobicContact CB-CZ2 3.65Å
44T98.3Very high96.7Very high9 Ų922.1 Ų22.16%0.05511%0.114CC..EExtended strand (participates in β ladder)trans-123.2141.4165.959.50000110I30 T32 V33 V51 V52 F54 L438I30-T44 HydrophobicContact CG2-CG2 4.44Å; T32-T44 WeakPolarHBondContact O-CA 3.43Å; V33-T44 HydrophobicContact CG1-CG2 4.12Å; V33-T44 HydrophobicContact CG2-CG2 4.13Å; T44-V51 WeakPolarHBondContact O-CA 3.3Å; T44-V52 PolarHBondContact N-O 3.46Å; T44-V52 PolarHBondContact O-N 2.89Å; T44-V52 PolarHBondContact OG1-O 2.86Å; T44-F54 HydrophobicContact CG2-CE2 3.99Å; T44-L438 HydrophobicContact CG2-CD1 4.05Å; T44-L438 HydrophobicContact CG2-CD2 3.77Å; T44-L438 HydrophobicContact CG2-CG 4.44Å
45G98Very high96.5Very high1 Ų122.8 Ų22.81%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-111.1150.7165.100000110.3I30 S31 T32 R50I30-G45 WeakPolarHBondContact CA-O 3.32Å; S31-G45 PolarHBondContact N-O 2.89Å; S31-G45 PolarHBondContact OG-O 3.17Å; T32-G45 PolarHBondContact N-O 3.26Å; T32-G45 PolarHBondContact O-N 3.39Å; G45-R50 WeakPolarHBondContact CA-O 3.42Å
46D96.4Very high96.1Very high10 Ų1024 Ų245%0.05312%0.122CC..EExtended strand (participates in β ladder)trans-123.1172.9178.36625.9000113.7A27 I29 S31 G48 G49 R50 I95A27-D46 WeakPolarHBondContact O-CB 3.05Å; A27-D46 VanDerWaalsContact O-CG 3.28Å; I29-D46 CarbonylContact O-C 3.6Å; I29-D46 VanDerWaalsContact O-CA 3.27Å; I29-D46 WeakPolarHBondContact O-CA 3.46Å; I29-D46 WeakPolarHBondContact O-CB 2.96Å; S31-D46 VanDerWaalsContact OG-C 3.31Å; S31-D46 WeakPolarHBondContact OG-CA 3.49Å; S31-D46 PolarHBondContact OG-O 2.67Å; D46-G48 PolarHBondContact O-N 2.89Å; D46-G48 VanDerWaalsContact OD1-C 3.24Å; D46-G48 WeakPolarHBondContact OD1-CA 3.22Å; D46-G48 PolarHBondContact OD1-N 2.92Å; D46-G49 PolarHBondContact O-N 3.04Å; D46-G49 PolarHBondContact OD1-N 3.3Å; D46-R50 PolarHBondContact N-O 3.44Å; D46-R50 PolarHBondContact OD1-N 3.31Å; D46-R50 IonicContact OD1-NE 3.83Å; D46-R50 WeakPolarHBondContact OD2-CB 3.41Å; D46-R50 IonicContact OD2-CZ 3.55Å; D46-R50 IonicContact OD2-NE 2.67Å; D46-R50 PolarHBondContact OD2-NE 3.03Å; D46-R50 IonicContact OD2-NH2 3.82Å; D46-R50 PolarHBondContact OD2-NH2 2.87Å; D46-I95 PolarHBondContact O-N 3.28Å
47K96.7Very high95.6Very high64 Ų6429.3 Ų29.328%0.27815%0.146SC..THydrogen-bonded Turntrans-62.4-27.8175.7-77.7-159.7169.1-166.40113.3E26 I29 G49 K94E26-K47 HydrophobicContact CG-CD 3.74Å; E26-K47 WeakPolarHBondContact O-CB 3.46Å; E26-K47 IonicContact OE1-NZ 2.76Å; E26-K47 PolarHBondContact OE1-NZ 2.96Å; I29-K47 HydrophobicContact CB-CD 4.07Å; I29-K47 HydrophobicContact CB-CG 4.05Å; I29-K47 HydrophobicContact CD1-CD 4.39Å; I29-K47 HydrophobicContact CG2-CD 4.44Å; I29-K47 HydrophobicContact CG2-CG 4.41Å; I29-K47 PolarHBondContact O-N 2.94Å; K47-G49 PolarHBondContact O-N 2.91Å; K47-K94 HydrophobicContact CG-CD 4.16Å; K47-K94 HydrophobicContact CG-CG 4.38Å; K47-K94 VanDerWaalsContact O-CA 3.31Å; K47-K94 WeakPolarHBondContact O-CA 3.39Å; K47-K94 PolarHBondContact O-N 2.69Å
48G96.3Very high94.7Very high8 Ų834 Ų348%0.08216%0.161CC..THydrogen-bonded Turntrans-84.213.3177.400000114.4A27 D46 R50 Q77 E93A27-G48 PolarHBondContact O-N 3.12Å; D46-G48 PolarHBondContact O-N 2.89Å; D46-G48 VanDerWaalsContact OD1-C 3.24Å; D46-G48 WeakPolarHBondContact OD1-CA 3.22Å; D46-G48 PolarHBondContact OD1-N 2.92Å; G48-R50 VanDerWaalsContact C-N 3.3Å; G48-R50 PolarHBondContact O-N 2.98Å; G48-Q77 PolarHBondContact O-NE2 2.79Å; G48-E93 VanDerWaalsContact C-CG 3.41Å
49G97.2Very high93.3Very high0 Ų037.1 Ų37.10%017%0.172CC..SBendtrans74.812.2174.400000115.6D46 K47 Q77 S78 H79 E93D46-G49 PolarHBondContact O-N 3.04Å; D46-G49 PolarHBondContact OD1-N 3.3Å; K47-G49 PolarHBondContact O-N 2.91Å; G49-Q77 VanDerWaalsContact C-NE2 3.27Å; G49-Q77 PolarHBondContact O-NE2 2.97Å; G49-S78 WeakPolarHBondContact O-CA 3.2Å; G49-S78 WeakPolarHBondContact O-CB 3.21Å; G49-S78 PolarHBondContact O-N 3.21Å; G49-H79 PolarHBondContact O-N 3.2Å; G49-H79 VanDerWaalsContact O-N 3.08Å; G49-E93 WeakPolarHBondContact CA-O 3.47Å
50R97.8Very high91.5Very high72 Ų7240 Ų4027%0.27219%0.193SC..EExtended strand (participates in β ladder)trans-91.7148.7178.5-56.8169.9-57.8-169.92.9110.5D28 G45 D46 G48 F76 Q77D28-R50 IonicContact OD1-CZ 2.64Å; D28-R50 IonicContact OD1-NH1 2.65Å; D28-R50 PolarHBondContact OD1-NH1 3.13Å; D28-R50 VanDerWaalsContact OD1-NH1 3.1Å; D28-R50 IonicContact OD1-NH2 2.71Å; D28-R50 PolarHBondContact OD1-NH2 2.71Å; G45-R50 WeakPolarHBondContact CA-O 3.42Å; D46-R50 PolarHBondContact N-O 3.44Å; D46-R50 PolarHBondContact OD1-N 3.31Å; D46-R50 IonicContact OD1-NE 3.83Å; D46-R50 WeakPolarHBondContact OD2-CB 3.41Å; D46-R50 IonicContact OD2-CZ 3.55Å; D46-R50 IonicContact OD2-NE 2.67Å; D46-R50 PolarHBondContact OD2-NE 3.03Å; D46-R50 IonicContact OD2-NH2 3.82Å; D46-R50 PolarHBondContact OD2-NH2 2.87Å; G48-R50 VanDerWaalsContact C-N 3.3Å; G48-R50 PolarHBondContact O-N 2.98Å; R50-F76 WeakPolarHBondContact CA-O 3.31Å; R50-Q77 VanDerWaalsContact CG-OE1 3.23Å
51V98.4Very high89.7Confident0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-116.3127.7169174.70000108.6T44 V53 T75 F76 I95 I98T44-V51 WeakPolarHBondContact O-CA 3.3Å; V51-V53 HydrophobicContact CG1-CG2 4.17Å; V51-T75 WeakPolarHBondContact O-CA 3.47Å; V51-F76 HydrophobicContact CB-CD2 4.26Å; V51-F76 HydrophobicContact CB-CE1 4.03Å; V51-F76 HydrophobicContact CB-CE2 3.7Å; V51-F76 HydrophobicContact CB-CZ 3.57Å; V51-F76 HydrophobicContact CG1-CE1 3.84Å; V51-F76 HydrophobicContact CG1-CE2 4.17Å; V51-F76 HydrophobicContact CG1-CZ 3.52Å; V51-F76 HydrophobicContact CG2-CE2 4.12Å; V51-F76 HydrophobicContact CG2-CZ 4.28Å; V51-F76 PolarHBondContact N-O 2.88Å; V51-F76 PolarHBondContact O-N 3.22Å; V51-I95 HydrophobicContact CG2-CG1 4.43Å; V51-I98 HydrophobicContact CG1-CD1 4.03Å; V51-I98 HydrophobicContact CG2-CD1 4.01Å
52V97.3Very high87.8Confident23 Ų2352.1 Ų52.114%0.13925%0.254CS..EExtended strand (participates in β ladder)trans-114.7123.7174.1-1730000108.1A43 T44 F54 V72 T75A43-V52 CarbonylContact C-O 3.56Å; A43-V52 WeakPolarHBondContact CA-O 3.48Å; T44-V52 PolarHBondContact N-O 3.46Å; T44-V52 PolarHBondContact O-N 2.89Å; T44-V52 PolarHBondContact OG1-O 2.86Å; V52-F54 HydrophobicContact CB-CE2 4.1Å; V52-F54 HydrophobicContact CB-CZ 4.28Å; V52-F54 HydrophobicContact CG1-CD2 4.35Å; V52-F54 HydrophobicContact CG1-CE1 4.09Å; V52-F54 HydrophobicContact CG1-CE2 3.7Å; V52-F54 HydrophobicContact CG1-CZ 3.55Å; V52-V72 HydrophobicContact CG1-CG1 4.26Å; V52-V72 HydrophobicContact CG1-CG2 4.48Å; V52-T75 HydrophobicContact CG2-CG2 4.07Å
53V97.1Very high85.6Confident0 Ų056.2 Ų56.20%027%0.274CS..EExtended strand (participates in β ladder)trans-107.3130175.9-178.30000108.3L41 L42 A43 V51 Y73 S74 F76 W100 L110 I123L41-V53 HydrophobicContact CB-CG1 4.24Å; L41-V53 HydrophobicContact CD1-CG1 4.39Å; L41-V53 HydrophobicContact CD2-CG1 4.23Å; L42-V53 CarbonylContact O-C 3.58Å; L42-V53 WeakPolarHBondContact O-CA 3.33Å; A43-V53 HydrophobicContact CB-CG2 4.3Å; V51-V53 HydrophobicContact CG1-CG2 4.17Å; V53-Y73 HydrophobicContact CB-CD1 4.45Å; V53-Y73 HydrophobicContact CG1-CD1 3.9Å; V53-Y73 WeakPolarHBondContact O-CA 3.47Å; V53-Y73 WeakPolarHBondContact O-CB 3.18Å; V53-Y73 PolarHBondContact O-N 3.29Å; V53-S74 PolarHBondContact N-O 3.27Å; V53-S74 PolarHBondContact O-N 2.7Å; V53-S74 VanDerWaalsContact O-N 3.1Å; V53-F76 HydrophobicContact CG2-CE1 4.34Å; V53-W100 HydrophobicContact CG1-CH2 3.86Å; V53-W100 HydrophobicContact CG1-CZ2 4.14Å; V53-W100 HydrophobicContact CG2-CH2 4.18Å; V53-W100 HydrophobicContact CG2-CZ2 4.42Å; V53-L110 HydrophobicContact CG2-CD2 4.34Å; V53-I123 HydrophobicContact CG2-CD1 3.74Å
54F95.6Very high83.1Confident22 Ų2260 Ų6010%0.09630%0.298CS..EExtended strand (participates in β ladder)trans-108.7139.6174.5-53.2-96.1000109.5L41 L42 T44 V52 Y70 N71 V72 L438L41-F54 CarbonylContact C-O 3.56Å; L41-F54 VanDerWaalsContact CA-O 3.28Å; L41-F54 WeakPolarHBondContact CA-O 3.2Å; L42-F54 HydrophobicContact CB-CB 4.38Å; L42-F54 PolarHBondContact N-O 2.95Å; L42-F54 WeakPolarHBondContact O-CD2 3.45Å; L42-F54 PolarHBondContact O-N 2.65Å; T44-F54 HydrophobicContact CG2-CE2 3.99Å; V52-F54 HydrophobicContact CB-CE2 4.1Å; V52-F54 HydrophobicContact CB-CZ 4.28Å; V52-F54 HydrophobicContact CG1-CD2 4.35Å; V52-F54 HydrophobicContact CG1-CE1 4.09Å; V52-F54 HydrophobicContact CG1-CE2 3.7Å; V52-F54 HydrophobicContact CG1-CZ 3.55Å; F54-Y70 HydrophobicContact CB-CD1 4.27Å; F54-N71 CarbonylContact C-O 3.57Å; F54-N71 WeakPolarHBondContact CA-O 3.42Å; F54-V72 HydrophobicContact CD1-CG2 4Å; F54-V72 HydrophobicContact CE1-CG2 3.71Å; F54-L438 HydrophobicContact CD2-CD2 4.26Å; F54-L438 HydrophobicContact CE2-CD2 3.84Å; F54-L438 HydrophobicContact CZ-CD2 4.2Å
55Q93.6Very high80.8Confident56 Ų5667.2 Ų67.226%0.26233%0.331SS..EExtended strand (participates in β ladder)trans-112.3136.1173.7-176.3179.449.900109.6E40 L41 Y70 N71 Y73E40-Q55 WeakPolarHBondContact O-CA 3.08Å; L41-Q55 HydrophobicContact CD2-CB 3.63Å; L41-Q55 HydrophobicContact CD2-CG 3.77Å; Q55-Y70 WeakPolarHBondContact O-CA 3.18Å; Q55-N71 PolarHBondContact N-O 3.24Å; Q55-N71 PolarHBondContact O-N 3.31Å; Q55-Y73 HydrophobicContact CB-CD2 3.79Å; Q55-Y73 HydrophobicContact CB-CG 3.77Å; Q55-Y73 HydrophobicContact CG-CD2 4.33Å
56R90.7Very high78.7Confident38 Ų3873.4 Ų73.414%0.14335%0.354CS..EExtended strand (participates in β ladder)trans-70.8128.2173.5-172.3172.8171.5-177.3-6110E40 Q58 Y70 E427E40-R56 PolarHBondContact O-N 2.86Å; R56-Q58 PolarHBondContact O-N 2.87Å; R56-Y70 HydrophobicContact CB-CD1 4.07Å; R56-Y70 HydrophobicContact CB-CE1 3.71Å; R56-Y70 HydrophobicContact CB-CE2 4.18Å; R56-Y70 HydrophobicContact CB-CG 4.45Å; R56-Y70 HydrophobicContact CG-CE2 4.12Å; R56-E427 IonicContact CZ-OE1 3.42Å; R56-E427 IonicContact CZ-OE2 3.61Å; R56-E427 IonicContact NH1-OE1 3.72Å; R56-E427 PolarHBondContact NH1-OE1 3.33Å; R56-E427 IonicContact NH1-OE2 3.29Å; R56-E427 PolarHBondContact NH1-OE2 3.47Å; R56-E427 VanDerWaalsContact NH1-OE2 3.14Å; R56-E427 IonicContact NH2-OE1 2.75Å; R56-E427 PolarHBondContact NH2-OE1 2.73Å; R56-E427 VanDerWaalsContact NH2-OE1 3.15Å; R56-E427 IonicContact NH2-OE2 2.8Å; R56-E427 PolarHBondContact NH2-OE2 2.81Å; R56-E427 VanDerWaalsContact NH2-OE2 3.09Å
57E85.8Confident77.3Confident118 Ų11875.2 Ų75.255%0.55136%0.36SS*.PPolyproline II helixtrans-60.4130.9172.3-167.7178-163.800110.6G68 E69E57-G68 WeakPolarHBondContact O-CA 3.12Å; E57-E69 PolarHBondContact N-O 2.9Å
58Q74.9Confident76Confident162 Ų16272.4 Ų72.476%0.75735%0.35SS*.PPolyproline II helixtrans-71.2144.8177.9-66.1-173.54.500110.8R56 S60R56-Q58 PolarHBondContact O-N 2.87Å; Q58-S60 PolarHBondContact O-N 2.78Å; Q58-S60 VanDerWaalsContact O-N 3.12Å
59E64.1Low75.4Confident113 Ų11375.1 Ų75.153%0.52836%0.36SS..PPolyproline II helixtrans-62.5116.8176.1-74.9-167.2158.800110.4
60S56.9Low75Confident61 Ų6175.6 Ų75.643%0.42736%0.362SS..PPolyproline II helixtrans-74.2142.9171.970.20000110.5Q58 T62 Q63Q58-S60 PolarHBondContact O-N 2.78Å; Q58-S60 VanDerWaalsContact O-N 3.12Å; S60-T62 PolarHBondContact O-N 2.91Å; S60-T62 PolarHBondContact OG-OG1 3.43Å; S60-T62 VanDerWaalsContact OG-OG1 3.04Å; S60-Q63 CarbonylContact O-C 3.56Å; S60-Q63 PolarHBondContact O-N 3.32Å
61K56.1Low74.5Confident214 Ų21475 Ų7593%0.9336%0.364SS*.THydrogen-bonded Turntrans-55-18.8174.8-69.1-176.3179.3178.50113.5
62T56.1Low74.1Confident123 Ų12377.9 Ų77.976%0.75538%0.381SS*.THydrogen-bonded Turntrans-88.5-16.2-178.248.80000113.7S60S60-T62 PolarHBondContact O-N 2.91Å; S60-T62 PolarHBondContact OG-OG1 3.43Å; S60-T62 VanDerWaalsContact OG-OG1 3.04Å
63Q52Low73.9Confident87 Ų8778 Ų7841%0.40738%0.379SS..  trans-13871.4174-66.6-162.916.700112.3S60 H65S60-Q63 CarbonylContact O-C 3.56Å; S60-Q63 PolarHBondContact O-N 3.32Å; Q63-H65 PolarHBondContact O-N 2.96Å
64P45.3Very low73.7Confident80 Ų8078.5 Ų78.552%0.51938%0.383SS..THydrogen-bonded Turntrans-58.6139.6167.626.5-31.6000108.7
65H49.6Very low73.7Confident159 Ų15981 Ų8174%0.73640%0.4SS*.THydrogen-bonded Turntrans89.23.6-179.9-42.1-62000118.2Q63Q63-H65 PolarHBondContact O-N 2.96Å
66R54.8Low73.8Confident132 Ų13279.3 Ų79.350%0.49839%0.392SS..  trans-92100.8161.6-75.7-162.4-176178.311.4109.4G68R66-G68 PolarHBondContact O-N 2.86Å; R66-G68 VanDerWaalsContact O-N 3.11Å
67R66.1Low74.2Confident47 Ų4781.3 Ų81.318%0.17740%0.403CS..PPolyproline II helixtrans-50.5124.4159.6-69.2-165.2-179.5-162.95107.6R13 E427 V445R13-R67 PolarHBondContact NH1-O 3.04Å; R13-R67 PolarHBondContact NH2-O 2.87Å; R67-E427 IonicContact CZ-OE2 2.76Å; R67-E427 IonicContact NE-OE2 3.96Å; R67-E427 PolarHBondContact NE-OE2 3.31Å; R67-E427 IonicContact NH1-OE2 2.73Å; R67-E427 PolarHBondContact NH1-OE2 3.46Å; R67-E427 IonicContact NH2-OE2 3.07Å; R67-V445 HydrophobicContact CG-CG2 4.5Å
68G70.8Confident74.8Confident6 Ų675.8 Ų75.86%0.06238%0.377CS..PPolyproline II helixtrans-57.3151-174.900000113.6R13 E57 R66R13-G68 PolarHBondContact NH1-O 2.72Å; E57-G68 WeakPolarHBondContact O-CA 3.12Å; R66-G68 PolarHBondContact O-N 2.86Å; R66-G68 VanDerWaalsContact O-N 3.11Å
69E83.4Confident75.9Confident64 Ų6468.1 Ų68.130%0.29934%0.342SS..PPolyproline II helixtrans-80.1147.7168.1-66.9-179.4179.200109.2E57 R388E57-E69 PolarHBondContact N-O 2.9Å; E69-R388 IonicContact OE1-NH2 3.41Å
70Y88.4Confident77.4Confident11 Ų1169 Ų694%0.04335%0.346CS..EExtended strand (participates in β ladder)trans-87.2111.4174.3-77.7-96.6000108F35 G39 L42 F54 Q55 R56 H424 I429 I440F35-Y70 AromaticContact CE1-CE1 3.83Å; F35-Y70 HydrophobicContact CE1-CE1 3.83Å; F35-Y70 HydrophobicContact CE1-CE2 4.42Å; F35-Y70 AromaticContact CE1-CZ 3.67Å; G39-Y70 PolarHBondContact O-OH 3.11Å; L42-Y70 HydrophobicContact CB-CD1 3.94Å; L42-Y70 HydrophobicContact CB-CE1 4.08Å; F54-Y70 HydrophobicContact CB-CD1 4.27Å; Q55-Y70 WeakPolarHBondContact O-CA 3.18Å; R56-Y70 HydrophobicContact CB-CD1 4.07Å; R56-Y70 HydrophobicContact CB-CE1 3.71Å; R56-Y70 HydrophobicContact CB-CE2 4.18Å; R56-Y70 HydrophobicContact CB-CG 4.45Å; R56-Y70 HydrophobicContact CG-CE2 4.12Å; Y70-H424 PolarHBondContact OH-CD2 2.85Å; Y70-H424 VanDerWaalsContact OH-CD2 3.26Å; Y70-I429 HydrophobicContact CE2-CD1 4.49Å; Y70-I429 HydrophobicContact CE2-CG2 4.36Å; Y70-I440 HydrophobicContact CD2-CD1 3.91Å; Y70-I440 HydrophobicContact CD2-CG2 4.46Å; Y70-I440 HydrophobicContact CG-CD1 3.97Å
71N87.7Confident79.2Confident59 Ų5969.6 Ų69.632%0.31635%0.349SS..EExtended strand (participates in β ladder)trans-106.1153.9179.4-66.4-59.8000110S16 F54 Q55 Y73S16-N71 PolarHBondContact OG-OD1 3.49Å; F54-N71 CarbonylContact C-O 3.57Å; F54-N71 WeakPolarHBondContact CA-O 3.42Å; Q55-N71 PolarHBondContact N-O 3.24Å; Q55-N71 PolarHBondContact O-N 3.31Å; N71-Y73 PolarHBondContact O-N 3.23Å
72V89.4Confident81Confident60 Ų6063.3 Ų63.336%0.36432%0.322SS..EExtended strand (participates in β ladder)trans-58.9124.3177.6-179.50000109.4I18 V52 F54I18-V72 HydrophobicContact CD1-CG2 3.89Å; V52-V72 HydrophobicContact CG1-CG1 4.26Å; V52-V72 HydrophobicContact CG1-CG2 4.48Å; F54-V72 HydrophobicContact CD1-CG2 4Å; F54-V72 HydrophobicContact CE1-CG2 3.71Å
73Y92.6Very high82.6Confident25 Ų2561.8 Ų61.810%0.09831%0.306CS..EExtended strand (participates in β ladder)trans-108.7-40-178.2174.5-108.1000111.6L41 V53 Q55 N71 I123 E125 V163L41-Y73 HydrophobicContact CD2-CD1 4.15Å; L41-Y73 HydrophobicContact CD2-CE1 4.41Å; L41-Y73 HydrophobicContact CD2-CG 4.49Å; V53-Y73 HydrophobicContact CB-CD1 4.45Å; V53-Y73 HydrophobicContact CG1-CD1 3.9Å; V53-Y73 WeakPolarHBondContact O-CA 3.47Å; V53-Y73 WeakPolarHBondContact O-CB 3.18Å; V53-Y73 PolarHBondContact O-N 3.29Å; Q55-Y73 HydrophobicContact CB-CD2 3.79Å; Q55-Y73 HydrophobicContact CB-CG 3.77Å; Q55-Y73 HydrophobicContact CG-CD2 4.33Å; N71-Y73 PolarHBondContact O-N 3.23Å; Y73-I123 HydrophobicContact CD1-CG2 4.46Å; Y73-I123 HydrophobicContact CE1-CG2 3.74Å; Y73-E125 HydrophobicContact CE2-CG 4.41Å; Y73-E125 WeakPolarHBondContact OH-CG 3.44Å; Y73-E125 PolarHBondContact OH-OE1 2.86Å; Y73-V163 HydrophobicContact CD1-CG1 4.19Å; Y73-V163 HydrophobicContact CD2-CG2 4Å; Y73-V163 HydrophobicContact CE1-CG1 3.67Å; Y73-V163 HydrophobicContact CE1-CG2 4.42Å; Y73-V163 HydrophobicContact CE2-CG1 4.28Å; Y73-V163 HydrophobicContact CE2-CG2 3.51Å
74S93.8Very high84.2Confident11 Ų1159.6 Ų59.68%0.07730%0.296CS..EExtended strand (participates in β ladder)trans-154.5143.4175.3-175.10000110.6V53V53-S74 PolarHBondContact N-O 3.27Å; V53-S74 PolarHBondContact O-N 2.7Å; V53-S74 VanDerWaalsContact O-N 3.1Å
75T95Very high86.2Confident74 Ų7465 Ų6545%0.45431%0.308SS..EExtended strand (participates in β ladder)trans-131.5133.1171.3-59.10000108.9V51 V52V51-T75 WeakPolarHBondContact O-CA 3.47Å; V52-T75 HydrophobicContact CG2-CG2 4.07Å
76F96.6Very high87.9Confident21 Ų2165.5 Ų65.59%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-150.9151.817857.2-87.2000111.9R50 V51 V53 S78 L110 W121 I123 A165R50-F76 WeakPolarHBondContact CA-O 3.31Å; V51-F76 HydrophobicContact CB-CD2 4.26Å; V51-F76 HydrophobicContact CB-CE1 4.03Å; V51-F76 HydrophobicContact CB-CE2 3.7Å; V51-F76 HydrophobicContact CB-CZ 3.57Å; V51-F76 HydrophobicContact CG1-CE1 3.84Å; V51-F76 HydrophobicContact CG1-CE2 4.17Å; V51-F76 HydrophobicContact CG1-CZ 3.52Å; V51-F76 HydrophobicContact CG2-CE2 4.12Å; V51-F76 HydrophobicContact CG2-CZ 4.28Å; V51-F76 PolarHBondContact N-O 2.88Å; V51-F76 PolarHBondContact O-N 3.22Å; V53-F76 HydrophobicContact CG2-CE1 4.34Å; F76-S78 PolarHBondContact O-N 3.4Å; F76-L110 HydrophobicContact CZ-CD1 4.48Å; F76-W121 AromaticContact CD2-CD2 3.86Å; F76-W121 HydrophobicContact CD2-CD2 3.86Å; F76-W121 AromaticContact CD2-CE3 3.63Å; F76-W121 HydrophobicContact CD2-CE3 3.63Å; F76-W121 AromaticContact CD2-CH2 3.91Å; F76-W121 HydrophobicContact CD2-CH2 3.91Å; F76-W121 HydrophobicContact CD2-CZ2 4.17Å; F76-W121 AromaticContact CD2-CZ3 3.63Å; F76-W121 HydrophobicContact CD2-CZ3 3.63Å; F76-W121 HydrophobicContact CE2-CB 4.35Å; F76-W121 AromaticContact CE2-CD2 3.33Å; F76-W121 HydrophobicContact CE2-CD2 3.33Å; F76-W121 AromaticContact CE2-CE2 3.68Å; F76-W121 AromaticContact CE2-CE3 3.54Å; F76-W121 HydrophobicContact CE2-CE3 3.54Å; F76-W121 AromaticContact CE2-CG 3.67Å; F76-W121 HydrophobicContact CE2-CG 3.67Å; F76-W121 HydrophobicContact CE2-CH2 4.34Å; F76-W121 HydrophobicContact CE2-CZ2 4.22Å; F76-W121 HydrophobicContact CE2-CZ3 4.03Å; F76-W121 HydrophobicContact CG-CE3 4.44Å; F76-W121 HydrophobicContact CG-CZ3 4.39Å; F76-W121 HydrophobicContact CZ-CB 4.27Å; F76-W121 HydrophobicContact CZ-CD2 4.11Å; F76-W121 HydrophobicContact CZ-CE3 4.29Å; F76-W121 HydrophobicContact CZ-CG 4.06Å; F76-I123 HydrophobicContact CE1-CD1 4.11Å; F76-I123 HydrophobicContact CE1-CG1 4.39Å; F76-A165 HydrophobicContact CB-CB 3.99Å; F76-A165 HydrophobicContact CD1-CB 3.3Å; F76-A165 HydrophobicContact CD2-CB 4.37Å; F76-A165 HydrophobicContact CE1-CB 3.78Å; F76-A165 HydrophobicContact CG-CB 3.64Å; F76-A165 HydrophobicContact CZ-CB 4.48Å
77Q97.9Very high89.3Confident80 Ų8065.2 Ų65.237%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-75.8113.8170.7-167.667.242.200108.4G48 G49 R50 H79 E80 W121G48-Q77 PolarHBondContact O-NE2 2.79Å; G49-Q77 VanDerWaalsContact C-NE2 3.27Å; G49-Q77 PolarHBondContact O-NE2 2.97Å; R50-Q77 VanDerWaalsContact CG-OE1 3.23Å; Q77-H79 PolarHBondContact NE2-O 2.94Å; Q77-E80 HydrophobicContact CG-CG 3.96Å; Q77-W121 WeakPolarHBondContact O-CH2 3.28Å
78S98.3Very high90.4Very high2 Ų267.6 Ų67.61%0.01434%0.341CS..  trans-86.3-49-179.4174.50000111.4G49 F76 S112 K119 W121G49-S78 WeakPolarHBondContact O-CA 3.2Å; G49-S78 WeakPolarHBondContact O-CB 3.21Å; G49-S78 PolarHBondContact O-N 3.21Å; F76-S78 PolarHBondContact O-N 3.4Å; S78-S112 PolarHBondContact OG-OG 3.28Å; S78-K119 VanDerWaalsContact O-CD 3.26Å; S78-K119 WeakPolarHBondContact O-CD 3.39Å; S78-K119 WeakPolarHBondContact O-CE 3.41Å; S78-K119 PolarHBondContact O-NZ 3.22Å; S78-W121 VanDerWaalsContact CA-CZ2 3.47Å; S78-W121 WeakPolarHBondContact O-CZ2 3.42Å; S78-W121 PolarHBondContact OG-NE1 3.15Å
79H98.2Very high91.2Very high1 Ų170.2 Ų70.21%0.00535%0.353CS..  trans-129149-177.5-70.472.2000109.7G49 Q77 E93 I95 T117G49-H79 PolarHBondContact O-N 3.2Å; G49-H79 VanDerWaalsContact O-N 3.08Å; Q77-H79 PolarHBondContact NE2-O 2.94Å; H79-E93 HydrophobicContact CB-CB 4.24Å; H79-E93 WeakPolarHBondContact CB-O 3.39Å; H79-I95 HydrophobicContact CB-CD1 4.09Å; H79-I95 WeakPolarHBondContact ND1-CD1 3.26Å; H79-T117 PolarHBondContact NE2-O 2.76Å
80E96.5Very high91.6Very high131 Ų13173.3 Ų73.361%0.61237%0.368SS*.  trans-121.1156.2173.9-68.5-175.3160.300107.4Q77 E82Q77-E80 HydrophobicContact CG-CG 3.96Å; E80-E82 PolarHBondContact O-N 2.84Å
81P95.1Very high91.8Very high75 Ų7573.6 Ų73.649%0.48737%0.37SS..  trans-58.8130.6177.5-6.58.5000110E93P81-E93 WeakPolarHBondContact CG-OE2 3.3Å
82E93.3Very high92.2Very high82 Ų8275.6 Ų75.638%0.38338%0.377SS..EExtended strand (participates in β ladder)trans-118.4158.2176.4-71.9174.1-163.700109.4E80 I91E80-E82 PolarHBondContact O-N 2.84Å; E82-I91 HydrophobicContact CB-CB 3.99Å; E82-I91 HydrophobicContact CB-CD1 4.2Å; E82-I91 HydrophobicContact CB-CG2 4.43Å; E82-I91 PolarHBondContact N-O 3.14Å; E82-I91 WeakPolarHBondContact O-CB 3.48Å; E82-I91 PolarHBondContact O-N 3.09Å
83F90.8Very high92.6Very high91 Ų9175.1 Ų75.140%0.39937%0.371SS..EExtended strand (participates in β ladder)trans-133122.4177.4-166.1-93.7000110.7Y85 E90F83-Y85 AromaticContact CD1-CD1 3.49Å; F83-Y85 HydrophobicContact CD1-CD1 3.49Å; F83-Y85 VanDerWaalsContact CD1-CD1 3.49Å; F83-Y85 HydrophobicContact CD1-CD2 4.3Å; F83-Y85 AromaticContact CD1-CE1 3.66Å; F83-Y85 HydrophobicContact CD1-CE1 3.66Å; F83-Y85 HydrophobicContact CD1-CE2 4.45Å; F83-Y85 AromaticContact CD1-CG 3.83Å; F83-Y85 HydrophobicContact CD1-CG 3.83Å; F83-Y85 AromaticContact CE1-CD1 3.78Å; F83-Y85 HydrophobicContact CE1-CD1 3.78Å; F83-Y85 HydrophobicContact CE1-CE1 4.21Å; F83-Y85 HydrophobicContact CE1-CG 4.31Å; F83-Y85 PolarHBondContact O-N 2.95Å; F83-E90 HydrophobicContact CD2-CB 4.07Å; F83-E90 HydrophobicContact CE2-CB 4.31Å
84D84.7Confident92.8Very high40 Ų4076.7 Ų76.721%0.21438%0.378CS..EExtended strand (participates in β ladder)trans-84.895.8170.6-175.1-22.4000108.7L86 K87 S88 L89D84-L86 PolarHBondContact O-N 3.09Å; D84-L86 WeakPolarHBondContact OD1-CB 3.43Å; D84-L86 PolarHBondContact OD1-N 2.79Å; D84-K87 HydrophobicContact CB-CB 4.37Å; D84-K87 PolarHBondContact O-N 3.32Å; D84-K87 PolarHBondContact OD1-N 3.44Å; D84-K87 VanDerWaalsContact OD1-N 3.09Å; D84-K87 VanDerWaalsContact OD2-CD 3.27Å; D84-K87 WeakPolarHBondContact OD2-CD 3.26Å; D84-K87 WeakPolarHBondContact OD2-CG 3.38Å; D84-K87 IonicContact OD2-NZ 3.48Å; D84-K87 PolarHBondContact OD2-NZ 3.38Å; D84-S88 WeakPolarHBondContact O-CA 3.45Å; D84-S88 PolarHBondContact O-N 3.47Å; D84-L89 HydrophobicContact CB-CB 4.39Å; D84-L89 PolarHBondContact N-O 3.19Å; D84-L89 PolarHBondContact O-N 2.93Å; D84-L89 VanDerWaalsContact O-N 3.1Å
85Y87.1Confident93Very high194 Ų19476.1 Ų76.176%0.76138%0.375SS*.THydrogen-bonded Turntrans-62.1-26.1179.8-64.6-79.9000114F83F83-Y85 AromaticContact CD1-CD1 3.49Å; F83-Y85 HydrophobicContact CD1-CD1 3.49Å; F83-Y85 VanDerWaalsContact CD1-CD1 3.49Å; F83-Y85 HydrophobicContact CD1-CD2 4.3Å; F83-Y85 AromaticContact CD1-CE1 3.66Å; F83-Y85 HydrophobicContact CD1-CE1 3.66Å; F83-Y85 HydrophobicContact CD1-CE2 4.45Å; F83-Y85 AromaticContact CD1-CG 3.83Å; F83-Y85 HydrophobicContact CD1-CG 3.83Å; F83-Y85 AromaticContact CE1-CD1 3.78Å; F83-Y85 HydrophobicContact CE1-CD1 3.78Å; F83-Y85 HydrophobicContact CE1-CE1 4.21Å; F83-Y85 HydrophobicContact CE1-CG 4.31Å; F83-Y85 PolarHBondContact O-N 2.95Å
86L85.7Confident93.2Very high169 Ų16973.3 Ų73.389%0.88536%0.357SS*.THydrogen-bonded Turntrans-78-32.7-178.9-64.4177.7000111.2D84D84-L86 PolarHBondContact O-N 3.09Å; D84-L86 WeakPolarHBondContact OD1-CB 3.43Å; D84-L86 PolarHBondContact OD1-N 2.79Å
87K83.4Confident93.3Very high127 Ų12774.3 Ų74.355%0.55236%0.361SS*.THydrogen-bonded Turntrans-98.4-4.9177.6-62.3-177.6-167.5149.30113.6D84 L89D84-K87 HydrophobicContact CB-CB 4.37Å; D84-K87 PolarHBondContact O-N 3.32Å; D84-K87 PolarHBondContact OD1-N 3.44Å; D84-K87 VanDerWaalsContact OD1-N 3.09Å; D84-K87 VanDerWaalsContact OD2-CD 3.27Å; D84-K87 WeakPolarHBondContact OD2-CD 3.26Å; D84-K87 WeakPolarHBondContact OD2-CG 3.38Å; D84-K87 IonicContact OD2-NZ 3.48Å; D84-K87 PolarHBondContact OD2-NZ 3.38Å; K87-L89 HydrophobicContact CB-CB 4.08Å; K87-L89 PolarHBondContact O-N 3.27Å
88S89.8Confident93.3Very high96 Ų9670.6 Ų70.667%0.67134%0.344SS*.THydrogen-bonded Turntrans50.543.6-170.4-59.40000111.6D84D84-S88 WeakPolarHBondContact O-CA 3.45Å; D84-S88 PolarHBondContact O-N 3.47Å
89L88.2Confident93.3Very high61 Ų6172 Ų7232%0.31935%0.35SS..EExtended strand (participates in β ladder)trans-115.9121.5-174.9-177.569.1000109.9D84 K87D84-L89 HydrophobicContact CB-CB 4.39Å; D84-L89 PolarHBondContact N-O 3.19Å; D84-L89 PolarHBondContact O-N 2.93Å; D84-L89 VanDerWaalsContact O-N 3.1Å; K87-L89 HydrophobicContact CB-CB 4.08Å; K87-L89 PolarHBondContact O-N 3.27Å
90E91.9Very high93.3Very high129 Ų12973 Ų7360%0.60335%0.353SS*.EExtended strand (participates in β ladder)trans-73.9134.5167.5-173.6170.2-168.500109.8F83F83-E90 HydrophobicContact CD2-CB 4.07Å; F83-E90 HydrophobicContact CE2-CB 4.31Å
91I92.7Very high93.4Very high17 Ų1768 Ų689%0.08733%0.331CS..EExtended strand (participates in β ladder)trans-108.9105.8176.2-59171.5000106.4E82 N114 K116E82-I91 HydrophobicContact CB-CB 3.99Å; E82-I91 HydrophobicContact CB-CD1 4.2Å; E82-I91 HydrophobicContact CB-CG2 4.43Å; E82-I91 PolarHBondContact N-O 3.14Å; E82-I91 WeakPolarHBondContact O-CB 3.48Å; E82-I91 PolarHBondContact O-N 3.09Å; I91-N114 WeakPolarHBondContact CG2-ND2 3.5Å; I91-K116 HydrophobicContact CD1-CB 4.28Å; I91-K116 HydrophobicContact CD1-CG 3.88Å; I91-K116 HydrophobicContact CG1-CG 3.96Å; I91-K116 HydrophobicContact CG2-CB 4.1Å; I91-K116 HydrophobicContact CG2-CG 3.89Å
92E95.1Very high93.3Very high101 Ų10167 Ų6747%0.47233%0.325SS..  trans-60.4144.4177.8-63.9-178-164.800111.5K94 N114E92-K94 HydrophobicContact CB-CB 4.28Å; E92-K94 PolarHBondContact O-N 3.42Å; E92-N114 PolarHBondContact O-ND2 2.95Å
93E97.1Very high93.1Very high50 Ų5067 Ų6723%0.23433%0.325CS..  trans-75.7-11.6172.865.5-90.7-142.200113.4G48 G49 H79 P81 I95G48-E93 VanDerWaalsContact C-CG 3.41Å; G49-E93 WeakPolarHBondContact CA-O 3.47Å; H79-E93 HydrophobicContact CB-CB 4.24Å; H79-E93 WeakPolarHBondContact CB-O 3.39Å; P81-E93 WeakPolarHBondContact CG-OE2 3.3Å; E93-I95 PolarHBondContact O-N 3.15Å
94K97.9Very high92.9Very high58 Ų5869.2 Ų69.225%0.25234%0.336SS..  trans-47.2126.6-178.5168.5174.5159.1-84.50112.4K47 E92 N96 N114K47-K94 HydrophobicContact CG-CD 4.16Å; K47-K94 HydrophobicContact CG-CG 4.38Å; K47-K94 VanDerWaalsContact O-CA 3.31Å; K47-K94 WeakPolarHBondContact O-CA 3.39Å; K47-K94 PolarHBondContact O-N 2.69Å; E92-K94 HydrophobicContact CB-CB 4.28Å; E92-K94 PolarHBondContact O-N 3.42Å; K94-N96 PolarHBondContact NZ-OD1 2.79Å; K94-N96 PolarHBondContact O-N 3.04Å; K94-N114 WeakPolarHBondContact O-CA 3.08Å; K94-N114 VanDerWaalsContact O-CB 3.28Å; K94-N114 WeakPolarHBondContact O-CB 3.32Å
95I98.5Very high93.3Very high0 Ų071.1 Ų71.10%035%0.346CS..  trans-79.1113.5177.1-50.7-56.5000109.6S31 T32 D46 V51 H79 E93 I98 T113S31-I95 VanDerWaalsContact CB-O 3.28Å; S31-I95 WeakPolarHBondContact CB-O 3.45Å; S31-I95 PolarHBondContact OG-O 2.75Å; T32-I95 HydrophobicContact CG2-CB 4.46Å; T32-I95 HydrophobicContact CG2-CG2 3.83Å; D46-I95 PolarHBondContact O-N 3.28Å; V51-I95 HydrophobicContact CG2-CG1 4.43Å; H79-I95 HydrophobicContact CB-CD1 4.09Å; H79-I95 WeakPolarHBondContact ND1-CD1 3.26Å; E93-I95 PolarHBondContact O-N 3.15Å; I95-I98 HydrophobicContact CG2-CD1 4.34Å; I95-I98 HydrophobicContact CG2-CG1 3.92Å; I95-T113 CarbonylContact C-O 3.58Å
96N98.1Very high93.6Very high14 Ų1466.1 Ų66.18%0.07535%0.345CS..  trans-79.5-42.8-179.5-71.2-15000112.8K94 T113 D115 I179K94-N96 PolarHBondContact NZ-OD1 2.79Å; K94-N96 PolarHBondContact O-N 3.04Å; N96-T113 HydrophobicContact CB-CG2 4.23Å; N96-T113 PolarHBondContact N-O 3.36Å; N96-D115 PolarHBondContact ND2-N 3.08Å; N96-D115 PolarHBondContact ND2-OD1 2.89Å; N96-I179 PolarHBondContact ND2-O 2.67Å
97K98.5Very high94Very high42 Ų4258.2 Ų58.218%0.18330%0.304CS..EExtended strand (participates in β ladder)trans-150.4147.3-178-66.9-66.1173.6-114.60111.5S112 T113 I182 E346K97-S112 WeakPolarHBondContact O-CA 3.44Å; K97-T113 HydrophobicContact CB-CG2 3.94Å; K97-T113 PolarHBondContact O-N 3.15Å; K97-T113 VanDerWaalsContact O-N 3.1Å; K97-I182 HydrophobicContact CB-CD1 4.19Å; K97-I182 HydrophobicContact CB-CG1 3.81Å; K97-E346 IonicContact NZ-OE1 3.15Å; K97-E346 PolarHBondContact NZ-OE1 3.29Å
98I98.7Very high94.7Very high2 Ų253.4 Ų53.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-119.6137.7167-67.5169.5000108.3T32 E34 A43 V51 I95 L110 L111T32-I98 HydrophobicContact CG2-CB 4.28Å; T32-I98 HydrophobicContact CG2-CD1 3.8Å; T32-I98 HydrophobicContact CG2-CG1 3.74Å; E34-I98 HydrophobicContact CB-CG2 4.47Å; A43-I98 HydrophobicContact CB-CD1 4.11Å; A43-I98 HydrophobicContact CB-CG2 4.08Å; V51-I98 HydrophobicContact CG1-CD1 4.03Å; V51-I98 HydrophobicContact CG2-CD1 4.01Å; I95-I98 HydrophobicContact CG2-CD1 4.34Å; I95-I98 HydrophobicContact CG2-CG1 3.92Å; I98-L110 HydrophobicContact CG2-CB 4.41Å; I98-L110 HydrophobicContact CG2-CD1 4.32Å; I98-L111 CarbonylContact C-O 3.58Å; I98-L111 VanDerWaalsContact CA-O 3.29Å; I98-L111 WeakPolarHBondContact CA-O 3.48Å
99K98.4Very high95.1Very high32 Ų3249.7 Ų49.714%0.13925%0.254CS..EExtended strand (participates in β ladder)trans-136.1123.1171.3-77.2-61.2-174.3177.10111.4E34 L110 L111 I182 V184 E232E34-K99 WeakPolarHBondContact OE1-CD 3.38Å; E34-K99 WeakPolarHBondContact OE1-CE 3.45Å; E34-K99 IonicContact OE1-NZ 3.32Å; E34-K99 PolarHBondContact OE1-NZ 3.31Å; K99-L110 CarbonylContact O-C 3.58Å; K99-L110 WeakPolarHBondContact O-CA 3.36Å; K99-L111 PolarHBondContact N-O 2.99Å; K99-L111 PolarHBondContact O-N 3.46Å; K99-I182 HydrophobicContact CB-CD1 4.16Å; K99-I182 HydrophobicContact CB-CG1 4.37Å; K99-I182 HydrophobicContact CG-CD1 4.23Å; K99-I182 HydrophobicContact CG-CG1 3.94Å; K99-I182 WeakPolarHBondContact CG-O 3.29Å; K99-V184 HydrophobicContact CB-CG2 4.39Å; K99-E232 IonicContact NZ-OE1 3.81Å
100W98.3Very high95.6Very high22 Ų2246.8 Ų46.88%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-74.1142.6175.5-68.195.7000111.2E34 F35 N36 L41 A43 V53 L110 I123E34-W100 PolarHBondContact O-NE1 3.1Å; E34-W100 VanDerWaalsContact O-NE1 3.1Å; F35-W100 VanDerWaalsContact C-CD1 3.46Å; F35-W100 VanDerWaalsContact O-CD1 3.24Å; N36-W100 VanDerWaalsContact CA-CD1 3.48Å; N36-W100 HydrophobicContact CB-CB 4.24Å; N36-W100 HydrophobicContact CB-CD2 3.63Å; N36-W100 HydrophobicContact CB-CE3 4.09Å; N36-W100 HydrophobicContact CB-CG 3.7Å; N36-W100 HydrophobicContact CB-CZ2 4.41Å; L41-W100 HydrophobicContact CB-CH2 4.02Å; L41-W100 HydrophobicContact CB-CZ2 3.95Å; L41-W100 HydrophobicContact CD1-CH2 3.73Å; L41-W100 HydrophobicContact CD1-CZ2 4.49Å; L41-W100 HydrophobicContact CD1-CZ3 4.01Å; A43-W100 HydrophobicContact CB-CZ2 3.65Å; V53-W100 HydrophobicContact CG1-CH2 3.86Å; V53-W100 HydrophobicContact CG1-CZ2 4.14Å; V53-W100 HydrophobicContact CG2-CH2 4.18Å; V53-W100 HydrophobicContact CG2-CZ2 4.42Å; W100-L110 HydrophobicContact CD2-CB 4.08Å; W100-L110 HydrophobicContact CD2-CD2 4.47Å; W100-L110 HydrophobicContact CE3-CB 3.82Å; W100-L110 HydrophobicContact CE3-CD2 4.2Å; W100-L110 HydrophobicContact CH2-CD2 3.72Å; W100-L110 HydrophobicContact CZ2-CD2 4.03Å; W100-L110 HydrophobicContact CZ3-CB 4.19Å; W100-L110 HydrophobicContact CZ3-CD2 3.79Å; W100-L110 HydrophobicContact CZ3-CG 4.49Å; W100-I123 HydrophobicContact CH2-CD1 4.18Å; W100-I123 HydrophobicContact CZ3-CD1 4.32Å
101L97.4Very high95.9Very high25 Ų2540.6 Ų40.613%0.13121%0.21CC..PPolyproline II helixtrans-88.6147.2165.5-82.368.2000109Q103 F109 L111 L120 V184 L204L101-Q103 PolarHBondContact O-N 3.05Å; L101-F109 HydrophobicContact CB-CB 3.96Å; L101-F109 HydrophobicContact CD2-CB 4.15Å; L101-F109 HydrophobicContact CG-CB 4.49Å; L101-F109 PolarHBondContact N-O 3.15Å; L101-L111 HydrophobicContact CD1-CD1 4.15Å; L101-L111 HydrophobicContact CD1-CG 3.79Å; L101-L120 HydrophobicContact CD1-CD1 4.06Å; L101-L120 HydrophobicContact CD2-CD1 4Å; L101-V184 HydrophobicContact CD1-CG2 4.07Å; L101-V184 HydrophobicContact CG-CG2 4.43Å; L101-L204 HydrophobicContact CD2-CD1 3.73Å; L101-L204 HydrophobicContact CD2-CD2 4.02Å
102P93.2Very high96.2Very high56 Ų5639.8 Ų39.836%0.36421%0.206SC..PPolyproline II helixtrans-55.9135.5170.3-2939.9000111.4Q104 L188P102-Q104 PolarHBondContact O-N 3.06Å; P102-L188 HydrophobicContact CB-CD2 4.04Å; P102-L188 HydrophobicContact CG-CD2 3.55Å
103Q89.9Confident96.3Very high82 Ų8235 Ų3538%0.38318%0.184SC..PPolyproline II helixtrans-68120.7-176.8-174.4176.32.200110.9L101 N105 Y108L101-Q103 PolarHBondContact O-N 3.05Å; Q103-N105 WeakPolarHBondContact CG-O 3.28Å; Q103-N105 PolarHBondContact NE2-O 2.86Å; Q103-Y108 HydrophobicContact CG-CD1 4.42Å; Q103-Y108 HydrophobicContact CG-CE1 4.45Å; Q103-Y108 VanDerWaalsContact OE1-CE1 3.29Å
104Q86.9Confident96.4Very high136 Ų13632.6 Ų32.664%0.63617%0.173SC*.  trans-104.8-20.4178.9-67.3-177.6-17.700113.4P102P102-Q104 PolarHBondContact O-N 3.06Å
105N91.9Very high96.3Very high81 Ų8131 Ų3143%0.43317%0.166SC..SBendtrans-151.9-169.3-179.457.458000109.8Q103 A107Q103-N105 WeakPolarHBondContact CG-O 3.28Å; Q103-N105 PolarHBondContact NE2-O 2.86Å; N105-A107 PolarHBondContact O-N 3.44Å; N105-A107 VanDerWaalsContact O-N 3.17Å; N105-A107 WeakPolarHBondContact OD1-CA 3.48Å; N105-A107 VanDerWaalsContact OD1-CB 3.29Å; N105-A107 WeakPolarHBondContact OD1-CB 3.44Å; N105-A107 PolarHBondContact OD1-N 2.84Å; N105-A107 PolarHBondContact OD1-O 3.06Å
106A93.1Very high96.2Very high88 Ų8832.1 Ų32.173%0.72717%0.172SC*.SBendtrans-62.6-20.1-179.800000113.9
107A95.6Very high96.1Very high4 Ų431.7 Ų31.73%0.03317%0.17CC..SBendtrans-88.3147.9175.800000111.6N105 F109 K122 I123N105-A107 PolarHBondContact O-N 3.44Å; N105-A107 VanDerWaalsContact O-N 3.17Å; N105-A107 WeakPolarHBondContact OD1-CA 3.48Å; N105-A107 VanDerWaalsContact OD1-CB 3.29Å; N105-A107 WeakPolarHBondContact OD1-CB 3.44Å; N105-A107 PolarHBondContact OD1-N 2.84Å; N105-A107 PolarHBondContact OD1-O 3.06Å; A107-F109 HydrophobicContact CB-CE2 3.95Å; A107-F109 HydrophobicContact CB-CZ 4.13Å; A107-K122 HydrophobicContact CB-CD 4.25Å; A107-K122 VanDerWaalsContact CB-CE 3.42Å; A107-K122 HydrophobicContact CB-CG 3.89Å; A107-I123 WeakPolarHBondContact CA-O 3.43Å
108Y97.1Very high96.1Very high26 Ų2629.8 Ų29.810%0.10216%0.161CC..EExtended strand (participates in β ladder)trans-96.5147.7172.8-54.1-82.9000110.3L41 Q103 K122 I123L41-Y108 HydrophobicContact CD1-CD1 3.61Å; L41-Y108 HydrophobicContact CD1-CD2 3.76Å; L41-Y108 HydrophobicContact CD1-CE1 3.83Å; L41-Y108 HydrophobicContact CD1-CE2 3.98Å; L41-Y108 HydrophobicContact CD1-CG 3.57Å; Q103-Y108 HydrophobicContact CG-CD1 4.42Å; Q103-Y108 HydrophobicContact CG-CE1 4.45Å; Q103-Y108 VanDerWaalsContact OE1-CE1 3.29Å; Y108-K122 WeakPolarHBondContact O-CA 3.5Å; Y108-I123 PolarHBondContact N-O 2.98Å; Y108-I123 PolarHBondContact O-N 3.34Å
109F97.9Very high96.1Very high17 Ų1731.2 Ų31.28%0.07517%0.167CC..EExtended strand (participates in β ladder)trans-129.9136.8-180-63.1-92.1000110.1L101 A107 L120 W121 K122L101-F109 HydrophobicContact CB-CB 3.96Å; L101-F109 HydrophobicContact CD2-CB 4.15Å; L101-F109 HydrophobicContact CG-CB 4.49Å; L101-F109 PolarHBondContact N-O 3.15Å; A107-F109 HydrophobicContact CB-CE2 3.95Å; A107-F109 HydrophobicContact CB-CZ 4.13Å; F109-L120 HydrophobicContact CB-CD1 4.26Å; F109-W121 VanDerWaalsContact CA-O 3.28Å; F109-W121 WeakPolarHBondContact CA-O 3.03Å; F109-K122 HydrophobicContact CD1-CB 3.9Å; F109-K122 HydrophobicContact CD1-CG 4.2Å; F109-K122 HydrophobicContact CE1-CB 3.61Å; F109-K122 HydrophobicContact CE1-CD 3.97Å; F109-K122 HydrophobicContact CE1-CG 3.58Å; F109-K122 HydrophobicContact CZ-CB 4.4Å; F109-K122 HydrophobicContact CZ-CD 4.07Å; F109-K122 HydrophobicContact CZ-CG 3.86Å
110L98.3Very high96.2Very high0 Ų030.2 Ų30.20%016%0.163CC..EExtended strand (participates in β ladder)trans-139.7149.4173.865.484.1000110.6V53 F76 I98 K99 W100 W121 I123V53-L110 HydrophobicContact CG2-CD2 4.34Å; F76-L110 HydrophobicContact CZ-CD1 4.48Å; I98-L110 HydrophobicContact CG2-CB 4.41Å; I98-L110 HydrophobicContact CG2-CD1 4.32Å; K99-L110 CarbonylContact O-C 3.58Å; K99-L110 WeakPolarHBondContact O-CA 3.36Å; W100-L110 HydrophobicContact CD2-CB 4.08Å; W100-L110 HydrophobicContact CD2-CD2 4.47Å; W100-L110 HydrophobicContact CE3-CB 3.82Å; W100-L110 HydrophobicContact CE3-CD2 4.2Å; W100-L110 HydrophobicContact CH2-CD2 3.72Å; W100-L110 HydrophobicContact CZ2-CD2 4.03Å; W100-L110 HydrophobicContact CZ3-CB 4.19Å; W100-L110 HydrophobicContact CZ3-CD2 3.79Å; W100-L110 HydrophobicContact CZ3-CG 4.49Å; L110-W121 HydrophobicContact CD1-CB 3.94Å; L110-W121 HydrophobicContact CD1-CG 4.22Å; L110-W121 HydrophobicContact CG-CB 4.13Å; L110-W121 PolarHBondContact N-O 3.31Å; L110-W121 VanDerWaalsContact N-O 3.14Å; L110-W121 PolarHBondContact O-N 2.87Å; L110-I123 HydrophobicContact CD2-CD1 3.82Å
111L98.8Very high96.2Very high0 Ų030.1 Ų30.10%016%0.163CC..EExtended strand (participates in β ladder)trans-94.1136.4165-65.5169000108.7I98 K99 L101 V118 K119 L120 F171 I182 V184 F191 L204I98-L111 CarbonylContact C-O 3.58Å; I98-L111 VanDerWaalsContact CA-O 3.29Å; I98-L111 WeakPolarHBondContact CA-O 3.48Å; K99-L111 PolarHBondContact N-O 2.99Å; K99-L111 PolarHBondContact O-N 3.46Å; L101-L111 HydrophobicContact CD1-CD1 4.15Å; L101-L111 HydrophobicContact CD1-CG 3.79Å; L111-V118 HydrophobicContact CB-CG1 4.18Å; L111-V118 HydrophobicContact CD2-CG1 3.97Å; L111-V118 HydrophobicContact CG-CG1 4.5Å; L111-K119 VanDerWaalsContact CA-O 3.32Å; L111-K119 WeakPolarHBondContact CA-O 3.36Å; L111-L120 HydrophobicContact CD2-CB 3.93Å; L111-L120 HydrophobicContact CD2-CD1 3.93Å; L111-L120 HydrophobicContact CG-CD1 4.44Å; L111-F171 HydrophobicContact CD2-CE2 4.15Å; L111-I182 HydrophobicContact CB-CD1 3.84Å; L111-V184 HydrophobicContact CD1-CG2 3.84Å; L111-F191 HydrophobicContact CD1-CB 4.15Å; L111-F191 HydrophobicContact CD1-CD1 4.16Å; L111-F191 HydrophobicContact CD1-CD2 3.83Å; L111-F191 HydrophobicContact CD1-CE2 4.26Å; L111-F191 HydrophobicContact CD1-CG 3.78Å; L111-L204 HydrophobicContact CD1-CD2 4.41Å; L111-L204 HydrophobicContact CD2-CD2 4.39Å
112S98.8Very high96.2Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-124.2146.4166.160.20000109.3S78 K97 V118 K119 W121S78-S112 PolarHBondContact OG-OG 3.28Å; K97-S112 WeakPolarHBondContact O-CA 3.44Å; S112-V118 CarbonylContact O-C 3.54Å; S112-V118 WeakPolarHBondContact O-CA 3.39Å; S112-K119 PolarHBondContact N-O 2.9Å; S112-K119 PolarHBondContact O-N 3.49Å; S112-W121 VanDerWaalsContact OG-CD1 3.29Å; S112-W121 PolarHBondContact OG-NE1 3.33Å; S112-W121 VanDerWaalsContact OG-NE1 3.09Å
113T98.7Very high96.4Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-136.4143.5177.9-168.60000111.3I95 N96 K97 T117 I179 I182I95-T113 CarbonylContact C-O 3.58Å; N96-T113 HydrophobicContact CB-CG2 4.23Å; N96-T113 PolarHBondContact N-O 3.36Å; K97-T113 HydrophobicContact CB-CG2 3.94Å; K97-T113 PolarHBondContact O-N 3.15Å; K97-T113 VanDerWaalsContact O-N 3.1Å; T113-T117 WeakPolarHBondContact CA-O 3.04Å; T113-T117 PolarHBondContact OG1-O 3.02Å; T113-I179 HydrophobicContact CG2-CG2 4.09Å; T113-I182 HydrophobicContact CG2-CD1 3.98Å; T113-I182 HydrophobicContact CG2-CG1 4.15Å; T113-I182 HydrophobicContact CG2-CG2 3.92Å
114N98Very high96.7Very high0 Ų026.4 Ų26.40%014%0.142CC..  trans-102-156.6157.872.4-11.5000108.7I91 E92 K94 K116 T117I91-N114 WeakPolarHBondContact CG2-ND2 3.5Å; E92-N114 PolarHBondContact O-ND2 2.95Å; K94-N114 WeakPolarHBondContact O-CA 3.08Å; K94-N114 VanDerWaalsContact O-CB 3.28Å; K94-N114 WeakPolarHBondContact O-CB 3.32Å; N114-K116 VanDerWaalsContact C-N 3.28Å; N114-K116 PolarHBondContact O-N 3.45Å; N114-K116 PolarHBondContact OD1-N 3.01Å; N114-K116 VanDerWaalsContact OD1-N 3.14Å; N114-T117 PolarHBondContact N-O 2.8Å; N114-T117 PolarHBondContact OD1-N 2.88Å; N114-T117 PolarHBondContact OD1-O 3.41Å
115D96.7Very high97Very high23 Ų2324 Ų2412%0.12313%0.131CC..SBendtrans-67.3-20.8-177.5-78.2-3.2000115.4N96 H178 I179N96-D115 PolarHBondContact ND2-N 3.08Å; N96-D115 PolarHBondContact ND2-OD1 2.89Å; D115-H178 HydrophobicContact CB-CB 4.39Å; D115-H178 IonicContact OD1-ND1 3.48Å; D115-H178 IonicContact OD2-CE1 2.79Å; D115-H178 PolarHBondContact OD2-CE1 3.11Å; D115-H178 IonicContact OD2-CG 3.58Å; D115-H178 IonicContact OD2-ND1 3.91Å; D115-H178 PolarHBondContact OD2-ND1 3.05Å; D115-I179 WeakPolarHBondContact O-CG1 3.28Å; D115-I179 PolarHBondContact O-N 2.9Å
116K95.9Very high97Very high25 Ų2524.4 Ų24.411%0.10913%0.126CC..SBendtrans-131.4-23.3-171-62-62.3174.8-161.20114.9I91 N114 T176 Y177I91-K116 HydrophobicContact CD1-CB 4.28Å; I91-K116 HydrophobicContact CD1-CG 3.88Å; I91-K116 HydrophobicContact CG1-CG 3.96Å; I91-K116 HydrophobicContact CG2-CB 4.1Å; I91-K116 HydrophobicContact CG2-CG 3.89Å; N114-K116 VanDerWaalsContact C-N 3.28Å; N114-K116 PolarHBondContact O-N 3.45Å; N114-K116 PolarHBondContact OD1-N 3.01Å; N114-K116 VanDerWaalsContact OD1-N 3.14Å; K116-T176 PolarHBondContact NZ-O 3.15Å; K116-Y177 PolarHBondContact NZ-O 2.7Å
117T96.8Very high97Very high5 Ų524.2 Ų24.23%0.03111%0.113CC..  trans-134.8129.2-167.8-61.80000111.3H79 T113 N114 K119 V170H79-T117 PolarHBondContact NE2-O 2.76Å; T113-T117 WeakPolarHBondContact CA-O 3.04Å; T113-T117 PolarHBondContact OG1-O 3.02Å; N114-T117 PolarHBondContact N-O 2.8Å; N114-T117 PolarHBondContact OD1-N 2.88Å; N114-T117 PolarHBondContact OD1-O 3.41Å; T117-K119 HydrophobicContact CG2-CG 4.19Å; T117-V170 HydrophobicContact CG2-CG1 3.41Å; T117-V170 VanDerWaalsContact CG2-CG1 3.41Å
118V98.6Very high96.9Very high1 Ų128.7 Ų28.71%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-98.2136.9169.7-170.20000109L111 S112 F171 I179 I182 F191L111-V118 HydrophobicContact CB-CG1 4.18Å; L111-V118 HydrophobicContact CD2-CG1 3.97Å; L111-V118 HydrophobicContact CG-CG1 4.5Å; S112-V118 CarbonylContact O-C 3.54Å; S112-V118 WeakPolarHBondContact O-CA 3.39Å; V118-F171 HydrophobicContact CB-CB 4.22Å; V118-F171 HydrophobicContact CB-CD2 4.21Å; V118-F171 HydrophobicContact CG1-CD2 4.35Å; V118-F171 PolarHBondContact N-O 2.76Å; V118-F171 PolarHBondContact O-N 3.38Å; V118-I179 HydrophobicContact CG2-CD1 4.16Å; V118-I182 HydrophobicContact CG1-CG2 4.41Å; V118-I182 HydrophobicContact CG2-CG2 3.96Å; V118-F191 HydrophobicContact CB-CE2 4.44Å; V118-F191 HydrophobicContact CG1-CE2 4.03Å; V118-F191 HydrophobicContact CG1-CZ 4.25Å; V118-F191 HydrophobicContact CG2-CE2 4.37Å
119K98.7Very high96.6Very high32 Ų3233.2 Ų33.214%0.13915%0.148CC..EExtended strand (participates in β ladder)trans-122.6134.9176-63.9-174.7-175177.80110.6S78 L111 S112 T117 W121 R169 V170S78-K119 VanDerWaalsContact O-CD 3.26Å; S78-K119 WeakPolarHBondContact O-CD 3.39Å; S78-K119 WeakPolarHBondContact O-CE 3.41Å; S78-K119 PolarHBondContact O-NZ 3.22Å; L111-K119 VanDerWaalsContact CA-O 3.32Å; L111-K119 WeakPolarHBondContact CA-O 3.36Å; S112-K119 PolarHBondContact N-O 2.9Å; S112-K119 PolarHBondContact O-N 3.49Å; T117-K119 HydrophobicContact CG2-CG 4.19Å; K119-W121 HydrophobicContact CD-CZ2 4.11Å; K119-R169 CarbonylContact C-O 3.54Å; K119-R169 WeakPolarHBondContact CA-O 3.22Å; K119-V170 HydrophobicContact CD-CG2 4.48Å; K119-V170 HydrophobicContact CG-CG1 4.26Å; K119-V170 HydrophobicContact CG-CG2 4.2Å
120L98.6Very high96.2Very high11 Ų1134.5 Ų34.56%0.05816%0.158CC..EExtended strand (participates in β ladder)trans-93.6116.9170.217863.9000109.3L101 F109 L111 R168 R169 F171L101-L120 HydrophobicContact CD1-CD1 4.06Å; L101-L120 HydrophobicContact CD2-CD1 4Å; F109-L120 HydrophobicContact CB-CD1 4.26Å; L111-L120 HydrophobicContact CD2-CB 3.93Å; L111-L120 HydrophobicContact CD2-CD1 3.93Å; L111-L120 HydrophobicContact CG-CD1 4.44Å; L120-R168 PolarHBondContact O-N 3.04Å; L120-R169 HydrophobicContact CB-CB 3.98Å; L120-R169 HydrophobicContact CD2-CB 4.48Å; L120-R169 HydrophobicContact CD2-CG 4.23Å; L120-R169 PolarHBondContact N-O 3.43Å; L120-R169 PolarHBondContact O-N 3.02Å; L120-F171 HydrophobicContact CB-CE2 4.08Å
121W98.6Very high95.7Very high20 Ų2036.4 Ų36.48%0.07617%0.167CC..EExtended strand (participates in β ladder)trans-101.2142.2177.8-68.590.4000110.9F76 Q77 S78 F109 L110 S112 K119 T166 A167F76-W121 AromaticContact CD2-CD2 3.86Å; F76-W121 HydrophobicContact CD2-CD2 3.86Å; F76-W121 AromaticContact CD2-CE3 3.63Å; F76-W121 HydrophobicContact CD2-CE3 3.63Å; F76-W121 AromaticContact CD2-CH2 3.91Å; F76-W121 HydrophobicContact CD2-CH2 3.91Å; F76-W121 HydrophobicContact CD2-CZ2 4.17Å; F76-W121 AromaticContact CD2-CZ3 3.63Å; F76-W121 HydrophobicContact CD2-CZ3 3.63Å; F76-W121 HydrophobicContact CE2-CB 4.35Å; F76-W121 AromaticContact CE2-CD2 3.33Å; F76-W121 HydrophobicContact CE2-CD2 3.33Å; F76-W121 AromaticContact CE2-CE2 3.68Å; F76-W121 AromaticContact CE2-CE3 3.54Å; F76-W121 HydrophobicContact CE2-CE3 3.54Å; F76-W121 AromaticContact CE2-CG 3.67Å; F76-W121 HydrophobicContact CE2-CG 3.67Å; F76-W121 HydrophobicContact CE2-CH2 4.34Å; F76-W121 HydrophobicContact CE2-CZ2 4.22Å; F76-W121 HydrophobicContact CE2-CZ3 4.03Å; F76-W121 HydrophobicContact CG-CE3 4.44Å; F76-W121 HydrophobicContact CG-CZ3 4.39Å; F76-W121 HydrophobicContact CZ-CB 4.27Å; F76-W121 HydrophobicContact CZ-CD2 4.11Å; F76-W121 HydrophobicContact CZ-CE3 4.29Å; F76-W121 HydrophobicContact CZ-CG 4.06Å; Q77-W121 WeakPolarHBondContact O-CH2 3.28Å; S78-W121 VanDerWaalsContact CA-CZ2 3.47Å; S78-W121 WeakPolarHBondContact O-CZ2 3.42Å; S78-W121 PolarHBondContact OG-NE1 3.15Å; F109-W121 VanDerWaalsContact CA-O 3.28Å; F109-W121 WeakPolarHBondContact CA-O 3.03Å; L110-W121 HydrophobicContact CD1-CB 3.94Å; L110-W121 HydrophobicContact CD1-CG 4.22Å; L110-W121 HydrophobicContact CG-CB 4.13Å; L110-W121 PolarHBondContact N-O 3.31Å; L110-W121 VanDerWaalsContact N-O 3.14Å; L110-W121 PolarHBondContact O-N 2.87Å; S112-W121 VanDerWaalsContact OG-CD1 3.29Å; S112-W121 PolarHBondContact OG-NE1 3.33Å; S112-W121 VanDerWaalsContact OG-NE1 3.09Å; K119-W121 HydrophobicContact CD-CZ2 4.11Å; W121-T166 WeakPolarHBondContact CA-O 3.31Å; W121-T166 VanDerWaalsContact CE3-C 3.45Å; W121-A167 HydrophobicContact CD2-CB 4.32Å; W121-A167 HydrophobicContact CE3-CB 4.09Å; W121-A167 HydrophobicContact CH2-CB 3.72Å; W121-A167 HydrophobicContact CZ2-CB 3.9Å; W121-A167 HydrophobicContact CZ3-CB 3.82Å
122K97.8Very high95.2Very high64 Ų6438.7 Ų38.728%0.27819%0.191SC..EExtended strand (participates in β ladder)trans-113.5126.4168.2176.9-171.8173-165.30108.8A107 Y108 F109 A165 T166 R168A107-K122 HydrophobicContact CB-CD 4.25Å; A107-K122 VanDerWaalsContact CB-CE 3.42Å; A107-K122 HydrophobicContact CB-CG 3.89Å; Y108-K122 WeakPolarHBondContact O-CA 3.5Å; F109-K122 HydrophobicContact CD1-CB 3.9Å; F109-K122 HydrophobicContact CD1-CG 4.2Å; F109-K122 HydrophobicContact CE1-CB 3.61Å; F109-K122 HydrophobicContact CE1-CD 3.97Å; F109-K122 HydrophobicContact CE1-CG 3.58Å; F109-K122 HydrophobicContact CZ-CB 4.4Å; F109-K122 HydrophobicContact CZ-CD 4.07Å; F109-K122 HydrophobicContact CZ-CG 3.86Å; K122-A165 CarbonylContact O-C 3.51Å; K122-A165 WeakPolarHBondContact O-CA 3.31Å; K122-T166 PolarHBondContact N-O 2.89Å; K122-T166 PolarHBondContact O-N 3.24Å; K122-T166 PolarHBondContact O-OG1 2.79Å; K122-R168 HydrophobicContact CB-CG 3.68Å
123I97.6Very high94.7Very high0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-111.9119.2174.4-54.1168000107.2V53 Y73 F76 W100 A107 Y108 L110 V163 E164 A165V53-I123 HydrophobicContact CG2-CD1 3.74Å; Y73-I123 HydrophobicContact CD1-CG2 4.46Å; Y73-I123 HydrophobicContact CE1-CG2 3.74Å; F76-I123 HydrophobicContact CE1-CD1 4.11Å; F76-I123 HydrophobicContact CE1-CG1 4.39Å; W100-I123 HydrophobicContact CH2-CD1 4.18Å; W100-I123 HydrophobicContact CZ3-CD1 4.32Å; A107-I123 WeakPolarHBondContact CA-O 3.43Å; Y108-I123 PolarHBondContact N-O 2.98Å; Y108-I123 PolarHBondContact O-N 3.34Å; L110-I123 HydrophobicContact CD2-CD1 3.82Å; I123-V163 HydrophobicContact CG2-CG1 3.55Å; I123-E164 WeakPolarHBondContact CA-O 2.86Å; I123-A165 HydrophobicContact CG1-CB 4.25Å
124S95.7Very high94.3Very high22 Ų2246.4 Ų46.415%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-134143.8-179.647.10000112.2E164S124-E164 PolarHBondContact N-O 2.87Å; S124-E164 PolarHBondContact O-N 3.03Å
125E94.3Very high93.9Very high86 Ų8651.1 Ų51.140%0.40225%0.249SC..EExtended strand (participates in β ladder)trans-83142.9171.1-64.6-176-176.300110.7Y73 L161 M162 V163Y73-E125 HydrophobicContact CE2-CG 4.41Å; Y73-E125 WeakPolarHBondContact OH-CG 3.44Å; Y73-E125 PolarHBondContact OH-OE1 2.86Å; E125-L161 HydrophobicContact CB-CD1 3.85Å; E125-L161 HydrophobicContact CG-CD1 4.3Å; E125-M162 CarbonylContact C-O 3.24Å; E125-M162 WeakPolarHBondContact CA-O 3.42Å; E125-V163 HydrophobicContact CG-CG2 4.41Å
126R92.4Very high93.4Very high88 Ų8854.5 Ų54.533%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-137.2118176.5-177.7176.8169.8-167.8-4.5109.5K128 M162 E164R126-K128 WeakPolarHBondContact CG-O 3.22Å; R126-K128 PolarHBondContact NE-O 2.96Å; R126-M162 PolarHBondContact N-O 3.02Å; R126-M162 PolarHBondContact O-N 3.18Å; R126-E164 IonicContact NH1-OE1 3.68Å; R126-E164 PolarHBondContact NH1-OE1 3.04Å
127D92.9Very high92.7Very high84 Ų8456.3 Ų56.345%0.44927%0.273SS..EExtended strand (participates in β ladder)trans-113.14.9-17969.7-27.4000112.4P158 M159 L161D127-P158 CarbonylContact O-C 3.48Å; D127-P158 WeakPolarHBondContact O-CA 3.4Å; D127-M159 WeakPolarHBondContact O-CG 3.29Å; D127-M159 PolarHBondContact O-N 3.39Å; D127-L161 HydrophobicContact CB-CD1 4.25Å
128K92.6Very high91.7Very high98 Ų9865 Ų6543%0.42631%0.314SS..EExtended strand (participates in β ladder)trans-136.9146-177.2-68.3170.4-166.2174.70112.5R126 L156 Q157R126-K128 WeakPolarHBondContact CG-O 3.22Å; R126-K128 PolarHBondContact NE-O 2.96Å; K128-L156 HydrophobicContact CB-CB 4.41Å; K128-Q157 CarbonylContact C-O 3.57Å; K128-Q157 VanDerWaalsContact CA-O 3.25Å; K128-Q157 WeakPolarHBondContact CA-O 3.35Å
129R90.3Very high90.9Very high122 Ų12271.6 Ų71.646%0.4635%0.348SS..EExtended strand (participates in β ladder)trans-130146.5172.864.9-174.7-168.7-167.12.7112.5E131 L156 Q157 M159R129-E131 HydrophobicContact CG-CG 4.31Å; R129-E131 IonicContact CZ-OE1 3.16Å; R129-E131 IonicContact NE-OE1 2.97Å; R129-E131 PolarHBondContact NE-OE1 2.83Å; R129-E131 IonicContact NH2-OE1 2.73Å; R129-E131 PolarHBondContact NH2-OE1 2.86Å; R129-L156 WeakPolarHBondContact O-CA 3.38Å; R129-Q157 PolarHBondContact N-O 3.26Å; R129-Q157 PolarHBondContact O-N 2.74Å; R129-M159 HydrophobicContact CB-SD 3.72Å; R129-M159 HydrophobicContact CG-CB 4.28Å; R129-M159 HydrophobicContact CG-SD 4.23Å
130P90.4Very high90.1Very high43 Ų4372 Ų7228%0.27936%0.362SS..EExtended strand (participates in β ladder)trans-72.4133.1172.829.5-33.7000110.9Y133 P154 L156P130-Y133 VanDerWaalsContact CG-OH 3.27Å; P130-Y133 WeakPolarHBondContact CG-OH 3.34Å; P130-P154 HydrophobicContact CB-CB 4.27Å; P130-L156 HydrophobicContact CB-CD2 4.34Å
131E88.6Confident89.4Confident40 Ų4079.8 Ų79.819%0.18739%0.391CS..EExtended strand (participates in β ladder)trans-132.2164.2173-66.9-164.9-179.400111.6R129 P154 V155 Q157R129-E131 HydrophobicContact CG-CG 4.31Å; R129-E131 IonicContact CZ-OE1 3.16Å; R129-E131 IonicContact NE-OE1 2.97Å; R129-E131 PolarHBondContact NE-OE1 2.83Å; R129-E131 IonicContact NH2-OE1 2.73Å; R129-E131 PolarHBondContact NH2-OE1 2.86Å; E131-P154 CarbonylContact O-C 3.59Å; E131-P154 WeakPolarHBondContact O-CA 3.3Å; E131-P154 WeakPolarHBondContact O-CB 3.37Å; E131-V155 PolarHBondContact N-O 3.03Å; E131-V155 PolarHBondContact O-N 3.46Å; E131-Q157 HydrophobicContact CB-CG 4.18Å; E131-Q157 HydrophobicContact CG-CB 4.41Å; E131-Q157 HydrophobicContact CG-CG 4.29Å; E131-Q157 PolarHBondContact OE2-NE2 3.32Å; E131-Q157 PolarHBondContact OE2-OE1 3.12Å
132G87.4Confident88.9Confident49 Ų4986.6 Ų86.651%0.50542%0.421SS..  trans88.141-179.800000114.2
133Y89Confident88.3Confident123 Ų12388.2 Ų88.248%0.48243%0.425SS..  trans-66.7143.7174.9-68.8-82.6000111.8P130 P154P130-Y133 VanDerWaalsContact CG-OH 3.27Å; P130-Y133 WeakPolarHBondContact CG-OH 3.34Å; Y133-P154 HydrophobicContact CD1-CG 4.21Å; Y133-P154 HydrophobicContact CE1-CG 4.3Å
134N89.9Confident87.7Confident39 Ų3992.6 Ų92.621%0.20945%0.449CS..SBendtrans-69.3-36.8-179.9-67-62.1000113I148 R152N134-I148 WeakPolarHBondContact O-CD1 3.1Å; N134-R152 PolarHBondContact ND2-O 3.37Å; N134-R152 PolarHBondContact OD1-N 3.13Å; N134-R152 PolarHBondContact OD1-O 3.34Å
135L89.5Confident87.2Confident99 Ų9996.1 Ų96.152%0.51847%0.471SS..SBendtrans-96.3-7.3-172.2-59.8178.7000113.5F142 R143 I148L135-F142 CarbonylContact O-C 3.53Å; L135-F142 WeakPolarHBondContact O-CA 3.4Å; L135-R143 PolarHBondContact O-N 3Å; L135-I148 HydrophobicContact CD2-CD1 3.51Å
136K86.2Confident86.9Confident93 Ų9396.6 Ų96.640%0.40448%0.484SS..BIsolated β-bridgetrans-127.6135.8-179.5-66.6-173.7177.5-173.30110R141 F142K136-R141 CarbonylContact C-O 3.58Å; K136-R141 VanDerWaalsContact CA-O 3.24Å; K136-R141 WeakPolarHBondContact CA-O 3.29Å; K136-F142 HydrophobicContact CG-CD1 4.33Å; K136-F142 HydrophobicContact CG-CE1 4.41Å
137D80.4Confident86.5Confident63 Ų6395.9 Ų95.934%0.33749%0.49SS..  trans-76.3178.8168.961.618.2000111.3D139 G140 R141 R143D137-D139 PolarHBondContact O-N 3.42Å; D137-D139 PolarHBondContact OD1-N 2.72Å; D137-G140 PolarHBondContact O-N 3.22Å; D137-G140 PolarHBondContact OD1-N 3.31Å; D137-G140 VanDerWaalsContact OD1-N 3.11Å; D137-R141 PolarHBondContact N-O 3.07Å; D137-R141 WeakPolarHBondContact OD1-CA 3.42Å; D137-R141 WeakPolarHBondContact OD1-CB 3.44Å; D137-R141 PolarHBondContact OD1-N 3.01Å; D137-R143 HydrophobicContact CB-CG 4.22Å
138E77.3Confident86.2Confident189 Ų18993.8 Ų93.888%0.88348%0.478SS*.THydrogen-bonded Turntrans-62.7-25.2-179.2-65.3-172172.400112.6G140E138-G140 VanDerWaalsContact C-N 3.26Å; E138-G140 PolarHBondContact O-N 2.94Å
139D80.8Confident86.1Confident138 Ų13895.3 Ų95.374%0.73850%0.496SS*.THydrogen-bonded Turntrans-84.62.8174.8-63.7-41.8000112.9D137 R141D137-D139 PolarHBondContact O-N 3.42Å; D137-D139 PolarHBondContact OD1-N 2.72Å; D139-R141 VanDerWaalsContact C-N 3.28Å; D139-R141 HydrophobicContact CB-CG 4.43Å; D139-R141 PolarHBondContact O-N 3Å
140G81.1Confident86Confident41 Ų4193.4 Ų93.442%0.42350%0.498SS..SBendtrans777.6178.400000114.9D137 E138D137-G140 PolarHBondContact O-N 3.22Å; D137-G140 PolarHBondContact OD1-N 3.31Å; D137-G140 VanDerWaalsContact OD1-N 3.11Å; E138-G140 VanDerWaalsContact C-N 3.26Å; E138-G140 PolarHBondContact O-N 2.94Å
141R85.8Confident86Confident175 Ų17598.5 Ų98.566%0.6652%0.522SS*.PPolyproline II helixtrans-78.4144.9177.4-57.8179.2175.3-176.90.3110.3K136 D137 D139 R143K136-R141 CarbonylContact C-O 3.58Å; K136-R141 VanDerWaalsContact CA-O 3.24Å; K136-R141 WeakPolarHBondContact CA-O 3.29Å; D137-R141 PolarHBondContact N-O 3.07Å; D137-R141 WeakPolarHBondContact OD1-CA 3.42Å; D137-R141 WeakPolarHBondContact OD1-CB 3.44Å; D137-R141 PolarHBondContact OD1-N 3.01Å; D139-R141 VanDerWaalsContact C-N 3.28Å; D139-R141 HydrophobicContact CB-CG 4.43Å; D139-R141 PolarHBondContact O-N 3Å; R141-R143 PolarHBondContact O-N 2.82Å
142F87.1Confident86Confident163 Ų163104.5 Ų104.572%0.71554%0.543SS*.BIsolated β-bridgetrans-67.4127.4177.1-72.1-77.8000110.7L135 K136L135-F142 CarbonylContact O-C 3.53Å; L135-F142 WeakPolarHBondContact O-CA 3.4Å; K136-F142 HydrophobicContact CG-CD1 4.33Å; K136-F142 HydrophobicContact CG-CE1 4.41Å
143R84.1Confident86.3Confident98 Ų98108.2 Ų108.237%0.3756%0.555SS.*PPolyproline II helixtrans-80.2141.7172.6-61.3-178.568.3-172.3-0.4108.8L135 D137 R141 P145L135-R143 PolarHBondContact O-N 3Å; D137-R143 HydrophobicContact CB-CG 4.22Å; R141-R143 PolarHBondContact O-N 2.82Å; R143-P145 WeakPolarHBondContact O-CD 3.39Å
144D85.9Confident86.4Confident91 Ų91104.9 Ų104.949%0.48755%0.548SS..PPolyproline II helixtrans-61.2121.4172.2-179.4-17.9000109.1S146 T147D144-S146 PolarHBondContact O-N 3.3Å; D144-S146 VanDerWaalsContact O-N 3.08Å; D144-S146 WeakPolarHBondContact OD1-CB 3.34Å; D144-S146 PolarHBondContact OD1-N 2.97Å; D144-S146 PolarHBondContact OD1-OG 2.84Å; D144-S146 PolarHBondContact OD2-OG 3.18Å; D144-S146 VanDerWaalsContact OD2-OG 3.05Å; D144-T147 HydrophobicContact CB-CG2 4.01Å; D144-T147 WeakPolarHBondContact O-CB 3.22Å; D144-T147 PolarHBondContact O-N 3.48Å; D144-T147 PolarHBondContact O-OG1 3.12Å
145P84.9Confident86.6Confident97 Ų97107.8 Ų107.863%0.6357%0.567SS**G310 helixtrans-53.1-30.2-179.9-27.535.6000114.1R143 T147 I148R143-P145 WeakPolarHBondContact O-CD 3.39Å; P145-T147 PolarHBondContact O-N 3.05Å; P145-I148 PolarHBondContact O-N 3.12Å
146S87.4Confident86.8Confident96 Ų96108.5 Ų108.567%0.67157%0.571SS**G310 helixtrans-67.4-20178.768.80000113.7D144 I148D144-S146 PolarHBondContact O-N 3.3Å; D144-S146 VanDerWaalsContact O-N 3.08Å; D144-S146 WeakPolarHBondContact OD1-CB 3.34Å; D144-S146 PolarHBondContact OD1-N 2.97Å; D144-S146 PolarHBondContact OD1-OG 2.84Å; D144-S146 PolarHBondContact OD2-OG 3.18Å; D144-S146 VanDerWaalsContact OD2-OG 3.05Å; S146-I148 VanDerWaalsContact C-N 3.34Å
147T85.8Confident87.1Confident73 Ų73108.1 Ų108.145%0.44857%0.571SS.*G310 helixtrans-86.8-4.9178.967.60000113.5D144 P145 T149D144-T147 HydrophobicContact CB-CG2 4.01Å; D144-T147 WeakPolarHBondContact O-CB 3.22Å; D144-T147 PolarHBondContact O-N 3.48Å; D144-T147 PolarHBondContact O-OG1 3.12Å; P145-T147 PolarHBondContact O-N 3.05Å; T147-T149 PolarHBondContact O-N 2.9Å
148I86.7Confident87.7Confident40 Ų40110.5 Ų110.521%0.20559%0.59CS.*  trans-88.496.6-176.3-55.1177.1000109N134 L135 P145 S146 L151N134-I148 WeakPolarHBondContact O-CD1 3.1Å; L135-I148 HydrophobicContact CD2-CD1 3.51Å; P145-I148 PolarHBondContact O-N 3.12Å; S146-I148 VanDerWaalsContact C-N 3.34Å; I148-L151 HydrophobicContact CG2-CD2 4.33Å
149T88.9Confident88.4Confident130 Ų130103.8 Ų103.880%0.79856%0.559SS**  trans-89.8-20.1-178.954.50000113.7T147T147-T149 PolarHBondContact O-N 2.9Å
150T89.1Confident88.9Confident82 Ų82104.4 Ų104.450%0.50356%0.562SS.*SBendtrans-146.3141.3-178.860.50000110.6
151L90.9Very high89.3Confident150 Ų150107.5 Ų107.579%0.78557%0.568SS**  trans-86.7139.5173.3-62.3177.7000111.2I148I148-L151 HydrophobicContact CG2-CD2 4.33Å
152R88.8Confident89.6Confident166 Ų166102.5 Ų102.563%0.62655%0.554SS**  trans-123.3153.3177.3-57.6-179.5-175.2-1790.1110.2N134N134-R152 PolarHBondContact ND2-O 3.37Å; N134-R152 PolarHBondContact OD1-N 3.13Å; N134-R152 PolarHBondContact OD1-O 3.34Å
153V92.8Very high90Very high126 Ų12696.6 Ų96.676%0.76453%0.531SS*.  trans-98.3132.7172.3-179.10000108.1
154P91.8Very high90.5Very high53 Ų5395.1 Ų95.134%0.34453%0.528SS..  trans-58.2143.3176.3-25.634.9000112.5P130 E131 Y133P130-P154 HydrophobicContact CB-CB 4.27Å; E131-P154 CarbonylContact O-C 3.59Å; E131-P154 WeakPolarHBondContact O-CA 3.3Å; E131-P154 WeakPolarHBondContact O-CB 3.37Å; Y133-P154 HydrophobicContact CD1-CG 4.21Å; Y133-P154 HydrophobicContact CE1-CG 4.3Å
155V92.8Very high91Very high100 Ų10092.1 Ų92.161%0.60652%0.516SS*.EExtended strand (participates in β ladder)trans-112.2142.5178.3-178.10000109.1E131 Q157E131-V155 PolarHBondContact N-O 3.03Å; E131-V155 PolarHBondContact O-N 3.46Å; V155-Q157 PolarHBondContact O-N 3.05Å
156L93.7Very high91.6Very high114 Ų11490.4 Ų90.460%0.59750%0.504SS*.EExtended strand (participates in β ladder)trans-74.9119.8175-68.2176.8000110.1K128 R129 P130K128-L156 HydrophobicContact CB-CB 4.41Å; R129-L156 WeakPolarHBondContact O-CA 3.38Å; P130-L156 HydrophobicContact CB-CD2 4.34Å
157Q92.3Very high92Very high86 Ų8688.5 Ų88.540%0.40249%0.494SS..EExtended strand (participates in β ladder)trans-105.1146.9171.8-66.2-162.320.200111.2K128 R129 E131 V155K128-Q157 CarbonylContact C-O 3.57Å; K128-Q157 VanDerWaalsContact CA-O 3.25Å; K128-Q157 WeakPolarHBondContact CA-O 3.35Å; R129-Q157 PolarHBondContact N-O 3.26Å; R129-Q157 PolarHBondContact O-N 2.74Å; E131-Q157 HydrophobicContact CB-CG 4.18Å; E131-Q157 HydrophobicContact CG-CB 4.41Å; E131-Q157 HydrophobicContact CG-CG 4.29Å; E131-Q157 PolarHBondContact OE2-NE2 3.32Å; E131-Q157 PolarHBondContact OE2-OE1 3.12Å; V155-Q157 PolarHBondContact O-N 3.05Å
158P93.9Very high92.6Very high112 Ų11290.7 Ų90.773%0.72749%0.494SS*.EExtended strand (participates in β ladder)trans-57.6144.4172-2132.7000112.1D127D127-P158 CarbonylContact O-C 3.48Å; D127-P158 WeakPolarHBondContact O-CA 3.4Å
159M92.5Very high93.1Very high49 Ų4993.5 Ų93.524%0.24150%0.502CS..EExtended strand (participates in β ladder)trans-140.1168.9171.963.3175.4-76.800110D127 R129 M162D127-M159 WeakPolarHBondContact O-CG 3.29Å; D127-M159 PolarHBondContact O-N 3.39Å; R129-M159 HydrophobicContact CB-SD 3.72Å; R129-M159 HydrophobicContact CG-CB 4.28Å; R129-M159 HydrophobicContact CG-SD 4.23Å; M159-M162 HydrophobicContact CE-CB 4Å; M159-M162 HydrophobicContact CE-CE 4.05Å; M159-M162 HydrophobicContact CE-SD 4.38Å
160D91.1Very high93.5Very high150 Ų15090.4 Ų90.480%0.80248%0.482SS*.EExtended strand (participates in β ladder)trans-58.9140.7171.2-64-31.8000110.8M162D160-M162 PolarHBondContact O-N 2.88Å; D160-M162 VanDerWaalsContact O-N 3.16Å
161L90.1Very high94Very high106 Ų10686.6 Ų86.656%0.55546%0.459SS*.EExtended strand (participates in β ladder)trans-58.2119.4-178.8-174.670.7000110E125 D127E125-L161 HydrophobicContact CB-CD1 3.85Å; E125-L161 HydrophobicContact CG-CD1 4.3Å; D127-L161 HydrophobicContact CB-CD1 4.25Å
162M91.9Very high94.2Very high71 Ų7181.4 Ų81.435%0.3544%0.435SS..EExtended strand (participates in β ladder)trans-117.8135.6176.8-174.4175.661.100109.6E125 R126 M159 D160 E164E125-M162 CarbonylContact C-O 3.24Å; E125-M162 WeakPolarHBondContact CA-O 3.42Å; R126-M162 PolarHBondContact N-O 3.02Å; R126-M162 PolarHBondContact O-N 3.18Å; M159-M162 HydrophobicContact CE-CB 4Å; M159-M162 HydrophobicContact CE-CE 4.05Å; M159-M162 HydrophobicContact CE-SD 4.38Å; D160-M162 PolarHBondContact O-N 2.88Å; D160-M162 VanDerWaalsContact O-N 3.16Å; M162-E164 HydrophobicContact CE-CG 3.88Å; M162-E164 WeakPolarHBondContact CE-OE1 3.35Å; M162-E164 HydrophobicContact CG-CG 4.44Å
163V94.4Very high94.3Very high39 Ų3981.1 Ų81.124%0.23645%0.446CS..EExtended strand (participates in β ladder)trans-102.7122.3175.7-174.70000108.4Y73 I123 E125Y73-V163 HydrophobicContact CD1-CG1 4.19Å; Y73-V163 HydrophobicContact CD2-CG2 4Å; Y73-V163 HydrophobicContact CE1-CG1 3.67Å; Y73-V163 HydrophobicContact CE1-CG2 4.42Å; Y73-V163 HydrophobicContact CE2-CG1 4.28Å; Y73-V163 HydrophobicContact CE2-CG2 3.51Å; I123-V163 HydrophobicContact CG2-CG1 3.55Å; E125-V163 HydrophobicContact CG-CG2 4.41Å
164E94.2Very high94.4Very high66 Ų6676.2 Ų76.231%0.30842%0.419SS..EExtended strand (participates in β ladder)trans-113.6128.2178.6-68.2178.7167.900110.1I123 S124 R126 M162I123-E164 WeakPolarHBondContact CA-O 2.86Å; S124-E164 PolarHBondContact N-O 2.87Å; S124-E164 PolarHBondContact O-N 3.03Å; R126-E164 IonicContact NH1-OE1 3.68Å; R126-E164 PolarHBondContact NH1-OE1 3.04Å; M162-E164 HydrophobicContact CE-CG 3.88Å; M162-E164 WeakPolarHBondContact CE-OE1 3.35Å; M162-E164 HydrophobicContact CG-CG 4.44Å
165A96.9Very high94.5Very high29 Ų2974.4 Ų74.424%0.2441%0.406CS..EExtended strand (participates in β ladder)trans-103.5126.8170.200000110.1F76 K122 I123F76-A165 HydrophobicContact CB-CB 3.99Å; F76-A165 HydrophobicContact CD1-CB 3.3Å; F76-A165 HydrophobicContact CD2-CB 4.37Å; F76-A165 HydrophobicContact CE1-CB 3.78Å; F76-A165 HydrophobicContact CG-CB 3.64Å; F76-A165 HydrophobicContact CZ-CB 4.48Å; K122-A165 CarbonylContact O-C 3.51Å; K122-A165 WeakPolarHBondContact O-CA 3.31Å; I123-A165 HydrophobicContact CG1-CB 4.25Å
166T97.4Very high94.5Very high61 Ų6172.8 Ų72.837%0.37440%0.396SS..EExtended strand (participates in β ladder)trans-130.9131.3-177.353.80000111.2W121 K122 R168W121-T166 WeakPolarHBondContact CA-O 3.31Å; W121-T166 VanDerWaalsContact CE3-C 3.45Å; K122-T166 PolarHBondContact N-O 2.89Å; K122-T166 PolarHBondContact O-N 3.24Å; K122-T166 PolarHBondContact O-OG1 2.79Å; T166-R168 PolarHBondContact O-N 3.29Å
167A97.2Very high94.6Very high55 Ų5569.7 Ų69.746%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-72.4110.4172.300000109W121W121-A167 HydrophobicContact CD2-CB 4.32Å; W121-A167 HydrophobicContact CE3-CB 4.09Å; W121-A167 HydrophobicContact CH2-CB 3.72Å; W121-A167 HydrophobicContact CZ2-CB 3.9Å; W121-A167 HydrophobicContact CZ3-CB 3.82Å
168R96.8Very high94.8Very high120 Ų12069.4 Ų69.445%0.45338%0.375SS..EExtended strand (participates in β ladder)trans-86.2-38.6-180-70.6-159.776.2-171.14.4112.8L120 K122 T166L120-R168 PolarHBondContact O-N 3.04Å; K122-R168 HydrophobicContact CB-CG 3.68Å; T166-R168 PolarHBondContact O-N 3.29Å
169R97.8Very high95Very high99 Ų9964.1 Ų64.137%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-145.1150.3-175.6-60.1-66.8-178.1-105.88.3110.5K119 L120 F171 T207K119-R169 CarbonylContact C-O 3.54Å; K119-R169 WeakPolarHBondContact CA-O 3.22Å; L120-R169 HydrophobicContact CB-CB 3.98Å; L120-R169 HydrophobicContact CD2-CB 4.48Å; L120-R169 HydrophobicContact CD2-CG 4.23Å; L120-R169 PolarHBondContact N-O 3.43Å; L120-R169 PolarHBondContact O-N 3.02Å; R169-F171 HydrophobicContact CB-CE2 3.94Å; R169-F171 HydrophobicContact CB-CZ 3.91Å; R169-T207 HydrophobicContact CB-CG2 3.75Å; R169-T207 HydrophobicContact CG-CG2 4.15Å
170V98Very high95.2Very high64 Ų6462.9 Ų62.939%0.38834%0.335SS..EExtended strand (participates in β ladder)trans-131118.9176.8-176.10000106.8T117 K119 T207T117-V170 HydrophobicContact CG2-CG1 3.41Å; T117-V170 VanDerWaalsContact CG2-CG1 3.41Å; K119-V170 HydrophobicContact CD-CG2 4.48Å; K119-V170 HydrophobicContact CG-CG1 4.26Å; K119-V170 HydrophobicContact CG-CG2 4.2Å; V170-T207 WeakPolarHBondContact O-CB 2.93Å; V170-T207 WeakPolarHBondContact O-CG2 3.24Å
171F98.2Very high95.5Very high2 Ų256 Ų561%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-106.2105.3177.6-49.5-90.4000107.4L111 V118 L120 R169 F191 W202 N203 I206 T207L111-F171 HydrophobicContact CD2-CE2 4.15Å; V118-F171 HydrophobicContact CB-CB 4.22Å; V118-F171 HydrophobicContact CB-CD2 4.21Å; V118-F171 HydrophobicContact CG1-CD2 4.35Å; V118-F171 PolarHBondContact N-O 2.76Å; V118-F171 PolarHBondContact O-N 3.38Å; L120-F171 HydrophobicContact CB-CE2 4.08Å; R169-F171 HydrophobicContact CB-CE2 3.94Å; R169-F171 HydrophobicContact CB-CZ 3.91Å; F171-F191 HydrophobicContact CB-CZ 4.47Å; F171-F191 HydrophobicContact CD1-CE1 4.21Å; F171-F191 HydrophobicContact CD1-CZ 4.13Å; F171-F191 HydrophobicContact CD2-CE1 4.16Å; F171-F191 AromaticContact CD2-CZ 3.76Å; F171-F191 HydrophobicContact CD2-CZ 3.76Å; F171-F191 AromaticContact CE1-CE1 3.92Å; F171-F191 HydrophobicContact CE1-CE1 3.92Å; F171-F191 HydrophobicContact CE1-CZ 4.29Å; F171-F191 AromaticContact CE2-CE1 3.87Å; F171-F191 HydrophobicContact CE2-CE1 3.87Å; F171-F191 AromaticContact CE2-CZ 3.94Å; F171-F191 HydrophobicContact CE2-CZ 3.94Å; F171-F191 HydrophobicContact CG-CE1 4.33Å; F171-F191 AromaticContact CG-CZ 3.87Å; F171-F191 HydrophobicContact CG-CZ 3.87Å; F171-F191 AromaticContact CZ-CE1 3.75Å; F171-F191 HydrophobicContact CZ-CE1 3.75Å; F171-F191 HydrophobicContact CZ-CZ 4.2Å; F171-W202 HydrophobicContact CB-CD2 4.27Å; F171-W202 HydrophobicContact CB-CE3 3.98Å; F171-W202 HydrophobicContact CB-CH2 3.84Å; F171-W202 HydrophobicContact CB-CZ2 4.13Å; F171-W202 HydrophobicContact CB-CZ3 3.78Å; F171-W202 HydrophobicContact CD1-CD2 4.14Å; F171-W202 AromaticContact CD1-CE3 3.56Å; F171-W202 HydrophobicContact CD1-CE3 3.56Å; F171-W202 AromaticContact CD1-CZ3 3.98Å; F171-W202 HydrophobicContact CD1-CZ3 3.98Å; F171-W202 HydrophobicContact CG-CE3 4.18Å; F171-W202 HydrophobicContact CG-CZ3 4.38Å; F171-N203 WeakPolarHBondContact CE1-O 3.44Å; F171-I206 WeakPolarHBondContact CE1-O 3.35Å; F171-T207 HydrophobicContact CD1-CG2 3.89Å; F171-T207 HydrophobicContact CE1-CG2 3.78Å; F171-T207 HydrophobicContact CZ-CG2 4.33Å
172S94.8Very high95.9Very high41 Ų4151.1 Ų51.129%0.28727%0.273SS..  trans-131.3173.8-173.360.60000111.5A174S172-A174 PolarHBondContact O-N 3.21Å; S172-A174 VanDerWaalsContact O-N 3.09Å
173N91.1Very high96.2Very high161 Ų16148.1 Ų48.186%0.86126%0.259SS*.SBendtrans6117.8171.8-58-41.6000116.5
174A94.9Very high96.4Very high22 Ų2247.6 Ų47.618%0.18226%0.256CS..  trans-101.3-1517500000114.2S172 N200 W202 S210S172-A174 PolarHBondContact O-N 3.21Å; S172-A174 VanDerWaalsContact O-N 3.09Å; A174-N200 PolarHBondContact O-ND2 2.98Å; A174-W202 HydrophobicContact CB-CH2 3.43Å; A174-W202 VanDerWaalsContact CB-CH2 3.43Å; A174-W202 HydrophobicContact CB-CZ2 3.24Å; A174-S210 WeakPolarHBondContact CB-OG 3.23Å
175H95.7Very high96.5Very high15 Ų1544.7 Ų44.77%0.06924%0.243CC..  trans-111.5127.5-174.8-74.6-75.7000111.5I179 S193 D195 N200H175-I179 HydrophobicContact CB-CD1 4.34Å; H175-I179 HydrophobicContact CB-CG1 3.98Å; H175-S193 PolarHBondContact CE1-O 2.79Å; H175-S193 VanDerWaalsContact CE1-O 3.32Å; H175-S193 WeakPolarHBondContact NE2-CB 3.5Å; H175-S193 PolarHBondContact NE2-OG 2.96Å; H175-D195 HydrophobicContact CB-CB 4.49Å; H175-D195 IonicContact CE1-OD2 3.15Å; H175-D195 IonicContact CG-OD2 3.53Å; H175-D195 WeakPolarHBondContact ND1-CB 3.44Å; H175-D195 VanDerWaalsContact ND1-CG 3.32Å; H175-D195 IonicContact ND1-OD2 2.77Å; H175-D195 PolarHBondContact ND1-OD2 3.26Å; H175-N200 PolarHBondContact CE1-ND2 3.47Å; H175-N200 PolarHBondContact ND1-ND2 3.27Å; H175-N200 PolarHBondContact NE2-ND2 2.77Å; H175-N200 VanDerWaalsContact NE2-ND2 3.2Å
176T92.8Very high96.5Very high67 Ų6745.5 Ų45.541%0.41125%0.246SC..SBendtrans-83.7-38.5173.1-550000110.1K116K116-T176 PolarHBondContact NZ-O 3.15Å
177Y94.6Very high96.5Very high49 Ų4945.3 Ų45.319%0.19224%0.243CC..SBendtrans-102.5-172.5-176.4-53.9-79.6000111.4K116 D196 L197 M221K116-Y177 PolarHBondContact NZ-O 2.7Å; Y177-D196 HydrophobicContact CG-CB 4.46Å; Y177-L197 HydrophobicContact CD2-CB 4.19Å; Y177-L197 HydrophobicContact CD2-CD1 4.11Å; Y177-L197 HydrophobicContact CD2-CG 4.2Å; Y177-L197 HydrophobicContact CE1-CD1 4.25Å; Y177-L197 HydrophobicContact CE2-CB 4.18Å; Y177-L197 HydrophobicContact CE2-CD1 3.49Å; Y177-L197 VanDerWaalsContact CE2-CD1 3.49Å; Y177-L197 HydrophobicContact CE2-CG 4.07Å; Y177-M221 HydrophobicContact CE1-CE 4.36Å; Y177-M221 PolarHBondContact OH-SD 2.95Å
178H95.7Very high96.3Very high79 Ų7946.2 Ų46.237%0.36624%0.24SC..  trans-81.9126.7-175.8-60.7-75000110.6D115 N180 D195D115-H178 HydrophobicContact CB-CB 4.39Å; D115-H178 IonicContact OD1-ND1 3.48Å; D115-H178 IonicContact OD2-CE1 2.79Å; D115-H178 PolarHBondContact OD2-CE1 3.11Å; D115-H178 IonicContact OD2-CG 3.58Å; D115-H178 IonicContact OD2-ND1 3.91Å; D115-H178 PolarHBondContact OD2-ND1 3.05Å; H178-N180 PolarHBondContact O-N 3.37Å; H178-D195 VanDerWaalsContact O-CA 3.26Å; H178-D195 WeakPolarHBondContact O-CA 3.5Å; H178-D195 WeakPolarHBondContact O-CB 3.41Å
179I98.3Very high96.3Very high1 Ų146.3 Ų46.31%0.00525%0.246CC..  trans-66.4116.2175.4-61.8168.7000109.3N96 T113 D115 V118 H175 I182 T194N96-I179 PolarHBondContact ND2-O 2.67Å; T113-I179 HydrophobicContact CG2-CG2 4.09Å; D115-I179 WeakPolarHBondContact O-CG1 3.28Å; D115-I179 PolarHBondContact O-N 2.9Å; V118-I179 HydrophobicContact CG2-CD1 4.16Å; H175-I179 HydrophobicContact CB-CD1 4.34Å; H175-I179 HydrophobicContact CB-CG1 3.98Å; I179-I182 HydrophobicContact CG2-CG2 4.31Å; I179-T194 CarbonylContact C-O 3.55Å; I179-T194 VanDerWaalsContact CA-O 3.31Å; I179-T194 WeakPolarHBondContact CA-O 3.41Å
180N96.5Very high96.3Very high23 Ų2342.5 Ų42.512%0.12323%0.233CC..  trans-97.4-26.5179.558.856.3000113H178 T194 D195 I228 T229H178-N180 PolarHBondContact O-N 3.37Å; N180-T194 PolarHBondContact N-O 3.18Å; N180-T194 PolarHBondContact OD1-O 2.74Å; N180-D195 PolarHBondContact ND2-O 3.28Å; N180-I228 PolarHBondContact ND2-O 2.89Å; N180-I228 VanDerWaalsContact ND2-O 3.13Å; N180-T229 PolarHBondContact OD1-O 3.25Å
181S97.8Very high96.3Very high5 Ų539.5 Ų39.54%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-149.7151.5-176.453.40000113.3S193 T194 A231S181-S193 WeakPolarHBondContact O-CA 3.49Å; S181-T194 PolarHBondContact N-O 3.42Å; S181-T194 PolarHBondContact O-N 3.4Å; S181-T194 VanDerWaalsContact OG-CB 3.28Å; S181-T194 WeakPolarHBondContact OG-CB 3.11Å; S181-A231 PolarHBondContact OG-N 2.8Å
182I98.6Very high96.3Very high5 Ų539.4 Ų39.43%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-134.1142.2169.752.2171.3000108.4K97 K99 L111 T113 V118 I179 I192K97-I182 HydrophobicContact CB-CD1 4.19Å; K97-I182 HydrophobicContact CB-CG1 3.81Å; K99-I182 HydrophobicContact CB-CD1 4.16Å; K99-I182 HydrophobicContact CB-CG1 4.37Å; K99-I182 HydrophobicContact CG-CD1 4.23Å; K99-I182 HydrophobicContact CG-CG1 3.94Å; K99-I182 WeakPolarHBondContact CG-O 3.29Å; L111-I182 HydrophobicContact CB-CD1 3.84Å; T113-I182 HydrophobicContact CG2-CD1 3.98Å; T113-I182 HydrophobicContact CG2-CG1 4.15Å; T113-I182 HydrophobicContact CG2-CG2 3.92Å; V118-I182 HydrophobicContact CG1-CG2 4.41Å; V118-I182 HydrophobicContact CG2-CG2 3.96Å; I179-I182 HydrophobicContact CG2-CG2 4.31Å; I182-I192 VanDerWaalsContact CA-O 3.29Å; I182-I192 WeakPolarHBondContact CA-O 3.06Å
183S98.5Very high96.5Very high7 Ų737.4 Ų37.45%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-146.8129.3179.2-169.40000111F191 I192 E232 F233S183-F191 CarbonylContact O-C 3.6Å; S183-F191 VanDerWaalsContact O-CA 3.25Å; S183-F191 WeakPolarHBondContact O-CA 3.32Å; S183-F191 VanDerWaalsContact O-CB 3.29Å; S183-F191 WeakPolarHBondContact O-CB 3.14Å; S183-I192 PolarHBondContact N-O 2.76Å; S183-I192 PolarHBondContact O-N 3.38Å; S183-E232 WeakPolarHBondContact OG-CG 3.43Å; S183-F233 WeakPolarHBondContact O-CD2 3.26Å; S183-F233 PolarHBondContact OG-N 3.49Å
184V97.9Very high96.9Very high28 Ų2829.8 Ų29.817%0.1716%0.16CC..EExtended strand (participates in β ladder)trans-83.4136.2179.2-179.50000109.2K99 L101 L111 F191K99-V184 HydrophobicContact CB-CG2 4.39Å; L101-V184 HydrophobicContact CD1-CG2 4.07Å; L101-V184 HydrophobicContact CG-CG2 4.43Å; L111-V184 HydrophobicContact CD1-CG2 3.84Å; V184-F191 HydrophobicContact CG2-CB 4.45Å
185N98.1Very high97Very high6 Ų628.7 Ų28.73%0.03215%0.151CC..  trans-78.1146.9177.6-165.6-17.6000110.9D187 L188 T190 F233 C238N185-D187 WeakPolarHBondContact CB-OD1 3.49Å; N185-D187 PolarHBondContact ND2-OD2 3.42Å; N185-D187 PolarHBondContact O-N 3.27Å; N185-D187 VanDerWaalsContact O-N 3.09Å; N185-D187 PolarHBondContact OD1-N 3.02Å; N185-L188 PolarHBondContact O-N 3.49Å; N185-L188 VanDerWaalsContact O-N 3.16Å; N185-T190 WeakPolarHBondContact CB-O 2.99Å; N185-T190 VanDerWaalsContact CB-OG1 3.26Å; N185-T190 WeakPolarHBondContact CB-OG1 3.32Å; N185-T190 PolarHBondContact N-O 3.15Å; N185-T190 PolarHBondContact ND2-OG1 3.11Å; N185-F233 HydrophobicContact CB-CD2 3.83Å; N185-F233 HydrophobicContact CB-CE1 4.47Å; N185-F233 HydrophobicContact CB-CE2 3.71Å; N185-F233 HydrophobicContact CB-CG 4.26Å; N185-F233 HydrophobicContact CB-CZ 4.07Å; N185-C238 PolarHBondContact ND2-O 2.85Å; N185-C238 WeakPolarHBondContact OD1-CA 3.49Å; N185-C238 WeakPolarHBondContact OD1-CB 3.33Å; N185-C238 PolarHBondContact OD1-O 3Å
186S96.7Very high97Very high45 Ų4529.8 Ų29.832%0.31516%0.158SC..THydrogen-bonded Turntrans-58.9-12.1170.661.60000114.7L188 C238S186-L188 VanDerWaalsContact C-N 3.27Å; S186-L188 PolarHBondContact O-N 2.85Å; S186-C238 VanDerWaalsContact OG-CA 3.22Å; S186-C238 WeakPolarHBondContact OG-CA 3.45Å; S186-C238 WeakPolarHBondContact OG-CB 3.28Å; S186-C238 PolarHBondContact OG-N 2.86Å
187D96.4Very high97.3Very high58 Ų5826.7 Ų26.731%0.3114%0.139SC..THydrogen-bonded Turntrans-76.3-9.6174.572.86.3000114.3N185 Q189 T190 C238N185-D187 WeakPolarHBondContact CB-OD1 3.49Å; N185-D187 PolarHBondContact ND2-OD2 3.42Å; N185-D187 PolarHBondContact O-N 3.27Å; N185-D187 VanDerWaalsContact O-N 3.09Å; N185-D187 PolarHBondContact OD1-N 3.02Å; D187-Q189 PolarHBondContact O-N 3.29Å; D187-Q189 VanDerWaalsContact O-N 3.14Å; D187-Q189 PolarHBondContact OD1-N 2.97Å; D187-T190 VanDerWaalsContact CG-OG1 3.31Å; D187-T190 PolarHBondContact OD1-N 3.31Å; D187-T190 PolarHBondContact OD1-OG1 3.26Å; D187-T190 PolarHBondContact OD2-OG1 2.6Å; D187-C238 HydrophobicContact CB-CB 4.14Å
188L92.9Very high97.4Very high73 Ų7327.3 Ų27.338%0.38214%0.141SC..SBendtrans59.715-177.8-48.3-177.9000115.3P102 N185 S186P102-L188 HydrophobicContact CB-CD2 4.04Å; P102-L188 HydrophobicContact CG-CD2 3.55Å; N185-L188 PolarHBondContact O-N 3.49Å; N185-L188 VanDerWaalsContact O-N 3.16Å; S186-L188 VanDerWaalsContact C-N 3.27Å; S186-L188 PolarHBondContact O-N 2.85Å
189Q96.3Very high97.5Very high123 Ų12323.6 Ų23.658%0.57512%0.123SC*.SBendtrans-121.4-32.2-179.9-67.8-170.9-2.700112D187 N203 L204D187-Q189 PolarHBondContact O-N 3.29Å; D187-Q189 VanDerWaalsContact O-N 3.14Å; D187-Q189 PolarHBondContact OD1-N 2.97Å; Q189-N203 WeakPolarHBondContact O-CA 3.13Å; Q189-L204 WeakPolarHBondContact O-CG 3.29Å; Q189-L204 PolarHBondContact O-N 2.85Å
190T98.2Very high97.5Very high19 Ų1923.7 Ų23.712%0.11712%0.124CC..EExtended strand (participates in β ladder)trans-117.7160-174.665.40000112.6N185 D187 W202N185-T190 WeakPolarHBondContact CB-O 2.99Å; N185-T190 VanDerWaalsContact CB-OG1 3.26Å; N185-T190 WeakPolarHBondContact CB-OG1 3.32Å; N185-T190 PolarHBondContact N-O 3.15Å; N185-T190 PolarHBondContact ND2-OG1 3.11Å; D187-T190 VanDerWaalsContact CG-OG1 3.31Å; D187-T190 PolarHBondContact OD1-N 3.31Å; D187-T190 PolarHBondContact OD1-OG1 3.26Å; D187-T190 PolarHBondContact OD2-OG1 2.6Å; T190-W202 CarbonylContact C-O 3.56Å; T190-W202 WeakPolarHBondContact CA-O 3.38Å; T190-W202 WeakPolarHBondContact CB-O 3.19Å
191F98.7Very high97.6Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-148159.6169.875.5-84.5000108.9L111 V118 F171 S183 V184 W202 L204L111-F191 HydrophobicContact CD1-CB 4.15Å; L111-F191 HydrophobicContact CD1-CD1 4.16Å; L111-F191 HydrophobicContact CD1-CD2 3.83Å; L111-F191 HydrophobicContact CD1-CE2 4.26Å; L111-F191 HydrophobicContact CD1-CG 3.78Å; V118-F191 HydrophobicContact CB-CE2 4.44Å; V118-F191 HydrophobicContact CG1-CE2 4.03Å; V118-F191 HydrophobicContact CG1-CZ 4.25Å; V118-F191 HydrophobicContact CG2-CE2 4.37Å; F171-F191 HydrophobicContact CB-CZ 4.47Å; F171-F191 HydrophobicContact CD1-CE1 4.21Å; F171-F191 HydrophobicContact CD1-CZ 4.13Å; F171-F191 HydrophobicContact CD2-CE1 4.16Å; F171-F191 AromaticContact CD2-CZ 3.76Å; F171-F191 HydrophobicContact CD2-CZ 3.76Å; F171-F191 AromaticContact CE1-CE1 3.92Å; F171-F191 HydrophobicContact CE1-CE1 3.92Å; F171-F191 HydrophobicContact CE1-CZ 4.29Å; F171-F191 AromaticContact CE2-CE1 3.87Å; F171-F191 HydrophobicContact CE2-CE1 3.87Å; F171-F191 AromaticContact CE2-CZ 3.94Å; F171-F191 HydrophobicContact CE2-CZ 3.94Å; F171-F191 HydrophobicContact CG-CE1 4.33Å; F171-F191 AromaticContact CG-CZ 3.87Å; F171-F191 HydrophobicContact CG-CZ 3.87Å; F171-F191 AromaticContact CZ-CE1 3.75Å; F171-F191 HydrophobicContact CZ-CE1 3.75Å; F171-F191 HydrophobicContact CZ-CZ 4.2Å; S183-F191 CarbonylContact O-C 3.6Å; S183-F191 VanDerWaalsContact O-CA 3.25Å; S183-F191 WeakPolarHBondContact O-CA 3.32Å; S183-F191 VanDerWaalsContact O-CB 3.29Å; S183-F191 WeakPolarHBondContact O-CB 3.14Å; V184-F191 HydrophobicContact CG2-CB 4.45Å; F191-W202 HydrophobicContact CD1-CB 3.71Å; F191-W202 HydrophobicContact CE1-CB 3.29Å; F191-W202 AromaticContact CE1-CG 3.91Å; F191-W202 HydrophobicContact CE1-CG 3.91Å; F191-W202 HydrophobicContact CE2-CB 4.14Å; F191-W202 AromaticContact CE2-CD1 3.67Å; F191-W202 AromaticContact CE2-CG 3.99Å; F191-W202 HydrophobicContact CE2-CG 3.99Å; F191-W202 HydrophobicContact CG-CB 4.31Å; F191-W202 HydrophobicContact CZ-CB 3.52Å; F191-W202 AromaticContact CZ-CD1 3.75Å; F191-W202 HydrophobicContact CZ-CD2 4.26Å; F191-W202 AromaticContact CZ-CG 3.58Å; F191-W202 HydrophobicContact CZ-CG 3.58Å; F191-W202 PolarHBondContact N-O 2.91Å; F191-W202 PolarHBondContact O-N 3.16Å; F191-L204 HydrophobicContact CD1-CD2 3.55Å; F191-L204 HydrophobicContact CD1-CG 4.16Å; F191-L204 HydrophobicContact CE1-CD2 4.02Å; F191-L204 HydrophobicContact CG-CD2 4.45Å
192I98.6Very high97.6Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-107.1146171.555.7175.4000110.2I182 S183 V199 N200 L201 I213 A231 F233 F241I182-I192 VanDerWaalsContact CA-O 3.29Å; I182-I192 WeakPolarHBondContact CA-O 3.06Å; S183-I192 PolarHBondContact N-O 2.76Å; S183-I192 PolarHBondContact O-N 3.38Å; I192-V199 HydrophobicContact CB-CG1 3.89Å; I192-V199 HydrophobicContact CD1-CG1 4.14Å; I192-V199 HydrophobicContact CG2-CG1 3.9Å; I192-N200 CarbonylContact C-O 3.58Å; I192-N200 VanDerWaalsContact CA-O 3.23Å; I192-N200 WeakPolarHBondContact CA-O 3.26Å; I192-L201 HydrophobicContact CG2-CB 4.45Å; I192-L201 HydrophobicContact CG2-CD1 3.84Å; I192-I213 HydrophobicContact CG2-CD1 3.88Å; I192-A231 HydrophobicContact CD1-CB 4.22Å; I192-F233 HydrophobicContact CB-CE2 3.89Å; I192-F233 HydrophobicContact CB-CZ 4.38Å; I192-F233 HydrophobicContact CD1-CD2 4.08Å; I192-F233 HydrophobicContact CD1-CE2 4.09Å; I192-F233 HydrophobicContact CD1-CZ 4.48Å; I192-F233 HydrophobicContact CG1-CD2 3.76Å; I192-F233 HydrophobicContact CG1-CE2 3.58Å; I192-F233 HydrophobicContact CG1-CZ 4.31Å; I192-F233 HydrophobicContact CG2-CD2 4.43Å; I192-F233 HydrophobicContact CG2-CE1 4.49Å; I192-F233 HydrophobicContact CG2-CE2 3.43Å; I192-F233 VanDerWaalsContact CG2-CE2 3.43Å; I192-F233 HydrophobicContact CG2-CZ 3.45Å; I192-F233 VanDerWaalsContact CG2-CZ 3.45Å; I192-F241 HydrophobicContact CD1-CB 4.34Å; I192-F241 HydrophobicContact CD1-CD2 4.31Å; I192-F241 HydrophobicContact CD1-CG 4.48Å
193S98.6Very high97.6Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-122.5141.2161.360.60000109.1H175 S181 N200 W202H175-S193 PolarHBondContact CE1-O 2.79Å; H175-S193 VanDerWaalsContact CE1-O 3.32Å; H175-S193 WeakPolarHBondContact NE2-CB 3.5Å; H175-S193 PolarHBondContact NE2-OG 2.96Å; S181-S193 WeakPolarHBondContact O-CA 3.49Å; S193-N200 PolarHBondContact N-O 3.19Å; S193-N200 PolarHBondContact O-N 3.43Å; S193-W202 PolarHBondContact OG-NE1 3.14Å
194T98.4Very high97.6Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-129.8131-169.6-55.80000109.7I179 N180 S181 R198 V199 I228 A231I179-T194 CarbonylContact C-O 3.55Å; I179-T194 VanDerWaalsContact CA-O 3.31Å; I179-T194 WeakPolarHBondContact CA-O 3.41Å; N180-T194 PolarHBondContact N-O 3.18Å; N180-T194 PolarHBondContact OD1-O 2.74Å; S181-T194 PolarHBondContact N-O 3.42Å; S181-T194 PolarHBondContact O-N 3.4Å; S181-T194 VanDerWaalsContact OG-CB 3.28Å; S181-T194 WeakPolarHBondContact OG-CB 3.11Å; T194-R198 CarbonylContact C-O 3.57Å; T194-R198 WeakPolarHBondContact CA-O 3.48Å; T194-V199 HydrophobicContact CG2-CG2 3.81Å; T194-I228 HydrophobicContact CG2-CB 4.25Å; T194-I228 HydrophobicContact CG2-CD1 4.47Å; T194-I228 HydrophobicContact CG2-CG2 3.47Å; T194-I228 VanDerWaalsContact CG2-CG2 3.47Å; T194-A231 HydrophobicContact CG2-CB 4.04Å; T194-A231 WeakPolarHBondContact OG1-CB 3.38Å
195D97.5Very high97.5Very high0 Ų032.8 Ų32.80%017%0.165CC..  trans-108.2-170.2168.970.134.3000111.1H175 H178 N180 L197 R198H175-D195 HydrophobicContact CB-CB 4.49Å; H175-D195 IonicContact CE1-OD2 3.15Å; H175-D195 IonicContact CG-OD2 3.53Å; H175-D195 WeakPolarHBondContact ND1-CB 3.44Å; H175-D195 VanDerWaalsContact ND1-CG 3.32Å; H175-D195 IonicContact ND1-OD2 2.77Å; H175-D195 PolarHBondContact ND1-OD2 3.26Å; H178-D195 VanDerWaalsContact O-CA 3.26Å; H178-D195 WeakPolarHBondContact O-CA 3.5Å; H178-D195 WeakPolarHBondContact O-CB 3.41Å; N180-D195 PolarHBondContact ND2-O 3.28Å; D195-L197 PolarHBondContact O-N 2.91Å; D195-L197 VanDerWaalsContact O-N 3.16Å; D195-L197 PolarHBondContact OD1-N 2.99Å; D195-R198 PolarHBondContact N-O 2.91Å; D195-R198 WeakPolarHBondContact OD1-CB 3.3Å; D195-R198 PolarHBondContact OD1-N 3.13Å
196D96.8Very high97.5Very high38 Ų3835.4 Ų35.420%0.20318%0.178CC..SBendtrans-61.9-20.5-175.9-57.9-37000114Y177 V227 I228Y177-D196 HydrophobicContact CG-CB 4.46Å; D196-V227 HydrophobicContact CB-CB 4.32Å; D196-V227 HydrophobicContact CB-CG1 4.45Å; D196-V227 CarbonylContact O-C 3.55Å; D196-V227 VanDerWaalsContact O-CA 3.31Å; D196-V227 WeakPolarHBondContact O-CA 3.47Å; D196-V227 WeakPolarHBondContact O-CB 3.4Å; D196-I228 PolarHBondContact O-N 2.94Å
197L97.4Very high97.5Very high2 Ų235.8 Ų35.81%0.0118%0.178CC..SBendtrans-133-11.5-177.2-59.2179.8000114.3Y177 D195 I216 K217 M221 L224 V227Y177-L197 HydrophobicContact CD2-CB 4.19Å; Y177-L197 HydrophobicContact CD2-CD1 4.11Å; Y177-L197 HydrophobicContact CD2-CG 4.2Å; Y177-L197 HydrophobicContact CE1-CD1 4.25Å; Y177-L197 HydrophobicContact CE2-CB 4.18Å; Y177-L197 HydrophobicContact CE2-CD1 3.49Å; Y177-L197 VanDerWaalsContact CE2-CD1 3.49Å; Y177-L197 HydrophobicContact CE2-CG 4.07Å; D195-L197 PolarHBondContact O-N 2.91Å; D195-L197 VanDerWaalsContact O-N 3.16Å; D195-L197 PolarHBondContact OD1-N 2.99Å; L197-I216 HydrophobicContact CB-CG1 4.25Å; L197-I216 HydrophobicContact CD2-CD1 4.23Å; L197-I216 HydrophobicContact CD2-CG1 4.03Å; L197-I216 WeakPolarHBondContact O-CG1 3.4Å; L197-I216 PolarHBondContact O-N 2.7Å; L197-K217 HydrophobicContact CB-CB 4.41Å; L197-K217 HydrophobicContact CD1-CB 4.08Å; L197-K217 HydrophobicContact CD1-CG 4.18Å; L197-M221 HydrophobicContact CD1-CE 4.33Å; L197-M221 HydrophobicContact CD1-SD 4.35Å; L197-L224 HydrophobicContact CD1-CD1 4.48Å; L197-L224 HydrophobicContact CD2-CD1 3.52Å; L197-V227 HydrophobicContact CD2-CG1 4.1Å
198R97.3Very high97.5Very high62 Ų6238.5 Ų38.523%0.23419%0.193CC..EExtended strand (participates in β ladder)trans-136.7144.9-169.5-71.2178.5174.2-171.5-9.9113.3T194 D195 V214 D215T194-R198 CarbonylContact C-O 3.57Å; T194-R198 WeakPolarHBondContact CA-O 3.48Å; D195-R198 PolarHBondContact N-O 2.91Å; D195-R198 WeakPolarHBondContact OD1-CB 3.3Å; D195-R198 PolarHBondContact OD1-N 3.13Å; R198-V214 VanDerWaalsContact CA-O 3.25Å; R198-V214 WeakPolarHBondContact CA-O 3.4Å; R198-D215 HydrophobicContact CG-CB 4.31Å; R198-D215 WeakPolarHBondContact CG-OD1 3.38Å; R198-D215 IonicContact CZ-OD2 2.7Å; R198-D215 VanDerWaalsContact CZ-OD2 3.29Å; R198-D215 VanDerWaalsContact NE-CG 3.31Å; R198-D215 IonicContact NE-OD1 3.49Å; R198-D215 PolarHBondContact NE-OD1 2.83Å; R198-D215 VanDerWaalsContact NE-OD1 3.14Å; R198-D215 IonicContact NE-OD2 3.19Å; R198-D215 PolarHBondContact NE-OD2 3.07Å; R198-D215 VanDerWaalsContact NE-OD2 3.07Å; R198-D215 IonicContact NH2-OD1 3.1Å; R198-D215 IonicContact NH2-OD2 3.87Å; R198-D215 PolarHBondContact NH2-OD2 2.83Å
199V98.1Very high97.6Very high0 Ų043 Ų430%021%0.205CC..EExtended strand (participates in β ladder)trans-114.7122.9167-174.20000108.6I192 T194 N212 I213 V214 I228 F241I192-V199 HydrophobicContact CB-CG1 3.89Å; I192-V199 HydrophobicContact CD1-CG1 4.14Å; I192-V199 HydrophobicContact CG2-CG1 3.9Å; T194-V199 HydrophobicContact CG2-CG2 3.81Å; V199-N212 PolarHBondContact O-ND2 2.91Å; V199-I213 HydrophobicContact CB-CD1 4.48Å; V199-I213 HydrophobicContact CB-CG1 3.96Å; V199-I213 HydrophobicContact CG1-CD1 3.8Å; V199-I213 HydrophobicContact CG1-CG1 3.78Å; V199-I213 WeakPolarHBondContact O-CG1 3.33Å; V199-I213 PolarHBondContact O-N 3.47Å; V199-V214 HydrophobicContact CB-CB 3.87Å; V199-V214 HydrophobicContact CB-CG2 4.13Å; V199-V214 HydrophobicContact CG2-CB 3.84Å; V199-V214 HydrophobicContact CG2-CG1 4.42Å; V199-V214 HydrophobicContact CG2-CG2 4.1Å; V199-V214 PolarHBondContact N-O 2.95Å; V199-V214 PolarHBondContact O-N 3.2Å; V199-I228 HydrophobicContact CG2-CD1 4.04Å; V199-F241 HydrophobicContact CG1-CE2 4.39Å; V199-F241 HydrophobicContact CG2-CE2 4.5Å
200N98.3Very high97.6Very high4 Ų439.4 Ų39.42%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-110.7129.1178.2-67.4-33.1000110.1A174 H175 I192 S193 F211 N212A174-N200 PolarHBondContact O-ND2 2.98Å; H175-N200 PolarHBondContact CE1-ND2 3.47Å; H175-N200 PolarHBondContact ND1-ND2 3.27Å; H175-N200 PolarHBondContact NE2-ND2 2.77Å; H175-N200 VanDerWaalsContact NE2-ND2 3.2Å; I192-N200 CarbonylContact C-O 3.58Å; I192-N200 VanDerWaalsContact CA-O 3.23Å; I192-N200 WeakPolarHBondContact CA-O 3.26Å; S193-N200 PolarHBondContact N-O 3.19Å; S193-N200 PolarHBondContact O-N 3.43Å; N200-F211 CarbonylContact C-O 3.51Å; N200-F211 WeakPolarHBondContact CA-O 3.15Å; N200-N212 WeakPolarHBondContact OD1-CA 3.37Å; N200-N212 WeakPolarHBondContact OD1-CB 3.35Å; N200-N212 PolarHBondContact OD1-ND2 3.39Å
201L98.3Very high97.6Very high29 Ų2943.1 Ų43.115%0.15221%0.208CC..EExtended strand (participates in β ladder)trans-91132.9172.2-175.571.6000110.2I192 S210 F211 I213 F233 M255I192-L201 HydrophobicContact CG2-CB 4.45Å; I192-L201 HydrophobicContact CG2-CD1 3.84Å; L201-S210 WeakPolarHBondContact O-CA 3.45Å; L201-F211 PolarHBondContact N-O 3.03Å; L201-F211 PolarHBondContact O-N 3.48Å; L201-I213 HydrophobicContact CB-CD1 4.41Å; L201-I213 HydrophobicContact CB-CG2 3.92Å; L201-I213 HydrophobicContact CD2-CG2 4.45Å; L201-F233 HydrophobicContact CD1-CE2 4.45Å; L201-F233 HydrophobicContact CD1-CZ 3.92Å; L201-M255 HydrophobicContact CD1-CE 4.14Å; L201-M255 HydrophobicContact CD2-CE 3.61Å; L201-M255 HydrophobicContact CG-CE 4.46Å
202W98.6Very high97.5Very high7 Ų745.1 Ų45.13%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-123.8153.4-179.9-61.287.8000110.9F171 A174 T190 F191 S193F171-W202 HydrophobicContact CB-CD2 4.27Å; F171-W202 HydrophobicContact CB-CE3 3.98Å; F171-W202 HydrophobicContact CB-CH2 3.84Å; F171-W202 HydrophobicContact CB-CZ2 4.13Å; F171-W202 HydrophobicContact CB-CZ3 3.78Å; F171-W202 HydrophobicContact CD1-CD2 4.14Å; F171-W202 AromaticContact CD1-CE3 3.56Å; F171-W202 HydrophobicContact CD1-CE3 3.56Å; F171-W202 AromaticContact CD1-CZ3 3.98Å; F171-W202 HydrophobicContact CD1-CZ3 3.98Å; F171-W202 HydrophobicContact CG-CE3 4.18Å; F171-W202 HydrophobicContact CG-CZ3 4.38Å; A174-W202 HydrophobicContact CB-CH2 3.43Å; A174-W202 VanDerWaalsContact CB-CH2 3.43Å; A174-W202 HydrophobicContact CB-CZ2 3.24Å; T190-W202 CarbonylContact C-O 3.56Å; T190-W202 WeakPolarHBondContact CA-O 3.38Å; T190-W202 WeakPolarHBondContact CB-O 3.19Å; F191-W202 HydrophobicContact CD1-CB 3.71Å; F191-W202 HydrophobicContact CE1-CB 3.29Å; F191-W202 AromaticContact CE1-CG 3.91Å; F191-W202 HydrophobicContact CE1-CG 3.91Å; F191-W202 HydrophobicContact CE2-CB 4.14Å; F191-W202 AromaticContact CE2-CD1 3.67Å; F191-W202 AromaticContact CE2-CG 3.99Å; F191-W202 HydrophobicContact CE2-CG 3.99Å; F191-W202 HydrophobicContact CG-CB 4.31Å; F191-W202 HydrophobicContact CZ-CB 3.52Å; F191-W202 AromaticContact CZ-CD1 3.75Å; F191-W202 HydrophobicContact CZ-CD2 4.26Å; F191-W202 AromaticContact CZ-CG 3.58Å; F191-W202 HydrophobicContact CZ-CG 3.58Å; F191-W202 PolarHBondContact N-O 2.91Å; F191-W202 PolarHBondContact O-N 3.16Å; S193-W202 PolarHBondContact OG-NE1 3.14Å
203N98.3Very high97.5Very high47 Ų4745.2 Ų45.225%0.25122%0.22SC..EExtended strand (participates in β ladder)trans-98.8135.3161.9-177.1-60.3000108.5F171 Q189 E205 I206F171-N203 WeakPolarHBondContact CE1-O 3.44Å; Q189-N203 WeakPolarHBondContact O-CA 3.13Å; N203-E205 PolarHBondContact O-N 3.05Å; N203-E205 PolarHBondContact OD1-N 2.67Å; N203-I206 HydrophobicContact CB-CB 4.14Å; N203-I206 HydrophobicContact CB-CD1 4.16Å; N203-I206 HydrophobicContact CB-CG1 4.14Å; N203-I206 PolarHBondContact O-N 3.09Å; N203-I206 VanDerWaalsContact O-N 3.09Å; N203-I206 VanDerWaalsContact O-O 3.09Å
204L97.3Very high97.4Very high17 Ų1745.5 Ų45.59%0.08922%0.221CC..THydrogen-bonded Turntrans-58.8-20.7-177.4-71.4168.1000114L101 L111 Q189 F191L101-L204 HydrophobicContact CD2-CD1 3.73Å; L101-L204 HydrophobicContact CD2-CD2 4.02Å; L111-L204 HydrophobicContact CD1-CD2 4.41Å; L111-L204 HydrophobicContact CD2-CD2 4.39Å; Q189-L204 WeakPolarHBondContact O-CG 3.29Å; Q189-L204 PolarHBondContact O-N 2.85Å; F191-L204 HydrophobicContact CD1-CD2 3.55Å; F191-L204 HydrophobicContact CD1-CG 4.16Å; F191-L204 HydrophobicContact CE1-CD2 4.02Å; F191-L204 HydrophobicContact CG-CD2 4.45Å
205E97.2Very high97.3Very high158 Ų15848.9 Ų48.974%0.73824%0.239SC*.THydrogen-bonded Turntrans-98.8-15.2-179.7-57.6-165.3151.900114N203N203-E205 PolarHBondContact O-N 3.05Å; N203-E205 PolarHBondContact OD1-N 2.67Å
206I97.6Very high97.2Very high62 Ų6251.1 Ų51.132%0.31825%0.251SS..EExtended strand (participates in β ladder)trans-113.9115.3-172.5-55.3178.9000109.7F171 N203 D208 R209F171-I206 WeakPolarHBondContact CE1-O 3.35Å; N203-I206 HydrophobicContact CB-CB 4.14Å; N203-I206 HydrophobicContact CB-CD1 4.16Å; N203-I206 HydrophobicContact CB-CG1 4.14Å; N203-I206 PolarHBondContact O-N 3.09Å; N203-I206 VanDerWaalsContact O-N 3.09Å; N203-I206 VanDerWaalsContact O-O 3.09Å; I206-D208 WeakPolarHBondContact CG2-OD1 3.39Å; I206-R209 HydrophobicContact CG2-CB 4.34Å
207T97.1Very high97.1Very high52 Ų5253.7 Ų53.732%0.31926%0.26SS..EExtended strand (participates in β ladder)trans-106-17.6-17454.80000114.4R169 V170 F171R169-T207 HydrophobicContact CB-CG2 3.75Å; R169-T207 HydrophobicContact CG-CG2 4.15Å; V170-T207 WeakPolarHBondContact O-CB 2.93Å; V170-T207 WeakPolarHBondContact O-CG2 3.24Å; F171-T207 HydrophobicContact CD1-CG2 3.89Å; F171-T207 HydrophobicContact CE1-CG2 3.78Å; F171-T207 HydrophobicContact CZ-CG2 4.33Å
208D95.1Very high96.9Very high116 Ų11654.9 Ų54.962%0.6227%0.268SS*.EExtended strand (participates in β ladder)trans-86.5-11.1-174.764.3-43.7000113.2I206I206-D208 WeakPolarHBondContact CG2-OD1 3.39Å
209R95.8Very high96.7Very high166 Ų16657.4 Ų57.463%0.62630%0.302SS*.EExtended strand (participates in β ladder)trans-142.9138-175.3-69.8174.1-74.9167.43.8110.8I206I206-R209 HydrophobicContact CG2-CB 4.34Å
210S97.2Very high96.6Very high48 Ų4860.3 Ų60.334%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-128.8159.3165.865.80000109.4A174 L201A174-S210 WeakPolarHBondContact CB-OG 3.23Å; L201-S210 WeakPolarHBondContact O-CA 3.45Å
211F97.5Very high96.3Very high97 Ų9763.9 Ų63.943%0.42534%0.335SS..EExtended strand (participates in β ladder)trans-112.3118.6176-179.9-122.3000109.6N200 L201 I213 A259 L260N200-F211 CarbonylContact C-O 3.51Å; N200-F211 WeakPolarHBondContact CA-O 3.15Å; L201-F211 PolarHBondContact N-O 3.03Å; L201-F211 PolarHBondContact O-N 3.48Å; F211-I213 HydrophobicContact CD1-CG2 3.4Å; F211-I213 VanDerWaalsContact CD1-CG2 3.4Å; F211-I213 HydrophobicContact CE1-CG2 3.62Å; F211-I213 HydrophobicContact CG-CG2 4.41Å; F211-I213 PolarHBondContact O-N 2.73Å; F211-A259 VanDerWaalsContact CE1-O 3.28Å; F211-A259 WeakPolarHBondContact CE1-O 3.19Å; F211-A259 HydrophobicContact CZ-CB 4.4Å; F211-L260 HydrophobicContact CE2-CD2 4.34Å; F211-L260 HydrophobicContact CZ-CD2 3.88Å
212N97.2Very high96Very high43 Ų4370.8 Ų70.823%0.2337%0.366CS..EExtended strand (participates in β ladder)trans-74.7116.9175.7179.9-101.1000109.6V199 N200 V214 D215V199-N212 PolarHBondContact O-ND2 2.91Å; N200-N212 WeakPolarHBondContact OD1-CA 3.37Å; N200-N212 WeakPolarHBondContact OD1-CB 3.35Å; N200-N212 PolarHBondContact OD1-ND2 3.39Å; N212-V214 PolarHBondContact ND2-O 2.69Å; N212-V214 PolarHBondContact OD1-O 2.85Å; N212-D215 WeakPolarHBondContact OD1-CB 3.41Å
213I97.2Very high95.8Very high2 Ų276.5 Ų76.51%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-102.2-22.2-177.257.9171.7000112.8I192 V199 L201 F211 F241 C261I192-I213 HydrophobicContact CG2-CD1 3.88Å; V199-I213 HydrophobicContact CB-CD1 4.48Å; V199-I213 HydrophobicContact CB-CG1 3.96Å; V199-I213 HydrophobicContact CG1-CD1 3.8Å; V199-I213 HydrophobicContact CG1-CG1 3.78Å; V199-I213 WeakPolarHBondContact O-CG1 3.33Å; V199-I213 PolarHBondContact O-N 3.47Å; L201-I213 HydrophobicContact CB-CD1 4.41Å; L201-I213 HydrophobicContact CB-CG2 3.92Å; L201-I213 HydrophobicContact CD2-CG2 4.45Å; F211-I213 HydrophobicContact CD1-CG2 3.4Å; F211-I213 VanDerWaalsContact CD1-CG2 3.4Å; F211-I213 HydrophobicContact CE1-CG2 3.62Å; F211-I213 HydrophobicContact CG-CG2 4.41Å; F211-I213 PolarHBondContact O-N 2.73Å; I213-F241 HydrophobicContact CD1-CD1 4.35Å; I213-F241 HydrophobicContact CD1-CE1 3.65Å; I213-F241 HydrophobicContact CD1-CE2 4.36Å; I213-F241 HydrophobicContact CD1-CZ 3.66Å; I213-F241 HydrophobicContact CG1-CZ 4.29Å; I213-C261 WeakPolarHBondContact O-CA 3.28Å; I213-C261 WeakPolarHBondContact O-CB 3.46Å; I213-C261 PolarHBondContact O-N 3.19Å
214V97.3Very high95.6Very high5 Ų577.4 Ų77.43%0.0340%0.398CS..EExtended strand (participates in β ladder)trans-136.7131.9174178.80000108.2R198 V199 N212 I216 I228 F241 Y243 C261R198-V214 VanDerWaalsContact CA-O 3.25Å; R198-V214 WeakPolarHBondContact CA-O 3.4Å; V199-V214 HydrophobicContact CB-CB 3.87Å; V199-V214 HydrophobicContact CB-CG2 4.13Å; V199-V214 HydrophobicContact CG2-CB 3.84Å; V199-V214 HydrophobicContact CG2-CG1 4.42Å; V199-V214 HydrophobicContact CG2-CG2 4.1Å; V199-V214 PolarHBondContact N-O 2.95Å; V199-V214 PolarHBondContact O-N 3.2Å; N212-V214 PolarHBondContact ND2-O 2.69Å; N212-V214 PolarHBondContact OD1-O 2.85Å; V214-I216 HydrophobicContact CG1-CG2 3.98Å; V214-I228 HydrophobicContact CG1-CD1 4.18Å; V214-F241 HydrophobicContact CG2-CE2 3.98Å; V214-F241 HydrophobicContact CG2-CZ 3.69Å; V214-Y243 HydrophobicContact CG1-CE1 4.16Å; V214-Y243 HydrophobicContact CG2-CE1 4.19Å; V214-C261 HydrophobicContact CG2-CB 3.93Å
215D95.8Very high95.4Very high72 Ų7281.5 Ų81.539%0.38542%0.424SS..EExtended strand (participates in β ladder)trans-136.7105.8169.4-163.5-1.4000108.5R198 N212 K217R198-D215 HydrophobicContact CG-CB 4.31Å; R198-D215 WeakPolarHBondContact CG-OD1 3.38Å; R198-D215 IonicContact CZ-OD2 2.7Å; R198-D215 VanDerWaalsContact CZ-OD2 3.29Å; R198-D215 VanDerWaalsContact NE-CG 3.31Å; R198-D215 IonicContact NE-OD1 3.49Å; R198-D215 PolarHBondContact NE-OD1 2.83Å; R198-D215 VanDerWaalsContact NE-OD1 3.14Å; R198-D215 IonicContact NE-OD2 3.19Å; R198-D215 PolarHBondContact NE-OD2 3.07Å; R198-D215 VanDerWaalsContact NE-OD2 3.07Å; R198-D215 IonicContact NH2-OD1 3.1Å; R198-D215 IonicContact NH2-OD2 3.87Å; R198-D215 PolarHBondContact NH2-OD2 2.83Å; N212-D215 WeakPolarHBondContact OD1-CB 3.41Å; D215-K217 VanDerWaalsContact C-N 3.34Å; D215-K217 WeakPolarHBondContact OD1-CB 3.24Å; D215-K217 PolarHBondContact OD1-N 2.67Å; D215-K217 VanDerWaalsContact OD1-N 3.16Å
216I95.1Very high95.3Very high46 Ų4675.6 Ų75.624%0.23640%0.396CS..  trans-96.710.4175.165.9161.1000111.9L197 V214 P218 I228L197-I216 HydrophobicContact CB-CG1 4.25Å; L197-I216 HydrophobicContact CD2-CD1 4.23Å; L197-I216 HydrophobicContact CD2-CG1 4.03Å; L197-I216 WeakPolarHBondContact O-CG1 3.4Å; L197-I216 PolarHBondContact O-N 2.7Å; V214-I216 HydrophobicContact CG1-CG2 3.98Å; I216-P218 WeakPolarHBondContact O-CD 3.36Å; I216-I228 HydrophobicContact CD1-CD1 4.31Å; I216-I228 HydrophobicContact CD1-CG1 3.59Å; I216-I228 HydrophobicContact CG1-CD1 4.22Å; I216-I228 HydrophobicContact CG1-CG1 4.03Å
217K95.2Very high95.2Very high93 Ų9374.6 Ų74.640%0.40439%0.393SS..  trans-60.5121.9179.1178.3178.2171.4172.70110.4L197 D215 M221L197-K217 HydrophobicContact CB-CB 4.41Å; L197-K217 HydrophobicContact CD1-CB 4.08Å; L197-K217 HydrophobicContact CD1-CG 4.18Å; D215-K217 VanDerWaalsContact C-N 3.34Å; D215-K217 WeakPolarHBondContact OD1-CB 3.24Å; D215-K217 PolarHBondContact OD1-N 2.67Å; D215-K217 VanDerWaalsContact OD1-N 3.16Å; K217-M221 HydrophobicContact CG-SD 4.22Å
218P94Very high95.3Very high26 Ų2672.2 Ų72.217%0.16938%0.378CS..  trans-68.5156.7175.330.9-36.5000110.9I216 N220 E223 L224I216-P218 WeakPolarHBondContact O-CD 3.36Å; P218-N220 VanDerWaalsContact C-N 3.28Å; P218-N220 WeakPolarHBondContact CB-O 3.29Å; P218-N220 VanDerWaalsContact CG-O 3.24Å; P218-N220 WeakPolarHBondContact CG-O 3.48Å; P218-N220 PolarHBondContact O-N 3.37Å; P218-E223 HydrophobicContact CB-CB 4.49Å; P218-L224 HydrophobicContact CG-CB 4.18Å; P218-L224 HydrophobicContact CG-CD1 4.2Å
219A93.3Very high95.4Very high115 Ų11567.2 Ų67.295%0.9535%0.352SS*.SBendtrans-61.3-40.1175.700000111.5
220N94.4Very high95.5Very high62 Ų6259.6 Ų59.633%0.33232%0.324SS..SBendtrans-107.8123.7169.8-174.71.6000109.9P218 E222 E223P218-N220 VanDerWaalsContact C-N 3.28Å; P218-N220 WeakPolarHBondContact CB-O 3.29Å; P218-N220 VanDerWaalsContact CG-O 3.24Å; P218-N220 WeakPolarHBondContact CG-O 3.48Å; P218-N220 PolarHBondContact O-N 3.37Å; N220-E222 PolarHBondContact ND2-OE2 2.84Å; N220-E222 PolarHBondContact O-N 3.21Å; N220-E222 PolarHBondContact OD1-N 3.37Å; N220-E222 VanDerWaalsContact OD1-N 3.08Å; N220-E223 HydrophobicContact CB-CG 4.13Å; N220-E223 WeakPolarHBondContact O-CB 3.45Å; N220-E223 PolarHBondContact O-N 3.37Å
221M92.6Very high95.6Very high79 Ų7957.4 Ų57.439%0.38931%0.309SS..G310 helixtrans-63.6-21.6177.9-75.7-62.9-56.800113.3Y177 L197 K217 E223 L224Y177-M221 HydrophobicContact CE1-CE 4.36Å; Y177-M221 PolarHBondContact OH-SD 2.95Å; L197-M221 HydrophobicContact CD1-CE 4.33Å; L197-M221 HydrophobicContact CD1-SD 4.35Å; K217-M221 HydrophobicContact CG-SD 4.22Å; M221-E223 PolarHBondContact O-N 2.82Å; M221-L224 HydrophobicContact CE-CD2 4.06Å; M221-L224 VanDerWaalsContact O-CB 3.25Å; M221-L224 WeakPolarHBondContact O-CB 3.29Å; M221-L224 PolarHBondContact O-N 2.99Å
222E93.3Very high95.6Very high173 Ų17354 Ų5481%0.80829%0.294SS*.G310 helixtrans-69.4-20.7174.6-61.7176.3159.400112.7N220 L224N220-E222 PolarHBondContact ND2-OE2 2.84Å; N220-E222 PolarHBondContact O-N 3.21Å; N220-E222 PolarHBondContact OD1-N 3.37Å; N220-E222 VanDerWaalsContact OD1-N 3.08Å; E222-L224 VanDerWaalsContact C-N 3.26Å; E222-L224 PolarHBondContact O-N 2.91Å
223E92.9Very high95.7Very high128 Ų12852.2 Ų52.260%0.59828%0.284SS*.G310 helixtrans-89.310177.2-62.4176.4179.200112.3P218 N220 M221 T225P218-E223 HydrophobicContact CB-CB 4.49Å; N220-E223 HydrophobicContact CB-CG 4.13Å; N220-E223 WeakPolarHBondContact O-CB 3.45Å; N220-E223 PolarHBondContact O-N 3.37Å; M221-E223 PolarHBondContact O-N 2.82Å; E223-T225 PolarHBondContact O-N 2.92Å; E223-T225 VanDerWaalsContact O-N 3.1Å
224L94.1Very high95.7Very high65 Ų6552.4 Ų52.434%0.3429%0.285SS..  trans-65.8113.1179.4-177.965.4000110.5L197 P218 M221 E222 E226 V227L197-L224 HydrophobicContact CD1-CD1 4.48Å; L197-L224 HydrophobicContact CD2-CD1 3.52Å; P218-L224 HydrophobicContact CG-CB 4.18Å; P218-L224 HydrophobicContact CG-CD1 4.2Å; M221-L224 HydrophobicContact CE-CD2 4.06Å; M221-L224 VanDerWaalsContact O-CB 3.25Å; M221-L224 WeakPolarHBondContact O-CB 3.29Å; M221-L224 PolarHBondContact O-N 2.99Å; E222-L224 VanDerWaalsContact C-N 3.26Å; E222-L224 PolarHBondContact O-N 2.91Å; L224-E226 VanDerWaalsContact CD1-O 3.29Å; L224-E226 WeakPolarHBondContact CD1-O 3.25Å; L224-V227 HydrophobicContact CD1-CG1 4.33Å; L224-V227 HydrophobicContact CD2-CG1 4.12Å; L224-V227 HydrophobicContact CG-CG1 4.46Å
225T93.2Very high95.7Very high103 Ų10355 Ų5563%0.63230%0.302SS*.  trans-116-15.4-179.4520000113.4E223 K247E223-T225 PolarHBondContact O-N 2.92Å; E223-T225 VanDerWaalsContact O-N 3.1Å; T225-K247 WeakPolarHBondContact O-CE 3.44Å
226E94.8Very high95.7Very high35 Ų3557.6 Ų57.616%0.16431%0.312CS..  trans-146.8137.1-171.3-175.2175.1-158.200110.3L224 S245 K247 S249 R251L224-E226 VanDerWaalsContact CD1-O 3.29Å; L224-E226 WeakPolarHBondContact CD1-O 3.25Å; E226-S245 WeakPolarHBondContact OE1-CB 3.46Å; E226-S245 PolarHBondContact OE1-OG 3.09Å; E226-K247 HydrophobicContact CB-CG 4.17Å; E226-K247 HydrophobicContact CG-CB 4.47Å; E226-K247 HydrophobicContact CG-CG 4.06Å; E226-S249 PolarHBondContact OE1-OG 2.91Å; E226-R251 IonicContact OE1-CZ 2.65Å; E226-R251 IonicContact OE1-NH1 3.66Å; E226-R251 PolarHBondContact OE1-NH1 3.35Å; E226-R251 IonicContact OE1-NH2 3.29Å; E226-R251 PolarHBondContact OE1-NH2 2.97Å; E226-R251 VanDerWaalsContact OE1-NH2 3.15Å; E226-R251 IonicContact OE2-CZ 3.74Å; E226-R251 IonicContact OE2-NH1 2.7Å; E226-R251 IonicContact OE2-NH2 3.88Å; E226-R251 PolarHBondContact OE2-NH2 3.01Å
227V97.3Very high95.8Very high41 Ų4159.3 Ų59.325%0.24832%0.319CS..  trans-125151.1172.7-61.80000110.5D196 L197 L224 S245 S246D196-V227 HydrophobicContact CB-CB 4.32Å; D196-V227 HydrophobicContact CB-CG1 4.45Å; D196-V227 CarbonylContact O-C 3.55Å; D196-V227 VanDerWaalsContact O-CA 3.31Å; D196-V227 WeakPolarHBondContact O-CA 3.47Å; D196-V227 WeakPolarHBondContact O-CB 3.4Å; L197-V227 HydrophobicContact CD2-CG1 4.1Å; L224-V227 HydrophobicContact CD1-CG1 4.33Å; L224-V227 HydrophobicContact CD2-CG1 4.12Å; L224-V227 HydrophobicContact CG-CG1 4.46Å; V227-S245 CarbonylContact O-C 3.58Å; V227-S245 WeakPolarHBondContact O-CA 3.24Å; V227-S245 WeakPolarHBondContact O-CB 3.02Å; V227-S246 PolarHBondContact N-OG 2.64Å; V227-S246 VanDerWaalsContact N-OG 3.13Å; V227-S246 PolarHBondContact O-N 2.83Å
228I98.2Very high95.9Very high1 Ų157.4 Ų57.41%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-75.2130.6171.7-52.4-180000108.4N180 T194 D196 V199 V214 I216 Y243 S244N180-I228 PolarHBondContact ND2-O 2.89Å; N180-I228 VanDerWaalsContact ND2-O 3.13Å; T194-I228 HydrophobicContact CG2-CB 4.25Å; T194-I228 HydrophobicContact CG2-CD1 4.47Å; T194-I228 HydrophobicContact CG2-CG2 3.47Å; T194-I228 VanDerWaalsContact CG2-CG2 3.47Å; D196-I228 PolarHBondContact O-N 2.94Å; V199-I228 HydrophobicContact CG2-CD1 4.04Å; V214-I228 HydrophobicContact CG1-CD1 4.18Å; I216-I228 HydrophobicContact CD1-CD1 4.31Å; I216-I228 HydrophobicContact CD1-CG1 3.59Å; I216-I228 HydrophobicContact CG1-CD1 4.22Å; I216-I228 HydrophobicContact CG1-CG1 4.03Å; I228-Y243 HydrophobicContact CD1-CD2 4.12Å; I228-Y243 HydrophobicContact CD1-CE2 4.27Å; I228-Y243 HydrophobicContact CG1-CD2 3.96Å; I228-Y243 HydrophobicContact CG1-CE2 4.18Å; I228-Y243 HydrophobicContact CG2-CD2 3.98Å; I228-Y243 HydrophobicContact CG2-CG 4.37Å; I228-S244 WeakPolarHBondContact CA-O 3.47Å
229T97.9Very high96Very high11 Ų1157.4 Ų57.47%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-108.4-30.8-175.854.70000113.7N180 S244 I287N180-T229 PolarHBondContact OD1-O 3.25Å; T229-S244 PolarHBondContact N-O 2.91Å; T229-S244 PolarHBondContact OG1-O 2.92Å; T229-S244 PolarHBondContact OG1-OG 2.6Å; T229-I287 WeakPolarHBondContact CB-O 3.35Å; T229-I287 WeakPolarHBondContact CG2-O 3.46Å; T229-I287 PolarHBondContact OG1-O 3.18Å
230S97.9Very high96.2Very high6 Ų652.3 Ų52.34%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-161.3151.4177.4-1710000109.8Y243 S244S230-Y243 CarbonylContact O-C 3.52Å; S230-Y243 VanDerWaalsContact O-CA 3.24Å; S230-Y243 WeakPolarHBondContact O-CA 3.19Å; S230-S244 PolarHBondContact N-OG 3.19Å; S230-S244 PolarHBondContact O-N 2.93Å; S230-S244 PolarHBondContact O-OG 3.21Å
231A98.2Very high96.4Very high3 Ų349.4 Ų49.43%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-144146.9172.700000111.6S181 I192 T194 A242S181-A231 PolarHBondContact OG-N 2.8Å; I192-A231 HydrophobicContact CD1-CB 4.22Å; T194-A231 HydrophobicContact CG2-CB 4.04Å; T194-A231 WeakPolarHBondContact OG1-CB 3.38Å; A231-A242 CarbonylContact C-O 3.56Å; A231-A242 WeakPolarHBondContact CA-O 3.41Å
232E98.3Very high96.7Very high24 Ų2445.6 Ų45.611%0.11224%0.238CC..EExtended strand (participates in β ladder)trans-145.5142.7178.8-159.9173-131.700111.4K99 S183 F241 A242 K291 F292K99-E232 IonicContact NZ-OE1 3.81Å; S183-E232 WeakPolarHBondContact OG-CG 3.43Å; E232-F241 CarbonylContact O-C 3.58Å; E232-F241 VanDerWaalsContact O-CA 3.28Å; E232-F241 WeakPolarHBondContact O-CA 3.37Å; E232-F241 WeakPolarHBondContact O-CB 3.37Å; E232-A242 PolarHBondContact N-O 3.16Å; E232-A242 PolarHBondContact O-N 3.2Å; E232-K291 IonicContact OE1-NZ 2.78Å; E232-K291 VanDerWaalsContact OE2-CA 3.22Å; E232-K291 WeakPolarHBondContact OE2-CA 3.41Å; E232-F292 HydrophobicContact CB-CD2 4.22Å; E232-F292 HydrophobicContact CB-CE2 4.45Å; E232-F292 HydrophobicContact CG-CD2 4.39Å; E232-F292 WeakPolarHBondContact O-CE2 3.47Å; E232-F292 PolarHBondContact OE2-N 3.44Å
233F98.4Very high96.9Very high6 Ų637.8 Ų37.83%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-72.4149.4167.3-88.3-64000111.5S183 N185 I192 L201 T240 F241 M255 F292S183-F233 WeakPolarHBondContact O-CD2 3.26Å; S183-F233 PolarHBondContact OG-N 3.49Å; N185-F233 HydrophobicContact CB-CD2 3.83Å; N185-F233 HydrophobicContact CB-CE1 4.47Å; N185-F233 HydrophobicContact CB-CE2 3.71Å; N185-F233 HydrophobicContact CB-CG 4.26Å; N185-F233 HydrophobicContact CB-CZ 4.07Å; I192-F233 HydrophobicContact CB-CE2 3.89Å; I192-F233 HydrophobicContact CB-CZ 4.38Å; I192-F233 HydrophobicContact CD1-CD2 4.08Å; I192-F233 HydrophobicContact CD1-CE2 4.09Å; I192-F233 HydrophobicContact CD1-CZ 4.48Å; I192-F233 HydrophobicContact CG1-CD2 3.76Å; I192-F233 HydrophobicContact CG1-CE2 3.58Å; I192-F233 HydrophobicContact CG1-CZ 4.31Å; I192-F233 HydrophobicContact CG2-CD2 4.43Å; I192-F233 HydrophobicContact CG2-CE1 4.49Å; I192-F233 HydrophobicContact CG2-CE2 3.43Å; I192-F233 VanDerWaalsContact CG2-CE2 3.43Å; I192-F233 HydrophobicContact CG2-CZ 3.45Å; I192-F233 VanDerWaalsContact CG2-CZ 3.45Å; L201-F233 HydrophobicContact CD1-CE2 4.45Å; L201-F233 HydrophobicContact CD1-CZ 3.92Å; F233-T240 WeakPolarHBondContact CD1-O 3.4Å; F233-F241 HydrophobicContact CD1-CB 3.69Å; F233-F241 HydrophobicContact CE1-CB 4.02Å; F233-F241 HydrophobicContact CE1-CD1 4.35Å; F233-F241 HydrophobicContact CG-CB 4.32Å; F233-M255 HydrophobicContact CE1-SD 3.79Å; F233-M255 HydrophobicContact CZ-SD 4.26Å; F233-F292 WeakPolarHBondContact O-CD2 3.2Å
234H98.4Very high97.2Very high6 Ų631.7 Ų31.73%0.02817%0.172CC..  trans-65.1135.2168.5-173.9-80.7000109.8Q236 Q237 T240 F292 G296H234-Q236 PolarHBondContact ND1-N 2.83Å; H234-Q236 VanDerWaalsContact ND1-N 3.15Å; H234-Q236 PolarHBondContact O-N 3.15Å; H234-Q237 HydrophobicContact CB-CB 3.98Å; H234-Q237 WeakPolarHBondContact ND1-CB 3.42Å; H234-Q237 PolarHBondContact ND1-N 2.97Å; H234-T240 HydrophobicContact CB-CG2 4.13Å; H234-T240 VanDerWaalsContact CB-O 3.3Å; H234-T240 WeakPolarHBondContact CB-O 3.2Å; H234-T240 PolarHBondContact N-O 3.38Å; H234-F292 HydrophobicContact CB-CE1 4.45Å; H234-F292 HydrophobicContact CB-CZ 4.35Å; H234-F292 AromaticContact CD2-CD1 3.84Å; H234-F292 AromaticContact CD2-CE1 3.75Å; H234-G296 VanDerWaalsContact NE2-CA 3.3Å; H234-G296 WeakPolarHBondContact NE2-CA 3.41Å; H234-G296 PolarHBondContact NE2-O 3.03Å
235P96.5Very high97.3Very high59 Ų5928.6 Ų28.638%0.38316%0.156SC..SBendtrans-63.5-21.4-171.123.3-35.3000114.4F292P235-F292 HydrophobicContact CG-CB 4.27Å
236Q96.1Very high97.4Very high127 Ų12725 Ų2559%0.59314%0.135SC*.SBendtrans-125.1-15.7-175.4-57.8170.52.700114.3H234H234-Q236 PolarHBondContact ND1-N 2.83Å; H234-Q236 VanDerWaalsContact ND1-N 3.15Å; H234-Q236 PolarHBondContact O-N 3.15Å
237Q97.3Very high97.4Very high83 Ų8326.8 Ų26.839%0.38814%0.142SC..  trans-114.2100.6-169.4-71.1179.8-18.600108.1H234 H239 T240H234-Q237 HydrophobicContact CB-CB 3.98Å; H234-Q237 WeakPolarHBondContact ND1-CB 3.42Å; H234-Q237 PolarHBondContact ND1-N 2.97Å; Q237-H239 PolarHBondContact O-N 3.39Å; Q237-T240 PolarHBondContact O-N 3.4Å; Q237-T240 PolarHBondContact OE1-OG1 2.84Å
238C97.3Very high97.3Very high53 Ų5325.6 Ų25.636%0.35814%0.139SC..THydrogen-bonded Turntrans-64.3-11.4-170.862.50000116.3N185 S186 D187N185-C238 PolarHBondContact ND2-O 2.85Å; N185-C238 WeakPolarHBondContact OD1-CA 3.49Å; N185-C238 WeakPolarHBondContact OD1-CB 3.33Å; N185-C238 PolarHBondContact OD1-O 3Å; S186-C238 VanDerWaalsContact OG-CA 3.22Å; S186-C238 WeakPolarHBondContact OG-CA 3.45Å; S186-C238 WeakPolarHBondContact OG-CB 3.28Å; S186-C238 PolarHBondContact OG-N 2.86Å; D187-C238 HydrophobicContact CB-CB 4.14Å
239H96.7Very high97.2Very high26 Ų2625.6 Ų25.612%0.1214%0.138CC..THydrogen-bonded Turntrans-103.1-6.5-17854.9-70000112.5Q237 D254 M255 R256Q237-H239 PolarHBondContact O-N 3.39Å; H239-D254 IonicContact CD2-OD1 2.71Å; H239-D254 PolarHBondContact CD2-OD1 2.64Å; H239-D254 VanDerWaalsContact CD2-OD1 3.29Å; H239-D254 WeakPolarHBondContact O-CA 3.37Å; H239-M255 HydrophobicContact CB-CB 4.38Å; H239-M255 WeakPolarHBondContact O-CB 3.38Å; H239-M255 WeakPolarHBondContact O-CG 3.34Å; H239-M255 PolarHBondContact O-N 2.99Å; H239-R256 HydrophobicContact CB-CG 3.74Å; H239-R256 PolarHBondContact CE1-NH1 3.17Å; H239-R256 VanDerWaalsContact CG-NE 3.33Å; H239-R256 PolarHBondContact ND1-NE 2.85Å; H239-R256 PolarHBondContact ND1-NH2 3.41Å; H239-R256 PolarHBondContact NE2-NH1 3.28Å
240T97.5Very high97.2Very high8 Ų825 Ų255%0.04914%0.135CC..EExtended strand (participates in β ladder)trans-113.8129-170.9-54.20000109.8F233 H234 Q237 L252 C253F233-T240 WeakPolarHBondContact CD1-O 3.4Å; H234-T240 HydrophobicContact CB-CG2 4.13Å; H234-T240 VanDerWaalsContact CB-O 3.3Å; H234-T240 WeakPolarHBondContact CB-O 3.2Å; H234-T240 PolarHBondContact N-O 3.38Å; Q237-T240 PolarHBondContact O-N 3.4Å; Q237-T240 PolarHBondContact OE1-OG1 2.84Å; T240-L252 HydrophobicContact CG2-CD1 3.75Å; T240-L252 HydrophobicContact CG2-CD2 4.12Å; T240-L252 HydrophobicContact CG2-CG 3.9Å; T240-C253 WeakPolarHBondContact CA-O 3.37Å
241F98.1Very high97.2Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-139.9159.3169.470.3-82.7000109.4I192 V199 I213 V214 E232 F233 Y243 C253 M255 C261I192-F241 HydrophobicContact CD1-CB 4.34Å; I192-F241 HydrophobicContact CD1-CD2 4.31Å; I192-F241 HydrophobicContact CD1-CG 4.48Å; V199-F241 HydrophobicContact CG1-CE2 4.39Å; V199-F241 HydrophobicContact CG2-CE2 4.5Å; I213-F241 HydrophobicContact CD1-CD1 4.35Å; I213-F241 HydrophobicContact CD1-CE1 3.65Å; I213-F241 HydrophobicContact CD1-CE2 4.36Å; I213-F241 HydrophobicContact CD1-CZ 3.66Å; I213-F241 HydrophobicContact CG1-CZ 4.29Å; V214-F241 HydrophobicContact CG2-CE2 3.98Å; V214-F241 HydrophobicContact CG2-CZ 3.69Å; E232-F241 CarbonylContact O-C 3.58Å; E232-F241 VanDerWaalsContact O-CA 3.28Å; E232-F241 WeakPolarHBondContact O-CA 3.37Å; E232-F241 WeakPolarHBondContact O-CB 3.37Å; F233-F241 HydrophobicContact CD1-CB 3.69Å; F233-F241 HydrophobicContact CE1-CB 4.02Å; F233-F241 HydrophobicContact CE1-CD1 4.35Å; F233-F241 HydrophobicContact CG-CB 4.32Å; F241-Y243 AromaticContact CE2-CD1 4Å; F241-Y243 HydrophobicContact CE2-CD1 4Å; F241-C253 HydrophobicContact CD1-CB 3.89Å; F241-C253 HydrophobicContact CD2-CB 4.4Å; F241-C253 HydrophobicContact CE1-CB 3.36Å; F241-C253 HydrophobicContact CE2-CB 3.94Å; F241-C253 HydrophobicContact CG-CB 4.38Å; F241-C253 HydrophobicContact CZ-CB 3.38Å; F241-C253 PolarHBondContact N-O 3.32Å; F241-C253 PolarHBondContact O-N 3.29Å; F241-M255 HydrophobicContact CD1-CG 4.04Å; F241-M255 HydrophobicContact CD1-SD 4.12Å; F241-M255 HydrophobicContact CE1-CG 3.85Å; F241-M255 HydrophobicContact CE1-SD 4.31Å; F241-C261 HydrophobicContact CE1-CB 4.24Å; F241-C261 HydrophobicContact CZ-CB 3.98Å
242A98.1Very high97.2Very high0 Ų026.8 Ų26.80%014%0.141CC..EExtended strand (participates in β ladder)trans-120.6147.6172.700000109.7A231 E232 I250 R251 L252 F292 L299A231-A242 CarbonylContact C-O 3.56Å; A231-A242 WeakPolarHBondContact CA-O 3.41Å; E232-A242 PolarHBondContact N-O 3.16Å; E232-A242 PolarHBondContact O-N 3.2Å; A242-I250 HydrophobicContact CB-CG2 3.93Å; A242-R251 VanDerWaalsContact CA-O 3.28Å; A242-R251 WeakPolarHBondContact CA-O 3.48Å; A242-L252 HydrophobicContact CB-CD1 4.14Å; A242-F292 HydrophobicContact CB-CE2 3.86Å; A242-F292 HydrophobicContact CB-CZ 3.68Å; A242-L299 HydrophobicContact CB-CD1 3.88Å
243Y98.3Very high97.1Very high9 Ų925.7 Ų25.74%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-131.6142.216569.3-87.8000110.7V214 I228 S230 F241 I250 R251V214-Y243 HydrophobicContact CG1-CE1 4.16Å; V214-Y243 HydrophobicContact CG2-CE1 4.19Å; I228-Y243 HydrophobicContact CD1-CD2 4.12Å; I228-Y243 HydrophobicContact CD1-CE2 4.27Å; I228-Y243 HydrophobicContact CG1-CD2 3.96Å; I228-Y243 HydrophobicContact CG1-CE2 4.18Å; I228-Y243 HydrophobicContact CG2-CD2 3.98Å; I228-Y243 HydrophobicContact CG2-CG 4.37Å; S230-Y243 CarbonylContact O-C 3.52Å; S230-Y243 VanDerWaalsContact O-CA 3.24Å; S230-Y243 WeakPolarHBondContact O-CA 3.19Å; F241-Y243 AromaticContact CE2-CD1 4Å; F241-Y243 HydrophobicContact CE2-CD1 4Å; Y243-I250 WeakPolarHBondContact O-CA 3.37Å; Y243-I250 WeakPolarHBondContact O-CG2 3.33Å; Y243-R251 HydrophobicContact CD1-CB 4.1Å; Y243-R251 HydrophobicContact CE1-CB 3.63Å; Y243-R251 HydrophobicContact CE2-CB 4.13Å; Y243-R251 HydrophobicContact CE2-CG 4.49Å; Y243-R251 VanDerWaalsContact CZ-CD 3.46Å; Y243-R251 PolarHBondContact N-O 2.94Å; Y243-R251 PolarHBondContact O-N 3.32Å; Y243-R251 WeakPolarHBondContact OH-CD 3.47Å
244S98.1Very high97.1Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-100.8161.4176.861.80000111.2I228 T229 S230 S249 I287I228-S244 WeakPolarHBondContact CA-O 3.47Å; T229-S244 PolarHBondContact N-O 2.91Å; T229-S244 PolarHBondContact OG1-O 2.92Å; T229-S244 PolarHBondContact OG1-OG 2.6Å; S230-S244 PolarHBondContact N-OG 3.19Å; S230-S244 PolarHBondContact O-N 2.93Å; S230-S244 PolarHBondContact O-OG 3.21Å; S244-S249 WeakPolarHBondContact CA-O 3.37Å; S244-I287 VanDerWaalsContact CB-CG2 3.49Å; S244-I287 WeakPolarHBondContact OG-CG2 3.37Å
245S96.8Very high96.9Very high0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-127.3169178.680.80000114.8E226 V227 K247 G248 S249 I287E226-S245 WeakPolarHBondContact OE1-CB 3.46Å; E226-S245 PolarHBondContact OE1-OG 3.09Å; V227-S245 CarbonylContact O-C 3.58Å; V227-S245 WeakPolarHBondContact O-CA 3.24Å; V227-S245 WeakPolarHBondContact O-CB 3.02Å; S245-K247 PolarHBondContact O-N 3.13Å; S245-K247 PolarHBondContact OG-N 3.18Å; S245-G248 PolarHBondContact O-N 3.12Å; S245-S249 PolarHBondContact N-O 3.4Å; S245-S249 PolarHBondContact OG-OG 3.41Å; S245-S249 VanDerWaalsContact OG-OG 3.13Å; S245-I287 PolarHBondContact O-N 3.03Å
246S96.4Very high96.9Very high27 Ų2734.7 Ų34.719%0.18917%0.167CC..THydrogen-bonded Turntrans-67.4-8.7173.4630000114.3V227 S286V227-S246 PolarHBondContact N-OG 2.64Å; V227-S246 VanDerWaalsContact N-OG 3.13Å; V227-S246 PolarHBondContact O-N 2.83Å; S246-S286 WeakPolarHBondContact CA-OG 3.48Å; S246-S286 WeakPolarHBondContact O-CA 3.41Å; S246-S286 WeakPolarHBondContact O-CB 3.32Å
247K94.7Very high96.8Very high72 Ų7234.2 Ų34.231%0.31317%0.165SC..THydrogen-bonded Turntrans-96.12.6177.2-72.9-79-173.8173.10113.2T225 E226 S245 E282T225-K247 WeakPolarHBondContact O-CE 3.44Å; E226-K247 HydrophobicContact CB-CG 4.17Å; E226-K247 HydrophobicContact CG-CB 4.47Å; E226-K247 HydrophobicContact CG-CG 4.06Å; S245-K247 PolarHBondContact O-N 3.13Å; S245-K247 PolarHBondContact OG-N 3.18Å; K247-E282 HydrophobicContact CD-CG 4.39Å; K247-E282 VanDerWaalsContact CE-OE1 3.31Å; K247-E282 WeakPolarHBondContact CE-OE1 3.42Å; K247-E282 VanDerWaalsContact NZ-CD 3.29Å; K247-E282 IonicContact NZ-OE1 3.42Å; K247-E282 PolarHBondContact NZ-OE1 3.04Å; K247-E282 IonicContact NZ-OE2 2.69Å
248G95.2Very high96.5Very high17 Ų1732.3 Ų32.318%0.17516%0.164CC..SBendtrans81.719.1178.600000115.3S245 S285S245-G248 PolarHBondContact O-N 3.12Å; G248-S285 WeakPolarHBondContact CA-O 3.47Å; G248-S285 PolarHBondContact N-O 3.42Å
249S95.7Very high96Very high0 Ų033.3 Ų33.30%018%0.175CC..  trans-108.3154.9176.766.30000112.6E226 S244 S245 R251 Y267 F268E226-S249 PolarHBondContact OE1-OG 2.91Å; S244-S249 WeakPolarHBondContact CA-O 3.37Å; S245-S249 PolarHBondContact N-O 3.4Å; S245-S249 PolarHBondContact OG-OG 3.41Å; S245-S249 VanDerWaalsContact OG-OG 3.13Å; S249-R251 PolarHBondContact OG-NH1 2.88Å; S249-Y267 VanDerWaalsContact CB-CZ 3.48Å; S249-Y267 WeakPolarHBondContact CB-OH 3.39Å; S249-Y267 PolarHBondContact OG-OH 3.13Å; S249-F268 WeakPolarHBondContact CA-O 3.31Å
250I97.9Very high95.7Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-119.8132.8170.9-45.9104.7000109.6A242 Y243 F268 I287 L299 T301 W310A242-I250 HydrophobicContact CB-CG2 3.93Å; Y243-I250 WeakPolarHBondContact O-CA 3.37Å; Y243-I250 WeakPolarHBondContact O-CG2 3.33Å; I250-F268 HydrophobicContact CB-CB 4.07Å; I250-F268 HydrophobicContact CB-CD2 4.38Å; I250-F268 HydrophobicContact CD1-CB 3.77Å; I250-F268 PolarHBondContact N-O 3.21Å; I250-F268 PolarHBondContact O-N 3.44Å; I250-I287 HydrophobicContact CD1-CD1 4.11Å; I250-I287 HydrophobicContact CG1-CD1 3.85Å; I250-L299 HydrophobicContact CB-CD2 4.12Å; I250-L299 HydrophobicContact CD1-CD2 3.92Å; I250-L299 HydrophobicContact CG1-CD2 3.81Å; I250-L299 HydrophobicContact CG2-CD2 3.73Å; I250-T301 HydrophobicContact CD1-CG2 3.57Å; I250-T301 HydrophobicContact CG1-CG2 3.69Å; I250-W310 HydrophobicContact CD1-CD2 4.43Å; I250-W310 HydrophobicContact CD1-CZ2 4.22Å
251R97.6Very high95.4Very high33 Ų3336.2 Ų36.213%0.12519%0.192CC..EExtended strand (participates in β ladder)trans-109.7122.3172.5-74.9172.3-170.198.5-12.5109.2E226 A242 Y243 S249 H264 Y267E226-R251 IonicContact OE1-CZ 2.65Å; E226-R251 IonicContact OE1-NH1 3.66Å; E226-R251 PolarHBondContact OE1-NH1 3.35Å; E226-R251 IonicContact OE1-NH2 3.29Å; E226-R251 PolarHBondContact OE1-NH2 2.97Å; E226-R251 VanDerWaalsContact OE1-NH2 3.15Å; E226-R251 IonicContact OE2-CZ 3.74Å; E226-R251 IonicContact OE2-NH1 2.7Å; E226-R251 IonicContact OE2-NH2 3.88Å; E226-R251 PolarHBondContact OE2-NH2 3.01Å; A242-R251 VanDerWaalsContact CA-O 3.28Å; A242-R251 WeakPolarHBondContact CA-O 3.48Å; Y243-R251 HydrophobicContact CD1-CB 4.1Å; Y243-R251 HydrophobicContact CE1-CB 3.63Å; Y243-R251 HydrophobicContact CE2-CB 4.13Å; Y243-R251 HydrophobicContact CE2-CG 4.49Å; Y243-R251 VanDerWaalsContact CZ-CD 3.46Å; Y243-R251 PolarHBondContact N-O 2.94Å; Y243-R251 PolarHBondContact O-N 3.32Å; Y243-R251 WeakPolarHBondContact OH-CD 3.47Å; S249-R251 PolarHBondContact OG-NH1 2.88Å; R251-H264 HydrophobicContact CB-CB 3.85Å; R251-H264 HydrophobicContact CG-CB 3.99Å; R251-Y267 HydrophobicContact CG-CD2 3.71Å; R251-Y267 HydrophobicContact CG-CE2 4.11Å
252L97.7Very high94.6Very high13 Ų1341.9 Ų41.97%0.06822%0.222CC..EExtended strand (participates in β ladder)trans-95.3125.3171.2-168.890.3000108.4T240 A242 H264 C265 K266 F268 F292 L312T240-L252 HydrophobicContact CG2-CD1 3.75Å; T240-L252 HydrophobicContact CG2-CD2 4.12Å; T240-L252 HydrophobicContact CG2-CG 3.9Å; A242-L252 HydrophobicContact CB-CD1 4.14Å; L252-H264 CarbonylContact O-C 3.51Å; L252-C265 WeakPolarHBondContact O-CB 2.94Å; L252-C265 PolarHBondContact O-N 2.9Å; L252-K266 HydrophobicContact CB-CB 3.92Å; L252-K266 HydrophobicContact CD2-CB 4.26Å; L252-K266 HydrophobicContact CD2-CD 4Å; L252-K266 HydrophobicContact CD2-CG 4.13Å; L252-K266 PolarHBondContact N-O 2.9Å; L252-K266 PolarHBondContact O-N 3.11Å; L252-F268 HydrophobicContact CB-CE2 4.01Å; L252-F292 HydrophobicContact CD1-CE1 4.17Å; L252-F292 HydrophobicContact CD1-CZ 3.88Å; L252-L312 HydrophobicContact CD1-CD2 4.1Å
253C97.4Very high94Very high0 Ų049.6 Ų49.60%026%0.255CS..EExtended strand (participates in β ladder)trans-109146.3-178.6-67.50000110.8T240 F241 C261T240-C253 WeakPolarHBondContact CA-O 3.37Å; F241-C253 HydrophobicContact CD1-CB 3.89Å; F241-C253 HydrophobicContact CD2-CB 4.4Å; F241-C253 HydrophobicContact CE1-CB 3.36Å; F241-C253 HydrophobicContact CE2-CB 3.94Å; F241-C253 HydrophobicContact CG-CB 4.38Å; F241-C253 HydrophobicContact CZ-CB 3.38Å; F241-C253 PolarHBondContact N-O 3.32Å; F241-C253 PolarHBondContact O-N 3.29Å; C253-C261 HydrophobicContact CB-CB 3.97Å
254D96.4Very high93.5Very high36 Ų3652.8 Ų52.819%0.19327%0.27CS..EExtended strand (participates in β ladder)trans-121.7107174.3179.5-7.6000109.2H239 R256 Q257 C265H239-D254 IonicContact CD2-OD1 2.71Å; H239-D254 PolarHBondContact CD2-OD1 2.64Å; H239-D254 VanDerWaalsContact CD2-OD1 3.29Å; H239-D254 WeakPolarHBondContact O-CA 3.37Å; D254-R256 PolarHBondContact O-N 2.9Å; D254-R256 VanDerWaalsContact O-N 3.12Å; D254-R256 VanDerWaalsContact OD1-CB 3.28Å; D254-R256 WeakPolarHBondContact OD1-CB 3.37Å; D254-R256 PolarHBondContact OD1-N 2.85Å; D254-Q257 HydrophobicContact CB-CG 3.94Å; D254-Q257 PolarHBondContact O-N 2.84Å; D254-Q257 VanDerWaalsContact O-N 3.12Å; D254-Q257 PolarHBondContact OD2-NE2 3.26Å; D254-C265 HydrophobicContact CB-CB 4.15Å
255M96.3Very high93.1Very high49 Ų4955.1 Ų55.124%0.24129%0.286CS..THydrogen-bonded Turntrans-67.3-8.7-177.6-61.217268.700113.6L201 F233 H239 F241L201-M255 HydrophobicContact CD1-CE 4.14Å; L201-M255 HydrophobicContact CD2-CE 3.61Å; L201-M255 HydrophobicContact CG-CE 4.46Å; F233-M255 HydrophobicContact CE1-SD 3.79Å; F233-M255 HydrophobicContact CZ-SD 4.26Å; H239-M255 HydrophobicContact CB-CB 4.38Å; H239-M255 WeakPolarHBondContact O-CB 3.38Å; H239-M255 WeakPolarHBondContact O-CG 3.34Å; H239-M255 PolarHBondContact O-N 2.99Å; F241-M255 HydrophobicContact CD1-CG 4.04Å; F241-M255 HydrophobicContact CD1-SD 4.12Å; F241-M255 HydrophobicContact CE1-CG 3.85Å; F241-M255 HydrophobicContact CE1-SD 4.31Å
256R95.6Very high93.1Very high175 Ų17557.9 Ų57.966%0.6630%0.298SS*.THydrogen-bonded Turntrans-83.8-25.2173.9-64.3169.2175.8171.7-2.4112.4H239 D254H239-R256 HydrophobicContact CB-CG 3.74Å; H239-R256 PolarHBondContact CE1-NH1 3.17Å; H239-R256 VanDerWaalsContact CG-NE 3.33Å; H239-R256 PolarHBondContact ND1-NE 2.85Å; H239-R256 PolarHBondContact ND1-NH2 3.41Å; H239-R256 PolarHBondContact NE2-NH1 3.28Å; D254-R256 PolarHBondContact O-N 2.9Å; D254-R256 VanDerWaalsContact O-N 3.12Å; D254-R256 VanDerWaalsContact OD1-CB 3.28Å; D254-R256 WeakPolarHBondContact OD1-CB 3.37Å; D254-R256 PolarHBondContact OD1-N 2.85Å
257Q93.3Very high93.1Very high117 Ų11759.9 Ų59.955%0.54730%0.302SS..THydrogen-bonded Turntrans-71.8-39.6-177.1-67.6-178.420.100111.4D254 C265D254-Q257 HydrophobicContact CB-CG 3.94Å; D254-Q257 PolarHBondContact O-N 2.84Å; D254-Q257 VanDerWaalsContact O-N 3.12Å; D254-Q257 PolarHBondContact OD2-NE2 3.26Å; Q257-C265 PolarHBondContact NE2-SG 2.88Å; Q257-C265 VanDerWaalsContact NE2-SG 3.4Å
258A90.8Very high93.2Very high44 Ų4456.5 Ų56.536%0.36429%0.287SS..  trans-154.5152.5177.400000110.5L260A258-L260 VanDerWaalsContact C-N 3.29Å; A258-L260 WeakPolarHBondContact CB-O 2.91Å
259A87.6Confident93.1Very high73 Ų7360 Ų6060%0.60330%0.299SS*.SBendtrans-63.6-39.3174.200000111.3F211F211-A259 VanDerWaalsContact CE1-O 3.28Å; F211-A259 WeakPolarHBondContact CE1-O 3.19Å; F211-A259 HydrophobicContact CZ-CB 4.4Å
260L91.3Very high92.8Very high92 Ų9263.5 Ų63.548%0.48232%0.316SS..SBendtrans-92.3128.4169.8-57.6177.4000107.8F211 A258 D262F211-L260 HydrophobicContact CE2-CD2 4.34Å; F211-L260 HydrophobicContact CZ-CD2 3.88Å; A258-L260 VanDerWaalsContact C-N 3.29Å; A258-L260 WeakPolarHBondContact CB-O 2.91Å; L260-D262 PolarHBondContact O-N 3.1Å
261C90.3Very high92.1Very high4 Ų468.5 Ų68.53%0.02735%0.348CS..  trans-88.641.2176.9-61.70000110.7I213 V214 F241 C253 K263I213-C261 WeakPolarHBondContact O-CA 3.28Å; I213-C261 WeakPolarHBondContact O-CB 3.46Å; I213-C261 PolarHBondContact O-N 3.19Å; V214-C261 HydrophobicContact CG2-CB 3.93Å; F241-C261 HydrophobicContact CE1-CB 4.24Å; F241-C261 HydrophobicContact CZ-CB 3.98Å; C253-C261 HydrophobicContact CB-CB 3.97Å; C261-K263 VanDerWaalsContact C-N 3.26Å; C261-K263 PolarHBondContact O-N 2.91Å
262D81.4Confident91.2Very high118 Ų11871.5 Ų71.563%0.63136%0.363SS*.  trans-67-29179.363.2-23.3000112L260L260-D262 PolarHBondContact O-N 3.1Å
263K84.4Confident90.2Very high162 Ų16274.7 Ų74.770%0.70438%0.381SS*.SBendtrans-100.4125.4166.6-64.6-178.4-176.7177.30109.9C261C261-K263 VanDerWaalsContact C-N 3.26Å; C261-K263 PolarHBondContact O-N 2.91Å
264H88.4Confident89.4Confident76 Ų7680.1 Ų80.135%0.35242%0.416SS..  trans-76.2142.9168.654.1-90.4000109.6R251 L252R251-H264 HydrophobicContact CB-CB 3.85Å; R251-H264 HydrophobicContact CG-CB 3.99Å; L252-H264 CarbonylContact O-C 3.51Å
265C91.1Very high88.5Confident50 Ų5083.1 Ų83.134%0.33844%0.439SS..SBendtrans-72.1-38173.4178.40000111L252 D254 Q257L252-C265 WeakPolarHBondContact O-CB 2.94Å; L252-C265 PolarHBondContact O-N 2.9Å; D254-C265 HydrophobicContact CB-CB 4.15Å; Q257-C265 PolarHBondContact NE2-SG 2.88Å; Q257-C265 VanDerWaalsContact NE2-SG 3.4Å
266K95.5Very high87.4Confident58 Ų5887 Ų8725%0.25246%0.459SS..EExtended strand (participates in β ladder)trans-139.7145.6-178.5-60.7-167.3171.5170.20111.1L252 F268 L312 E315L252-K266 HydrophobicContact CB-CB 3.92Å; L252-K266 HydrophobicContact CD2-CB 4.26Å; L252-K266 HydrophobicContact CD2-CD 4Å; L252-K266 HydrophobicContact CD2-CG 4.13Å; L252-K266 PolarHBondContact N-O 2.9Å; L252-K266 PolarHBondContact O-N 3.11Å; K266-F268 HydrophobicContact CB-CD2 4.4Å; K266-F268 HydrophobicContact CB-CE2 3.64Å; K266-F268 HydrophobicContact CB-CZ 4.17Å; K266-F268 HydrophobicContact CD-CE2 4.38Å; K266-F268 HydrophobicContact CD-CZ 4.12Å; K266-L312 WeakPolarHBondContact CD-O 3.31Å; K266-L312 PolarHBondContact NZ-O 3.21Å; K266-E315 WeakPolarHBondContact CA-OE1 3.29Å; K266-E315 HydrophobicContact CB-CG 4.17Å; K266-E315 WeakPolarHBondContact CB-OE1 3.44Å; K266-E315 HydrophobicContact CD-CG 4.23Å; K266-E315 WeakPolarHBondContact CD-OE1 3.24Å; K266-E315 WeakPolarHBondContact CG-OE1 3.36Å
267Y96.6Very high86.7Confident68 Ų6886.2 Ų86.227%0.26746%0.456SS..EExtended strand (participates in β ladder)trans-125.5112.5179.6-173.3-109.9000109.8S249 R251 E269 E315S249-Y267 VanDerWaalsContact CB-CZ 3.48Å; S249-Y267 WeakPolarHBondContact CB-OH 3.39Å; S249-Y267 PolarHBondContact OG-OH 3.13Å; R251-Y267 HydrophobicContact CG-CD2 3.71Å; R251-Y267 HydrophobicContact CG-CE2 4.11Å; Y267-E269 HydrophobicContact CD1-CB 4.01Å; Y267-E269 HydrophobicContact CE1-CB 3.49Å; Y267-E269 VanDerWaalsContact CE1-CB 3.49Å; Y267-E269 HydrophobicContact CE1-CG 4.12Å; Y267-E269 WeakPolarHBondContact CE1-OE2 3.35Å; Y267-E269 PolarHBondContact OH-OE1 2.9Å; Y267-E315 WeakPolarHBondContact O-CB 3.07Å
268F97.3Very high86.3Confident1 Ų183.3 Ų83.30%0.00445%0.448CS..EExtended strand (participates in β ladder)trans-99.4117.1179.5-58.9-102.1000108.8S249 I250 L252 K266 W310 L312 E315S249-F268 WeakPolarHBondContact CA-O 3.31Å; I250-F268 HydrophobicContact CB-CB 4.07Å; I250-F268 HydrophobicContact CB-CD2 4.38Å; I250-F268 HydrophobicContact CD1-CB 3.77Å; I250-F268 PolarHBondContact N-O 3.21Å; I250-F268 PolarHBondContact O-N 3.44Å; L252-F268 HydrophobicContact CB-CE2 4.01Å; K266-F268 HydrophobicContact CB-CD2 4.4Å; K266-F268 HydrophobicContact CB-CE2 3.64Å; K266-F268 HydrophobicContact CB-CZ 4.17Å; K266-F268 HydrophobicContact CD-CE2 4.38Å; K266-F268 HydrophobicContact CD-CZ 4.12Å; F268-W310 HydrophobicContact CB-CD2 4.39Å; F268-W310 HydrophobicContact CB-CE3 4.03Å; F268-W310 HydrophobicContact CB-CZ3 4.1Å; F268-W310 HydrophobicContact CD1-CB 4.21Å; F268-W310 HydrophobicContact CD1-CD2 4.34Å; F268-W310 AromaticContact CD1-CE3 3.86Å; F268-W310 HydrophobicContact CD1-CE3 3.86Å; F268-W310 HydrophobicContact CG-CE3 4.44Å; F268-L312 HydrophobicContact CZ-CD2 4.01Å; F268-E315 WeakPolarHBondContact CA-O 3.33Å; F268-E315 HydrophobicContact CD1-CB 4.38Å; F268-E315 HydrophobicContact CD1-CG 4.39Å; F268-E315 HydrophobicContact CE1-CB 4.48Å; F268-E315 HydrophobicContact CE1-CG 4.07Å; F268-E315 HydrophobicContact CZ-CG 4.13Å
269E93.8Very high86.2Confident90 Ų9087.8 Ų87.842%0.42146%0.459SS..  trans-148.5138.4179.1-176.1176.4-110.600108.5Y267 E315Y267-E269 HydrophobicContact CD1-CB 4.01Å; Y267-E269 HydrophobicContact CE1-CB 3.49Å; Y267-E269 VanDerWaalsContact CE1-CB 3.49Å; Y267-E269 HydrophobicContact CE1-CG 4.12Å; Y267-E269 WeakPolarHBondContact CE1-OE2 3.35Å; Y267-E269 PolarHBondContact OH-OE1 2.9Å; E269-E315 PolarHBondContact N-O 2.99Å
270E88.8Confident86.4Confident75 Ų7586.1 Ų86.135%0.3544%0.439SS..PPolyproline II helixtrans-94.6123.3173.2-173.9171.6-157.600108E272 K308 W310E270-E272 PolarHBondContact O-N 2.71Å; E270-E272 VanDerWaalsContact O-N 3.09Å; E270-K308 WeakPolarHBondContact OE2-CE 3.38Å; E270-K308 IonicContact OE2-NZ 3.82Å; E270-K308 PolarHBondContact OE2-NZ 3.29Å; E270-W310 HydrophobicContact CB-CH2 4.03Å
271P83.4Confident86.4Confident104 Ų10482.1 Ų82.168%0.67542%0.419SS*.PPolyproline II helixtrans-59.3117.1176.1-22.131.9000110.5N316P271-N316 WeakPolarHBondContact CD-O 3.49Å
272E78.3Confident86.4Confident97 Ų9785.7 Ų85.745%0.45344%0.435SS..PPolyproline II helixtrans-77.4131.9171.5-72.7-164.4156.400110.5E270 P274E270-E272 PolarHBondContact O-N 2.71Å; E270-E272 VanDerWaalsContact O-N 3.09Å; E272-P274 VanDerWaalsContact O-CD 3.3Å; E272-P274 WeakPolarHBondContact O-CD 3.29Å
273D76.6Confident87Confident80 Ų8081.8 Ų81.843%0.42841%0.414SS..PPolyproline II helixtrans-66.9118.8169.5-173.7-25.5000109.1S275 M276 R277D273-S275 PolarHBondContact O-N 3.34Å; D273-S275 WeakPolarHBondContact OD1-CB 3.28Å; D273-S275 PolarHBondContact OD1-N 2.69Å; D273-S275 PolarHBondContact OD1-OG 3.09Å; D273-S275 PolarHBondContact OD2-OG 3.09Å; D273-M276 HydrophobicContact CB-CB 4.38Å; D273-M276 HydrophobicContact CB-CE 4.22Å; D273-M276 HydrophobicContact CB-CG 4.41Å; D273-M276 PolarHBondContact O-N 3.35Å; D273-R277 PolarHBondContact O-N 2.65Å
274P80.9Confident87.5Confident113 Ų11374.9 Ų74.973%0.73438%0.384SS*.G310 helixtrans-55.8-27.1179.9-25.534.8000113.5E272 M276 R277E272-P274 VanDerWaalsContact O-CD 3.3Å; E272-P274 WeakPolarHBondContact O-CD 3.29Å; P274-M276 VanDerWaalsContact C-N 3.33Å; P274-R277 WeakPolarHBondContact O-CB 3.35Å; P274-R277 PolarHBondContact O-N 3.48Å
275S77.6Confident87.8Confident99 Ų9972.1 Ų72.169%0.69237%0.374SS*.G310 helixtrans-73.6-22.9178.471.20000113.6D273D273-S275 PolarHBondContact O-N 3.34Å; D273-S275 WeakPolarHBondContact OD1-CB 3.28Å; D273-S275 PolarHBondContact OD1-N 2.69Å; D273-S275 PolarHBondContact OD1-OG 3.09Å; D273-S275 PolarHBondContact OD2-OG 3.09Å
276M73.3Confident88.1Confident131 Ų13171.6 Ų71.665%0.64537%0.37SS*.G310 helixtrans-96.7-0.4176.7-67.9-151.4-85.900113D273 P274 S278D273-M276 HydrophobicContact CB-CB 4.38Å; D273-M276 HydrophobicContact CB-CE 4.22Å; D273-M276 HydrophobicContact CB-CG 4.41Å; D273-M276 PolarHBondContact O-N 3.35Å; P274-M276 VanDerWaalsContact C-N 3.33Å; M276-S278 PolarHBondContact O-N 3.49Å
277R80.8Confident88.3Confident159 Ų15969 Ų6960%0.636%0.359SS*.  trans-73118.8179.9-162.8171.4180176.50.5110.3D273 P274 E282D273-R277 PolarHBondContact O-N 2.65Å; P274-R277 WeakPolarHBondContact O-CB 3.35Å; P274-R277 PolarHBondContact O-N 3.48Å; R277-E282 IonicContact NH2-OE2 3.55Å
278S85.3Confident88.3Confident55 Ų5566.8 Ų66.839%0.38535%0.353SS..  trans-116.2168.1174.671.50000109.8M276 F280 S281M276-S278 PolarHBondContact O-N 3.49Å; S278-F280 PolarHBondContact O-N 2.97Å; S278-F280 PolarHBondContact OG-N 3.29Å; S278-S281 PolarHBondContact N-OG 2.77Å; S278-S281 WeakPolarHBondContact O-CB 3.3Å; S278-S281 PolarHBondContact O-N 3.36Å; S278-S281 PolarHBondContact O-OG 3.13Å; S278-S281 PolarHBondContact OG-N 3.48Å; S278-S281 PolarHBondContact OG-OG 2.86Å; S278-S281 VanDerWaalsContact OG-OG 3.12Å
279F87.8Confident88.4Confident138 Ų13866.9 Ų66.961%0.60535%0.354SS*.Hα-helixtrans-51.1-40.2170.7171.4-102000112S281 I283 Y336F279-S281 VanDerWaalsContact C-N 3.32Å; F279-S281 PolarHBondContact O-N 2.76Å; F279-I283 HydrophobicContact CD1-CD1 4.4Å; F279-I283 HydrophobicContact CE1-CD1 3.77Å; F279-I283 HydrophobicContact CZ-CD1 4.09Å; F279-Y336 HydrophobicContact CE1-CE2 4.34Å
280F92.5Very high88.6Confident39 Ų3962.6 Ų62.617%0.17133%0.334CS..Hα-helixtrans-76.9-14.2-178.9-62.4-68.1000114S278 E282 I283 I284 L332 C333 Y336 I341S278-F280 PolarHBondContact O-N 2.97Å; S278-F280 PolarHBondContact OG-N 3.29Å; F280-E282 VanDerWaalsContact C-N 3.28Å; F280-E282 PolarHBondContact O-N 3.06Å; F280-I283 HydrophobicContact CD1-CD1 4.14Å; F280-I283 PolarHBondContact O-N 2.98Å; F280-I283 VanDerWaalsContact O-N 3.09Å; F280-I284 VanDerWaalsContact O-CG1 3.32Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-I284 PolarHBondContact O-N 2.86Å; F280-L332 HydrophobicContact CB-CD1 4.16Å; F280-L332 HydrophobicContact CD1-CB 4.45Å; F280-L332 HydrophobicContact CD2-CB 4.19Å; F280-L332 HydrophobicContact CE2-CB 4.47Å; F280-L332 HydrophobicContact CG-CB 4.19Å; F280-L332 HydrophobicContact CG-CD1 4.47Å; F280-C333 HydrophobicContact CZ-CB 4.18Å; F280-Y336 HydrophobicContact CE1-CD2 4.22Å; F280-Y336 AromaticContact CE1-CG 3.93Å; F280-Y336 HydrophobicContact CE1-CG 3.93Å; F280-I341 HydrophobicContact CD1-CD1 3.92Å
281S91Very high89Confident8 Ų860.8 Ų60.86%0.05633%0.325CS..Hα-helixtrans-59.1-41-175.8-65.40000111.9S278 F279 S285S278-S281 PolarHBondContact N-OG 2.77Å; S278-S281 WeakPolarHBondContact O-CB 3.3Å; S278-S281 PolarHBondContact O-N 3.36Å; S278-S281 PolarHBondContact O-OG 3.13Å; S278-S281 PolarHBondContact OG-N 3.48Å; S278-S281 PolarHBondContact OG-OG 2.86Å; S278-S281 VanDerWaalsContact OG-OG 3.12Å; F279-S281 VanDerWaalsContact C-N 3.32Å; F279-S281 PolarHBondContact O-N 2.76Å; S281-S285 WeakPolarHBondContact O-CB 3.07Å; S281-S285 PolarHBondContact O-N 2.94Å; S281-S285 PolarHBondContact O-OG 3.01Å
282E90.1Very high89.7Confident79 Ų7956.5 Ų56.537%0.36930%0.296SS..Hα-helixtrans-69.7-34.8177.6-169.2166.8155.200112.5K247 R277 F280 S285K247-E282 HydrophobicContact CD-CG 4.39Å; K247-E282 VanDerWaalsContact CE-OE1 3.31Å; K247-E282 WeakPolarHBondContact CE-OE1 3.42Å; K247-E282 VanDerWaalsContact NZ-CD 3.29Å; K247-E282 IonicContact NZ-OE1 3.42Å; K247-E282 PolarHBondContact NZ-OE1 3.04Å; K247-E282 IonicContact NZ-OE2 2.69Å; R277-E282 IonicContact NH2-OE2 3.55Å; F280-E282 VanDerWaalsContact C-N 3.28Å; F280-E282 PolarHBondContact O-N 3.06Å; E282-S285 WeakPolarHBondContact CA-OG 3.4Å; E282-S285 PolarHBondContact O-OG 3.07Å; E282-S285 VanDerWaalsContact O-OG 3.05Å
283I94.3Very high90.7Very high36 Ų3651.9 Ų51.919%0.18527%0.274CS..Hα-helixtrans-70.3-46.5179.9-58.5173.4000110.3F279 F280 S286 Y336 I341 F342F279-I283 HydrophobicContact CD1-CD1 4.4Å; F279-I283 HydrophobicContact CE1-CD1 3.77Å; F279-I283 HydrophobicContact CZ-CD1 4.09Å; F280-I283 HydrophobicContact CD1-CD1 4.14Å; F280-I283 PolarHBondContact O-N 2.98Å; F280-I283 VanDerWaalsContact O-N 3.09Å; I283-S286 WeakPolarHBondContact O-CB 3.36Å; I283-Y336 HydrophobicContact CD1-CD2 3.81Å; I283-Y336 HydrophobicContact CD1-CE2 3.7Å; I283-I341 HydrophobicContact CB-CD1 4.43Å; I283-I341 HydrophobicContact CG2-CD1 3.8Å; I283-I341 HydrophobicContact CG2-CG1 3.88Å; I283-I341 HydrophobicContact CG2-CG2 4.03Å; I283-F342 HydrophobicContact CG2-CD1 4.26Å; I283-F342 HydrophobicContact CG2-CE1 3.78Å
284I95.3Very high91.6Very high16 Ų1652.2 Ų52.28%0.08227%0.273CS..Hα-helixtrans-80.8-16.8-175.969.9-172.9000113.7F280 S286 D303 Y304 L305 L332 I341F280-I284 VanDerWaalsContact O-CG1 3.32Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-I284 PolarHBondContact O-N 2.86Å; I284-S286 VanDerWaalsContact C-N 3.33Å; I284-D303 WeakPolarHBondContact O-CB 3.28Å; I284-Y304 HydrophobicContact CG2-CD1 3.97Å; I284-Y304 HydrophobicContact CG2-CG 4.39Å; I284-Y304 PolarHBondContact O-N 3Å; I284-L305 HydrophobicContact CD1-CD1 3.95Å; I284-L332 HydrophobicContact CD1-CD1 4.39Å; I284-L332 HydrophobicContact CG2-CD2 3.96Å; I284-I341 HydrophobicContact CG2-CD1 3.88Å; I284-I341 HydrophobicContact CG2-CG1 4.13Å
285S94.6Very high92.3Very high19 Ų1950.3 Ų50.313%0.13326%0.257CS..Hα-helixtrans-79.1-17.6175.2530000112.8G248 S281 E282 I287G248-S285 WeakPolarHBondContact CA-O 3.47Å; G248-S285 PolarHBondContact N-O 3.42Å; S281-S285 WeakPolarHBondContact O-CB 3.07Å; S281-S285 PolarHBondContact O-N 2.94Å; S281-S285 PolarHBondContact O-OG 3.01Å; E282-S285 WeakPolarHBondContact CA-OG 3.4Å; E282-S285 PolarHBondContact O-OG 3.07Å; E282-S285 VanDerWaalsContact O-OG 3.05Å; S285-I287 PolarHBondContact O-N 3.29Å
286S97Very high93.2Very high38 Ų3845.8 Ų45.827%0.26623%0.226SC..SBendtrans-51121.2172.2-177.50000111.1S246 I283 I284S246-S286 WeakPolarHBondContact CA-OG 3.48Å; S246-S286 WeakPolarHBondContact O-CA 3.41Å; S246-S286 WeakPolarHBondContact O-CB 3.32Å; I283-S286 WeakPolarHBondContact O-CB 3.36Å; I284-S286 VanDerWaalsContact C-N 3.33Å
287I98.4Very high94.3Very high4 Ų445.6 Ų45.62%0.02122%0.218CC..  trans-79.6123.7179.4-68.5160.5000108.3T229 S244 S245 I250 S285 D289 T301 R302T229-I287 WeakPolarHBondContact CB-O 3.35Å; T229-I287 WeakPolarHBondContact CG2-O 3.46Å; T229-I287 PolarHBondContact OG1-O 3.18Å; S244-I287 VanDerWaalsContact CB-CG2 3.49Å; S244-I287 WeakPolarHBondContact OG-CG2 3.37Å; S245-I287 PolarHBondContact O-N 3.03Å; I250-I287 HydrophobicContact CD1-CD1 4.11Å; I250-I287 HydrophobicContact CG1-CD1 3.85Å; S285-I287 PolarHBondContact O-N 3.29Å; I287-D289 VanDerWaalsContact CG2-O 3.29Å; I287-D289 WeakPolarHBondContact CG2-O 3.18Å; I287-T301 HydrophobicContact CD1-CG2 4.24Å; I287-T301 HydrophobicContact CG2-CG2 4.35Å; I287-R302 CarbonylContact C-O 3.55Å; I287-R302 WeakPolarHBondContact CA-O 3.49Å
288S97.8Very high95.1Very high21 Ų2139.7 Ų39.715%0.14720%0.196CC..  trans-87.2-28.2177.456.80000113.5R302 F345S288-R302 PolarHBondContact N-O 3Å; S288-R302 WeakPolarHBondContact OG-CG 3.29Å; S288-R302 PolarHBondContact OG-O 2.9Å; S288-F345 PolarHBondContact OG-O 3.1Å
289D98.3Very high95.7Very high4 Ų437.1 Ų37.12%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-153.3146.5-177.9-166.125.5000111.9I287 K291 T301 R302 C347I287-D289 VanDerWaalsContact CG2-O 3.29Å; I287-D289 WeakPolarHBondContact CG2-O 3.18Å; D289-K291 VanDerWaalsContact OD1-CE 3.29Å; D289-K291 WeakPolarHBondContact OD1-CE 3.37Å; D289-K291 IonicContact OD1-NZ 3.9Å; D289-K291 VanDerWaalsContact OD2-CE 3.25Å; D289-K291 WeakPolarHBondContact OD2-CE 3.36Å; D289-T301 WeakPolarHBondContact O-CA 3.29Å; D289-R302 HydrophobicContact CB-CB 4.41Å; D289-R302 PolarHBondContact O-N 2.76Å; D289-C347 PolarHBondContact OD2-N 3.04Å
290V98.1Very high96.2Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-130.6131.8177680000109.3L299 M300 T301V290-L299 HydrophobicContact CG2-CD1 3.59Å; V290-L299 HydrophobicContact CG2-CD2 3.73Å; V290-L299 HydrophobicContact CG2-CG 3.68Å; V290-M300 CarbonylContact C-O 3.58Å; V290-M300 WeakPolarHBondContact CA-O 3.1Å; V290-T301 HydrophobicContact CG2-CG2 4.13Å
291K98.3Very high96.5Very high37 Ų3728.8 Ų28.816%0.16114%0.142CC..EExtended strand (participates in β ladder)trans-137123.5-179.9-64-65.5165.9-170.90113.2E232 D289 M300 C347 W349E232-K291 IonicContact OE1-NZ 2.78Å; E232-K291 VanDerWaalsContact OE2-CA 3.22Å; E232-K291 WeakPolarHBondContact OE2-CA 3.41Å; D289-K291 VanDerWaalsContact OD1-CE 3.29Å; D289-K291 WeakPolarHBondContact OD1-CE 3.37Å; D289-K291 IonicContact OD1-NZ 3.9Å; D289-K291 VanDerWaalsContact OD2-CE 3.25Å; D289-K291 WeakPolarHBondContact OD2-CE 3.36Å; K291-M300 HydrophobicContact CB-CE 3.98Å; K291-M300 HydrophobicContact CG-CE 4.3Å; K291-M300 PolarHBondContact N-O 3Å; K291-M300 PolarHBondContact O-N 3.35Å; K291-C347 WeakPolarHBondContact CG-O 3.4Å; K291-W349 PolarHBondContact O-NE1 3.03Å
292F98.5Very high96.9Very high13 Ų1328.4 Ų28.46%0.05714%0.139CC..EExtended strand (participates in β ladder)trans-66140163.9-74.4-82.2000110.5E232 F233 H234 P235 A242 L252 L299 L312 W349E232-F292 HydrophobicContact CB-CD2 4.22Å; E232-F292 HydrophobicContact CB-CE2 4.45Å; E232-F292 HydrophobicContact CG-CD2 4.39Å; E232-F292 WeakPolarHBondContact O-CE2 3.47Å; E232-F292 PolarHBondContact OE2-N 3.44Å; F233-F292 WeakPolarHBondContact O-CD2 3.2Å; H234-F292 HydrophobicContact CB-CE1 4.45Å; H234-F292 HydrophobicContact CB-CZ 4.35Å; H234-F292 AromaticContact CD2-CD1 3.84Å; H234-F292 AromaticContact CD2-CE1 3.75Å; P235-F292 HydrophobicContact CG-CB 4.27Å; A242-F292 HydrophobicContact CB-CE2 3.86Å; A242-F292 HydrophobicContact CB-CZ 3.68Å; L252-F292 HydrophobicContact CD1-CE1 4.17Å; L252-F292 HydrophobicContact CD1-CZ 3.88Å; F292-L299 HydrophobicContact CD1-CD1 4.03Å; F292-L299 HydrophobicContact CD2-CD1 4.36Å; F292-L299 HydrophobicContact CE1-CD1 3.76Å; F292-L299 HydrophobicContact CE2-CD1 4.1Å; F292-L299 HydrophobicContact CG-CD1 4.33Å; F292-L299 HydrophobicContact CZ-CD1 3.8Å; F292-L312 HydrophobicContact CD1-CD1 4.4Å; F292-L312 HydrophobicContact CE1-CD1 3.97Å; F292-L312 HydrophobicContact CE1-CD2 4.08Å; F292-W349 VanDerWaalsContact O-CD1 3.3Å; F292-W349 PolarHBondContact O-NE1 3.3Å
293S98Very high97.2Very high0 Ų025.3 Ų25.30%013%0.125CC..  trans-61.5151.716354.90000110.5N295 G296 R297 Y298S293-N295 PolarHBondContact O-N 2.94Å; S293-N295 PolarHBondContact OG-OD1 3.42Å; S293-G296 WeakPolarHBondContact O-CA 3.11Å; S293-G296 PolarHBondContact O-N 3.48Å; S293-R297 PolarHBondContact OG-N 3.13Å; S293-Y298 PolarHBondContact N-O 2.96Å; S293-Y298 WeakPolarHBondContact OG-CA 3.44Å; S293-Y298 WeakPolarHBondContact OG-CB 3.5Å; S293-Y298 PolarHBondContact OG-N 2.88Å; S293-Y298 PolarHBondContact OG-O 3.31Å
294H96.5Very high97.4Very high87 Ų8724 Ų2440%0.40312%0.118SC..THydrogen-bonded Turntrans-60.4-33.2-177.8-59.990.3000112.2G296 N350 D353H294-G296 VanDerWaalsContact C-N 3.26Å; H294-G296 PolarHBondContact O-N 2.84Å; H294-N350 PolarHBondContact CE1-O 2.87Å; H294-N350 PolarHBondContact ND1-O 2.8Å; H294-D353 IonicContact CE1-OD1 3.94Å; H294-D353 IonicContact CG-OD1 3.14Å; H294-D353 PolarHBondContact N-OD1 2.79Å; H294-D353 PolarHBondContact N-OD2 2.93Å; H294-D353 VanDerWaalsContact N-OD2 3.13Å; H294-D353 IonicContact ND1-OD1 3.13Å; H294-D353 PolarHBondContact ND1-OD1 2.77Å
295N94.6Very high97.5Very high73 Ų7323.5 Ų23.539%0.3912%0.115SC..THydrogen-bonded Turntrans-76.5-7.8174.569.431.4000114.5S293 R297 D353S293-N295 PolarHBondContact O-N 2.94Å; S293-N295 PolarHBondContact OG-OD1 3.42Å; N295-R297 VanDerWaalsContact C-N 3.26Å; N295-R297 PolarHBondContact O-N 3.32Å; N295-R297 VanDerWaalsContact OD1-CB 3.23Å; N295-R297 WeakPolarHBondContact OD1-CB 3.45Å; N295-R297 PolarHBondContact OD1-N 3.07Å; N295-D353 PolarHBondContact N-OD2 2.78Å; N295-D353 PolarHBondContact ND2-OD2 2.86Å
296G96.6Very high97.6Very high5 Ų523.2 Ų23.25%0.05211%0.113CC..SBendtrans76.6-2.8178.900000115.6H234 S293 H294 L312H234-G296 VanDerWaalsContact NE2-CA 3.3Å; H234-G296 WeakPolarHBondContact NE2-CA 3.41Å; H234-G296 PolarHBondContact NE2-O 3.03Å; S293-G296 WeakPolarHBondContact O-CA 3.11Å; S293-G296 PolarHBondContact O-N 3.48Å; H294-G296 VanDerWaalsContact C-N 3.26Å; H294-G296 PolarHBondContact O-N 2.84Å; G296-L312 WeakPolarHBondContact O-CD1 3.5Å
297R96.8Very high97.7Very high127 Ų12721.4 Ų21.448%0.47910%0.1SC..SBendtrans-79.1-34.6-176-179.7174.9172.5174.41.5113.3S293 N295 D311 L312S293-R297 PolarHBondContact OG-N 3.13Å; N295-R297 VanDerWaalsContact C-N 3.26Å; N295-R297 PolarHBondContact O-N 3.32Å; N295-R297 VanDerWaalsContact OD1-CB 3.23Å; N295-R297 WeakPolarHBondContact OD1-CB 3.45Å; N295-R297 PolarHBondContact OD1-N 3.07Å; R297-D311 IonicContact CZ-OD2 3.48Å; R297-D311 IonicContact NE-OD2 3.04Å; R297-D311 PolarHBondContact NE-OD2 2.95Å; R297-D311 IonicContact NH2-OD2 3.02Å; R297-D311 PolarHBondContact NH2-OD2 3.25Å; R297-L312 WeakPolarHBondContact O-CG 3.43Å; R297-L312 PolarHBondContact O-N 2.82Å; R297-L312 VanDerWaalsContact O-N 3.08Å
298Y98.1Very high97.7Very high34 Ų3422.9 Ų22.913%0.13311%0.106CC..EExtended strand (participates in β ladder)trans-113152.5-174.4-51.3-74.2000111.8S293 V309 W310 D311 L319S293-Y298 PolarHBondContact N-O 2.96Å; S293-Y298 WeakPolarHBondContact OG-CA 3.44Å; S293-Y298 WeakPolarHBondContact OG-CB 3.5Å; S293-Y298 PolarHBondContact OG-N 2.88Å; S293-Y298 PolarHBondContact OG-O 3.31Å; Y298-V309 HydrophobicContact CD1-CG1 4.25Å; Y298-V309 HydrophobicContact CG-CG1 4.29Å; Y298-W310 CarbonylContact C-O 3.56Å; Y298-W310 WeakPolarHBondContact CA-O 3.46Å; Y298-W310 WeakPolarHBondContact CB-O 3.29Å; Y298-D311 HydrophobicContact CD1-CB 4.19Å; Y298-D311 HydrophobicContact CE1-CB 4.23Å; Y298-L319 HydrophobicContact CD1-CD2 4.39Å; Y298-L319 HydrophobicContact CE1-CD2 3.89Å
299L97.8Very high97.7Very high1 Ų121.9 Ų21.91%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-116.6131.6169.8-170.3102.3000108.3A242 I250 V290 F292 T301 V309 W310 L312A242-L299 HydrophobicContact CB-CD1 3.88Å; I250-L299 HydrophobicContact CB-CD2 4.12Å; I250-L299 HydrophobicContact CD1-CD2 3.92Å; I250-L299 HydrophobicContact CG1-CD2 3.81Å; I250-L299 HydrophobicContact CG2-CD2 3.73Å; V290-L299 HydrophobicContact CG2-CD1 3.59Å; V290-L299 HydrophobicContact CG2-CD2 3.73Å; V290-L299 HydrophobicContact CG2-CG 3.68Å; F292-L299 HydrophobicContact CD1-CD1 4.03Å; F292-L299 HydrophobicContact CD2-CD1 4.36Å; F292-L299 HydrophobicContact CE1-CD1 3.76Å; F292-L299 HydrophobicContact CE2-CD1 4.1Å; F292-L299 HydrophobicContact CG-CD1 4.33Å; F292-L299 HydrophobicContact CZ-CD1 3.8Å; L299-T301 HydrophobicContact CD2-CG2 3.85Å; L299-V309 CarbonylContact O-C 3.58Å; L299-V309 WeakPolarHBondContact O-CA 3.25Å; L299-W310 HydrophobicContact CB-CB 4.28Å; L299-W310 PolarHBondContact N-O 2.9Å; L299-W310 PolarHBondContact O-N 3.49Å; L299-L312 HydrophobicContact CB-CD2 4.14Å
300M98.4Very high97.7Very high0 Ų021.9 Ų21.90%010%0.099CC..EExtended strand (participates in β ladder)trans-105138.2171.7174.8171.860.900109.8V290 K291 V307 K308 C347 W349 I356V290-M300 CarbonylContact C-O 3.58Å; V290-M300 WeakPolarHBondContact CA-O 3.1Å; K291-M300 HydrophobicContact CB-CE 3.98Å; K291-M300 HydrophobicContact CG-CE 4.3Å; K291-M300 PolarHBondContact N-O 3Å; K291-M300 PolarHBondContact O-N 3.35Å; M300-V307 HydrophobicContact CG-CG1 3.6Å; M300-V307 HydrophobicContact SD-CG1 3.69Å; M300-K308 CarbonylContact C-O 3.57Å; M300-K308 WeakPolarHBondContact CA-O 3.17Å; M300-C347 HydrophobicContact CE-CB 3.72Å; M300-C347 VanDerWaalsContact CE-SG 3.57Å; M300-C347 HydrophobicContact CG-CB 4.46Å; M300-C347 HydrophobicContact SD-CB 3.95Å; M300-W349 HydrophobicContact CB-CH2 4.26Å; M300-W349 HydrophobicContact CB-CZ2 3.38Å; M300-W349 HydrophobicContact CE-CD2 4.12Å; M300-W349 HydrophobicContact CE-CG 4.05Å; M300-W349 HydrophobicContact CG-CZ2 4.43Å; M300-W349 HydrophobicContact SD-CD2 4.48Å; M300-W349 HydrophobicContact SD-CZ2 4.49Å; M300-I356 HydrophobicContact SD-CB 4.19Å; M300-I356 HydrophobicContact SD-CD1 3.93Å; M300-I356 HydrophobicContact SD-CG1 3.8Å; M300-I356 HydrophobicContact SD-CG2 3.39Å; M300-I356 WeakPolarHBondContact SD-CG2 3.39Å
301T98.4Very high97.7Very high3 Ų322.5 Ų22.52%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-127.1140.1173.456.20000110.9I250 I287 D289 V290 L299 V307 K308 W310I250-T301 HydrophobicContact CD1-CG2 3.57Å; I250-T301 HydrophobicContact CG1-CG2 3.69Å; I287-T301 HydrophobicContact CD1-CG2 4.24Å; I287-T301 HydrophobicContact CG2-CG2 4.35Å; D289-T301 WeakPolarHBondContact O-CA 3.29Å; V290-T301 HydrophobicContact CG2-CG2 4.13Å; L299-T301 HydrophobicContact CD2-CG2 3.85Å; T301-V307 CarbonylContact O-C 3.43Å; T301-V307 WeakPolarHBondContact O-CA 3.5Å; T301-K308 PolarHBondContact N-O 3.1Å; T301-K308 PolarHBondContact O-N 3.16Å; T301-W310 PolarHBondContact OG1-NE1 3.32Å; T301-W310 VanDerWaalsContact OG1-NE1 3.07Å
302R98.4Very high97.6Very high0 Ų021.7 Ų21.70%010%0.1CC..EExtended strand (participates in β ladder)trans-107.7120.8169.7177.666-160.2-112.70.8108.9I287 S288 D289 Y304 T306 H325 F345 C347 T358 G359I287-R302 CarbonylContact C-O 3.55Å; I287-R302 WeakPolarHBondContact CA-O 3.49Å; S288-R302 PolarHBondContact N-O 3Å; S288-R302 WeakPolarHBondContact OG-CG 3.29Å; S288-R302 PolarHBondContact OG-O 2.9Å; D289-R302 HydrophobicContact CB-CB 4.41Å; D289-R302 PolarHBondContact O-N 2.76Å; R302-Y304 PolarHBondContact NH2-O 3.38Å; R302-T306 WeakPolarHBondContact CD-O 3.23Å; R302-H325 PolarHBondContact NH2-CE1 3.13Å; R302-F345 HydrophobicContact CG-CB 4.12Å; R302-F345 WeakPolarHBondContact CG-O 3.5Å; R302-C347 HydrophobicContact CB-CB 4.06Å; R302-T358 PolarHBondContact NH1-OG1 3.36Å; R302-G359 PolarHBondContact NH1-O 3.28Å
303D97.5Very high97.5Very high13 Ų1328.7 Ų28.77%0.0713%0.132CC..  trans-102.3-173.5162.57039.6000109.2I284 L305 T306 K308I284-D303 WeakPolarHBondContact O-CB 3.28Å; D303-L305 PolarHBondContact O-N 3.27Å; D303-L305 PolarHBondContact OD1-N 2.76Å; D303-T306 VanDerWaalsContact CG-OG1 3.22Å; D303-T306 PolarHBondContact N-O 3.35Å; D303-T306 WeakPolarHBondContact OD1-CA 3.38Å; D303-T306 PolarHBondContact OD1-N 3.16Å; D303-T306 PolarHBondContact OD1-OG1 2.94Å; D303-T306 VanDerWaalsContact OD1-OG1 3.11Å; D303-T306 PolarHBondContact OD2-OG1 2.91Å; D303-K308 VanDerWaalsContact OD2-CE 3.29Å; D303-K308 WeakPolarHBondContact OD2-CE 3.5Å; D303-K308 IonicContact OD2-NZ 3.46Å
304Y97.8Very high97.4Very high9 Ų932.2 Ų32.24%0.03515%0.15CC..SBendtrans-60.1-48.8-175.2-171.2-112.4000112.1I284 R302 H325 L332 L335 C340 I341 F345 Y361I284-Y304 HydrophobicContact CG2-CD1 3.97Å; I284-Y304 HydrophobicContact CG2-CG 4.39Å; I284-Y304 PolarHBondContact O-N 3Å; R302-Y304 PolarHBondContact NH2-O 3.38Å; Y304-H325 PolarHBondContact O-NE2 2.8Å; Y304-L332 HydrophobicContact CD1-CD2 4.28Å; Y304-L332 HydrophobicContact CE1-CD2 4.07Å; Y304-L335 HydrophobicContact CE1-CD1 4.32Å; Y304-C340 WeakPolarHBondContact CE2-O 3.48Å; Y304-C340 PolarHBondContact OH-O 2.75Å; Y304-I341 HydrophobicContact CD1-CG1 4.25Å; Y304-I341 WeakPolarHBondContact CD2-O 3.33Å; Y304-I341 HydrophobicContact CE1-CG1 4.1Å; Y304-F345 HydrophobicContact CE2-CE2 4.22Å; Y304-Y361 WeakPolarHBondContact CE2-OH 3.38Å; Y304-Y361 WeakPolarHBondContact OH-CE2 3.4Å; Y304-Y361 PolarHBondContact OH-OH 2.86Å
305L97.3Very high97.3Very high5 Ų531.8 Ų31.83%0.02615%0.148CC..SBendtrans-97-21.6-171.5-64.7-179000114.2I284 D303 V324I284-L305 HydrophobicContact CD1-CD1 3.95Å; D303-L305 PolarHBondContact O-N 3.27Å; D303-L305 PolarHBondContact OD1-N 2.76Å; L305-V324 WeakPolarHBondContact O-CB 3.29Å; L305-V324 PolarHBondContact O-N 2.91Å
306T97.7Very high97.3Very high13 Ų1333.2 Ų33.28%0.0816%0.156CC..EExtended strand (participates in β ladder)trans-135.1154.7-165.584.80000113.3R302 D303 K308 T321 Y322R302-T306 WeakPolarHBondContact CD-O 3.23Å; D303-T306 VanDerWaalsContact CG-OG1 3.22Å; D303-T306 PolarHBondContact N-O 3.35Å; D303-T306 WeakPolarHBondContact OD1-CA 3.38Å; D303-T306 PolarHBondContact OD1-N 3.16Å; D303-T306 PolarHBondContact OD1-OG1 2.94Å; D303-T306 VanDerWaalsContact OD1-OG1 3.11Å; D303-T306 PolarHBondContact OD2-OG1 2.91Å; T306-K308 VanDerWaalsContact OG1-CE 3.26Å; T306-K308 WeakPolarHBondContact OG1-CE 3.42Å; T306-T321 HydrophobicContact CG2-CG2 4.46Å; T306-Y322 CarbonylContact C-O 3.58Å; T306-Y322 VanDerWaalsContact CA-O 3.26Å; T306-Y322 WeakPolarHBondContact CA-O 3.42Å; T306-Y322 WeakPolarHBondContact CB-O 3.46Å
307V98.4Very high97.2Very high0 Ų038.3 Ų38.30%018%0.176CC..EExtended strand (participates in β ladder)trans-111.4130.2161.8176.30000108.4M300 T301 Y322 V324 I356 T358M300-V307 HydrophobicContact CG-CG1 3.6Å; M300-V307 HydrophobicContact SD-CG1 3.69Å; T301-V307 CarbonylContact O-C 3.43Å; T301-V307 WeakPolarHBondContact O-CA 3.5Å; V307-Y322 PolarHBondContact N-O 3.14Å; V307-Y322 PolarHBondContact O-N 2.83Å; V307-V324 HydrophobicContact CG2-CG2 3.83Å; V307-I356 HydrophobicContact CG1-CG2 3.98Å; V307-T358 HydrophobicContact CG2-CG2 3.72Å
308K98.3Very high97.2Very high35 Ų3532.9 Ų32.915%0.15216%0.158CC..EExtended strand (participates in β ladder)trans-117.8142.6-180-58.8176.6-172.5-177.80110.3E270 M300 T301 D303 T306 W310 P318 E320 T321E270-K308 WeakPolarHBondContact OE2-CE 3.38Å; E270-K308 IonicContact OE2-NZ 3.82Å; E270-K308 PolarHBondContact OE2-NZ 3.29Å; M300-K308 CarbonylContact C-O 3.57Å; M300-K308 WeakPolarHBondContact CA-O 3.17Å; T301-K308 PolarHBondContact N-O 3.1Å; T301-K308 PolarHBondContact O-N 3.16Å; D303-K308 VanDerWaalsContact OD2-CE 3.29Å; D303-K308 WeakPolarHBondContact OD2-CE 3.5Å; D303-K308 IonicContact OD2-NZ 3.46Å; T306-K308 VanDerWaalsContact OG1-CE 3.26Å; T306-K308 WeakPolarHBondContact OG1-CE 3.42Å; K308-W310 HydrophobicContact CD-CZ2 4.3Å; K308-P318 HydrophobicContact CB-CB 3.95Å; K308-P318 HydrophobicContact CD-CG 4.24Å; K308-P318 HydrophobicContact CG-CB 4.47Å; K308-E320 CarbonylContact C-O 3.5Å; K308-E320 VanDerWaalsContact CA-O 3.32Å; K308-E320 WeakPolarHBondContact CA-O 3.47Å; K308-T321 HydrophobicContact CG-CG2 4.1Å
309V98.3Very high97.2Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-114.4125.4173.2-179.60000108.5Y298 L299 P318 L319 E320 Y322 W349 I356Y298-V309 HydrophobicContact CD1-CG1 4.25Å; Y298-V309 HydrophobicContact CG-CG1 4.29Å; L299-V309 CarbonylContact O-C 3.58Å; L299-V309 WeakPolarHBondContact O-CA 3.25Å; V309-P318 CarbonylContact O-C 3.6Å; V309-P318 WeakPolarHBondContact O-CA 3.25Å; V309-L319 WeakPolarHBondContact O-CA 3.12Å; V309-L319 WeakPolarHBondContact O-CB 3.46Å; V309-L319 PolarHBondContact O-N 2.76Å; V309-E320 HydrophobicContact CB-CB 4.08Å; V309-E320 HydrophobicContact CB-CG 4.37Å; V309-E320 HydrophobicContact CG2-CB 4.36Å; V309-E320 PolarHBondContact N-O 2.88Å; V309-E320 PolarHBondContact O-N 3.42Å; V309-Y322 HydrophobicContact CG2-CE2 4.14Å; V309-W349 HydrophobicContact CG1-CH2 3.81Å; V309-W349 HydrophobicContact CG1-CZ2 4.49Å; V309-W349 HydrophobicContact CG2-CH2 3.89Å; V309-I356 HydrophobicContact CG2-CD1 3.42Å; V309-I356 VanDerWaalsContact CG2-CD1 3.42Å
310W98.4Very high97.1Very high4 Ų436.6 Ų36.62%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-109.4140178.7-54.781.8000109.3I250 F268 E270 Y298 L299 T301 K308 K317 P318I250-W310 HydrophobicContact CD1-CD2 4.43Å; I250-W310 HydrophobicContact CD1-CZ2 4.22Å; F268-W310 HydrophobicContact CB-CD2 4.39Å; F268-W310 HydrophobicContact CB-CE3 4.03Å; F268-W310 HydrophobicContact CB-CZ3 4.1Å; F268-W310 HydrophobicContact CD1-CB 4.21Å; F268-W310 HydrophobicContact CD1-CD2 4.34Å; F268-W310 AromaticContact CD1-CE3 3.86Å; F268-W310 HydrophobicContact CD1-CE3 3.86Å; F268-W310 HydrophobicContact CG-CE3 4.44Å; E270-W310 HydrophobicContact CB-CH2 4.03Å; Y298-W310 CarbonylContact C-O 3.56Å; Y298-W310 WeakPolarHBondContact CA-O 3.46Å; Y298-W310 WeakPolarHBondContact CB-O 3.29Å; L299-W310 HydrophobicContact CB-CB 4.28Å; L299-W310 PolarHBondContact N-O 2.9Å; L299-W310 PolarHBondContact O-N 3.49Å; T301-W310 PolarHBondContact OG1-NE1 3.32Å; T301-W310 VanDerWaalsContact OG1-NE1 3.07Å; K308-W310 HydrophobicContact CD-CZ2 4.3Å; W310-K317 VanDerWaalsContact CE3-C 3.44Å; W310-P318 HydrophobicContact CD2-CB 4.03Å; W310-P318 HydrophobicContact CE3-CB 4.29Å; W310-P318 HydrophobicContact CZ2-CB 4.27Å; W310-P318 HydrophobicContact CZ2-CG 4.47Å
311D97.4Very high97.1Very high14 Ų1439.5 Ų39.58%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-87.5131.1164.9-172-50.6000107.1R297 Y298 Q313 M314R297-D311 IonicContact CZ-OD2 3.48Å; R297-D311 IonicContact NE-OD2 3.04Å; R297-D311 PolarHBondContact NE-OD2 2.95Å; R297-D311 IonicContact NH2-OD2 3.02Å; R297-D311 PolarHBondContact NH2-OD2 3.25Å; Y298-D311 HydrophobicContact CD1-CB 4.19Å; Y298-D311 HydrophobicContact CE1-CB 4.23Å; D311-Q313 PolarHBondContact O-N 2.96Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.35Å; D311-Q313 PolarHBondContact OD1-N 3Å; D311-M314 HydrophobicContact CB-CB 4.4Å; D311-M314 CarbonylContact O-C 3.59Å; D311-M314 PolarHBondContact O-N 3.42Å
312L96.4Very high97Very high19 Ų1940.4 Ų40.410%0.09920%0.2CC..THydrogen-bonded Turntrans-60.3-13.4-179.3-68.3-177.5000113.5L252 K266 F268 F292 G296 R297 L299L252-L312 HydrophobicContact CD1-CD2 4.1Å; K266-L312 WeakPolarHBondContact CD-O 3.31Å; K266-L312 PolarHBondContact NZ-O 3.21Å; F268-L312 HydrophobicContact CZ-CD2 4.01Å; F292-L312 HydrophobicContact CD1-CD1 4.4Å; F292-L312 HydrophobicContact CE1-CD1 3.97Å; F292-L312 HydrophobicContact CE1-CD2 4.08Å; G296-L312 WeakPolarHBondContact O-CD1 3.5Å; R297-L312 WeakPolarHBondContact O-CG 3.43Å; R297-L312 PolarHBondContact O-N 2.82Å; R297-L312 VanDerWaalsContact O-N 3.08Å; L299-L312 HydrophobicContact CB-CD2 4.14Å
313Q96.1Very high97Very high160 Ų16044.6 Ų44.675%0.74822%0.219SC*.THydrogen-bonded Turntrans-92.9-4.8175-57.1-178-1.500113.8D311D311-Q313 PolarHBondContact O-N 2.96Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.35Å; D311-Q313 PolarHBondContact OD1-N 3Å
314M95.9Very high97Very high75 Ų7544 Ų4437%0.36922%0.216SC..  trans-129.599.6-179.2-177.4174.1-78.700110.7D311 N316 K317D311-M314 HydrophobicContact CB-CB 4.4Å; D311-M314 CarbonylContact O-C 3.59Å; D311-M314 PolarHBondContact O-N 3.42Å; M314-N316 VanDerWaalsContact CG-OD1 3.24Å; M314-N316 WeakPolarHBondContact CG-OD1 3.37Å; M314-K317 HydrophobicContact CG-CG 4.39Å; M314-K317 HydrophobicContact SD-CG 3.91Å
315E95.3Very high96.9Very high77 Ų7743.6 Ų43.636%0.3621%0.214SC..  trans-84.8-28.1-172.9-65.6164131.800114K266 Y267 F268 E269 K317K266-E315 WeakPolarHBondContact CA-OE1 3.29Å; K266-E315 HydrophobicContact CB-CG 4.17Å; K266-E315 WeakPolarHBondContact CB-OE1 3.44Å; K266-E315 HydrophobicContact CD-CG 4.23Å; K266-E315 WeakPolarHBondContact CD-OE1 3.24Å; K266-E315 WeakPolarHBondContact CG-OE1 3.36Å; Y267-E315 WeakPolarHBondContact O-CB 3.07Å; F268-E315 WeakPolarHBondContact CA-O 3.33Å; F268-E315 HydrophobicContact CD1-CB 4.38Å; F268-E315 HydrophobicContact CD1-CG 4.39Å; F268-E315 HydrophobicContact CE1-CB 4.48Å; F268-E315 HydrophobicContact CE1-CG 4.07Å; F268-E315 HydrophobicContact CZ-CG 4.13Å; E269-E315 PolarHBondContact N-O 2.99Å; E315-K317 PolarHBondContact O-N 3.43Å
316N93.9Very high96.7Very high104 Ų10446.7 Ų46.756%0.55623%0.231SC*.SBendtrans-82.7-11.2-16662.4-17.2000115.1P271 M314P271-N316 WeakPolarHBondContact CD-O 3.49Å; M314-N316 VanDerWaalsContact CG-OD1 3.24Å; M314-N316 WeakPolarHBondContact CG-OD1 3.37Å
317K95.4Very high96.5Very high111 Ų11147.8 Ų47.848%0.48323%0.234SC..SBendtrans-165.3154.1176.862.6-179.5-177.6178.20111.4W310 M314 E315W310-K317 VanDerWaalsContact CE3-C 3.44Å; M314-K317 HydrophobicContact CG-CG 4.39Å; M314-K317 HydrophobicContact SD-CG 3.91Å; E315-K317 PolarHBondContact O-N 3.43Å
318P96.9Very high96.4Very high13 Ų1347.8 Ų47.88%0.08423%0.234CC..  trans-67148169.430.3-36.3000111K308 V309 W310 T321K308-P318 HydrophobicContact CB-CB 3.95Å; K308-P318 HydrophobicContact CD-CG 4.24Å; K308-P318 HydrophobicContact CG-CB 4.47Å; V309-P318 CarbonylContact O-C 3.6Å; V309-P318 WeakPolarHBondContact O-CA 3.25Å; W310-P318 HydrophobicContact CD2-CB 4.03Å; W310-P318 HydrophobicContact CE3-CB 4.29Å; W310-P318 HydrophobicContact CZ2-CB 4.27Å; W310-P318 HydrophobicContact CZ2-CG 4.47Å; P318-T321 WeakPolarHBondContact CG-OG1 3.49Å
319L96.5Very high96.1Very high87 Ų8752.1 Ų52.146%0.45525%0.249SC..SBendtrans-70.5-37.3170.7-177.166.8000111.1Y298 V309Y298-L319 HydrophobicContact CD1-CD2 4.39Å; Y298-L319 HydrophobicContact CE1-CD2 3.89Å; V309-L319 WeakPolarHBondContact O-CA 3.12Å; V309-L319 WeakPolarHBondContact O-CB 3.46Å; V309-L319 PolarHBondContact O-N 2.76Å
320E97Very high95.8Very high27 Ų2755.9 Ų55.913%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-142.2138.3-176.2-45.5178.6155.900110.1K308 V309 Y322 R370 K373K308-E320 CarbonylContact C-O 3.5Å; K308-E320 VanDerWaalsContact CA-O 3.32Å; K308-E320 WeakPolarHBondContact CA-O 3.47Å; V309-E320 HydrophobicContact CB-CB 4.08Å; V309-E320 HydrophobicContact CB-CG 4.37Å; V309-E320 HydrophobicContact CG2-CB 4.36Å; V309-E320 PolarHBondContact N-O 2.88Å; V309-E320 PolarHBondContact O-N 3.42Å; E320-Y322 HydrophobicContact CB-CD2 4.49Å; E320-Y322 HydrophobicContact CB-CE2 3.64Å; E320-Y322 WeakPolarHBondContact OE2-CE2 3.45Å; E320-Y322 PolarHBondContact OE2-OH 2.85Å; E320-R370 IonicContact OE1-NE 3.74Å; E320-R370 IonicContact OE1-NH2 3.78Å; E320-R370 WeakPolarHBondContact OE2-CG 3.28Å; E320-R370 IonicContact OE2-CZ 3.8Å; E320-R370 IonicContact OE2-NE 2.88Å; E320-R370 PolarHBondContact OE2-NE 3.32Å; E320-R370 IonicContact OE2-NH2 3.82Å; E320-K373 IonicContact OE1-NZ 2.81Å; E320-K373 PolarHBondContact OE1-NZ 3.25Å; E320-K373 IonicContact OE2-NZ 3.72Å
321T97.3Very high95.6Very high61 Ų6159.2 Ų59.237%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-129.5123.3176.1-59.40000109.3T306 K308 P318T306-T321 HydrophobicContact CG2-CG2 4.46Å; K308-T321 HydrophobicContact CG-CG2 4.1Å; P318-T321 WeakPolarHBondContact CG-OG1 3.49Å
322Y98Very high95.5Very high21 Ų2159.1 Ų59.18%0.08230%0.302CS..EExtended strand (participates in β ladder)trans-114.3123.2-177.3-60.7-77.9000110.3T306 V307 V309 E320 V324 I356 F368 R370 K373T306-Y322 CarbonylContact C-O 3.58Å; T306-Y322 VanDerWaalsContact CA-O 3.26Å; T306-Y322 WeakPolarHBondContact CA-O 3.42Å; T306-Y322 WeakPolarHBondContact CB-O 3.46Å; V307-Y322 PolarHBondContact N-O 3.14Å; V307-Y322 PolarHBondContact O-N 2.83Å; V309-Y322 HydrophobicContact CG2-CE2 4.14Å; E320-Y322 HydrophobicContact CB-CD2 4.49Å; E320-Y322 HydrophobicContact CB-CE2 3.64Å; E320-Y322 WeakPolarHBondContact OE2-CE2 3.45Å; E320-Y322 PolarHBondContact OE2-OH 2.85Å; Y322-V324 PolarHBondContact O-N 2.85Å; Y322-I356 HydrophobicContact CD2-CD1 4.29Å; Y322-I356 HydrophobicContact CE2-CD1 3.94Å; Y322-F368 HydrophobicContact CD1-CB 3.75Å; Y322-F368 AromaticContact CD1-CD1 3.59Å; Y322-F368 HydrophobicContact CD1-CD1 3.59Å; Y322-F368 HydrophobicContact CD1-CE1 4.42Å; Y322-F368 AromaticContact CD1-CG 3.81Å; Y322-F368 HydrophobicContact CD1-CG 3.81Å; Y322-F368 HydrophobicContact CE1-CB 4Å; Y322-F368 HydrophobicContact CG-CB 4.03Å; Y322-F368 AromaticContact CG-CD1 3.91Å; Y322-F368 HydrophobicContact CG-CD1 3.91Å; Y322-F368 HydrophobicContact CG-CD2 4.43Å; Y322-F368 AromaticContact CG-CG 3.87Å; Y322-F368 HydrophobicContact CG-CG 3.87Å; Y322-R370 WeakPolarHBondContact OH-CA 3.36Å; Y322-K373 PolarHBondContact OH-NZ 3.35Å
323Q97.4Very high95.4Very high89 Ų8961.6 Ų61.642%0.41632%0.321SS..EExtended strand (participates in β ladder)trans-78.9116.5177.2-60.9-59.9-2800110D326Q323-D326 HydrophobicContact CB-CB 4.24Å
324V97.5Very high95.3Very high0 Ų056.4 Ų56.40%030%0.302CS..SBendtrans-82-56.5-177.8-176.50000110.4L305 V307 Y322 T358 R366 F368L305-V324 WeakPolarHBondContact O-CB 3.29Å; L305-V324 PolarHBondContact O-N 2.91Å; V307-V324 HydrophobicContact CG2-CG2 3.83Å; Y322-V324 PolarHBondContact O-N 2.85Å; V324-T358 HydrophobicContact CG1-CG2 4.05Å; V324-T358 HydrophobicContact CG2-CG2 3.83Å; V324-R366 HydrophobicContact CG1-CG 4.31Å; V324-R366 WeakPolarHBondContact O-CD 3.49Å; V324-R366 PolarHBondContact O-NE 3.43Å; V324-R366 PolarHBondContact O-NH1 2.88Å; V324-F368 HydrophobicContact CG2-CE2 4.29Å; V324-F368 HydrophobicContact CG2-CZ 4.3Å
325H95.7Very high95.3Very high0 Ų053 Ų530%029%0.285CS..  trans-14852.7-176.349-155.8000111.2R302 Y304 Y327 L328 S360 Y361R302-H325 PolarHBondContact NH2-CE1 3.13Å; Y304-H325 PolarHBondContact O-NE2 2.8Å; H325-Y327 HydrophobicContact CB-CD1 4.38Å; H325-Y327 HydrophobicContact CB-CD2 4.38Å; H325-Y327 HydrophobicContact CB-CE1 3.74Å; H325-Y327 HydrophobicContact CB-CE2 3.72Å; H325-Y327 WeakPolarHBondContact CB-OH 3.43Å; H325-Y327 PolarHBondContact O-N 2.83Å; H325-L328 HydrophobicContact CB-CD1 3.96Å; H325-L328 HydrophobicContact CB-CG 4.18Å; H325-L328 VanDerWaalsContact O-CB 3.29Å; H325-L328 WeakPolarHBondContact O-CB 3.47Å; H325-L328 WeakPolarHBondContact O-CG 3.39Å; H325-L328 PolarHBondContact O-N 2.97Å; H325-S360 PolarHBondContact ND1-OG 2.91Å; H325-Y361 AromaticContact CE1-CE2 3.9Å
326D93.6Very high95.4Very high71 Ų7153.8 Ų53.838%0.3829%0.285SS..G310 helixtrans-58.2-19.7179-17056.1000113.3Q323 L328 R329Q323-D326 HydrophobicContact CB-CB 4.24Å; D326-L328 PolarHBondContact O-N 2.78Å; D326-R329 WeakPolarHBondContact O-CB 3.37Å; D326-R329 PolarHBondContact O-N 2.97Å; D326-R329 IonicContact OD1-NH1 3.87Å
327Y93.6Very high95.4Very high36 Ų3655.4 Ų55.414%0.14129%0.29CS..G310 helixtrans-59-13.3168.456.3-108000114.1H325 S360 V396 V409 L412H325-Y327 HydrophobicContact CB-CD1 4.38Å; H325-Y327 HydrophobicContact CB-CD2 4.38Å; H325-Y327 HydrophobicContact CB-CE1 3.74Å; H325-Y327 HydrophobicContact CB-CE2 3.72Å; H325-Y327 WeakPolarHBondContact CB-OH 3.43Å; H325-Y327 PolarHBondContact O-N 2.83Å; Y327-S360 PolarHBondContact OH-OG 3.14Å; Y327-V396 HydrophobicContact CD1-CB 3.96Å; Y327-V396 HydrophobicContact CD1-CG1 4.08Å; Y327-V396 HydrophobicContact CD2-CG1 3.82Å; Y327-V396 HydrophobicContact CE1-CB 3.82Å; Y327-V396 HydrophobicContact CE1-CG1 4.17Å; Y327-V396 HydrophobicContact CE1-CG2 3.93Å; Y327-V396 HydrophobicContact CE2-CB 4.41Å; Y327-V396 HydrophobicContact CE2-CG1 3.94Å; Y327-V396 HydrophobicContact CE2-CG2 4.4Å; Y327-V396 HydrophobicContact CG-CB 4.31Å; Y327-V396 HydrophobicContact CG-CG1 3.9Å; Y327-V409 HydrophobicContact CD2-CG2 3.9Å; Y327-V409 HydrophobicContact CG-CG2 4.17Å; Y327-L412 HydrophobicContact CD2-CD1 4.13Å; Y327-L412 HydrophobicContact CE2-CD1 3.56Å
328L95.3Very high95.3Very high0 Ų055.1 Ų55.10%029%0.293CS..G310 helixtrans-88-7173.7-61.3-179000113.7H325 D326 G330 K331 L332 L335 Y361 V409 L412 F414H325-L328 HydrophobicContact CB-CD1 3.96Å; H325-L328 HydrophobicContact CB-CG 4.18Å; H325-L328 VanDerWaalsContact O-CB 3.29Å; H325-L328 WeakPolarHBondContact O-CB 3.47Å; H325-L328 WeakPolarHBondContact O-CG 3.39Å; H325-L328 PolarHBondContact O-N 2.97Å; D326-L328 PolarHBondContact O-N 2.78Å; L328-G330 PolarHBondContact O-N 3.34Å; L328-K331 WeakPolarHBondContact O-CA 3.34Å; L328-K331 WeakPolarHBondContact O-CB 3.12Å; L328-K331 PolarHBondContact O-N 2.84Å; L328-L332 PolarHBondContact O-N 3.1Å; L328-L335 HydrophobicContact CB-CD1 3.99Å; L328-L335 HydrophobicContact CD1-CD1 4.42Å; L328-Y361 HydrophobicContact CD1-CD2 3.57Å; L328-Y361 HydrophobicContact CD1-CE2 3.73Å; L328-V409 HydrophobicContact CD2-CG1 4.26Å; L328-L412 HydrophobicContact CD2-CD1 4.02Å; L328-F414 HydrophobicContact CD1-CE1 4.38Å; L328-F414 HydrophobicContact CD2-CE1 3.72Å; L328-F414 HydrophobicContact CD2-CZ 3.96Å
329R92.9Very high95.3Very high125 Ų12559.7 Ų59.747%0.47232%0.317SS..G310 helixtrans-58-36.8-178-164178.3-169.3954.6112.4D326 K331 L332D326-R329 WeakPolarHBondContact O-CB 3.37Å; D326-R329 PolarHBondContact O-N 2.97Å; D326-R329 IonicContact OD1-NH1 3.87Å; R329-K331 PolarHBondContact O-N 3.47Å; R329-L332 HydrophobicContact CG-CD1 4.29Å; R329-L332 WeakPolarHBondContact O-CG 3.32Å
330G91.6Very high95.3Very high79 Ų7956.5 Ų56.581%0.81430%0.302SS*.G310 helixtrans-73.8-4.8174.200000115.1L328L328-G330 PolarHBondContact O-N 3.34Å
331K93.8Very high95.3Very high74 Ų7455.5 Ų55.532%0.32230%0.297SS..G310 helixtrans-113.93.8-178.1-63.1-66.5-171.8174.30113.3L328 R329 C333 S334 L335 V409 D410L328-K331 WeakPolarHBondContact O-CA 3.34Å; L328-K331 WeakPolarHBondContact O-CB 3.12Å; L328-K331 PolarHBondContact O-N 2.84Å; R329-K331 PolarHBondContact O-N 3.47Å; K331-C333 VanDerWaalsContact C-N 3.26Å; K331-C333 PolarHBondContact O-N 3.47Å; K331-C333 VanDerWaalsContact O-N 3.15Å; K331-S334 PolarHBondContact O-N 3.45Å; K331-L335 HydrophobicContact CB-CD1 4.07Å; K331-L335 HydrophobicContact CB-CG 4.35Å; K331-L335 WeakPolarHBondContact O-CG 3.25Å; K331-L335 PolarHBondContact O-N 2.58Å; K331-V409 HydrophobicContact CG-CG1 4.1Å; K331-D410 WeakPolarHBondContact CE-OD1 3.37Å; K331-D410 IonicContact NZ-OD1 3.15Å; K331-D410 PolarHBondContact NZ-OD1 3.04Å
332L94.9Very high95.3Very high12 Ų1257.5 Ų57.56%0.06330%0.301CS..Hα-helixtrans-53.4-38.7-174.9-69.5174.9000113.8F280 I284 Y304 L328 R329 L335 Y336 I341F280-L332 HydrophobicContact CB-CD1 4.16Å; F280-L332 HydrophobicContact CD1-CB 4.45Å; F280-L332 HydrophobicContact CD2-CB 4.19Å; F280-L332 HydrophobicContact CE2-CB 4.47Å; F280-L332 HydrophobicContact CG-CB 4.19Å; F280-L332 HydrophobicContact CG-CD1 4.47Å; I284-L332 HydrophobicContact CD1-CD1 4.39Å; I284-L332 HydrophobicContact CG2-CD2 3.96Å; Y304-L332 HydrophobicContact CD1-CD2 4.28Å; Y304-L332 HydrophobicContact CE1-CD2 4.07Å; L328-L332 PolarHBondContact O-N 3.1Å; R329-L332 HydrophobicContact CG-CD1 4.29Å; R329-L332 WeakPolarHBondContact O-CG 3.32Å; L332-L335 PolarHBondContact O-N 3.12Å; L332-Y336 WeakPolarHBondContact O-CB 3.4Å; L332-Y336 PolarHBondContact O-N 3.04Å; L332-I341 HydrophobicContact CD2-CD1 4.13Å
333C95.3Very high95.3Very high72 Ų7257.6 Ų57.649%0.48630%0.303SS..Hα-helixtrans-61.7-47.1176.9-163.70000112.1F280 K331 L335 Y336 E337F280-C333 HydrophobicContact CZ-CB 4.18Å; K331-C333 VanDerWaalsContact C-N 3.26Å; K331-C333 PolarHBondContact O-N 3.47Å; K331-C333 VanDerWaalsContact O-N 3.15Å; C333-L335 VanDerWaalsContact C-N 3.31Å; C333-L335 PolarHBondContact O-N 2.99Å; C333-Y336 WeakPolarHBondContact O-CB 3.39Å; C333-Y336 PolarHBondContact O-N 3.09Å; C333-E337 WeakPolarHBondContact O-CG 3.28Å; C333-E337 PolarHBondContact O-N 2.97Å
334S94.3Very high95.3Very high51 Ų5159 Ų5936%0.35731%0.307SS..Hα-helixtrans-69-30.5177.7175.50000112.6K331 Y336 N338K331-S334 PolarHBondContact O-N 3.45Å; S334-Y336 VanDerWaalsContact C-N 3.35Å; S334-N338 PolarHBondContact O-N 2.9Å; S334-N338 PolarHBondContact O-ND2 3.1Å
335L95.8Very high95.3Very high2 Ų259 Ų591%0.0131%0.308CS..Hα-helixtrans-73.2-30.5175.3-66.4165.9000111.9Y304 L328 K331 L332 C333 D339 C340 I341 F414Y304-L335 HydrophobicContact CE1-CD1 4.32Å; L328-L335 HydrophobicContact CB-CD1 3.99Å; L328-L335 HydrophobicContact CD1-CD1 4.42Å; K331-L335 HydrophobicContact CB-CD1 4.07Å; K331-L335 HydrophobicContact CB-CG 4.35Å; K331-L335 WeakPolarHBondContact O-CG 3.25Å; K331-L335 PolarHBondContact O-N 2.58Å; L332-L335 PolarHBondContact O-N 3.12Å; C333-L335 VanDerWaalsContact C-N 3.31Å; C333-L335 PolarHBondContact O-N 2.99Å; L335-D339 CarbonylContact O-C 3.59Å; L335-D339 PolarHBondContact O-N 2.63Å; L335-C340 HydrophobicContact CB-CB 4.47Å; L335-C340 HydrophobicContact CD2-CB 3.87Å; L335-C340 PolarHBondContact O-N 2.89Å; L335-I341 HydrophobicContact CB-CB 4.33Å; L335-I341 PolarHBondContact O-N 2.88Å; L335-F414 HydrophobicContact CD2-CD1 3.69Å; L335-F414 HydrophobicContact CD2-CD2 4.48Å; L335-F414 HydrophobicContact CD2-CE1 3.64Å; L335-F414 HydrophobicContact CD2-CE2 4.42Å; L335-F414 HydrophobicContact CD2-CG 4.15Å; L335-F414 HydrophobicContact CD2-CZ 4.02Å
336Y96.1Very high95.4Very high94 Ų9459.9 Ų59.937%0.36931%0.312SS..Hα-helixtrans-71.5-43.9172.3177.9-94000111.5F279 F280 I283 L332 C333 S334 N338 D339 I341 F342F279-Y336 HydrophobicContact CE1-CE2 4.34Å; F280-Y336 HydrophobicContact CE1-CD2 4.22Å; F280-Y336 AromaticContact CE1-CG 3.93Å; F280-Y336 HydrophobicContact CE1-CG 3.93Å; I283-Y336 HydrophobicContact CD1-CD2 3.81Å; I283-Y336 HydrophobicContact CD1-CE2 3.7Å; L332-Y336 WeakPolarHBondContact O-CB 3.4Å; L332-Y336 PolarHBondContact O-N 3.04Å; C333-Y336 WeakPolarHBondContact O-CB 3.39Å; C333-Y336 PolarHBondContact O-N 3.09Å; S334-Y336 VanDerWaalsContact C-N 3.35Å; Y336-N338 PolarHBondContact O-N 2.92Å; Y336-D339 PolarHBondContact O-N 3.05Å; Y336-I341 HydrophobicContact CD2-CG2 3.97Å; Y336-F342 HydrophobicContact CD2-CE2 4.38Å; Y336-F342 HydrophobicContact CD2-CZ 4.02Å; Y336-F342 HydrophobicContact CE2-CE2 4.39Å; Y336-F342 AromaticContact CE2-CZ 3.82Å; Y336-F342 HydrophobicContact CE2-CZ 3.82Å
337E95.2Very high95.6Very high139 Ų13956.5 Ų56.565%0.6529%0.294SS*.Hα-helixtrans-61.9-26.9177.4-73.1170.9-17300113.9C333C333-E337 WeakPolarHBondContact O-CG 3.28Å; C333-E337 PolarHBondContact O-N 2.97Å
338N93.9Very high95.9Very high105 Ų10555.6 Ų55.656%0.56129%0.292SS*.THydrogen-bonded Turntrans-106.517.1179.4-64.2-54.8000113.2S334 Y336 C340S334-N338 PolarHBondContact O-N 2.9Å; S334-N338 PolarHBondContact O-ND2 3.1Å; Y336-N338 PolarHBondContact O-N 2.92Å; N338-C340 PolarHBondContact O-N 2.82Å; N338-C340 PolarHBondContact O-SG 3.24Å; N338-C340 VanDerWaalsContact O-SG 3.42Å
339D96.4Very high96Very high109 Ų10956.2 Ų56.258%0.58329%0.294SS*.THydrogen-bonded Turntrans57.50.2-179.6-62.3-45.2000116.9L335 Y336 I341 F342L335-D339 CarbonylContact O-C 3.59Å; L335-D339 PolarHBondContact O-N 2.63Å; Y336-D339 PolarHBondContact O-N 3.05Å; D339-I341 PolarHBondContact O-N 2.77Å; D339-F342 HydrophobicContact CB-CD2 4.18Å; D339-F342 PolarHBondContact O-N 3.42Å
340C96.6Very high96.2Very high20 Ų2050.7 Ų50.714%0.13527%0.274CS..G310 helixtrans-61.3-28.6179.2-64.70000111.6Y304 L335 N338 F342 D343 Y361Y304-C340 WeakPolarHBondContact CE2-O 3.48Å; Y304-C340 PolarHBondContact OH-O 2.75Å; L335-C340 HydrophobicContact CB-CB 4.47Å; L335-C340 HydrophobicContact CD2-CB 3.87Å; L335-C340 PolarHBondContact O-N 2.89Å; N338-C340 PolarHBondContact O-N 2.82Å; N338-C340 PolarHBondContact O-SG 3.24Å; N338-C340 VanDerWaalsContact O-SG 3.42Å; C340-F342 PolarHBondContact O-N 3.2Å; C340-D343 VanDerWaalsContact O-CB 3.29Å; C340-D343 WeakPolarHBondContact O-CB 3.4Å; C340-D343 PolarHBondContact O-N 2.66Å; C340-Y361 HydrophobicContact CB-CE1 4.32Å; C340-Y361 PolarHBondContact O-OH 3.09Å
341I96.3Very high96.2Very high5 Ų548.4 Ų48.43%0.02625%0.25CS..G310 helixtrans-60.1-19.6176.7-157.8169.6000113.5F280 I283 I284 Y304 L332 L335 Y336 D339F280-I341 HydrophobicContact CD1-CD1 3.92Å; I283-I341 HydrophobicContact CB-CD1 4.43Å; I283-I341 HydrophobicContact CG2-CD1 3.8Å; I283-I341 HydrophobicContact CG2-CG1 3.88Å; I283-I341 HydrophobicContact CG2-CG2 4.03Å; I284-I341 HydrophobicContact CG2-CD1 3.88Å; I284-I341 HydrophobicContact CG2-CG1 4.13Å; Y304-I341 HydrophobicContact CD1-CG1 4.25Å; Y304-I341 WeakPolarHBondContact CD2-O 3.33Å; Y304-I341 HydrophobicContact CE1-CG1 4.1Å; L332-I341 HydrophobicContact CD2-CD1 4.13Å; L335-I341 HydrophobicContact CB-CB 4.33Å; L335-I341 PolarHBondContact O-N 2.88Å; Y336-I341 HydrophobicContact CD2-CG2 3.97Å; D339-I341 PolarHBondContact O-N 2.77Å
342F97Very high96.3Very high104 Ų10448.6 Ų48.646%0.45626%0.261SS..G310 helixtrans-93.63.6178.5-54.7-65.3000113.5I283 Y336 D339 C340 K344I283-F342 HydrophobicContact CG2-CD1 4.26Å; I283-F342 HydrophobicContact CG2-CE1 3.78Å; Y336-F342 HydrophobicContact CD2-CE2 4.38Å; Y336-F342 HydrophobicContact CD2-CZ 4.02Å; Y336-F342 HydrophobicContact CE2-CE2 4.39Å; Y336-F342 AromaticContact CE2-CZ 3.82Å; Y336-F342 HydrophobicContact CE2-CZ 3.82Å; D339-F342 HydrophobicContact CB-CD2 4.18Å; D339-F342 PolarHBondContact O-N 3.42Å; C340-F342 PolarHBondContact O-N 3.2Å; F342-K344 PolarHBondContact O-N 2.85Å
343D97.5Very high96.4Very high23 Ų2348.4 Ų48.412%0.12326%0.26CS..  trans-63.1123.8176.9-82.3-28.5000111.6C340 F345 Y361 K417 L419C340-D343 VanDerWaalsContact O-CB 3.29Å; C340-D343 WeakPolarHBondContact O-CB 3.4Å; C340-D343 PolarHBondContact O-N 2.66Å; D343-F345 HydrophobicContact CB-CD2 4.33Å; D343-F345 HydrophobicContact CB-CE2 3.7Å; D343-F345 HydrophobicContact CB-CZ 4.2Å; D343-F345 WeakPolarHBondContact O-CD2 3.41Å; D343-F345 PolarHBondContact O-N 3.2Å; D343-Y361 WeakPolarHBondContact OD2-CE1 3.32Å; D343-Y361 PolarHBondContact OD2-OH 3.2Å; D343-K417 VanDerWaalsContact CG-NZ 3.26Å; D343-K417 IonicContact OD1-NZ 2.77Å; D343-K417 PolarHBondContact OD1-NZ 3Å; D343-K417 WeakPolarHBondContact OD2-CD 3.29Å; D343-K417 IonicContact OD2-NZ 2.65Å; D343-K417 PolarHBondContact OD2-NZ 2.88Å; D343-K417 VanDerWaalsContact OD2-NZ 3.13Å; D343-L419 HydrophobicContact CB-CD2 4.07Å
344K97.4Very high96.4Very high117 Ų11746.1 Ų46.151%0.50925%0.245SC..  trans-91.793.3-177.4-62-176-177.2-178.20110.4F342F342-K344 PolarHBondContact O-N 2.85Å
345F98.4Very high96.6Very high1 Ų144.7 Ų44.70%0.00423%0.234CC..  trans-77.7135.4176.2-67.5-87.4000111.4S288 R302 Y304 D343 Y361 I418 L419S288-F345 PolarHBondContact OG-O 3.1Å; R302-F345 HydrophobicContact CG-CB 4.12Å; R302-F345 WeakPolarHBondContact CG-O 3.5Å; Y304-F345 HydrophobicContact CE2-CE2 4.22Å; D343-F345 HydrophobicContact CB-CD2 4.33Å; D343-F345 HydrophobicContact CB-CE2 3.7Å; D343-F345 HydrophobicContact CB-CZ 4.2Å; D343-F345 WeakPolarHBondContact O-CD2 3.41Å; D343-F345 PolarHBondContact O-N 3.2Å; F345-Y361 HydrophobicContact CE2-CE2 4.19Å; F345-Y361 AromaticContact CE2-CZ 3.97Å; F345-Y361 HydrophobicContact CZ-CD1 4.37Å; F345-Y361 HydrophobicContact CZ-CD2 4.33Å; F345-Y361 AromaticContact CZ-CE1 3.94Å; F345-Y361 HydrophobicContact CZ-CE1 3.94Å; F345-Y361 AromaticContact CZ-CE2 3.92Å; F345-Y361 HydrophobicContact CZ-CE2 3.92Å; F345-Y361 AromaticContact CZ-CZ 3.71Å; F345-I418 WeakPolarHBondContact CD1-O 3.31Å; F345-I418 WeakPolarHBondContact CE1-O 3.45Å; F345-L419 HydrophobicContact CD1-CD2 3.85Å; F345-L419 HydrophobicContact CD2-CD2 4.47Å; F345-L419 HydrophobicContact CE1-CD2 3.75Å; F345-L419 HydrophobicContact CE2-CD2 4.39Å; F345-L419 HydrophobicContact CG-CD2 4.21Å; F345-L419 HydrophobicContact CZ-CD2 4.04Å
346E98.2Very high96.7Very high18 Ų1844.6 Ų44.68%0.08423%0.234CC..  trans-88.3161.7172.1-66.2172.1-179.700111.8K97 T358 L419 H420K97-E346 IonicContact NZ-OE1 3.15Å; K97-E346 PolarHBondContact NZ-OE1 3.29Å; E346-T358 PolarHBondContact O-OG1 2.93Å; E346-L419 WeakPolarHBondContact CB-O 3.47Å; E346-L419 PolarHBondContact N-O 3.19Å; E346-H420 VanDerWaalsContact CD-ND1 3.33Å; E346-H420 IonicContact OE1-CE1 2.67Å; E346-H420 IonicContact OE1-ND1 3.57Å; E346-H420 PolarHBondContact OE1-ND1 2.77Å; E346-H420 WeakPolarHBondContact OE2-CA 3.44Å; E346-H420 IonicContact OE2-ND1 2.75Å; E346-H420 PolarHBondContact OE2-ND1 2.9Å
347C98.1Very high96.8Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-136.3146.8175.758.10000110.7D289 K291 M300 R302 M357D289-C347 PolarHBondContact OD2-N 3.04Å; K291-C347 WeakPolarHBondContact CG-O 3.4Å; M300-C347 HydrophobicContact CE-CB 3.72Å; M300-C347 VanDerWaalsContact CE-SG 3.57Å; M300-C347 HydrophobicContact CG-CB 4.46Å; M300-C347 HydrophobicContact SD-CB 3.95Å; R302-C347 HydrophobicContact CB-CB 4.06Å; C347-M357 WeakPolarHBondContact CA-O 3.03Å
348V98.2Very high96.9Very high18 Ų1833.5 Ų33.511%0.10919%0.186CC..EExtended strand (participates in β ladder)trans-139.8146.4-178.6-62.30000112.6M357 T421 W423V348-M357 HydrophobicContact CG2-CB 3.94Å; V348-M357 HydrophobicContact CG2-CE 3.38Å; V348-M357 PolarHBondContact N-O 3.04Å; V348-M357 PolarHBondContact O-N 2.93Å; V348-T421 VanDerWaalsContact CG1-O 3.24Å; V348-T421 WeakPolarHBondContact CG1-O 3.49Å; V348-T421 HydrophobicContact CG2-CG2 4.11Å; V348-W423 HydrophobicContact CG2-CB 4.14Å
349W98.2Very high97.1Very high12 Ų1228.5 Ų28.55%0.04516%0.159CC..EExtended strand (participates in β ladder)trans-83.2147.9171.1-63104.4000110.1K291 F292 M300 V309 D353 I356 W423K291-W349 PolarHBondContact O-NE1 3.03Å; F292-W349 VanDerWaalsContact O-CD1 3.3Å; F292-W349 PolarHBondContact O-NE1 3.3Å; M300-W349 HydrophobicContact CB-CH2 4.26Å; M300-W349 HydrophobicContact CB-CZ2 3.38Å; M300-W349 HydrophobicContact CE-CD2 4.12Å; M300-W349 HydrophobicContact CE-CG 4.05Å; M300-W349 HydrophobicContact CG-CZ2 4.43Å; M300-W349 HydrophobicContact SD-CD2 4.48Å; M300-W349 HydrophobicContact SD-CZ2 4.49Å; V309-W349 HydrophobicContact CG1-CH2 3.81Å; V309-W349 HydrophobicContact CG1-CZ2 4.49Å; V309-W349 HydrophobicContact CG2-CH2 3.89Å; W349-D353 HydrophobicContact CE3-CB 4.13Å; W349-D353 HydrophobicContact CZ3-CB 4.41Å; W349-D353 WeakPolarHBondContact CZ3-O 3.47Å; W349-I356 HydrophobicContact CE3-CD1 4.41Å; W349-I356 HydrophobicContact CE3-CG1 3.8Å; W349-I356 HydrophobicContact CH2-CD1 4.23Å; W349-I356 HydrophobicContact CH2-CG1 4.48Å; W349-I356 HydrophobicContact CZ3-CD1 3.9Å; W349-I356 HydrophobicContact CZ3-CG1 3.78Å; W349-W423 WeakPolarHBondContact O-CB 2.96Å
350N96.4Very high97.2Very high9 Ų923.3 Ų23.35%0.04813%0.131CC..  trans-72.6164.9158.182.9-36.8000110.4H294 S352 D353 S354 V355 W423H294-N350 PolarHBondContact CE1-O 2.87Å; H294-N350 PolarHBondContact ND1-O 2.8Å; N350-S352 PolarHBondContact ND2-OG 3.25Å; N350-S352 PolarHBondContact O-N 3.4Å; N350-D353 PolarHBondContact O-N 2.76Å; N350-D353 PolarHBondContact OD1-N 3.07Å; N350-D353 VanDerWaalsContact OD1-N 3.12Å; N350-S354 PolarHBondContact ND2-OG 2.96Å; N350-S354 PolarHBondContact OD1-N 3.43Å; N350-S354 PolarHBondContact OD1-OG 2.83Å; N350-V355 HydrophobicContact CB-CB 4.17Å; N350-V355 PolarHBondContact N-O 3.49Å; N350-V355 PolarHBondContact OD1-N 3.08Å; N350-V355 PolarHBondContact OD1-O 3.22Å; N350-W423 HydrophobicContact CB-CD2 3.59Å; N350-W423 HydrophobicContact CB-CE3 3.85Å; N350-W423 HydrophobicContact CB-CG 4.23Å; N350-W423 HydrophobicContact CB-CH2 3.68Å; N350-W423 HydrophobicContact CB-CZ2 3.44Å; N350-W423 VanDerWaalsContact CB-CZ2 3.44Å; N350-W423 HydrophobicContact CB-CZ3 3.88Å
351G93Very high97.2Very high31 Ų3122.4 Ų22.432%0.3213%0.125SC..THydrogen-bonded Turntrans-58.2-16.7-176.200000116.5P425G351-P425 WeakPolarHBondContact CA-O 3.31Å
352S94.8Very high97.2Very high79 Ų7923.2 Ų23.255%0.55213%0.129SC*.THydrogen-bonded Turntrans-107.49.6178.162.80000114.1N350 S354N350-S352 PolarHBondContact ND2-OG 3.25Å; N350-S352 PolarHBondContact O-N 3.4Å; S352-S354 PolarHBondContact O-N 3.05Å; S352-S354 PolarHBondContact OG-OG 3.4Å
353D97Very high97.1Very high7 Ų719.1 Ų19.14%0.03711%0.112CC..SBendtrans56.915.4-176.8-56-38.4000115H294 N295 W349 N350 R370H294-D353 IonicContact CE1-OD1 3.94Å; H294-D353 IonicContact CG-OD1 3.14Å; H294-D353 PolarHBondContact N-OD1 2.79Å; H294-D353 PolarHBondContact N-OD2 2.93Å; H294-D353 VanDerWaalsContact N-OD2 3.13Å; H294-D353 IonicContact ND1-OD1 3.13Å; H294-D353 PolarHBondContact ND1-OD1 2.77Å; N295-D353 PolarHBondContact N-OD2 2.78Å; N295-D353 PolarHBondContact ND2-OD2 2.86Å; W349-D353 HydrophobicContact CE3-CB 4.13Å; W349-D353 HydrophobicContact CZ3-CB 4.41Å; W349-D353 WeakPolarHBondContact CZ3-O 3.47Å; N350-D353 PolarHBondContact O-N 2.76Å; N350-D353 PolarHBondContact OD1-N 3.07Å; N350-D353 VanDerWaalsContact OD1-N 3.12Å; D353-R370 VanDerWaalsContact O-CD 3.31Å; D353-R370 WeakPolarHBondContact O-CD 3.38Å; D353-R370 PolarHBondContact O-NH1 2.61Å
354S96.2Very high97Very high25 Ų2518 Ų1818%0.17511%0.106CC..SBendtrans-96.4-21.6-174.661.90000113.7N350 S352 R370N350-S354 PolarHBondContact ND2-OG 2.96Å; N350-S354 PolarHBondContact OD1-N 3.43Å; N350-S354 PolarHBondContact OD1-OG 2.83Å; S352-S354 PolarHBondContact O-N 3.05Å; S352-S354 PolarHBondContact OG-OG 3.4Å; S354-R370 WeakPolarHBondContact O-CB 3.26Å; S354-R370 WeakPolarHBondContact O-CG 3.42Å; S354-R370 PolarHBondContact O-N 3.1Å
355V97.4Very high97Very high21 Ų2112.5 Ų12.513%0.1278%0.082CC..EExtended strand (participates in β ladder)trans-127.4137.9178.7-174.60000108.8N350 M367 F368 W423N350-V355 HydrophobicContact CB-CB 4.17Å; N350-V355 PolarHBondContact N-O 3.49Å; N350-V355 PolarHBondContact OD1-N 3.08Å; N350-V355 PolarHBondContact OD1-O 3.22Å; V355-M367 HydrophobicContact CG1-CB 4.38Å; V355-M367 HydrophobicContact CG1-CE 4.15Å; V355-F368 CarbonylContact C-O 3.53Å; V355-F368 VanDerWaalsContact CA-O 3.31Å; V355-F368 WeakPolarHBondContact CA-O 3.47Å; V355-F368 WeakPolarHBondContact CG1-O 3.42Å; V355-W423 HydrophobicContact CB-CH2 3.92Å; V355-W423 HydrophobicContact CB-CZ3 4.25Å; V355-W423 HydrophobicContact CG1-CH2 3.68Å; V355-W423 HydrophobicContact CG1-CZ3 3.86Å
356I98.1Very high97Very high0 Ų013.9 Ų13.90%09%0.087CC..EExtended strand (participates in β ladder)trans-109.9142.2177.2-68.8166.2000108.6M300 V307 V309 Y322 W349 M367 F368 R370M300-I356 HydrophobicContact SD-CB 4.19Å; M300-I356 HydrophobicContact SD-CD1 3.93Å; M300-I356 HydrophobicContact SD-CG1 3.8Å; M300-I356 HydrophobicContact SD-CG2 3.39Å; M300-I356 WeakPolarHBondContact SD-CG2 3.39Å; V307-I356 HydrophobicContact CG1-CG2 3.98Å; V309-I356 HydrophobicContact CG2-CD1 3.42Å; V309-I356 VanDerWaalsContact CG2-CD1 3.42Å; Y322-I356 HydrophobicContact CD2-CD1 4.29Å; Y322-I356 HydrophobicContact CE2-CD1 3.94Å; W349-I356 HydrophobicContact CE3-CD1 4.41Å; W349-I356 HydrophobicContact CE3-CG1 3.8Å; W349-I356 HydrophobicContact CH2-CD1 4.23Å; W349-I356 HydrophobicContact CH2-CG1 4.48Å; W349-I356 HydrophobicContact CZ3-CD1 3.9Å; W349-I356 HydrophobicContact CZ3-CG1 3.78Å; I356-M367 CarbonylContact O-C 3.49Å; I356-M367 WeakPolarHBondContact O-CA 3.39Å; I356-F368 HydrophobicContact CB-CB 4.42Å; I356-F368 HydrophobicContact CG2-CD2 4.43Å; I356-F368 PolarHBondContact N-O 2.79Å; I356-F368 PolarHBondContact O-N 3.49Å; I356-R370 HydrophobicContact CD1-CG 4.04Å; I356-R370 HydrophobicContact CG1-CG 4.39Å
357M98.1Very high96.9Very high0 Ų013.5 Ų13.50%09%0.086CC..EExtended strand (participates in β ladder)trans-126.7142.7172178.917859.900111.2C347 V348 F365 R366 M367 T421 W423 I430C347-M357 WeakPolarHBondContact CA-O 3.03Å; V348-M357 HydrophobicContact CG2-CB 3.94Å; V348-M357 HydrophobicContact CG2-CE 3.38Å; V348-M357 PolarHBondContact N-O 3.04Å; V348-M357 PolarHBondContact O-N 2.93Å; M357-F365 HydrophobicContact CG-CD2 4.36Å; M357-F365 HydrophobicContact SD-CD2 4.07Å; M357-F365 HydrophobicContact SD-CE2 4.46Å; M357-R366 VanDerWaalsContact CA-O 3.31Å; M357-R366 WeakPolarHBondContact CA-O 3.25Å; M357-M367 HydrophobicContact CB-CG 4.41Å; M357-M367 HydrophobicContact CG-CG 4.28Å; M357-T421 HydrophobicContact CE-CG2 4.03Å; M357-T421 WeakPolarHBondContact CE-OG1 3.27Å; M357-T421 HydrophobicContact CG-CG2 4.48Å; M357-W423 HydrophobicContact CB-CE3 3.88Å; M357-W423 HydrophobicContact CB-CZ3 3.9Å; M357-W423 HydrophobicContact CE-CB 4.5Å; M357-W423 HydrophobicContact CE-CE3 4.12Å; M357-I430 HydrophobicContact CE-CB 3.89Å; M357-I430 HydrophobicContact CE-CG2 3.77Å; M357-I430 HydrophobicContact SD-CB 4.02Å; M357-I430 HydrophobicContact SD-CD1 3.74Å; M357-I430 HydrophobicContact SD-CG1 4.45Å; M357-I430 HydrophobicContact SD-CG2 3.93Å
358T98.6Very high96.9Very high0 Ų013.8 Ų13.80%09%0.087CC..EExtended strand (participates in β ladder)trans-155.6160.4174.1-169.30000111.2R302 V307 V324 E346 F365 R366 F368R302-T358 PolarHBondContact NH1-OG1 3.36Å; V307-T358 HydrophobicContact CG2-CG2 3.72Å; V324-T358 HydrophobicContact CG1-CG2 4.05Å; V324-T358 HydrophobicContact CG2-CG2 3.83Å; E346-T358 PolarHBondContact O-OG1 2.93Å; T358-F365 CarbonylContact O-C 3.58Å; T358-F365 WeakPolarHBondContact O-CA 3.49Å; T358-R366 PolarHBondContact N-O 3.22Å; T358-R366 PolarHBondContact O-N 3.29Å; T358-F368 HydrophobicContact CG2-CE2 4.14Å
359G98.1Very high96.8Very high0 Ų015.1 Ų15.10%09%0.093CC..EExtended strand (participates in β ladder)trans-87.8170.5-178.800000115.4R302 I418R302-G359 PolarHBondContact NH1-O 3.28Å; G359-I418 VanDerWaalsContact CA-O 3.29Å; G359-I418 WeakPolarHBondContact CA-O 3.45Å
360S97.9Very high96.7Very high0 Ų015.6 Ų15.60%010%0.095CC..  trans-155.9-178.4174.7179.70000109.5H325 Y327 F364 I418H325-S360 PolarHBondContact ND1-OG 2.91Å; Y327-S360 PolarHBondContact OH-OG 3.14Å; S360-F364 CarbonylContact C-O 3.59Å; S360-F364 WeakPolarHBondContact CA-O 3.4Å; S360-F364 PolarHBondContact N-O 2.91Å; S360-F364 VanDerWaalsContact O-O 3.11Å; S360-I418 PolarHBondContact O-N 2.9Å; S360-I418 VanDerWaalsContact O-N 3.09Å
361Y97.1Very high96.6Very high1 Ų121.3 Ų21.30%0.00413%0.126CC..BIsolated β-bridgetrans-73.7172.6174.3-57.5-76.2000113.9Y304 H325 L328 C340 D343 F345 N363 F364 F414 K416 K417Y304-Y361 WeakPolarHBondContact CE2-OH 3.38Å; Y304-Y361 WeakPolarHBondContact OH-CE2 3.4Å; Y304-Y361 PolarHBondContact OH-OH 2.86Å; H325-Y361 AromaticContact CE1-CE2 3.9Å; L328-Y361 HydrophobicContact CD1-CD2 3.57Å; L328-Y361 HydrophobicContact CD1-CE2 3.73Å; C340-Y361 HydrophobicContact CB-CE1 4.32Å; C340-Y361 PolarHBondContact O-OH 3.09Å; D343-Y361 WeakPolarHBondContact OD2-CE1 3.32Å; D343-Y361 PolarHBondContact OD2-OH 3.2Å; F345-Y361 HydrophobicContact CE2-CE2 4.19Å; F345-Y361 AromaticContact CE2-CZ 3.97Å; F345-Y361 HydrophobicContact CZ-CD1 4.37Å; F345-Y361 HydrophobicContact CZ-CD2 4.33Å; F345-Y361 AromaticContact CZ-CE1 3.94Å; F345-Y361 HydrophobicContact CZ-CE1 3.94Å; F345-Y361 AromaticContact CZ-CE2 3.92Å; F345-Y361 HydrophobicContact CZ-CE2 3.92Å; F345-Y361 AromaticContact CZ-CZ 3.71Å; Y361-N363 VanDerWaalsContact C-N 3.27Å; Y361-N363 PolarHBondContact O-N 3.28Å; Y361-F364 VanDerWaalsContact O-CB 3.23Å; Y361-F364 WeakPolarHBondContact O-CB 3.23Å; Y361-F364 WeakPolarHBondContact O-CD2 3.36Å; Y361-F364 WeakPolarHBondContact O-CG 3.49Å; Y361-F364 PolarHBondContact O-N 3.38Å; Y361-F414 HydrophobicContact CD1-CB 4.15Å; Y361-F414 AromaticContact CD1-CD1 3.77Å; Y361-F414 HydrophobicContact CD1-CD1 3.77Å; Y361-F414 HydrophobicContact CD1-CG 4.47Å; Y361-F414 WeakPolarHBondContact CD1-O 3.4Å; Y361-F414 AromaticContact CD2-CD1 3.86Å; Y361-F414 HydrophobicContact CD2-CD1 3.86Å; Y361-F414 HydrophobicContact CD2-CE1 4.12Å; Y361-F414 HydrophobicContact CE1-CB 4.48Å; Y361-F414 HydrophobicContact CE1-CD1 4.18Å; Y361-F414 HydrophobicContact CE2-CD1 4.26Å; Y361-F414 AromaticContact CG-CD1 3.57Å; Y361-F414 HydrophobicContact CG-CD1 3.57Å; Y361-F414 HydrophobicContact CG-CE1 4.19Å; Y361-K416 CarbonylContact C-O 3.57Å; Y361-K416 VanDerWaalsContact C-O 3.24Å; Y361-K416 WeakPolarHBondContact CA-O 3.34Å; Y361-K417 HydrophobicContact CD1-CB 4.1Å; Y361-K417 HydrophobicContact CE1-CB 4.36Å
362N95.3Very high96.7Very high21 Ų2123.4 Ų23.411%0.11213%0.133CC..THydrogen-bonded Turntrans56.236.5-174.7-160.972.7000113.8F364 L412 D413 K416N362-F364 HydrophobicContact CB-CD2 4.19Å; N362-F364 HydrophobicContact CB-CE1 4.43Å; N362-F364 HydrophobicContact CB-CE2 3.99Å; N362-F364 HydrophobicContact CB-CG 4.48Å; N362-F364 HydrophobicContact CB-CZ 4.11Å; N362-F364 WeakPolarHBondContact ND2-CE1 3.43Å; N362-F364 WeakPolarHBondContact ND2-CZ 3.27Å; N362-F364 WeakPolarHBondContact O-CD1 3.4Å; N362-F364 PolarHBondContact O-N 3.41Å; N362-F364 VanDerWaalsContact O-N 3.13Å; N362-L412 HydrophobicContact CB-CB 4.46Å; N362-L412 HydrophobicContact CB-CD2 3.8Å; N362-D413 WeakPolarHBondContact CA-O 3.05Å; N362-D413 PolarHBondContact N-O 3.17Å; N362-D413 VanDerWaalsContact N-O 3.09Å; N362-D413 PolarHBondContact OD1-N 3.18Å; N362-K416 WeakPolarHBondContact CA-O 3.45Å; N362-K416 PolarHBondContact N-O 2.91Å
363N94.9Very high96.6Very high19 Ų1925.1 Ų25.110%0.10213%0.13CC..THydrogen-bonded Turntrans53.426.3-171.2-69.7-14.8000113.6Y361 A380 K416 I418Y361-N363 VanDerWaalsContact C-N 3.27Å; Y361-N363 PolarHBondContact O-N 3.28Å; N363-A380 HydrophobicContact CB-CB 4.46Å; N363-A380 VanDerWaalsContact CB-O 3.3Å; N363-A380 WeakPolarHBondContact CB-O 3.5Å; N363-A380 PolarHBondContact ND2-O 2.78Å; N363-A380 PolarHBondContact O-N 2.84Å; N363-K416 PolarHBondContact N-O 3.05Å; N363-K416 WeakPolarHBondContact OD1-CB 3.35Å; N363-I418 HydrophobicContact CB-CD1 4.16Å
364F96.7Very high96.4Very high0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-84.1145.9176-63.1-24.2000111.6S360 Y361 N362 T377 L378 E379 R394 V396 I407 L412 I418S360-F364 CarbonylContact C-O 3.59Å; S360-F364 WeakPolarHBondContact CA-O 3.4Å; S360-F364 PolarHBondContact N-O 2.91Å; S360-F364 VanDerWaalsContact O-O 3.11Å; Y361-F364 VanDerWaalsContact O-CB 3.23Å; Y361-F364 WeakPolarHBondContact O-CB 3.23Å; Y361-F364 WeakPolarHBondContact O-CD2 3.36Å; Y361-F364 WeakPolarHBondContact O-CG 3.49Å; Y361-F364 PolarHBondContact O-N 3.38Å; N362-F364 HydrophobicContact CB-CD2 4.19Å; N362-F364 HydrophobicContact CB-CE1 4.43Å; N362-F364 HydrophobicContact CB-CE2 3.99Å; N362-F364 HydrophobicContact CB-CG 4.48Å; N362-F364 HydrophobicContact CB-CZ 4.11Å; N362-F364 WeakPolarHBondContact ND2-CE1 3.43Å; N362-F364 WeakPolarHBondContact ND2-CZ 3.27Å; N362-F364 WeakPolarHBondContact O-CD1 3.4Å; N362-F364 PolarHBondContact O-N 3.41Å; N362-F364 VanDerWaalsContact O-N 3.13Å; F364-T377 HydrophobicContact CB-CG2 3.87Å; F364-T377 HydrophobicContact CD1-CG2 4.45Å; F364-T377 HydrophobicContact CD2-CG2 4.04Å; F364-T377 HydrophobicContact CG-CG2 3.88Å; F364-L378 VanDerWaalsContact CA-O 3.24Å; F364-L378 WeakPolarHBondContact CA-O 3.11Å; F364-E379 HydrophobicContact CD1-CB 3.84Å; F364-E379 HydrophobicContact CD1-CG 3.99Å; F364-E379 HydrophobicContact CE1-CB 3.9Å; F364-E379 HydrophobicContact CE1-CG 3.86Å; F364-R394 HydrophobicContact CE1-CB 4.21Å; F364-R394 HydrophobicContact CE1-CG 4.01Å; F364-R394 HydrophobicContact CZ-CB 4.33Å; F364-R394 HydrophobicContact CZ-CG 4.5Å; F364-V396 HydrophobicContact CD2-CG2 4.25Å; F364-V396 HydrophobicContact CE2-CG2 3.68Å; F364-I407 HydrophobicContact CE1-CD1 4.27Å; F364-I407 HydrophobicContact CZ-CD1 3.6Å; F364-L412 HydrophobicContact CE2-CD2 3.75Å; F364-L412 HydrophobicContact CZ-CD2 4.45Å; F364-I418 VanDerWaalsContact O-CG1 3.32Å; F364-I418 WeakPolarHBondContact O-CG1 3.5Å
365F97.1Very high96.3Very high0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-132151.4164.162.9-82.3000108.5M357 T358 M367 L378 A380 L391 I418 I430 V432 F441M357-F365 HydrophobicContact CG-CD2 4.36Å; M357-F365 HydrophobicContact SD-CD2 4.07Å; M357-F365 HydrophobicContact SD-CE2 4.46Å; T358-F365 CarbonylContact O-C 3.58Å; T358-F365 WeakPolarHBondContact O-CA 3.49Å; F365-M367 HydrophobicContact CD2-CG 4.4Å; F365-M367 HydrophobicContact CE2-SD 4.33Å; F365-L378 HydrophobicContact CD1-CB 4.21Å; F365-L378 HydrophobicContact CD2-CB 4.23Å; F365-L378 HydrophobicContact CE1-CB 3.64Å; F365-L378 HydrophobicContact CE2-CB 3.68Å; F365-L378 HydrophobicContact CE2-CD1 3.65Å; F365-L378 HydrophobicContact CE2-CG 4.22Å; F365-L378 HydrophobicContact CG-CB 4.49Å; F365-L378 HydrophobicContact CZ-CB 3.36Å; F365-L378 HydrophobicContact CZ-CD1 3.78Å; F365-L378 HydrophobicContact CZ-CG 4.2Å; F365-L378 PolarHBondContact N-O 3.09Å; F365-L378 PolarHBondContact O-N 2.81Å; F365-A380 HydrophobicContact CE1-CB 4.42Å; F365-L391 HydrophobicContact CZ-CD1 4.01Å; F365-I418 HydrophobicContact CB-CG2 4.48Å; F365-I430 HydrophobicContact CD2-CD1 4.46Å; F365-I430 HydrophobicContact CE2-CD1 3.63Å; F365-I430 HydrophobicContact CZ-CD1 4.09Å; F365-V432 HydrophobicContact CD1-CG1 4.32Å; F365-V432 HydrophobicContact CD1-CG2 4.48Å; F365-F441 HydrophobicContact CE1-CD2 4.39Å; F365-F441 AromaticContact CE1-CE2 3.78Å; F365-F441 HydrophobicContact CE1-CE2 3.78Å; F365-F441 HydrophobicContact CE1-CZ 4.33Å; F365-F441 AromaticContact CZ-CD2 3.97Å; F365-F441 HydrophobicContact CZ-CD2 3.97Å; F365-F441 AromaticContact CZ-CE2 3.82Å; F365-F441 HydrophobicContact CZ-CE2 3.82Å
366R97.2Very high96.1Very high30 Ų3033.8 Ų33.811%0.11316%0.163CC..EExtended strand (participates in β ladder)trans-118.2147.9-177.5-61.8-162.674.9132.33110.6V324 M357 T358 F368 D375 V376 T377V324-R366 HydrophobicContact CG1-CG 4.31Å; V324-R366 WeakPolarHBondContact O-CD 3.49Å; V324-R366 PolarHBondContact O-NE 3.43Å; V324-R366 PolarHBondContact O-NH1 2.88Å; M357-R366 VanDerWaalsContact CA-O 3.31Å; M357-R366 WeakPolarHBondContact CA-O 3.25Å; T358-R366 PolarHBondContact N-O 3.22Å; T358-R366 PolarHBondContact O-N 3.29Å; R366-F368 HydrophobicContact CB-CE2 3.73Å; R366-F368 HydrophobicContact CB-CZ 3.84Å; R366-D375 IonicContact CZ-OD2 2.8Å; R366-D375 IonicContact NH2-OD2 2.63Å; R366-D375 PolarHBondContact NH2-OD2 2.88Å; R366-V376 VanDerWaalsContact CA-O 3.31Å; R366-V376 WeakPolarHBondContact CA-O 3.4Å; R366-T377 HydrophobicContact CG-CG2 4.29Å; R366-T377 PolarHBondContact NE-OG1 2.69Å; R366-T377 PolarHBondContact NH1-OG1 3.47Å; R366-T377 PolarHBondContact NH2-OG1 3.32Å
367M97.1Very high96Very high11 Ų1134.2 Ų34.25%0.05417%0.166CC..EExtended strand (participates in β ladder)trans-128.5136174.7-55.2175.574.800109.3Y10 V355 I356 M357 F365 D375 V376 L378 W423Y10-M367 HydrophobicContact CD2-SD 4.24Å; Y10-M367 HydrophobicContact CE2-CE 3.55Å; Y10-M367 HydrophobicContact CE2-SD 3.51Å; Y10-M367 VanDerWaalsContact CE2-SD 3.51Å; Y10-M367 WeakPolarHBondContact OH-CE 3.21Å; V355-M367 HydrophobicContact CG1-CB 4.38Å; V355-M367 HydrophobicContact CG1-CE 4.15Å; I356-M367 CarbonylContact O-C 3.49Å; I356-M367 WeakPolarHBondContact O-CA 3.39Å; M357-M367 HydrophobicContact CB-CG 4.41Å; M357-M367 HydrophobicContact CG-CG 4.28Å; F365-M367 HydrophobicContact CD2-CG 4.4Å; F365-M367 HydrophobicContact CE2-SD 4.33Å; M367-D375 CarbonylContact O-C 3.57Å; M367-D375 WeakPolarHBondContact O-CA 3.44Å; M367-V376 HydrophobicContact CB-CG1 3.85Å; M367-V376 HydrophobicContact CG-CG1 4.37Å; M367-V376 PolarHBondContact N-O 2.88Å; M367-V376 PolarHBondContact O-N 3.38Å; M367-V376 HydrophobicContact SD-CG1 4.37Å; M367-L378 HydrophobicContact SD-CD1 3.95Å; M367-W423 HydrophobicContact CE-CH2 3.14Å; M367-W423 HydrophobicContact CE-CZ2 4.15Å; M367-W423 HydrophobicContact CE-CZ3 3.41Å; M367-W423 VanDerWaalsContact CE-CZ3 3.41Å
368F97.7Very high95.7Very high6 Ų634.6 Ų34.63%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-124.6118.4-178.1-56.9-83.7000109.1Y322 V324 V355 I356 T358 R366 D375Y322-F368 HydrophobicContact CD1-CB 3.75Å; Y322-F368 AromaticContact CD1-CD1 3.59Å; Y322-F368 HydrophobicContact CD1-CD1 3.59Å; Y322-F368 HydrophobicContact CD1-CE1 4.42Å; Y322-F368 AromaticContact CD1-CG 3.81Å; Y322-F368 HydrophobicContact CD1-CG 3.81Å; Y322-F368 HydrophobicContact CE1-CB 4Å; Y322-F368 HydrophobicContact CG-CB 4.03Å; Y322-F368 AromaticContact CG-CD1 3.91Å; Y322-F368 HydrophobicContact CG-CD1 3.91Å; Y322-F368 HydrophobicContact CG-CD2 4.43Å; Y322-F368 AromaticContact CG-CG 3.87Å; Y322-F368 HydrophobicContact CG-CG 3.87Å; V324-F368 HydrophobicContact CG2-CE2 4.29Å; V324-F368 HydrophobicContact CG2-CZ 4.3Å; V355-F368 CarbonylContact C-O 3.53Å; V355-F368 VanDerWaalsContact CA-O 3.31Å; V355-F368 WeakPolarHBondContact CA-O 3.47Å; V355-F368 WeakPolarHBondContact CG1-O 3.42Å; I356-F368 HydrophobicContact CB-CB 4.42Å; I356-F368 HydrophobicContact CG2-CD2 4.43Å; I356-F368 PolarHBondContact N-O 2.79Å; I356-F368 PolarHBondContact O-N 3.49Å; T358-F368 HydrophobicContact CG2-CE2 4.14Å; R366-F368 HydrophobicContact CB-CE2 3.73Å; R366-F368 HydrophobicContact CB-CZ 3.84Å; F368-D375 HydrophobicContact CD1-CB 3.44Å; F368-D375 VanDerWaalsContact CD1-CB 3.44Å; F368-D375 HydrophobicContact CE1-CB 3.71Å; F368-D375 HydrophobicContact CG-CB 4.4Å
369D96.6Very high95.5Very high45 Ų4535.7 Ų35.724%0.24117%0.173CC..EExtended strand (participates in β ladder)trans-85.7117172.5179.7-27.6000109.1N371 T372 K373 R374D369-N371 VanDerWaalsContact C-N 3.31Å; D369-N371 PolarHBondContact O-N 3.3Å; D369-N371 WeakPolarHBondContact OD1-CA 3.37Å; D369-N371 WeakPolarHBondContact OD1-CB 3.4Å; D369-N371 PolarHBondContact OD1-N 2.79Å; D369-T372 WeakPolarHBondContact CB-OG1 3.35Å; D369-T372 PolarHBondContact OD1-N 2.73Å; D369-T372 WeakPolarHBondContact OD2-CG2 3.43Å; D369-T372 PolarHBondContact OD2-OG1 2.66Å; D369-K373 WeakPolarHBondContact O-CA 3.46Å; D369-K373 PolarHBondContact O-N 2.93Å; D369-R374 PolarHBondContact N-O 3.22Å
370R95.8Very high95.1Very high22 Ų2235.7 Ų35.78%0.08317%0.173CC..THydrogen-bonded Turntrans-70.5-29.1-175.9-62.4178.359.8-153.1-0.6113E320 Y322 D353 S354 I356 K373E320-R370 IonicContact OE1-NE 3.74Å; E320-R370 IonicContact OE1-NH2 3.78Å; E320-R370 WeakPolarHBondContact OE2-CG 3.28Å; E320-R370 IonicContact OE2-CZ 3.8Å; E320-R370 IonicContact OE2-NE 2.88Å; E320-R370 PolarHBondContact OE2-NE 3.32Å; E320-R370 IonicContact OE2-NH2 3.82Å; Y322-R370 WeakPolarHBondContact OH-CA 3.36Å; D353-R370 VanDerWaalsContact O-CD 3.31Å; D353-R370 WeakPolarHBondContact O-CD 3.38Å; D353-R370 PolarHBondContact O-NH1 2.61Å; S354-R370 WeakPolarHBondContact O-CB 3.26Å; S354-R370 WeakPolarHBondContact O-CG 3.42Å; S354-R370 PolarHBondContact O-N 3.1Å; I356-R370 HydrophobicContact CD1-CG 4.04Å; I356-R370 HydrophobicContact CG1-CG 4.39Å; R370-K373 WeakPolarHBondContact O-CD 3.4Å; R370-K373 WeakPolarHBondContact O-CE 3.28Å; R370-K373 PolarHBondContact O-NZ 2.78Å
371N94.5Very high94.4Very high129 Ų12936.4 Ų36.469%0.6918%0.178SC*.THydrogen-bonded Turntrans-82.2-47.6-177.7-63.3-34.4000110.7D369D369-N371 VanDerWaalsContact C-N 3.31Å; D369-N371 PolarHBondContact O-N 3.3Å; D369-N371 WeakPolarHBondContact OD1-CA 3.37Å; D369-N371 WeakPolarHBondContact OD1-CB 3.4Å; D369-N371 PolarHBondContact OD1-N 2.79Å
372T94.3Very high93.3Very high76 Ų7645.1 Ų45.147%0.46621%0.211SC..THydrogen-bonded Turntrans-88.2-10.4-176.669.30000113.4D369 R374D369-T372 WeakPolarHBondContact CB-OG1 3.35Å; D369-T372 PolarHBondContact OD1-N 2.73Å; D369-T372 WeakPolarHBondContact OD2-CG2 3.43Å; D369-T372 PolarHBondContact OD2-OG1 2.66Å; T372-R374 PolarHBondContact O-N 2.78Å; T372-R374 VanDerWaalsContact O-N 3.11Å
373K92.1Very high92.2Very high114 Ų11452.9 Ų52.950%0.49625%0.246SC..  trans55.721.2-173.8-55.7-56.8-174.3-161.90113.3E320 Y322 D369 R370E320-K373 IonicContact OE1-NZ 2.81Å; E320-K373 PolarHBondContact OE1-NZ 3.25Å; E320-K373 IonicContact OE2-NZ 3.72Å; Y322-K373 PolarHBondContact OH-NZ 3.35Å; D369-K373 WeakPolarHBondContact O-CA 3.46Å; D369-K373 PolarHBondContact O-N 2.93Å; R370-K373 WeakPolarHBondContact O-CD 3.4Å; R370-K373 WeakPolarHBondContact O-CE 3.28Å; R370-K373 PolarHBondContact O-NZ 2.78Å
374R93.3Very high90.7Very high147 Ų14756.4 Ų56.456%0.55527%0.265SS*.  trans-90.8146.6174.5-65.5-176.7-179.5-1792109.6D369 T372D369-R374 PolarHBondContact N-O 3.22Å; T372-R374 PolarHBondContact O-N 2.78Å; T372-R374 VanDerWaalsContact O-N 3.11Å
375D94Very high89.3Confident70 Ų7057 Ų5737%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-127162.3174.469.6-76.7000111.5R366 M367 F368R366-D375 IonicContact CZ-OD2 2.8Å; R366-D375 IonicContact NH2-OD2 2.63Å; R366-D375 PolarHBondContact NH2-OD2 2.88Å; M367-D375 CarbonylContact O-C 3.57Å; M367-D375 WeakPolarHBondContact O-CA 3.44Å; F368-D375 HydrophobicContact CD1-CB 3.44Å; F368-D375 VanDerWaalsContact CD1-CB 3.44Å; F368-D375 HydrophobicContact CE1-CB 3.71Å; F368-D375 HydrophobicContact CG-CB 4.4Å
376V94.3Very high87.9Confident19 Ų1965.2 Ų65.212%0.11531%0.305CS..EExtended strand (participates in β ladder)trans-144.2143.9174.163.50000110.1Y7 R366 M367 L378 P393Y7-V376 HydrophobicContact CD1-CB 4.17Å; Y7-V376 HydrophobicContact CD1-CG1 4.46Å; Y7-V376 HydrophobicContact CD1-CG2 4.38Å; Y7-V376 HydrophobicContact CE1-CB 3.88Å; Y7-V376 HydrophobicContact CE1-CG2 4.33Å; R366-V376 VanDerWaalsContact CA-O 3.31Å; R366-V376 WeakPolarHBondContact CA-O 3.4Å; M367-V376 HydrophobicContact CB-CG1 3.85Å; M367-V376 HydrophobicContact CG-CG1 4.37Å; M367-V376 PolarHBondContact N-O 2.88Å; M367-V376 PolarHBondContact O-N 3.38Å; M367-V376 HydrophobicContact SD-CG1 4.37Å; V376-L378 HydrophobicContact CG1-CD1 4.46Å; V376-L378 HydrophobicContact CG1-CG 4.37Å; V376-L378 HydrophobicContact CG2-CD2 3.8Å; V376-L378 HydrophobicContact CG2-CG 4.07Å; V376-P393 HydrophobicContact CG2-CB 3.86Å; V376-P393 HydrophobicContact CG2-CG 3.86Å
377T94.9Very high86.4Confident9 Ų967.9 Ų67.96%0.05533%0.327CS..EExtended strand (participates in β ladder)trans-108126.3168.5-52.40000108.8F364 R366 P393 R394F364-T377 HydrophobicContact CB-CG2 3.87Å; F364-T377 HydrophobicContact CD1-CG2 4.45Å; F364-T377 HydrophobicContact CD2-CG2 4.04Å; F364-T377 HydrophobicContact CG-CG2 3.88Å; R366-T377 HydrophobicContact CG-CG2 4.29Å; R366-T377 PolarHBondContact NE-OG1 2.69Å; R366-T377 PolarHBondContact NH1-OG1 3.47Å; R366-T377 PolarHBondContact NH2-OG1 3.32Å; T377-P393 CarbonylContact O-C 3.56Å; T377-P393 WeakPolarHBondContact O-CA 3.48Å; T377-R394 HydrophobicContact CG2-CB 4.47Å; T377-R394 PolarHBondContact O-N 2.67Å
378L93.3Very high85Confident8 Ų873.3 Ų73.34%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-121.1162.1179.4-61.7176.4000109.4Y10 F364 F365 M367 V376 L391Y10-L378 HydrophobicContact CD2-CD1 4.01Å; F364-L378 VanDerWaalsContact CA-O 3.24Å; F364-L378 WeakPolarHBondContact CA-O 3.11Å; F365-L378 HydrophobicContact CD1-CB 4.21Å; F365-L378 HydrophobicContact CD2-CB 4.23Å; F365-L378 HydrophobicContact CE1-CB 3.64Å; F365-L378 HydrophobicContact CE2-CB 3.68Å; F365-L378 HydrophobicContact CE2-CD1 3.65Å; F365-L378 HydrophobicContact CE2-CG 4.22Å; F365-L378 HydrophobicContact CG-CB 4.49Å; F365-L378 HydrophobicContact CZ-CB 3.36Å; F365-L378 HydrophobicContact CZ-CD1 3.78Å; F365-L378 HydrophobicContact CZ-CG 4.2Å; F365-L378 PolarHBondContact N-O 3.09Å; F365-L378 PolarHBondContact O-N 2.81Å; M367-L378 HydrophobicContact SD-CD1 3.95Å; V376-L378 HydrophobicContact CG1-CD1 4.46Å; V376-L378 HydrophobicContact CG1-CG 4.37Å; V376-L378 HydrophobicContact CG2-CD2 3.8Å; V376-L378 HydrophobicContact CG2-CG 4.07Å; L378-L391 HydrophobicContact CB-CD1 4.26Å; L378-L391 HydrophobicContact CD1-CD1 4.12Å; L378-L391 HydrophobicContact CD2-CB 3.95Å
379E92.4Very high83.7Confident23 Ų2374.5 Ų74.511%0.10736%0.357CS..EExtended strand (participates in β ladder)trans-124.7127.7-174.9-177.1-168.2170.900110.4F364 S381 N384 R394F364-E379 HydrophobicContact CD1-CB 3.84Å; F364-E379 HydrophobicContact CD1-CG 3.99Å; F364-E379 HydrophobicContact CE1-CB 3.9Å; F364-E379 HydrophobicContact CE1-CG 3.86Å; E379-S381 PolarHBondContact O-N 3.42Å; E379-S381 WeakPolarHBondContact OE1-CB 3.25Å; E379-N384 PolarHBondContact OE1-ND2 2.8Å; E379-N384 PolarHBondContact OE2-ND2 2.75Å; E379-R394 HydrophobicContact CB-CG 4.06Å; E379-R394 IonicContact OE2-CZ 3.09Å; E379-R394 IonicContact OE2-NE 3.11Å; E379-R394 PolarHBondContact OE2-NE 3.1Å; E379-R394 IonicContact OE2-NH2 3.14Å; E379-R394 PolarHBondContact OE2-NH2 2.65Å
380A90.1Very high82.7Confident0 Ų076.8 Ų76.80%037%0.369CS..  trans-88.991171.400000110.1N363 F365 I418 V432 Y439 F441N363-A380 HydrophobicContact CB-CB 4.46Å; N363-A380 VanDerWaalsContact CB-O 3.3Å; N363-A380 WeakPolarHBondContact CB-O 3.5Å; N363-A380 PolarHBondContact ND2-O 2.78Å; N363-A380 PolarHBondContact O-N 2.84Å; F365-A380 HydrophobicContact CE1-CB 4.42Å; A380-I418 HydrophobicContact CB-CD1 4.16Å; A380-V432 HydrophobicContact CB-CG1 4.34Å; A380-Y439 HydrophobicContact CB-CD2 3.79Å; A380-Y439 HydrophobicContact CB-CE2 4.06Å; A380-Y439 HydrophobicContact CB-CG 4.05Å; A380-F441 HydrophobicContact CB-CE2 4.39Å; A380-F441 HydrophobicContact CB-CZ 4.24Å
381S84.4Confident82.1Confident14 Ų1476.5 Ų76.510%0.09837%0.369CS..  trans-141.6127.5179.8170.90000111.8E379 E383 N384 S385E379-S381 PolarHBondContact O-N 3.42Å; E379-S381 WeakPolarHBondContact OE1-CB 3.25Å; S381-E383 PolarHBondContact OG-N 3.45Å; S381-N384 PolarHBondContact OG-N 2.91Å; S381-S385 VanDerWaalsContact O-CB 3.29Å; S381-S385 WeakPolarHBondContact O-CB 3.47Å; S381-S385 PolarHBondContact O-N 3.16Å; S381-S385 PolarHBondContact O-OG 2.9Å
382R73.8Confident81.6Confident185 Ų18578.2 Ų78.270%0.69837%0.37SS*.THydrogen-bonded Turntrans-68.9-36.2175.1-173.2178.9-177.2-176.92112.4F12F12-R382 HydrophobicContact CZ-CB 4.41Å; F12-R382 HydrophobicContact CZ-CG 4.33Å
383E70.9Confident81.4Confident183 Ų18378 Ų7886%0.85537%0.37SS*.THydrogen-bonded Turntrans-70.9-36-178.2-64.8178178.300111.7S381S381-E383 PolarHBondContact OG-N 3.45Å
384N64.9Low81.3Confident93 Ų9375.2 Ų75.250%0.49736%0.357SS..THydrogen-bonded Turntrans-89-10.7-176.1-71.6-27.5000113.8E379 S381E379-N384 PolarHBondContact OE1-ND2 2.8Å; E379-N384 PolarHBondContact OE2-ND2 2.75Å; S381-N384 PolarHBondContact OG-N 2.91Å
385S66.9Low81Confident14 Ų1474.9 Ų74.910%0.09836%0.359CS..  trans-129.6114-173.5-520000111.7S381S381-S385 VanDerWaalsContact O-CB 3.29Å; S381-S385 WeakPolarHBondContact O-CB 3.47Å; S381-S385 PolarHBondContact O-N 3.16Å; S381-S385 PolarHBondContact O-OG 2.9Å
386K67.6Low80.8Confident171 Ų17172.9 Ų72.974%0.74335%0.349SS*.  trans-68.9152.6168.9-66.3-174.5179.5-176.10110.1R388 A389K386-R388 PolarHBondContact O-N 3.45Å; K386-A389 HydrophobicContact CB-CB 4.21Å; K386-A389 WeakPolarHBondContact O-CB 3.5Å; K386-A389 PolarHBondContact O-N 3.01Å
387P65.9Low80.4Confident87 Ų8773.2 Ų73.257%0.56535%0.352SS*.THydrogen-bonded Turntrans-48.5128.6167.8-2735.2000111.7P14 A389P14-P387 HydrophobicContact CG-CG 4.31Å; P387-A389 PolarHBondContact O-N 3.4Å
388R66.7Low79.7Confident124 Ų12477.8 Ų77.847%0.46838%0.38SS..THydrogen-bonded Turntrans61.721.8-177.2-52175.8-179.9172.40.1114.1L11 F12 E69 K386L11-R388 HydrophobicContact CD2-CB 4.25Å; L11-R388 WeakPolarHBondContact CD2-O 3.25Å; F12-R388 WeakPolarHBondContact O-CA 3.4Å; F12-R388 PolarHBondContact O-N 2.89Å; E69-R388 IonicContact OE1-NH2 3.41Å; K386-R388 PolarHBondContact O-N 3.45Å
389A70.7Confident78.6Confident31 Ų3180.4 Ų80.426%0.25641%0.409SS..PPolyproline II helixtrans-75.7144.6167.900000110.4L11 F12 K386 P387L11-A389 WeakPolarHBondContact CA-O 3.45Å; F12-A389 PolarHBondContact N-O 2.9Å; K386-A389 HydrophobicContact CB-CB 4.21Å; K386-A389 WeakPolarHBondContact O-CB 3.5Å; K386-A389 PolarHBondContact O-N 3.01Å; P387-A389 PolarHBondContact O-N 3.4Å
390I75.9Confident77.4Confident93 Ų9383 Ų8348%0.47744%0.441SS..BIsolated β-bridgetrans-73.8124.8170.4-58.6-180000107.9P9 L11 K392P9-I390 HydrophobicContact CB-CB 4.19Å; P9-I390 HydrophobicContact CB-CD1 3.75Å; P9-I390 HydrophobicContact CB-CG1 3.77Å; P9-I390 HydrophobicContact CB-CG2 3.5Å; L11-I390 HydrophobicContact CD2-CG1 4.41Å; I390-K392 PolarHBondContact O-N 2.78Å
391L82.9Confident75.9Confident17 Ų1793 Ų939%0.08949%0.485CS..PPolyproline II helixtrans-62.1134.5174.7-64.1-179.6000111Y10 F365 L378 F441Y10-L391 PolarHBondContact O-N 2.8Å; Y10-L391 VanDerWaalsContact O-N 3.15Å; F365-L391 HydrophobicContact CZ-CD1 4.01Å; L378-L391 HydrophobicContact CB-CD1 4.26Å; L378-L391 HydrophobicContact CD1-CD1 4.12Å; L378-L391 HydrophobicContact CD2-CB 3.95Å; L391-F441 HydrophobicContact CD1-CD1 3.7Å; L391-F441 HydrophobicContact CD1-CE1 3.67Å; L391-F441 HydrophobicContact CD1-CE2 4.49Å; L391-F441 HydrophobicContact CD1-CG 4.14Å; L391-F441 HydrophobicContact CD1-CZ 4.08Å; L391-F441 HydrophobicContact CD2-CD1 4.49Å; L391-F441 HydrophobicContact CD2-CE1 3.96Å; L391-F441 HydrophobicContact CG-CD1 4.28Å; L391-F441 HydrophobicContact CG-CE1 4.19Å
392K85.1Confident75Confident164 Ų164100.2 Ų100.271%0.71351%0.51SS*.PPolyproline II helixtrans-93.3133174.5-68.5-176.8-179.8178.90109.6I390 R394I390-K392 PolarHBondContact O-N 2.78Å; K392-R394 PolarHBondContact O-N 2.65Å
393P88.8Confident74.9Confident73 Ų73100 Ų10047%0.47451%0.509SS..PPolyproline II helixtrans-54135.8171.2-28.436.5000112V376 T377V376-P393 HydrophobicContact CG2-CB 3.86Å; V376-P393 HydrophobicContact CG2-CG 3.86Å; T377-P393 CarbonylContact O-C 3.56Å; T377-P393 WeakPolarHBondContact O-CA 3.48Å
394R90.3Very high74.8Confident55 Ų55100.8 Ų100.821%0.20851%0.51CS..PPolyproline II helixtrans-99.6150.3171.1-62.1-56-165.9179.93110.1F364 T377 E379 K392F364-R394 HydrophobicContact CE1-CB 4.21Å; F364-R394 HydrophobicContact CE1-CG 4.01Å; F364-R394 HydrophobicContact CZ-CB 4.33Å; F364-R394 HydrophobicContact CZ-CG 4.5Å; T377-R394 HydrophobicContact CG2-CB 4.47Å; T377-R394 PolarHBondContact O-N 2.67Å; E379-R394 HydrophobicContact CB-CG 4.06Å; E379-R394 IonicContact OE2-CZ 3.09Å; E379-R394 IonicContact OE2-NE 3.11Å; E379-R394 PolarHBondContact OE2-NE 3.1Å; E379-R394 IonicContact OE2-NH2 3.14Å; E379-R394 PolarHBondContact OE2-NH2 2.65Å; K392-R394 PolarHBondContact O-N 2.65Å
395K88.3Confident75.2Confident139 Ų139102.2 Ų102.260%0.60452%0.517SS*.EExtended strand (participates in β ladder)trans-129.7131.3173.1-72.7-171.9179.1-171.70109.4E406 I407K395-E406 HydrophobicContact CB-CG 4.05Å; K395-I407 PolarHBondContact O-N 3.08Å
396V89.1Confident76.1Confident29 Ų29103.2 Ų103.218%0.17652%0.52CS..EExtended strand (participates in β ladder)trans-98.1130.8174.3-175.40000108.2Y327 F364 I407 V409 L412Y327-V396 HydrophobicContact CD1-CB 3.96Å; Y327-V396 HydrophobicContact CD1-CG1 4.08Å; Y327-V396 HydrophobicContact CD2-CG1 3.82Å; Y327-V396 HydrophobicContact CE1-CB 3.82Å; Y327-V396 HydrophobicContact CE1-CG1 4.17Å; Y327-V396 HydrophobicContact CE1-CG2 3.93Å; Y327-V396 HydrophobicContact CE2-CB 4.41Å; Y327-V396 HydrophobicContact CE2-CG1 3.94Å; Y327-V396 HydrophobicContact CE2-CG2 4.4Å; Y327-V396 HydrophobicContact CG-CB 4.31Å; Y327-V396 HydrophobicContact CG-CG1 3.9Å; F364-V396 HydrophobicContact CD2-CG2 4.25Å; F364-V396 HydrophobicContact CE2-CG2 3.68Å; V396-I407 CarbonylContact C-O 3.58Å; V396-I407 VanDerWaalsContact CA-O 3.28Å; V396-I407 WeakPolarHBondContact CA-O 3.46Å; V396-V409 HydrophobicContact CG1-CB 4.5Å; V396-V409 HydrophobicContact CG1-CG2 3.56Å; V396-L412 HydrophobicContact CG1-CD1 4.25Å; V396-L412 HydrophobicContact CG2-CD2 4.36Å
397C85Confident77Confident25 Ų2596.3 Ų96.317%0.16949%0.491CS..EExtended strand (participates in β ladder)trans-115.6142.1179.458.20000111.8I407 V409C397-I407 PolarHBondContact N-O 3.05Å; C397-V409 PolarHBondContact O-N 3.28Å
398V80.6Confident78.2Confident106 Ų10693.4 Ų93.464%0.64247%0.473SS*.  trans-105.298.9179.2-173.20000108.2V409V398-V409 HydrophobicContact CG2-CG2 3.86Å
399G69.9Low79.3Confident63 Ų6387.9 Ų87.965%0.64945%0.453SS*.SBendtrans68.8147.1178.900000115.4
400G67.1Low80.2Confident76 Ų7691.8 Ų91.878%0.78447%0.47SS*.SBendtrans111.2-178.7173.600000116.3R402G400-R402 PolarHBondContact O-N 3.24Å; G400-R402 VanDerWaalsContact O-N 3.08Å
401K60.3Low80.9Confident212 Ų21290.8 Ų90.892%0.92247%0.471SS*.SBendtrans-66.3106178.6-85.7-174.1178.6178.40110.2R403K401-R403 PolarHBondContact O-N 3.33Å
402R63.7Low81.4Confident165 Ų16590.5 Ų90.562%0.62347%0.47SS*.  trans-51.4123.6175.2-177.2175.1-179.8-171.9-1.9111.7G400 E406G400-R402 PolarHBondContact O-N 3.24Å; G400-R402 VanDerWaalsContact O-N 3.08Å; R402-E406 PolarHBondContact NE-O 2.79Å
403R72.8Confident81.7Confident179 Ų17985 Ų8568%0.67545%0.448SS*.  trans-77.1154.5164.3-63.8-176.2178.2173.6-1.3109.8K401 D405 E406K401-R403 PolarHBondContact O-N 3.33Å; R403-D405 PolarHBondContact O-N 2.83Å; R403-E406 HydrophobicContact CB-CB 4.44Å; R403-E406 HydrophobicContact CB-CG 4.13Å; R403-E406 WeakPolarHBondContact CD-OE1 3.47Å; R403-E406 PolarHBondContact O-N 3.26Å
404K68.5Low82Confident200 Ų20084 Ų8487%0.8744%0.436SS*.THydrogen-bonded Turntrans-53.8-27.5-170.7-167.2174.7178178.70114.7
405D74.1Confident82.1Confident123 Ų12385.5 Ų85.566%0.65846%0.455SS*.THydrogen-bonded Turntrans-113.78.6-176.7-58.8-50000114.3R403R403-D405 PolarHBondContact O-N 2.83Å
406E84.4Confident82.4Confident35 Ų3583.1 Ų83.116%0.16445%0.445CS..EExtended strand (participates in β ladder)trans-97.4148.3178.4-72.7173.6-174.800111.7K395 R402 R403K395-E406 HydrophobicContact CB-CG 4.05Å; R402-E406 PolarHBondContact NE-O 2.79Å; R403-E406 HydrophobicContact CB-CB 4.44Å; R403-E406 HydrophobicContact CB-CG 4.13Å; R403-E406 WeakPolarHBondContact CD-OE1 3.47Å; R403-E406 PolarHBondContact O-N 3.26Å
407I87.6Confident82.7Confident26 Ų2685 Ų8513%0.13345%0.45CS..EExtended strand (participates in β ladder)trans-112.3128.2-179.4-62167.8000108.1F364 K395 V396 C397 L412F364-I407 HydrophobicContact CE1-CD1 4.27Å; F364-I407 HydrophobicContact CZ-CD1 3.6Å; K395-I407 PolarHBondContact O-N 3.08Å; V396-I407 CarbonylContact C-O 3.58Å; V396-I407 VanDerWaalsContact CA-O 3.28Å; V396-I407 WeakPolarHBondContact CA-O 3.46Å; C397-I407 PolarHBondContact N-O 3.05Å; I407-L412 HydrophobicContact CG2-CD2 3.97Å
408S90.1Very high83.3Confident27 Ų2783.8 Ų83.819%0.18944%0.442CS..EExtended strand (participates in β ladder)trans-71.4144.8176.2-175.80000110.2D410 S411S408-D410 PolarHBondContact O-N 3.4Å; S408-D410 PolarHBondContact OG-N 3.27Å; S408-S411 PolarHBondContact O-N 2.78Å
409V90.6Very high84.1Confident7 Ų780.2 Ų80.24%0.04242%0.42CS..G310 helixtrans-53.8-38.8170.7175.40000111.7Y327 L328 K331 V396 C397 V398 S411 L412Y327-V409 HydrophobicContact CD2-CG2 3.9Å; Y327-V409 HydrophobicContact CG-CG2 4.17Å; L328-V409 HydrophobicContact CD2-CG1 4.26Å; K331-V409 HydrophobicContact CG-CG1 4.1Å; V396-V409 HydrophobicContact CG1-CB 4.5Å; V396-V409 HydrophobicContact CG1-CG2 3.56Å; C397-V409 PolarHBondContact O-N 3.28Å; V398-V409 HydrophobicContact CG2-CG2 3.86Å; V409-S411 PolarHBondContact O-N 3.06Å; V409-L412 HydrophobicContact CG1-CD1 4.37Å; V409-L412 WeakPolarHBondContact O-CB 3.35Å; V409-L412 WeakPolarHBondContact O-CG 3.4Å; V409-L412 PolarHBondContact O-N 2.93Å
410D88.5Confident85.5Confident114 Ų11478.6 Ų78.661%0.6140%0.395SS*.G310 helixtrans-70.4-11.2-179.8-57.3-52.4000113.4K331 S408K331-D410 WeakPolarHBondContact CE-OD1 3.37Å; K331-D410 IonicContact NZ-OD1 3.15Å; K331-D410 PolarHBondContact NZ-OD1 3.04Å; S408-D410 PolarHBondContact O-N 3.4Å; S408-D410 PolarHBondContact OG-N 3.27Å
411S91.1Very high86.9Confident71 Ų7175.1 Ų75.150%0.49736%0.359SS..G310 helixtrans-102.26.5177.7-53.10000112.9S408 V409S408-S411 PolarHBondContact O-N 2.78Å; V409-S411 PolarHBondContact O-N 3.06Å
412L92.9Very high88.7Confident12 Ų1265.3 Ų65.36%0.06332%0.316CS..  trans-74.4133.6177.6-63.4176.1000110.4Y327 L328 N362 F364 V396 I407 V409 F414Y327-L412 HydrophobicContact CD2-CD1 4.13Å; Y327-L412 HydrophobicContact CE2-CD1 3.56Å; L328-L412 HydrophobicContact CD2-CD1 4.02Å; N362-L412 HydrophobicContact CB-CB 4.46Å; N362-L412 HydrophobicContact CB-CD2 3.8Å; F364-L412 HydrophobicContact CE2-CD2 3.75Å; F364-L412 HydrophobicContact CZ-CD2 4.45Å; V396-L412 HydrophobicContact CG1-CD1 4.25Å; V396-L412 HydrophobicContact CG2-CD2 4.36Å; I407-L412 HydrophobicContact CG2-CD2 3.97Å; V409-L412 HydrophobicContact CG1-CD1 4.37Å; V409-L412 WeakPolarHBondContact O-CB 3.35Å; V409-L412 WeakPolarHBondContact O-CG 3.4Å; V409-L412 PolarHBondContact O-N 2.93Å; L412-F414 HydrophobicContact CB-CE1 4.42Å; L412-F414 HydrophobicContact CB-CZ 4.23Å
413D93.1Very high90.3Very high48 Ų4858.1 Ų58.126%0.25729%0.289SS..  trans-90.5105.7173.4-173-12.8000109.7N362 S415 K416N362-D413 WeakPolarHBondContact CA-O 3.05Å; N362-D413 PolarHBondContact N-O 3.17Å; N362-D413 VanDerWaalsContact N-O 3.09Å; N362-D413 PolarHBondContact OD1-N 3.18Å; D413-S415 VanDerWaalsContact C-N 3.29Å; D413-S415 PolarHBondContact O-N 2.78Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.44Å; D413-S415 VanDerWaalsContact OD1-N 3.1Å; D413-S415 PolarHBondContact OD1-OG 3.37Å; D413-K416 HydrophobicContact CB-CB 4.32Å; D413-K416 HydrophobicContact CB-CD 4.16Å; D413-K416 HydrophobicContact CB-CG 4.41Å; D413-K416 PolarHBondContact O-N 2.91Å; D413-K416 VanDerWaalsContact OD2-CD 3.25Å; D413-K416 WeakPolarHBondContact OD2-CD 3.26Å; D413-K416 WeakPolarHBondContact OD2-CE 3.45Å; D413-K416 IonicContact OD2-NZ 3.39Å; D413-K416 PolarHBondContact OD2-NZ 3.49Å
414F94.4Very high91.4Very high51 Ų5149.8 Ų49.822%0.22426%0.258CS..THydrogen-bonded Turntrans-75.1-16.6-179.3-62.2-70.7000113.3L328 L335 Y361 L412 K416L328-F414 HydrophobicContact CD1-CE1 4.38Å; L328-F414 HydrophobicContact CD2-CE1 3.72Å; L328-F414 HydrophobicContact CD2-CZ 3.96Å; L335-F414 HydrophobicContact CD2-CD1 3.69Å; L335-F414 HydrophobicContact CD2-CD2 4.48Å; L335-F414 HydrophobicContact CD2-CE1 3.64Å; L335-F414 HydrophobicContact CD2-CE2 4.42Å; L335-F414 HydrophobicContact CD2-CG 4.15Å; L335-F414 HydrophobicContact CD2-CZ 4.02Å; Y361-F414 HydrophobicContact CD1-CB 4.15Å; Y361-F414 AromaticContact CD1-CD1 3.77Å; Y361-F414 HydrophobicContact CD1-CD1 3.77Å; Y361-F414 HydrophobicContact CD1-CG 4.47Å; Y361-F414 WeakPolarHBondContact CD1-O 3.4Å; Y361-F414 AromaticContact CD2-CD1 3.86Å; Y361-F414 HydrophobicContact CD2-CD1 3.86Å; Y361-F414 HydrophobicContact CD2-CE1 4.12Å; Y361-F414 HydrophobicContact CE1-CB 4.48Å; Y361-F414 HydrophobicContact CE1-CD1 4.18Å; Y361-F414 HydrophobicContact CE2-CD1 4.26Å; Y361-F414 AromaticContact CG-CD1 3.57Å; Y361-F414 HydrophobicContact CG-CD1 3.57Å; Y361-F414 HydrophobicContact CG-CE1 4.19Å; L412-F414 HydrophobicContact CB-CE1 4.42Å; L412-F414 HydrophobicContact CB-CZ 4.23Å; F414-K416 PolarHBondContact O-N 3.14Å
415S92.4Very high92.7Very high87 Ų8741.4 Ų41.461%0.60822%0.224SC*.THydrogen-bonded Turntrans-70.5-25.9172.8760000112.1D413 K417D413-S415 VanDerWaalsContact C-N 3.29Å; D413-S415 PolarHBondContact O-N 2.78Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.44Å; D413-S415 VanDerWaalsContact OD1-N 3.1Å; D413-S415 PolarHBondContact OD1-OG 3.37Å; S415-K417 PolarHBondContact O-N 2.94Å
416K94.1Very high93.5Very high89 Ų8942.1 Ų42.139%0.38722%0.223SC..SBendtrans-89.887.6178.3-75.2179.8-171.5138.60110.6Y361 N362 N363 D413 F414Y361-K416 CarbonylContact C-O 3.57Å; Y361-K416 VanDerWaalsContact C-O 3.24Å; Y361-K416 WeakPolarHBondContact CA-O 3.34Å; N362-K416 WeakPolarHBondContact CA-O 3.45Å; N362-K416 PolarHBondContact N-O 2.91Å; N363-K416 PolarHBondContact N-O 3.05Å; N363-K416 WeakPolarHBondContact OD1-CB 3.35Å; D413-K416 HydrophobicContact CB-CB 4.32Å; D413-K416 HydrophobicContact CB-CD 4.16Å; D413-K416 HydrophobicContact CB-CG 4.41Å; D413-K416 PolarHBondContact O-N 2.91Å; D413-K416 VanDerWaalsContact OD2-CD 3.25Å; D413-K416 WeakPolarHBondContact OD2-CD 3.26Å; D413-K416 WeakPolarHBondContact OD2-CE 3.45Å; D413-K416 IonicContact OD2-NZ 3.39Å; D413-K416 PolarHBondContact OD2-NZ 3.49Å; F414-K416 PolarHBondContact O-N 3.14Å
417K95.6Very high93.9Very high68 Ų6842.9 Ų42.930%0.29623%0.227SC..BIsolated β-bridgetrans-115.5136.6-17853.8-169.8176.6-173.80111.9D343 Y361 S415 L419D343-K417 VanDerWaalsContact CG-NZ 3.26Å; D343-K417 IonicContact OD1-NZ 2.77Å; D343-K417 PolarHBondContact OD1-NZ 3Å; D343-K417 WeakPolarHBondContact OD2-CD 3.29Å; D343-K417 IonicContact OD2-NZ 2.65Å; D343-K417 PolarHBondContact OD2-NZ 2.88Å; D343-K417 VanDerWaalsContact OD2-NZ 3.13Å; Y361-K417 HydrophobicContact CD1-CB 4.1Å; Y361-K417 HydrophobicContact CE1-CB 4.36Å; S415-K417 PolarHBondContact O-N 2.94Å; K417-L419 HydrophobicContact CB-CD2 4.27Å; K417-L419 HydrophobicContact CB-CG 4.35Å; K417-L419 HydrophobicContact CD-CD1 3.96Å; K417-L419 HydrophobicContact CD-CD2 4.05Å; K417-L419 HydrophobicContact CD-CG 4.04Å; K417-L419 HydrophobicContact CG-CD1 4.26Å; K417-L419 HydrophobicContact CG-CD2 4.26Å; K417-L419 HydrophobicContact CG-CG 3.97Å
418I97.8Very high94Very high0 Ų043.9 Ų43.90%023%0.232CC..  trans-93.597.8167.8-55.3-56.6000107.1F345 G359 S360 N363 F364 F365 A380 V432 A433 A434F345-I418 WeakPolarHBondContact CD1-O 3.31Å; F345-I418 WeakPolarHBondContact CE1-O 3.45Å; G359-I418 VanDerWaalsContact CA-O 3.29Å; G359-I418 WeakPolarHBondContact CA-O 3.45Å; S360-I418 PolarHBondContact O-N 2.9Å; S360-I418 VanDerWaalsContact O-N 3.09Å; N363-I418 HydrophobicContact CB-CD1 4.16Å; F364-I418 VanDerWaalsContact O-CG1 3.32Å; F364-I418 WeakPolarHBondContact O-CG1 3.5Å; F365-I418 HydrophobicContact CB-CG2 4.48Å; A380-I418 HydrophobicContact CB-CD1 4.16Å; I418-V432 HydrophobicContact CB-CG1 4.46Å; I418-V432 HydrophobicContact CD1-CG1 3.81Å; I418-V432 HydrophobicContact CG1-CG1 4.18Å; I418-V432 HydrophobicContact CG2-CG1 3.45Å; I418-V432 VanDerWaalsContact CG2-CG1 3.45Å; I418-A433 WeakPolarHBondContact CD1-O 3.47Å; I418-A434 HydrophobicContact CD1-CB 3.51Å
419L98Very high94.1Very high31 Ų3142.6 Ų42.616%0.16222%0.223CC..  trans-91.8-38.6177.5-61.7-179.2000112.1D343 F345 E346 K417D343-L419 HydrophobicContact CB-CD2 4.07Å; F345-L419 HydrophobicContact CD1-CD2 3.85Å; F345-L419 HydrophobicContact CD2-CD2 4.47Å; F345-L419 HydrophobicContact CE1-CD2 3.75Å; F345-L419 HydrophobicContact CE2-CD2 4.39Å; F345-L419 HydrophobicContact CG-CD2 4.21Å; F345-L419 HydrophobicContact CZ-CD2 4.04Å; E346-L419 WeakPolarHBondContact CB-O 3.47Å; E346-L419 PolarHBondContact N-O 3.19Å; K417-L419 HydrophobicContact CB-CD2 4.27Å; K417-L419 HydrophobicContact CB-CG 4.35Å; K417-L419 HydrophobicContact CD-CD1 3.96Å; K417-L419 HydrophobicContact CD-CD2 4.05Å; K417-L419 HydrophobicContact CD-CG 4.04Å; K417-L419 HydrophobicContact CG-CD1 4.26Å; K417-L419 HydrophobicContact CG-CD2 4.26Å; K417-L419 HydrophobicContact CG-CG 3.97Å
420H97.9Very high94.4Very high30 Ų3042.3 Ų42.314%0.13922%0.221CC..  trans-114.1129.7-172.2-48-64.7000111S31 V33 E346 A433S31-H420 VanDerWaalsContact C-CD2 3.47Å; S31-H420 PolarHBondContact O-CD2 3.42Å; S31-H420 PolarHBondContact O-CE1 3.48Å; S31-H420 PolarHBondContact O-ND1 2.84Å; S31-H420 PolarHBondContact O-NE2 3.14Å; S31-H420 VanDerWaalsContact O-NE2 3.12Å; V33-H420 HydrophobicContact CG2-CB 4.29Å; E346-H420 VanDerWaalsContact CD-ND1 3.33Å; E346-H420 IonicContact OE1-CE1 2.67Å; E346-H420 IonicContact OE1-ND1 3.57Å; E346-H420 PolarHBondContact OE1-ND1 2.77Å; E346-H420 WeakPolarHBondContact OE2-CA 3.44Å; E346-H420 IonicContact OE2-ND1 2.75Å; E346-H420 PolarHBondContact OE2-ND1 2.9Å; H420-A433 HydrophobicContact CB-CB 4.23Å; H420-A433 PolarHBondContact O-N 3.27Å; H420-A433 VanDerWaalsContact O-N 3.11Å
421T97.6Very high94.7Very high2 Ų236.9 Ų36.91%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-153.1147.8-178.7-1690000110.1V348 M357 A431V348-T421 VanDerWaalsContact CG1-O 3.24Å; V348-T421 WeakPolarHBondContact CG1-O 3.49Å; V348-T421 HydrophobicContact CG2-CG2 4.11Å; M357-T421 HydrophobicContact CE-CG2 4.03Å; M357-T421 WeakPolarHBondContact CE-OG1 3.27Å; M357-T421 HydrophobicContact CG-CG2 4.48Å; T421-A431 WeakPolarHBondContact CA-O 3.41Å; T421-A431 PolarHBondContact OG1-O 2.71Å
422T97.9Very high94.9Very high6 Ų633.5 Ų33.54%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-142.6154.5178.4-169.80000111.3V33 F35 L42 I430 A431V33-T422 HydrophobicContact CB-CG2 4.15Å; V33-T422 HydrophobicContact CG1-CG2 3.52Å; F35-T422 HydrophobicContact CD2-CG2 3.47Å; F35-T422 VanDerWaalsContact CD2-CG2 3.47Å; F35-T422 HydrophobicContact CE2-CG2 3.66Å; F35-T422 HydrophobicContact CG-CG2 4.43Å; L42-T422 HydrophobicContact CD1-CG2 3.83Å; T422-I430 WeakPolarHBondContact O-CA 3.38Å; T422-A431 HydrophobicContact CG2-CB 3.82Å; T422-A431 PolarHBondContact N-O 3.03Å; T422-A431 PolarHBondContact O-N 3.31Å
423W97.4Very high94.9Very high14 Ų1433.1 Ų33.15%0.05317%0.167CC..EExtended strand (participates in β ladder)trans-120.5134.2-179.2-158.4-51000109Y10 V348 W349 N350 V355 M357 M367 E427 I430Y10-W423 WeakPolarHBondContact OH-CH2 3.35Å; Y10-W423 WeakPolarHBondContact OH-CZ2 3.24Å; V348-W423 HydrophobicContact CG2-CB 4.14Å; W349-W423 WeakPolarHBondContact O-CB 2.96Å; N350-W423 HydrophobicContact CB-CD2 3.59Å; N350-W423 HydrophobicContact CB-CE3 3.85Å; N350-W423 HydrophobicContact CB-CG 4.23Å; N350-W423 HydrophobicContact CB-CH2 3.68Å; N350-W423 HydrophobicContact CB-CZ2 3.44Å; N350-W423 VanDerWaalsContact CB-CZ2 3.44Å; N350-W423 HydrophobicContact CB-CZ3 3.88Å; V355-W423 HydrophobicContact CB-CH2 3.92Å; V355-W423 HydrophobicContact CB-CZ3 4.25Å; V355-W423 HydrophobicContact CG1-CH2 3.68Å; V355-W423 HydrophobicContact CG1-CZ3 3.86Å; M357-W423 HydrophobicContact CB-CE3 3.88Å; M357-W423 HydrophobicContact CB-CZ3 3.9Å; M357-W423 HydrophobicContact CE-CB 4.5Å; M357-W423 HydrophobicContact CE-CE3 4.12Å; M367-W423 HydrophobicContact CE-CH2 3.14Å; M367-W423 HydrophobicContact CE-CZ2 4.15Å; M367-W423 HydrophobicContact CE-CZ3 3.41Å; M367-W423 VanDerWaalsContact CE-CZ3 3.41Å; W423-E427 PolarHBondContact NE1-O 3.1Å; W423-I430 HydrophobicContact CB-CG2 4.38Å; W423-I430 HydrophobicContact CD2-CG2 3.46Å; W423-I430 VanDerWaalsContact CD2-CG2 3.46Å; W423-I430 HydrophobicContact CE3-CG2 3.76Å; W423-I430 HydrophobicContact CG-CG2 3.77Å; W423-I430 HydrophobicContact CZ2-CG2 4.27Å; W423-I430 HydrophobicContact CZ3-CG2 4.29Å
424H96.5Very high94.8Very high5 Ų530.9 Ų30.92%0.02316%0.156CC..  trans-58.2132.5175.2-174.5-70.5000111.7F35 G39 Y70 H426 E427 I429F35-H424 HydrophobicContact CD2-CB 4.36Å; F35-H424 HydrophobicContact CE2-CB 4.14Å; F35-H424 HydrophobicContact CZ-CB 4.23Å; G39-H424 WeakPolarHBondContact CA-NE2 3.33Å; G39-H424 PolarHBondContact O-CD2 2.79Å; G39-H424 PolarHBondContact O-NE2 3.02Å; Y70-H424 PolarHBondContact OH-CD2 2.85Å; Y70-H424 VanDerWaalsContact OH-CD2 3.26Å; H424-H426 PolarHBondContact ND1-N 2.83Å; H424-H426 VanDerWaalsContact ND1-N 3.15Å; H424-H426 PolarHBondContact O-N 3.09Å; H424-E427 HydrophobicContact CB-CB 4.43Å; H424-E427 WeakPolarHBondContact ND1-CB 3.47Å; H424-E427 PolarHBondContact ND1-N 3.27Å; H424-E427 VanDerWaalsContact ND1-N 3.1Å; H424-I429 HydrophobicContact CB-CB 3.79Å; H424-I429 VanDerWaalsContact CB-O 3.26Å; H424-I429 WeakPolarHBondContact CB-O 3.35Å; H424-I429 PolarHBondContact N-O 3.11Å
425P94.2Very high94.5Very high23 Ų2331.3 Ų31.315%0.14916%0.162CC..SBendtrans-61.5-26.4-170.122.8-35.1000114.2S37 G351S37-P425 VanDerWaalsContact O-CG 3.29Å; S37-P425 WeakPolarHBondContact O-CG 3.23Å; G351-P425 WeakPolarHBondContact CA-O 3.31Å
426H92.1Very high94Very high139 Ų13928.9 Ų28.964%0.64414%0.143SC*.SBendtrans-124.5-4.5-174.9-54.2-46.9000115.5S37 H424S37-H426 PolarHBondContact O-NE2 3.27Å; H424-H426 PolarHBondContact ND1-N 2.83Å; H424-H426 VanDerWaalsContact ND1-N 3.15Å; H424-H426 PolarHBondContact O-N 3.09Å
427E91.4Very high93.7Very high51 Ų5127.8 Ų27.824%0.23814%0.141CC..SBendtrans-137.9158.6-170.4-69.5-170-149.200111.7R56 R67 W423 H424 I429R56-E427 IonicContact CZ-OE1 3.42Å; R56-E427 IonicContact CZ-OE2 3.61Å; R56-E427 IonicContact NH1-OE1 3.72Å; R56-E427 PolarHBondContact NH1-OE1 3.33Å; R56-E427 IonicContact NH1-OE2 3.29Å; R56-E427 PolarHBondContact NH1-OE2 3.47Å; R56-E427 VanDerWaalsContact NH1-OE2 3.14Å; R56-E427 IonicContact NH2-OE1 2.75Å; R56-E427 PolarHBondContact NH2-OE1 2.73Å; R56-E427 VanDerWaalsContact NH2-OE1 3.15Å; R56-E427 IonicContact NH2-OE2 2.8Å; R56-E427 PolarHBondContact NH2-OE2 2.81Å; R56-E427 VanDerWaalsContact NH2-OE2 3.09Å; R67-E427 IonicContact CZ-OE2 2.76Å; R67-E427 IonicContact NE-OE2 3.96Å; R67-E427 PolarHBondContact NE-OE2 3.31Å; R67-E427 IonicContact NH1-OE2 2.73Å; R67-E427 PolarHBondContact NH1-OE2 3.46Å; R67-E427 IonicContact NH2-OE2 3.07Å; W423-E427 PolarHBondContact NE1-O 3.1Å; H424-E427 HydrophobicContact CB-CB 4.43Å; H424-E427 WeakPolarHBondContact ND1-CB 3.47Å; H424-E427 PolarHBondContact ND1-N 3.27Å; H424-E427 VanDerWaalsContact ND1-N 3.1Å; E427-I429 HydrophobicContact CB-CD1 4.28Å; E427-I429 HydrophobicContact CB-CG1 4.1Å; E427-I429 PolarHBondContact O-N 2.97Å; E427-I429 WeakPolarHBondContact OE2-CD1 3.27Å
428N91.1Very high93.5Very high47 Ų4725 Ų2525%0.25113%0.13SC..SBendtrans-76.958.1170.7-64-27.6000111.4Q442 D443N428-Q442 WeakPolarHBondContact O-CA 3.24Å; N428-D443 HydrophobicContact CB-CB 3.76Å; N428-D443 PolarHBondContact O-N 3.08Å
429I92.5Very high93.2Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-117.4129.2171-56176000106.7F35 Y70 H424 E427 I440 F441 Q442F35-I429 HydrophobicContact CZ-CG2 4.21Å; Y70-I429 HydrophobicContact CE2-CD1 4.49Å; Y70-I429 HydrophobicContact CE2-CG2 4.36Å; H424-I429 HydrophobicContact CB-CB 3.79Å; H424-I429 VanDerWaalsContact CB-O 3.26Å; H424-I429 WeakPolarHBondContact CB-O 3.35Å; H424-I429 PolarHBondContact N-O 3.11Å; E427-I429 HydrophobicContact CB-CD1 4.28Å; E427-I429 HydrophobicContact CB-CG1 4.1Å; E427-I429 PolarHBondContact O-N 2.97Å; E427-I429 WeakPolarHBondContact OE2-CD1 3.27Å; I429-I440 HydrophobicContact CG2-CG2 3.82Å; I429-F441 CarbonylContact C-O 3.56Å; I429-F441 WeakPolarHBondContact CA-O 3.49Å; I429-Q442 HydrophobicContact CG1-CB 4.01Å
430I94.9Very high92.8Very high0 Ų025 Ų250%013%0.129CC..EExtended strand (participates in β ladder)trans-123.2146176.959.8172.5000109.1Y10 M357 F365 T422 W423 V432 I440 F441Y10-I430 HydrophobicContact CD1-CD1 4.08Å; Y10-I430 HydrophobicContact CD1-CG1 4.11Å; Y10-I430 HydrophobicContact CE1-CD1 3.92Å; Y10-I430 HydrophobicContact CE1-CG1 3.88Å; Y10-I430 HydrophobicContact CE1-CG2 4.34Å; M357-I430 HydrophobicContact CE-CB 3.89Å; M357-I430 HydrophobicContact CE-CG2 3.77Å; M357-I430 HydrophobicContact SD-CB 4.02Å; M357-I430 HydrophobicContact SD-CD1 3.74Å; M357-I430 HydrophobicContact SD-CG1 4.45Å; M357-I430 HydrophobicContact SD-CG2 3.93Å; F365-I430 HydrophobicContact CD2-CD1 4.46Å; F365-I430 HydrophobicContact CE2-CD1 3.63Å; F365-I430 HydrophobicContact CZ-CD1 4.09Å; T422-I430 WeakPolarHBondContact O-CA 3.38Å; W423-I430 HydrophobicContact CB-CG2 4.38Å; W423-I430 HydrophobicContact CD2-CG2 3.46Å; W423-I430 VanDerWaalsContact CD2-CG2 3.46Å; W423-I430 HydrophobicContact CE3-CG2 3.76Å; W423-I430 HydrophobicContact CG-CG2 3.77Å; W423-I430 HydrophobicContact CZ2-CG2 4.27Å; W423-I430 HydrophobicContact CZ3-CG2 4.29Å; I430-V432 HydrophobicContact CD1-CG2 4.3Å; I430-I440 WeakPolarHBondContact O-CA 3.14Å; I430-F441 HydrophobicContact CD1-CB 4.01Å; I430-F441 HydrophobicContact CD1-CD2 3.91Å; I430-F441 HydrophobicContact CD1-CG 4.39Å; I430-F441 HydrophobicContact CG1-CB 3.64Å; I430-F441 HydrophobicContact CG1-CD2 4Å; I430-F441 HydrophobicContact CG1-CG 4.32Å; I430-F441 PolarHBondContact N-O 3.25Å; I430-F441 PolarHBondContact O-N 2.66Å
431A94.9Very high92.4Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-120.4127.1173.100000109.1V33 F35 L42 T421 T422 L438 Y439V33-A431 HydrophobicContact CG1-CB 4.15Å; F35-A431 HydrophobicContact CE2-CB 4.06Å; F35-A431 HydrophobicContact CZ-CB 4.2Å; L42-A431 HydrophobicContact CD1-CB 4.13Å; L42-A431 HydrophobicContact CD2-CB 3.76Å; T421-A431 WeakPolarHBondContact CA-O 3.41Å; T421-A431 PolarHBondContact OG1-O 2.71Å; T422-A431 HydrophobicContact CG2-CB 3.82Å; T422-A431 PolarHBondContact N-O 3.03Å; T422-A431 PolarHBondContact O-N 3.31Å; A431-L438 HydrophobicContact CB-CD1 4.2Å; A431-Y439 CarbonylContact C-O 3.59Å; A431-Y439 WeakPolarHBondContact CA-O 3.41Å
432V95.7Very high91.7Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-126.4120.2-172.2-176.10000108.6F365 A380 I418 I430 Y439 F441F365-V432 HydrophobicContact CD1-CG1 4.32Å; F365-V432 HydrophobicContact CD1-CG2 4.48Å; A380-V432 HydrophobicContact CB-CG1 4.34Å; I418-V432 HydrophobicContact CB-CG1 4.46Å; I418-V432 HydrophobicContact CD1-CG1 3.81Å; I418-V432 HydrophobicContact CG1-CG1 4.18Å; I418-V432 HydrophobicContact CG2-CG1 3.45Å; I418-V432 VanDerWaalsContact CG2-CG1 3.45Å; I430-V432 HydrophobicContact CD1-CG2 4.3Å; V432-Y439 PolarHBondContact N-O 2.86Å; V432-Y439 PolarHBondContact O-N 3.39Å; V432-F441 HydrophobicContact CB-CE2 4.21Å; V432-F441 HydrophobicContact CG2-CD2 4.02Å; V432-F441 HydrophobicContact CG2-CE2 3.98Å
433A93.7Very high90.8Very high4 Ų424.8 Ų24.83%0.03313%0.127CC..EExtended strand (participates in β ladder)trans-87.3128.9174.900000110.6I30 V33 I418 H420I30-A433 HydrophobicContact CB-CB 4.04Å; I30-A433 HydrophobicContact CD1-CB 4.42Å; I30-A433 HydrophobicContact CG2-CB 3.71Å; V33-A433 HydrophobicContact CG2-CB 3.82Å; I418-A433 WeakPolarHBondContact CD1-O 3.47Å; H420-A433 HydrophobicContact CB-CB 4.23Å; H420-A433 PolarHBondContact O-N 3.27Å; H420-A433 VanDerWaalsContact O-N 3.11Å
434A91.1Very high89.2Confident2 Ų228.8 Ų28.82%0.01715%0.145CC..EExtended strand (participates in β ladder)trans-129104.9167.500000109.3I418 N436 N437 Y439I418-A434 HydrophobicContact CD1-CB 3.51Å; A434-N436 PolarHBondContact O-N 3.24Å; A434-N436 VanDerWaalsContact O-N 3.13Å; A434-N437 PolarHBondContact N-O 2.99Å; A434-N437 PolarHBondContact O-N 2.77Å; A434-Y439 HydrophobicContact CB-CD2 4.18Å; A434-Y439 HydrophobicContact CB-CE2 3.68Å
435T88.3Confident87.4Confident59 Ų5932.4 Ų32.436%0.36217%0.168SC..THydrogen-bonded Turntrans58-111.8-174.5-46.20000110.7I29 I30I29-T435 HydrophobicContact CD1-CG2 4.38Å; I29-T435 HydrophobicContact CG1-CG2 4.02Å; I30-T435 PolarHBondContact N-O 2.8Å
436N82.2Confident85Confident37 Ų3739.8 Ų39.820%0.19821%0.206CC..THydrogen-bonded Turntrans-99.33.717966.7-27.7000113.1H24 D28 A434H24-N436 PolarHBondContact ND1-ND2 3.27Å; D28-N436 HydrophobicContact CB-CB 4.17Å; D28-N436 WeakPolarHBondContact O-CA 3.36Å; D28-N436 VanDerWaalsContact O-CB 3.23Å; D28-N436 WeakPolarHBondContact O-CB 3.35Å; A434-N436 PolarHBondContact O-N 3.24Å; A434-N436 VanDerWaalsContact O-N 3.13Å
437N87.5Confident84.6Confident66 Ų6634.9 Ų34.935%0.35318%0.184SC..EExtended strand (participates in β ladder)trans-104.3131.5-179.3-61.4-74.8000110.7A434 Y439A434-N437 PolarHBondContact N-O 2.99Å; A434-N437 PolarHBondContact O-N 2.77Å; N437-Y439 HydrophobicContact CB-CD2 4.29Å; N437-Y439 HydrophobicContact CB-CE2 3.58Å
438L90.6Very high84.3Confident10 Ų1034 Ų345%0.05218%0.181CC..EExtended strand (participates in β ladder)trans-98.6118168.6-174.667.4000109.6P15 I30 V33 L42 T44 F54 A431P15-L438 WeakPolarHBondContact CD-O 3.46Å; P15-L438 WeakPolarHBondContact CG-O 3.16Å; I30-L438 HydrophobicContact CD1-CB 3.94Å; V33-L438 HydrophobicContact CG1-CD1 3.98Å; V33-L438 HydrophobicContact CG2-CD1 4.12Å; L42-L438 HydrophobicContact CD2-CD2 3.92Å; T44-L438 HydrophobicContact CG2-CD1 4.05Å; T44-L438 HydrophobicContact CG2-CD2 3.77Å; T44-L438 HydrophobicContact CG2-CG 4.44Å; F54-L438 HydrophobicContact CD2-CD2 4.26Å; F54-L438 HydrophobicContact CE2-CD2 3.84Å; F54-L438 HydrophobicContact CZ-CD2 4.2Å; A431-L438 HydrophobicContact CB-CD1 4.2Å
439Y90.8Very high83.9Confident16 Ų1633.3 Ų33.36%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-100.4124.5175.5-62.8-89.4000109.9F12 A380 A431 V432 A434 N437 F441F12-Y439 HydrophobicContact CD2-CD1 4.11Å; F12-Y439 AromaticContact CE2-CD1 3.37Å; F12-Y439 HydrophobicContact CE2-CD1 3.37Å; F12-Y439 AromaticContact CE2-CE1 3.49Å; F12-Y439 HydrophobicContact CE2-CE1 3.49Å; F12-Y439 VanDerWaalsContact CE2-CE1 3.49Å; F12-Y439 HydrophobicContact CZ-CD1 4.09Å; F12-Y439 HydrophobicContact CZ-CE1 4.03Å; A380-Y439 HydrophobicContact CB-CD2 3.79Å; A380-Y439 HydrophobicContact CB-CE2 4.06Å; A380-Y439 HydrophobicContact CB-CG 4.05Å; A431-Y439 CarbonylContact C-O 3.59Å; A431-Y439 WeakPolarHBondContact CA-O 3.41Å; V432-Y439 PolarHBondContact N-O 2.86Å; V432-Y439 PolarHBondContact O-N 3.39Å; A434-Y439 HydrophobicContact CB-CD2 4.18Å; A434-Y439 HydrophobicContact CB-CE2 3.68Å; N437-Y439 HydrophobicContact CB-CD2 4.29Å; N437-Y439 HydrophobicContact CB-CE2 3.58Å; Y439-F441 HydrophobicContact CD1-CZ 4.3Å; Y439-F441 HydrophobicContact CG-CZ 4.2Å
440I90.4Very high83.4Confident15 Ų1535.2 Ų35.28%0.07719%0.188CC..EExtended strand (participates in β ladder)trans-106.6121.3173-58.1177.3000108.1R13 L42 Y70 I429 I430R13-I440 PolarHBondContact N-O 3.35Å; R13-I440 VanDerWaalsContact N-O 3.13Å; L42-I440 HydrophobicContact CD2-CD1 4.01Å; L42-I440 HydrophobicContact CD2-CG1 4.41Å; Y70-I440 HydrophobicContact CD2-CD1 3.91Å; Y70-I440 HydrophobicContact CD2-CG2 4.46Å; Y70-I440 HydrophobicContact CG-CD1 3.97Å; I429-I440 HydrophobicContact CG2-CG2 3.82Å; I430-I440 WeakPolarHBondContact O-CA 3.14Å
441F88.7Confident82.6Confident0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-115.5138.8175.1-52.9-73000110.4Y10 L11 F12 F365 A380 L391 I429 I430 V432 Y439Y10-F441 HydrophobicContact CD1-CB 3.62Å; Y10-F441 HydrophobicContact CG-CB 4.07Å; L11-F441 WeakPolarHBondContact O-CA 3.32Å; F12-F441 HydrophobicContact CB-CE1 4.36Å; F12-F441 AromaticContact CD2-CE1 3.9Å; F12-F441 HydrophobicContact CD2-CE1 3.9Å; F365-F441 HydrophobicContact CE1-CD2 4.39Å; F365-F441 AromaticContact CE1-CE2 3.78Å; F365-F441 HydrophobicContact CE1-CE2 3.78Å; F365-F441 HydrophobicContact CE1-CZ 4.33Å; F365-F441 AromaticContact CZ-CD2 3.97Å; F365-F441 HydrophobicContact CZ-CD2 3.97Å; F365-F441 AromaticContact CZ-CE2 3.82Å; F365-F441 HydrophobicContact CZ-CE2 3.82Å; A380-F441 HydrophobicContact CB-CE2 4.39Å; A380-F441 HydrophobicContact CB-CZ 4.24Å; L391-F441 HydrophobicContact CD1-CD1 3.7Å; L391-F441 HydrophobicContact CD1-CE1 3.67Å; L391-F441 HydrophobicContact CD1-CE2 4.49Å; L391-F441 HydrophobicContact CD1-CG 4.14Å; L391-F441 HydrophobicContact CD1-CZ 4.08Å; L391-F441 HydrophobicContact CD2-CD1 4.49Å; L391-F441 HydrophobicContact CD2-CE1 3.96Å; L391-F441 HydrophobicContact CG-CD1 4.28Å; L391-F441 HydrophobicContact CG-CE1 4.19Å; I429-F441 CarbonylContact C-O 3.56Å; I429-F441 WeakPolarHBondContact CA-O 3.49Å; I430-F441 HydrophobicContact CD1-CB 4.01Å; I430-F441 HydrophobicContact CD1-CD2 3.91Å; I430-F441 HydrophobicContact CD1-CG 4.39Å; I430-F441 HydrophobicContact CG1-CB 3.64Å; I430-F441 HydrophobicContact CG1-CD2 4Å; I430-F441 HydrophobicContact CG1-CG 4.32Å; I430-F441 PolarHBondContact N-O 3.25Å; I430-F441 PolarHBondContact O-N 2.66Å; V432-F441 HydrophobicContact CB-CE2 4.21Å; V432-F441 HydrophobicContact CG2-CD2 4.02Å; V432-F441 HydrophobicContact CG2-CE2 3.98Å; Y439-F441 HydrophobicContact CD1-CZ 4.3Å; Y439-F441 HydrophobicContact CG-CZ 4.2Å
442Q84.4Confident81.8Confident10 Ų1039.9 Ų39.95%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-136.2146.6178.654.7165.957.300110.9Y10 L11 R13 N428 I429Y10-Q442 CarbonylContact C-O 3.59Å; Y10-Q442 WeakPolarHBondContact CA-O 3.48Å; L11-Q442 HydrophobicContact CB-CG 4.29Å; L11-Q442 PolarHBondContact N-O 2.94Å; L11-Q442 PolarHBondContact O-N 3.29Å; R13-Q442 VanDerWaalsContact CZ-CD 3.49Å; R13-Q442 VanDerWaalsContact NE-CD 3.29Å; N428-Q442 WeakPolarHBondContact O-CA 3.24Å; I429-Q442 HydrophobicContact CG1-CB 4.01Å
443D78.8Confident80.8Confident22 Ų2242.8 Ų42.812%0.11823%0.228CC..  trans-62.3150.5174-170.325000111.9L8 P9 N428 V445L8-D443 WeakPolarHBondContact CD2-OD2 3.4Å; P9-D443 WeakPolarHBondContact CD-OD1 3.36Å; N428-D443 HydrophobicContact CB-CB 3.76Å; N428-D443 PolarHBondContact O-N 3.08Å; D443-V445 PolarHBondContact O-N 3.05Å
444K63.9Low79.8Confident98 Ų9845.8 Ų45.843%0.42624%0.243SC..  trans-78.4108173.2-169.3-176.6177.1-172.20108.3P9 L11 N446P9-K444 HydrophobicContact CB-CB 4.32Å; P9-K444 HydrophobicContact CG-CB 3.48Å; P9-K444 VanDerWaalsContact CG-CB 3.48Å; P9-K444 HydrophobicContact CG-CD 4.47Å; P9-K444 PolarHBondContact O-N 2.91Å; L11-K444 HydrophobicContact CD1-CB 4.16Å; L11-K444 HydrophobicContact CD1-CG 4.26Å; L11-K444 HydrophobicContact CG-CB 4.43Å; K444-N446 PolarHBondContact O-N 2.78Å
445V57.3Low78.9Confident81 Ų8149.4 Ų49.449%0.49126%0.262SS..  trans-65.9121.9165.1-170.90000107.1R67 D443R67-V445 HydrophobicContact CG-CG2 4.5Å; D443-V445 PolarHBondContact O-N 3.05Å
446N44Very low78.1Confident179 Ų17948.5 Ų48.596%0.95725%0.253SS*.  trans-74.70173-80.6-36.2000111.1K444K444-N446 PolarHBondContact O-N 2.78Å

Retrieved 446 of 446 residues in 126.7 ms (Link to these results)

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