H9ETK3_MACMU Loading...

Contactin-4 isoform c

AlphaFold DB , UniProt , Accession H9ETK3, Species MACMU (Macaca mulatta, Rhesus macaque), Gene CNTN4, Length 282 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
1M50.2Low69.9Low208 Ų208117.5 Ų117.5100%1.02567%0.668SS**  0120.50-82.5-177.4-95.600107.6
2I67.8Low69.8Low165 Ų165119.8 Ų119.885%0.84668%0.678SS**  trans-95107.3179.7-60.2169.6000106.2
3W69.7Low69.6Low141 Ų141114.4 Ų114.453%0.53466%0.657SS.*PPolyproline II helixtrans-77.2131.4171.1-69.392.7000108.4E30W3-E30 HydrophobicContact CH2-CB 4.19Å
4M72.4Confident69.6Low111 Ų111115.6 Ų115.655%0.54768%0.675SS.*PPolyproline II helixtrans-98126.2170.1-77.7176.8-61.100108.9F18M4-F18 HydrophobicContact CE-CE1 3.65Å; M4-F18 HydrophobicContact CE-CE2 3.91Å; M4-F18 HydrophobicContact CE-CZ 3.13Å; M4-F18 HydrophobicContact SD-CE2 3.98Å; M4-F18 HydrophobicContact SD-CZ 3.53Å; M4-F18 VanDerWaalsContact SD-CZ 3.53Å
5L76.6Confident69.7Low150 Ų150121.4 Ų121.479%0.78568%0.681SS**PPolyproline II helixtrans-95.4134.3171.7-166.979.3000108.5
6T76.1Confident70Confident72 Ų72120.4 Ų120.444%0.44267%0.665SS.*  trans-132.2141170-163.30000109.5Y16T6-Y16 WeakPolarHBondContact CB-OH 3.29Å; T6-Y16 HydrophobicContact CG2-CD1 4.32Å; T6-Y16 HydrophobicContact CG2-CE1 3.62Å; T6-Y16 HydrophobicContact CG2-CE2 4.21Å; T6-Y16 PolarHBondContact OG1-OH 3.35Å
7V76.9Confident70.2Confident89 Ų89119.2 Ų119.254%0.53966%0.661SS.*  trans-105.1122.6-179.9169.90000108.2F36V7-F36 HydrophobicContact CB-CE1 4.37Å; V7-F36 HydrophobicContact CB-CZ 4.42Å; V7-F36 HydrophobicContact CG1-CE1 3.74Å; V7-F36 HydrophobicContact CG1-CZ 3.54Å; V7-F36 HydrophobicContact CG2-CE1 3.99Å; V7-F36 HydrophobicContact CG2-CZ 4.04Å
8L73.4Confident70.5Confident77 Ų77117.9 Ų117.940%0.40365%0.648SS.*  trans-87.3130.2172-69.5176.5000109.6S10 Y16L8-S10 VanDerWaalsContact C-N 3.29Å; L8-S10 PolarHBondContact O-N 3.13Å; L8-Y16 HydrophobicContact CD2-CD2 3.3Å; L8-Y16 HydrophobicContact CD2-CE2 3.98Å; L8-Y16 HydrophobicContact CD2-CG 3.82Å; L8-Y16 HydrophobicContact CG-CD2 4.46Å
9A67.4Low70.6Confident113 Ų113122.4 Ų122.493%0.93465%0.654SS**SBendtrans-74.3-17-175.200000114
10S72.5Confident70.8Confident58 Ų58119.2 Ų119.241%0.40664%0.637SS.*  trans-139137.1178.8178.20000111.2L8 D12 A13L8-S10 VanDerWaalsContact C-N 3.29Å; L8-S10 PolarHBondContact O-N 3.13Å; S10-D12 PolarHBondContact O-N 2.83Å; S10-D12 PolarHBondContact OG-N 2.91Å; S10-D12 VanDerWaalsContact OG-N 3.1Å; S10-A13 WeakPolarHBondContact O-CB 3.35Å; S10-A13 PolarHBondContact O-N 3.17Å
11A65.8Low71.1Confident108 Ų108121.3 Ų121.389%0.89364%0.643SS**THydrogen-bonded Turntrans-67.2-19.4171.600000112.6A13A11-A13 VanDerWaalsContact C-N 3.31Å
12D69.3Low72.5Confident146 Ų146116.2 Ų116.278%0.78163%0.628SS**THydrogen-bonded Turntrans-87.41.3179.2-58.3-40000112.9S10 S14S10-D12 PolarHBondContact O-N 2.83Å; S10-D12 PolarHBondContact OG-N 2.91Å; S10-D12 VanDerWaalsContact OG-N 3.1Å; D12-S14 PolarHBondContact O-N 2.75Å
13A66.6Low73.1Confident49 Ų49110 Ų11041%0.40560%0.597SS.*  trans-68.1102.5177.300000110.3S10 A11 R15S10-A13 WeakPolarHBondContact O-CB 3.35Å; S10-A13 PolarHBondContact O-N 3.17Å; A11-A13 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 3.16Å
14S69.4Low73.7Confident131 Ų131111.8 Ų111.892%0.91660%0.604SS**  trans-71.6-12.9-179.458.90000114.3D12D12-S14 PolarHBondContact O-N 2.75Å
15R72.1Confident74.2Confident203 Ų203107.3 Ų107.377%0.76658%0.583SS**  trans-150.1127.5-178.8-168.7173.474.9179.83.8112A13 V17A13-R15 PolarHBondContact O-N 3.16Å; R15-V17 HydrophobicContact CG-CG2 4.27Å
16Y74.3Confident74.7Confident106 Ų106103.6 Ų103.642%0.41656%0.561SS.*  trans-109.8132.6164.1179.7-111.5000109.7T6 L8 F18T6-Y16 WeakPolarHBondContact CB-OH 3.29Å; T6-Y16 HydrophobicContact CG2-CD1 4.32Å; T6-Y16 HydrophobicContact CG2-CE1 3.62Å; T6-Y16 HydrophobicContact CG2-CE2 4.21Å; T6-Y16 PolarHBondContact OG1-OH 3.35Å; L8-Y16 HydrophobicContact CD2-CD2 3.3Å; L8-Y16 HydrophobicContact CD2-CE2 3.98Å; L8-Y16 HydrophobicContact CD2-CG 3.82Å; L8-Y16 HydrophobicContact CG-CD2 4.46Å; Y16-F18 HydrophobicContact CD1-CB 4.39Å; Y16-F18 HydrophobicContact CE1-CB 3.77Å; Y16-F18 HydrophobicContact CE1-CD2 4.24Å; Y16-F18 HydrophobicContact CE1-CG 4.5Å
17V72.9Confident75.1Confident99 Ų99101.1 Ų101.160%0.655%0.547SS*.  trans-111.5106.9174.9-178.70000107.8R15 R19R15-V17 HydrophobicContact CG-CG2 4.27Å; V17-R19 PolarHBondContact O-N 3.38Å
18F74.9Confident75.7Confident96 Ų96100.7 Ų100.742%0.42155%0.546SS..  trans-77.8118.6170.5-177.5-110.4000109.1M4 Y16 N20M4-F18 HydrophobicContact CE-CE1 3.65Å; M4-F18 HydrophobicContact CE-CE2 3.91Å; M4-F18 HydrophobicContact CE-CZ 3.13Å; M4-F18 HydrophobicContact SD-CE2 3.98Å; M4-F18 HydrophobicContact SD-CZ 3.53Å; M4-F18 VanDerWaalsContact SD-CZ 3.53Å; Y16-F18 HydrophobicContact CD1-CB 4.39Å; Y16-F18 HydrophobicContact CE1-CB 3.77Å; Y16-F18 HydrophobicContact CE1-CD2 4.24Å; Y16-F18 HydrophobicContact CE1-CG 4.5Å; F18-N20 HydrophobicContact CD1-CB 4.25Å; F18-N20 HydrophobicContact CE1-CB 3.34Å; F18-N20 HydrophobicContact CE2-CB 4.4Å; F18-N20 HydrophobicContact CZ-CB 3.42Å; F18-N20 VanDerWaalsContact CZ-CB 3.42Å
19R72.9Confident76.2Confident204 Ų204100.2 Ų100.277%0.7754%0.54SS*.  trans-113.9116.1175.8-170.4172.5177.7167.5-1.1109V17 E21V17-R19 PolarHBondContact O-N 3.38Å; R19-E21 IonicContact NE-OE1 3.15Å; R19-E21 IonicContact NH2-OE1 2.65Å
20N75.2Confident77.3Confident57 Ų57100 Ų10031%0.30552%0.52SS..  trans-142.4119.1174.4-176.7-7.6000109.2F18 S22 V23F18-N20 HydrophobicContact CD1-CB 4.25Å; F18-N20 HydrophobicContact CE1-CB 3.34Å; F18-N20 HydrophobicContact CE2-CB 4.4Å; F18-N20 HydrophobicContact CZ-CB 3.42Å; F18-N20 VanDerWaalsContact CZ-CB 3.42Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 VanDerWaalsContact CG-OG 3.28Å; N20-S22 PolarHBondContact ND2-OG 3.1Å; N20-S22 WeakPolarHBondContact OD1-CB 3.42Å; N20-S22 PolarHBondContact OD1-N 2.76Å; N20-S22 PolarHBondContact OD1-OG 3.49Å; N20-V23 HydrophobicContact CB-CG2 4Å
21E76.5Confident78Confident164 Ų164100.3 Ų100.377%0.76652%0.519SS*.THydrogen-bonded Turntrans-82.5-10.9-175.9-58.6-175.9167.400112.6R19 V23R19-E21 IonicContact NE-OE1 3.15Å; R19-E21 IonicContact NH2-OE1 2.65Å; E21-V23 VanDerWaalsContact C-N 3.32Å
22S80.6Confident79.2Confident101 Ų10199.3 Ų99.371%0.70650%0.495SS*.THydrogen-bonded Turntrans-83.9-9.3174.665.60000113.6N20N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 VanDerWaalsContact CG-OG 3.28Å; N20-S22 PolarHBondContact ND2-OG 3.1Å; N20-S22 WeakPolarHBondContact OD1-CB 3.42Å; N20-S22 PolarHBondContact OD1-N 2.76Å; N20-S22 PolarHBondContact OD1-OG 3.49Å
23V79.7Confident80Confident34 Ų3496.8 Ų96.821%0.20649%0.485CS..SBendtrans-78.4129.5178.3158.50000109.9N20 E21 F29N20-V23 HydrophobicContact CB-CG2 4Å; E21-V23 VanDerWaalsContact C-N 3.32Å; V23-F29 HydrophobicContact CB-CZ 3.92Å; V23-F29 HydrophobicContact CG1-CE1 4.31Å; V23-F29 HydrophobicContact CG1-CE2 3.37Å; V23-F29 HydrophobicContact CG1-CZ 3.17Å; V23-F29 HydrophobicContact CG2-CE1 3.89Å; V23-F29 HydrophobicContact CG2-CE2 4.4Å; V23-F29 HydrophobicContact CG2-CZ 3.52Å
24R82.6Confident80.9Confident179 Ų17995.9 Ų95.968%0.67548%0.48SS*.PPolyproline II helixtrans-63.6147.9173.5-70-179.3-175.7177.81.1110.9S27 S52R24-S27 VanDerWaalsContact CB-OG 3.24Å; R24-S27 WeakPolarHBondContact CB-OG 3.29Å; R24-S27 VanDerWaalsContact O-CB 3.3Å; R24-S27 WeakPolarHBondContact O-CB 3.45Å; R24-S27 PolarHBondContact O-OG 3.34Å; R24-S52 PolarHBondContact O-OG 3.01Å
25P83.3Confident81.7Confident17 Ų1794.6 Ų94.611%0.1147%0.466CS..THydrogen-bonded Turntrans-60.9154.1175.4-23.135000112S27 E55 N85P25-S27 PolarHBondContact O-N 3.41Å; P25-S27 PolarHBondContact O-OG 3.41Å; P25-E55 HydrophobicContact CB-CB 4.03Å; P25-E55 HydrophobicContact CB-CG 3.88Å; P25-E55 HydrophobicContact CG-CB 4.02Å; P25-E55 HydrophobicContact CG-CG 3.6Å; P25-E55 WeakPolarHBondContact CG-OE1 3.42Å; P25-E55 WeakPolarHBondContact CG-OE2 3.46Å; P25-N85 CarbonylContact C-O 3.58Å
26F85.8Confident82.3Confident73 Ų7390.9 Ų90.932%0.3246%0.456SS..THydrogen-bonded Turntrans41.341.9177.8-164-110.7000114Y51 S52 A53 E54 G87F26-Y51 HydrophobicContact CD1-CD1 4.39Å; F26-Y51 HydrophobicContact CD2-CD1 4.17Å; F26-Y51 HydrophobicContact CD2-CG 4.48Å; F26-Y51 HydrophobicContact CE1-CD1 4.31Å; F26-Y51 HydrophobicContact CE1-CE1 4.3Å; F26-Y51 HydrophobicContact CE2-CD1 4.08Å; F26-Y51 HydrophobicContact CE2-CG 4.27Å; F26-Y51 HydrophobicContact CG-CD1 4.33Å; F26-Y51 HydrophobicContact CZ-CD1 4.15Å; F26-Y51 HydrophobicContact CZ-CE1 4.31Å; F26-S52 PolarHBondContact N-OG 3.04Å; F26-S52 VanDerWaalsContact N-OG 3.11Å; F26-A53 PolarHBondContact N-O 3.28Å; F26-E54 HydrophobicContact CD2-CG 3.85Å; F26-E54 HydrophobicContact CE2-CG 4.49Å; F26-G87 VanDerWaalsContact CB-N 3.33Å
27S85.9Confident82.8Confident20 Ų2090.4 Ų90.414%0.1446%0.461CS..  trans-102137-177.1-67.40000109.7R24 P25 F29 Y51 S52R24-S27 VanDerWaalsContact CB-OG 3.24Å; R24-S27 WeakPolarHBondContact CB-OG 3.29Å; R24-S27 VanDerWaalsContact O-CB 3.3Å; R24-S27 WeakPolarHBondContact O-CB 3.45Å; R24-S27 PolarHBondContact O-OG 3.34Å; P25-S27 PolarHBondContact O-N 3.41Å; P25-S27 PolarHBondContact O-OG 3.41Å; S27-F29 WeakPolarHBondContact O-CD2 3.47Å; S27-F29 WeakPolarHBondContact O-CE2 3.39Å; S27-Y51 WeakPolarHBondContact O-CA 3.48Å; S27-S52 PolarHBondContact N-OG 3.22Å; S27-S52 PolarHBondContact O-N 2.99Å
28P87.9Confident83.4Confident80 Ų8093.2 Ų93.252%0.51947%0.472SS..EExtended strand (participates in β ladder)trans-73.5137.7179.529.8-33.6000110.8V49 V50 Y51P28-V49 HydrophobicContact CB-CG1 3.75Å; P28-V50 CarbonylContact C-O 3.55Å; P28-V50 WeakPolarHBondContact CA-O 3.38Å; P28-Y51 HydrophobicContact CB-CD1 4.37Å; P28-Y51 HydrophobicContact CB-CE1 3.96Å; P28-Y51 HydrophobicContact CG-CE1 4.48Å
29F85.3Confident84.1Confident67 Ų6797.8 Ų97.829%0.29449%0.492SS..EExtended strand (participates in β ladder)trans-125.8133.9172.9-67.9-83.6000109.4V23 S27 V31 V49 V50V23-F29 HydrophobicContact CB-CZ 3.92Å; V23-F29 HydrophobicContact CG1-CE1 4.31Å; V23-F29 HydrophobicContact CG1-CE2 3.37Å; V23-F29 HydrophobicContact CG1-CZ 3.17Å; V23-F29 HydrophobicContact CG2-CE1 3.89Å; V23-F29 HydrophobicContact CG2-CE2 4.4Å; V23-F29 HydrophobicContact CG2-CZ 3.52Å; S27-F29 WeakPolarHBondContact O-CD2 3.47Å; S27-F29 WeakPolarHBondContact O-CE2 3.39Å; F29-V31 HydrophobicContact CB-CG2 4.42Å; F29-V49 CarbonylContact O-C 3.35Å; F29-V49 VanDerWaalsContact O-CA 3.29Å; F29-V49 WeakPolarHBondContact O-CA 3.24Å; F29-V50 HydrophobicContact CB-CG2 4.04Å; F29-V50 PolarHBondContact N-O 2.93Å; F29-V50 PolarHBondContact O-N 2.59Å
30E89.9Confident84.7Confident109 Ų10989.8 Ų89.851%0.50947%0.473SS..EExtended strand (participates in β ladder)trans-85.2124.9167.6-74.5-179.6-168.800109.4W3 T47 V49W3-E30 HydrophobicContact CH2-CB 4.19Å; E30-T47 HydrophobicContact CB-CG2 3.64Å; E30-T47 HydrophobicContact CG-CG2 3.87Å; E30-V49 HydrophobicContact CG-CG2 4.15Å
31V87.6Confident85.3Confident64 Ų6494.1 Ų94.139%0.38849%0.492SS..EExtended strand (participates in β ladder)trans-126.6133-179.7-178.70000108.9F29 V33 T48 V50F29-V31 HydrophobicContact CB-CG2 4.42Å; V31-V33 HydrophobicContact CG1-CG2 4.43Å; V31-T48 PolarHBondContact N-O 2.96Å; V31-T48 PolarHBondContact O-N 2.75Å; V31-V50 HydrophobicContact CG2-CG2 3.63Å
32K89.9Confident85.9Confident86 Ų8687.5 Ų87.537%0.37447%0.468SS..  trans-131.3148.5165.464.6179-174.61710108.1F44K32-F44 HydrophobicContact CD-CB 4.06Å; K32-F44 HydrophobicContact CD-CD1 3.88Å; K32-F44 HydrophobicContact CD-CG 4Å; K32-F44 HydrophobicContact CG-CD1 3.93Å; K32-F44 HydrophobicContact CG-CG 4.49Å
33V86.9Confident86.3Confident94 Ų9488.2 Ų88.257%0.5747%0.47SS*.  trans-118.7130.7-178.3-171.70000108.1V31 F44 S45V31-V33 HydrophobicContact CG1-CG2 4.43Å; V33-F44 CarbonylContact O-C 3.56Å; V33-F44 WeakPolarHBondContact O-CA 3.3Å; V33-S45 PolarHBondContact N-OG 2.91Å; V33-S45 WeakPolarHBondContact O-CB 3.44Å; V33-S45 PolarHBondContact O-N 3.04Å; V33-S45 PolarHBondContact O-OG 2.91Å
34G86.4Confident86.8Confident30 Ų3091 Ų9131%0.30948%0.48SS..EExtended strand (participates in β ladder)trans-123.4155.517600000110
35V84.8Confident87.3Confident103 Ų10384.8 Ų84.862%0.62446%0.463SS*.EExtended strand (participates in β ladder)trans-99.4147.8172.1-63.30000109.3G42V35-G42 WeakPolarHBondContact O-CA 3.4Å; V35-G42 PolarHBondContact O-N 3.25Å
36F84.9Confident87.7Confident126 Ų12689.1 Ų89.155%0.55349%0.491SS*.EExtended strand (participates in β ladder)trans-140.2154.6172.277.3-82.3000110.1V7 G40 E41V7-F36 HydrophobicContact CB-CE1 4.37Å; V7-F36 HydrophobicContact CB-CZ 4.42Å; V7-F36 HydrophobicContact CG1-CE1 3.74Å; V7-F36 HydrophobicContact CG1-CZ 3.54Å; V7-F36 HydrophobicContact CG2-CE1 3.99Å; V7-F36 HydrophobicContact CG2-CZ 4.04Å; F36-G40 WeakPolarHBondContact CA-O 3.13Å; F36-E41 HydrophobicContact CB-CG 4.25Å
37N85.1Confident88.1Confident96 Ų9689.2 Ų89.251%0.51350%0.498SS..EExtended strand (participates in β ladder)trans-141.9-172.317367.117.5000110.7K39 G40N37-K39 PolarHBondContact O-N 2.76Å; N37-K39 VanDerWaalsContact O-N 3.16Å; N37-K39 WeakPolarHBondContact OD1-CA 3.41Å; N37-K39 VanDerWaalsContact OD1-CB 3.29Å; N37-K39 WeakPolarHBondContact OD1-CB 3.17Å; N37-K39 PolarHBondContact OD1-N 2.83Å; N37-G40 PolarHBondContact N-O 2.97Å; N37-G40 PolarHBondContact O-N 3.47Å; N37-G40 PolarHBondContact OD1-N 2.83Å; N37-G40 VanDerWaalsContact OD1-N 3.13Å; N37-G40 PolarHBondContact OD1-O 2.84Å
38N86.4Confident88.3Confident158 Ų15892.1 Ų92.185%0.84552%0.515SS*.THydrogen-bonded Turntrans-66.9-7.617859.4-2.2000114.9
39K87.8Confident88.4Confident191 Ų19191.9 Ų91.983%0.8351%0.512SS*.THydrogen-bonded Turntrans-97.1-21.4173.7-60.5-66.5-175.1175.50112.7N37N37-K39 PolarHBondContact O-N 2.76Å; N37-K39 VanDerWaalsContact O-N 3.16Å; N37-K39 WeakPolarHBondContact OD1-CA 3.41Å; N37-K39 VanDerWaalsContact OD1-CB 3.29Å; N37-K39 WeakPolarHBondContact OD1-CB 3.17Å; N37-K39 PolarHBondContact OD1-N 2.83Å
40G85.7Confident88.6Confident37 Ų3791.8 Ų91.838%0.38152%0.517SS..EExtended strand (participates in β ladder)trans147.9-168.2177.700000114F36 N37F36-G40 WeakPolarHBondContact CA-O 3.13Å; N37-G40 PolarHBondContact N-O 2.97Å; N37-G40 PolarHBondContact O-N 3.47Å; N37-G40 PolarHBondContact OD1-N 2.83Å; N37-G40 VanDerWaalsContact OD1-N 3.13Å; N37-G40 PolarHBondContact OD1-O 2.84Å
41E88.8Confident88.4Confident147 Ų14793 Ų9369%0.68752%0.518SS*.EExtended strand (participates in β ladder)trans-84.9135.4176.2-65.5-179.4-179.800111F36F36-E41 HydrophobicContact CB-CG 4.25Å
42G88.1Confident88.3Confident26 Ų2691.2 Ų91.227%0.26851%0.508SS..EExtended strand (participates in β ladder)trans-88.5-175.9169.700000112.3V35V35-G42 WeakPolarHBondContact O-CA 3.4Å; V35-G42 PolarHBondContact O-N 3.25Å
43P90.3Very high88Confident115 Ų11591 Ų9175%0.74752%0.522SS*.EExtended strand (participates in β ladder)trans-65.9144.6-179.527.6-33.9000111.8
44F90.5Very high88.1Confident94 Ų9488.2 Ų88.241%0.41250%0.503SS..EExtended strand (participates in β ladder)trans-82.2150.9169.8-71.5-85.3000111.2K32 V33K32-F44 HydrophobicContact CD-CB 4.06Å; K32-F44 HydrophobicContact CD-CD1 3.88Å; K32-F44 HydrophobicContact CD-CG 4Å; K32-F44 HydrophobicContact CG-CD1 3.93Å; K32-F44 HydrophobicContact CG-CG 4.49Å; V33-F44 CarbonylContact O-C 3.56Å; V33-F44 WeakPolarHBondContact O-CA 3.3Å
45S91.1Very high88.2Confident47 Ų4791 Ų9133%0.32951%0.508SS..PPolyproline II helixtrans-63.6166.2165.877.40000111.4V33V33-S45 PolarHBondContact N-OG 2.91Å; V33-S45 WeakPolarHBondContact O-CB 3.44Å; V33-S45 PolarHBondContact O-N 3.04Å; V33-S45 PolarHBondContact O-OG 2.91Å
46P93.5Very high88.6Confident108 Ų10890.8 Ų90.870%0.70150%0.5SS*.PPolyproline II helixtrans-54.8147.4163.2-23.134.1000111.4T48P46-T48 PolarHBondContact O-N 3.11Å
47T92.7Very high88.9Confident75 Ų7585 Ų8546%0.4648%0.475SS..PPolyproline II helixtrans-69.6122.5170.4-57.10000109.2E30E30-T47 HydrophobicContact CB-CG2 3.64Å; E30-T47 HydrophobicContact CG-CG2 3.87Å
48T91.1Very high89.3Confident81 Ų8184.1 Ų84.150%0.49747%0.473SS..EExtended strand (participates in β ladder)trans-113.1139.9174.7-65.20000109.6V31 P46 V50V31-T48 PolarHBondContact N-O 2.96Å; V31-T48 PolarHBondContact O-N 2.75Å; P46-T48 PolarHBondContact O-N 3.11Å; T48-V50 HydrophobicContact CG2-CG1 4.22Å
49V90.4Very high89.7Confident76 Ų7681.5 Ų81.546%0.46145%0.454SS..EExtended strand (participates in β ladder)trans-87.6123.9171.2-178.90000109.5P28 F29 E30 Y51P28-V49 HydrophobicContact CB-CG1 3.75Å; F29-V49 CarbonylContact O-C 3.35Å; F29-V49 VanDerWaalsContact O-CA 3.29Å; F29-V49 WeakPolarHBondContact O-CA 3.24Å; E30-V49 HydrophobicContact CG-CG2 4.15Å; V49-Y51 HydrophobicContact CG1-CE2 4.3Å
50V88.1Confident90Very high65 Ų6575.1 Ų75.139%0.39443%0.432SS..EExtended strand (participates in β ladder)trans-118.5160.4171.7-58.30000109.6P28 F29 V31 T48P28-V50 CarbonylContact C-O 3.55Å; P28-V50 WeakPolarHBondContact CA-O 3.38Å; F29-V50 HydrophobicContact CB-CG2 4.04Å; F29-V50 PolarHBondContact N-O 2.93Å; F29-V50 PolarHBondContact O-N 2.59Å; V31-V50 HydrophobicContact CG2-CG2 3.63Å; T48-V50 HydrophobicContact CG2-CG1 4.22Å
51Y85.4Confident90.5Very high135 Ų13573.6 Ų73.653%0.52942%0.416SS..EExtended strand (participates in β ladder)trans-110.9143.7177.5-71.3-98.6000110.5F26 S27 P28 V49F26-Y51 HydrophobicContact CD1-CD1 4.39Å; F26-Y51 HydrophobicContact CD2-CD1 4.17Å; F26-Y51 HydrophobicContact CD2-CG 4.48Å; F26-Y51 HydrophobicContact CE1-CD1 4.31Å; F26-Y51 HydrophobicContact CE1-CE1 4.3Å; F26-Y51 HydrophobicContact CE2-CD1 4.08Å; F26-Y51 HydrophobicContact CE2-CG 4.27Å; F26-Y51 HydrophobicContact CG-CD1 4.33Å; F26-Y51 HydrophobicContact CZ-CD1 4.15Å; F26-Y51 HydrophobicContact CZ-CE1 4.31Å; S27-Y51 WeakPolarHBondContact O-CA 3.48Å; P28-Y51 HydrophobicContact CB-CD1 4.37Å; P28-Y51 HydrophobicContact CB-CE1 3.96Å; P28-Y51 HydrophobicContact CG-CE1 4.48Å; V49-Y51 HydrophobicContact CG1-CE2 4.3Å
52S86.3Confident90.8Very high26 Ų2668.8 Ų68.818%0.18240%0.401CS..PPolyproline II helixtrans-63.5162.4164.2550000110.9R24 F26 S27R24-S52 PolarHBondContact O-OG 3.01Å; F26-S52 PolarHBondContact N-OG 3.04Å; F26-S52 VanDerWaalsContact N-OG 3.11Å; S27-S52 PolarHBondContact N-OG 3.22Å; S27-S52 PolarHBondContact O-N 2.99Å
53A84.5Confident91.2Very high81 Ų8172.5 Ų72.567%0.66942%0.423SS*.PPolyproline II helixtrans-54.1148.8178.100000112F26F26-A53 PolarHBondContact N-O 3.28Å
54E88.1Confident91.5Very high36 Ų3668.3 Ų68.317%0.16839%0.394CS..PPolyproline II helixtrans-69.4156.6167.4-62.9-166.7158.200109.9F26 G87 R88 S138 A139F26-E54 HydrophobicContact CD2-CG 3.85Å; F26-E54 HydrophobicContact CE2-CG 4.49Å; E54-G87 WeakPolarHBondContact OE1-CA 3.33Å; E54-R88 PolarHBondContact OE1-N 2.86Å; E54-S138 WeakPolarHBondContact OE2-CB 3.38Å; E54-S138 PolarHBondContact OE2-N 2.56Å; E54-S138 VanDerWaalsContact OE2-N 3.08Å; E54-S138 PolarHBondContact OE2-OG 3.08Å; E54-A139 HydrophobicContact CB-CB 3.97Å; E54-A139 WeakPolarHBondContact O-CB 3.08Å
55E88.9Confident91.9Very high88 Ų8869.6 Ų69.641%0.41140%0.4SS..  trans-119.2157167.5-81.9-173.2-172.800108.8P25 R86 N137 A139P25-E55 HydrophobicContact CB-CB 4.03Å; P25-E55 HydrophobicContact CB-CG 3.88Å; P25-E55 HydrophobicContact CG-CB 4.02Å; P25-E55 HydrophobicContact CG-CG 3.6Å; P25-E55 WeakPolarHBondContact CG-OE1 3.42Å; P25-E55 WeakPolarHBondContact CG-OE2 3.46Å; E55-R86 VanDerWaalsContact CB-NH1 3.25Å; E55-R86 PolarHBondContact N-O 2.85Å; E55-R86 IonicContact OE2-CZ 3.88Å; E55-R86 IonicContact OE2-NH1 3.11Å; E55-R86 PolarHBondContact OE2-NH1 2.83Å; E55-R86 IonicContact OE2-NH2 3.63Å; E55-R86 PolarHBondContact OE2-NH2 2.91Å; E55-N137 PolarHBondContact O-ND2 2.65Å; E55-A139 VanDerWaalsContact C-CB 3.41Å
56E92.2Very high92.2Very high98 Ų9867.8 Ų67.846%0.45839%0.388SS..  trans-56.5146.4178-61.8-171.1138.800111.1T58 A139 G140 T141E56-T58 PolarHBondContact O-N 3.02Å; E56-A139 HydrophobicContact CG-CB 4.36Å; E56-G140 WeakPolarHBondContact OE1-CA 3.18Å; E56-T141 PolarHBondContact OE1-N 2.83Å
57P92.6Very high92.4Very high5 Ų568.4 Ų68.43%0.03238%0.376CS..  trans-57.5133.1173.2-22.233.2000110.5E83 A135 G142 P143P57-E83 WeakPolarHBondContact CA-OE2 3.23Å; P57-A135 HydrophobicContact CB-CB 4.22Å; P57-A135 HydrophobicContact CG-CB 4.23Å; P57-G142 WeakPolarHBondContact O-CA 3.41Å; P57-P143 WeakPolarHBondContact O-CD 3.43Å
58T92.9Very high92.7Very high78 Ų7865.8 Ų65.848%0.47936%0.361SS..  trans-100.4-11.3-17766.30000113.8E56 E83 P143E56-T58 PolarHBondContact O-N 3.02Å; T58-E83 WeakPolarHBondContact CA-OE1 2.97Å; T58-E83 WeakPolarHBondContact CB-OE1 3.37Å; T58-E83 PolarHBondContact N-OE1 2.89Å; T58-E83 VanDerWaalsContact N-OE1 3.13Å; T58-E83 PolarHBondContact N-OE2 3.13Å; T58-E83 PolarHBondContact OG1-OE1 2.52Å; T58-P143 WeakPolarHBondContact O-CG 3.31Å
59K94Very high93Very high103 Ų10364.7 Ų64.745%0.44835%0.352SS..SBendtrans-107.3137.6176.5-75.2179.9-174.6-177.30111.7P81 L82 E83K59-P81 HydrophobicContact CB-CB 3.7Å; K59-P81 WeakPolarHBondContact O-CB 3.47Å; K59-L82 WeakPolarHBondContact CD-O 3.08Å; K59-L82 PolarHBondContact NZ-O 2.75Å; K59-E83 WeakPolarHBondContact CG-OE1 3.37Å; K59-E83 PolarHBondContact N-OE1 2.94Å
60P95.5Very high93.3Very high56 Ų5661.6 Ų61.636%0.36433%0.334SS..PPolyproline II helixtrans-73.2155.3174.630.8-34.1000110.5A62 P143 S144P60-A62 PolarHBondContact O-N 3.02Å; P60-P143 HydrophobicContact CB-CG 4.21Å; P60-S144 WeakPolarHBondContact CB-O 3.46Å
61P95.9Very high93.8Very high5 Ų558.6 Ų58.63%0.03232%0.316CS..PPolyproline II helixtrans-51.7138.6164.5-2535.3000111.5W78 A79 Y92 V133 A135P61-W78 HydrophobicContact CB-CB 4.15Å; P61-W78 HydrophobicContact CB-CG 4.29Å; P61-A79 WeakPolarHBondContact CA-O 3.42Å; P61-Y92 HydrophobicContact CG-CD1 3.93Å; P61-Y92 HydrophobicContact CG-CE1 4.19Å; P61-V133 HydrophobicContact CB-CB 4.43Å; P61-V133 HydrophobicContact CB-CG1 4.37Å; P61-V133 WeakPolarHBondContact CD-O 3.05Å; P61-V133 HydrophobicContact CG-CB 4.23Å; P61-V133 HydrophobicContact CG-CG1 3.96Å; P61-A135 HydrophobicContact CG-CB 4.38Å
62A94.8Very high94.4Very high47 Ų4755.2 Ų55.239%0.38831%0.309SS..EExtended strand (participates in β ladder)trans-99.8170.2-177.700000111.3P60 I64 A79P60-A62 PolarHBondContact O-N 3.02Å; A62-I64 PolarHBondContact O-N 3.37Å; A62-A79 HydrophobicContact CB-CB 4.3Å; A62-A79 PolarHBondContact N-O 3.18Å; A62-A79 PolarHBondContact O-N 2.94Å
63S95.8Very high94.9Very high103 Ų10355.2 Ų55.272%0.7231%0.307SS*.EExtended strand (participates in β ladder)trans49.140.2170.8-51.70000114.2F65S63-F65 PolarHBondContact O-N 2.73Å
64I97.6Very high95.6Very high27 Ų2751.4 Ų51.414%0.13828%0.275CS..EExtended strand (participates in β ladder)trans-67132.2178.2-178.6173.7000109.9A62 V76 F77 V133 S145 V148A62-I64 PolarHBondContact O-N 3.37Å; I64-V76 HydrophobicContact CD1-CG2 4.47Å; I64-V76 HydrophobicContact CG1-CG2 4.28Å; I64-F77 CarbonylContact C-O 3.45Å; I64-F77 VanDerWaalsContact CA-O 3.29Å; I64-F77 WeakPolarHBondContact CA-O 3.39Å; I64-V133 HydrophobicContact CD1-CB 4.37Å; I64-V133 HydrophobicContact CD1-CG2 3.67Å; I64-V133 HydrophobicContact CG1-CG2 4.46Å; I64-S145 WeakPolarHBondContact CD1-OG 3.39Å; I64-V148 HydrophobicContact CB-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG2 3.76Å; I64-V148 HydrophobicContact CG1-CG1 3.91Å; I64-V148 HydrophobicContact CG1-CG2 3.82Å; I64-V148 HydrophobicContact CG2-CG1 3.56Å
65F97.6Very high96.1Very high121 Ų12151.5 Ų51.553%0.53128%0.276SS..EExtended strand (participates in β ladder)trans-147143.1177.1172.8-102.1000109.7S63 R67 V76 F77S63-F65 PolarHBondContact O-N 2.73Å; F65-R67 HydrophobicContact CE1-CB 3.92Å; F65-R67 HydrophobicContact CE1-CG 4.46Å; F65-R67 HydrophobicContact CZ-CB 4.19Å; F65-V76 WeakPolarHBondContact O-CA 3.34Å; F65-F77 HydrophobicContact CD1-CD2 4.3Å; F65-F77 PolarHBondContact N-O 3.18Å; F65-F77 PolarHBondContact O-N 3.23Å
66A98.1Very high96.5Very high10 Ų1047.3 Ų47.38%0.08326%0.256CS..EExtended strand (participates in β ladder)trans-130.3143.4177.500000110.7I74 E75 V76 L131 V148 V150A66-I74 HydrophobicContact CB-CG2 4.31Å; A66-E75 CarbonylContact C-O 3.56Å; A66-E75 WeakPolarHBondContact CA-O 3.42Å; A66-V76 HydrophobicContact CB-CB 4.26Å; A66-V76 HydrophobicContact CB-CG2 4.39Å; A66-L131 HydrophobicContact CB-CD1 4.34Å; A66-V148 HydrophobicContact CB-CG2 4.08Å; A66-V150 HydrophobicContact CB-CB 4.06Å; A66-V150 HydrophobicContact CB-CG1 3.8Å
67R97.9Very high96.8Very high121 Ų12145.8 Ų45.846%0.45725%0.248SC..EExtended strand (participates in β ladder)trans-133147.7176.166.8179.8-173.1147.6-3.5111.2F65 I74 E75 F77F65-R67 HydrophobicContact CE1-CB 3.92Å; F65-R67 HydrophobicContact CE1-CG 4.46Å; F65-R67 HydrophobicContact CZ-CB 4.19Å; R67-I74 WeakPolarHBondContact O-CA 3.47Å; R67-E75 HydrophobicContact CG-CB 4.16Å; R67-E75 IonicContact CZ-OE2 3.79Å; R67-E75 PolarHBondContact N-O 2.82Å; R67-E75 IonicContact NE-OE2 3.46Å; R67-E75 PolarHBondContact NE-OE2 2.59Å; R67-E75 IonicContact NH2-OE2 2.71Å; R67-E75 PolarHBondContact NH2-OE2 2.84Å; R67-E75 PolarHBondContact O-N 3.37Å; R67-F77 HydrophobicContact CG-CE2 4.22Å
68S98.1Very high97Very high20 Ų2046.1 Ų46.114%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-86122.1178-173.60000111S70 T151 T152 R153S68-S70 PolarHBondContact OG-O 3.19Å; S68-T151 WeakPolarHBondContact CB-O 3.38Å; S68-T151 PolarHBondContact OG-O 3.24Å; S68-T152 WeakPolarHBondContact OG-CA 3.49Å; S68-R153 PolarHBondContact O-NE 3.06Å; S68-R153 VanDerWaalsContact O-NE 3.11Å; S68-R153 PolarHBondContact O-NH2 2.87Å; S68-R153 VanDerWaalsContact O-NH2 3.16Å; S68-R153 PolarHBondContact OG-N 3.45Å
69L97.8Very high97.2Very high58 Ų5844.1 Ų44.130%0.30424%0.24SC..  trans-91.3-41.1178.6-64.6-177.5000111.7D73 E75 K119L69-D73 HydrophobicContact CB-CB 3.97Å; L69-D73 PolarHBondContact N-O 3.46Å; L69-E75 HydrophobicContact CD1-CB 3.86Å; L69-E75 HydrophobicContact CD2-CB 4.26Å; L69-E75 HydrophobicContact CG-CB 3.97Å; L69-K119 HydrophobicContact CD1-CD 4.17Å; L69-K119 HydrophobicContact CD1-CG 4.19Å
70S97.8Very high97.2Very high11 Ų1141.6 Ų41.68%0.07724%0.235CC..SBendtrans-149.5-169.4-179.1760000110.5S68 T72 D73 R153S68-S70 PolarHBondContact OG-O 3.19Å; S70-T72 PolarHBondContact O-N 3.27Å; S70-T72 PolarHBondContact OG-N 3.21Å; S70-T72 PolarHBondContact OG-OG1 3.16Å; S70-D73 PolarHBondContact N-O 2.9Å; S70-D73 VanDerWaalsContact OG-CB 3.26Å; S70-D73 WeakPolarHBondContact OG-CB 3.49Å; S70-D73 PolarHBondContact OG-N 2.75Å; S70-D73 PolarHBondContact OG-OD2 3.39Å; S70-R153 PolarHBondContact O-N 2.88Å; S70-R153 VanDerWaalsContact O-N 3.16Å
71A97.8Very high97Very high2 Ų239.4 Ų39.42%0.01722%0.221CC..SBendtrans-67.8-23.5170.100000112.7K124 G125 T152 R153 G234A71-K124 CarbonylContact O-C 3.53Å; A71-G125 WeakPolarHBondContact O-CA 3.32Å; A71-G125 PolarHBondContact O-N 2.59Å; A71-T152 WeakPolarHBondContact O-CB 3.28Å; A71-R153 WeakPolarHBondContact CA-O 3.36Å; A71-R153 WeakPolarHBondContact CB-O 3.48Å; A71-G234 VanDerWaalsContact CB-O 3.29Å; A71-G234 WeakPolarHBondContact CB-O 3.49Å; A71-G234 PolarHBondContact N-O 3.11Å
72T97.6Very high96.5Very high63 Ų6346.5 Ų46.539%0.38726%0.258SS..SBendtrans-116.6-5.1-172.958.60000113.4S70 T121 N122 L123S70-T72 PolarHBondContact O-N 3.27Å; S70-T72 PolarHBondContact OG-N 3.21Å; S70-T72 PolarHBondContact OG-OG1 3.16Å; T72-T121 CarbonylContact O-C 3.57Å; T72-T121 WeakPolarHBondContact O-CA 3.47Å; T72-N122 PolarHBondContact O-N 3.37Å; T72-N122 VanDerWaalsContact O-N 3.1Å; T72-L123 WeakPolarHBondContact CA-O 3.23Å; T72-L123 WeakPolarHBondContact CG2-O 3.39Å; T72-L123 WeakPolarHBondContact O-CB 3.43Å; T72-L123 WeakPolarHBondContact O-CG 3.26Å; T72-L123 PolarHBondContact O-N 2.98Å
73D98Very high95.8Very high27 Ų2746.8 Ų46.814%0.14425%0.251CS..  trans-129.7133.7-171.8-61.7-45.5000113.2L69 S70 K119 I120 T121L69-D73 HydrophobicContact CB-CB 3.97Å; L69-D73 PolarHBondContact N-O 3.46Å; S70-D73 PolarHBondContact N-O 2.9Å; S70-D73 VanDerWaalsContact OG-CB 3.26Å; S70-D73 WeakPolarHBondContact OG-CB 3.49Å; S70-D73 PolarHBondContact OG-N 2.75Å; S70-D73 PolarHBondContact OG-OD2 3.39Å; D73-K119 WeakPolarHBondContact OD1-CE 3.15Å; D73-K119 IonicContact OD1-NZ 2.84Å; D73-K119 VanDerWaalsContact OD2-CE 3.27Å; D73-K119 WeakPolarHBondContact OD2-CE 3.4Å; D73-K119 IonicContact OD2-NZ 2.91Å; D73-K119 PolarHBondContact OD2-NZ 3.39Å; D73-I120 VanDerWaalsContact CA-O 3.29Å; D73-I120 WeakPolarHBondContact CA-O 3.27Å; D73-T121 WeakPolarHBondContact OD1-CA 3.38Å; D73-T121 VanDerWaalsContact OD1-CB 3.29Å; D73-T121 WeakPolarHBondContact OD1-CB 3.46Å; D73-T121 VanDerWaalsContact OD1-CG2 3.23Å; D73-T121 WeakPolarHBondContact OD1-CG2 3.29Å
74I98.4Very high94.7Very high1 Ų150.4 Ų50.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-123.3146.7170.2-78.7162.9000108.8A66 R67 K119 I120 L123 Y129 L131 V150 T152A66-I74 HydrophobicContact CB-CG2 4.31Å; R67-I74 WeakPolarHBondContact O-CA 3.47Å; I74-K119 CarbonylContact O-C 3.46Å; I74-K119 WeakPolarHBondContact O-CA 3.39Å; I74-I120 PolarHBondContact N-O 3.35Å; I74-I120 PolarHBondContact O-N 2.98Å; I74-L123 HydrophobicContact CB-CD1 3.93Å; I74-L123 HydrophobicContact CD1-CD1 3.56Å; I74-L123 HydrophobicContact CG1-CD1 3.89Å; I74-Y129 HydrophobicContact CD1-CD2 3.95Å; I74-Y129 HydrophobicContact CD1-CG 4.25Å; I74-L131 HydrophobicContact CG2-CD2 4.25Å; I74-V150 HydrophobicContact CD1-CB 4.4Å; I74-V150 HydrophobicContact CD1-CG1 3.46Å; I74-V150 VanDerWaalsContact CD1-CG1 3.46Å; I74-V150 HydrophobicContact CD1-CG2 4.14Å; I74-V150 HydrophobicContact CG1-CG1 4.08Å; I74-V150 HydrophobicContact CG1-CG2 4.14Å; I74-V150 HydrophobicContact CG2-CG1 3.87Å; I74-T152 HydrophobicContact CD1-CG2 3.6Å; I74-T152 HydrophobicContact CG1-CG2 4.02Å
75E98.3Very high93.2Very high38 Ų3853.7 Ų53.718%0.17827%0.272CS..EExtended strand (participates in β ladder)trans-115.6131.2168.9-165.8177.5-151.300109.7A66 R67 L69 F77A66-E75 CarbonylContact C-O 3.56Å; A66-E75 WeakPolarHBondContact CA-O 3.42Å; R67-E75 HydrophobicContact CG-CB 4.16Å; R67-E75 IonicContact CZ-OE2 3.79Å; R67-E75 PolarHBondContact N-O 2.82Å; R67-E75 IonicContact NE-OE2 3.46Å; R67-E75 PolarHBondContact NE-OE2 2.59Å; R67-E75 IonicContact NH2-OE2 2.71Å; R67-E75 PolarHBondContact NH2-OE2 2.84Å; R67-E75 PolarHBondContact O-N 3.37Å; L69-E75 HydrophobicContact CD1-CB 3.86Å; L69-E75 HydrophobicContact CD2-CB 4.26Å; L69-E75 HydrophobicContact CG-CB 3.97Å; E75-F77 HydrophobicContact CB-CE2 4.06Å; E75-F77 HydrophobicContact CG-CD2 4.34Å; E75-F77 HydrophobicContact CG-CE1 4.4Å; E75-F77 HydrophobicContact CG-CE2 3.53Å; E75-F77 HydrophobicContact CG-CZ 3.59Å; E75-F77 WeakPolarHBondContact OE1-CZ 3.47Å; E75-F77 WeakPolarHBondContact OE2-CE2 3.28Å; E75-F77 WeakPolarHBondContact OE2-CZ 3.36Å
76V98.3Very high92.1Very high0 Ų050.9 Ų50.90%026%0.258CS..EExtended strand (participates in β ladder)trans-120.6140.4-18052.90000110I64 F65 A66 W78 V94 S117 T118 I120 L131 V133I64-V76 HydrophobicContact CD1-CG2 4.47Å; I64-V76 HydrophobicContact CG1-CG2 4.28Å; F65-V76 WeakPolarHBondContact O-CA 3.34Å; A66-V76 HydrophobicContact CB-CB 4.26Å; A66-V76 HydrophobicContact CB-CG2 4.39Å; V76-W78 HydrophobicContact CG1-CZ3 4.02Å; V76-W78 HydrophobicContact CG2-CE3 4.18Å; V76-W78 HydrophobicContact CG2-CZ3 4.34Å; V76-W78 WeakPolarHBondContact O-CZ3 3.35Å; V76-V94 HydrophobicContact CG1-CG1 4.07Å; V76-S117 CarbonylContact O-C 3.54Å; V76-S117 WeakPolarHBondContact O-CA 3.17Å; V76-S117 WeakPolarHBondContact O-CB 3.49Å; V76-T118 HydrophobicContact CG1-CG2 3.64Å; V76-T118 WeakPolarHBondContact CG1-O 3.45Å; V76-T118 PolarHBondContact N-O 2.95Å; V76-T118 PolarHBondContact O-N 2.79Å; V76-I120 HydrophobicContact CG1-CD1 4.18Å; V76-I120 HydrophobicContact CG1-CG1 4.35Å; V76-L131 HydrophobicContact CB-CD2 4.07Å; V76-L131 HydrophobicContact CG1-CD2 4.24Å; V76-L131 HydrophobicContact CG2-CD2 4.33Å; V76-V133 HydrophobicContact CG2-CG2 4.41Å
77F98.3Very high91.2Very high66 Ų6651.5 Ų51.529%0.28927%0.265SS..EExtended strand (participates in β ladder)trans-128.2149.9-176.2-60.5-92.7000109.6I64 F65 R67 E75 T116 S117I64-F77 CarbonylContact C-O 3.45Å; I64-F77 VanDerWaalsContact CA-O 3.29Å; I64-F77 WeakPolarHBondContact CA-O 3.39Å; F65-F77 HydrophobicContact CD1-CD2 4.3Å; F65-F77 PolarHBondContact N-O 3.18Å; F65-F77 PolarHBondContact O-N 3.23Å; R67-F77 HydrophobicContact CG-CE2 4.22Å; E75-F77 HydrophobicContact CB-CE2 4.06Å; E75-F77 HydrophobicContact CG-CD2 4.34Å; E75-F77 HydrophobicContact CG-CE1 4.4Å; E75-F77 HydrophobicContact CG-CE2 3.53Å; E75-F77 HydrophobicContact CG-CZ 3.59Å; E75-F77 WeakPolarHBondContact OE1-CZ 3.47Å; E75-F77 WeakPolarHBondContact OE2-CE2 3.28Å; E75-F77 WeakPolarHBondContact OE2-CZ 3.36Å; F77-T116 WeakPolarHBondContact CA-O 3.37Å; F77-S117 VanDerWaalsContact CD1-CB 3.42Å
78W97.8Very high90.6Very high11 Ų1154.9 Ų54.94%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-151.3173.6173.756.594.6000110.3P61 V76 Y92 V94 T111 Q115 T116 T118 V133P61-W78 HydrophobicContact CB-CB 4.15Å; P61-W78 HydrophobicContact CB-CG 4.29Å; V76-W78 HydrophobicContact CG1-CZ3 4.02Å; V76-W78 HydrophobicContact CG2-CE3 4.18Å; V76-W78 HydrophobicContact CG2-CZ3 4.34Å; V76-W78 WeakPolarHBondContact O-CZ3 3.35Å; W78-Y92 AromaticContact CD1-CD1 3.75Å; W78-Y92 AromaticContact CD1-CE1 3.77Å; W78-Y92 AromaticContact CE2-CD2 3.74Å; W78-Y92 AromaticContact CE2-CG 3.61Å; W78-Y92 AromaticContact CZ2-CD2 3.76Å; W78-Y92 HydrophobicContact CZ2-CD2 3.76Å; W78-Y92 AromaticContact CZ2-CG 3.79Å; W78-Y92 HydrophobicContact CZ2-CG 3.79Å; W78-Y92 AromaticContact NE1-CD1 3.2Å; W78-Y92 AromaticContact NE1-CD2 3.13Å; W78-Y92 AromaticContact NE1-CE1 3.48Å; W78-Y92 AromaticContact NE1-CE2 3.4Å; W78-Y92 AromaticContact NE1-CG 3.03Å; W78-Y92 AromaticContact NE1-CZ 3.58Å; W78-V94 HydrophobicContact CH2-CG2 3.75Å; W78-V94 HydrophobicContact CZ3-CG2 3.81Å; W78-T111 HydrophobicContact CH2-CG2 3.74Å; W78-T111 HydrophobicContact CZ2-CG2 3.94Å; W78-Q115 VanDerWaalsContact CZ2-O 3.32Å; W78-Q115 WeakPolarHBondContact CZ2-O 3.48Å; W78-T116 PolarHBondContact N-O 2.93Å; W78-T116 VanDerWaalsContact O-CB 3.25Å; W78-T116 WeakPolarHBondContact O-CB 3.33Å; W78-T118 HydrophobicContact CH2-CG2 3.92Å; W78-T118 HydrophobicContact CZ3-CG2 4.02Å; W78-V133 HydrophobicContact CD2-CG1 3.92Å; W78-V133 HydrophobicContact CD2-CG2 4.26Å; W78-V133 HydrophobicContact CE3-CG1 4.3Å; W78-V133 HydrophobicContact CE3-CG2 3.93Å; W78-V133 HydrophobicContact CG-CG1 4.18Å; W78-V133 HydrophobicContact CZ2-CG1 4.45Å; W78-V133 HydrophobicContact CZ3-CG2 4.42Å
79A96.3Very high90.3Very high36 Ų3655.7 Ų55.730%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-111.5142.6169.100000109.7P61 A62P61-A79 WeakPolarHBondContact CA-O 3.42Å; A62-A79 HydrophobicContact CB-CB 4.3Å; A62-A79 PolarHBondContact N-O 3.18Å; A62-A79 PolarHBondContact O-N 2.94Å
80S93.6Very high90.1Very high50 Ų5057.2 Ų57.235%0.3529%0.286SS..  trans-58.9138.1174.5-174.10000110.7L82 I89 Y92S80-L82 PolarHBondContact O-N 3.28Å; S80-I89 WeakPolarHBondContact OG-CD1 3.17Å; S80-Y92 VanDerWaalsContact CA-OH 3.31Å; S80-Y92 WeakPolarHBondContact CA-OH 3.38Å; S80-Y92 WeakPolarHBondContact CB-OH 3.26Å; S80-Y92 PolarHBondContact OG-OH 3.22Å
81P91.2Very high90Very high10 Ų1056.7 Ų56.77%0.06528%0.282CS..  trans-60.4136.2171.620-25.6000110.6K59 E83 I89 A135K59-P81 HydrophobicContact CB-CB 3.7Å; K59-P81 WeakPolarHBondContact O-CB 3.47Å; P81-E83 PolarHBondContact O-N 2.99Å; P81-I89 HydrophobicContact CG-CD1 3.61Å; P81-A135 HydrophobicContact CG-CB 3.97Å
82L85.1Confident90Very high154 Ų15456.8 Ų56.881%0.80628%0.282SS*.  trans-8389.5174.8-68.4173.2000109.4K59 S80K59-L82 WeakPolarHBondContact CD-O 3.08Å; K59-L82 PolarHBondContact NZ-O 2.75Å; S80-L82 PolarHBondContact O-N 3.28Å
83E80Confident90.1Very high54 Ų5454.4 Ų54.425%0.25227%0.266SS..  trans-133.4139.9-179.1-152165.1-106.700111P57 T58 K59 P81 R86P57-E83 WeakPolarHBondContact CA-OE2 3.23Å; T58-E83 WeakPolarHBondContact CA-OE1 2.97Å; T58-E83 WeakPolarHBondContact CB-OE1 3.37Å; T58-E83 PolarHBondContact N-OE1 2.89Å; T58-E83 VanDerWaalsContact N-OE1 3.13Å; T58-E83 PolarHBondContact N-OE2 3.13Å; T58-E83 PolarHBondContact OG1-OE1 2.52Å; K59-E83 WeakPolarHBondContact CG-OE1 3.37Å; K59-E83 PolarHBondContact N-OE1 2.94Å; P81-E83 PolarHBondContact O-N 2.99Å; E83-R86 WeakPolarHBondContact OE2-CD 3.46Å
84K73.4Confident90.1Very high179 Ų17953.1 Ų53.178%0.77826%0.259SS*.  trans-117.2146-179.1-64.5-175.2-180-177.90109.1
85N66.7Low90Very high95 Ų9554.3 Ų54.351%0.50827%0.265SS..SBendtrans63.238.5167.7-46.3-36.4000115.4P25P25-N85 CarbonylContact C-O 3.58Å
86R74.1Confident90Very high63 Ų6353.6 Ų53.624%0.23826%0.26CS..SBendtrans-127.48.7174.4-73.3-177.9159.9-78-18.6114.2E55 E83 N137E55-R86 VanDerWaalsContact CB-NH1 3.25Å; E55-R86 PolarHBondContact N-O 2.85Å; E55-R86 IonicContact OE2-CZ 3.88Å; E55-R86 IonicContact OE2-NH1 3.11Å; E55-R86 PolarHBondContact OE2-NH1 2.83Å; E55-R86 IonicContact OE2-NH2 3.63Å; E55-R86 PolarHBondContact OE2-NH2 2.91Å; E83-R86 WeakPolarHBondContact OE2-CD 3.46Å; R86-N137 PolarHBondContact O-ND2 2.81Å
87G78.5Confident90Very high22 Ų2254.7 Ų54.723%0.22726%0.264CS..  trans103.9169.1-172.200000112F26 E54F26-G87 VanDerWaalsContact CB-N 3.33Å; E54-G87 WeakPolarHBondContact OE1-CA 3.33Å
88R86.4Confident90Very high193 Ų19354.6 Ų54.673%0.72826%0.262SS*.  trans-88.3129.1179.7-179.1177.6175.8170-0109.3E54 Q90 N137E54-R88 PolarHBondContact OE1-N 2.86Å; R88-Q90 PolarHBondContact O-N 3.42Å; R88-N137 WeakPolarHBondContact O-CB 3.49Å
89I91.8Very high89.9Confident37 Ų3759.5 Ų59.519%0.1929%0.286CS..  trans-59.6123.5170-63.2172.4000108.5S80 P81 G91 Y92 A135S80-I89 WeakPolarHBondContact OG-CD1 3.17Å; P81-I89 HydrophobicContact CG-CD1 3.61Å; I89-G91 WeakPolarHBondContact CG2-O 3.26Å; I89-Y92 HydrophobicContact CG2-CE1 4.22Å; I89-Y92 HydrophobicContact CG2-CE2 4.31Å; I89-A135 HydrophobicContact CD1-CB 4.29Å; I89-A135 HydrophobicContact CG2-CB 4.33Å
90Q93.7Very high89.9Confident90 Ų9065.1 Ų65.142%0.42131%0.306SS..  trans-92.9-18.5179.9-67.4-172.4-4.100112.3R88 G113 Y136R88-Q90 PolarHBondContact O-N 3.42Å; Q90-G113 WeakPolarHBondContact O-CA 3.25Å; Q90-G113 PolarHBondContact O-N 2.92Å; Q90-Y136 HydrophobicContact CB-CD2 4.15Å; Q90-Y136 HydrophobicContact CB-CE2 3.78Å; Q90-Y136 PolarHBondContact N-O 2.95Å
91G95.9Very high90Very high0 Ų065.5 Ų65.50%030%0.304CS..EExtended strand (participates in β ladder)trans166.8-163174.400000112.1I89 T111 Y136I89-G91 WeakPolarHBondContact CG2-O 3.26Å; G91-T111 WeakPolarHBondContact CA-O 3.14Å; G91-Y136 PolarHBondContact N-O 2.98Å; G91-Y136 WeakPolarHBondContact O-CD1 3.25Å; G91-Y136 PolarHBondContact O-N 2.96Å
92Y97.7Very high90.1Very high4 Ų472 Ų722%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-132.2144.7-178.7-54.8-91.4000111.7P61 W78 S80 I89 R110 T111 Q115 T116 V133 K134 A135P61-Y92 HydrophobicContact CG-CD1 3.93Å; P61-Y92 HydrophobicContact CG-CE1 4.19Å; W78-Y92 AromaticContact CD1-CD1 3.75Å; W78-Y92 AromaticContact CD1-CE1 3.77Å; W78-Y92 AromaticContact CE2-CD2 3.74Å; W78-Y92 AromaticContact CE2-CG 3.61Å; W78-Y92 AromaticContact CZ2-CD2 3.76Å; W78-Y92 HydrophobicContact CZ2-CD2 3.76Å; W78-Y92 AromaticContact CZ2-CG 3.79Å; W78-Y92 HydrophobicContact CZ2-CG 3.79Å; W78-Y92 AromaticContact NE1-CD1 3.2Å; W78-Y92 AromaticContact NE1-CD2 3.13Å; W78-Y92 AromaticContact NE1-CE1 3.48Å; W78-Y92 AromaticContact NE1-CE2 3.4Å; W78-Y92 AromaticContact NE1-CG 3.03Å; W78-Y92 AromaticContact NE1-CZ 3.58Å; S80-Y92 VanDerWaalsContact CA-OH 3.31Å; S80-Y92 WeakPolarHBondContact CA-OH 3.38Å; S80-Y92 WeakPolarHBondContact CB-OH 3.26Å; S80-Y92 PolarHBondContact OG-OH 3.22Å; I89-Y92 HydrophobicContact CG2-CE1 4.22Å; I89-Y92 HydrophobicContact CG2-CE2 4.31Å; Y92-R110 CarbonylContact O-C 3.56Å; Y92-R110 VanDerWaalsContact O-CA 3.26Å; Y92-R110 WeakPolarHBondContact O-CA 3.37Å; Y92-T111 PolarHBondContact N-OG1 3Å; Y92-T111 PolarHBondContact O-N 2.76Å; Y92-Q115 VanDerWaalsContact CD2-O 3.28Å; Y92-Q115 WeakPolarHBondContact CD2-O 3.31Å; Y92-T116 HydrophobicContact CE2-CG2 4.18Å; Y92-V133 HydrophobicContact CD1-CG1 4.24Å; Y92-V133 HydrophobicContact CG-CG1 4.36Å; Y92-K134 CarbonylContact C-O 3.54Å; Y92-K134 WeakPolarHBondContact CA-O 3.35Å; Y92-K134 WeakPolarHBondContact CB-O 3.07Å; Y92-A135 HydrophobicContact CD1-CB 3.94Å; Y92-A135 HydrophobicContact CE1-CB 3.9Å
93E97.9Very high90.5Very high12 Ų1269.1 Ų69.16%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-105.5114.1171.4-177.8172.5112.500108.7K108 I109 R110 V133 K134E93-K108 HydrophobicContact CG-CB 4.37Å; E93-K108 HydrophobicContact CG-CD 4.44Å; E93-K108 WeakPolarHBondContact OE1-CD 3.14Å; E93-K108 WeakPolarHBondContact OE1-CE 3.32Å; E93-K108 IonicContact OE1-NZ 2.84Å; E93-K108 PolarHBondContact OE1-NZ 3.42Å; E93-I109 CarbonylContact C-O 3.54Å; E93-I109 WeakPolarHBondContact CA-O 3.38Å; E93-R110 HydrophobicContact CB-CG 4.2Å; E93-R110 HydrophobicContact CG-CG 4.26Å; E93-R110 IonicContact OE2-CZ 2.82Å; E93-R110 IonicContact OE2-NE 3.33Å; E93-R110 PolarHBondContact OE2-NE 3Å; E93-R110 IonicContact OE2-NH2 2.59Å; E93-R110 PolarHBondContact OE2-NH2 2.86Å; E93-V133 CarbonylContact O-C 3.57Å; E93-V133 WeakPolarHBondContact O-CA 3.32Å; E93-K134 PolarHBondContact N-O 2.91Å; E93-K134 PolarHBondContact O-N 2.92Å
94V98.1Very high91.1Very high0 Ų074.6 Ų74.60%034%0.339CS..EExtended strand (participates in β ladder)trans-93.2118.6173.6-174.90000108.3V76 W78 K108 I109 T118 I120 V133V76-V94 HydrophobicContact CG1-CG1 4.07Å; W78-V94 HydrophobicContact CH2-CG2 3.75Å; W78-V94 HydrophobicContact CZ3-CG2 3.81Å; V94-K108 CarbonylContact O-C 3.55Å; V94-K108 VanDerWaalsContact O-CA 3.29Å; V94-K108 WeakPolarHBondContact O-CA 3.3Å; V94-I109 PolarHBondContact N-O 2.8Å; V94-I109 PolarHBondContact O-N 3.03Å; V94-T118 HydrophobicContact CB-CG2 4.39Å; V94-T118 HydrophobicContact CG2-CG2 3.67Å; V94-I120 HydrophobicContact CG1-CD1 4.11Å; V94-V133 HydrophobicContact CB-CG2 4.44Å; V94-V133 HydrophobicContact CG1-CG2 4.24Å; V94-V133 HydrophobicContact CG2-CG1 4.25Å; V94-V133 HydrophobicContact CG2-CG2 3.97Å
95K97.6Very high92.1Very high27 Ų2771.8 Ų71.812%0.11733%0.332CS..EExtended strand (participates in β ladder)trans-98.1140.5168.857.8168.3-179.6177.60110.1W97 E103 A106 R107 L131 A132 S144K95-W97 HydrophobicContact CD-CZ3 3.95Å; K95-W97 HydrophobicContact CG-CZ3 4.06Å; K95-E103 IonicContact NZ-OE1 2.83Å; K95-E103 PolarHBondContact NZ-OE1 2.85Å; K95-A106 HydrophobicContact CB-CB 4.29Å; K95-R107 CarbonylContact C-O 3.56Å; K95-R107 VanDerWaalsContact CA-O 3.3Å; K95-R107 WeakPolarHBondContact CA-O 3.41Å; K95-L131 VanDerWaalsContact O-CA 3.29Å; K95-L131 WeakPolarHBondContact O-CA 3.47Å; K95-A132 HydrophobicContact CD-CB 4.33Å; K95-A132 HydrophobicContact CG-CB 4.07Å; K95-A132 VanDerWaalsContact CG-O 3.28Å; K95-A132 WeakPolarHBondContact CG-O 3.36Å; K95-A132 PolarHBondContact N-O 2.91Å; K95-A132 PolarHBondContact O-N 3.2Å; K95-S144 VanDerWaalsContact CE-OG 3.32Å; K95-S144 WeakPolarHBondContact CE-OG 3.48Å; K95-S144 PolarHBondContact NZ-OG 2.9Å
96Y98.1Very high93.6Very high22 Ų2268.2 Ų68.29%0.08632%0.316CS..EExtended strand (participates in β ladder)trans-148.1144.2177.367.7-77.4000112.3A106 R107 I109 I120 L123 Y129 H130Y96-A106 CarbonylContact O-C 3.54Å; Y96-A106 WeakPolarHBondContact O-CA 3.44Å; Y96-R107 HydrophobicContact CD1-CB 4.06Å; Y96-R107 WeakPolarHBondContact CD1-O 3.29Å; Y96-R107 HydrophobicContact CD2-CB 4.44Å; Y96-R107 HydrophobicContact CE1-CB 3.44Å; Y96-R107 VanDerWaalsContact CE1-CB 3.44Å; Y96-R107 HydrophobicContact CE2-CB 3.9Å; Y96-R107 HydrophobicContact CE2-CG 4.49Å; Y96-R107 PolarHBondContact N-O 2.81Å; Y96-R107 PolarHBondContact O-N 2.82Å; Y96-R107 WeakPolarHBondContact OH-CD 3.41Å; Y96-I109 HydrophobicContact CD1-CD1 4.39Å; Y96-I109 HydrophobicContact CE1-CD1 3.62Å; Y96-I109 HydrophobicContact CE1-CG1 3.97Å; Y96-I120 HydrophobicContact CD1-CD1 3.93Å; Y96-I120 HydrophobicContact CD1-CG2 4.29Å; Y96-I120 HydrophobicContact CD2-CG2 3.98Å; Y96-I120 HydrophobicContact CE1-CD1 4.47Å; Y96-I120 HydrophobicContact CE1-CG2 3.96Å; Y96-I120 HydrophobicContact CE2-CG2 3.6Å; Y96-I120 HydrophobicContact CG-CD1 3.95Å; Y96-I120 HydrophobicContact CG-CG2 4.3Å; Y96-L123 HydrophobicContact CD2-CD2 4.12Å; Y96-L123 HydrophobicContact CE2-CD2 3.64Å; Y96-Y129 HydrophobicContact CD2-CD1 4.3Å; Y96-H130 WeakPolarHBondContact CA-O 3.43Å
97W97.9Very high94.7Very high23 Ų2372.6 Ų72.69%0.08733%0.333CS..EExtended strand (participates in β ladder)trans-150156.5179.263.1105.5000110.4K95 E103 A106 Y129 H130 T147K95-W97 HydrophobicContact CD-CZ3 3.95Å; K95-W97 HydrophobicContact CG-CZ3 4.06Å; W97-E103 HydrophobicContact CD2-CB 4.29Å; W97-E103 HydrophobicContact CD2-CG 4.19Å; W97-E103 HydrophobicContact CE3-CG 4.2Å; W97-E103 HydrophobicContact CH2-CG 3.9Å; W97-E103 HydrophobicContact CZ2-CB 4.09Å; W97-E103 HydrophobicContact CZ2-CG 3.83Å; W97-E103 HydrophobicContact CZ3-CG 4.09Å; W97-A106 HydrophobicContact CB-CB 4.03Å; W97-A106 HydrophobicContact CD2-CB 4.28Å; W97-A106 HydrophobicContact CE3-CB 3.76Å; W97-A106 HydrophobicContact CG-CB 4.43Å; W97-Y129 WeakPolarHBondContact O-CA 3.29Å; W97-H130 AromaticContact CD1-CD2 3.96Å; W97-H130 HydrophobicContact CD2-CB 3.79Å; W97-H130 AromaticContact CE2-CG 3.99Å; W97-H130 HydrophobicContact CE3-CB 4.22Å; W97-H130 HydrophobicContact CG-CB 4.37Å; W97-H130 HydrophobicContact CH2-CB 3.9Å; W97-H130 HydrophobicContact CZ2-CB 3.45Å; W97-H130 VanDerWaalsContact CZ2-CB 3.45Å; W97-H130 HydrophobicContact CZ3-CB 4.25Å; W97-H130 PolarHBondContact N-O 3.17Å; W97-H130 AromaticContact NE1-CD2 3.46Å; W97-H130 PolarHBondContact NE1-CD2 3.29Å; W97-H130 AromaticContact NE1-CG 3.91Å; W97-H130 PolarHBondContact O-N 3.16Å; W97-T147 HydrophobicContact CH2-CG2 3.9Å; W97-T147 HydrophobicContact CZ2-CG2 4.15Å
98R97.7Very high95.6Very high64 Ų6477.9 Ų77.924%0.24235%0.349CS..EExtended strand (participates in β ladder)trans-74.5154.1173.7-63.6179.6-62.5153.12.8109.5E100 D101 L128 Y129R98-E100 IonicContact NH1-OE2 3.54Å; R98-E100 PolarHBondContact O-N 2.94Å; R98-E100 VanDerWaalsContact O-N 3.13Å; R98-D101 HydrophobicContact CB-CB 4.45Å; R98-D101 WeakPolarHBondContact CB-OD2 3.42Å; R98-D101 IonicContact CZ-OD1 3.69Å; R98-D101 IonicContact CZ-OD2 3.62Å; R98-D101 IonicContact NE-OD1 2.68Å; R98-D101 IonicContact NE-OD2 3.74Å; R98-D101 PolarHBondContact NE-OD2 2.79Å; R98-D101 IonicContact NH2-OD1 3.86Å; R98-D101 PolarHBondContact NH2-OD1 3.48Å; R98-D101 IonicContact NH2-OD2 2.81Å; R98-D101 PolarHBondContact NH2-OD2 2.86Å; R98-D101 PolarHBondContact O-N 3.01Å; R98-L128 WeakPolarHBondContact CA-O 3.38Å; R98-Y129 HydrophobicContact CB-CE1 4.42Å; R98-Y129 HydrophobicContact CG-CD1 3.92Å; R98-Y129 HydrophobicContact CG-CE1 3.3Å; R98-Y129 HydrophobicContact CG-CE2 4.33Å
99H97Very high96.1Very high115 Ų11570.7 Ų70.753%0.53233%0.325SS..THydrogen-bonded Turntrans-54.4-32.3175.7-175.184.5000113.6L128 H130H99-L128 HydrophobicContact CB-CB 3.92Å; H99-L128 HydrophobicContact CB-CD2 3.95Å; H99-L128 HydrophobicContact CB-CG 4.02Å; H99-L128 PolarHBondContact N-O 2.97Å; H99-H130 AromaticContact CG-NE2 3.78Å; H99-H130 AromaticContact ND1-CE1 3.58Å; H99-H130 AromaticContact ND1-NE2 3.06Å; H99-H130 PolarHBondContact ND1-NE2 3.18Å
100E95.6Very high96.3Very high154 Ų15476 Ų7672%0.7234%0.343SS*.THydrogen-bonded Turntrans-79.1-18.7178.5-60.2171.1172.300113.4R98R98-E100 IonicContact NH1-OE2 3.54Å; R98-E100 PolarHBondContact O-N 2.94Å; R98-E100 VanDerWaalsContact O-N 3.13Å
101D95.8Very high96.4Very high58 Ų5871.9 Ų71.931%0.3132%0.324SS..SBendtrans-93151.7-176.7-60.1-36.7000110.4R98R98-D101 HydrophobicContact CB-CB 4.45Å; R98-D101 WeakPolarHBondContact CB-OD2 3.42Å; R98-D101 IonicContact CZ-OD1 3.69Å; R98-D101 IonicContact CZ-OD2 3.62Å; R98-D101 IonicContact NE-OD1 2.68Å; R98-D101 IonicContact NE-OD2 3.74Å; R98-D101 PolarHBondContact NE-OD2 2.79Å; R98-D101 IonicContact NH2-OD1 3.86Å; R98-D101 PolarHBondContact NH2-OD1 3.48Å; R98-D101 IonicContact NH2-OD2 2.81Å; R98-D101 PolarHBondContact NH2-OD2 2.86Å; R98-D101 PolarHBondContact O-N 3.01Å
102K93.3Very high96.3Very high145 Ų14577.3 Ų77.363%0.6336%0.357SS*.  trans-71.8143.7170.1-66.2-174.2178.5-176.10110.8E104 N105K102-E104 PolarHBondContact O-N 3.47Å; K102-N105 PolarHBondContact O-N 2.89Å
103E93.4Very high96Very high94 Ų9478.3 Ų78.344%0.43937%0.368SS..G310 helixtrans-58.2-29.9177.2-177.2177.9165.700113K95 W97 N105 A106K95-E103 IonicContact NZ-OE1 2.83Å; K95-E103 PolarHBondContact NZ-OE1 2.85Å; W97-E103 HydrophobicContact CD2-CB 4.29Å; W97-E103 HydrophobicContact CD2-CG 4.19Å; W97-E103 HydrophobicContact CE3-CG 4.2Å; W97-E103 HydrophobicContact CH2-CG 3.9Å; W97-E103 HydrophobicContact CZ2-CB 4.09Å; W97-E103 HydrophobicContact CZ2-CG 3.83Å; W97-E103 HydrophobicContact CZ3-CG 4.09Å; E103-N105 PolarHBondContact O-N 2.92Å; E103-N105 VanDerWaalsContact O-N 3.16Å; E103-A106 WeakPolarHBondContact O-CB 3.33Å; E103-A106 PolarHBondContact O-N 2.84Å
104E93.6Very high95.6Very high169 Ų16984.5 Ų84.579%0.7940%0.401SS*.G310 helixtrans-57.5-28.4175.1-65.8166-168.800112.8K102 A106K102-E104 PolarHBondContact O-N 3.47Å; E104-A106 VanDerWaalsContact C-N 3.31Å
105N94.2Very high95.5Very high120 Ų12089 Ų8964%0.64242%0.422SS*.G310 helixtrans-93.112.2177.6-63.4-35.1000112.7K102 E103 R107K102-N105 PolarHBondContact O-N 2.89Å; E103-N105 PolarHBondContact O-N 2.92Å; E103-N105 VanDerWaalsContact O-N 3.16Å; N105-R107 PolarHBondContact O-N 3.09Å
106A96.5Very high95.4Very high20 Ų2090.2 Ų90.217%0.16543%0.432CS..  trans-60.4134.2-179.700000111.5K95 Y96 W97 E103 E104K95-A106 HydrophobicContact CB-CB 4.29Å; Y96-A106 CarbonylContact O-C 3.54Å; Y96-A106 WeakPolarHBondContact O-CA 3.44Å; W97-A106 HydrophobicContact CB-CB 4.03Å; W97-A106 HydrophobicContact CD2-CB 4.28Å; W97-A106 HydrophobicContact CE3-CB 3.76Å; W97-A106 HydrophobicContact CG-CB 4.43Å; E103-A106 WeakPolarHBondContact O-CB 3.33Å; E103-A106 PolarHBondContact O-N 2.84Å; E104-A106 VanDerWaalsContact C-N 3.31Å
107R97.5Very high95.4Very high156 Ų15690.7 Ų90.759%0.58944%0.439SS*.EExtended strand (participates in β ladder)trans-76.8155170.8-65.7-179.1-175.3-176.12109.3K95 Y96 N105K95-R107 CarbonylContact C-O 3.56Å; K95-R107 VanDerWaalsContact CA-O 3.3Å; K95-R107 WeakPolarHBondContact CA-O 3.41Å; Y96-R107 HydrophobicContact CD1-CB 4.06Å; Y96-R107 WeakPolarHBondContact CD1-O 3.29Å; Y96-R107 HydrophobicContact CD2-CB 4.44Å; Y96-R107 HydrophobicContact CE1-CB 3.44Å; Y96-R107 VanDerWaalsContact CE1-CB 3.44Å; Y96-R107 HydrophobicContact CE2-CB 3.9Å; Y96-R107 HydrophobicContact CE2-CG 4.49Å; Y96-R107 PolarHBondContact N-O 2.81Å; Y96-R107 PolarHBondContact O-N 2.82Å; Y96-R107 WeakPolarHBondContact OH-CD 3.41Å; N105-R107 PolarHBondContact O-N 3.09Å
108K97.2Very high95.4Very high132 Ų13290.6 Ų90.657%0.57444%0.441SS*.EExtended strand (participates in β ladder)trans-130.2138.2-174.9-63.6176.3172.8-153.30111.3E93 V94E93-K108 HydrophobicContact CG-CB 4.37Å; E93-K108 HydrophobicContact CG-CD 4.44Å; E93-K108 WeakPolarHBondContact OE1-CD 3.14Å; E93-K108 WeakPolarHBondContact OE1-CE 3.32Å; E93-K108 IonicContact OE1-NZ 2.84Å; E93-K108 PolarHBondContact OE1-NZ 3.42Å; V94-K108 CarbonylContact O-C 3.55Å; V94-K108 VanDerWaalsContact O-CA 3.29Å; V94-K108 WeakPolarHBondContact O-CA 3.3Å
109I97.1Very high95.4Very high43 Ų4392.4 Ų92.422%0.22145%0.45CS..EExtended strand (participates in β ladder)trans-127.5135.9172.5-67.8162.1000107.6E93 V94 Y96 I120E93-I109 CarbonylContact C-O 3.54Å; E93-I109 WeakPolarHBondContact CA-O 3.38Å; V94-I109 PolarHBondContact N-O 2.8Å; V94-I109 PolarHBondContact O-N 3.03Å; Y96-I109 HydrophobicContact CD1-CD1 4.39Å; Y96-I109 HydrophobicContact CE1-CD1 3.62Å; Y96-I109 HydrophobicContact CE1-CG1 3.97Å; I109-I120 HydrophobicContact CD1-CB 4.24Å; I109-I120 HydrophobicContact CD1-CG1 3.9Å; I109-I120 HydrophobicContact CD1-CG2 3.92Å
110R96.6Very high95.4Very high148 Ų14887 Ų8756%0.55843%0.425SS*.EExtended strand (participates in β ladder)trans-108.6133.6175.1-71.4-173.8175.6-174-2.6110.9Y92 E93 Y136Y92-R110 CarbonylContact O-C 3.56Å; Y92-R110 VanDerWaalsContact O-CA 3.26Å; Y92-R110 WeakPolarHBondContact O-CA 3.37Å; E93-R110 HydrophobicContact CB-CG 4.2Å; E93-R110 HydrophobicContact CG-CG 4.26Å; E93-R110 IonicContact OE2-CZ 2.82Å; E93-R110 IonicContact OE2-NE 3.33Å; E93-R110 PolarHBondContact OE2-NE 3Å; E93-R110 IonicContact OE2-NH2 2.59Å; E93-R110 PolarHBondContact OE2-NH2 2.86Å; R110-Y136 HydrophobicContact CB-CE1 4.41Å; R110-Y136 HydrophobicContact CG-CE1 4.38Å
111T96.4Very high95.5Very high4 Ų482.5 Ų82.53%0.02541%0.408CS..  trans-94.9163.2165.3700000110.2W78 G91 Y92 Q115 T118 Y136W78-T111 HydrophobicContact CH2-CG2 3.74Å; W78-T111 HydrophobicContact CZ2-CG2 3.94Å; G91-T111 WeakPolarHBondContact CA-O 3.14Å; Y92-T111 PolarHBondContact N-OG1 3Å; Y92-T111 PolarHBondContact O-N 2.76Å; T111-Q115 PolarHBondContact OG1-O 2.79Å; T111-T118 HydrophobicContact CG2-CG2 4.35Å; T111-Y136 PolarHBondContact O-OH 2.8Å
112V94Very high95.6Very high114 Ų11486 Ų8669%0.69143%0.427SS*.  trans-121.5143.8180-1780000109.6
113G91.1Very high95.8Very high24 Ų2479.7 Ų79.725%0.24740%0.4CS..THydrogen-bonded Turntrans69.5-136.9178.900000112.8Q90 Q115Q90-G113 WeakPolarHBondContact O-CA 3.25Å; Q90-G113 PolarHBondContact O-N 2.92Å; G113-Q115 VanDerWaalsContact C-N 3.33Å
114N89.8Confident95.9Very high142 Ų14281.2 Ų81.276%0.75941%0.405SS*.THydrogen-bonded Turntrans-93.916.7-176.864.9-21.9000113.1T116N114-T116 WeakPolarHBondContact O-CG2 3.18Å; N114-T116 PolarHBondContact O-N 3.05Å
115Q94.6Very high96.1Very high94 Ų9474.1 Ų74.144%0.43938%0.378SS..  trans-69.8113.6179.6-171.7-178.214.500110.1W78 Y92 T111 G113 S117W78-Q115 VanDerWaalsContact CZ2-O 3.32Å; W78-Q115 WeakPolarHBondContact CZ2-O 3.48Å; Y92-Q115 VanDerWaalsContact CD2-O 3.28Å; Y92-Q115 WeakPolarHBondContact CD2-O 3.31Å; T111-Q115 PolarHBondContact OG1-O 2.79Å; G113-Q115 VanDerWaalsContact C-N 3.33Å; Q115-S117 VanDerWaalsContact CG-O 3.26Å; Q115-S117 WeakPolarHBondContact CG-O 3.31Å; Q115-S117 PolarHBondContact NE2-O 2.8Å
116T96.3Very high96.2Very high54 Ų5471.5 Ų71.533%0.33137%0.369SS..  trans-10520.9-177.363.60000114.2F77 W78 Y92 N114F77-T116 WeakPolarHBondContact CA-O 3.37Å; W78-T116 PolarHBondContact N-O 2.93Å; W78-T116 VanDerWaalsContact O-CB 3.25Å; W78-T116 WeakPolarHBondContact O-CB 3.33Å; Y92-T116 HydrophobicContact CE2-CG2 4.18Å; N114-T116 WeakPolarHBondContact O-CG2 3.18Å; N114-T116 PolarHBondContact O-N 3.05Å
117S97.3Very high96.3Very high32 Ų3271.3 Ų71.322%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-147.6153.1170.567.40000111V76 F77 Q115V76-S117 CarbonylContact O-C 3.54Å; V76-S117 WeakPolarHBondContact O-CA 3.17Å; V76-S117 WeakPolarHBondContact O-CB 3.49Å; F77-S117 VanDerWaalsContact CD1-CB 3.42Å; Q115-S117 VanDerWaalsContact CG-O 3.26Å; Q115-S117 WeakPolarHBondContact CG-O 3.31Å; Q115-S117 PolarHBondContact NE2-O 2.8Å
118T97.9Very high96.3Very high20 Ų2066.4 Ų66.412%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-148.2148.8170.1-168.60000111.5V76 W78 V94 T111V76-T118 HydrophobicContact CG1-CG2 3.64Å; V76-T118 WeakPolarHBondContact CG1-O 3.45Å; V76-T118 PolarHBondContact N-O 2.95Å; V76-T118 PolarHBondContact O-N 2.79Å; W78-T118 HydrophobicContact CH2-CG2 3.92Å; W78-T118 HydrophobicContact CZ3-CG2 4.02Å; V94-T118 HydrophobicContact CB-CG2 4.39Å; V94-T118 HydrophobicContact CG2-CG2 3.67Å; T111-T118 HydrophobicContact CG2-CG2 4.35Å
119K98.1Very high96.4Very high102 Ų10260.7 Ų60.744%0.44333%0.327SS..EExtended strand (participates in β ladder)trans-88.4134.6169.2-168.5-178.8-179.6-168.40109.3L69 D73 I74 T121L69-K119 HydrophobicContact CD1-CD 4.17Å; L69-K119 HydrophobicContact CD1-CG 4.19Å; D73-K119 WeakPolarHBondContact OD1-CE 3.15Å; D73-K119 IonicContact OD1-NZ 2.84Å; D73-K119 VanDerWaalsContact OD2-CE 3.27Å; D73-K119 WeakPolarHBondContact OD2-CE 3.4Å; D73-K119 IonicContact OD2-NZ 2.91Å; D73-K119 PolarHBondContact OD2-NZ 3.39Å; I74-K119 CarbonylContact O-C 3.46Å; I74-K119 WeakPolarHBondContact O-CA 3.39Å; K119-T121 HydrophobicContact CD-CG2 3.97Å; K119-T121 HydrophobicContact CG-CG2 4.01Å
120I98.1Very high96.4Very high1 Ų160.4 Ų60.41%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-110.4123.8171.8-51-175.6000106.8D73 I74 V76 V94 Y96 I109 L123 L131D73-I120 VanDerWaalsContact CA-O 3.29Å; D73-I120 WeakPolarHBondContact CA-O 3.27Å; I74-I120 PolarHBondContact N-O 3.35Å; I74-I120 PolarHBondContact O-N 2.98Å; V76-I120 HydrophobicContact CG1-CD1 4.18Å; V76-I120 HydrophobicContact CG1-CG1 4.35Å; V94-I120 HydrophobicContact CG1-CD1 4.11Å; Y96-I120 HydrophobicContact CD1-CD1 3.93Å; Y96-I120 HydrophobicContact CD1-CG2 4.29Å; Y96-I120 HydrophobicContact CD2-CG2 3.98Å; Y96-I120 HydrophobicContact CE1-CD1 4.47Å; Y96-I120 HydrophobicContact CE1-CG2 3.96Å; Y96-I120 HydrophobicContact CE2-CG2 3.6Å; Y96-I120 HydrophobicContact CG-CD1 3.95Å; Y96-I120 HydrophobicContact CG-CG2 4.3Å; I109-I120 HydrophobicContact CD1-CB 4.24Å; I109-I120 HydrophobicContact CD1-CG1 3.9Å; I109-I120 HydrophobicContact CD1-CG2 3.92Å; I120-L123 HydrophobicContact CB-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD1 4.04Å; I120-L123 HydrophobicContact CG2-CD2 3.79Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; I120-L131 HydrophobicContact CD1-CD2 3.44Å; I120-L131 VanDerWaalsContact CD1-CD2 3.44Å
121T97.6Very high96.5Very high60 Ų6053.4 Ų53.437%0.36830%0.299SS..  trans-116.3174.9-175.365.80000111.3T72 D73 K119 L123T72-T121 CarbonylContact O-C 3.57Å; T72-T121 WeakPolarHBondContact O-CA 3.47Å; D73-T121 WeakPolarHBondContact OD1-CA 3.38Å; D73-T121 VanDerWaalsContact OD1-CB 3.29Å; D73-T121 WeakPolarHBondContact OD1-CB 3.46Å; D73-T121 VanDerWaalsContact OD1-CG2 3.23Å; D73-T121 WeakPolarHBondContact OD1-CG2 3.29Å; K119-T121 HydrophobicContact CD-CG2 3.97Å; K119-T121 HydrophobicContact CG-CG2 4.01Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 2.89Å
122N96.4Very high96.6Very high133 Ų13353.2 Ų53.271%0.71130%0.297SS*.SBendtrans59.339.7176.9-58.2-41.4000113.4T72T72-N122 PolarHBondContact O-N 3.37Å; T72-N122 VanDerWaalsContact O-N 3.1Å
123L97.4Very high96.8Very high12 Ų1247.8 Ų47.86%0.06326%0.264CS..PPolyproline II helixtrans-90155.8176-56.6-177.7000111.5T72 I74 Y96 I120 T121 Y129 T152T72-L123 WeakPolarHBondContact CA-O 3.23Å; T72-L123 WeakPolarHBondContact CG2-O 3.39Å; T72-L123 WeakPolarHBondContact O-CB 3.43Å; T72-L123 WeakPolarHBondContact O-CG 3.26Å; T72-L123 PolarHBondContact O-N 2.98Å; I74-L123 HydrophobicContact CB-CD1 3.93Å; I74-L123 HydrophobicContact CD1-CD1 3.56Å; I74-L123 HydrophobicContact CG1-CD1 3.89Å; Y96-L123 HydrophobicContact CD2-CD2 4.12Å; Y96-L123 HydrophobicContact CE2-CD2 3.64Å; I120-L123 HydrophobicContact CB-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD1 4.04Å; I120-L123 HydrophobicContact CG2-CD2 3.79Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 2.89Å; L123-Y129 HydrophobicContact CB-CE2 4.05Å; L123-Y129 HydrophobicContact CD1-CD2 4.5Å; L123-Y129 HydrophobicContact CD1-CE2 4.34Å; L123-Y129 HydrophobicContact CD2-CD1 4.4Å; L123-Y129 HydrophobicContact CD2-CE1 3.75Å; L123-T152 HydrophobicContact CB-CG2 4.01Å; L123-T152 HydrophobicContact CD1-CG2 4.06Å
124K96.9Very high97Very high125 Ų12549.3 Ų49.354%0.54326%0.264SS..PPolyproline II helixtrans-71132.6167.9-169177.2-179.9-176.30110.1A71 A127 Y129 T152A71-K124 CarbonylContact O-C 3.53Å; K124-A127 HydrophobicContact CB-CB 4.3Å; K124-Y129 WeakPolarHBondContact CB-OH 3.29Å; K124-Y129 PolarHBondContact N-OH 3.41Å; K124-T152 PolarHBondContact O-OG1 3.01Å
125G96.9Very high97.4Very high20 Ų2042.6 Ų42.621%0.20623%0.228CC..THydrogen-bonded Turntrans-67.8157.3173.100000113.2A71 A127 T152A71-G125 WeakPolarHBondContact O-CA 3.32Å; A71-G125 PolarHBondContact O-N 2.59Å; G125-A127 PolarHBondContact O-N 2.92Å; G125-T152 WeakPolarHBondContact CA-OG1 3.47Å
126S97.3Very high97.4Very high66 Ų6639.5 Ų39.546%0.46221%0.213SC..THydrogen-bonded Turntrans51.934-178.3-55.50000114T152 R153 K154 P155S126-T152 PolarHBondContact N-OG1 2.92Å; S126-R153 PolarHBondContact N-O 2.87Å; S126-K154 WeakPolarHBondContact OG-CA 3.33Å; S126-P155 WeakPolarHBondContact OG-CD 3.02Å
127A97.6Very high97.2Very high16 Ų1637.3 Ų37.313%0.13220%0.199CC..  trans-123.4138.5-175.200000111.5K124 G125 Y129 T151 T152K124-A127 HydrophobicContact CB-CB 4.3Å; G125-A127 PolarHBondContact O-N 2.92Å; A127-Y129 HydrophobicContact CB-CD2 4.47Å; A127-Y129 HydrophobicContact CB-CE2 3.8Å; A127-Y129 WeakPolarHBondContact O-CD2 3.47Å; A127-T151 WeakPolarHBondContact O-CA 3.42Å; A127-T152 PolarHBondContact N-OG1 3.1Å; A127-T152 PolarHBondContact O-N 3.28Å; A127-T152 PolarHBondContact O-OG1 3.07Å
128L98.3Very high97Very high52 Ų5239.6 Ų39.627%0.27222%0.215SC..EExtended strand (participates in β ladder)trans-80.4125.4174.1-178.263.8000109.7R98 H99 N149 T151R98-L128 WeakPolarHBondContact CA-O 3.38Å; H99-L128 HydrophobicContact CB-CB 3.92Å; H99-L128 HydrophobicContact CB-CD2 3.95Å; H99-L128 HydrophobicContact CB-CG 4.02Å; H99-L128 PolarHBondContact N-O 2.97Å; L128-N149 HydrophobicContact CD1-CB 4.02Å; L128-T151 WeakPolarHBondContact CD1-OG1 3.47Å
129Y98.4Very high96.6Very high12 Ų1240.7 Ų40.75%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-112.1145174.1-72.5-95.1000110.8I74 Y96 W97 R98 L123 K124 A127 N149 V150 T152I74-Y129 HydrophobicContact CD1-CD2 3.95Å; I74-Y129 HydrophobicContact CD1-CG 4.25Å; Y96-Y129 HydrophobicContact CD2-CD1 4.3Å; W97-Y129 WeakPolarHBondContact O-CA 3.29Å; R98-Y129 HydrophobicContact CB-CE1 4.42Å; R98-Y129 HydrophobicContact CG-CD1 3.92Å; R98-Y129 HydrophobicContact CG-CE1 3.3Å; R98-Y129 HydrophobicContact CG-CE2 4.33Å; L123-Y129 HydrophobicContact CB-CE2 4.05Å; L123-Y129 HydrophobicContact CD1-CD2 4.5Å; L123-Y129 HydrophobicContact CD1-CE2 4.34Å; L123-Y129 HydrophobicContact CD2-CD1 4.4Å; L123-Y129 HydrophobicContact CD2-CE1 3.75Å; K124-Y129 WeakPolarHBondContact CB-OH 3.29Å; K124-Y129 PolarHBondContact N-OH 3.41Å; A127-Y129 HydrophobicContact CB-CD2 4.47Å; A127-Y129 HydrophobicContact CB-CE2 3.8Å; A127-Y129 WeakPolarHBondContact O-CD2 3.47Å; Y129-N149 VanDerWaalsContact O-CA 3.27Å; Y129-N149 WeakPolarHBondContact O-CA 3.37Å; Y129-V150 PolarHBondContact N-O 3.28Å; Y129-V150 PolarHBondContact O-N 3.47Å; Y129-T152 HydrophobicContact CD2-CG2 3.96Å; Y129-T152 HydrophobicContact CE2-CG2 3.73Å
130H98.1Very high96.4Very high37 Ų3736.8 Ų36.817%0.17122%0.215CC..EExtended strand (participates in β ladder)trans-103.8140.8167.2-62.3-69000109Y96 W97 H99 T147 V148Y96-H130 WeakPolarHBondContact CA-O 3.43Å; W97-H130 AromaticContact CD1-CD2 3.96Å; W97-H130 HydrophobicContact CD2-CB 3.79Å; W97-H130 AromaticContact CE2-CG 3.99Å; W97-H130 HydrophobicContact CE3-CB 4.22Å; W97-H130 HydrophobicContact CG-CB 4.37Å; W97-H130 HydrophobicContact CH2-CB 3.9Å; W97-H130 HydrophobicContact CZ2-CB 3.45Å; W97-H130 VanDerWaalsContact CZ2-CB 3.45Å; W97-H130 HydrophobicContact CZ3-CB 4.25Å; W97-H130 PolarHBondContact N-O 3.17Å; W97-H130 AromaticContact NE1-CD2 3.46Å; W97-H130 PolarHBondContact NE1-CD2 3.29Å; W97-H130 AromaticContact NE1-CG 3.91Å; W97-H130 PolarHBondContact O-N 3.16Å; H99-H130 AromaticContact CG-NE2 3.78Å; H99-H130 AromaticContact ND1-CE1 3.58Å; H99-H130 AromaticContact ND1-NE2 3.06Å; H99-H130 PolarHBondContact ND1-NE2 3.18Å; H130-T147 HydrophobicContact CB-CG2 3.81Å; H130-V148 CarbonylContact C-O 3.57Å; H130-V148 WeakPolarHBondContact CA-O 3.21Å
131L98.1Very high96.2Very high1 Ų139 Ų391%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-137.4144.3-179.8-57.290.4000110.7A66 I74 V76 K95 I120 T147 V148 V150A66-L131 HydrophobicContact CB-CD1 4.34Å; I74-L131 HydrophobicContact CG2-CD2 4.25Å; V76-L131 HydrophobicContact CB-CD2 4.07Å; V76-L131 HydrophobicContact CG1-CD2 4.24Å; V76-L131 HydrophobicContact CG2-CD2 4.33Å; K95-L131 VanDerWaalsContact O-CA 3.29Å; K95-L131 WeakPolarHBondContact O-CA 3.47Å; I120-L131 HydrophobicContact CD1-CD2 3.44Å; I120-L131 VanDerWaalsContact CD1-CD2 3.44Å; L131-T147 CarbonylContact O-C 3.6Å; L131-T147 VanDerWaalsContact O-CA 3.3Å; L131-T147 WeakPolarHBondContact O-CA 3.29Å; L131-V148 HydrophobicContact CB-CG2 4.01Å; L131-V148 PolarHBondContact N-O 2.84Å; L131-V148 PolarHBondContact O-N 2.87Å; L131-V150 HydrophobicContact CD1-CG1 3.33Å
132A97.8Very high96.1Very high0 Ų036.4 Ų36.40%021%0.214CC..EExtended strand (participates in β ladder)trans-146.5158164.900000110.9K95 S144K95-A132 HydrophobicContact CD-CB 4.33Å; K95-A132 HydrophobicContact CG-CB 4.07Å; K95-A132 VanDerWaalsContact CG-O 3.28Å; K95-A132 WeakPolarHBondContact CG-O 3.36Å; K95-A132 PolarHBondContact N-O 2.91Å; K95-A132 PolarHBondContact O-N 3.2Å; A132-S144 WeakPolarHBondContact CB-OG 3.28Å
133V98.1Very high96.1Very high0 Ų032.6 Ų32.60%020%0.197CC..EExtended strand (participates in β ladder)trans-125.1139.5-173.6-172.10000110.1P61 I64 V76 W78 Y92 E93 V94 S145P61-V133 HydrophobicContact CB-CB 4.43Å; P61-V133 HydrophobicContact CB-CG1 4.37Å; P61-V133 WeakPolarHBondContact CD-O 3.05Å; P61-V133 HydrophobicContact CG-CB 4.23Å; P61-V133 HydrophobicContact CG-CG1 3.96Å; I64-V133 HydrophobicContact CD1-CB 4.37Å; I64-V133 HydrophobicContact CD1-CG2 3.67Å; I64-V133 HydrophobicContact CG1-CG2 4.46Å; V76-V133 HydrophobicContact CG2-CG2 4.41Å; W78-V133 HydrophobicContact CD2-CG1 3.92Å; W78-V133 HydrophobicContact CD2-CG2 4.26Å; W78-V133 HydrophobicContact CE3-CG1 4.3Å; W78-V133 HydrophobicContact CE3-CG2 3.93Å; W78-V133 HydrophobicContact CG-CG1 4.18Å; W78-V133 HydrophobicContact CZ2-CG1 4.45Å; W78-V133 HydrophobicContact CZ3-CG2 4.42Å; Y92-V133 HydrophobicContact CD1-CG1 4.24Å; Y92-V133 HydrophobicContact CG-CG1 4.36Å; E93-V133 CarbonylContact O-C 3.57Å; E93-V133 WeakPolarHBondContact O-CA 3.32Å; V94-V133 HydrophobicContact CB-CG2 4.44Å; V94-V133 HydrophobicContact CG1-CG2 4.24Å; V94-V133 HydrophobicContact CG2-CG1 4.25Å; V94-V133 HydrophobicContact CG2-CG2 3.97Å; V133-S145 PolarHBondContact N-OG 2.91Å; V133-S145 WeakPolarHBondContact O-CB 3.39Å; V133-S145 PolarHBondContact O-N 3.33Å; V133-S145 PolarHBondContact O-OG 2.87Å
134K96.9Very high96.1Very high57 Ų5733.9 Ų33.925%0.24821%0.207CC..EExtended strand (participates in β ladder)trans-118.2143.7171.1-67.6179.6175-167.70109.6Y92 E93Y92-K134 CarbonylContact C-O 3.54Å; Y92-K134 WeakPolarHBondContact CA-O 3.35Å; Y92-K134 WeakPolarHBondContact CB-O 3.07Å; E93-K134 PolarHBondContact N-O 2.91Å; E93-K134 PolarHBondContact O-N 2.92Å
135A96.4Very high96.1Very high0 Ų028.3 Ų28.30%018%0.183CC..EExtended strand (participates in β ladder)trans-83.7149.4165.500000109.7P57 P61 P81 I89 Y92 G142P57-A135 HydrophobicContact CB-CB 4.22Å; P57-A135 HydrophobicContact CG-CB 4.23Å; P61-A135 HydrophobicContact CG-CB 4.38Å; P81-A135 HydrophobicContact CG-CB 3.97Å; I89-A135 HydrophobicContact CD1-CB 4.29Å; I89-A135 HydrophobicContact CG2-CB 4.33Å; Y92-A135 HydrophobicContact CD1-CB 3.94Å; Y92-A135 HydrophobicContact CE1-CB 3.9Å; A135-G142 PolarHBondContact O-N 2.71Å
136Y95.1Very high96Very high29 Ų2930.9 Ų30.911%0.11420%0.202CC..EExtended strand (participates in β ladder)trans-135.8153.6172.573.8-94.6000112.1Q90 G91 R110 T111 G140Q90-Y136 HydrophobicContact CB-CD2 4.15Å; Q90-Y136 HydrophobicContact CB-CE2 3.78Å; Q90-Y136 PolarHBondContact N-O 2.95Å; G91-Y136 PolarHBondContact N-O 2.98Å; G91-Y136 WeakPolarHBondContact O-CD1 3.25Å; G91-Y136 PolarHBondContact O-N 2.96Å; R110-Y136 HydrophobicContact CB-CE1 4.41Å; R110-Y136 HydrophobicContact CG-CE1 4.38Å; T111-Y136 PolarHBondContact O-OH 2.8Å; Y136-G140 VanDerWaalsContact CA-O 3.26Å; Y136-G140 WeakPolarHBondContact CA-O 3.32Å; Y136-G140 WeakPolarHBondContact CB-O 3.35Å
137N93.1Very high96Very high9 Ų931.1 Ų31.15%0.04820%0.201CC..  trans-137.5-165.1172.2682.4000110.1E55 R86 R88 A139 G140E55-N137 PolarHBondContact O-ND2 2.65Å; R86-N137 PolarHBondContact O-ND2 2.81Å; R88-N137 WeakPolarHBondContact O-CB 3.49Å; N137-A139 PolarHBondContact O-N 2.85Å; N137-A139 WeakPolarHBondContact OD1-CB 3.36Å; N137-A139 PolarHBondContact OD1-N 2.83Å; N137-G140 PolarHBondContact N-O 2.84Å; N137-G140 PolarHBondContact O-N 2.8Å; N137-G140 PolarHBondContact OD1-N 2.84Å; N137-G140 VanDerWaalsContact OD1-N 3.16Å; N137-G140 PolarHBondContact OD1-O 2.82Å
138S91.6Very high96Very high80 Ų8031.5 Ų31.556%0.55920%0.202SC*.SBendtrans-69.9-21.3-178.869.20000113.7E54E54-S138 WeakPolarHBondContact OE2-CB 3.38Å; E54-S138 PolarHBondContact OE2-N 2.56Å; E54-S138 VanDerWaalsContact OE2-N 3.08Å; E54-S138 PolarHBondContact OE2-OG 3.08Å
139A90.7Very high96Very high42 Ų4234.1 Ų34.135%0.34722%0.216SC..SBendtrans-81.8-26.9177.800000112.8E54 E55 E56 N137E54-A139 HydrophobicContact CB-CB 3.97Å; E54-A139 WeakPolarHBondContact O-CB 3.08Å; E55-A139 VanDerWaalsContact C-CB 3.41Å; E56-A139 HydrophobicContact CG-CB 4.36Å; N137-A139 PolarHBondContact O-N 2.85Å; N137-A139 WeakPolarHBondContact OD1-CB 3.36Å; N137-A139 PolarHBondContact OD1-N 2.83Å
140G93.1Very high96Very high21 Ų2134.2 Ų34.222%0.21622%0.218CC..  trans147.6-152.1176.400000113.9E56 Y136 N137E56-G140 WeakPolarHBondContact OE1-CA 3.18Å; Y136-G140 VanDerWaalsContact CA-O 3.26Å; Y136-G140 WeakPolarHBondContact CA-O 3.32Å; Y136-G140 WeakPolarHBondContact CB-O 3.35Å; N137-G140 PolarHBondContact N-O 2.84Å; N137-G140 PolarHBondContact O-N 2.8Å; N137-G140 PolarHBondContact OD1-N 2.84Å; N137-G140 VanDerWaalsContact OD1-N 3.16Å; N137-G140 PolarHBondContact OD1-O 2.82Å
141T95.1Very high96Very high47 Ų4736.2 Ų36.229%0.28823%0.233SC..EExtended strand (participates in β ladder)trans-108.6131.9-173.5590000111.5E56E56-T141 PolarHBondContact OE1-N 2.83Å
142G94.9Very high96Very high6 Ų636.4 Ų36.46%0.06223%0.234CC..EExtended strand (participates in β ladder)trans-77.4-172.8175.600000114.7P57 A135P57-G142 WeakPolarHBondContact O-CA 3.41Å; A135-G142 PolarHBondContact O-N 2.71Å
143P96.4Very high96Very high53 Ų5340.5 Ų40.534%0.34425%0.25SC..EExtended strand (participates in β ladder)trans-67.5155.3179.529.9-36.2000112P57 T58 P60P57-P143 WeakPolarHBondContact O-CD 3.43Å; T58-P143 WeakPolarHBondContact O-CG 3.31Å; P60-P143 HydrophobicContact CB-CG 4.21Å
144S96.6Very high96Very high39 Ų3945.4 Ų45.427%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-71.9140.5176.1-168.80000111P60 K95 A132P60-S144 WeakPolarHBondContact CB-O 3.46Å; K95-S144 VanDerWaalsContact CE-OG 3.32Å; K95-S144 WeakPolarHBondContact CE-OG 3.48Å; K95-S144 PolarHBondContact NZ-OG 2.9Å; A132-S144 WeakPolarHBondContact CB-OG 3.28Å
145S97.3Very high96.1Very high7 Ų744.8 Ų44.85%0.04927%0.273CS..PPolyproline II helixtrans-59.1167.2161.773.50000111.2I64 V133I64-S145 WeakPolarHBondContact CD1-OG 3.39Å; V133-S145 PolarHBondContact N-OG 2.91Å; V133-S145 WeakPolarHBondContact O-CB 3.39Å; V133-S145 PolarHBondContact O-N 3.33Å; V133-S145 PolarHBondContact O-OG 2.87Å
146A95.9Very high96.1Very high74 Ų7446.1 Ų46.161%0.61228%0.281SS*.PPolyproline II helixtrans-53.5144.716100000110.1
147T97.1Very high96.1Very high71 Ų7144.8 Ų44.844%0.43628%0.276SS..PPolyproline II helixtrans-75.3130.4174.9-57.50000109.2W97 H130 L131W97-T147 HydrophobicContact CH2-CG2 3.9Å; W97-T147 HydrophobicContact CZ2-CG2 4.15Å; H130-T147 HydrophobicContact CB-CG2 3.81Å; L131-T147 CarbonylContact O-C 3.6Å; L131-T147 VanDerWaalsContact O-CA 3.3Å; L131-T147 WeakPolarHBondContact O-CA 3.29Å
148V97.9Very high96.3Very high24 Ų2447.4 Ų47.415%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-109.4153.6170.4-61.60000110I64 A66 H130 L131I64-V148 HydrophobicContact CB-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG2 3.76Å; I64-V148 HydrophobicContact CG1-CG1 3.91Å; I64-V148 HydrophobicContact CG1-CG2 3.82Å; I64-V148 HydrophobicContact CG2-CG1 3.56Å; A66-V148 HydrophobicContact CB-CG2 4.08Å; H130-V148 CarbonylContact C-O 3.57Å; H130-V148 WeakPolarHBondContact CA-O 3.21Å; L131-V148 HydrophobicContact CB-CG2 4.01Å; L131-V148 PolarHBondContact N-O 2.84Å; L131-V148 PolarHBondContact O-N 2.87Å
149N97.8Very high96.4Very high108 Ų10847.5 Ų47.558%0.57829%0.287SS*.EExtended strand (participates in β ladder)trans-116149178.662.4-8.2000111.2L128 Y129L128-N149 HydrophobicContact CD1-CB 4.02Å; Y129-N149 VanDerWaalsContact O-CA 3.27Å; Y129-N149 WeakPolarHBondContact O-CA 3.37Å
150V98.3Very high96.6Very high14 Ų1447.4 Ų47.49%0.08528%0.282CS..EExtended strand (participates in β ladder)trans-156.1139.217653.90000109.3A66 I74 Y129 L131A66-V150 HydrophobicContact CB-CB 4.06Å; A66-V150 HydrophobicContact CB-CG1 3.8Å; I74-V150 HydrophobicContact CD1-CB 4.4Å; I74-V150 HydrophobicContact CD1-CG1 3.46Å; I74-V150 VanDerWaalsContact CD1-CG1 3.46Å; I74-V150 HydrophobicContact CD1-CG2 4.14Å; I74-V150 HydrophobicContact CG1-CG1 4.08Å; I74-V150 HydrophobicContact CG1-CG2 4.14Å; I74-V150 HydrophobicContact CG2-CG1 3.87Å; Y129-V150 PolarHBondContact N-O 3.28Å; Y129-V150 PolarHBondContact O-N 3.47Å; L131-V150 HydrophobicContact CD1-CG1 3.33Å
151T98.4Very high96.7Very high79 Ų7946.7 Ų46.749%0.48527%0.274SS..EExtended strand (participates in β ladder)trans-101.5126.7178.3-49.20000109.5S68 A127 L128S68-T151 WeakPolarHBondContact CB-O 3.38Å; S68-T151 PolarHBondContact OG-O 3.24Å; A127-T151 WeakPolarHBondContact O-CA 3.42Å; L128-T151 WeakPolarHBondContact CD1-OG1 3.47Å
152T98.2Very high96.6Very high4 Ų445.3 Ų45.33%0.02527%0.27CS..PPolyproline II helixtrans-63.2150.9170.8500000110.5S68 A71 I74 L123 K124 G125 S126 A127 Y129S68-T152 WeakPolarHBondContact OG-CA 3.49Å; A71-T152 WeakPolarHBondContact O-CB 3.28Å; I74-T152 HydrophobicContact CD1-CG2 3.6Å; I74-T152 HydrophobicContact CG1-CG2 4.02Å; L123-T152 HydrophobicContact CB-CG2 4.01Å; L123-T152 HydrophobicContact CD1-CG2 4.06Å; K124-T152 PolarHBondContact O-OG1 3.01Å; G125-T152 WeakPolarHBondContact CA-OG1 3.47Å; S126-T152 PolarHBondContact N-OG1 2.92Å; A127-T152 PolarHBondContact N-OG1 3.1Å; A127-T152 PolarHBondContact O-N 3.28Å; A127-T152 PolarHBondContact O-OG1 3.07Å; Y129-T152 HydrophobicContact CD2-CG2 3.96Å; Y129-T152 HydrophobicContact CE2-CG2 3.73Å
153R98.2Very high96.5Very high87 Ų8749.2 Ų49.233%0.32829%0.289SS..PPolyproline II helixtrans-67.9166.2179.9-67.5163.8-174.1-123.47.1110.8S68 S70 A71 S126 D233S68-R153 PolarHBondContact O-NE 3.06Å; S68-R153 VanDerWaalsContact O-NE 3.11Å; S68-R153 PolarHBondContact O-NH2 2.87Å; S68-R153 VanDerWaalsContact O-NH2 3.16Å; S68-R153 PolarHBondContact OG-N 3.45Å; S70-R153 PolarHBondContact O-N 2.88Å; S70-R153 VanDerWaalsContact O-N 3.16Å; A71-R153 WeakPolarHBondContact CA-O 3.36Å; A71-R153 WeakPolarHBondContact CB-O 3.48Å; S126-R153 PolarHBondContact N-O 2.87Å; R153-D233 WeakPolarHBondContact CD-O 3.32Å; R153-D233 VanDerWaalsContact NH1-CB 3.31Å; R153-D233 IonicContact NH1-OD1 2.91Å; R153-D233 PolarHBondContact NH1-OD1 3.24Å; R153-D233 IonicContact NH1-OD2 3.71Å
154K97.9Very high96.4Very high102 Ų10247.2 Ų47.244%0.44328%0.275SS..PPolyproline II helixtrans-61.2144.3171-67.5-176.8-178.6-177.40110.1S126 D184 E186 S187 G234S126-K154 WeakPolarHBondContact OG-CA 3.33Å; K154-D184 PolarHBondContact NZ-O 3.48Å; K154-E186 WeakPolarHBondContact CD-O 3.46Å; K154-S187 WeakPolarHBondContact CB-OG 2.93Å; K154-S187 PolarHBondContact O-OG 2.8Å; K154-G234 WeakPolarHBondContact O-CA 3.01Å
155P97.6Very high96.3Very high45 Ų4548.3 Ų48.329%0.29228%0.277SS..PPolyproline II helixtrans-53.8150.8176.123.8-34.9000111.7S126 N185 E186 S187S126-P155 WeakPolarHBondContact OG-CD 3.02Å; P155-N185 VanDerWaalsContact CD-O 3.31Å; P155-N185 WeakPolarHBondContact CD-O 3.43Å; P155-N185 WeakPolarHBondContact CG-O 3.35Å; P155-E186 HydrophobicContact CG-CG 4.44Å; P155-E186 CarbonylContact O-C 3.51Å; P155-E186 WeakPolarHBondContact O-CA 3.13Å; P155-S187 PolarHBondContact O-N 3.47Å
156P96.9Very high96Very high28 Ų2848.8 Ų48.818%0.18228%0.278CS..PPolyproline II helixtrans-67.9164.4173.831.7-34.3000111.1S158 S232 G235 D236P156-S158 PolarHBondContact O-N 2.85Å; P156-S232 WeakPolarHBondContact CA-OG 3.26Å; P156-G235 WeakPolarHBondContact CB-O 3.42Å; P156-D236 WeakPolarHBondContact CG-O 3.43Å
157P95.9Very high95.6Very high0 Ų047.7 Ų47.70%026%0.262CS..PPolyproline II helixtrans-53.6125.1179.1-22.228000112.4Q159 V180 E186 V189 P230 G237 S238P157-Q159 VanDerWaalsContact C-N 3.34Å; P157-V180 HydrophobicContact CB-CG1 3.84Å; P157-E186 WeakPolarHBondContact CA-OE2 3.43Å; P157-V189 HydrophobicContact CB-CG2 4.29Å; P157-V189 HydrophobicContact CG-CG2 3.48Å; P157-V189 VanDerWaalsContact CG-CG2 3.48Å; P157-P230 HydrophobicContact CB-CG 4.07Å; P157-P230 HydrophobicContact CG-CB 4.38Å; P157-P230 HydrophobicContact CG-CG 4.31Å; P157-G237 WeakPolarHBondContact O-CA 3.5Å; P157-S238 PolarHBondContact O-N 2.76Å; P157-S238 VanDerWaalsContact O-N 3.07Å
158S95.5Very high94.9Very high64 Ų6444.8 Ų44.845%0.44824%0.244SC..  trans-81.3-14.9178.659.90000113.4P156 E186 S238P156-S158 PolarHBondContact O-N 2.85Å; S158-E186 WeakPolarHBondContact CB-OE1 3.48Å; S158-E186 PolarHBondContact N-OE1 3.16Å; S158-E186 PolarHBondContact OG-OE1 3.11Å; S158-S238 VanDerWaalsContact C-OG 3.28Å; S158-S238 WeakPolarHBondContact O-CB 3.18Å; S158-S238 PolarHBondContact O-OG 2.89Å
159Q94.2Very high93.8Very high83 Ų8345.2 Ų45.239%0.38825%0.248SC..SBendtrans-89.2130.7179.1-64.4176.842.800110.7P157 V180P157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-V180 HydrophobicContact CB-CG1 4.43Å
160P95.2Very high92.4Very high39 Ų3945.7 Ų45.725%0.25325%0.251SS..PPolyproline II helixtrans-73.3162.6173.632.4-35.3000111.4G162 S239 T260P160-G162 PolarHBondContact O-N 3.13Å; P160-S239 WeakPolarHBondContact CB-O 3.33Å; P160-T260 HydrophobicContact CG-CG2 4.37Å
161P95Very high91.2Very high6 Ų647.6 Ų47.64%0.03927%0.265CS..PPolyproline II helixtrans-61.2127.8171.8-19.233.5000111I164 W177 V180 Y192 I228P161-I164 HydrophobicContact CB-CD1 4.33Å; P161-I164 HydrophobicContact CB-CG1 4.46Å; P161-W177 HydrophobicContact CB-CB 4.21Å; P161-W177 HydrophobicContact CB-CG 4.13Å; P161-V180 HydrophobicContact CB-CG2 4.14Å; P161-V180 HydrophobicContact CG-CG2 4.09Å; P161-Y192 HydrophobicContact CB-CE1 4.47Å; P161-Y192 HydrophobicContact CG-CD1 4.05Å; P161-Y192 HydrophobicContact CG-CE1 4.09Å; P161-I228 HydrophobicContact CB-CG2 4.5Å; P161-I228 WeakPolarHBondContact CD-O 3.3Å; P161-I228 HydrophobicContact CG-CB 4.25Å; P161-I228 HydrophobicContact CG-CG2 3.93Å
162G92.6Very high90.6Very high19 Ų1947.9 Ų47.920%0.19626%0.259CS..PPolyproline II helixtrans-89.4167.8178.600000112.9P160 I164 D178P160-G162 PolarHBondContact O-N 3.13Å; G162-I164 VanDerWaalsContact C-N 3.26Å; G162-I164 PolarHBondContact O-N 3.46Å; G162-I164 VanDerWaalsContact O-N 3.13Å; G162-D178 PolarHBondContact O-N 2.97Å
163N93.4Very high90.1Very high88 Ų8848.1 Ų48.147%0.47126%0.26SS..SBendtrans47.545.1170.6-65.2-34000114.4I165 D178N163-I165 PolarHBondContact O-N 2.81Å; N163-D178 PolarHBondContact ND2-OD2 2.94Å
164I94.4Very high89.8Confident11 Ų1146 Ų466%0.05626%0.256CS..  trans-72.5119.3-179-48173.7000109.1P161 G162 L175 N176 W177 I228 I243 S256 G257P161-I164 HydrophobicContact CB-CD1 4.33Å; P161-I164 HydrophobicContact CB-CG1 4.46Å; G162-I164 VanDerWaalsContact C-N 3.26Å; G162-I164 PolarHBondContact O-N 3.46Å; G162-I164 VanDerWaalsContact O-N 3.13Å; I164-L175 HydrophobicContact CG2-CD2 4.2Å; I164-N176 CarbonylContact C-O 3.55Å; I164-N176 WeakPolarHBondContact CA-O 3.32Å; I164-W177 HydrophobicContact CB-CB 4.4Å; I164-W177 HydrophobicContact CG1-CB 3.88Å; I164-W177 HydrophobicContact CG2-CB 4.43Å; I164-I228 HydrophobicContact CD1-CD1 4.26Å; I164-I228 HydrophobicContact CG2-CD1 3.81Å; I164-I243 HydrophobicContact CB-CD1 4.08Å; I164-I243 HydrophobicContact CD1-CD1 3.92Å; I164-I243 HydrophobicContact CG2-CD1 3.45Å; I164-I243 VanDerWaalsContact CG2-CD1 3.45Å; I164-S256 CarbonylContact O-C 3.53Å; I164-S256 VanDerWaalsContact O-CA 3.3Å; I164-S256 WeakPolarHBondContact O-CA 3.48Å; I164-G257 PolarHBondContact O-N 3.26Å
165I93.7Very high89.6Confident62 Ų6241.2 Ų41.232%0.31823%0.234SC..EExtended strand (participates in β ladder)trans-120.7138.4178.7-60163.8000107.7N163 N176N163-I165 PolarHBondContact O-N 2.81Å; I165-N176 PolarHBondContact N-O 2.81Å; I165-N176 PolarHBondContact O-N 2.98Å
166W91.8Very high89.5Confident17 Ų1742.1 Ų42.16%0.06424%0.237CC..EExtended strand (participates in β ladder)trans-127.3145.6174.764-92.6000111.4I174 L175 I245 A253 R254 G255W166-I174 CarbonylContact C-O 3.52Å; W166-I174 WeakPolarHBondContact CA-O 3.48Å; W166-L175 HydrophobicContact CB-CD2 3.69Å; W166-L175 HydrophobicContact CB-CG 4.35Å; W166-I245 HydrophobicContact CB-CD1 4.26Å; W166-I245 HydrophobicContact CD2-CD1 3.89Å; W166-I245 HydrophobicContact CD2-CG1 3.94Å; W166-I245 HydrophobicContact CE3-CD1 4.08Å; W166-I245 HydrophobicContact CE3-CG1 4.27Å; W166-I245 HydrophobicContact CE3-CG2 4.19Å; W166-I245 HydrophobicContact CG-CD1 3.97Å; W166-I245 HydrophobicContact CG-CG1 4.28Å; W166-I245 HydrophobicContact CH2-CG2 4.02Å; W166-I245 HydrophobicContact CZ2-CG1 4.31Å; W166-I245 HydrophobicContact CZ2-CG2 4.48Å; W166-I245 HydrophobicContact CZ3-CG2 3.86Å; W166-A253 HydrophobicContact CH2-CB 3.98Å; W166-A253 HydrophobicContact CZ3-CB 3.89Å; W166-R254 WeakPolarHBondContact O-CA 3.2Å; W166-R254 VanDerWaalsContact O-CG 3.3Å; W166-R254 WeakPolarHBondContact O-CG 3.26Å; W166-G255 VanDerWaalsContact CE2-CA 3.48Å; W166-G255 PolarHBondContact N-O 3.16Å; W166-G255 PolarHBondContact O-N 2.98Å
167N87.8Confident89.5Confident51 Ų5141.2 Ų41.227%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-134.3152.7170.665-79.4000109.6I174 A253 R254N167-I174 PolarHBondContact N-O 2.8Å; N167-I174 PolarHBondContact O-N 2.8Å; N167-I174 WeakPolarHBondContact OD1-CB 3.32Å; N167-I174 PolarHBondContact OD1-O 2.93Å; N167-A253 CarbonylContact C-O 3.59Å; N167-A253 WeakPolarHBondContact CA-O 3.48Å; N167-R254 HydrophobicContact CB-CG 4.42Å
168S82.4Confident89.5Confident9 Ų945 Ų456%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-129.2143-177.156.50000111.1K172 I248 Y252 A253S168-K172 CarbonylContact C-O 3.59Å; S168-K172 WeakPolarHBondContact CA-O 3.3Å; S168-I248 WeakPolarHBondContact OG-CD1 3.41Å; S168-Y252 WeakPolarHBondContact O-CA 3.36Å; S168-Y252 WeakPolarHBondContact O-CD1 3.42Å; S168-A253 PolarHBondContact N-O 2.82Å; S168-A253 WeakPolarHBondContact OG-CA 3.36Å; S168-A253 WeakPolarHBondContact OG-CB 3.42Å; S168-A253 PolarHBondContact OG-N 3.46Å; S168-A253 PolarHBondContact OG-O 2.94Å
169S74.4Confident89.5Confident33 Ų3348.7 Ų48.723%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-150.1125.1174.560.20000109.8S171 K172S169-S171 VanDerWaalsContact C-N 3.32Å; S169-S171 PolarHBondContact O-N 2.94Å; S169-K172 PolarHBondContact N-O 2.86Å; S169-K172 PolarHBondContact O-N 2.8Å
170D68.2Low89.6Confident119 Ų11945.1 Ų45.164%0.63624%0.244SC*.THydrogen-bonded Turntrans36.151.2164.4-58.2-15.7000116.1
171S74.3Confident89.6Confident54 Ų5451 Ų5138%0.37827%0.266SS..THydrogen-bonded Turntrans92.212.9-177.994.30000118S169 L218S169-S171 VanDerWaalsContact C-N 3.32Å; S169-S171 PolarHBondContact O-N 2.94Å; S171-L218 CarbonylContact C-O 3.52Å; S171-L218 PolarHBondContact O-N 2.94Å
172K84.8Confident89.6Confident84 Ų8452.4 Ų52.437%0.36528%0.278SS..EExtended strand (participates in β ladder)trans-125.9138.4177.2-65.3173.8171.8-153.30110.8S168 S169 E215 L216S168-K172 CarbonylContact C-O 3.59Å; S168-K172 WeakPolarHBondContact CA-O 3.3Å; S169-K172 PolarHBondContact N-O 2.86Å; S169-K172 PolarHBondContact O-N 2.8Å; K172-E215 HydrophobicContact CB-CG 4.41Å; K172-E215 HydrophobicContact CD-CG 4.4Å; K172-E215 WeakPolarHBondContact CD-OE1 3.45Å; K172-E215 WeakPolarHBondContact CE-OE1 3.1Å; K172-E215 IonicContact NZ-OE1 2.65Å; K172-E215 PolarHBondContact NZ-OE1 3.11Å; K172-L216 CarbonylContact C-O 3.59Å; K172-L216 WeakPolarHBondContact CA-O 3.36Å
173I88.2Confident89.7Confident9 Ų955.4 Ų55.45%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-115.3119.1168.9-66168.9000107L175 L216 L218 Y224 I226 I245I173-L175 HydrophobicContact CG2-CG 4.3Å; I173-L216 HydrophobicContact CB-CB 4.29Å; I173-L216 PolarHBondContact N-O 2.99Å; I173-L216 PolarHBondContact O-N 2.77Å; I173-L218 HydrophobicContact CD1-CB 4.34Å; I173-L218 HydrophobicContact CD1-CD1 4.11Å; I173-Y224 HydrophobicContact CD1-CD2 4.34Å; I173-I226 HydrophobicContact CG2-CD1 4.46Å; I173-I245 HydrophobicContact CD1-CD1 4.02Å; I173-I245 HydrophobicContact CD1-CG2 3.96Å; I173-I245 HydrophobicContact CG1-CD1 4.49Å; I173-I245 HydrophobicContact CG2-CD1 3.48Å; I173-I245 VanDerWaalsContact CG2-CD1 3.48Å
174I90.9Very high89.8Confident44 Ų4458.7 Ų58.723%0.22631%0.307CS..EExtended strand (participates in β ladder)trans-103.9124.7175.7-60.5168.2000107.4W166 N167 V214 E215W166-I174 CarbonylContact C-O 3.52Å; W166-I174 WeakPolarHBondContact CA-O 3.48Å; N167-I174 PolarHBondContact N-O 2.8Å; N167-I174 PolarHBondContact O-N 2.8Å; N167-I174 WeakPolarHBondContact OD1-CB 3.32Å; N167-I174 PolarHBondContact OD1-O 2.93Å; I174-V214 WeakPolarHBondContact CA-O 3.49Å; I174-E215 HydrophobicContact CG1-CB 4.39Å; I174-E215 HydrophobicContact CG1-CG 4.07Å
175L93.9Very high89.9Confident0 Ų063 Ų630%033%0.33CS..EExtended strand (participates in β ladder)trans-109.9137.6175.7-72.4151.1000108.8I164 W166 I173 W177 V194 S213 V214 L216 I226 I228 I243I164-L175 HydrophobicContact CG2-CD2 4.2Å; W166-L175 HydrophobicContact CB-CD2 3.69Å; W166-L175 HydrophobicContact CB-CG 4.35Å; I173-L175 HydrophobicContact CG2-CG 4.3Å; L175-W177 HydrophobicContact CB-CE3 4.13Å; L175-W177 HydrophobicContact CB-CZ3 3.77Å; L175-V194 HydrophobicContact CD1-CG1 4.04Å; L175-S213 CarbonylContact O-C 3.58Å; L175-S213 WeakPolarHBondContact O-CA 3.34Å; L175-S213 WeakPolarHBondContact O-CB 3.24Å; L175-V214 HydrophobicContact CB-CG1 3.94Å; L175-V214 HydrophobicContact CD1-CG1 3.76Å; L175-V214 HydrophobicContact CG-CG1 4.45Å; L175-V214 PolarHBondContact N-O 2.9Å; L175-V214 PolarHBondContact O-N 2.81Å; L175-L216 HydrophobicContact CD1-CD1 3.69Å; L175-L216 HydrophobicContact CD1-CG 4.34Å; L175-I226 HydrophobicContact CD1-CD1 3.87Å; L175-I226 HydrophobicContact CD1-CG2 3.9Å; L175-I228 HydrophobicContact CD2-CD1 4.38Å; L175-I243 HydrophobicContact CD2-CD1 4.41Å
176N96.3Very high90Very high64 Ų6460.8 Ų60.834%0.34232%0.318SS..EExtended strand (participates in β ladder)trans-133.4142.6172.9-60.2-83.1000108.7I164 I165 T212 S213I164-N176 CarbonylContact C-O 3.55Å; I164-N176 WeakPolarHBondContact CA-O 3.32Å; I165-N176 PolarHBondContact N-O 2.81Å; I165-N176 PolarHBondContact O-N 2.98Å; N176-T212 WeakPolarHBondContact CA-O 3.18Å; N176-S213 VanDerWaalsContact OD1-CB 3.24Å; N176-S213 WeakPolarHBondContact OD1-CB 3.27Å
177W96.3Very high90.3Very high9 Ų960.5 Ų60.53%0.03432%0.319CS..  trans-146.8169.3179.156.292.6000111.2P161 I164 L175 Y192 V194 T209 K211 T212 V214 I228P161-W177 HydrophobicContact CB-CB 4.21Å; P161-W177 HydrophobicContact CB-CG 4.13Å; I164-W177 HydrophobicContact CB-CB 4.4Å; I164-W177 HydrophobicContact CG1-CB 3.88Å; I164-W177 HydrophobicContact CG2-CB 4.43Å; L175-W177 HydrophobicContact CB-CE3 4.13Å; L175-W177 HydrophobicContact CB-CZ3 3.77Å; W177-Y192 AromaticContact CD1-CE1 3.85Å; W177-Y192 AromaticContact CE2-CD2 3.97Å; W177-Y192 AromaticContact CE2-CG 3.79Å; W177-Y192 HydrophobicContact CZ2-CD1 4.43Å; W177-Y192 AromaticContact CZ2-CD2 3.9Å; W177-Y192 HydrophobicContact CZ2-CD2 3.9Å; W177-Y192 AromaticContact CZ2-CG 3.75Å; W177-Y192 HydrophobicContact CZ2-CG 3.75Å; W177-Y192 AromaticContact NE1-CD1 3.26Å; W177-Y192 VanDerWaalsContact NE1-CD1 3.26Å; W177-Y192 AromaticContact NE1-CD2 3.41Å; W177-Y192 AromaticContact NE1-CE1 3.36Å; W177-Y192 AromaticContact NE1-CE2 3.52Å; W177-Y192 AromaticContact NE1-CG 3.3Å; W177-Y192 VanDerWaalsContact NE1-CG 3.3Å; W177-Y192 AromaticContact NE1-CZ 3.51Å; W177-V194 HydrophobicContact CH2-CG2 3.87Å; W177-V194 HydrophobicContact CZ3-CG2 4.39Å; W177-T209 HydrophobicContact CH2-CG2 3.96Å; W177-T209 HydrophobicContact CZ2-CG2 3.92Å; W177-K211 WeakPolarHBondContact CZ2-O 3.04Å; W177-T212 PolarHBondContact N-O 2.68Å; W177-T212 VanDerWaalsContact O-CB 3.27Å; W177-T212 WeakPolarHBondContact O-CB 3.41Å; W177-V214 HydrophobicContact CH2-CB 4.14Å; W177-V214 HydrophobicContact CH2-CG1 4.14Å; W177-V214 HydrophobicContact CZ3-CB 4.41Å; W177-V214 HydrophobicContact CZ3-CG1 4.05Å; W177-I228 HydrophobicContact CD2-CD1 3.99Å; W177-I228 HydrophobicContact CD2-CG2 4.26Å; W177-I228 HydrophobicContact CE3-CD1 3.48Å; W177-I228 VanDerWaalsContact CE3-CD1 3.48Å; W177-I228 HydrophobicContact CZ2-CG2 4.23Å; W177-I228 HydrophobicContact CZ3-CD1 3.79Å
178D95.7Very high90.7Very high81 Ų8165.8 Ų65.843%0.43334%0.342SS..PPolyproline II helixtrans-79.3146.9175.4-77.2-4.5000111.8G162 N163 V180G162-D178 PolarHBondContact O-N 2.97Å; N163-D178 PolarHBondContact ND2-OD2 2.94Å; D178-V180 PolarHBondContact O-N 2.82Å
179Q95.7Very high91.4Very high140 Ų14066.7 Ų66.765%0.65435%0.347SS*.PPolyproline II helixtrans-65120.3173.9-177.8173.7-28.300110.4K181 Y192 T212Q179-K181 PolarHBondContact O-N 2.93Å; Q179-Y192 WeakPolarHBondContact CA-OH 3.4Å; Q179-T212 HydrophobicContact CB-CG2 3.89Å
180V96.9Very high92.5Very high9 Ų970.4 Ų70.46%0.05536%0.359CS..PPolyproline II helixtrans-67.4131.1170178.10000108.8P157 Q159 P161 D178 V189 Y192 P230P157-V180 HydrophobicContact CB-CG1 3.84Å; Q159-V180 HydrophobicContact CB-CG1 4.43Å; P161-V180 HydrophobicContact CB-CG2 4.14Å; P161-V180 HydrophobicContact CG-CG2 4.09Å; D178-V180 PolarHBondContact O-N 2.82Å; V180-V189 HydrophobicContact CB-CG2 4.09Å; V180-V189 HydrophobicContact CG1-CG2 4.02Å; V180-V189 WeakPolarHBondContact O-CG2 3.45Å; V180-Y192 HydrophobicContact CB-CE1 4.29Å; V180-Y192 HydrophobicContact CG2-CE1 3.85Å; V180-Y192 PolarHBondContact N-OH 3.16Å; V180-P230 HydrophobicContact CG1-CG 4.38Å; V180-P230 HydrophobicContact CG2-CB 4.48Å; V180-P230 HydrophobicContact CG2-CG 4.39Å
181K94.4Very high93.8Very high161 Ų16164.8 Ų64.870%0.733%0.329SS*.  trans-104.7122.1173.5-64.7-176.7-178.31790108.5Q179Q179-K181 PolarHBondContact O-N 2.93Å
182A95.3Very high95Very high37 Ų3762.4 Ų62.431%0.30631%0.312SS..  trans-68.7142.5174.300000110.2E186 S187A182-E186 HydrophobicContact CB-CB 4.13Å; A182-S187 WeakPolarHBondContact CB-O 3.49Å
183L95.7Very high95.6Very high82 Ų8260.3 Ų60.343%0.42930%0.303SS..  trans-72.8163168.3-60.5176.4000110.6N185 E186L183-N185 VanDerWaalsContact CB-OD1 3.26Å; L183-N185 WeakPolarHBondContact CB-OD1 3.4Å; L183-N185 PolarHBondContact O-N 3.22Å; L183-N185 VanDerWaalsContact O-N 3.1Å; L183-E186 HydrophobicContact CB-CG 4.11Å; L183-E186 PolarHBondContact N-OE2 3.17Å; L183-E186 WeakPolarHBondContact O-CB 3.42Å; L183-E186 PolarHBondContact O-N 3.07Å
184D94.8Very high96Very high157 Ų15759.9 Ų59.984%0.8430%0.301SS*.THydrogen-bonded Turntrans-57.9-29.6-178.7-68.4-25000113.5K154K154-D184 PolarHBondContact NZ-O 3.48Å
185N95.7Very high96.2Very high102 Ų10259 Ų5955%0.54530%0.296SS..THydrogen-bonded Turntrans-88.21.3178.365.3-17.5000113.8P155 L183P155-N185 VanDerWaalsContact CD-O 3.31Å; P155-N185 WeakPolarHBondContact CD-O 3.43Å; P155-N185 WeakPolarHBondContact CG-O 3.35Å; L183-N185 VanDerWaalsContact CB-OD1 3.26Å; L183-N185 WeakPolarHBondContact CB-OD1 3.4Å; L183-N185 PolarHBondContact O-N 3.22Å; L183-N185 VanDerWaalsContact O-N 3.1Å
186E97.1Very high96Very high14 Ų1461.2 Ų61.27%0.06531%0.305CS..SBendtrans-108.1162.1-179.2-66.4173.4161.400111.8K154 P155 P157 S158 A182 L183K154-E186 WeakPolarHBondContact CD-O 3.46Å; P155-E186 HydrophobicContact CG-CG 4.44Å; P155-E186 CarbonylContact O-C 3.51Å; P155-E186 WeakPolarHBondContact O-CA 3.13Å; P157-E186 WeakPolarHBondContact CA-OE2 3.43Å; S158-E186 WeakPolarHBondContact CB-OE1 3.48Å; S158-E186 PolarHBondContact N-OE1 3.16Å; S158-E186 PolarHBondContact OG-OE1 3.11Å; A182-E186 HydrophobicContact CB-CB 4.13Å; L183-E186 HydrophobicContact CB-CG 4.11Å; L183-E186 PolarHBondContact N-OE2 3.17Å; L183-E186 WeakPolarHBondContact O-CB 3.42Å; L183-E186 PolarHBondContact O-N 3.07Å
187S96.9Very high95.8Very high12 Ų1261.7 Ų61.78%0.08430%0.302CS..PPolyproline II helixtrans-77.6137.4171.6-77.30000110.1K154 P155 A182 S232 G234K154-S187 WeakPolarHBondContact CB-OG 2.93Å; K154-S187 PolarHBondContact O-OG 2.8Å; P155-S187 PolarHBondContact O-N 3.47Å; A182-S187 WeakPolarHBondContact CB-O 3.49Å; S187-S232 VanDerWaalsContact CB-OG 3.24Å; S187-S232 WeakPolarHBondContact CB-OG 3.35Å; S187-G234 PolarHBondContact OG-N 3.13Å
188E96.9Very high95.2Very high162 Ų16264.2 Ų64.276%0.75731%0.312SS*.PPolyproline II helixtrans-57.8136.8178-172.3176.5-166.100112.1K190 S232E188-K190 PolarHBondContact O-N 3.47Å; E188-S232 WeakPolarHBondContact O-CB 3.3Å
189V97.1Very high94Very high28 Ų2865.2 Ų65.217%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-63.8122.1178.2179.60000109.3P157 V180 Y192 P230P157-V189 HydrophobicContact CB-CG2 4.29Å; P157-V189 HydrophobicContact CG-CG2 3.48Å; P157-V189 VanDerWaalsContact CG-CG2 3.48Å; V180-V189 HydrophobicContact CB-CG2 4.09Å; V180-V189 HydrophobicContact CG1-CG2 4.02Å; V180-V189 WeakPolarHBondContact O-CG2 3.45Å; V189-Y192 HydrophobicContact CG1-CE2 4.37Å; V189-P230 HydrophobicContact CG1-CB 4.12Å; V189-P230 HydrophobicContact CG2-CB 4.38Å
190K96.9Very high92.9Very high110 Ų11068.4 Ų68.448%0.47832%0.323SS..EExtended strand (participates in β ladder)trans-94.1-23.1174.3-70.7-167.1168.6-177.30113.1E188 F231 D233E188-K190 PolarHBondContact O-N 3.47Å; K190-F231 HydrophobicContact CB-CD2 4.14Å; K190-F231 HydrophobicContact CB-CE2 3.74Å; K190-F231 HydrophobicContact CB-CZ 4.35Å; K190-F231 PolarHBondContact N-O 2.85Å; K190-D233 WeakPolarHBondContact CE-OD1 3.42Å; K190-D233 WeakPolarHBondContact CE-OD2 3.44Å; K190-D233 IonicContact NZ-OD1 2.59Å; K190-D233 PolarHBondContact NZ-OD1 3.07Å; K190-D233 IonicContact NZ-OD2 2.8Å; K190-D233 PolarHBondContact NZ-OD2 2.95Å
191G97.1Very high91.6Very high1 Ų172 Ų721%0.0134%0.339CS..EExtended strand (participates in β ladder)trans170.3-161178.300000111.7T209 P230 F231G191-T209 CarbonylContact C-O 3.58Å; G191-T209 VanDerWaalsContact CA-O 3.24Å; G191-T209 WeakPolarHBondContact CA-O 3.47Å; G191-P230 CarbonylContact O-C 3.53Å; G191-P230 VanDerWaalsContact O-CA 3.32Å; G191-P230 WeakPolarHBondContact O-CA 3.1Å; G191-F231 VanDerWaalsContact CA-CE1 3.46Å; G191-F231 PolarHBondContact N-O 3.16Å; G191-F231 WeakPolarHBondContact O-CD1 3.38Å; G191-F231 PolarHBondContact O-N 3.22Å
192Y97.9Very high90.4Very high5 Ų570.2 Ų70.22%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-131.2143.3-176.7-57.7-89.4000110.7P161 W177 Q179 V180 V189 E208 T209 K211 T212 I228 K229 P230P161-Y192 HydrophobicContact CB-CE1 4.47Å; P161-Y192 HydrophobicContact CG-CD1 4.05Å; P161-Y192 HydrophobicContact CG-CE1 4.09Å; W177-Y192 AromaticContact CD1-CE1 3.85Å; W177-Y192 AromaticContact CE2-CD2 3.97Å; W177-Y192 AromaticContact CE2-CG 3.79Å; W177-Y192 HydrophobicContact CZ2-CD1 4.43Å; W177-Y192 AromaticContact CZ2-CD2 3.9Å; W177-Y192 HydrophobicContact CZ2-CD2 3.9Å; W177-Y192 AromaticContact CZ2-CG 3.75Å; W177-Y192 HydrophobicContact CZ2-CG 3.75Å; W177-Y192 AromaticContact NE1-CD1 3.26Å; W177-Y192 VanDerWaalsContact NE1-CD1 3.26Å; W177-Y192 AromaticContact NE1-CD2 3.41Å; W177-Y192 AromaticContact NE1-CE1 3.36Å; W177-Y192 AromaticContact NE1-CE2 3.52Å; W177-Y192 AromaticContact NE1-CG 3.3Å; W177-Y192 VanDerWaalsContact NE1-CG 3.3Å; W177-Y192 AromaticContact NE1-CZ 3.51Å; Q179-Y192 WeakPolarHBondContact CA-OH 3.4Å; V180-Y192 HydrophobicContact CB-CE1 4.29Å; V180-Y192 HydrophobicContact CG2-CE1 3.85Å; V180-Y192 PolarHBondContact N-OH 3.16Å; V189-Y192 HydrophobicContact CG1-CE2 4.37Å; Y192-E208 WeakPolarHBondContact O-CA 3.19Å; Y192-T209 PolarHBondContact N-O 2.85Å; Y192-T209 PolarHBondContact O-N 3.32Å; Y192-K211 WeakPolarHBondContact CD2-O 3.11Å; Y192-T212 HydrophobicContact CE2-CG2 4.03Å; Y192-I228 HydrophobicContact CD1-CG2 4.27Å; Y192-K229 CarbonylContact C-O 3.48Å; Y192-K229 VanDerWaalsContact CA-O 3.3Å; Y192-K229 WeakPolarHBondContact CA-O 3.41Å; Y192-P230 HydrophobicContact CD1-CB 4.1Å; Y192-P230 HydrophobicContact CE1-CB 3.99Å
193K97.4Very high89.7Confident39 Ų3971.5 Ų71.517%0.1735%0.354CS..EExtended strand (participates in β ladder)trans-103.6123.5167.4-63.4-179.1176.2176.20107.9L195 V206 I207 E208 I228 K229 F231 D236K193-L195 HydrophobicContact CB-CD1 4.11Å; K193-V206 HydrophobicContact CB-CG1 4.07Å; K193-V206 HydrophobicContact CG-CG1 4.4Å; K193-I207 CarbonylContact C-O 3.59Å; K193-I207 WeakPolarHBondContact CA-O 3.38Å; K193-E208 WeakPolarHBondContact CE-OE1 3.14Å; K193-E208 HydrophobicContact CG-CG 4.2Å; K193-E208 IonicContact NZ-OE1 2.76Å; K193-I228 WeakPolarHBondContact O-CA 3.24Å; K193-K229 HydrophobicContact CB-CG 3.94Å; K193-K229 PolarHBondContact N-O 2.99Å; K193-K229 PolarHBondContact O-N 2.82Å; K193-F231 HydrophobicContact CD-CB 4.45Å; K193-F231 HydrophobicContact CG-CB 4.45Å; K193-F231 HydrophobicContact CG-CD1 3.87Å; K193-F231 HydrophobicContact CG-CG 4.46Å; K193-D236 WeakPolarHBondContact CE-OD1 3.19Å; K193-D236 IonicContact NZ-OD1 2.81Å; K193-D236 PolarHBondContact NZ-OD1 2.67Å; K193-D236 IonicContact NZ-OD2 3.26Å
194V96.5Very high89.4Confident0 Ų070.9 Ų70.90%035%0.354CS..EExtended strand (participates in β ladder)trans-103110.6174.2-177.90000107.4L175 W177 V206 I207 V214 L216 I226 I228L175-V194 HydrophobicContact CD1-CG1 4.04Å; W177-V194 HydrophobicContact CH2-CG2 3.87Å; W177-V194 HydrophobicContact CZ3-CG2 4.39Å; V194-V206 WeakPolarHBondContact O-CA 3.36Å; V194-I207 PolarHBondContact N-O 2.65Å; V194-I207 PolarHBondContact O-N 2.84Å; V194-V214 HydrophobicContact CB-CG1 4.36Å; V194-V214 HydrophobicContact CG1-CG1 4.14Å; V194-V214 HydrophobicContact CG2-CB 4.41Å; V194-V214 HydrophobicContact CG2-CG1 3.83Å; V194-L216 HydrophobicContact CG1-CD1 4.4Å; V194-I226 HydrophobicContact CG1-CG2 3.8Å; V194-I228 HydrophobicContact CG1-CG1 4.48Å; V194-I228 HydrophobicContact CG2-CG1 4.37Å; V194-I228 HydrophobicContact CG2-CG2 4.24Å
195L94.9Very high89.3Confident25 Ų2565.6 Ų65.613%0.13133%0.329CS..EExtended strand (participates in β ladder)trans-98.4126.2179.9-62.491000107.5K193 T204 S205 V206 I226 E227 K229K193-L195 HydrophobicContact CB-CD1 4.11Å; L195-T204 HydrophobicContact CB-CG2 3.78Å; L195-T204 HydrophobicContact CD2-CG2 4.04Å; L195-T204 HydrophobicContact CG-CG2 4.36Å; L195-S205 CarbonylContact C-O 3.59Å; L195-S205 VanDerWaalsContact CA-O 3.31Å; L195-S205 WeakPolarHBondContact CA-O 3.46Å; L195-V206 HydrophobicContact CD2-CG2 4.19Å; L195-V206 HydrophobicContact CG-CG2 4.1Å; L195-I226 CarbonylContact O-C 3.57Å; L195-I226 VanDerWaalsContact O-CA 3.28Å; L195-I226 WeakPolarHBondContact O-CA 3.47Å; L195-E227 HydrophobicContact CB-CB 4.3Å; L195-E227 PolarHBondContact N-O 2.95Å; L195-E227 PolarHBondContact O-N 2.65Å; L195-K229 HydrophobicContact CD1-CD 4.18Å; L195-K229 HydrophobicContact CD1-CG 3.89Å
196Y91.6Very high89.3Confident47 Ų4764.4 Ų64.418%0.18433%0.325CS..EExtended strand (participates in β ladder)trans-136.8144177.467.3-84000111S205 I207 L218 I225Y196-S205 VanDerWaalsContact CE1-CB 3.46Å; Y196-S205 PolarHBondContact N-O 3.18Å; Y196-S205 PolarHBondContact O-N 3.2Å; Y196-S205 WeakPolarHBondContact OH-CB 3.11Å; Y196-I207 HydrophobicContact CD1-CD1 4.34Å; Y196-I207 HydrophobicContact CE1-CD1 3.55Å; Y196-I207 HydrophobicContact CE1-CG1 4.01Å; Y196-L218 HydrophobicContact CD2-CD1 3.99Å; Y196-L218 HydrophobicContact CD2-CD2 3.9Å; Y196-L218 HydrophobicContact CE2-CD1 4.34Å; Y196-L218 HydrophobicContact CE2-CD2 3.45Å; Y196-L218 VanDerWaalsContact CE2-CD2 3.45Å; Y196-L218 HydrophobicContact CG-CD1 4.46Å; Y196-I225 WeakPolarHBondContact CA-O 3.19Å
197R90.5Very high89.2Confident74 Ų7466.2 Ų66.228%0.27934%0.335SS..EExtended strand (participates in β ladder)trans-147.1150.4174.662.3-171.9179.398.4-0.4108.6Y224 I225R197-Y224 WeakPolarHBondContact O-CA 3.13Å; R197-I225 HydrophobicContact CG-CB 4.13Å; R197-I225 PolarHBondContact N-O 2.69Å; R197-I225 PolarHBondContact O-N 3.21Å
198W84.2Confident89.2Confident63 Ų6371.5 Ų71.524%0.23936%0.358CS..EExtended strand (participates in β ladder)trans-101.4153171.259.3-66.1000110.3R200 Q201 E222 D223 Y224W198-R200 HydrophobicContact CE3-CB 3.91Å; W198-R200 HydrophobicContact CH2-CB 4.34Å; W198-R200 HydrophobicContact CZ3-CB 3.76Å; W198-R200 HydrophobicContact CZ3-CG 4.38Å; W198-R200 PolarHBondContact O-N 2.96Å; W198-Q201 HydrophobicContact CD2-CB 4.42Å; W198-Q201 HydrophobicContact CD2-CG 4.34Å; W198-Q201 VanDerWaalsContact CE2-CG 3.41Å; W198-Q201 HydrophobicContact CG-CB 4.38Å; W198-Q201 HydrophobicContact CZ2-CB 4.49Å; W198-Q201 HydrophobicContact CZ2-CG 3.56Å; W198-Q201 VanDerWaalsContact CZ2-NE2 3.32Å; W198-Q201 VanDerWaalsContact NE1-CG 3.25Å; W198-Q201 PolarHBondContact O-N 3.22Å; W198-E222 HydrophobicContact CB-CB 4.27Å; W198-E222 HydrophobicContact CD2-CB 4.49Å; W198-E222 HydrophobicContact CD2-CG 4.29Å; W198-E222 HydrophobicContact CE3-CB 3.97Å; W198-E222 HydrophobicContact CE3-CG 3.54Å; W198-E222 VanDerWaalsContact CE3-OE2 3.25Å; W198-E222 HydrophobicContact CZ3-CG 3.83Å; W198-E222 VanDerWaalsContact CZ3-OE1 3.23Å; W198-E222 WeakPolarHBondContact CZ3-OE1 3.34Å; W198-E222 WeakPolarHBondContact CZ3-OE2 3.29Å; W198-D223 CarbonylContact C-O 3.53Å; W198-D223 WeakPolarHBondContact CA-O 3.43Å; W198-D223 WeakPolarHBondContact CB-O 3.21Å; W198-Y224 HydrophobicContact CB-CD1 3.93Å; W198-Y224 HydrophobicContact CB-CE1 3.83Å; W198-Y224 HydrophobicContact CG-CE1 4.44Å
199N70.1Confident89.1Confident101 Ų10164.9 Ų64.954%0.5433%0.329SS..THydrogen-bonded Turntrans-57-27.3-162.1-162.417.6000114.4D223N199-D223 HydrophobicContact CB-CB 4.29Å; N199-D223 PolarHBondContact N-O 2.86Å
200R72.3Confident89.1Confident208 Ų20869.7 Ų69.779%0.78535%0.354SS*.THydrogen-bonded Turntrans-89.9-12.7-179.9-68.4180159.5-176.1-4.7114.7W198W198-R200 HydrophobicContact CE3-CB 3.91Å; W198-R200 HydrophobicContact CH2-CB 4.34Å; W198-R200 HydrophobicContact CZ3-CB 3.76Å; W198-R200 HydrophobicContact CZ3-CG 4.38Å; W198-R200 PolarHBondContact O-N 2.96Å
201Q69.8Low89.1Confident83 Ų8371.1 Ų71.139%0.38836%0.36SS..  trans-101.3137.7177.2-88.4-174.32.100112.3W198 S203W198-Q201 HydrophobicContact CD2-CB 4.42Å; W198-Q201 HydrophobicContact CD2-CG 4.34Å; W198-Q201 VanDerWaalsContact CE2-CG 3.41Å; W198-Q201 HydrophobicContact CG-CB 4.38Å; W198-Q201 HydrophobicContact CZ2-CB 4.49Å; W198-Q201 HydrophobicContact CZ2-CG 3.56Å; W198-Q201 VanDerWaalsContact CZ2-NE2 3.32Å; W198-Q201 VanDerWaalsContact NE1-CG 3.25Å; W198-Q201 PolarHBondContact O-N 3.22Å; Q201-S203 PolarHBondContact OE1-OG 2.96Å
202S68.9Low89Confident125 Ų12573.5 Ų73.587%0.87437%0.374SS*.  trans-81.5-18.1172.1520000113.2
203S81.6Confident88.9Confident63 Ų6375.4 Ų75.444%0.44139%0.388SS..PPolyproline II helixtrans-84.8122.8-178.6530000112.2Q201Q201-S203 PolarHBondContact OE1-OG 2.96Å
204T90.1Very high88.8Confident70 Ų7074.4 Ų74.443%0.42939%0.385SS..PPolyproline II helixtrans-87.1128.9171.5-57.90000110.4L195L195-T204 HydrophobicContact CB-CG2 3.78Å; L195-T204 HydrophobicContact CD2-CG2 4.04Å; L195-T204 HydrophobicContact CG-CG2 4.36Å
205S91.4Very high88.6Confident45 Ų4579.1 Ų79.132%0.31541%0.407SS..EExtended strand (participates in β ladder)trans-93.7147.2171-64.60000110.3L195 Y196L195-S205 CarbonylContact C-O 3.59Å; L195-S205 VanDerWaalsContact CA-O 3.31Å; L195-S205 WeakPolarHBondContact CA-O 3.46Å; Y196-S205 VanDerWaalsContact CE1-CB 3.46Å; Y196-S205 PolarHBondContact N-O 3.18Å; Y196-S205 PolarHBondContact O-N 3.2Å; Y196-S205 WeakPolarHBondContact OH-CB 3.11Å
206V95.1Very high88.3Confident78 Ų7878 Ų7847%0.47340%0.402SS..EExtended strand (participates in β ladder)trans-128.6132.7-176.9-173.60000110K193 V194 L195K193-V206 HydrophobicContact CB-CG1 4.07Å; K193-V206 HydrophobicContact CG-CG1 4.4Å; V194-V206 WeakPolarHBondContact O-CA 3.36Å; L195-V206 HydrophobicContact CD2-CG2 4.19Å; L195-V206 HydrophobicContact CG-CG2 4.1Å
207I95.3Very high88.1Confident52 Ų5280 Ų8027%0.26742%0.423SS..EExtended strand (participates in β ladder)trans-120136170.9-68.6161.4000108.6K193 V194 Y196 V214 L216K193-I207 CarbonylContact C-O 3.59Å; K193-I207 WeakPolarHBondContact CA-O 3.38Å; V194-I207 PolarHBondContact N-O 2.65Å; V194-I207 PolarHBondContact O-N 2.84Å; Y196-I207 HydrophobicContact CD1-CD1 4.34Å; Y196-I207 HydrophobicContact CE1-CD1 3.55Å; Y196-I207 HydrophobicContact CE1-CG1 4.01Å; I207-V214 HydrophobicContact CG2-CG2 4.03Å; I207-L216 HydrophobicContact CD1-CD2 3.26Å
208E96.9Very high87.5Confident122 Ų12277.3 Ų77.357%0.5741%0.413SS*.EExtended strand (participates in β ladder)trans-103.5137174.1-54.1-164.1160.100110.3Y192 K193 F231Y192-E208 WeakPolarHBondContact O-CA 3.19Å; K193-E208 WeakPolarHBondContact CE-OE1 3.14Å; K193-E208 HydrophobicContact CG-CG 4.2Å; K193-E208 IonicContact NZ-OE1 2.76Å; E208-F231 HydrophobicContact CB-CE1 4.5Å
209T96.4Very high86.9Confident24 Ų2477.6 Ų77.615%0.14742%0.424CS..EExtended strand (participates in β ladder)trans-142.8146.3175.7179.60000109.9W177 G191 Y192 K211W177-T209 HydrophobicContact CH2-CG2 3.96Å; W177-T209 HydrophobicContact CZ2-CG2 3.92Å; G191-T209 CarbonylContact C-O 3.58Å; G191-T209 VanDerWaalsContact CA-O 3.24Å; G191-T209 WeakPolarHBondContact CA-O 3.47Å; Y192-T209 PolarHBondContact N-O 2.85Å; Y192-T209 PolarHBondContact O-N 3.32Å; T209-K211 WeakPolarHBondContact CG2-O 3.35Å; T209-K211 PolarHBondContact OG1-N 3.06Å; T209-K211 VanDerWaalsContact OG1-N 3.11Å
210N95.8Very high86.8Confident128 Ų12878.6 Ų78.668%0.68442%0.423SS*.SBendtrans-93.91.1170.865.4-7.2000112.7
211K96.1Very high86.7Confident140 Ų14072 Ų7261%0.60940%0.404SS*.SBendtrans-100.3163.7177.8-59.7-179-177.2176.70110.4W177 Y192 T209 S213W177-K211 WeakPolarHBondContact CZ2-O 3.04Å; Y192-K211 WeakPolarHBondContact CD2-O 3.11Å; T209-K211 WeakPolarHBondContact CG2-O 3.35Å; T209-K211 PolarHBondContact OG1-N 3.06Å; T209-K211 VanDerWaalsContact OG1-N 3.11Å; K211-S213 PolarHBondContact O-N 2.87Å
212T96.1Very high87.1Confident51 Ų5170.3 Ų70.331%0.31340%0.396SS..SBendtrans-86.722.9172.355.10000113.4N176 W177 Q179 Y192N176-T212 WeakPolarHBondContact CA-O 3.18Å; W177-T212 PolarHBondContact N-O 2.68Å; W177-T212 VanDerWaalsContact O-CB 3.27Å; W177-T212 WeakPolarHBondContact O-CB 3.41Å; Q179-T212 HydrophobicContact CB-CG2 3.89Å; Y192-T212 HydrophobicContact CE2-CG2 4.03Å
213S95.5Very high87.9Confident45 Ų4567.6 Ų67.632%0.31537%0.372SS..EExtended strand (participates in β ladder)trans-147.7151.6175.665.90000111.8L175 N176 K211L175-S213 CarbonylContact O-C 3.58Å; L175-S213 WeakPolarHBondContact O-CA 3.34Å; L175-S213 WeakPolarHBondContact O-CB 3.24Å; N176-S213 VanDerWaalsContact OD1-CB 3.24Å; N176-S213 WeakPolarHBondContact OD1-CB 3.27Å; K211-S213 PolarHBondContact O-N 2.87Å
214V95.2Very high88.2Confident18 Ų1865.1 Ų65.111%0.10935%0.353CS..EExtended strand (participates in β ladder)trans-142.6146.1171.574.30000110.4I174 L175 W177 V194 I207 L216I174-V214 WeakPolarHBondContact CA-O 3.49Å; L175-V214 HydrophobicContact CB-CG1 3.94Å; L175-V214 HydrophobicContact CD1-CG1 3.76Å; L175-V214 HydrophobicContact CG-CG1 4.45Å; L175-V214 PolarHBondContact N-O 2.9Å; L175-V214 PolarHBondContact O-N 2.81Å; W177-V214 HydrophobicContact CH2-CB 4.14Å; W177-V214 HydrophobicContact CH2-CG1 4.14Å; W177-V214 HydrophobicContact CZ3-CB 4.41Å; W177-V214 HydrophobicContact CZ3-CG1 4.05Å; V194-V214 HydrophobicContact CB-CG1 4.36Å; V194-V214 HydrophobicContact CG1-CG1 4.14Å; V194-V214 HydrophobicContact CG2-CB 4.41Å; V194-V214 HydrophobicContact CG2-CG1 3.83Å; I207-V214 HydrophobicContact CG2-CG2 4.03Å; V214-L216 HydrophobicContact CG1-CD2 4.02Å; V214-L216 HydrophobicContact CG1-CG 4.12Å; V214-L216 HydrophobicContact CG2-CD2 3.94Å
215E92.8Very high88.2Confident99 Ų9962.2 Ų62.246%0.46333%0.334SS..EExtended strand (participates in β ladder)trans-109.8121169.9-176.8-179.7133.800108.7K172 I174K172-E215 HydrophobicContact CB-CG 4.41Å; K172-E215 HydrophobicContact CD-CG 4.4Å; K172-E215 WeakPolarHBondContact CD-OE1 3.45Å; K172-E215 WeakPolarHBondContact CE-OE1 3.1Å; K172-E215 IonicContact NZ-OE1 2.65Å; K172-E215 PolarHBondContact NZ-OE1 3.11Å; I174-E215 HydrophobicContact CG1-CB 4.39Å; I174-E215 HydrophobicContact CG1-CG 4.07Å
216L89.1Confident88.3Confident3 Ų360.1 Ų60.12%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-106.3119.6179.8-53.4179.2000108.8K172 I173 L175 V194 I207 V214 L218 I226K172-L216 CarbonylContact C-O 3.59Å; K172-L216 WeakPolarHBondContact CA-O 3.36Å; I173-L216 HydrophobicContact CB-CB 4.29Å; I173-L216 PolarHBondContact N-O 2.99Å; I173-L216 PolarHBondContact O-N 2.77Å; L175-L216 HydrophobicContact CD1-CD1 3.69Å; L175-L216 HydrophobicContact CD1-CG 4.34Å; V194-L216 HydrophobicContact CG1-CD1 4.4Å; I207-L216 HydrophobicContact CD1-CD2 3.26Å; V214-L216 HydrophobicContact CG1-CD2 4.02Å; V214-L216 HydrophobicContact CG1-CG 4.12Å; V214-L216 HydrophobicContact CG2-CD2 3.94Å; L216-L218 HydrophobicContact CB-CD1 3.75Å; L216-L218 HydrophobicContact CB-CG 3.85Å; L216-L218 HydrophobicContact CD1-CD1 3.85Å; L216-L218 HydrophobicContact CG-CD1 4.43Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-I226 HydrophobicContact CD1-CD1 3.75Å
217S86.2Confident88.3Confident89 Ų8958.8 Ų58.862%0.62231%0.308SS*.  trans-85.781.4172.5-62.80000109.2
218L78.5Confident88.3Confident16 Ų1656.3 Ų56.38%0.08430%0.296CS..  trans-112.3140.3-176.1-64.9173.3000110.5S171 I173 Y196 L216 Y224S171-L218 CarbonylContact C-O 3.52Å; S171-L218 PolarHBondContact O-N 2.94Å; I173-L218 HydrophobicContact CD1-CB 4.34Å; I173-L218 HydrophobicContact CD1-CD1 4.11Å; Y196-L218 HydrophobicContact CD2-CD1 3.99Å; Y196-L218 HydrophobicContact CD2-CD2 3.9Å; Y196-L218 HydrophobicContact CE2-CD1 4.34Å; Y196-L218 HydrophobicContact CE2-CD2 3.45Å; Y196-L218 VanDerWaalsContact CE2-CD2 3.45Å; Y196-L218 HydrophobicContact CG-CD1 4.46Å; L216-L218 HydrophobicContact CB-CD1 3.75Å; L216-L218 HydrophobicContact CB-CG 3.85Å; L216-L218 HydrophobicContact CD1-CD1 3.85Å; L216-L218 HydrophobicContact CG-CD1 4.43Å; L216-L218 PolarHBondContact O-N 3.45Å; L218-Y224 HydrophobicContact CB-CE1 4.17Å; L218-Y224 HydrophobicContact CB-CE2 4.21Å; L218-Y224 HydrophobicContact CD1-CD1 3.87Å; L218-Y224 HydrophobicContact CD1-CE1 3.9Å; L218-Y224 HydrophobicContact CD1-CG 4.28Å; L218-Y224 HydrophobicContact CD2-CE1 4.06Å; L218-Y224 HydrophobicContact CG-CE1 4.25Å
219P72.4Confident88.3Confident70 Ų7052.5 Ų52.546%0.45528%0.277SS..  trans-50.1140.3167.5-25.532.6000111.2D221 Y224P219-D221 VanDerWaalsContact C-N 3.34Å; P219-D221 WeakPolarHBondContact CB-OD1 3.16Å; P219-Y224 WeakPolarHBondContact CD-OH 3.44Å; P219-Y224 WeakPolarHBondContact O-CE2 3.46Å; P219-Y224 PolarHBondContact O-OH 3.4Å; P219-Y224 VanDerWaalsContact O-OH 3.09Å
220F66.9Low88.4Confident122 Ų12251.4 Ų51.454%0.53527%0.27SS..SBendtrans-89.1-4.5-17754.7-95.4000113E222 I248F220-E222 VanDerWaalsContact C-N 3.35Å; F220-I248 HydrophobicContact CB-CB 4.46Å; F220-I248 WeakPolarHBondContact CD2-O 3.45Å; F220-I248 PolarHBondContact O-N 3.03Å
221D69.8Low88.4Confident70 Ų7047.2 Ų47.237%0.37425%0.246SC..SBendtrans-89.93.8-170.466-33.8000114.2P219 K247P219-D221 VanDerWaalsContact C-N 3.34Å; P219-D221 WeakPolarHBondContact CB-OD1 3.16Å; D221-K247 WeakPolarHBondContact O-CD 3.43Å; D221-K247 VanDerWaalsContact O-CE 3.25Å; D221-K247 WeakPolarHBondContact O-CE 3.45Å; D221-K247 PolarHBondContact O-NZ 2.87Å
222E79.8Confident88.5Confident46 Ų4641 Ų4122%0.21522%0.22CC..SBendtrans-128.5156.2-176.6-66.3-66.2172.900112.3W198 F220 Y224W198-E222 HydrophobicContact CB-CB 4.27Å; W198-E222 HydrophobicContact CD2-CB 4.49Å; W198-E222 HydrophobicContact CD2-CG 4.29Å; W198-E222 HydrophobicContact CE3-CB 3.97Å; W198-E222 HydrophobicContact CE3-CG 3.54Å; W198-E222 VanDerWaalsContact CE3-OE2 3.25Å; W198-E222 HydrophobicContact CZ3-CG 3.83Å; W198-E222 VanDerWaalsContact CZ3-OE1 3.23Å; W198-E222 WeakPolarHBondContact CZ3-OE1 3.34Å; W198-E222 WeakPolarHBondContact CZ3-OE2 3.29Å; F220-E222 VanDerWaalsContact C-N 3.35Å; E222-Y224 HydrophobicContact CB-CE2 4.02Å; E222-Y224 WeakPolarHBondContact O-CD2 3.3Å; E222-Y224 WeakPolarHBondContact O-CE2 3.14Å
223D85.4Confident88.5Confident69 Ų6941.7 Ų41.737%0.36922%0.222SC..  trans-85.7124.1173.8-62.5-52.3000110.7W198 N199 P246 K247W198-D223 CarbonylContact C-O 3.53Å; W198-D223 WeakPolarHBondContact CA-O 3.43Å; W198-D223 WeakPolarHBondContact CB-O 3.21Å; N199-D223 HydrophobicContact CB-CB 4.29Å; N199-D223 PolarHBondContact N-O 2.86Å; D223-P246 VanDerWaalsContact OD1-CA 3.31Å; D223-P246 WeakPolarHBondContact OD1-CA 3.35Å; D223-K247 PolarHBondContact OD1-N 2.76Å
224Y87.3Confident88.5Confident11 Ų1139.6 Ų39.64%0.04321%0.208CC..EExtended strand (participates in β ladder)trans-105.6141.8179.2-65.6-87000112.5I173 R197 W198 L218 P219 E222 R244 I245I173-Y224 HydrophobicContact CD1-CD2 4.34Å; R197-Y224 WeakPolarHBondContact O-CA 3.13Å; W198-Y224 HydrophobicContact CB-CD1 3.93Å; W198-Y224 HydrophobicContact CB-CE1 3.83Å; W198-Y224 HydrophobicContact CG-CE1 4.44Å; L218-Y224 HydrophobicContact CB-CE1 4.17Å; L218-Y224 HydrophobicContact CB-CE2 4.21Å; L218-Y224 HydrophobicContact CD1-CD1 3.87Å; L218-Y224 HydrophobicContact CD1-CE1 3.9Å; L218-Y224 HydrophobicContact CD1-CG 4.28Å; L218-Y224 HydrophobicContact CD2-CE1 4.06Å; L218-Y224 HydrophobicContact CG-CE1 4.25Å; P219-Y224 WeakPolarHBondContact CD-OH 3.44Å; P219-Y224 WeakPolarHBondContact O-CE2 3.46Å; P219-Y224 PolarHBondContact O-OH 3.4Å; P219-Y224 VanDerWaalsContact O-OH 3.09Å; E222-Y224 HydrophobicContact CB-CE2 4.02Å; E222-Y224 WeakPolarHBondContact O-CD2 3.3Å; E222-Y224 WeakPolarHBondContact O-CE2 3.14Å; Y224-R244 WeakPolarHBondContact O-CA 3.35Å; Y224-I245 PolarHBondContact N-O 3.22Å; Y224-I245 PolarHBondContact O-N 2.92Å
225I90.8Very high88.5Confident9 Ų939.9 Ų39.95%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-111.8123.5166.9-60.7173.3000106.8Y196 R197 Q242 I243 R244Y196-I225 WeakPolarHBondContact CA-O 3.19Å; R197-I225 HydrophobicContact CG-CB 4.13Å; R197-I225 PolarHBondContact N-O 2.69Å; R197-I225 PolarHBondContact O-N 3.21Å; I225-Q242 HydrophobicContact CG2-CB 4.04Å; I225-Q242 HydrophobicContact CG2-CG 3.87Å; I225-I243 CarbonylContact C-O 3.58Å; I225-I243 WeakPolarHBondContact CA-O 3.41Å; I225-R244 HydrophobicContact CG1-CG 4.49Å
226I92.3Very high88.7Confident0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-121.4136.8-178.6-54.2-172.3000109.7I173 L175 V194 L195 L216 I228 I243 I245I173-I226 HydrophobicContact CG2-CD1 4.46Å; L175-I226 HydrophobicContact CD1-CD1 3.87Å; L175-I226 HydrophobicContact CD1-CG2 3.9Å; V194-I226 HydrophobicContact CG1-CG2 3.8Å; L195-I226 CarbonylContact O-C 3.57Å; L195-I226 VanDerWaalsContact O-CA 3.28Å; L195-I226 WeakPolarHBondContact O-CA 3.47Å; L216-I226 HydrophobicContact CD1-CD1 3.75Å; I226-I228 HydrophobicContact CG2-CG1 4.36Å; I226-I243 HydrophobicContact CB-CB 4.31Å; I226-I243 PolarHBondContact N-O 3.02Å; I226-I243 WeakPolarHBondContact O-CB 3.32Å; I226-I243 PolarHBondContact O-N 2.76Å; I226-I245 HydrophobicContact CD1-CD1 3.57Å; I226-I245 HydrophobicContact CD1-CG1 4.42Å; I226-I245 HydrophobicContact CG1-CD1 4.42Å
227E95.2Very high89Confident51 Ų5138.9 Ų38.924%0.23822%0.215CC..EExtended strand (participates in β ladder)trans-129.3138.5173.6-70.5172.5170.700108.3L195 Q242L195-E227 HydrophobicContact CB-CB 4.3Å; L195-E227 PolarHBondContact N-O 2.95Å; L195-E227 PolarHBondContact O-N 2.65Å; E227-Q242 HydrophobicContact CG-CG 3.8Å; E227-Q242 WeakPolarHBondContact OE1-CG 3.48Å; E227-Q242 PolarHBondContact OE1-NE2 3.25Å
228I96.5Very high89.5Confident0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-122127.4178.9-48.9-177.4000108.1P161 I164 L175 W177 Y192 K193 V194 I226 S240 I243P161-I228 HydrophobicContact CB-CG2 4.5Å; P161-I228 WeakPolarHBondContact CD-O 3.3Å; P161-I228 HydrophobicContact CG-CB 4.25Å; P161-I228 HydrophobicContact CG-CG2 3.93Å; I164-I228 HydrophobicContact CD1-CD1 4.26Å; I164-I228 HydrophobicContact CG2-CD1 3.81Å; L175-I228 HydrophobicContact CD2-CD1 4.38Å; W177-I228 HydrophobicContact CD2-CD1 3.99Å; W177-I228 HydrophobicContact CD2-CG2 4.26Å; W177-I228 HydrophobicContact CE3-CD1 3.48Å; W177-I228 VanDerWaalsContact CE3-CD1 3.48Å; W177-I228 HydrophobicContact CZ2-CG2 4.23Å; W177-I228 HydrophobicContact CZ3-CD1 3.79Å; Y192-I228 HydrophobicContact CD1-CG2 4.27Å; K193-I228 WeakPolarHBondContact O-CA 3.24Å; V194-I228 HydrophobicContact CG1-CG1 4.48Å; V194-I228 HydrophobicContact CG2-CG1 4.37Å; V194-I228 HydrophobicContact CG2-CG2 4.24Å; I226-I228 HydrophobicContact CG2-CG1 4.36Å; I228-S240 PolarHBondContact N-OG 2.92Å; I228-S240 WeakPolarHBondContact O-CB 3.31Å; I228-S240 PolarHBondContact O-N 2.58Å; I228-S240 PolarHBondContact O-OG 2.91Å; I228-I243 HydrophobicContact CD1-CD1 4.48Å
229K96.8Very high90.3Very high42 Ų4238.6 Ų38.618%0.18321%0.214CC..EExtended strand (participates in β ladder)trans-129.4143174.160.5175130.6171.90111.1Y192 K193 L195 D236Y192-K229 CarbonylContact C-O 3.48Å; Y192-K229 VanDerWaalsContact CA-O 3.3Å; Y192-K229 WeakPolarHBondContact CA-O 3.41Å; K193-K229 HydrophobicContact CB-CG 3.94Å; K193-K229 PolarHBondContact N-O 2.99Å; K193-K229 PolarHBondContact O-N 2.82Å; L195-K229 HydrophobicContact CD1-CD 4.18Å; L195-K229 HydrophobicContact CD1-CG 3.89Å; K229-D236 HydrophobicContact CD-CB 3.93Å; K229-D236 IonicContact NZ-OD2 2.86Å; K229-D236 PolarHBondContact NZ-OD2 3.26Å
230P97.4Very high91.4Very high0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-71.6154.3169.531.9-31.6000109.8P157 V180 V189 G191 Y192 G237 S238P157-P230 HydrophobicContact CB-CG 4.07Å; P157-P230 HydrophobicContact CG-CB 4.38Å; P157-P230 HydrophobicContact CG-CG 4.31Å; V180-P230 HydrophobicContact CG1-CG 4.38Å; V180-P230 HydrophobicContact CG2-CB 4.48Å; V180-P230 HydrophobicContact CG2-CG 4.39Å; V189-P230 HydrophobicContact CG1-CB 4.12Å; V189-P230 HydrophobicContact CG2-CB 4.38Å; G191-P230 CarbonylContact O-C 3.53Å; G191-P230 VanDerWaalsContact O-CA 3.32Å; G191-P230 WeakPolarHBondContact O-CA 3.1Å; Y192-P230 HydrophobicContact CD1-CB 4.1Å; Y192-P230 HydrophobicContact CE1-CB 3.99Å; P230-G237 PolarHBondContact O-N 2.82Å; P230-S238 WeakPolarHBondContact CD-O 3.48Å
231F97Very high92.6Very high41 Ų4136 Ų3618%0.1820%0.199CC..EExtended strand (participates in β ladder)trans-128.6150.6167.774.8-90.5000110.5K190 G191 K193 E208 G235K190-F231 HydrophobicContact CB-CD2 4.14Å; K190-F231 HydrophobicContact CB-CE2 3.74Å; K190-F231 HydrophobicContact CB-CZ 4.35Å; K190-F231 PolarHBondContact N-O 2.85Å; G191-F231 VanDerWaalsContact CA-CE1 3.46Å; G191-F231 PolarHBondContact N-O 3.16Å; G191-F231 WeakPolarHBondContact O-CD1 3.38Å; G191-F231 PolarHBondContact O-N 3.22Å; K193-F231 HydrophobicContact CD-CB 4.45Å; K193-F231 HydrophobicContact CG-CB 4.45Å; K193-F231 HydrophobicContact CG-CD1 3.87Å; K193-F231 HydrophobicContact CG-CG 4.46Å; E208-F231 HydrophobicContact CB-CE1 4.5Å; F231-G235 WeakPolarHBondContact CA-O 3.24Å
232S97.1Very high93.7Very high10 Ų1036.4 Ų36.47%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-144.3-177179.668.20000110.8P156 S187 E188 G234 G235P156-S232 WeakPolarHBondContact CA-OG 3.26Å; S187-S232 VanDerWaalsContact CB-OG 3.24Å; S187-S232 WeakPolarHBondContact CB-OG 3.35Å; E188-S232 WeakPolarHBondContact O-CB 3.3Å; S232-G234 PolarHBondContact O-N 2.88Å; S232-G234 PolarHBondContact OG-N 3.35Å; S232-G234 VanDerWaalsContact OG-N 3.11Å; S232-G235 PolarHBondContact N-O 3.3Å; S232-G235 PolarHBondContact O-N 3.29Å
233D96.3Very high94.2Very high64 Ų6434.5 Ų34.534%0.34219%0.19SC..THydrogen-bonded Turntrans-58.7-24.4168.3-84.1-29.7000113R153 K190 G235R153-D233 WeakPolarHBondContact CD-O 3.32Å; R153-D233 VanDerWaalsContact NH1-CB 3.31Å; R153-D233 IonicContact NH1-OD1 2.91Å; R153-D233 PolarHBondContact NH1-OD1 3.24Å; R153-D233 IonicContact NH1-OD2 3.71Å; K190-D233 WeakPolarHBondContact CE-OD1 3.42Å; K190-D233 WeakPolarHBondContact CE-OD2 3.44Å; K190-D233 IonicContact NZ-OD1 2.59Å; K190-D233 PolarHBondContact NZ-OD1 3.07Å; K190-D233 IonicContact NZ-OD2 2.8Å; K190-D233 PolarHBondContact NZ-OD2 2.95Å; D233-G235 VanDerWaalsContact C-N 3.27Å; D233-G235 PolarHBondContact O-N 2.91Å
234G95.2Very high94.4Very high2 Ų238.7 Ų38.72%0.02120%0.2CC..THydrogen-bonded Turntrans-73.6-16.6175.500000114.2A71 K154 S187 S232A71-G234 VanDerWaalsContact CB-O 3.29Å; A71-G234 WeakPolarHBondContact CB-O 3.49Å; A71-G234 PolarHBondContact N-O 3.11Å; K154-G234 WeakPolarHBondContact O-CA 3.01Å; S187-G234 PolarHBondContact OG-N 3.13Å; S232-G234 PolarHBondContact O-N 2.88Å; S232-G234 PolarHBondContact OG-N 3.35Å; S232-G234 VanDerWaalsContact OG-N 3.11Å
235G96.8Very high94.4Very high23 Ų2338.3 Ų38.324%0.23720%0.199CC..EExtended strand (participates in β ladder)trans119.2-154.9-173.200000112.6P156 F231 S232 D233P156-G235 WeakPolarHBondContact CB-O 3.42Å; F231-G235 WeakPolarHBondContact CA-O 3.24Å; S232-G235 PolarHBondContact N-O 3.3Å; S232-G235 PolarHBondContact O-N 3.29Å; D233-G235 VanDerWaalsContact C-N 3.27Å; D233-G235 PolarHBondContact O-N 2.91Å
236D96.5Very high94Very high69 Ų6941.2 Ų41.237%0.36922%0.218SC..EExtended strand (participates in β ladder)trans-81.1128.4176.6-76.97.7000110.2P156 K193 K229P156-D236 WeakPolarHBondContact CG-O 3.43Å; K193-D236 WeakPolarHBondContact CE-OD1 3.19Å; K193-D236 IonicContact NZ-OD1 2.81Å; K193-D236 PolarHBondContact NZ-OD1 2.67Å; K193-D236 IonicContact NZ-OD2 3.26Å; K229-D236 HydrophobicContact CD-CB 3.93Å; K229-D236 IonicContact NZ-OD2 2.86Å; K229-D236 PolarHBondContact NZ-OD2 3.26Å
237G95.4Very high93.4Very high13 Ų1346.2 Ų46.213%0.13424%0.24CC..  trans-83.6-172.1174.400000113.3P157 P230 S239P157-G237 WeakPolarHBondContact O-CA 3.5Å; P230-G237 PolarHBondContact O-N 2.82Å; G237-S239 PolarHBondContact O-N 3.3Å
238S95.7Very high92.2Very high50 Ų5045 Ų4535%0.3524%0.235SC..PPolyproline II helixtrans-64.1132.3-178.7-66.80000112.3P157 S158 P230P157-S238 PolarHBondContact O-N 2.76Å; P157-S238 VanDerWaalsContact O-N 3.07Å; S158-S238 VanDerWaalsContact C-OG 3.28Å; S158-S238 WeakPolarHBondContact O-CB 3.18Å; S158-S238 PolarHBondContact O-OG 2.89Å; P230-S238 WeakPolarHBondContact CD-O 3.48Å
239S95.9Very high90.5Very high49 Ų4949.8 Ų49.834%0.34327%0.269SS..PPolyproline II helixtrans-75.5147.1176.1-170.60000111.6P160 G237P160-S239 WeakPolarHBondContact CB-O 3.33Å; G237-S239 PolarHBondContact O-N 3.3Å
240S95.7Very high88.5Confident10 Ų1054.9 Ų54.97%0.0730%0.298CS..PPolyproline II helixtrans-60.2163.4162.374.50000111.2I228I228-S240 PolarHBondContact N-OG 2.92Å; I228-S240 WeakPolarHBondContact O-CB 3.31Å; I228-S240 PolarHBondContact O-N 2.58Å; I228-S240 PolarHBondContact O-OG 2.91Å
241E92.6Very high86.6Confident126 Ų12657.7 Ų57.759%0.58932%0.321SS*.PPolyproline II helixtrans-56.3156.2161.7-66.9-58.6142.900111.4I243 A258E241-I243 PolarHBondContact O-N 3.32Å; E241-A258 HydrophobicContact CG-CB 4.45Å
242Q92.6Very high85Confident79 Ų7963.5 Ų63.537%0.36934%0.343SS..PPolyproline II helixtrans-67.8118.1176.4-78.5-178.9-1.900111.1I225 E227I225-Q242 HydrophobicContact CG2-CB 4.04Å; I225-Q242 HydrophobicContact CG2-CG 3.87Å; E227-Q242 HydrophobicContact CG-CG 3.8Å; E227-Q242 WeakPolarHBondContact OE1-CG 3.48Å; E227-Q242 PolarHBondContact OE1-NE2 3.25Å
243I90.8Very high83.7Confident6 Ų664.6 Ų64.63%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-91.7117.9175.4-55.9161.3000107.6I164 L175 I225 I226 I228 E241 I245I164-I243 HydrophobicContact CB-CD1 4.08Å; I164-I243 HydrophobicContact CD1-CD1 3.92Å; I164-I243 HydrophobicContact CG2-CD1 3.45Å; I164-I243 VanDerWaalsContact CG2-CD1 3.45Å; L175-I243 HydrophobicContact CD2-CD1 4.41Å; I225-I243 CarbonylContact C-O 3.58Å; I225-I243 WeakPolarHBondContact CA-O 3.41Å; I226-I243 HydrophobicContact CB-CB 4.31Å; I226-I243 PolarHBondContact N-O 3.02Å; I226-I243 WeakPolarHBondContact O-CB 3.32Å; I226-I243 PolarHBondContact O-N 2.76Å; I228-I243 HydrophobicContact CD1-CD1 4.48Å; E241-I243 PolarHBondContact O-N 3.32Å; I243-I245 HydrophobicContact CG2-CG1 4.18Å
244R89.8Confident82.8Confident158 Ų15870.7 Ų70.760%0.59637%0.371SS*.EExtended strand (participates in β ladder)trans-96.4117176-64.1-179.8-173.3-85.5-6.3109.1Y224 I225Y224-R244 WeakPolarHBondContact O-CA 3.35Å; I225-R244 HydrophobicContact CG1-CG 4.49Å
245I86.5Confident82.1Confident2 Ų271.6 Ų71.61%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-104.9107.8172.7-57.9-175000106.5W166 I173 Y224 I226 I243 I248W166-I245 HydrophobicContact CB-CD1 4.26Å; W166-I245 HydrophobicContact CD2-CD1 3.89Å; W166-I245 HydrophobicContact CD2-CG1 3.94Å; W166-I245 HydrophobicContact CE3-CD1 4.08Å; W166-I245 HydrophobicContact CE3-CG1 4.27Å; W166-I245 HydrophobicContact CE3-CG2 4.19Å; W166-I245 HydrophobicContact CG-CD1 3.97Å; W166-I245 HydrophobicContact CG-CG1 4.28Å; W166-I245 HydrophobicContact CH2-CG2 4.02Å; W166-I245 HydrophobicContact CZ2-CG1 4.31Å; W166-I245 HydrophobicContact CZ2-CG2 4.48Å; W166-I245 HydrophobicContact CZ3-CG2 3.86Å; I173-I245 HydrophobicContact CD1-CD1 4.02Å; I173-I245 HydrophobicContact CD1-CG2 3.96Å; I173-I245 HydrophobicContact CG1-CD1 4.49Å; I173-I245 HydrophobicContact CG2-CD1 3.48Å; I173-I245 VanDerWaalsContact CG2-CD1 3.48Å; Y224-I245 PolarHBondContact N-O 3.22Å; Y224-I245 PolarHBondContact O-N 2.92Å; I226-I245 HydrophobicContact CD1-CD1 3.57Å; I226-I245 HydrophobicContact CD1-CG1 4.42Å; I226-I245 HydrophobicContact CG1-CD1 4.42Å; I243-I245 HydrophobicContact CG2-CG1 4.18Å; I245-I248 HydrophobicContact CG2-CD1 4.45Å
246P83Confident81.3Confident70 Ų7074.6 Ų74.646%0.45540%0.397SS..  trans-70159.1-177.930.4-34.9000110.7D223 I248D223-P246 VanDerWaalsContact OD1-CA 3.31Å; D223-P246 WeakPolarHBondContact OD1-CA 3.35Å; P246-I248 WeakPolarHBondContact O-CG1 3.24Å; P246-I248 PolarHBondContact O-N 2.68Å
247K78.4Confident79.9Confident106 Ų10671.9 Ų71.946%0.46139%0.386SS..  trans-48.9129.2166.8174.8177.4-172.1133.90110.9D221 D223D221-K247 WeakPolarHBondContact O-CD 3.43Å; D221-K247 VanDerWaalsContact O-CE 3.25Å; D221-K247 WeakPolarHBondContact O-CE 3.45Å; D221-K247 PolarHBondContact O-NZ 2.87Å; D223-K247 PolarHBondContact OD1-N 2.76Å
248I70.1Confident77.8Confident25 Ų2574.9 Ų74.913%0.12841%0.409CS..  trans-106.7111.9-175.3-50.6-178.1000108.3S168 F220 I245 P246 N250 A253S168-I248 WeakPolarHBondContact OG-CD1 3.41Å; F220-I248 HydrophobicContact CB-CB 4.46Å; F220-I248 WeakPolarHBondContact CD2-O 3.45Å; F220-I248 PolarHBondContact O-N 3.03Å; I245-I248 HydrophobicContact CG2-CD1 4.45Å; P246-I248 WeakPolarHBondContact O-CG1 3.24Å; P246-I248 PolarHBondContact O-N 2.68Å; I248-N250 VanDerWaalsContact CG2-O 3.24Å; I248-N250 WeakPolarHBondContact CG2-O 3.27Å; I248-A253 HydrophobicContact CD1-CB 3.88Å; I248-A253 HydrophobicContact CG1-CB 4.35Å; I248-A253 HydrophobicContact CG2-CB 4.4Å
249S60.3Low75.4Confident101 Ų10176.3 Ų76.371%0.70642%0.419SS*.  trans-93.6-10.8-174.4-51.80000113.9
250N55.7Low72.8Confident149 Ų14977.6 Ų77.680%0.79743%0.425SS*.SBendtrans-156.5155.5175.3-109.1-8.1000111.2I248 Y252I248-N250 VanDerWaalsContact CG2-O 3.24Å; I248-N250 WeakPolarHBondContact CG2-O 3.27Å; N250-Y252 PolarHBondContact O-N 3.5Å
251A57.3Low69.9Low59 Ų5981.7 Ų81.749%0.48845%0.454SS..SBendtrans-49.6125.5-16500000114.8
252Y62.8Low67.3Low163 Ų16382.7 Ų82.764%0.63946%0.463SS*.  trans77.1111.1172.1-47.1-78.4000117.3S168 N250S168-Y252 WeakPolarHBondContact O-CA 3.36Å; S168-Y252 WeakPolarHBondContact O-CD1 3.42Å; N250-Y252 PolarHBondContact O-N 3.5Å
253A70Confident64.4Low32 Ų3282.4 Ų82.426%0.26447%0.474SS..  trans-125.9147163.300000111.1W166 N167 S168 I248W166-A253 HydrophobicContact CH2-CB 3.98Å; W166-A253 HydrophobicContact CZ3-CB 3.89Å; N167-A253 CarbonylContact C-O 3.59Å; N167-A253 WeakPolarHBondContact CA-O 3.48Å; S168-A253 PolarHBondContact N-O 2.82Å; S168-A253 WeakPolarHBondContact OG-CA 3.36Å; S168-A253 WeakPolarHBondContact OG-CB 3.42Å; S168-A253 PolarHBondContact OG-N 3.46Å; S168-A253 PolarHBondContact OG-O 2.94Å; I248-A253 HydrophobicContact CD1-CB 3.88Å; I248-A253 HydrophobicContact CG1-CB 4.35Å; I248-A253 HydrophobicContact CG2-CB 4.4Å
254R78.7Confident61.6Low192 Ų19287.8 Ų87.873%0.72551%0.511SS*.EExtended strand (participates in β ladder)trans-133143.4176.1-170.6-179.4-176.1172.10.7109.4W166 N167W166-R254 WeakPolarHBondContact O-CA 3.2Å; W166-R254 VanDerWaalsContact O-CG 3.3Å; W166-R254 WeakPolarHBondContact O-CG 3.26Å; N167-R254 HydrophobicContact CB-CG 4.42Å
255G79.7Confident59Low21 Ų2186.4 Ų86.422%0.21652%0.52CS..EExtended strand (participates in β ladder)trans-153.7174.7172.900000112.3W166W166-G255 VanDerWaalsContact CE2-CA 3.48Å; W166-G255 PolarHBondContact N-O 3.16Å; W166-G255 PolarHBondContact O-N 2.98Å
256S80Confident56.4Low86 Ų8694.3 Ų94.360%0.60156%0.562SS**EExtended strand (participates in β ladder)trans-126.2146.9173.558.50000109.9I164I164-S256 CarbonylContact O-C 3.53Å; I164-S256 VanDerWaalsContact O-CA 3.3Å; I164-S256 WeakPolarHBondContact O-CA 3.48Å
257G67.8Low54.2Low12 Ų1295.8 Ų95.812%0.12457%0.574CS.*PPolyproline II helixtrans-66.2163.9163.300000110.8I164 S259I164-G257 PolarHBondContact O-N 3.26Å; G257-S259 PolarHBondContact O-N 2.93Å
258A51.7Low52.1Low77 Ų7795.6 Ų95.664%0.63659%0.592SS**PPolyproline II helixtrans-60.3123.6172.900000109.7E241 T260E241-A258 HydrophobicContact CG-CB 4.45Å; A258-T260 PolarHBondContact O-N 2.9Å
259S44.1Very low50.6Low80 Ų80101.5 Ų101.556%0.55962%0.622SS**PPolyproline II helixtrans-69.1117.5173.8-57.70000108.9G257 S261G257-S259 PolarHBondContact O-N 2.93Å; S259-S261 PolarHBondContact O-N 3.1Å
260T41.6Very low49.4Very low75 Ų75101.6 Ų101.646%0.4662%0.623SS.*  trans-72.781.4165.555.20000108.1P160 A258 N262P160-T260 HydrophobicContact CG-CG2 4.37Å; A258-T260 PolarHBondContact O-N 2.9Å; T260-N262 PolarHBondContact O-N 2.75Å; T260-N262 VanDerWaalsContact O-N 3.16Å
261S35Very low48.5Very low96 Ų96100.4 Ų100.467%0.67162%0.621SS**  trans-72.6104.7166.975.10000107.6S259 A263S259-S261 PolarHBondContact O-N 3.1Å; S261-A263 PolarHBondContact O-N 3.24Å
262N37.5Very low47.7Very low148 Ų148104.5 Ų104.579%0.79163%0.633SS**  trans-7174.8161.8-78.7-17000108.2T260 C264T260-N262 PolarHBondContact O-N 2.75Å; T260-N262 VanDerWaalsContact O-N 3.16Å; N262-C264 PolarHBondContact O-N 2.83Å
263A31.6Very low46.4Very low72 Ų72105 Ų10560%0.59564%0.643SS**  trans-76.399.7162.900000106.6S261 T265S261-A263 PolarHBondContact O-N 3.24Å; A263-T265 VanDerWaalsContact C-N 3.29Å; A263-T265 PolarHBondContact O-N 2.86Å
264C33.2Very low45Very low119 Ų119110 Ų11080%0.80467%0.665SS**  trans-58.695.4164.2-71.30000108.3N262 L266N262-C264 PolarHBondContact O-N 2.83Å; C264-L266 VanDerWaalsContact C-N 3.29Å; C264-L266 PolarHBondContact O-N 3.01Å
265T33.4Very low43.1Very low130 Ų130105.9 Ų105.980%0.79867%0.665SS**  trans-7191.8166.352.40000107.5A263 S267A263-T265 VanDerWaalsContact C-N 3.29Å; A263-T265 PolarHBondContact O-N 2.86Å; T265-S267 PolarHBondContact O-N 2.96Å
266L32.6Very low41Very low168 Ų168112.7 Ų112.788%0.8870%0.696SS**  trans-59.6103.9162.5-88.8156.1000107.4C264 A268C264-L266 VanDerWaalsContact C-N 3.29Å; C264-L266 PolarHBondContact O-N 3.01Å; L266-A268 PolarHBondContact O-N 3.11Å
267S36.7Very low39.3Very low101 Ų101115 Ų11571%0.70671%0.707SS**  trans-62.5114.1169.457.80000108.5T265 I269T265-S267 PolarHBondContact O-N 2.96Å; S267-I269 PolarHBondContact O-N 3.17Å; S267-I269 VanDerWaalsContact O-N 3.11Å
268A34.8Very low38.1Very low102 Ų102118.8 Ų118.884%0.84374%0.737SS**  trans-64.8107.7170.800000109.2L266 S270L266-A268 PolarHBondContact O-N 3.11Å; A268-S270 PolarHBondContact O-N 3.31Å
269I38.3Very low37.6Very low148 Ų148127 Ų12776%0.75975%0.751SS**  trans-75.3110.6167.3-64.6174.3000106.7S267 T271S267-I269 PolarHBondContact O-N 3.17Å; S267-I269 VanDerWaalsContact O-N 3.11Å; I269-T271 PolarHBondContact O-N 3.45Å
270S34.8Very low37.7Very low103 Ų103128.4 Ų128.472%0.7276%0.761SS**  trans-73.3109.1172.9-171.30000109.2A268 I272A268-S270 PolarHBondContact O-N 3.31Å; S270-I272 PolarHBondContact O-N 3.34Å
271T37.9Very low38Very low125 Ų125130.4 Ų130.477%0.76778%0.778SS**  trans-83.3103.7167.633.80000109.2I269 M273I269-T271 PolarHBondContact O-N 3.45Å; T271-M273 PolarHBondContact O-N 3.34Å
272I39.4Very low38.5Very low144 Ų144137.8 Ų137.874%0.73881%0.808SS**  trans-76.1103.7167.2-63.3175000107.5S270 I274S270-I272 PolarHBondContact O-N 3.34Å; I272-I274 HydrophobicContact CG2-CG1 4.06Å; I272-I274 PolarHBondContact O-N 3.23Å
273M36.3Very low38.6Very low173 Ų173137.3 Ų137.385%0.85281%0.809SS**  trans-71107.5164.7-86.4-86.7-8000108.8T271T271-M273 PolarHBondContact O-N 3.34Å
274I41Very low39Very low138 Ų138140.7 Ų140.771%0.70882%0.82SS**  trans-87.4105.7165.2-61.8177.2000107.4I272 L276I272-I274 HydrophobicContact CG2-CG1 4.06Å; I272-I274 PolarHBondContact O-N 3.23Å; I274-L276 HydrophobicContact CG2-CD1 4.27Å; I274-L276 PolarHBondContact O-N 3.37Å
275S36.9Very low39.3Very low105 Ų105141.9 Ų141.973%0.73482%0.821SS**  trans-71.1107.8167.931.70000110
276L37.3Very low39.6Very low165 Ų165142.6 Ų142.686%0.86482%0.823SS**  trans-87.7103.6162.2-88.7109.8000109.4I274I274-L276 HydrophobicContact CG2-CD1 4.27Å; I274-L276 PolarHBondContact O-N 3.37Å
277T44.5Very low40.1Very low135 Ų135141 Ų14183%0.82882%0.819SS**  trans-80.8130.7162.342.40000110.3
278A41.9Very low40.3Very low91 Ų91143.7 Ų143.775%0.75283%0.827SS**  trans-59.6154.5-176.800000115.2
279R41.3Very low40.7Very low250 Ų250146.6 Ų146.694%0.94383%0.825SS**  trans-136.8109.1143.2-80.7-164.5173.8-164-1.5110.4
280S46.1Very low40.9Very low109 Ų109146.5 Ų146.576%0.76283%0.831SS**  trans-76.5135.9159.148.10000109.8
281S48Very low41.4Very low117 Ų117150.2 Ų150.282%0.81884%0.84SS**  trans-153.5127.4150.8-59.60000108.6
282L46.3Very low41.7Very low250 Ų250152.5 Ų152.5100%1.30985%0.846SS**  trans-58.40155.2-85139.8000110.4

Retrieved 282 of 282 residues in 101.1 ms (Link to these results)