G4VMJ5_SCHMA Loading...

Large ribosomal subunit protein uL5

AlphaFold DB , UniProt , Accession G4VMJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 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
1M33.4Very low41.7Very low234 Ų234156.7 Ų156.7100%1.15378%0.78SS**  0111.50-76.9172.3168.800108.3V3M1-V3 PolarHBondContact O-N 2.96Å
2V39.6Very low44.1Very low148 Ų148156.8 Ų156.890%0.89779%0.785SS**  trans-70100.2172179.40000106.1K4V2-K4 PolarHBondContact O-N 3.2Å
3V34.2Very low47.4Very low122 Ų122150.7 Ų150.774%0.73976%0.756SS**  trans-53.3108.6172.7178.40000106.1M1 K5M1-V3 PolarHBondContact O-N 2.96Å; V3-K5 VanDerWaalsContact C-N 3.29Å; V3-K5 PolarHBondContact O-N 3.47Å
4K35Very low50.4Low190 Ų190146.6 Ų146.683%0.82675%0.746SS**  trans-52.9105.3164.7-92.4178.9174.6175.20104.5V2 E6V2-K4 PolarHBondContact O-N 3.2Å; K4-E6 PolarHBondContact O-N 3.33Å
5K34.7Very low53.1Low188 Ų188144.1 Ų144.182%0.81773%0.732SS**  trans-62.992.5175.7-168.2176.6-171.3171.50105.2V3 V7V3-K5 VanDerWaalsContact C-N 3.29Å; V3-K5 PolarHBondContact O-N 3.47Å; K5-V7 PolarHBondContact O-N 3.09Å
6E33.8Very low55.4Low178 Ų178139.3 Ų139.383%0.83270%0.702SS**  trans-49.9112.2170.3-73.6-175.3154.400105.7K4 K8K4-E6 PolarHBondContact O-N 3.33Å; E6-K8 PolarHBondContact O-N 2.96Å
7V44.8Very low57.6Low121 Ų121139.3 Ų139.373%0.73370%0.699SS**  trans-67.590.3177.6176.30000104.3K5 E9K5-V7 PolarHBondContact O-N 3.09Å; V7-E9 PolarHBondContact O-N 3.1Å
8K41.4Very low59.6Low193 Ų193132.7 Ų132.784%0.83967%0.666SS**  trans-37111.3175.7-143.9179.6-169.6-179.90106.7E6 K10E6-K8 PolarHBondContact O-N 2.96Å; K8-K10 PolarHBondContact O-N 3.4Å
9E49.7Very low61.4Low153 Ų153131.4 Ų131.472%0.71566%0.656SS**  trans-52.1103-169.1-81-167.8148.500109.1V7 T11V7-E9 PolarHBondContact O-N 3.1Å; E9-T11 HydrophobicContact CB-CG2 3.72Å; E9-T11 WeakPolarHBondContact CB-OG1 3.18Å; E9-T11 HydrophobicContact CG-CG2 3.92Å; E9-T11 PolarHBondContact O-N 3.37Å; E9-T11 VanDerWaalsContact O-N 3.07Å
10K52.9Low63.1Low103 Ų103125.9 Ų125.945%0.44863%0.628SS.*  trans-78.326.3168.6-77.2156.5158.5177.50110.1K8 N12 N13 R16K8-K10 PolarHBondContact O-N 3.4Å; K10-N12 PolarHBondContact O-N 3Å; K10-N13 PolarHBondContact O-N 2.97Å; K10-R16 VanDerWaalsContact CD-CZ 3.48Å; K10-R16 VanDerWaalsContact CD-NH1 3.34Å; K10-R16 VanDerWaalsContact CE-CZ 3.42Å; K10-R16 VanDerWaalsContact NZ-NH1 3.17Å
11T59.1Low64.7Low94 Ų94122.9 Ų122.958%0.57761%0.612SS**THydrogen-bonded Turntrans-65.5-27-169.843.90000111.7E9 N13E9-T11 HydrophobicContact CB-CG2 3.72Å; E9-T11 WeakPolarHBondContact CB-OG1 3.18Å; E9-T11 HydrophobicContact CG-CG2 3.92Å; E9-T11 PolarHBondContact O-N 3.37Å; E9-T11 VanDerWaalsContact O-N 3.07Å; T11-N13 PolarHBondContact O-N 3.33Å
12N70.9Confident67.7Low158 Ų158114.4 Ų114.485%0.84557%0.569SS**THydrogen-bonded Turntrans-86.63.3-180-82.8-8.9000115.9K10 P14K10-N12 PolarHBondContact O-N 3Å; N12-P14 VanDerWaalsContact O-CD 3.31Å; N12-P14 WeakPolarHBondContact O-CD 3.39Å
13N86Confident70.5Confident77 Ų77107.4 Ų107.441%0.41253%0.526SS..  trans-96.8108.9177.5-167.6-30.2000111.6K10 T11 M15 R16K10-N13 PolarHBondContact O-N 2.97Å; T11-N13 PolarHBondContact O-N 3.33Å; N13-M15 PolarHBondContact O-N 3.11Å; N13-M15 VanDerWaalsContact O-N 3.13Å; N13-M15 WeakPolarHBondContact OD1-CB 3.31Å; N13-M15 PolarHBondContact OD1-N 3.03Å; N13-R16 HydrophobicContact CB-CB 4.46Å; N13-R16 HydrophobicContact CB-CG 4.29Å; N13-R16 PolarHBondContact O-N 2.9Å
14P89.6Confident73.5Confident94 Ų94102.7 Ų102.761%0.6150%0.499SS*.G310 helixtrans-60.3-27.7-179.624-33.8000112.6N12 R16 E17N12-P14 VanDerWaalsContact O-CD 3.31Å; N12-P14 WeakPolarHBondContact O-CD 3.39Å; P14-R16 PolarHBondContact O-N 2.92Å; P14-E17 WeakPolarHBondContact O-CB 3.46Å; P14-E17 PolarHBondContact O-N 2.76Å
15M91.8Very high76.4Confident108 Ų10893.7 Ų93.753%0.53246%0.459SS..G310 helixtrans-73.5-4.3177.6-63.2-64.8-72.300113.7N13 P140N13-M15 PolarHBondContact O-N 3.11Å; N13-M15 VanDerWaalsContact O-N 3.13Å; N13-M15 WeakPolarHBondContact OD1-CB 3.31Å; N13-M15 PolarHBondContact OD1-N 3.03Å; M15-P140 HydrophobicContact CE-CB 3.7Å; M15-P140 HydrophobicContact SD-CB 3.99Å
16R90.1Very high79.4Confident68 Ų6887.2 Ų87.226%0.25743%0.434SS..G310 helixtrans-102.3-3.7174.1-72.9-176.9174.7-98.6-7.5113.6K10 N13 P14 R139 N157K10-R16 VanDerWaalsContact CD-CZ 3.48Å; K10-R16 VanDerWaalsContact CD-NH1 3.34Å; K10-R16 VanDerWaalsContact CE-CZ 3.42Å; K10-R16 VanDerWaalsContact NZ-NH1 3.17Å; N13-R16 HydrophobicContact CB-CB 4.46Å; N13-R16 HydrophobicContact CB-CG 4.29Å; N13-R16 PolarHBondContact O-N 2.9Å; P14-R16 PolarHBondContact O-N 2.92Å; R16-R139 PolarHBondContact O-NE 3.49Å; R16-N157 PolarHBondContact NH1-O 3.05Å
17E91.6Very high82.4Confident139 Ų13978.9 Ų78.965%0.6540%0.395SS*.  trans-60.9139.4175.7-166.1177.5-17700110.9P14 P140P14-E17 WeakPolarHBondContact O-CB 3.46Å; P14-E17 PolarHBondContact O-N 2.76Å; E17-P140 VanDerWaalsContact O-CD 3.29Å; E17-P140 WeakPolarHBondContact O-CD 3.44Å
18I93.7Very high84.8Confident21 Ų2177.1 Ų77.111%0.10839%0.387CS..  trans-88.8128.9-179.6-62.7168.9000108.1L137 V160 E164 W168I18-L137 HydrophobicContact CG2-CB 3.89Å; I18-L137 HydrophobicContact CG2-CD1 4.06Å; I18-L137 HydrophobicContact CG2-CD2 4.36Å; I18-L137 HydrophobicContact CG2-CG 4.33Å; I18-V160 HydrophobicContact CD1-CG1 3.99Å; I18-V160 HydrophobicContact CG1-CG2 4.28Å; I18-E164 HydrophobicContact CD1-CB 3.96Å; I18-W168 HydrophobicContact CB-CG 4.1Å; I18-W168 HydrophobicContact CD1-CB 4.2Å; I18-W168 HydrophobicContact CG2-CB 4.42Å; I18-W168 HydrophobicContact CG2-CD2 4.2Å; I18-W168 HydrophobicContact CG2-CG 3.84Å; I18-W168 PolarHBondContact O-NE1 2.78Å
19K93.8Very high87.3Confident108 Ų10869.3 Ų69.347%0.4736%0.355SS..EExtended strand (participates in β ladder)trans-127.5159.4176.260.6176.5178.7-176.30111.5Q21 L137 G138K19-Q21 PolarHBondContact O-N 3.47Å; K19-L137 WeakPolarHBondContact O-CA 3.3Å; K19-G138 VanDerWaalsContact CG-O 3.24Å; K19-G138 WeakPolarHBondContact CG-O 3.18Å; K19-G138 PolarHBondContact N-O 2.85Å; K19-G138 PolarHBondContact O-N 2.96Å
20I96.1Very high89.4Confident20 Ų2063.3 Ų63.310%0.10334%0.335CS..EExtended strand (participates in β ladder)trans-71.7113.8169.8-54.3-178.2000108.1E83 L86 V135 L137 W168I20-E83 HydrophobicContact CD1-CG 3.71Å; I20-L86 HydrophobicContact CD1-CD2 3.56Å; I20-V135 HydrophobicContact CG2-CG1 4.16Å; I20-L137 HydrophobicContact CG1-CD2 4.18Å; I20-W168 HydrophobicContact CD1-CH2 3.87Å; I20-W168 HydrophobicContact CD1-CZ2 4.35Å; I20-W168 HydrophobicContact CG1-CH2 3.55Å; I20-W168 HydrophobicContact CG1-CZ2 3.77Å
21Q95.4Very high91.3Very high64 Ų6462.6 Ų62.630%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-79.9-41.9178.1-172.1-178.4-5.100111.2K19 I136K19-Q21 PolarHBondContact O-N 3.47Å; Q21-I136 HydrophobicContact CB-CG2 4.17Å; Q21-I136 WeakPolarHBondContact CB-O 3.41Å; Q21-I136 PolarHBondContact N-O 3.27Å
22K97.2Very high92.9Very high56 Ų5660.6 Ų60.624%0.24332%0.323CS..EExtended strand (participates in β ladder)trans-163.3151174.462.3-177.7-168.1164.20110.4T76 V77 R78 I136K22-T76 HydrophobicContact CB-CG2 3.98Å; K22-T76 HydrophobicContact CD-CG2 3.76Å; K22-T76 HydrophobicContact CG-CG2 4.35Å; K22-V77 WeakPolarHBondContact CA-O 3.17Å; K22-R78 HydrophobicContact CB-CG 3.72Å; K22-I136 HydrophobicContact CD-CD1 4.13Å; K22-I136 HydrophobicContact CG-CB 4.01Å; K22-I136 HydrophobicContact CG-CD1 3.9Å; K22-I136 PolarHBondContact N-O 3.31Å; K22-I136 PolarHBondContact O-N 3.17Å
23L97.8Very high94Very high0 Ų055.1 Ų55.10%030%0.303CS..EExtended strand (participates in β ladder)trans-102.9124.8164.7-179.563.3000108.1L25 T76 V77 A82 I85 L86 F133 V135L23-L25 HydrophobicContact CD1-CD2 4.46Å; L23-L25 HydrophobicContact CD2-CD2 4.1Å; L23-L25 HydrophobicContact CD2-CG 4.34Å; L23-L25 HydrophobicContact CG-CD2 4.13Å; L23-L25 HydrophobicContact CG-CG 4.27Å; L23-T76 CarbonylContact O-C 3.59Å; L23-T76 WeakPolarHBondContact O-CA 3.38Å; L23-V77 PolarHBondContact N-O 3Å; L23-V77 PolarHBondContact O-N 2.99Å; L23-A82 HydrophobicContact CB-CB 3.9Å; L23-I85 HydrophobicContact CD2-CB 4.02Å; L23-I85 HydrophobicContact CD2-CG2 3.8Å; L23-L86 HydrophobicContact CD1-CD1 4.48Å; L23-L86 HydrophobicContact CD2-CB 4.39Å; L23-F133 HydrophobicContact CD1-CB 4.48Å; L23-F133 HydrophobicContact CD1-CD1 3.93Å; L23-F133 HydrophobicContact CD2-CD1 4.15Å; L23-F133 HydrophobicContact CD2-CE1 4.25Å; L23-V135 HydrophobicContact CD1-CG2 3.69Å
24C97.7Very high94.4Very high23 Ų2356.8 Ų56.816%0.15531%0.312CS..EExtended strand (participates in β ladder)trans-104.6128.5171.7-69.60000108.1Y134C24-Y134 PolarHBondContact N-O 3.12Å; C24-Y134 PolarHBondContact O-N 3.04Å
25L97.1Very high94.6Very high1 Ų158.5 Ų58.51%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-115.4132.1176.9-64.7176.5000108.1L23 L43 L46 T47 H74 C75 I85 L131 N132 F133L23-L25 HydrophobicContact CD1-CD2 4.46Å; L23-L25 HydrophobicContact CD2-CD2 4.1Å; L23-L25 HydrophobicContact CD2-CG 4.34Å; L23-L25 HydrophobicContact CG-CD2 4.13Å; L23-L25 HydrophobicContact CG-CG 4.27Å; L25-L43 HydrophobicContact CB-CD2 3.91Å; L25-L43 HydrophobicContact CD1-CD2 4.41Å; L25-L46 HydrophobicContact CD1-CD2 3.99Å; L25-T47 HydrophobicContact CD1-CG2 3.52Å; L25-H74 CarbonylContact O-C 3.35Å; L25-H74 WeakPolarHBondContact O-CA 3.41Å; L25-H74 WeakPolarHBondContact O-CB 3.25Å; L25-C75 PolarHBondContact N-O 3.34Å; L25-C75 PolarHBondContact O-N 3.42Å; L25-I85 HydrophobicContact CD1-CG2 4.1Å; L25-L131 HydrophobicContact CB-CD1 4.23Å; L25-L131 HydrophobicContact CD2-CD2 4.33Å; L25-N132 WeakPolarHBondContact CA-O 3.39Å; L25-F133 HydrophobicContact CD2-CB 4.46Å; L25-F133 HydrophobicContact CD2-CD1 3.43Å; L25-F133 VanDerWaalsContact CD2-CD1 3.43Å; L25-F133 HydrophobicContact CD2-CD2 3.99Å; L25-F133 HydrophobicContact CD2-CE1 3.49Å; L25-F133 VanDerWaalsContact CD2-CE1 3.49Å; L25-F133 HydrophobicContact CD2-CE2 4.03Å; L25-F133 HydrophobicContact CD2-CG 3.68Å; L25-F133 HydrophobicContact CD2-CZ 3.78Å
26D96.5Very high94.8Very high52 Ų5253.5 Ų53.528%0.27828%0.282SS..EExtended strand (participates in β ladder)trans-138.3140.6176.569.2-89.4000112.3V73 H74 N132D26-V73 WeakPolarHBondContact CA-O 3.4Å; D26-H74 HydrophobicContact CB-CB 4.02Å; D26-N132 PolarHBondContact N-O 2.82Å; D26-N132 VanDerWaalsContact N-O 3.14Å; D26-N132 PolarHBondContact O-N 2.93Å; D26-N132 VanDerWaalsContact OD1-CB 3.3Å; D26-N132 WeakPolarHBondContact OD1-CB 3.43Å; D26-N132 PolarHBondContact OD2-ND2 3.14Å
27I96.9Very high95Very high4 Ų453.3 Ų53.32%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-120.4114.6169.4-57.6179.7000106.6V29 A39 L43 A72 V73 Y129 L131I27-V29 HydrophobicContact CG2-CG2 3.92Å; I27-A39 HydrophobicContact CD1-CB 4.36Å; I27-A39 HydrophobicContact CG2-CB 4.05Å; I27-L43 HydrophobicContact CB-CD1 4.43Å; I27-L43 HydrophobicContact CD1-CD1 4.02Å; I27-L43 HydrophobicContact CD1-CD2 4.24Å; I27-L43 HydrophobicContact CD1-CG 3.73Å; I27-L43 HydrophobicContact CG1-CD1 3.99Å; I27-L43 HydrophobicContact CG1-CD2 4.36Å; I27-L43 HydrophobicContact CG1-CG 4.12Å; I27-A72 VanDerWaalsContact O-CA 3.27Å; I27-A72 WeakPolarHBondContact O-CA 3.41Å; I27-A72 WeakPolarHBondContact O-CB 3.46Å; I27-V73 PolarHBondContact N-O 2.96Å; I27-V73 PolarHBondContact O-N 3.1Å; I27-Y129 HydrophobicContact CG2-CD1 4.21Å; I27-L131 HydrophobicContact CD1-CD1 4.05Å; I27-L131 HydrophobicContact CG1-CD1 3.49Å; I27-L131 VanDerWaalsContact CG1-CD1 3.49Å
28C95.5Very high95.2Very high84 Ų8451.6 Ų51.657%0.56828%0.276SS*.EExtended strand (participates in β ladder)trans-99.5108.3171.3-167.60000108.8A72C28-A72 HydrophobicContact CB-CB 4.21Å
29V94.2Very high95.3Very high28 Ų2850.6 Ų50.617%0.1727%0.271CS..  trans-86.6-32.3-177.6-172.70000111I27 E31 R35 L36 A39 I71 Y129I27-V29 HydrophobicContact CG2-CG2 3.92Å; V29-E31 HydrophobicContact CG1-CG 3.98Å; V29-R35 HydrophobicContact CG1-CB 4.16Å; V29-R35 HydrophobicContact CG1-CG 3.72Å; V29-L36 HydrophobicContact CB-CD1 4.15Å; V29-L36 HydrophobicContact CG2-CD1 3.75Å; V29-A39 HydrophobicContact CG2-CB 3.87Å; V29-I71 PolarHBondContact N-O 3.16Å; V29-Y129 HydrophobicContact CG2-CD1 4.45Å; V29-Y129 HydrophobicContact CG2-CE1 4.21Å
30G93.2Very high95.4Very high27 Ų2745.8 Ų45.828%0.27825%0.252SS..SBendtrans91.5-6-18000000114.4I65 I71G30-I65 WeakPolarHBondContact O-CG1 3.47Å; G30-I71 PolarHBondContact N-O 3.02Å
31E93.2Very high95.3Very high88 Ų8850.6 Ų50.641%0.41127%0.272SS..SBendtrans-142.6158.3179.763.5-172168.200111.1V29 R35V29-E31 HydrophobicContact CG1-CG 3.98Å; E31-R35 WeakPolarHBondContact OE1-CD 3.49Å; E31-R35 IonicContact OE1-NE 3.1Å; E31-R35 IonicContact OE1-NH1 3.64Å; E31-R35 PolarHBondContact OE1-NH1 2.91Å
32S93.2Very high95.3Very high53 Ų5347.6 Ų47.637%0.37126%0.258SS..  trans-85.6-176.9168.464.10000111.5E69 K70S32-E69 VanDerWaalsContact CB-OE1 3.27Å; S32-E69 WeakPolarHBondContact CB-OE1 3.29Å; S32-E69 PolarHBondContact OG-OE1 3.34Å; S32-K70 WeakPolarHBondContact CA-O 3.34Å; S32-K70 VanDerWaalsContact CB-O 3.31Å; S32-K70 WeakPolarHBondContact CB-O 3.31Å
33G92.8Very high95.2Very high42 Ų4244.9 Ų44.943%0.43325%0.246SC..SBendtrans92.1-158.2177.600000114.1R35 L36 T37G33-R35 VanDerWaalsContact C-N 3.3Å; G33-R35 PolarHBondContact O-N 2.86Å; G33-L36 WeakPolarHBondContact O-CB 3.19Å; G33-L36 PolarHBondContact O-N 3.31Å; G33-L36 VanDerWaalsContact O-N 3.13Å; G33-T37 PolarHBondContact O-N 3.46Å
34D94.4Very high95Very high112 Ų11249.5 Ų49.560%0.59927%0.268SS*.Hα-helixtrans-66.5-30.9-168.1-68.6-29.9000113.6L36 T37 R38D34-L36 PolarHBondContact O-N 3.04Å; D34-T37 WeakPolarHBondContact CA-OG1 3.44Å; D34-T37 PolarHBondContact O-N 3.2Å; D34-T37 PolarHBondContact O-OG1 2.95Å; D34-R38 WeakPolarHBondContact O-CB 3.39Å; D34-R38 VanDerWaalsContact O-CG 3.23Å; D34-R38 WeakPolarHBondContact O-CG 3.16Å; D34-R38 PolarHBondContact O-N 3.42Å
35R94Very high94.8Very high130 Ų13053.9 Ų53.949%0.49129%0.286SS..Hα-helixtrans-63-33.8177-162.8-178.9-177.7177.8-0.3111.4V29 E31 G33 A39 Y129V29-R35 HydrophobicContact CG1-CB 4.16Å; V29-R35 HydrophobicContact CG1-CG 3.72Å; E31-R35 WeakPolarHBondContact OE1-CD 3.49Å; E31-R35 IonicContact OE1-NE 3.1Å; E31-R35 IonicContact OE1-NH1 3.64Å; E31-R35 PolarHBondContact OE1-NH1 2.91Å; G33-R35 VanDerWaalsContact C-N 3.3Å; G33-R35 PolarHBondContact O-N 2.86Å; R35-A39 PolarHBondContact O-N 3.32Å; R35-A39 VanDerWaalsContact O-N 3.14Å; R35-Y129 HydrophobicContact CG-CE1 3.76Å; R35-Y129 VanDerWaalsContact CG-OH 3.23Å; R35-Y129 WeakPolarHBondContact CG-OH 3.27Å; R35-Y129 PolarHBondContact O-OH 3.42Å
36L95.5Very high94.7Very high4 Ų454.8 Ų54.82%0.02129%0.291CS..Hα-helixtrans-75-37.8176.4-170.467.4000112.3V29 G33 D34 R38 A39 A40 F53 K70 I71 V73V29-L36 HydrophobicContact CB-CD1 4.15Å; V29-L36 HydrophobicContact CG2-CD1 3.75Å; G33-L36 WeakPolarHBondContact O-CB 3.19Å; G33-L36 PolarHBondContact O-N 3.31Å; G33-L36 VanDerWaalsContact O-N 3.13Å; D34-L36 PolarHBondContact O-N 3.04Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-A39 PolarHBondContact O-N 2.92Å; L36-A40 PolarHBondContact O-N 2.72Å; L36-F53 HydrophobicContact CD2-CD1 3.91Å; L36-F53 HydrophobicContact CD2-CE1 4.31Å; L36-F53 HydrophobicContact CG-CD1 4.08Å; L36-F53 HydrophobicContact CG-CE1 4.09Å; L36-K70 VanDerWaalsContact CD2-C 3.46Å; L36-K70 HydrophobicContact CD2-CB 3.54Å; L36-K70 WeakPolarHBondContact CD2-O 3.41Å; L36-I71 WeakPolarHBondContact CD1-O 3.49Å; L36-V73 HydrophobicContact CD1-CG2 3.64Å; L36-V73 HydrophobicContact CG-CG2 3.93Å
37T95.3Very high94.6Very high64 Ų6452.3 Ų52.339%0.39328%0.277SS..Hα-helixtrans-69.5-34.7177.962.60000111.5G33 D34 A40 K41G33-T37 PolarHBondContact O-N 3.46Å; D34-T37 WeakPolarHBondContact CA-OG1 3.44Å; D34-T37 PolarHBondContact O-N 3.2Å; D34-T37 PolarHBondContact O-OG1 2.95Å; T37-A40 WeakPolarHBondContact O-CB 3.43Å; T37-A40 PolarHBondContact O-N 3.13Å; T37-K41 PolarHBondContact O-N 3.49Å
38R95.1Very high94.4Very high102 Ų10254.6 Ų54.639%0.38530%0.302SS..Hα-helixtrans-66.1-43.9171.6-69.8167.3-167.4-164.511.8112.2D34 L36 A40 K41 V42 A125 I126 Y129D34-R38 WeakPolarHBondContact O-CB 3.39Å; D34-R38 VanDerWaalsContact O-CG 3.23Å; D34-R38 WeakPolarHBondContact O-CG 3.16Å; D34-R38 PolarHBondContact O-N 3.42Å; L36-R38 VanDerWaalsContact C-N 3.35Å; R38-A40 PolarHBondContact O-N 3.41Å; R38-K41 WeakPolarHBondContact O-CB 3.33Å; R38-K41 PolarHBondContact O-N 2.88Å; R38-V42 PolarHBondContact O-N 2.91Å; R38-V42 VanDerWaalsContact O-N 3.12Å; R38-A125 WeakPolarHBondContact CD-O 3.14Å; R38-A125 PolarHBondContact NE-O 3.49Å; R38-A125 PolarHBondContact NH1-O 2.79Å; R38-I126 HydrophobicContact CB-CG2 4.43Å; R38-Y129 HydrophobicContact CB-CE2 4.41Å; R38-Y129 WeakPolarHBondContact CB-OH 3.37Å
39A95.8Very high94.4Very high0 Ų054 Ų540%029%0.291CS..Hα-helixtrans-59-35.4173.200000112.4I27 V29 R35 L36 V42 L43 Y129I27-A39 HydrophobicContact CD1-CB 4.36Å; I27-A39 HydrophobicContact CG2-CB 4.05Å; V29-A39 HydrophobicContact CG2-CB 3.87Å; R35-A39 PolarHBondContact O-N 3.32Å; R35-A39 VanDerWaalsContact O-N 3.14Å; L36-A39 PolarHBondContact O-N 2.92Å; A39-V42 WeakPolarHBondContact O-CB 3.32Å; A39-V42 PolarHBondContact O-N 3.23Å; A39-L43 PolarHBondContact O-N 3.06Å; A39-L43 VanDerWaalsContact O-N 3.17Å; A39-Y129 HydrophobicContact CB-CD1 4.02Å; A39-Y129 HydrophobicContact CB-CE1 3.79Å; A39-Y129 HydrophobicContact CB-CE2 4.4Å; A39-Y129 HydrophobicContact CB-CG 4.4Å
40A95.7Very high94.5Very high8 Ų860.8 Ų60.87%0.06632%0.321CS..Hα-helixtrans-62.5-41.9173.400000112.1L36 T37 R38 V42 L43 E44 P51 F53 V73L36-A40 PolarHBondContact O-N 2.72Å; T37-A40 WeakPolarHBondContact O-CB 3.43Å; T37-A40 PolarHBondContact O-N 3.13Å; R38-A40 PolarHBondContact O-N 3.41Å; A40-V42 VanDerWaalsContact C-N 3.31Å; A40-V42 PolarHBondContact O-N 3.4Å; A40-L43 PolarHBondContact O-N 2.96Å; A40-E44 WeakPolarHBondContact O-CB 3.47Å; A40-E44 PolarHBondContact O-N 3.14Å; A40-P51 HydrophobicContact CB-CG 3.98Å; A40-F53 HydrophobicContact CB-CE1 3.94Å; A40-F53 HydrophobicContact CB-CZ 3.68Å; A40-V73 HydrophobicContact CB-CG1 4.09Å; A40-V73 HydrophobicContact CB-CG2 4.09Å
41K94.6Very high94.7Very high120 Ų12060 Ų6052%0.52231%0.311SS..Hα-helixtrans-62-37.6175.5-67.3-179.6177.9-177.70112.4T37 R38 E44 Q45T37-K41 PolarHBondContact O-N 3.49Å; R38-K41 WeakPolarHBondContact O-CB 3.33Å; R38-K41 PolarHBondContact O-N 2.88Å; K41-E44 PolarHBondContact O-N 2.87Å; K41-Q45 WeakPolarHBondContact O-CB 3.43Å; K41-Q45 WeakPolarHBondContact O-CG 3.49Å; K41-Q45 PolarHBondContact O-N 2.94Å
42V95.1Very high94.8Very high1 Ų159.9 Ų59.91%0.00632%0.316CS..Hα-helixtrans-60.8-48.6174.9175.50000111.1R38 A39 A40 E44 Q45 L46 H115 L120 I126 Y129R38-V42 PolarHBondContact O-N 2.91Å; R38-V42 VanDerWaalsContact O-N 3.12Å; A39-V42 WeakPolarHBondContact O-CB 3.32Å; A39-V42 PolarHBondContact O-N 3.23Å; A40-V42 VanDerWaalsContact C-N 3.31Å; A40-V42 PolarHBondContact O-N 3.4Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3Å; V42-Q45 PolarHBondContact O-N 2.81Å; V42-L46 WeakPolarHBondContact O-CB 3.41Å; V42-L46 PolarHBondContact O-N 3.07Å; V42-H115 HydrophobicContact CG1-CB 3.99Å; V42-L120 HydrophobicContact CG1-CD1 4.3Å; V42-I126 HydrophobicContact CG2-CG2 3.25Å; V42-Y129 HydrophobicContact CG2-CD2 4.02Å; V42-Y129 HydrophobicContact CG2-CE2 4.38Å
43L95Very high95Very high0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-64.3-36.7177.9-79.7171.9000112L25 I27 A39 A40 L46 T47 P51 V73 L131L25-L43 HydrophobicContact CB-CD2 3.91Å; L25-L43 HydrophobicContact CD1-CD2 4.41Å; I27-L43 HydrophobicContact CB-CD1 4.43Å; I27-L43 HydrophobicContact CD1-CD1 4.02Å; I27-L43 HydrophobicContact CD1-CD2 4.24Å; I27-L43 HydrophobicContact CD1-CG 3.73Å; I27-L43 HydrophobicContact CG1-CD1 3.99Å; I27-L43 HydrophobicContact CG1-CD2 4.36Å; I27-L43 HydrophobicContact CG1-CG 4.12Å; A39-L43 PolarHBondContact O-N 3.06Å; A39-L43 VanDerWaalsContact O-N 3.17Å; A40-L43 PolarHBondContact O-N 2.96Å; L43-L46 PolarHBondContact O-N 3.13Å; L43-T47 WeakPolarHBondContact O-CB 3.34Å; L43-T47 WeakPolarHBondContact O-CG2 3.36Å; L43-T47 PolarHBondContact O-N 3.33Å; L43-T47 PolarHBondContact O-OG1 3.17Å; L43-P51 HydrophobicContact CB-CB 4.22Å; L43-P51 HydrophobicContact CB-CG 4.39Å; L43-V73 HydrophobicContact CD1-CB 3.94Å; L43-V73 HydrophobicContact CD1-CG1 3.6Å; L43-L131 HydrophobicContact CD2-CD1 3.67Å
44E95.1Very high95.2Very high97 Ų9760.9 Ų60.945%0.45331%0.307SS..Hα-helixtrans-65.4-43.7175.7-172.6170.8-161.100111.6A40 K41 V42 G48A40-E44 WeakPolarHBondContact O-CB 3.47Å; A40-E44 PolarHBondContact O-N 3.14Å; K41-E44 PolarHBondContact O-N 2.87Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3Å; E44-G48 WeakPolarHBondContact O-CA 3.34Å; E44-G48 PolarHBondContact O-N 3.23Å
45Q93.5Very high95.3Very high115 Ų11562.4 Ų62.454%0.53731%0.309SS..Hα-helixtrans-63.5-42.4175.2-75.1177.1-14.500112.2K41 V42 L120K41-Q45 WeakPolarHBondContact O-CB 3.43Å; K41-Q45 WeakPolarHBondContact O-CG 3.49Å; K41-Q45 PolarHBondContact O-N 2.94Å; V42-Q45 PolarHBondContact O-N 2.81Å; Q45-L120 HydrophobicContact CB-CD2 4.38Å
46L93.5Very high95.4Very high19 Ų1956.6 Ų56.610%0.09929%0.289CS..Hα-helixtrans-68.7-44.7179.6-176.665.7000112.3L25 V42 L43 I85 L118 L120 L131L25-L46 HydrophobicContact CD1-CD2 3.99Å; V42-L46 WeakPolarHBondContact O-CB 3.41Å; V42-L46 PolarHBondContact O-N 3.07Å; L43-L46 PolarHBondContact O-N 3.13Å; L46-I85 HydrophobicContact CD2-CG2 4.34Å; L46-I85 HydrophobicContact CG-CG2 4.38Å; L46-L118 HydrophobicContact CD1-CB 4.2Å; L46-L118 HydrophobicContact CD1-CD1 3.99Å; L46-L118 HydrophobicContact CD2-CD1 3.73Å; L46-L120 HydrophobicContact CB-CD1 4.3Å; L46-L120 HydrophobicContact CD1-CD1 4.41Å; L46-L131 HydrophobicContact CD2-CD2 3.61Å
47T94Very high95.4Very high0 Ų063.6 Ų63.60%032%0.321CS..Hα-helixtrans-96.6-19.3-171.364.60000113.8L25 L43 Q49 C75 V77 K81 I85L25-T47 HydrophobicContact CD1-CG2 3.52Å; L43-T47 WeakPolarHBondContact O-CB 3.34Å; L43-T47 WeakPolarHBondContact O-CG2 3.36Å; L43-T47 PolarHBondContact O-N 3.33Å; L43-T47 PolarHBondContact O-OG1 3.17Å; T47-Q49 PolarHBondContact O-N 2.91Å; T47-Q49 PolarHBondContact OG1-N 2.92Å; T47-Q49 PolarHBondContact OG1-O 2.73Å; T47-C75 HydrophobicContact CG2-CB 4.21Å; T47-C75 PolarHBondContact OG1-SG 2.99Å; T47-V77 HydrophobicContact CG2-CG2 3.58Å; T47-K81 WeakPolarHBondContact O-CE 3.03Å; T47-K81 PolarHBondContact O-NZ 3.31Å; T47-I85 HydrophobicContact CG2-CD1 4.22Å
48G93.7Very high95.4Very high53 Ų5367.2 Ų67.255%0.54633%0.331SS..SBendtrans57.228.8-167.500000112.9E44E44-G48 WeakPolarHBondContact O-CA 3.34Å; E44-G48 PolarHBondContact O-N 3.23Å
49Q95.2Very high95.5Very high72 Ų7266.9 Ų66.934%0.33634%0.34SS..SBendtrans-130.5147.9179.5-64.2-177.69.200109.6T47 P51 T76T47-Q49 PolarHBondContact O-N 2.91Å; T47-Q49 PolarHBondContact OG1-N 2.92Å; T47-Q49 PolarHBondContact OG1-O 2.73Å; Q49-P51 VanDerWaalsContact O-CD 3.3Å; Q49-P51 WeakPolarHBondContact O-CD 3.49Å; Q49-T76 PolarHBondContact OE1-O 2.98Å
50Q95.7Very high95.5Very high170 Ų17070.2 Ų70.279%0.79436%0.358SS*.  trans-69.5118.2174.1-170.7179.312.800109.9
51P97.4Very high95.5Very high11 Ų1181 Ų817%0.07140%0.396CS..  trans-82.9162.2-177.936.7-37.9000111.8A40 L43 Q49 V73 C75A40-P51 HydrophobicContact CB-CG 3.98Å; L43-P51 HydrophobicContact CB-CB 4.22Å; L43-P51 HydrophobicContact CB-CG 4.39Å; Q49-P51 VanDerWaalsContact O-CD 3.3Å; Q49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-V73 HydrophobicContact CB-CG1 3.43Å; P51-V73 VanDerWaalsContact CB-CG1 3.43Å; P51-V73 HydrophobicContact CG-CG1 3.7Å; P51-C75 HydrophobicContact CB-CB 4.23Å
52V97.2Very high95.6Very high85 Ų8581 Ų8152%0.51541%0.407SS..EExtended strand (participates in β ladder)trans-106.2131.4-177.7-178.70000110.4H74V52-H74 PolarHBondContact N-O 2.92Å; V52-H74 PolarHBondContact O-N 2.77Å; V52-H74 PolarHBondContact O-ND1 2.83Å; V52-H74 VanDerWaalsContact O-ND1 3.11Å
53F97.2Very high95.6Very high73 Ų7387.6 Ų87.632%0.3244%0.436SS..EExtended strand (participates in β ladder)trans-79127.8174.9-64.3-86.8000111.3L36 A40 K70 V73L36-F53 HydrophobicContact CD2-CD1 3.91Å; L36-F53 HydrophobicContact CD2-CE1 4.31Å; L36-F53 HydrophobicContact CG-CD1 4.08Å; L36-F53 HydrophobicContact CG-CE1 4.09Å; A40-F53 HydrophobicContact CB-CE1 3.94Å; A40-F53 HydrophobicContact CB-CZ 3.68Å; F53-K70 HydrophobicContact CB-CD 4Å; F53-K70 HydrophobicContact CB-CG 4.27Å; F53-K70 HydrophobicContact CD1-CD 4.29Å; F53-K70 HydrophobicContact CG-CD 4.14Å; F53-V73 HydrophobicContact CD1-CG2 3.49Å; F53-V73 VanDerWaalsContact CD1-CG2 3.49Å; F53-V73 HydrophobicContact CE1-CG2 3.55Å; F53-V73 HydrophobicContact CG-CG2 4.39Å; F53-V73 HydrophobicContact CZ-CG2 4.49Å
54S96.7Very high95.6Very high43 Ų4392.6 Ų92.630%0.30147%0.471SS..EExtended strand (participates in β ladder)trans-93138.4174.5-66.20000111.3K70 I71 A72 H74S54-K70 WeakPolarHBondContact O-CA 3.31Å; S54-I71 PolarHBondContact O-N 3.16Å; S54-A72 PolarHBondContact N-O 3.26Å; S54-H74 PolarHBondContact OG-CE1 3.46Å; S54-H74 VanDerWaalsContact OG-CE1 3.3Å; S54-H74 PolarHBondContact OG-ND1 3Å
55K96.2Very high95.6Very high143 Ų14389 Ų8962%0.62246%0.455SS*.EExtended strand (participates in β ladder)trans-101.8150.5-179.7-61.6-179-175.6178.70112.2E69K55-E69 CarbonylContact C-O 3.55Å; K55-E69 VanDerWaalsContact CA-O 3.22Å; K55-E69 WeakPolarHBondContact CA-O 3.46Å
56A96.5Very high95.7Very high9 Ų992.6 Ų92.67%0.07446%0.463CS..PPolyproline II helixtrans-64.7132.1171.600000111.6I65 R66 N68 E69 I71A56-I65 HydrophobicContact CB-CG2 3.6Å; A56-R66 WeakPolarHBondContact CB-O 3.21Å; A56-N68 WeakPolarHBondContact O-CA 3.46Å; A56-N68 PolarHBondContact O-N 3.47Å; A56-E69 PolarHBondContact N-O 2.95Å; A56-I71 HydrophobicContact CB-CD1 3.14Å; A56-I71 HydrophobicContact CB-CG1 4.39Å
57H95.5Very high95.8Very high150 Ų15099.6 Ų99.669%0.69449%0.488SS*.SBendtrans-79.6-35173.8-171.8-93.3000112.9
58K96Very high95.9Very high141 Ų141104.5 Ų104.561%0.61351%0.514SS*.SBendtrans-135.2155.5-177.7-64-176.5179.3-179.50110.5
59T96.7Very high96Very high94 Ų94104 Ų10458%0.57750%0.498SS*.  trans-78.3128.1167.7-58.30000108.8I65 R67T59-I65 CarbonylContact C-O 3.49Å; T59-I65 WeakPolarHBondContact CA-O 3.23Å; T59-I65 WeakPolarHBondContact CG2-O 3.34Å; T59-R67 PolarHBondContact OG1-N 3.47Å
60I95.5Very high96Very high70 Ų70105.6 Ų105.636%0.35950%0.504SS..BIsolated β-bridgetrans-132110.1178.3-58.2175.7000107.9T62 F63 S64 I65I60-T62 VanDerWaalsContact CG2-OG1 3.29Å; I60-T62 WeakPolarHBondContact CG2-OG1 3.4Å; I60-T62 PolarHBondContact O-N 3.31Å; I60-F63 HydrophobicContact CB-CD2 4.22Å; I60-F63 HydrophobicContact CD1-CD2 4.23Å; I60-F63 HydrophobicContact CG2-CB 4.44Å; I60-F63 HydrophobicContact CG2-CD2 3.62Å; I60-F63 HydrophobicContact CG2-CE2 4.19Å; I60-F63 HydrophobicContact CG2-CG 4.22Å; I60-F63 PolarHBondContact O-N 3.45Å; I60-S64 PolarHBondContact O-N 2.81Å; I60-I65 PolarHBondContact N-O 3.04Å; I60-I65 PolarHBondContact O-N 2.88Å; I60-I65 VanDerWaalsContact O-N 3.12Å
61R95.6Very high96.1Very high234 Ų23498.3 Ų98.388%0.88347%0.47SS*.G310 helixtrans-66.2-36.4-174.1-174.9175177.7159.2-0.3113F63 S64R61-F63 PolarHBondContact O-N 2.99Å; R61-S64 PolarHBondContact O-N 3.13Å
62T97.5Very high96Very high121 Ų12198.6 Ų98.674%0.74247%0.473SS*.G310 helixtrans-63.6-28.8-179.749.60000113.2I60I60-T62 VanDerWaalsContact CG2-OG1 3.29Å; I60-T62 WeakPolarHBondContact CG2-OG1 3.4Å; I60-T62 PolarHBondContact O-N 3.31Å
63F94.6Very high96.1Very high139 Ų13994.5 Ų94.561%0.6145%0.449SS*.G310 helixtrans-99.56.2175.7-57.3-41.5000112.8I60 R61 I65I60-F63 HydrophobicContact CB-CD2 4.22Å; I60-F63 HydrophobicContact CD1-CD2 4.23Å; I60-F63 HydrophobicContact CG2-CB 4.44Å; I60-F63 HydrophobicContact CG2-CD2 3.62Å; I60-F63 HydrophobicContact CG2-CE2 4.19Å; I60-F63 HydrophobicContact CG2-CG 4.22Å; I60-F63 PolarHBondContact O-N 3.45Å; R61-F63 PolarHBondContact O-N 2.99Å; F63-I65 HydrophobicContact CB-CD1 3.73Å; F63-I65 HydrophobicContact CB-CG1 4.21Å; F63-I65 WeakPolarHBondContact O-CG1 3.41Å; F63-I65 PolarHBondContact O-N 3.22Å; F63-I65 VanDerWaalsContact O-N 3.16Å
64S94.2Very high96.1Very high106 Ų10694.1 Ų94.174%0.74145%0.448SS*.THydrogen-bonded Turntrans56.926.7-177.2-58.90000114.7I60 R61I60-S64 PolarHBondContact O-N 2.81Å; R61-S64 PolarHBondContact O-N 3.13Å
65I95.3Very high96.1Very high21 Ų2192.4 Ų92.411%0.10844%0.435CS..BIsolated β-bridgetrans-101.5136.1-174.3-77.4162.8000111.4G30 A56 T59 I60 F63 I71G30-I65 WeakPolarHBondContact O-CG1 3.47Å; A56-I65 HydrophobicContact CB-CG2 3.6Å; T59-I65 CarbonylContact C-O 3.49Å; T59-I65 WeakPolarHBondContact CA-O 3.23Å; T59-I65 WeakPolarHBondContact CG2-O 3.34Å; I60-I65 PolarHBondContact N-O 3.04Å; I60-I65 PolarHBondContact O-N 2.88Å; I60-I65 VanDerWaalsContact O-N 3.12Å; F63-I65 HydrophobicContact CB-CD1 3.73Å; F63-I65 HydrophobicContact CB-CG1 4.21Å; F63-I65 WeakPolarHBondContact O-CG1 3.41Å; F63-I65 PolarHBondContact O-N 3.22Å; F63-I65 VanDerWaalsContact O-N 3.16Å; I65-I71 HydrophobicContact CB-CD1 4.31Å; I65-I71 HydrophobicContact CD1-CD1 3.96Å; I65-I71 HydrophobicContact CD1-CG1 4.4Å; I65-I71 HydrophobicContact CD1-CG2 4.2Å; I65-I71 HydrophobicContact CG1-CD1 3.97Å; I65-I71 HydrophobicContact CG1-CG1 4.25Å; I65-I71 HydrophobicContact CG2-CD1 3.38Å; I65-I71 HydrophobicContact CG2-CG1 4.33Å
66R95.3Very high96.2Very high190 Ų19087.4 Ų87.472%0.71742%0.417SS*.PPolyproline II helixtrans-103151.5172.7-59.8179.3-179.2177.91112.4A56 N68 E69A56-R66 WeakPolarHBondContact CB-O 3.21Å; R66-N68 PolarHBondContact O-N 3.03Å; R66-E69 HydrophobicContact CB-CB 4.46Å; R66-E69 WeakPolarHBondContact CB-OE2 3.15Å; R66-E69 PolarHBondContact N-OE2 3Å; R66-E69 WeakPolarHBondContact O-CB 3.24Å; R66-E69 PolarHBondContact O-N 3.37Å
67R95.9Very high96.2Very high166 Ų16687 Ų8763%0.62641%0.413SS*.THydrogen-bonded Turntrans-56.4139.1175.9-174.5177-175.7-169.30.1111.3T59 E69T59-R67 PolarHBondContact OG1-N 3.47Å; R67-E69 PolarHBondContact O-N 3.46Å
68N95.6Very high96.3Very high103 Ų10387 Ų8755%0.55141%0.407SS*.THydrogen-bonded Turntrans63.86-178.6-62.9-35.8000116A56 R66A56-N68 WeakPolarHBondContact O-CA 3.46Å; A56-N68 PolarHBondContact O-N 3.47Å; R66-N68 PolarHBondContact O-N 3.03Å
69E95.4Very high96.2Very high43 Ų4382.2 Ų82.220%0.20140%0.399CS..  trans-68.7141.1172.4-172.4170.5-175.700110.8S32 K55 A56 R66 R67S32-E69 VanDerWaalsContact CB-OE1 3.27Å; S32-E69 WeakPolarHBondContact CB-OE1 3.29Å; S32-E69 PolarHBondContact OG-OE1 3.34Å; K55-E69 CarbonylContact C-O 3.55Å; K55-E69 VanDerWaalsContact CA-O 3.22Å; K55-E69 WeakPolarHBondContact CA-O 3.46Å; A56-E69 PolarHBondContact N-O 2.95Å; R66-E69 HydrophobicContact CB-CB 4.46Å; R66-E69 WeakPolarHBondContact CB-OE2 3.15Å; R66-E69 PolarHBondContact N-OE2 3Å; R66-E69 WeakPolarHBondContact O-CB 3.24Å; R66-E69 PolarHBondContact O-N 3.37Å; R67-E69 PolarHBondContact O-N 3.46Å
70K96.9Very high96.2Very high106 Ų10682.3 Ų82.346%0.46140%0.401SS..EExtended strand (participates in β ladder)trans-76.6125.9174.8-62.8177.3-179.7176.60108.7S32 L36 F53 S54S32-K70 WeakPolarHBondContact CA-O 3.34Å; S32-K70 VanDerWaalsContact CB-O 3.31Å; S32-K70 WeakPolarHBondContact CB-O 3.31Å; L36-K70 VanDerWaalsContact CD2-C 3.46Å; L36-K70 HydrophobicContact CD2-CB 3.54Å; L36-K70 WeakPolarHBondContact CD2-O 3.41Å; F53-K70 HydrophobicContact CB-CD 4Å; F53-K70 HydrophobicContact CB-CG 4.27Å; F53-K70 HydrophobicContact CD1-CD 4.29Å; F53-K70 HydrophobicContact CG-CD 4.14Å; S54-K70 WeakPolarHBondContact O-CA 3.31Å
71I96.4Very high96.2Very high17 Ų1782.8 Ų82.89%0.08740%0.4CS..EExtended strand (participates in β ladder)trans-128.5-31.8-170.8-66.7156.3000113.2V29 G30 L36 S54 A56 I65V29-I71 PolarHBondContact N-O 3.16Å; G30-I71 PolarHBondContact N-O 3.02Å; L36-I71 WeakPolarHBondContact CD1-O 3.49Å; S54-I71 PolarHBondContact O-N 3.16Å; A56-I71 HydrophobicContact CB-CD1 3.14Å; A56-I71 HydrophobicContact CB-CG1 4.39Å; I65-I71 HydrophobicContact CB-CD1 4.31Å; I65-I71 HydrophobicContact CD1-CD1 3.96Å; I65-I71 HydrophobicContact CD1-CG1 4.4Å; I65-I71 HydrophobicContact CD1-CG2 4.2Å; I65-I71 HydrophobicContact CG1-CD1 3.97Å; I65-I71 HydrophobicContact CG1-CG1 4.25Å; I65-I71 HydrophobicContact CG2-CD1 3.38Å; I65-I71 HydrophobicContact CG2-CG1 4.33Å
72A97.1Very high96.2Very high16 Ų1671.7 Ų71.713%0.13236%0.359CS..EExtended strand (participates in β ladder)trans-134.5158.1-174.800000109.9I27 C28 S54I27-A72 VanDerWaalsContact O-CA 3.27Å; I27-A72 WeakPolarHBondContact O-CA 3.41Å; I27-A72 WeakPolarHBondContact O-CB 3.46Å; C28-A72 HydrophobicContact CB-CB 4.21Å; S54-A72 PolarHBondContact N-O 3.26Å
73V97.4Very high96.1Very high0 Ų069.9 Ų69.90%034%0.341CS..EExtended strand (participates in β ladder)trans-125.5136.2173.9-177.80000107.4D26 I27 L36 A40 L43 P51 F53D26-V73 WeakPolarHBondContact CA-O 3.4Å; I27-V73 PolarHBondContact N-O 2.96Å; I27-V73 PolarHBondContact O-N 3.1Å; L36-V73 HydrophobicContact CD1-CG2 3.64Å; L36-V73 HydrophobicContact CG-CG2 3.93Å; A40-V73 HydrophobicContact CB-CG1 4.09Å; A40-V73 HydrophobicContact CB-CG2 4.09Å; L43-V73 HydrophobicContact CD1-CB 3.94Å; L43-V73 HydrophobicContact CD1-CG1 3.6Å; P51-V73 HydrophobicContact CB-CG1 3.43Å; P51-V73 VanDerWaalsContact CB-CG1 3.43Å; P51-V73 HydrophobicContact CG-CG1 3.7Å; F53-V73 HydrophobicContact CD1-CG2 3.49Å; F53-V73 VanDerWaalsContact CD1-CG2 3.49Å; F53-V73 HydrophobicContact CE1-CG2 3.55Å; F53-V73 HydrophobicContact CG-CG2 4.39Å; F53-V73 HydrophobicContact CZ-CG2 4.49Å
74H97.3Very high96.1Very high65 Ų6568.4 Ų68.430%0.30134%0.337SS..EExtended strand (participates in β ladder)trans-136152.217767.8-72.9000111.2L25 D26 V52 S54L25-H74 CarbonylContact O-C 3.35Å; L25-H74 WeakPolarHBondContact O-CA 3.41Å; L25-H74 WeakPolarHBondContact O-CB 3.25Å; D26-H74 HydrophobicContact CB-CB 4.02Å; V52-H74 PolarHBondContact N-O 2.92Å; V52-H74 PolarHBondContact O-N 2.77Å; V52-H74 PolarHBondContact O-ND1 2.83Å; V52-H74 VanDerWaalsContact O-ND1 3.11Å; S54-H74 PolarHBondContact OG-CE1 3.46Å; S54-H74 VanDerWaalsContact OG-CE1 3.3Å; S54-H74 PolarHBondContact OG-ND1 3Å
75C97.2Very high96.2Very high6 Ų663.7 Ų63.74%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-133.8147.5175.5-167.70000109.4L25 T47 P51L25-C75 PolarHBondContact N-O 3.34Å; L25-C75 PolarHBondContact O-N 3.42Å; T47-C75 HydrophobicContact CG2-CB 4.21Å; T47-C75 PolarHBondContact OG1-SG 2.99Å; P51-C75 HydrophobicContact CB-CB 4.23Å
76T97.9Very high96.2Very high38 Ų3862.7 Ų62.723%0.23330%0.298CS..EExtended strand (participates in β ladder)trans-122.1110.9177.1-65.80000109.4K22 L23 Q49K22-T76 HydrophobicContact CB-CG2 3.98Å; K22-T76 HydrophobicContact CD-CG2 3.76Å; K22-T76 HydrophobicContact CG-CG2 4.35Å; L23-T76 CarbonylContact O-C 3.59Å; L23-T76 WeakPolarHBondContact O-CA 3.38Å; Q49-T76 PolarHBondContact OE1-O 2.98Å
77V97.2Very high96.2Very high0 Ų058.5 Ų58.50%029%0.286CS..EExtended strand (participates in β ladder)trans-100.4145.2179.5-1680000109.5K22 L23 T47 K81 A82 I85K22-V77 WeakPolarHBondContact CA-O 3.17Å; L23-V77 PolarHBondContact N-O 3Å; L23-V77 PolarHBondContact O-N 2.99Å; T47-V77 HydrophobicContact CG2-CG2 3.58Å; V77-K81 HydrophobicContact CG1-CB 3.86Å; V77-K81 HydrophobicContact CG1-CG 4.31Å; V77-A82 HydrophobicContact CB-CB 4.31Å; V77-A82 HydrophobicContact CG1-CB 4.08Å; V77-I85 HydrophobicContact CG1-CD1 4.24Å; V77-I85 HydrophobicContact CG2-CD1 4.2Å
78R96.9Very high96.1Very high150 Ų15055.9 Ų55.957%0.56628%0.279SS*.  trans-139.2162.5178.2-63.6-172.9-179.791.2-5.6110.3K22K22-R78 HydrophobicContact CB-CG 3.72Å
79G95.1Very high96.1Very high42 Ų4251 Ų5143%0.43325%0.253SS..SBendtrans75.4-155.6177.100000112.5K81 A82G79-K81 VanDerWaalsContact C-N 3.26Å; G79-K81 PolarHBondContact O-N 2.97Å; G79-A82 WeakPolarHBondContact O-CB 3.43Å; G79-A82 PolarHBondContact O-N 2.73Å
80P95.6Very high96.1Very high96 Ų9648.9 Ų48.962%0.62324%0.244SC*.Hα-helixtrans-60.7-36.5-17323.4-33.1000112.3A82 E83 E84P80-A82 PolarHBondContact O-N 2.96Å; P80-A82 VanDerWaalsContact O-N 3.14Å; P80-E83 WeakPolarHBondContact O-CB 3.4Å; P80-E83 PolarHBondContact O-N 3.25Å; P80-E84 PolarHBondContact O-N 3.06Å
81K95.1Very high96Very high80 Ų8051.1 Ų51.135%0.34825%0.253SS..Hα-helixtrans-59.6-28.6176.8-146.6177.5-164.4-178.10113.2T47 V77 G79 I85T47-K81 WeakPolarHBondContact O-CE 3.03Å; T47-K81 PolarHBondContact O-NZ 3.31Å; V77-K81 HydrophobicContact CG1-CB 3.86Å; V77-K81 HydrophobicContact CG1-CG 4.31Å; G79-K81 VanDerWaalsContact C-N 3.26Å; G79-K81 PolarHBondContact O-N 2.97Å; K81-I85 HydrophobicContact CG-CD1 4.44Å; K81-I85 WeakPolarHBondContact O-CD1 3.25Å; K81-I85 VanDerWaalsContact O-CG1 3.23Å; K81-I85 WeakPolarHBondContact O-CG1 3.21Å; K81-I85 PolarHBondContact O-N 3.32Å
82A96.2Very high95.9Very high1 Ų152.3 Ų52.31%0.00826%0.261CS..Hα-helixtrans-74.4-34.1175.700000112L23 V77 G79 P80 L86L23-A82 HydrophobicContact CB-CB 3.9Å; V77-A82 HydrophobicContact CB-CB 4.31Å; V77-A82 HydrophobicContact CG1-CB 4.08Å; G79-A82 WeakPolarHBondContact O-CB 3.43Å; G79-A82 PolarHBondContact O-N 2.73Å; P80-A82 PolarHBondContact O-N 2.96Å; P80-A82 VanDerWaalsContact O-N 3.14Å; A82-L86 WeakPolarHBondContact O-CB 3.46Å; A82-L86 PolarHBondContact O-N 3Å
83E95.4Very high95.8Very high82 Ų8255.3 Ų55.338%0.38327%0.271SS..Hα-helixtrans-68.2-46.9175.7-75.8175.1-172.400110.6I20 P80 I85 L86 E87I20-E83 HydrophobicContact CD1-CG 3.71Å; P80-E83 WeakPolarHBondContact O-CB 3.4Å; P80-E83 PolarHBondContact O-N 3.25Å; E83-I85 PolarHBondContact O-N 3.26Å; E83-L86 PolarHBondContact O-N 3.16Å; E83-E87 WeakPolarHBondContact O-CB 3.38Å; E83-E87 PolarHBondContact O-N 2.87Å
84E95Very high95.7Very high109 Ų10962.2 Ų62.251%0.50930%0.303SS..Hα-helixtrans-57.4-46.6176.8-67.8170-163.700112.6P80 E87 K88P80-E84 PolarHBondContact O-N 3.06Å; E84-E87 PolarHBondContact O-N 2.8Å; E84-K88 WeakPolarHBondContact O-CG 2.96Å; E84-K88 PolarHBondContact O-N 2.84Å; E84-K88 VanDerWaalsContact O-N 3.13Å
85I95.6Very high95.6Very high7 Ų762 Ų624%0.03630%0.301CS..Hα-helixtrans-70.7-36.6-179.4-64.6169000110.9L23 L25 L46 T47 V77 K81 E83 G89 F133L23-I85 HydrophobicContact CD2-CB 4.02Å; L23-I85 HydrophobicContact CD2-CG2 3.8Å; L25-I85 HydrophobicContact CD1-CG2 4.1Å; L46-I85 HydrophobicContact CD2-CG2 4.34Å; L46-I85 HydrophobicContact CG-CG2 4.38Å; T47-I85 HydrophobicContact CG2-CD1 4.22Å; V77-I85 HydrophobicContact CG1-CD1 4.24Å; V77-I85 HydrophobicContact CG2-CD1 4.2Å; K81-I85 HydrophobicContact CG-CD1 4.44Å; K81-I85 WeakPolarHBondContact O-CD1 3.25Å; K81-I85 VanDerWaalsContact O-CG1 3.23Å; K81-I85 WeakPolarHBondContact O-CG1 3.21Å; K81-I85 PolarHBondContact O-N 3.32Å; E83-I85 PolarHBondContact O-N 3.26Å; I85-G89 PolarHBondContact O-N 3.2Å; I85-F133 HydrophobicContact CG2-CE1 3.83Å; I85-F133 HydrophobicContact CG2-CZ 4.31Å
86L95.7Very high95.5Very high0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-65.1-43.6175.8178.460.4000111.3I20 L23 A82 E83 K88 G89 L90 F108 F110 V135 F173I20-L86 HydrophobicContact CD1-CD2 3.56Å; L23-L86 HydrophobicContact CD1-CD1 4.48Å; L23-L86 HydrophobicContact CD2-CB 4.39Å; A82-L86 WeakPolarHBondContact O-CB 3.46Å; A82-L86 PolarHBondContact O-N 3Å; E83-L86 PolarHBondContact O-N 3.16Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.08Å; L86-G89 PolarHBondContact O-N 3.02Å; L86-G89 VanDerWaalsContact O-N 3.13Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CD2 4.49Å; L86-L90 HydrophobicContact CD1-CG 3.93Å; L86-L90 HydrophobicContact CD2-CD1 4.35Å; L86-L90 HydrophobicContact CG-CD1 3.82Å; L86-L90 HydrophobicContact CG-CG 4.17Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 3.15Å; L86-F108 HydrophobicContact CD2-CZ 4.36Å; L86-F110 HydrophobicContact CD1-CE1 3.88Å; L86-F110 HydrophobicContact CD1-CZ 4.06Å; L86-V135 HydrophobicContact CD1-CG2 3.47Å; L86-V135 VanDerWaalsContact CD1-CG2 3.47Å; L86-V135 HydrophobicContact CD2-CG1 4.21Å; L86-V135 HydrophobicContact CD2-CG2 3.87Å; L86-V135 HydrophobicContact CG-CG2 4.31Å; L86-F173 HydrophobicContact CD2-CE2 3.94Å; L86-F173 HydrophobicContact CD2-CZ 3.91Å; L86-F173 HydrophobicContact CG-CZ 4.37Å
87E94.9Very high95.3Very high101 Ų10163.3 Ų63.347%0.47230%0.304SS..Hα-helixtrans-60.9-43.6178.2-173.7173.2-165.400111.4E83 E84 G89 L90 K91E83-E87 WeakPolarHBondContact O-CB 3.38Å; E83-E87 PolarHBondContact O-N 2.87Å; E84-E87 PolarHBondContact O-N 2.8Å; E87-G89 VanDerWaalsContact C-N 3.33Å; E87-G89 PolarHBondContact O-N 3.46Å; E87-L90 PolarHBondContact O-N 2.81Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 PolarHBondContact O-N 3.42Å
88K94.3Very high95.3Very high111 Ų11165 Ų6548%0.48331%0.314SS..Hα-helixtrans-57.6-45.1171.7-71.4179.1-178.5-175.60112.1E84 L86 K91 L118E84-K88 WeakPolarHBondContact O-CG 2.96Å; E84-K88 PolarHBondContact O-N 2.84Å; E84-K88 VanDerWaalsContact O-N 3.13Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.08Å; K88-K91 PolarHBondContact O-N 3.22Å; K88-L118 HydrophobicContact CB-CD2 4.17Å
89G95.3Very high95.2Very high0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-67.3-38.417900000113.8I85 L86 E87 V92I85-G89 PolarHBondContact O-N 3.2Å; L86-G89 PolarHBondContact O-N 3.02Å; L86-G89 VanDerWaalsContact O-N 3.13Å; E87-G89 VanDerWaalsContact C-N 3.33Å; E87-G89 PolarHBondContact O-N 3.46Å; G89-V92 PolarHBondContact O-N 3.16Å
90L95.4Very high95.1Very high0 Ų063.8 Ų63.80%031%0.312CS..Hα-helixtrans-69.7-33.9177.5-73.1173.9000112.1L86 E87 V92 K93 E94 Y95 L97 F110 F169 F173L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CD2 4.49Å; L86-L90 HydrophobicContact CD1-CG 3.93Å; L86-L90 HydrophobicContact CD2-CD1 4.35Å; L86-L90 HydrophobicContact CG-CD1 3.82Å; L86-L90 HydrophobicContact CG-CG 4.17Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 3.15Å; E87-L90 PolarHBondContact O-N 2.81Å; L90-V92 VanDerWaalsContact C-N 3.27Å; L90-V92 PolarHBondContact O-N 2.99Å; L90-K93 CarbonylContact O-C 3.5Å; L90-K93 WeakPolarHBondContact O-CA 3.31Å; L90-K93 PolarHBondContact O-N 3.14Å; L90-E94 PolarHBondContact O-N 2.98Å; L90-E94 VanDerWaalsContact O-N 3.1Å; L90-Y95 HydrophobicContact CB-CD1 3.74Å; L90-Y95 HydrophobicContact CB-CE1 3.79Å; L90-Y95 HydrophobicContact CB-CG 4.49Å; L90-Y95 HydrophobicContact CD1-CD1 4.34Å; L90-Y95 HydrophobicContact CD1-CE1 4.49Å; L90-Y95 PolarHBondContact O-N 3.37Å; L90-L97 HydrophobicContact CD2-CD1 4.1Å; L90-F110 HydrophobicContact CD2-CD1 4.31Å; L90-F110 HydrophobicContact CD2-CE1 3.59Å; L90-F110 HydrophobicContact CD2-CZ 3.94Å; L90-F110 HydrophobicContact CG-CE1 4.23Å; L90-F110 HydrophobicContact CG-CZ 4.22Å; L90-F169 HydrophobicContact CD1-CE2 3.83Å; L90-F169 HydrophobicContact CD2-CE2 3.63Å; L90-F169 HydrophobicContact CD2-CZ 4Å; L90-F169 HydrophobicContact CG-CE2 4.38Å; L90-F173 HydrophobicContact CD1-CB 4.42Å; L90-F173 HydrophobicContact CD1-CD1 4.02Å; L90-F173 HydrophobicContact CD1-CD2 3.84Å; L90-F173 HydrophobicContact CD1-CE1 4.18Å; L90-F173 HydrophobicContact CD1-CE2 3.99Å; L90-F173 HydrophobicContact CD1-CG 3.85Å; L90-F173 HydrophobicContact CD1-CZ 4.16Å
91K95Very high95.1Very high152 Ų15261.1 Ų61.166%0.66130%0.295SS*.Hα-helixtrans-58.9-38.9174.3-171.7176.7-177.5177.60112.3E87 K88 K93 E94 Y95E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 PolarHBondContact O-N 3.42Å; K88-K91 PolarHBondContact O-N 3.22Å; K91-K93 PolarHBondContact O-N 3.15Å; K91-E94 PolarHBondContact O-N 2.8Å; K91-E94 VanDerWaalsContact O-N 3.09Å; K91-Y95 HydrophobicContact CB-CE2 4.43Å
92V95.2Very high95.2Very high42 Ų4257.4 Ų57.426%0.25528%0.279SS..Hα-helixtrans-64.1-28.1175.5-178.30000112G89 L90 L112 D117 L118G89-V92 PolarHBondContact O-N 3.16Å; L90-V92 VanDerWaalsContact C-N 3.27Å; L90-V92 PolarHBondContact O-N 2.99Å; V92-L112 HydrophobicContact CB-CD1 4.37Å; V92-L112 HydrophobicContact CB-CD2 4.01Å; V92-L112 HydrophobicContact CG1-CD1 4.44Å; V92-L112 HydrophobicContact CG1-CD2 3.79Å; V92-L112 HydrophobicContact CG2-CD1 4.35Å; V92-D117 HydrophobicContact CB-CB 4.29Å; V92-D117 HydrophobicContact CG1-CB 3.62Å; V92-D117 HydrophobicContact CG2-CB 3.6Å; V92-D117 WeakPolarHBondContact CG2-O 3.33Å; V92-L118 HydrophobicContact CG2-CD2 4.31Å
93K94.2Very high95.2Very high79 Ų7958.8 Ų58.834%0.34329%0.288SS..THydrogen-bonded Turntrans-9713.1175.9-68.5-63-176-172.80113.4L90 K91 Y95 E96 F110 G111 L112L90-K93 CarbonylContact O-C 3.5Å; L90-K93 WeakPolarHBondContact O-CA 3.31Å; L90-K93 PolarHBondContact O-N 3.14Å; K91-K93 PolarHBondContact O-N 3.15Å; K93-Y95 PolarHBondContact O-N 3.26Å; K93-E96 PolarHBondContact O-N 2.77Å; K93-F110 HydrophobicContact CG-CD2 4Å; K93-F110 HydrophobicContact CG-CE2 4.4Å; K93-G111 WeakPolarHBondContact CE-O 3.43Å; K93-G111 PolarHBondContact NZ-O 2.84Å; K93-L112 HydrophobicContact CD-CD2 4.35Å; K93-L112 HydrophobicContact CG-CD2 3.98Å
94E94.8Very high95.1Very high145 Ų14563.8 Ų63.868%0.67831%0.309SS*.THydrogen-bonded Turntrans54.326.7-180-56.1-179.4156.400113.2L90 K91 E96L90-E94 PolarHBondContact O-N 2.98Å; L90-E94 VanDerWaalsContact O-N 3.1Å; K91-E94 PolarHBondContact O-N 2.8Å; K91-E94 VanDerWaalsContact O-N 3.09Å; E94-E96 HydrophobicContact CB-CG 4.3Å; E94-E96 PolarHBondContact O-N 3.04Å; E94-E96 VanDerWaalsContact O-N 3.11Å
95Y95Very high95Very high62 Ų6263 Ų6324%0.24331%0.312CS..THydrogen-bonded Turntrans57.218.1-172.9-55.1-92.6000114.5L90 K91 K93 F169 F173 G175 I176L90-Y95 HydrophobicContact CB-CD1 3.74Å; L90-Y95 HydrophobicContact CB-CE1 3.79Å; L90-Y95 HydrophobicContact CB-CG 4.49Å; L90-Y95 HydrophobicContact CD1-CD1 4.34Å; L90-Y95 HydrophobicContact CD1-CE1 4.49Å; L90-Y95 PolarHBondContact O-N 3.37Å; K91-Y95 HydrophobicContact CB-CE2 4.43Å; K93-Y95 PolarHBondContact O-N 3.26Å; Y95-F169 WeakPolarHBondContact O-CE1 3.36Å; Y95-F169 WeakPolarHBondContact O-CZ 3.47Å; Y95-F173 HydrophobicContact CD1-CB 3.99Å; Y95-F173 HydrophobicContact CE1-CB 4.33Å; Y95-F173 HydrophobicContact CE1-CD1 4.27Å; Y95-G175 CarbonylContact O-C 3.33Å; Y95-G175 VanDerWaalsContact O-CA 3.25Å; Y95-G175 WeakPolarHBondContact O-CA 3.49Å; Y95-I176 PolarHBondContact O-N 3.32Å
96E95.3Very high94.9Very high69 Ų6962.7 Ų62.732%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-96.6125.9176-52.6-158.2147.200110.9K93 E94 I176 L178K93-E96 PolarHBondContact O-N 2.77Å; E94-E96 HydrophobicContact CB-CG 4.3Å; E94-E96 PolarHBondContact O-N 3.04Å; E94-E96 VanDerWaalsContact O-N 3.11Å; E96-I176 WeakPolarHBondContact CA-O 3.33Å; E96-I176 HydrophobicContact CG-CB 4.2Å; E96-I176 HydrophobicContact CG-CD1 4.46Å; E96-L178 HydrophobicContact CB-CD1 4.02Å; E96-L178 HydrophobicContact CB-CG 4.36Å
97L95Very high95Very high2 Ų263.5 Ų63.51%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-133.4131.6175-69.6177.8000111.4L90 F102 F108 F110 F169 I176 L177 L178L90-L97 HydrophobicContact CD2-CD1 4.1Å; L97-F102 HydrophobicContact CB-CE2 4.11Å; L97-F102 HydrophobicContact CD1-CZ 4.41Å; L97-F108 HydrophobicContact CD1-CD2 3.74Å; L97-F108 HydrophobicContact CD1-CE2 3.96Å; L97-F110 HydrophobicContact CD1-CD1 4.36Å; L97-F110 HydrophobicContact CD2-CB 3.8Å; L97-F110 HydrophobicContact CD2-CD1 4Å; L97-F110 HydrophobicContact CD2-CG 4.08Å; L97-F169 HydrophobicContact CB-CE1 4.13Å; L97-F169 HydrophobicContact CB-CZ 4.37Å; L97-F169 HydrophobicContact CD1-CD2 4.37Å; L97-F169 HydrophobicContact CD1-CE1 3.96Å; L97-F169 HydrophobicContact CD1-CE2 3.77Å; L97-F169 HydrophobicContact CD1-CZ 3.53Å; L97-F169 HydrophobicContact CG-CE1 4.12Å; L97-F169 HydrophobicContact CG-CZ 3.85Å; L97-I176 PolarHBondContact N-O 3.24Å; L97-L177 WeakPolarHBondContact O-CA 3.47Å; L97-L178 PolarHBondContact O-N 3.49Å
98P95.4Very high95.1Very high35 Ų3558.7 Ų58.723%0.22729%0.292CS..EExtended strand (participates in β ladder)trans-57.4142.4167.2-24.534.1000112.3S100 C101P98-S100 WeakPolarHBondContact CB-OG 3.38Å; P98-S100 PolarHBondContact O-N 3.32Å; P98-S100 VanDerWaalsContact O-N 3.08Å; P98-C101 VanDerWaalsContact O-CB 3.31Å; P98-C101 WeakPolarHBondContact O-CB 3.14Å; P98-C101 PolarHBondContact O-N 3.38Å
99K95.2Very high95.2Very high80 Ų8054.2 Ų54.235%0.34828%0.278SS..G310 helixtrans-58.9-22.2173.3-75.8-177.9-176.7172.20113.1C101 K162 M166 L177 L178 N179K99-C101 VanDerWaalsContact C-N 3.34Å; K99-K162 WeakPolarHBondContact O-CE 3.46Å; K99-K162 PolarHBondContact O-NZ 3.34Å; K99-M166 HydrophobicContact CB-CE 3.78Å; K99-M166 HydrophobicContact CD-CE 4.43Å; K99-M166 HydrophobicContact CD-SD 4.4Å; K99-M166 HydrophobicContact CG-CE 3.84Å; K99-M166 HydrophobicContact CG-SD 4.05Å; K99-L177 HydrophobicContact CG-CB 4.16Å; K99-L178 WeakPolarHBondContact CG-O 3.38Å; K99-L178 PolarHBondContact N-O 2.87Å; K99-N179 VanDerWaalsContact CD-OD1 3.32Å; K99-N179 WeakPolarHBondContact CD-OD1 3.35Å; K99-N179 WeakPolarHBondContact CE-OD1 3.45Å; K99-N179 PolarHBondContact NZ-OD1 2.99Å
100S94.7Very high95.2Very high86 Ų8655 Ų5560%0.60128%0.281SS*.G310 helixtrans-69-28.5175.253.30000113.1P98 F102P98-S100 WeakPolarHBondContact CB-OG 3.38Å; P98-S100 PolarHBondContact O-N 3.32Å; P98-S100 VanDerWaalsContact O-N 3.08Å; S100-F102 PolarHBondContact O-N 3.43Å
101C95.4Very high95.2Very high40 Ų4056.5 Ų56.527%0.2730%0.297SS..G310 helixtrans-65.4-19.4177.1-69.60000113.5P98 K99 F108 G109P98-C101 VanDerWaalsContact O-CB 3.31Å; P98-C101 WeakPolarHBondContact O-CB 3.14Å; P98-C101 PolarHBondContact O-N 3.38Å; K99-C101 VanDerWaalsContact C-N 3.34Å; C101-F108 WeakPolarHBondContact O-CA 3.34Å; C101-G109 WeakPolarHBondContact CB-O 3.41Å; C101-G109 PolarHBondContact O-N 3.17Å
102F96.3Very high95.2Very high3 Ų349.6 Ų49.61%0.01327%0.267CS..BIsolated β-bridgetrans-86.5124.7178.4-67.1-97.3000111.3L97 S100 N107 F108 K162 A165 M166 F169 L177L97-F102 HydrophobicContact CB-CE2 4.11Å; L97-F102 HydrophobicContact CD1-CZ 4.41Å; S100-F102 PolarHBondContact O-N 3.43Å; F102-N107 CarbonylContact C-O 3.59Å; F102-N107 WeakPolarHBondContact CA-O 3.47Å; F102-F108 HydrophobicContact CD1-CB 3.69Å; F102-F108 HydrophobicContact CD1-CD1 4.32Å; F102-F108 HydrophobicContact CD1-CG 4.26Å; F102-F108 HydrophobicContact CE1-CB 3.85Å; F102-F108 AromaticContact CE1-CD1 3.91Å; F102-F108 HydrophobicContact CE1-CD1 3.91Å; F102-F108 AromaticContact CE1-CG 3.94Å; F102-F108 HydrophobicContact CE1-CG 3.94Å; F102-F108 HydrophobicContact CG-CB 4.08Å; F102-F108 HydrophobicContact CZ-CB 4.36Å; F102-F108 HydrophobicContact CZ-CG 4.41Å; F102-K162 HydrophobicContact CB-CD 4.37Å; F102-K162 HydrophobicContact CB-CG 3.91Å; F102-K162 WeakPolarHBondContact O-CD 3.37Å; F102-K162 VanDerWaalsContact O-CE 3.25Å; F102-K162 WeakPolarHBondContact O-CE 3.33Å; F102-K162 PolarHBondContact O-NZ 3.41Å; F102-A165 HydrophobicContact CD1-CB 4.07Å; F102-A165 HydrophobicContact CE1-CB 4.45Å; F102-M166 HydrophobicContact CB-CE 4Å; F102-M166 HydrophobicContact CB-CG 4.42Å; F102-M166 HydrophobicContact CD1-CG 3.95Å; F102-M166 HydrophobicContact CD2-CE 4.23Å; F102-M166 HydrophobicContact CD2-CG 4.03Å; F102-M166 HydrophobicContact CE1-CG 4.21Å; F102-M166 HydrophobicContact CE2-CG 4.28Å; F102-M166 HydrophobicContact CG-CE 4.22Å; F102-M166 HydrophobicContact CG-CG 3.87Å; F102-M166 HydrophobicContact CZ-CG 4.37Å; F102-F169 HydrophobicContact CE1-CB 4.09Å; F102-F169 HydrophobicContact CZ-CB 3.91Å; F102-F169 AromaticContact CZ-CD1 3.93Å; F102-F169 HydrophobicContact CZ-CD1 3.93Å; F102-F169 AromaticContact CZ-CG 3.93Å; F102-F169 HydrophobicContact CZ-CG 3.93Å; F102-L177 HydrophobicContact CD2-CD2 4.33Å; F102-L177 HydrophobicContact CE2-CD2 3.43Å; F102-L177 VanDerWaalsContact CE2-CD2 3.43Å; F102-L177 HydrophobicContact CZ-CD2 3.76Å
103S95.5Very high95.2Very high29 Ų2952.8 Ų52.820%0.20329%0.287CS..  trans-74.7158.6178.185.70000111.7T105 G106 N107 K162S103-T105 PolarHBondContact O-N 2.94Å; S103-T105 PolarHBondContact OG-N 3.31Å; S103-T105 VanDerWaalsContact OG-N 3.14Å; S103-T105 PolarHBondContact OG-OG1 2.85Å; S103-G106 PolarHBondContact O-N 2.99Å; S103-G106 VanDerWaalsContact O-N 3.17Å; S103-G106 PolarHBondContact OG-N 3.1Å; S103-N107 PolarHBondContact N-O 3.11Å; S103-N107 PolarHBondContact OG-N 3.19Å; S103-N107 PolarHBondContact OG-O 3.49Å; S103-K162 WeakPolarHBondContact O-CB 3.38Å
104K94.1Very high95.2Very high188 Ų18852.7 Ų52.782%0.81729%0.288SS*.THydrogen-bonded Turntrans-60.1-24.3170.8-65-177.5-179.5179.70112.7G106K104-G106 VanDerWaalsContact C-N 3.3Å
105T93.6Very high95.1Very high93 Ų9346.2 Ų46.257%0.57126%0.257SS*.THydrogen-bonded Turntrans-88.29.8-179.650.90000113.8S103 N107 V160S103-T105 PolarHBondContact O-N 2.94Å; S103-T105 PolarHBondContact OG-N 3.31Å; S103-T105 VanDerWaalsContact OG-N 3.14Å; S103-T105 PolarHBondContact OG-OG1 2.85Å; T105-N107 VanDerWaalsContact C-N 3.35Å; T105-N107 PolarHBondContact OG1-ND2 2.86Å; T105-N107 VanDerWaalsContact OG1-ND2 3.12Å; T105-V160 CarbonylContact C-O 3.49Å
106G92.9Very high95Very high0 Ų045.3 Ų45.30%026%0.256CS..SBendtrans75.921.117700000114.1S103 K104 L137 A165S103-G106 PolarHBondContact O-N 2.99Å; S103-G106 VanDerWaalsContact O-N 3.17Å; S103-G106 PolarHBondContact OG-N 3.1Å; K104-G106 VanDerWaalsContact C-N 3.3Å; G106-L137 WeakPolarHBondContact O-CB 3.31Å; G106-L137 WeakPolarHBondContact O-CD1 3.25Å; G106-A165 VanDerWaalsContact O-CB 3.28Å; G106-A165 WeakPolarHBondContact O-CB 3.5Å
107N96.8Very high94.9Very high17 Ų1746 Ų469%0.09126%0.262CS..  trans-104.8165.7173.8-57.2-48.9000109.2F102 S103 T105 Y134 V135 I136 L137F102-N107 CarbonylContact C-O 3.59Å; F102-N107 WeakPolarHBondContact CA-O 3.47Å; S103-N107 PolarHBondContact N-O 3.11Å; S103-N107 PolarHBondContact OG-N 3.19Å; S103-N107 PolarHBondContact OG-O 3.49Å; T105-N107 VanDerWaalsContact C-N 3.35Å; T105-N107 PolarHBondContact OG1-ND2 2.86Å; T105-N107 VanDerWaalsContact OG1-ND2 3.12Å; N107-Y134 HydrophobicContact CB-CE1 4.29Å; N107-Y134 HydrophobicContact CB-CE2 4.47Å; N107-Y134 WeakPolarHBondContact CB-OH 3.48Å; N107-V135 WeakPolarHBondContact CB-O 3.38Å; N107-I136 WeakPolarHBondContact OD1-CA 3.17Å; N107-L137 PolarHBondContact OD1-N 3.42Å; N107-L137 VanDerWaalsContact OD1-N 3.1Å
108F97Very high94.8Very high0 Ų046.4 Ų46.40%026%0.264CS..EExtended strand (participates in β ladder)trans-146.4160173.466-85000111L86 L97 C101 F102 F110 V135 L137 W168 F169L86-F108 HydrophobicContact CD2-CZ 4.36Å; L97-F108 HydrophobicContact CD1-CD2 3.74Å; L97-F108 HydrophobicContact CD1-CE2 3.96Å; C101-F108 WeakPolarHBondContact O-CA 3.34Å; F102-F108 HydrophobicContact CD1-CB 3.69Å; F102-F108 HydrophobicContact CD1-CD1 4.32Å; F102-F108 HydrophobicContact CD1-CG 4.26Å; F102-F108 HydrophobicContact CE1-CB 3.85Å; F102-F108 AromaticContact CE1-CD1 3.91Å; F102-F108 HydrophobicContact CE1-CD1 3.91Å; F102-F108 AromaticContact CE1-CG 3.94Å; F102-F108 HydrophobicContact CE1-CG 3.94Å; F102-F108 HydrophobicContact CG-CB 4.08Å; F102-F108 HydrophobicContact CZ-CB 4.36Å; F102-F108 HydrophobicContact CZ-CG 4.41Å; F108-F110 HydrophobicContact CE2-CE1 4.4Å; F108-V135 HydrophobicContact CD1-CB 4.15Å; F108-V135 HydrophobicContact CD1-CG1 4.44Å; F108-V135 HydrophobicContact CD2-CB 4.36Å; F108-V135 HydrophobicContact CD2-CG2 4.26Å; F108-V135 HydrophobicContact CE1-CB 3.79Å; F108-V135 HydrophobicContact CE1-CG1 3.74Å; F108-V135 HydrophobicContact CE1-CG2 4.26Å; F108-V135 HydrophobicContact CE2-CB 4.04Å; F108-V135 HydrophobicContact CE2-CG2 3.68Å; F108-V135 HydrophobicContact CG-CB 4.42Å; F108-V135 HydrophobicContact CZ-CB 3.75Å; F108-V135 HydrophobicContact CZ-CG1 3.84Å; F108-V135 HydrophobicContact CZ-CG2 3.68Å; F108-V135 PolarHBondContact N-O 2.75Å; F108-V135 PolarHBondContact O-N 3.31Å; F108-L137 HydrophobicContact CD1-CD1 4.25Å; F108-L137 HydrophobicContact CE1-CD1 4.09Å; F108-L137 HydrophobicContact CE1-CD2 4.3Å; F108-L137 HydrophobicContact CE1-CG 4.27Å; F108-W168 HydrophobicContact CE1-CE3 4.38Å; F108-W168 AromaticContact CE1-CZ3 3.85Å; F108-W168 HydrophobicContact CE1-CZ3 3.85Å; F108-W168 HydrophobicContact CZ-CZ3 4.13Å; F108-F169 HydrophobicContact CE2-CD2 4.46Å; F108-F169 HydrophobicContact CZ-CD2 4.24Å
109G96.7Very high94.4Very high17 Ų1748.1 Ų48.118%0.17529%0.288CS..EExtended strand (participates in β ladder)trans-154.4158.7175.800000111.8C101 F133C101-G109 WeakPolarHBondContact CB-O 3.41Å; C101-G109 PolarHBondContact O-N 3.17Å; G109-F133 CarbonylContact C-O 3.54Å; G109-F133 WeakPolarHBondContact CA-O 3.5Å
110F96.4Very high94.1Very high15 Ų1546 Ų467%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-148.4153.7178.457.8-90.3000109.7L86 L90 K93 L97 F108 L112 F133L86-F110 HydrophobicContact CD1-CE1 3.88Å; L86-F110 HydrophobicContact CD1-CZ 4.06Å; L90-F110 HydrophobicContact CD2-CD1 4.31Å; L90-F110 HydrophobicContact CD2-CE1 3.59Å; L90-F110 HydrophobicContact CD2-CZ 3.94Å; L90-F110 HydrophobicContact CG-CE1 4.23Å; L90-F110 HydrophobicContact CG-CZ 4.22Å; K93-F110 HydrophobicContact CG-CD2 4Å; K93-F110 HydrophobicContact CG-CE2 4.4Å; L97-F110 HydrophobicContact CD1-CD1 4.36Å; L97-F110 HydrophobicContact CD2-CB 3.8Å; L97-F110 HydrophobicContact CD2-CD1 4Å; L97-F110 HydrophobicContact CD2-CG 4.08Å; F108-F110 HydrophobicContact CE2-CE1 4.4Å; F110-L112 HydrophobicContact CD2-CD2 4.01Å; F110-L112 HydrophobicContact CD2-CG 4.44Å; F110-L112 HydrophobicContact CE2-CD2 4.01Å; F110-L112 HydrophobicContact CE2-CG 4.3Å; F110-F133 HydrophobicContact CD1-CB 4.25Å; F110-F133 HydrophobicContact CD2-CB 4.21Å; F110-F133 HydrophobicContact CD2-CD2 4.42Å; F110-F133 HydrophobicContact CD2-CG 4.46Å; F110-F133 HydrophobicContact CE1-CB 3.95Å; F110-F133 HydrophobicContact CE1-CG 4.44Å; F110-F133 HydrophobicContact CE2-CB 3.92Å; F110-F133 HydrophobicContact CE2-CD1 4.33Å; F110-F133 AromaticContact CE2-CD2 3.87Å; F110-F133 HydrophobicContact CE2-CD2 3.87Å; F110-F133 HydrophobicContact CE2-CE2 4.48Å; F110-F133 AromaticContact CE2-CG 3.8Å; F110-F133 HydrophobicContact CE2-CG 3.8Å; F110-F133 HydrophobicContact CG-CB 4.37Å; F110-F133 HydrophobicContact CZ-CB 3.79Å; F110-F133 AromaticContact CZ-CD1 3.97Å; F110-F133 HydrophobicContact CZ-CD1 3.97Å; F110-F133 HydrophobicContact CZ-CD2 4.32Å; F110-F133 AromaticContact CZ-CG 3.79Å; F110-F133 HydrophobicContact CZ-CG 3.79Å; F110-F133 PolarHBondContact N-O 3.3Å; F110-F133 PolarHBondContact O-N 3.19Å
111G95.7Very high94Very high33 Ų3351.1 Ų51.134%0.3429%0.292SS..EExtended strand (participates in β ladder)trans-102.9139.6175.200000111K93K93-G111 WeakPolarHBondContact CE-O 3.43Å; K93-G111 PolarHBondContact NZ-O 2.84Å
112L95.1Very high93.8Very high7 Ų754.8 Ų54.84%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-103.4138163.6-57.3-172.1000108.6V92 K93 F110 L118 G130 L131 F133V92-L112 HydrophobicContact CB-CD1 4.37Å; V92-L112 HydrophobicContact CB-CD2 4.01Å; V92-L112 HydrophobicContact CG1-CD1 4.44Å; V92-L112 HydrophobicContact CG1-CD2 3.79Å; V92-L112 HydrophobicContact CG2-CD1 4.35Å; K93-L112 HydrophobicContact CD-CD2 4.35Å; K93-L112 HydrophobicContact CG-CD2 3.98Å; F110-L112 HydrophobicContact CD2-CD2 4.01Å; F110-L112 HydrophobicContact CD2-CG 4.44Å; F110-L112 HydrophobicContact CE2-CD2 4.01Å; F110-L112 HydrophobicContact CE2-CG 4.3Å; L112-L118 HydrophobicContact CD1-CD1 4.14Å; L112-L118 HydrophobicContact CD1-CD2 3.62Å; L112-L118 HydrophobicContact CD1-CG 3.88Å; L112-G130 CarbonylContact O-C 3.53Å; L112-G130 WeakPolarHBondContact O-CA 3.28Å; L112-L131 PolarHBondContact N-O 2.66Å; L112-L131 PolarHBondContact O-N 3.45Å; L112-F133 HydrophobicContact CD1-CD2 4.31Å; L112-F133 HydrophobicContact CD1-CE2 3.59Å; L112-F133 HydrophobicContact CD1-CZ 4.23Å; L112-F133 HydrophobicContact CG-CD2 4.25Å; L112-F133 HydrophobicContact CG-CE2 3.98Å
113T94.3Very high93.6Very high109 Ų10958 Ų5867%0.66932%0.318SS*.SBendtrans-76.6-31.9176.741.70000111.7Y129 G130T113-Y129 CarbonylContact O-C 3.45Å; T113-G130 WeakPolarHBondContact O-CA 3.3Å; T113-G130 PolarHBondContact O-N 3.14Å
114E94.4Very high93.4Very high77 Ų7761.2 Ų61.236%0.3634%0.338SS..  trans-133.8135.6-176.5-51.2-169.2-176.400109.9I116 I128 Y129E114-I116 VanDerWaalsContact C-N 3.32Å; E114-I128 HydrophobicContact CB-CG2 3.84Å; E114-I128 HydrophobicContact CG-CG2 3.7Å; E114-Y129 CarbonylContact C-O 3.43Å; E114-Y129 WeakPolarHBondContact CA-O 3.41Å
115H93Very high93.3Very high9 Ų955 Ų554%0.04232%0.322CS..SBendtrans-82.1-12.3175.465-89.3000113V42 D117 L118 G127 Y129V42-H115 HydrophobicContact CG1-CB 3.99Å; H115-D117 VanDerWaalsContact C-N 3.25Å; H115-D117 PolarHBondContact O-N 2.89Å; H115-L118 WeakPolarHBondContact O-CB 3.36Å; H115-L118 PolarHBondContact O-N 3.48Å; H115-G127 PolarHBondContact CE1-O 2.86Å; H115-G127 VanDerWaalsContact CE1-O 3.22Å; H115-Y129 AromaticContact CE1-CD2 3.87Å; H115-Y129 PolarHBondContact CE1-N 3.5Å; H115-Y129 PolarHBondContact N-O 3.28Å; H115-Y129 PolarHBondContact ND1-N 2.91Å; H115-Y129 VanDerWaalsContact ND1-N 3.16Å; H115-Y129 PolarHBondContact ND1-O 2.82Å; H115-Y129 VanDerWaalsContact ND1-O 3.15Å
116I93.3Very high93.3Very high43 Ų4351.2 Ų51.222%0.22130%0.298CS..G310 helixtrans-65-35.6179.9-58.5173.1000110E114 L118 G119 L120 Y122 I128E114-I116 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 2.82Å; I116-G119 PolarHBondContact O-N 3.14Å; I116-L120 PolarHBondContact O-N 3.28Å; I116-Y122 HydrophobicContact CD1-CD2 3.6Å; I116-Y122 HydrophobicContact CD1-CE2 4.37Å; I116-Y122 HydrophobicContact CD1-CG 4.32Å; I116-I128 HydrophobicContact CD1-CD1 4.11Å; I116-I128 HydrophobicContact CD1-CG1 3.96Å
117D93Very high93.2Very high84 Ų8452.2 Ų52.245%0.44931%0.308SS..G310 helixtrans-57.9-18.6177.2-61.2-24.8000113.4V92 H115 G119V92-D117 HydrophobicContact CB-CB 4.29Å; V92-D117 HydrophobicContact CG1-CB 3.62Å; V92-D117 HydrophobicContact CG2-CB 3.6Å; V92-D117 WeakPolarHBondContact CG2-O 3.33Å; H115-D117 VanDerWaalsContact C-N 3.25Å; H115-D117 PolarHBondContact O-N 2.89Å; D117-G119 PolarHBondContact O-N 3.33Å
118L91.4Very high93.1Very high10 Ų1055.1 Ų55.15%0.05232%0.323CS..G310 helixtrans-77.20.6174.4-62.6169.7000113.7L46 K88 V92 L112 H115 I116 L131 F133L46-L118 HydrophobicContact CD1-CB 4.2Å; L46-L118 HydrophobicContact CD1-CD1 3.99Å; L46-L118 HydrophobicContact CD2-CD1 3.73Å; K88-L118 HydrophobicContact CB-CD2 4.17Å; V92-L118 HydrophobicContact CG2-CD2 4.31Å; L112-L118 HydrophobicContact CD1-CD1 4.14Å; L112-L118 HydrophobicContact CD1-CD2 3.62Å; L112-L118 HydrophobicContact CD1-CG 3.88Å; H115-L118 WeakPolarHBondContact O-CB 3.36Å; H115-L118 PolarHBondContact O-N 3.48Å; I116-L118 PolarHBondContact O-N 2.82Å; L118-L131 HydrophobicContact CD1-CD2 3.66Å; L118-F133 HydrophobicContact CD1-CE2 4.26Å; L118-F133 HydrophobicContact CD1-CZ 3.97Å; L118-F133 HydrophobicContact CD2-CE2 4.49Å; L118-F133 HydrophobicContact CD2-CZ 3.93Å
119G87.8Confident93Very high70 Ų7055.8 Ų55.872%0.72233%0.326SS*.THydrogen-bonded Turntrans90.518.7179.800000114.4I116 D117I116-G119 PolarHBondContact O-N 3.14Å; D117-G119 PolarHBondContact O-N 3.33Å
120L89.1Confident93Very high35 Ų3556.6 Ų56.618%0.18333%0.334CS..PPolyproline II helixtrans-83.2137.9173.1-68.9172000110.1V42 Q45 L46 I116V42-L120 HydrophobicContact CG1-CD1 4.3Å; Q45-L120 HydrophobicContact CB-CD2 4.38Å; L46-L120 HydrophobicContact CB-CD1 4.3Å; L46-L120 HydrophobicContact CD1-CD1 4.41Å; I116-L120 PolarHBondContact O-N 3.28Å
121K91.4Very high92.9Very high195 Ų19556 Ų5685%0.84833%0.331SS*.PPolyproline II helixtrans-66.7135.6174.3-176.9177177.9-179.30109.6D123K121-D123 PolarHBondContact O-N 3.49Å
122Y92.8Very high93Very high116 Ų11657.7 Ų57.746%0.45533%0.333SS..PPolyproline II helixtrans-63127.2174.2179.2-116.1000111.5I116 P124 I128I116-Y122 HydrophobicContact CD1-CD2 3.6Å; I116-Y122 HydrophobicContact CD1-CE2 4.37Å; I116-Y122 HydrophobicContact CD1-CG 4.32Å; Y122-P124 HydrophobicContact CD1-CG 4.29Å; Y122-P124 HydrophobicContact CE1-CB 4.29Å; Y122-P124 HydrophobicContact CE1-CG 3.82Å; Y122-I128 HydrophobicContact CE2-CG1 4.09Å
123D91.9Very high93.1Very high70 Ų7057.5 Ų57.537%0.37433%0.332SS..  trans-116.4113.5170.3-174.7-13.9000109.2K121 A125 I126 G127K121-D123 PolarHBondContact O-N 3.49Å; D123-A125 PolarHBondContact O-N 2.96Å; D123-A125 VanDerWaalsContact O-N 3.15Å; D123-A125 VanDerWaalsContact OD1-CB 3.31Å; D123-A125 WeakPolarHBondContact OD1-CB 3.46Å; D123-A125 PolarHBondContact OD1-N 3.21Å; D123-I126 HydrophobicContact CB-CB 4.26Å; D123-I126 HydrophobicContact CB-CD1 4.07Å; D123-I126 HydrophobicContact CB-CG1 4.12Å; D123-I126 PolarHBondContact O-N 3.32Å; D123-G127 PolarHBondContact O-N 3.25Å; D123-G127 VanDerWaalsContact O-N 3.14Å
124P91.8Very high93.3Very high97 Ų9756.5 Ų56.563%0.6332%0.316SS*.THydrogen-bonded Turntrans-56.1-28177.1-24.132.7000113.8Y122 I126Y122-P124 HydrophobicContact CD1-CG 4.29Å; Y122-P124 HydrophobicContact CE1-CB 4.29Å; Y122-P124 HydrophobicContact CE1-CG 3.82Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 PolarHBondContact O-N 3.29Å
125A91.9Very high93.4Very high59 Ų5952.9 Ų52.949%0.48830%0.299SS..THydrogen-bonded Turntrans-71.1-28.1178.700000112.3R38 D123R38-A125 WeakPolarHBondContact CD-O 3.14Å; R38-A125 PolarHBondContact NE-O 3.49Å; R38-A125 PolarHBondContact NH1-O 2.79Å; D123-A125 PolarHBondContact O-N 2.96Å; D123-A125 VanDerWaalsContact O-N 3.15Å; D123-A125 VanDerWaalsContact OD1-CB 3.31Å; D123-A125 WeakPolarHBondContact OD1-CB 3.46Å; D123-A125 PolarHBondContact OD1-N 3.21Å
126I92Very high93.6Very high13 Ų1353.8 Ų53.87%0.06730%0.304CS..THydrogen-bonded Turntrans-87.9-47.8-178.5-66.3-179.9000110.6R38 V42 D123 P124 Y129R38-I126 HydrophobicContact CB-CG2 4.43Å; V42-I126 HydrophobicContact CG2-CG2 3.25Å; D123-I126 HydrophobicContact CB-CB 4.26Å; D123-I126 HydrophobicContact CB-CD1 4.07Å; D123-I126 HydrophobicContact CB-CG1 4.12Å; D123-I126 PolarHBondContact O-N 3.32Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 PolarHBondContact O-N 3.29Å; I126-Y129 HydrophobicContact CG2-CD2 4.23Å; I126-Y129 HydrophobicContact CG2-CE2 3.77Å; I126-Y129 VanDerWaalsContact O-CE2 3.27Å; I126-Y129 WeakPolarHBondContact O-CE2 3.22Å; I126-Y129 PolarHBondContact O-OH 2.88Å
127G92Very high93.8Very high20 Ų2052.1 Ų52.121%0.20630%0.296CS..  trans85.2-168.3-173.300000113.1H115 D123H115-G127 PolarHBondContact CE1-O 2.86Å; H115-G127 VanDerWaalsContact CE1-O 3.22Å; D123-G127 PolarHBondContact O-N 3.25Å; D123-G127 VanDerWaalsContact O-N 3.14Å
128I94.7Very high93.9Very high79 Ų7948.2 Ų48.241%0.40528%0.275SS..  trans-105.7137.1-175.5-49.9-177.4000109.8E114 I116 Y122E114-I128 HydrophobicContact CB-CG2 3.84Å; E114-I128 HydrophobicContact CG-CG2 3.7Å; I116-I128 HydrophobicContact CD1-CD1 4.11Å; I116-I128 HydrophobicContact CD1-CG1 3.96Å; Y122-I128 HydrophobicContact CE2-CG1 4.09Å
129Y95.5Very high94Very high14 Ų1448.6 Ų48.66%0.05528%0.276CS..  trans-135138.6179.9-66-83.1000110.5I27 V29 R35 R38 A39 V42 T113 E114 H115 I126I27-Y129 HydrophobicContact CG2-CD1 4.21Å; V29-Y129 HydrophobicContact CG2-CD1 4.45Å; V29-Y129 HydrophobicContact CG2-CE1 4.21Å; R35-Y129 HydrophobicContact CG-CE1 3.76Å; R35-Y129 VanDerWaalsContact CG-OH 3.23Å; R35-Y129 WeakPolarHBondContact CG-OH 3.27Å; R35-Y129 PolarHBondContact O-OH 3.42Å; R38-Y129 HydrophobicContact CB-CE2 4.41Å; R38-Y129 WeakPolarHBondContact CB-OH 3.37Å; A39-Y129 HydrophobicContact CB-CD1 4.02Å; A39-Y129 HydrophobicContact CB-CE1 3.79Å; A39-Y129 HydrophobicContact CB-CE2 4.4Å; A39-Y129 HydrophobicContact CB-CG 4.4Å; V42-Y129 HydrophobicContact CG2-CD2 4.02Å; V42-Y129 HydrophobicContact CG2-CE2 4.38Å; T113-Y129 CarbonylContact O-C 3.45Å; E114-Y129 CarbonylContact C-O 3.43Å; E114-Y129 WeakPolarHBondContact CA-O 3.41Å; H115-Y129 AromaticContact CE1-CD2 3.87Å; H115-Y129 PolarHBondContact CE1-N 3.5Å; H115-Y129 PolarHBondContact N-O 3.28Å; H115-Y129 PolarHBondContact ND1-N 2.91Å; H115-Y129 VanDerWaalsContact ND1-N 3.16Å; H115-Y129 PolarHBondContact ND1-O 2.82Å; H115-Y129 VanDerWaalsContact ND1-O 3.15Å; I126-Y129 HydrophobicContact CG2-CD2 4.23Å; I126-Y129 HydrophobicContact CG2-CE2 3.77Å; I126-Y129 VanDerWaalsContact O-CE2 3.27Å; I126-Y129 WeakPolarHBondContact O-CE2 3.22Å; I126-Y129 PolarHBondContact O-OH 2.88Å
130G95.2Very high94.3Very high34 Ų3446.6 Ų46.635%0.35125%0.25SS..  trans-74.6150.7163.300000111.3L112 T113L112-G130 CarbonylContact O-C 3.53Å; L112-G130 WeakPolarHBondContact O-CA 3.28Å; T113-G130 WeakPolarHBondContact O-CA 3.3Å; T113-G130 PolarHBondContact O-N 3.14Å
131L95Very high94.5Very high1 Ų146.8 Ų46.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-136.1132.1-175.5-179.865.2000110L25 I27 L43 L46 L112 L118 F133L25-L131 HydrophobicContact CB-CD1 4.23Å; L25-L131 HydrophobicContact CD2-CD2 4.33Å; I27-L131 HydrophobicContact CD1-CD1 4.05Å; I27-L131 HydrophobicContact CG1-CD1 3.49Å; I27-L131 VanDerWaalsContact CG1-CD1 3.49Å; L43-L131 HydrophobicContact CD2-CD1 3.67Å; L46-L131 HydrophobicContact CD2-CD2 3.61Å; L112-L131 PolarHBondContact N-O 2.66Å; L112-L131 PolarHBondContact O-N 3.45Å; L118-L131 HydrophobicContact CD1-CD2 3.66Å; L131-F133 HydrophobicContact CB-CE2 4.42Å; L131-F133 HydrophobicContact CD2-CD2 4.27Å; L131-F133 HydrophobicContact CD2-CE2 3.39Å; L131-F133 HydrophobicContact CD2-CZ 3.79Å; L131-F133 HydrophobicContact CG-CD2 4.16Å; L131-F133 HydrophobicContact CG-CE2 3.73Å
132N97.2Very high94.6Very high69 Ų6938.5 Ų38.537%0.36923%0.225SC..EExtended strand (participates in β ladder)trans-98.9133.9174-62.4-44.9000110.4L25 D26L25-N132 WeakPolarHBondContact CA-O 3.39Å; D26-N132 PolarHBondContact N-O 2.82Å; D26-N132 VanDerWaalsContact N-O 3.14Å; D26-N132 PolarHBondContact O-N 2.93Å; D26-N132 VanDerWaalsContact OD1-CB 3.3Å; D26-N132 WeakPolarHBondContact OD1-CB 3.43Å; D26-N132 PolarHBondContact OD2-ND2 3.14Å
133F97.3Very high94.7Very high3 Ų342.6 Ų42.61%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-105.9127.5171.5-75-112.9000108.8L23 L25 I85 G109 F110 L112 L118 L131L23-F133 HydrophobicContact CD1-CB 4.48Å; L23-F133 HydrophobicContact CD1-CD1 3.93Å; L23-F133 HydrophobicContact CD2-CD1 4.15Å; L23-F133 HydrophobicContact CD2-CE1 4.25Å; L25-F133 HydrophobicContact CD2-CB 4.46Å; L25-F133 HydrophobicContact CD2-CD1 3.43Å; L25-F133 VanDerWaalsContact CD2-CD1 3.43Å; L25-F133 HydrophobicContact CD2-CD2 3.99Å; L25-F133 HydrophobicContact CD2-CE1 3.49Å; L25-F133 VanDerWaalsContact CD2-CE1 3.49Å; L25-F133 HydrophobicContact CD2-CE2 4.03Å; L25-F133 HydrophobicContact CD2-CG 3.68Å; L25-F133 HydrophobicContact CD2-CZ 3.78Å; I85-F133 HydrophobicContact CG2-CE1 3.83Å; I85-F133 HydrophobicContact CG2-CZ 4.31Å; G109-F133 CarbonylContact C-O 3.54Å; G109-F133 WeakPolarHBondContact CA-O 3.5Å; F110-F133 HydrophobicContact CD1-CB 4.25Å; F110-F133 HydrophobicContact CD2-CB 4.21Å; F110-F133 HydrophobicContact CD2-CD2 4.42Å; F110-F133 HydrophobicContact CD2-CG 4.46Å; F110-F133 HydrophobicContact CE1-CB 3.95Å; F110-F133 HydrophobicContact CE1-CG 4.44Å; F110-F133 HydrophobicContact CE2-CB 3.92Å; F110-F133 HydrophobicContact CE2-CD1 4.33Å; F110-F133 AromaticContact CE2-CD2 3.87Å; F110-F133 HydrophobicContact CE2-CD2 3.87Å; F110-F133 HydrophobicContact CE2-CE2 4.48Å; F110-F133 AromaticContact CE2-CG 3.8Å; F110-F133 HydrophobicContact CE2-CG 3.8Å; F110-F133 HydrophobicContact CG-CB 4.37Å; F110-F133 HydrophobicContact CZ-CB 3.79Å; F110-F133 AromaticContact CZ-CD1 3.97Å; F110-F133 HydrophobicContact CZ-CD1 3.97Å; F110-F133 HydrophobicContact CZ-CD2 4.32Å; F110-F133 AromaticContact CZ-CG 3.79Å; F110-F133 HydrophobicContact CZ-CG 3.79Å; F110-F133 PolarHBondContact N-O 3.3Å; F110-F133 PolarHBondContact O-N 3.19Å; L112-F133 HydrophobicContact CD1-CD2 4.31Å; L112-F133 HydrophobicContact CD1-CE2 3.59Å; L112-F133 HydrophobicContact CD1-CZ 4.23Å; L112-F133 HydrophobicContact CG-CD2 4.25Å; L112-F133 HydrophobicContact CG-CE2 3.98Å; L118-F133 HydrophobicContact CD1-CE2 4.26Å; L118-F133 HydrophobicContact CD1-CZ 3.97Å; L118-F133 HydrophobicContact CD2-CE2 4.49Å; L118-F133 HydrophobicContact CD2-CZ 3.93Å; L131-F133 HydrophobicContact CB-CE2 4.42Å; L131-F133 HydrophobicContact CD2-CD2 4.27Å; L131-F133 HydrophobicContact CD2-CE2 3.39Å; L131-F133 HydrophobicContact CD2-CZ 3.79Å; L131-F133 HydrophobicContact CG-CD2 4.16Å; L131-F133 HydrophobicContact CG-CE2 3.73Å
134Y98Very high94.9Very high89 Ų8941.1 Ų41.135%0.34923%0.233SC..EExtended strand (participates in β ladder)trans-128.4111.9170.2-167.9-101.4000110.3C24 N107 I136C24-Y134 PolarHBondContact N-O 3.12Å; C24-Y134 PolarHBondContact O-N 3.04Å; N107-Y134 HydrophobicContact CB-CE1 4.29Å; N107-Y134 HydrophobicContact CB-CE2 4.47Å; N107-Y134 WeakPolarHBondContact CB-OH 3.48Å; Y134-I136 HydrophobicContact CD1-CD1 3.96Å; Y134-I136 HydrophobicContact CD1-CG1 3.82Å; Y134-I136 HydrophobicContact CE1-CD1 3.85Å; Y134-I136 HydrophobicContact CE1-CG1 3.54Å
135V97.6Very high95Very high0 Ų042.9 Ų42.90%023%0.228CC..EExtended strand (participates in β ladder)trans-95.7125.7-177.8-175.40000108.9I20 L23 L86 N107 F108 L137I20-V135 HydrophobicContact CG2-CG1 4.16Å; L23-V135 HydrophobicContact CD1-CG2 3.69Å; L86-V135 HydrophobicContact CD1-CG2 3.47Å; L86-V135 VanDerWaalsContact CD1-CG2 3.47Å; L86-V135 HydrophobicContact CD2-CG1 4.21Å; L86-V135 HydrophobicContact CD2-CG2 3.87Å; L86-V135 HydrophobicContact CG-CG2 4.31Å; N107-V135 WeakPolarHBondContact CB-O 3.38Å; F108-V135 HydrophobicContact CD1-CB 4.15Å; F108-V135 HydrophobicContact CD1-CG1 4.44Å; F108-V135 HydrophobicContact CD2-CB 4.36Å; F108-V135 HydrophobicContact CD2-CG2 4.26Å; F108-V135 HydrophobicContact CE1-CB 3.79Å; F108-V135 HydrophobicContact CE1-CG1 3.74Å; F108-V135 HydrophobicContact CE1-CG2 4.26Å; F108-V135 HydrophobicContact CE2-CB 4.04Å; F108-V135 HydrophobicContact CE2-CG2 3.68Å; F108-V135 HydrophobicContact CG-CB 4.42Å; F108-V135 HydrophobicContact CZ-CB 3.75Å; F108-V135 HydrophobicContact CZ-CG1 3.84Å; F108-V135 HydrophobicContact CZ-CG2 3.68Å; F108-V135 PolarHBondContact N-O 2.75Å; F108-V135 PolarHBondContact O-N 3.31Å; V135-L137 HydrophobicContact CG1-CD2 3.9Å; V135-L137 HydrophobicContact CG1-CG 4.47Å
136I97.6Very high95.2Very high28 Ų2846.8 Ų46.814%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-105.1117.2173.4-70157.6000109.1Q21 K22 N107 Y134Q21-I136 HydrophobicContact CB-CG2 4.17Å; Q21-I136 WeakPolarHBondContact CB-O 3.41Å; Q21-I136 PolarHBondContact N-O 3.27Å; K22-I136 HydrophobicContact CD-CD1 4.13Å; K22-I136 HydrophobicContact CG-CB 4.01Å; K22-I136 HydrophobicContact CG-CD1 3.9Å; K22-I136 PolarHBondContact N-O 3.31Å; K22-I136 PolarHBondContact O-N 3.17Å; N107-I136 WeakPolarHBondContact OD1-CA 3.17Å; Y134-I136 HydrophobicContact CD1-CD1 3.96Å; Y134-I136 HydrophobicContact CD1-CG1 3.82Å; Y134-I136 HydrophobicContact CE1-CD1 3.85Å; Y134-I136 HydrophobicContact CE1-CG1 3.54Å
137L96.5Very high95.3Very high8 Ų850.9 Ų50.94%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-92147.6174.8-58.7-177000109.8I18 K19 I20 G106 N107 F108 V135 A165 W168I18-L137 HydrophobicContact CG2-CB 3.89Å; I18-L137 HydrophobicContact CG2-CD1 4.06Å; I18-L137 HydrophobicContact CG2-CD2 4.36Å; I18-L137 HydrophobicContact CG2-CG 4.33Å; K19-L137 WeakPolarHBondContact O-CA 3.3Å; I20-L137 HydrophobicContact CG1-CD2 4.18Å; G106-L137 WeakPolarHBondContact O-CB 3.31Å; G106-L137 WeakPolarHBondContact O-CD1 3.25Å; N107-L137 PolarHBondContact OD1-N 3.42Å; N107-L137 VanDerWaalsContact OD1-N 3.1Å; F108-L137 HydrophobicContact CD1-CD1 4.25Å; F108-L137 HydrophobicContact CE1-CD1 4.09Å; F108-L137 HydrophobicContact CE1-CD2 4.3Å; F108-L137 HydrophobicContact CE1-CG 4.27Å; V135-L137 HydrophobicContact CG1-CD2 3.9Å; V135-L137 HydrophobicContact CG1-CG 4.47Å; L137-A165 HydrophobicContact CD1-CB 3.79Å; L137-W168 HydrophobicContact CD1-CD2 4.09Å; L137-W168 HydrophobicContact CD1-CE3 3.66Å; L137-W168 HydrophobicContact CD1-CZ3 4.11Å; L137-W168 HydrophobicContact CD2-CD2 4.28Å; L137-W168 HydrophobicContact CD2-CE3 3.92Å; L137-W168 HydrophobicContact CD2-CH2 3.67Å; L137-W168 HydrophobicContact CD2-CZ2 4.03Å; L137-W168 HydrophobicContact CD2-CZ3 3.62Å; L137-W168 HydrophobicContact CG-CE3 4.47Å
138G95Very high95.6Very high2 Ų261.7 Ų61.72%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-159.6159177.900000112.4K19K19-G138 VanDerWaalsContact CG-O 3.24Å; K19-G138 WeakPolarHBondContact CG-O 3.18Å; K19-G138 PolarHBondContact N-O 2.85Å; K19-G138 PolarHBondContact O-N 2.96Å
139R94.4Very high95.6Very high18 Ų1868 Ų687%0.06830%0.298CS..  trans-94.5152.5171.4-70.2179.2171.9135.2-1110.9R16 G141 M142 H158 H159 V160 E164R16-R139 PolarHBondContact O-NE 3.49Å; R139-G141 PolarHBondContact O-N 3.22Å; R139-M142 WeakPolarHBondContact O-CG 2.94Å; R139-M142 PolarHBondContact O-N 3.15Å; R139-H158 WeakPolarHBondContact CD-O 3.23Å; R139-H158 PolarHBondContact NH1-O 2.89Å; R139-H159 PolarHBondContact NH1-O 2.85Å; R139-V160 HydrophobicContact CG-CG2 4.28Å; R139-E164 IonicContact CZ-OE1 3.92Å; R139-E164 IonicContact CZ-OE2 3.64Å; R139-E164 IonicContact NH1-OE1 3.98Å; R139-E164 IonicContact NH1-OE2 2.77Å; R139-E164 IonicContact NH2-OE1 3.37Å; R139-E164 PolarHBondContact NH2-OE1 3Å; R139-E164 IonicContact NH2-OE2 3.78Å; R139-E164 PolarHBondContact NH2-OE2 3.11Å; R139-E164 VanDerWaalsContact NH2-OE2 3.1Å
140P93.3Very high95.6Very high28 Ų2871.5 Ų71.518%0.18232%0.324CS..THydrogen-bonded Turntrans-54.2123.4164.5-22.833.1000110.7M15 E17 H158M15-P140 HydrophobicContact CE-CB 3.7Å; M15-P140 HydrophobicContact SD-CB 3.99Å; E17-P140 VanDerWaalsContact O-CD 3.29Å; E17-P140 WeakPolarHBondContact O-CD 3.44Å; P140-H158 PolarHBondContact O-CE1 3.12Å; P140-H158 PolarHBondContact O-NE2 2.91Å; P140-H158 VanDerWaalsContact O-NE2 3.16Å
141G93.4Very high95.6Very high39 Ų3976.2 Ų76.240%0.40234%0.337SS..THydrogen-bonded Turntrans125.7-15.8-176.700000114.6R139 R143 V144R139-G141 PolarHBondContact O-N 3.22Å; G141-R143 PolarHBondContact O-N 3.23Å; G141-V144 WeakPolarHBondContact O-CG2 3.38Å; G141-V144 PolarHBondContact O-N 3.13Å
142M93.5Very high95.7Very high22 Ų2279 Ų7911%0.10836%0.356CS..G310 helixtrans-59.4-16.4178.1-68-64.3172.700114.6R139 V144 R145 Y146 V154 H158R139-M142 WeakPolarHBondContact O-CG 2.94Å; R139-M142 PolarHBondContact O-N 3.15Å; M142-V144 PolarHBondContact O-N 2.95Å; M142-V144 VanDerWaalsContact O-N 3.15Å; M142-R145 PolarHBondContact O-N 2.68Å; M142-Y146 HydrophobicContact CB-CE2 4.47Å; M142-Y146 VanDerWaalsContact O-CD2 3.31Å; M142-Y146 WeakPolarHBondContact O-CD2 3.38Å; M142-V154 HydrophobicContact CE-CG1 4.22Å; M142-V154 HydrophobicContact SD-CB 4.44Å; M142-V154 HydrophobicContact SD-CG1 3.91Å; M142-V154 HydrophobicContact SD-CG2 3.95Å; M142-H158 VanDerWaalsContact CE-O 3.28Å; M142-H158 WeakPolarHBondContact CE-O 3.23Å
143R94.7Very high95.6Very high201 Ų20187.2 Ų87.276%0.75838%0.382SS*.G310 helixtrans-57-28.6178.4-171.3176.6-178.3-170.51.9113.1G141 R145 Y146 R147G141-R143 PolarHBondContact O-N 3.23Å; R143-R145 PolarHBondContact O-N 3.18Å; R143-R145 VanDerWaalsContact O-N 3.13Å; R143-Y146 PolarHBondContact O-N 2.96Å; R143-R147 HydrophobicContact CG-CB 4.46Å; R143-R147 PolarHBondContact O-N 3.16Å
144V95.4Very high95.4Very high39 Ų3988 Ų8824%0.23639%0.387CS..G310 helixtrans-57.2-29.3-179.5-61.30000113.3G141 M142 S152 V154G141-V144 WeakPolarHBondContact O-CG2 3.38Å; G141-V144 PolarHBondContact O-N 3.13Å; M142-V144 PolarHBondContact O-N 2.95Å; M142-V144 VanDerWaalsContact O-N 3.15Å; V144-S152 PolarHBondContact O-N 3.37Å; V144-S152 VanDerWaalsContact O-N 3.15Å; V144-V154 HydrophobicContact CG2-CG2 3.62Å
145R95.5Very high95.2Very high135 Ų13586 Ų8651%0.50939%0.394SS..G310 helixtrans-76.1-27.3176.2177.9178.6176.6-1731.5113.4M142 R143 Q151 V154M142-R145 PolarHBondContact O-N 2.68Å; R143-R145 PolarHBondContact O-N 3.18Å; R143-R145 VanDerWaalsContact O-N 3.13Å; R145-Q151 WeakPolarHBondContact O-CG 3.43Å; R145-Q151 PolarHBondContact O-NE2 2.89Å; R145-V154 HydrophobicContact CB-CG2 4.09Å
146Y94.8Very high94.8Very high140 Ų14091.7 Ų91.755%0.54942%0.424SS..THydrogen-bonded Turntrans-107.3-18.7-169.6-56.9-67.9000113.6M142 R143M142-Y146 HydrophobicContact CB-CE2 4.47Å; M142-Y146 VanDerWaalsContact O-CD2 3.31Å; M142-Y146 WeakPolarHBondContact O-CD2 3.38Å; R143-Y146 PolarHBondContact O-N 2.96Å
147R95.5Very high94.5Very high100 Ų10096.1 Ų96.138%0.37745%0.448SS..  trans-69.3143.4179.763.4178.6-173.7-172.52111.4R143 R149 C150 Q151R143-R147 HydrophobicContact CG-CB 4.46Å; R143-R147 PolarHBondContact O-N 3.16Å; R147-R149 WeakPolarHBondContact CD-O 3.27Å; R147-R149 VanDerWaalsContact CG-O 3.25Å; R147-R149 WeakPolarHBondContact CG-O 3.4Å; R147-R149 PolarHBondContact NE-O 2.92Å; R147-R149 VanDerWaalsContact NE-O 3.16Å; R147-C150 VanDerWaalsContact CZ-O 3.26Å; R147-C150 PolarHBondContact NE-O 2.9Å; R147-C150 PolarHBondContact NH2-O 3.24Å; R147-Q151 WeakPolarHBondContact O-CB 3.39Å
148R96.4Very high94.3Very high246 Ų24697.6 Ų97.693%0.92846%0.455SS*.SBendtrans-68.5-46.2175.7-175.6178.6179.8-176.50.1112.5
149R95.8Very high94.2Very high212 Ų212100.6 Ų100.680%0.847%0.468SS*.THydrogen-bonded Turntrans-81.5131179.7-176.9-179.9178.8-161.41.2110.5R147 Q151R147-R149 WeakPolarHBondContact CD-O 3.27Å; R147-R149 VanDerWaalsContact CG-O 3.25Å; R147-R149 WeakPolarHBondContact CG-O 3.4Å; R147-R149 PolarHBondContact NE-O 2.92Å; R147-R149 VanDerWaalsContact NE-O 3.16Å; R149-Q151 VanDerWaalsContact C-N 3.31Å; R149-Q151 PolarHBondContact O-N 3.3Å
150C94.6Very high94.1Very high87 Ų87100 Ų10059%0.58847%0.466SS*.THydrogen-bonded Turntrans51.148.7176.5-56.30000112.3R147R147-C150 VanDerWaalsContact CZ-O 3.26Å; R147-C150 PolarHBondContact NE-O 2.9Å; R147-C150 PolarHBondContact NH2-O 3.24Å
151Q96.7Very high94.2Very high133 Ų133102.5 Ų102.562%0.62148%0.476SS*.  trans-64.5134175.4-165.5-178.2-5.200109.6R145 R147 R149R145-Q151 WeakPolarHBondContact O-CG 3.43Å; R145-Q151 PolarHBondContact O-NE2 2.89Å; R147-Q151 WeakPolarHBondContact O-CB 3.39Å; R149-Q151 VanDerWaalsContact C-N 3.31Å; R149-Q151 PolarHBondContact O-N 3.3Å
152S96.4Very high94.2Very high60 Ų60103.8 Ų103.842%0.4247%0.47SS..  trans-144.2165.5178.163.70000111.1V144V144-S152 PolarHBondContact O-N 3.37Å; V144-S152 VanDerWaalsContact O-N 3.15Å
153R95Very high94.2Very high241 Ų241110.3 Ų110.391%0.90950%0.501SS*.PPolyproline II helixtrans-74.3143.2175.9-64.2-177.7-179-179.60.8109.9
154V94.3Very high94.2Very high20 Ų20103.8 Ų103.812%0.12148%0.479CS..PPolyproline II helixtrans-75.6133.4170.7176.30000108M142 V144 R145 H158M142-V154 HydrophobicContact CE-CG1 4.22Å; M142-V154 HydrophobicContact SD-CB 4.44Å; M142-V154 HydrophobicContact SD-CG1 3.91Å; M142-V154 HydrophobicContact SD-CG2 3.95Å; V144-V154 HydrophobicContact CG2-CG2 3.62Å; R145-V154 HydrophobicContact CB-CG2 4.09Å; V154-H158 HydrophobicContact CG1-CB 3.8Å
155G92.6Very high94.2Very high48 Ų48102 Ų10250%0.49547%0.468SS..PPolyproline II helixtrans-65.5145.3177.600000111.7N157 H158G155-N157 PolarHBondContact O-N 3.14Å; G155-N157 VanDerWaalsContact O-N 3.14Å; G155-H158 WeakPolarHBondContact O-CB 3.47Å; G155-H158 PolarHBondContact O-N 3.05Å
156N90Very high94.1Very high118 Ų11896.7 Ų96.763%0.63145%0.449SS*.G310 helixtrans-56.1-37-175.6-161.834.6000113H158 H159N156-H158 PolarHBondContact O-N 3.32Å; N156-H158 VanDerWaalsContact O-N 3.11Å; N156-H159 PolarHBondContact O-N 3.13Å
157N90.1Very high94.1Very high121 Ų12196.5 Ų96.565%0.64745%0.451SS*.G310 helixtrans-68.5-6177.8-64.3-17.3000114.8R16 G155R16-N157 PolarHBondContact NH1-O 3.05Å; G155-N157 PolarHBondContact O-N 3.14Å; G155-N157 VanDerWaalsContact O-N 3.14Å
158H92.4Very high94.1Very high40 Ų4093.2 Ų93.219%0.18544%0.439CS..G310 helixtrans-105.9-14.1177.8-166.675.1000112.1R139 P140 M142 V154 G155 N156R139-H158 WeakPolarHBondContact CD-O 3.23Å; R139-H158 PolarHBondContact NH1-O 2.89Å; P140-H158 PolarHBondContact O-CE1 3.12Å; P140-H158 PolarHBondContact O-NE2 2.91Å; P140-H158 VanDerWaalsContact O-NE2 3.16Å; M142-H158 VanDerWaalsContact CE-O 3.28Å; M142-H158 WeakPolarHBondContact CE-O 3.23Å; V154-H158 HydrophobicContact CG1-CB 3.8Å; G155-H158 WeakPolarHBondContact O-CB 3.47Å; G155-H158 PolarHBondContact O-N 3.05Å; N156-H158 PolarHBondContact O-N 3.32Å; N156-H158 VanDerWaalsContact O-N 3.11Å
159H92.4Very high94Very high64 Ų6481.5 Ų81.530%0.29640%0.395SS..SBendtrans-66.1148.5169.6-73-58.7000111.2R139 N156R139-H159 PolarHBondContact NH1-O 2.85Å; N156-H159 PolarHBondContact O-N 3.13Å
160V93.6Very high94Very high5 Ų575.6 Ų75.63%0.0338%0.376CS..PPolyproline II helixtrans-80.6125.6171.7-177.40000107.1I18 T105 R139 E164 A165I18-V160 HydrophobicContact CD1-CG1 3.99Å; I18-V160 HydrophobicContact CG1-CG2 4.28Å; T105-V160 CarbonylContact C-O 3.49Å; R139-V160 HydrophobicContact CG-CG2 4.28Å; V160-E164 WeakPolarHBondContact CA-OE2 3.47Å; V160-E164 HydrophobicContact CG1-CB 4.19Å; V160-A165 HydrophobicContact CG1-CB 4.16Å
161Q94.1Very high93.9Very high81 Ų8176.4 Ų76.438%0.37938%0.378SS..PPolyproline II helixtrans-86.4160.5175.3-60-62.9-20.900110.8E163 E164 A165Q161-E163 VanDerWaalsContact C-N 3.29Å; Q161-E163 PolarHBondContact O-N 2.89Å; Q161-E164 HydrophobicContact CB-CG 4.12Å; Q161-E164 PolarHBondContact N-OE2 2.9Å; Q161-E164 PolarHBondContact O-N 2.93Å; Q161-E164 VanDerWaalsContact O-N 3.16Å; Q161-A165 PolarHBondContact O-N 3.3Å
162K94.6Very high93.8Very high66 Ų6675.7 Ų75.729%0.28737%0.373SS..Hα-helixtrans-53.4-45.4176.7-176.7173.2170.5146.90112.4K99 F102 S103 A165 M166K99-K162 WeakPolarHBondContact O-CE 3.46Å; K99-K162 PolarHBondContact O-NZ 3.34Å; F102-K162 HydrophobicContact CB-CD 4.37Å; F102-K162 HydrophobicContact CB-CG 3.91Å; F102-K162 WeakPolarHBondContact O-CD 3.37Å; F102-K162 VanDerWaalsContact O-CE 3.25Å; F102-K162 WeakPolarHBondContact O-CE 3.33Å; F102-K162 PolarHBondContact O-NZ 3.41Å; S103-K162 WeakPolarHBondContact O-CB 3.38Å; K162-A165 PolarHBondContact O-N 2.94Å; K162-M166 HydrophobicContact CD-CE 4.09Å; K162-M166 HydrophobicContact CG-CE 3.84Å; K162-M166 WeakPolarHBondContact O-CG 3.27Å; K162-M166 PolarHBondContact O-N 2.76Å
163E93.8Very high93.6Very high159 Ų15974.2 Ų74.274%0.74336%0.359SS*.Hα-helixtrans-66.4-38179.6-63.8174.4-178.900112.4Q161 A165 M166 K167Q161-E163 VanDerWaalsContact C-N 3.29Å; Q161-E163 PolarHBondContact O-N 2.89Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-M166 WeakPolarHBondContact O-CB 3.31Å; E163-M166 PolarHBondContact O-N 3.15Å; E163-K167 PolarHBondContact O-N 3.35Å
164E93.2Very high93.5Very high65 Ų6569.3 Ų69.330%0.30435%0.351SS..Hα-helixtrans-66.1-38.8176.2-64.3179.9144.700111.2I18 R139 V160 Q161 K167 W168I18-E164 HydrophobicContact CD1-CB 3.96Å; R139-E164 IonicContact CZ-OE1 3.92Å; R139-E164 IonicContact CZ-OE2 3.64Å; R139-E164 IonicContact NH1-OE1 3.98Å; R139-E164 IonicContact NH1-OE2 2.77Å; R139-E164 IonicContact NH2-OE1 3.37Å; R139-E164 PolarHBondContact NH2-OE1 3Å; R139-E164 IonicContact NH2-OE2 3.78Å; R139-E164 PolarHBondContact NH2-OE2 3.11Å; R139-E164 VanDerWaalsContact NH2-OE2 3.1Å; V160-E164 WeakPolarHBondContact CA-OE2 3.47Å; V160-E164 HydrophobicContact CG1-CB 4.19Å; Q161-E164 HydrophobicContact CB-CG 4.12Å; Q161-E164 PolarHBondContact N-OE2 2.9Å; Q161-E164 PolarHBondContact O-N 2.93Å; Q161-E164 VanDerWaalsContact O-N 3.16Å; E164-K167 PolarHBondContact O-N 2.82Å; E164-W168 VanDerWaalsContact O-CB 3.31Å; E164-W168 WeakPolarHBondContact O-CB 3.42Å; E164-W168 PolarHBondContact O-N 2.91Å
165A95.5Very high93.4Very high0 Ų068.6 Ų68.60%035%0.348CS..Hα-helixtrans-66.3-39.7175.400000112.4F102 G106 L137 V160 Q161 K162 E163 W168 F169F102-A165 HydrophobicContact CD1-CB 4.07Å; F102-A165 HydrophobicContact CE1-CB 4.45Å; G106-A165 VanDerWaalsContact O-CB 3.28Å; G106-A165 WeakPolarHBondContact O-CB 3.5Å; L137-A165 HydrophobicContact CD1-CB 3.79Å; V160-A165 HydrophobicContact CG1-CB 4.16Å; Q161-A165 PolarHBondContact O-N 3.3Å; K162-A165 PolarHBondContact O-N 2.94Å; E163-A165 VanDerWaalsContact C-N 3.34Å; A165-W168 PolarHBondContact O-N 3.41Å; A165-F169 WeakPolarHBondContact O-CB 3.12Å; A165-F169 PolarHBondContact O-N 3.01Å
166M95.2Very high93.4Very high24 Ų2470.6 Ų70.612%0.11835%0.346CS..Hα-helixtrans-61.3-49.2173.1-77.5-172.2-166.300111.7K99 F102 K162 E163 W168 F169 Q170 L177K99-M166 HydrophobicContact CB-CE 3.78Å; K99-M166 HydrophobicContact CD-CE 4.43Å; K99-M166 HydrophobicContact CD-SD 4.4Å; K99-M166 HydrophobicContact CG-CE 3.84Å; K99-M166 HydrophobicContact CG-SD 4.05Å; F102-M166 HydrophobicContact CB-CE 4Å; F102-M166 HydrophobicContact CB-CG 4.42Å; F102-M166 HydrophobicContact CD1-CG 3.95Å; F102-M166 HydrophobicContact CD2-CE 4.23Å; F102-M166 HydrophobicContact CD2-CG 4.03Å; F102-M166 HydrophobicContact CE1-CG 4.21Å; F102-M166 HydrophobicContact CE2-CG 4.28Å; F102-M166 HydrophobicContact CG-CE 4.22Å; F102-M166 HydrophobicContact CG-CG 3.87Å; F102-M166 HydrophobicContact CZ-CG 4.37Å; K162-M166 HydrophobicContact CD-CE 4.09Å; K162-M166 HydrophobicContact CG-CE 3.84Å; K162-M166 WeakPolarHBondContact O-CG 3.27Å; K162-M166 PolarHBondContact O-N 2.76Å; E163-M166 WeakPolarHBondContact O-CB 3.31Å; E163-M166 PolarHBondContact O-N 3.15Å; M166-W168 VanDerWaalsContact C-N 3.3Å; M166-W168 PolarHBondContact O-N 3.33Å; M166-F169 WeakPolarHBondContact O-CB 3.37Å; M166-F169 PolarHBondContact O-N 3.16Å; M166-Q170 WeakPolarHBondContact O-CG 3.1Å; M166-Q170 PolarHBondContact O-N 2.77Å; M166-L177 HydrophobicContact CB-CD1 3.65Å; M166-L177 HydrophobicContact CG-CD1 3.92Å; M166-L177 HydrophobicContact CG-CD2 4.28Å; M166-L177 HydrophobicContact SD-CD1 3.97Å
167K94.2Very high93.6Very high136 Ų13666.2 Ų66.259%0.59132%0.323SS*.Hα-helixtrans-61-42177.2-174.1172.6-179.1176.80111.1E163 E164 F169 Q170 T171E163-K167 PolarHBondContact O-N 3.35Å; E164-K167 PolarHBondContact O-N 2.82Å; K167-F169 VanDerWaalsContact C-N 3.34Å; K167-F169 PolarHBondContact O-N 2.61Å; K167-Q170 PolarHBondContact O-N 3.05Å; K167-T171 PolarHBondContact O-N 3.29Å; K167-T171 PolarHBondContact O-OG1 3.38Å
168W94.7Very high93.8Very high32 Ų3263 Ų6312%0.12131%0.305CS..Hα-helixtrans-60.2-42.5175.6178.785.6000112.4I18 I20 F108 L137 E164 A165 M166 T171 K172 F173I18-W168 HydrophobicContact CB-CG 4.1Å; I18-W168 HydrophobicContact CD1-CB 4.2Å; I18-W168 HydrophobicContact CG2-CB 4.42Å; I18-W168 HydrophobicContact CG2-CD2 4.2Å; I18-W168 HydrophobicContact CG2-CG 3.84Å; I18-W168 PolarHBondContact O-NE1 2.78Å; I20-W168 HydrophobicContact CD1-CH2 3.87Å; I20-W168 HydrophobicContact CD1-CZ2 4.35Å; I20-W168 HydrophobicContact CG1-CH2 3.55Å; I20-W168 HydrophobicContact CG1-CZ2 3.77Å; F108-W168 HydrophobicContact CE1-CE3 4.38Å; F108-W168 AromaticContact CE1-CZ3 3.85Å; F108-W168 HydrophobicContact CE1-CZ3 3.85Å; F108-W168 HydrophobicContact CZ-CZ3 4.13Å; L137-W168 HydrophobicContact CD1-CD2 4.09Å; L137-W168 HydrophobicContact CD1-CE3 3.66Å; L137-W168 HydrophobicContact CD1-CZ3 4.11Å; L137-W168 HydrophobicContact CD2-CD2 4.28Å; L137-W168 HydrophobicContact CD2-CE3 3.92Å; L137-W168 HydrophobicContact CD2-CH2 3.67Å; L137-W168 HydrophobicContact CD2-CZ2 4.03Å; L137-W168 HydrophobicContact CD2-CZ3 3.62Å; L137-W168 HydrophobicContact CG-CE3 4.47Å; E164-W168 VanDerWaalsContact O-CB 3.31Å; E164-W168 WeakPolarHBondContact O-CB 3.42Å; E164-W168 PolarHBondContact O-N 2.91Å; A165-W168 PolarHBondContact O-N 3.41Å; M166-W168 VanDerWaalsContact C-N 3.3Å; M166-W168 PolarHBondContact O-N 3.33Å; W168-T171 PolarHBondContact O-N 3.3Å; W168-K172 HydrophobicContact CD2-CB 4.37Å; W168-K172 HydrophobicContact CH2-CG 4.4Å; W168-K172 HydrophobicContact CZ2-CB 4.3Å; W168-K172 HydrophobicContact CZ2-CG 3.96Å; W168-K172 WeakPolarHBondContact O-CB 3.22Å; W168-K172 PolarHBondContact O-N 3.47Å; W168-F173 HydrophobicContact CH2-CD2 4.35Å; W168-F173 AromaticContact CH2-CE2 3.63Å; W168-F173 HydrophobicContact CH2-CE2 3.63Å; W168-F173 HydrophobicContact CZ2-CE2 4.49Å; W168-F173 HydrophobicContact CZ3-CD2 4.26Å; W168-F173 AromaticContact CZ3-CE2 3.9Å; W168-F173 HydrophobicContact CZ3-CE2 3.9Å
169F95.5Very high93.4Very high0 Ų067.4 Ų67.40%033%0.33CS..Hα-helixtrans-62.4-43.8177.1-179.5-110.7000111.9L90 Y95 L97 F102 F108 A165 M166 K167 F173 G175 L177L90-F169 HydrophobicContact CD1-CE2 3.83Å; L90-F169 HydrophobicContact CD2-CE2 3.63Å; L90-F169 HydrophobicContact CD2-CZ 4Å; L90-F169 HydrophobicContact CG-CE2 4.38Å; Y95-F169 WeakPolarHBondContact O-CE1 3.36Å; Y95-F169 WeakPolarHBondContact O-CZ 3.47Å; L97-F169 HydrophobicContact CB-CE1 4.13Å; L97-F169 HydrophobicContact CB-CZ 4.37Å; L97-F169 HydrophobicContact CD1-CD2 4.37Å; L97-F169 HydrophobicContact CD1-CE1 3.96Å; L97-F169 HydrophobicContact CD1-CE2 3.77Å; L97-F169 HydrophobicContact CD1-CZ 3.53Å; L97-F169 HydrophobicContact CG-CE1 4.12Å; L97-F169 HydrophobicContact CG-CZ 3.85Å; F102-F169 HydrophobicContact CE1-CB 4.09Å; F102-F169 HydrophobicContact CZ-CB 3.91Å; F102-F169 AromaticContact CZ-CD1 3.93Å; F102-F169 HydrophobicContact CZ-CD1 3.93Å; F102-F169 AromaticContact CZ-CG 3.93Å; F102-F169 HydrophobicContact CZ-CG 3.93Å; F108-F169 HydrophobicContact CE2-CD2 4.46Å; F108-F169 HydrophobicContact CZ-CD2 4.24Å; A165-F169 WeakPolarHBondContact O-CB 3.12Å; A165-F169 PolarHBondContact O-N 3.01Å; M166-F169 WeakPolarHBondContact O-CB 3.37Å; M166-F169 PolarHBondContact O-N 3.16Å; K167-F169 VanDerWaalsContact C-N 3.34Å; K167-F169 PolarHBondContact O-N 2.61Å; F169-F173 HydrophobicContact CD2-CD2 4.14Å; F169-F173 HydrophobicContact CE2-CB 4.41Å; F169-F173 HydrophobicContact CE2-CD2 4.4Å; F169-F173 PolarHBondContact O-N 3.12Å; F169-F173 VanDerWaalsContact O-N 3.16Å; F169-G175 PolarHBondContact O-N 2.95Å; F169-L177 HydrophobicContact CD1-CD2 4Å
170Q95Very high92Very high88 Ų8875.2 Ų75.241%0.41136%0.363SS..Hα-helixtrans-63.4-41.9175.1-67.5-179.8-47.300112.4M166 K167 D174 G175 L177M166-Q170 WeakPolarHBondContact O-CG 3.1Å; M166-Q170 PolarHBondContact O-N 2.77Å; K167-Q170 PolarHBondContact O-N 3.05Å; Q170-D174 WeakPolarHBondContact O-CA 3.29Å; Q170-D174 PolarHBondContact O-N 2.92Å; Q170-G175 WeakPolarHBondContact CG-O 3.48Å; Q170-L177 HydrophobicContact CG-CD1 3.93Å; Q170-L177 HydrophobicContact CG-CG 4.09Å
171T93.6Very high91.9Very high103 Ų10378.8 Ų78.863%0.63238%0.38SS*.Hα-helixtrans-78.7-33.7-177-52.20000113.3K167 W168K167-T171 PolarHBondContact O-N 3.29Å; K167-T171 PolarHBondContact O-OG1 3.38Å; W168-T171 PolarHBondContact O-N 3.3Å
172K93.2Very high91.8Very high119 Ų11978.6 Ų78.652%0.51738%0.38SS..Hα-helixtrans-86.9-35.4-173.1-174.562.2178.3179.30113.1W168W168-K172 HydrophobicContact CD2-CB 4.37Å; W168-K172 HydrophobicContact CH2-CG 4.4Å; W168-K172 HydrophobicContact CZ2-CB 4.3Å; W168-K172 HydrophobicContact CZ2-CG 3.96Å; W168-K172 WeakPolarHBondContact O-CB 3.22Å; W168-K172 PolarHBondContact O-N 3.47Å
173F93.2Very high91.7Very high28 Ų2879.3 Ų79.312%0.12339%0.385CS..Hα-helixtrans-12410.3-173.5-67.3-70.6000113L86 L90 Y95 W168 F169 G175L86-F173 HydrophobicContact CD2-CE2 3.94Å; L86-F173 HydrophobicContact CD2-CZ 3.91Å; L86-F173 HydrophobicContact CG-CZ 4.37Å; L90-F173 HydrophobicContact CD1-CB 4.42Å; L90-F173 HydrophobicContact CD1-CD1 4.02Å; L90-F173 HydrophobicContact CD1-CD2 3.84Å; L90-F173 HydrophobicContact CD1-CE1 4.18Å; L90-F173 HydrophobicContact CD1-CE2 3.99Å; L90-F173 HydrophobicContact CD1-CG 3.85Å; L90-F173 HydrophobicContact CD1-CZ 4.16Å; Y95-F173 HydrophobicContact CD1-CB 3.99Å; Y95-F173 HydrophobicContact CE1-CB 4.33Å; Y95-F173 HydrophobicContact CE1-CD1 4.27Å; W168-F173 HydrophobicContact CH2-CD2 4.35Å; W168-F173 AromaticContact CH2-CE2 3.63Å; W168-F173 HydrophobicContact CH2-CE2 3.63Å; W168-F173 HydrophobicContact CZ2-CE2 4.49Å; W168-F173 HydrophobicContact CZ3-CD2 4.26Å; W168-F173 AromaticContact CZ3-CE2 3.9Å; W168-F173 HydrophobicContact CZ3-CE2 3.9Å; F169-F173 HydrophobicContact CD2-CD2 4.14Å; F169-F173 HydrophobicContact CE2-CB 4.41Å; F169-F173 HydrophobicContact CE2-CD2 4.4Å; F169-F173 PolarHBondContact O-N 3.12Å; F169-F173 VanDerWaalsContact O-N 3.16Å; F173-G175 PolarHBondContact O-N 3.2Å
174D93.2Very high91.6Very high139 Ų13974.6 Ų74.674%0.74336%0.364SS*.  trans51.430.7-174.1-60.5-43.4000113.3Q170Q170-D174 WeakPolarHBondContact O-CA 3.29Å; Q170-D174 PolarHBondContact O-N 2.92Å
175G90.6Very high91.4Very high5 Ų575.3 Ų75.35%0.05237%0.368CS..  trans-74.2146-168.900000114.2Y95 F169 Q170 F173Y95-G175 CarbonylContact O-C 3.33Å; Y95-G175 VanDerWaalsContact O-CA 3.25Å; Y95-G175 WeakPolarHBondContact O-CA 3.49Å; F169-G175 PolarHBondContact O-N 2.95Å; Q170-G175 WeakPolarHBondContact CG-O 3.48Å; F173-G175 PolarHBondContact O-N 3.2Å
176I94.4Very high91.2Very high89 Ų8980.3 Ų80.346%0.45639%0.392SS..EExtended strand (participates in β ladder)trans-96.1131.6-178.7-59.1171.9000109.5Y95 E96 L97 L178Y95-I176 PolarHBondContact O-N 3.32Å; E96-I176 WeakPolarHBondContact CA-O 3.33Å; E96-I176 HydrophobicContact CG-CB 4.2Å; E96-I176 HydrophobicContact CG-CD1 4.46Å; L97-I176 PolarHBondContact N-O 3.24Å; I176-L178 HydrophobicContact CG2-CD2 4.44Å
177L93.5Very high90.9Very high27 Ų2784.3 Ų84.314%0.14141%0.412CS..EExtended strand (participates in β ladder)trans-100.1111.1179.4-64.6175.6000111L97 K99 F102 M166 F169 Q170L97-L177 WeakPolarHBondContact O-CA 3.47Å; K99-L177 HydrophobicContact CG-CB 4.16Å; F102-L177 HydrophobicContact CD2-CD2 4.33Å; F102-L177 HydrophobicContact CE2-CD2 3.43Å; F102-L177 VanDerWaalsContact CE2-CD2 3.43Å; F102-L177 HydrophobicContact CZ-CD2 3.76Å; M166-L177 HydrophobicContact CB-CD1 3.65Å; M166-L177 HydrophobicContact CG-CD1 3.92Å; M166-L177 HydrophobicContact CG-CD2 4.28Å; M166-L177 HydrophobicContact SD-CD1 3.97Å; F169-L177 HydrophobicContact CD1-CD2 4Å; Q170-L177 HydrophobicContact CG-CD1 3.93Å; Q170-L177 HydrophobicContact CG-CG 4.09Å
178L93.3Very high90.6Very high52 Ų5280.3 Ų80.327%0.27240%0.398SS..EExtended strand (participates in β ladder)trans-82.7141.8178.8-57.4170.4000111E96 L97 K99 I176 K180E96-L178 HydrophobicContact CB-CD1 4.02Å; E96-L178 HydrophobicContact CB-CG 4.36Å; L97-L178 PolarHBondContact O-N 3.49Å; K99-L178 WeakPolarHBondContact CG-O 3.38Å; K99-L178 PolarHBondContact N-O 2.87Å; I176-L178 HydrophobicContact CG2-CD2 4.44Å; L178-K180 VanDerWaalsContact C-N 3.35Å
179N85Confident90.3Very high133 Ų13384.3 Ų84.371%0.71142%0.421SS*.  trans-897.4178.7-81.6-18.6000114.2K99K99-N179 VanDerWaalsContact CD-OD1 3.32Å; K99-N179 WeakPolarHBondContact CD-OD1 3.35Å; K99-N179 WeakPolarHBondContact CE-OD1 3.45Å; K99-N179 PolarHBondContact NZ-OD1 2.99Å
180K63.1Low89.8Confident229 Ų22992 Ų92100%0.99646%0.46SS*.  trans-66.70179.2-75.3-178.5178173.70112.5L178L178-K180 VanDerWaalsContact C-N 3.35Å

Retrieved 180 of 180 residues in 36.8 ms (Link to these results)

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