Q99N82_RAT Loading...

Prolactin-inducible protein homolog

AlphaFold DB , UniProt , Accession Q99N82, Species RAT (Rattus norvegicus, Rat), Gene Sval1, Length 145 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
1M39Very low54.1Low252 Ų252146.2 Ų146.2100%1.24176%0.763SS**  079.20-63.2-177.7-140.500108.6
2A46.5Very low54.2Low97 Ų97137.1 Ų137.180%0.80273%0.725SS**  trans-164.3107.617200000102.2
3S55.6Low54.5Low96 Ų96132.9 Ų132.967%0.67171%0.708SS**  -172.983.980.644.20000109.9
4L56.9Low55.2Low155 Ų155130.6 Ų130.681%0.81269%0.694SS**  trans-99.59.5164.3-87.9159.6000112.4I6L4-I6 PolarHBondContact O-N 3.4Å
5Q56.2Low55.7Low173 Ų173129.6 Ų129.681%0.80868%0.684SS**G310 helixtrans-81.7-6.2-176.3-71.1-173-38.500115L7 Y8Q5-L7 PolarHBondContact O-N 3.16Å; Q5-Y8 PolarHBondContact O-N 2.78Å
6I55.9Low56.5Low134 Ų134127.3 Ų127.369%0.68768%0.676SS**G310 helixtrans-71.3-16.9-179-64.8169.6000112.1L4L4-I6 PolarHBondContact O-N 3.4Å
7L53.8Low57.1Low130 Ų130125.8 Ų125.868%0.68167%0.668SS**G310 helixtrans-89.2-0.8-179.7-67.6171.6000114.7Q5Q5-L7 PolarHBondContact O-N 3.16Å
8Y56.5Low57.9Low218 Ų218123.9 Ų123.986%0.85566%0.657SS**G310 helixtrans-92.410.9-178.1-110.8-87.3000114.9Q5Q5-Y8 PolarHBondContact O-N 2.78Å
9Q57.4Low58.4Low125 Ų125124.3 Ų124.358%0.58466%0.658SS**  trans-87.1120.6170.2-76.5-169.7-83.100110.1Q11 A12Q9-Q11 PolarHBondContact O-N 2.87Å; Q9-A12 WeakPolarHBondContact O-CB 3.23Å; Q9-A12 PolarHBondContact O-N 3.16Å
10P57.8Low59Low103 Ų103121.2 Ų121.267%0.66965%0.646SS**Hα-helixtrans-58.6-21-178.321.4-31.6000113.1A12 V13 I14P10-A12 VanDerWaalsContact C-N 3.34Å; P10-A12 PolarHBondContact O-N 2.85Å; P10-V13 PolarHBondContact O-N 3.46Å; P10-I14 PolarHBondContact O-N 2.84Å
11Q59.4Low59.4Low125 Ų125120.2 Ų120.258%0.58464%0.641SS**Hα-helixtrans-61.9-38172.4-166.2171.6-0.300112.2Q9 V13 I14 H15Q9-Q11 PolarHBondContact O-N 2.87Å; Q11-V13 PolarHBondContact O-N 2.76Å; Q11-I14 PolarHBondContact O-N 2.93Å; Q11-H15 PolarHBondContact O-N 2.92Å; Q11-H15 PolarHBondContact O-ND1 2.86Å
12A55.6Low60.6Low37 Ų37113.3 Ų113.331%0.30661%0.608SS.*Hα-helixtrans-67-35.9179.200000112.5Q9 P10 I14 H15 V16Q9-A12 WeakPolarHBondContact O-CB 3.23Å; Q9-A12 PolarHBondContact O-N 3.16Å; P10-A12 VanDerWaalsContact C-N 3.34Å; P10-A12 PolarHBondContact O-N 2.85Å; A12-I14 VanDerWaalsContact C-N 3.33Å; A12-I14 PolarHBondContact O-N 3.35Å; A12-H15 PolarHBondContact O-N 2.76Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.44Å; A12-V16 VanDerWaalsContact O-N 3.12Å
13V58.6Low61.3Low83 Ų83115 Ų11550%0.50360%0.602SS.*Hα-helixtrans-63.2-40.5178.5-178.20000111.2P10 Q11 H15 V16 L17P10-V13 PolarHBondContact O-N 3.46Å; Q11-V13 PolarHBondContact O-N 2.76Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 2.97Å; V13-V16 PolarHBondContact O-N 2.86Å; V13-L17 HydrophobicContact CG1-CD1 4.15Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.87Å; V13-L17 VanDerWaalsContact O-N 3.1Å
14I63.4Low61.3Low101 Ų101116.8 Ų116.852%0.51860%0.6SS.*Hα-helixtrans-63.7-40.3177.7-62.5169.5000111.1P10 Q11 A12 L17 I18P10-I14 PolarHBondContact O-N 2.84Å; Q11-I14 PolarHBondContact O-N 2.93Å; A12-I14 VanDerWaalsContact C-N 3.33Å; A12-I14 PolarHBondContact O-N 3.35Å; I14-L17 PolarHBondContact O-N 2.87Å; I14-I18 HydrophobicContact CG2-CD1 3.91Å; I14-I18 WeakPolarHBondContact O-CG1 3.3Å; I14-I18 PolarHBondContact O-N 3.02Å; I14-I18 VanDerWaalsContact O-N 3.1Å
15H62.6Low61.3Low115 Ų115115.2 Ų115.253%0.53259%0.591SS.*Hα-helixtrans-68.3-39.1-179.9-69.471.7000112Q11 A12 V13 I18 L19Q11-H15 PolarHBondContact O-N 2.92Å; Q11-H15 PolarHBondContact O-ND1 2.86Å; A12-H15 PolarHBondContact O-N 2.76Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 2.97Å; H15-I18 PolarHBondContact O-N 2.99Å; H15-L19 PolarHBondContact O-N 3.13Å; H15-L19 VanDerWaalsContact O-N 3.08Å
16V68.9Low61.1Low92 Ų92111.1 Ų111.156%0.55859%0.587SS**Hα-helixtrans-64.9-42176.2175.30000111.1A12 V13 L19 C20A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.44Å; A12-V16 VanDerWaalsContact O-N 3.12Å; V13-V16 PolarHBondContact O-N 2.86Å; V16-L19 PolarHBondContact O-N 2.79Å; V16-C20 PolarHBondContact O-N 2.77Å; V16-C20 PolarHBondContact O-SG 3.21Å; V16-C20 VanDerWaalsContact O-SG 3.35Å
17L67.4Low60.9Low103 Ų103109.2 Ų109.254%0.53959%0.585SS.*Hα-helixtrans-63.7-42.2178.1-72.4169.4000112.6V13 I14 L19 C20 L21V13-L17 HydrophobicContact CG1-CD1 4.15Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.87Å; V13-L17 VanDerWaalsContact O-N 3.1Å; I14-L17 PolarHBondContact O-N 2.87Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.88Å; L17-C20 PolarHBondContact O-N 2.78Å; L17-L21 PolarHBondContact O-N 2.99Å
18I71.9Confident60.5Low92 Ų92105.5 Ų105.547%0.47258%0.579SS.*Hα-helixtrans-62.4-41175.2-67.1166.5000110.6I14 H15 L21 I22I14-I18 HydrophobicContact CG2-CD1 3.91Å; I14-I18 WeakPolarHBondContact O-CG1 3.3Å; I14-I18 PolarHBondContact O-N 3.02Å; I14-I18 VanDerWaalsContact O-N 3.1Å; H15-I18 PolarHBondContact O-N 2.99Å; I18-L21 PolarHBondContact O-N 3.21Å; I18-I22 HydrophobicContact CG2-CD1 3.91Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 2.9Å
19L66.7Low60Low130 Ų130103.8 Ų103.868%0.68158%0.579SS**Hα-helixtrans-64.5-41.2178.3-142.692.1000112H15 V16 L17 I22 L23H15-L19 PolarHBondContact O-N 3.13Å; H15-L19 VanDerWaalsContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.79Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.88Å; L19-I22 PolarHBondContact O-N 2.81Å; L19-L23 WeakPolarHBondContact O-CB 3.43Å; L19-L23 PolarHBondContact O-N 2.62Å
20C70.9Confident59.6Low62 Ų62102.9 Ų102.942%0.41958%0.577SS.*Hα-helixtrans-64.3-43.6175.7-68.10000111.9V16 L17 I22 L23 E24V16-C20 PolarHBondContact O-N 2.77Å; V16-C20 PolarHBondContact O-SG 3.21Å; V16-C20 VanDerWaalsContact O-SG 3.35Å; L17-C20 PolarHBondContact O-N 2.78Å; C20-I22 PolarHBondContact O-N 2.93Å; C20-L23 PolarHBondContact O-N 3.02Å; C20-E24 WeakPolarHBondContact O-CG 3.26Å; C20-E24 PolarHBondContact O-N 2.83Å
21L66.7Low59Low102 Ų102105.2 Ų105.253%0.53459%0.585SS.*Hα-helixtrans-60.2-44176.1-101.1136.4000111.8L17 I18 L23 E24 I25L17-L21 PolarHBondContact O-N 2.99Å; I18-L21 PolarHBondContact O-N 3.21Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 3.11Å; L21-E24 PolarHBondContact O-N 2.89Å; L21-I25 VanDerWaalsContact O-CD1 3.23Å; L21-I25 WeakPolarHBondContact O-CD1 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 2.85Å
22I64.2Low58.7Low107 Ų107107.4 Ų107.455%0.54959%0.587SS.*Hα-helixtrans-64.2-38.3177.1-64.8168000111I18 L19 C20 I25 A26I18-I22 HydrophobicContact CG2-CD1 3.91Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 2.9Å; L19-I22 PolarHBondContact O-N 2.81Å; C20-I22 PolarHBondContact O-N 2.93Å; I22-I25 PolarHBondContact O-N 3.13Å; I22-A26 WeakPolarHBondContact O-CB 3.26Å; I22-A26 PolarHBondContact O-N 2.87Å
23L61.1Low59.2Low131 Ų131113.5 Ų113.569%0.68662%0.615SS**Hα-helixtrans-68.5-39.1179-16865000112.3L19 C20 L21 A26 S27L19-L23 WeakPolarHBondContact O-CB 3.43Å; L19-L23 PolarHBondContact O-N 2.62Å; C20-L23 PolarHBondContact O-N 3.02Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 3.11Å; L23-A26 PolarHBondContact O-N 2.86Å; L23-S27 PolarHBondContact O-N 3.27Å
24E55.6Low60.5Low135 Ų135111.2 Ų111.263%0.63160%0.601SS**Hα-helixtrans-66.1-43.4175.3-73.9175.8-173.700111.4C20 L21 A26 S27 G28C20-E24 WeakPolarHBondContact O-CG 3.26Å; C20-E24 PolarHBondContact O-N 2.83Å; L21-E24 PolarHBondContact O-N 2.89Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.88Å; E24-S27 PolarHBondContact O-N 3.46Å; E24-S27 VanDerWaalsContact O-N 3.12Å; E24-S27 PolarHBondContact O-OG 2.61Å; E24-G28 PolarHBondContact O-N 2.91Å
25I56.1Low61.9Low122 Ų122107.8 Ų107.863%0.62658%0.584SS**Hα-helixtrans-64.4-36.6177.9-60.4158.1000111.3L21 I22 S27 G28L21-I25 VanDerWaalsContact O-CD1 3.23Å; L21-I25 WeakPolarHBondContact O-CD1 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 2.85Å; I22-I25 PolarHBondContact O-N 3.13Å; I25-S27 PolarHBondContact O-N 3.43Å; I25-G28 PolarHBondContact O-N 2.94Å; I25-G28 VanDerWaalsContact O-N 3.1Å
26A53.3Low63.5Low86 Ų86102.3 Ų102.371%0.71156%0.558SS**Hα-helixtrans-65.8-25176.500000113.1I22 L23 E24I22-A26 WeakPolarHBondContact O-CB 3.26Å; I22-A26 PolarHBondContact O-N 2.87Å; L23-A26 PolarHBondContact O-N 2.86Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.88Å
27S50.7Low64.8Low94 Ų94100.1 Ų100.166%0.65755%0.547SS*.THydrogen-bonded Turntrans-89.9-2.8175.273.10000113.9L23 E24 I25 Q29L23-S27 PolarHBondContact O-N 3.27Å; E24-S27 PolarHBondContact O-N 3.46Å; E24-S27 VanDerWaalsContact O-N 3.12Å; E24-S27 PolarHBondContact O-OG 2.61Å; I25-S27 PolarHBondContact O-N 3.43Å; S27-Q29 VanDerWaalsContact C-N 3.28Å; S27-Q29 PolarHBondContact O-N 2.9Å
28G46.3Very low66.2Low52 Ų5296.3 Ų96.354%0.53653%0.527SS..SBendtrans-65.188.1174.900000110.4E24 I25 D30E24-G28 PolarHBondContact O-N 2.91Å; I25-G28 PolarHBondContact O-N 2.94Å; I25-G28 VanDerWaalsContact O-N 3.1Å; G28-D30 PolarHBondContact O-N 2.79Å
29Q46.4Very low67.5Low183 Ų18396.3 Ų96.386%0.85553%0.528SS*.  trans-19.3106.5164.3-161170.5-15.500110.5S27 N31S27-Q29 VanDerWaalsContact C-N 3.28Å; S27-Q29 PolarHBondContact O-N 2.9Å; Q29-N31 VanDerWaalsContact C-N 3.29Å; Q29-N31 PolarHBondContact O-N 2.73Å
30D47.8Very low69Low105 Ų10590.7 Ų90.756%0.56150%0.499SS*.  trans-52.992.8-174.6-131.9-23.7000107.9G28 R32G28-D30 PolarHBondContact O-N 2.79Å; D30-R32 HydrophobicContact CB-CG 4.32Å; D30-R32 PolarHBondContact O-N 2.87Å; D30-R32 VanDerWaalsContact OD1-CG 3.3Å; D30-R32 WeakPolarHBondContact OD1-CG 3.2Å; D30-R32 IonicContact OD1-CZ 2.83Å; D30-R32 IonicContact OD1-NE 3.65Å; D30-R32 PolarHBondContact OD1-NE 2.85Å; D30-R32 IonicContact OD1-NH2 3.09Å; D30-R32 IonicContact OD2-CZ 3.16Å; D30-R32 IonicContact OD2-NE 2.84Å; D30-R32 PolarHBondContact OD2-NE 2.99Å; D30-R32 IonicContact OD2-NH2 3.59Å; D30-R32 PolarHBondContact OD2-NH2 3.14Å
31N45.3Very low70.3Confident153 Ų15392.6 Ų92.682%0.81850%0.501SS*.  trans-77.634.6179.3-153.222.1000109.5Q29 N33Q29-N31 VanDerWaalsContact C-N 3.29Å; Q29-N31 PolarHBondContact O-N 2.73Å; N31-N33 PolarHBondContact O-N 2.96Å
32R54.5Low71.7Confident171 Ų17189.3 Ų89.365%0.64549%0.486SS*.  trans-56.8137.5168.3-64.4-176.6-168.6-17713.9106D30 T34D30-R32 HydrophobicContact CB-CG 4.32Å; D30-R32 PolarHBondContact O-N 2.87Å; D30-R32 VanDerWaalsContact OD1-CG 3.3Å; D30-R32 WeakPolarHBondContact OD1-CG 3.2Å; D30-R32 IonicContact OD1-CZ 2.83Å; D30-R32 IonicContact OD1-NE 3.65Å; D30-R32 PolarHBondContact OD1-NE 2.85Å; D30-R32 IonicContact OD1-NH2 3.09Å; D30-R32 IonicContact OD2-CZ 3.16Å; D30-R32 IonicContact OD2-NE 2.84Å; D30-R32 PolarHBondContact OD2-NE 2.99Å; D30-R32 IonicContact OD2-NH2 3.59Å; D30-R32 PolarHBondContact OD2-NH2 3.14Å; R32-T34 WeakPolarHBondContact O-CG2 3.37Å; R32-T34 PolarHBondContact O-N 2.82Å
33N65.5Low73.2Confident165 Ų16586.7 Ų86.788%0.88248%0.477SS*.  trans-53.385.5174.7-70.5-15000110.1N31N31-N33 PolarHBondContact O-N 2.96Å
34T85.3Confident74.7Confident35 Ų3584.3 Ų84.322%0.21547%0.471CS..  trans-83.4129.5-179.540.60000107.8R32 L36 K60 Y133R32-T34 WeakPolarHBondContact O-CG2 3.37Å; R32-T34 PolarHBondContact O-N 2.82Å; T34-L36 VanDerWaalsContact C-N 3.25Å; T34-L36 WeakPolarHBondContact CB-O 3.38Å; T34-K60 WeakPolarHBondContact O-CD 3.23Å; T34-K60 PolarHBondContact OG1-NZ 3.35Å; T34-Y133 VanDerWaalsContact CA-OH 3.29Å; T34-Y133 WeakPolarHBondContact CA-OH 3.4Å; T34-Y133 VanDerWaalsContact CB-OH 3.32Å; T34-Y133 WeakPolarHBondContact CB-OH 3.03Å; T34-Y133 WeakPolarHBondContact CG2-OH 3.47Å
35L93.3Very high76.2Confident28 Ų2881.6 Ų81.615%0.14746%0.46CS..SBendtrans-70.2-30.2177.5-61.9-179.9000111.3K60 V61 M65 F128 Y133L35-K60 WeakPolarHBondContact O-CB 3.32Å; L35-K60 PolarHBondContact O-N 3.41Å; L35-V61 HydrophobicContact CD2-CG1 3.8Å; L35-M65 HydrophobicContact CB-CE 4.33Å; L35-M65 HydrophobicContact CB-SD 4.19Å; L35-M65 HydrophobicContact CD1-SD 4.38Å; L35-F128 HydrophobicContact CD1-CD1 4.15Å; L35-F128 HydrophobicContact CD1-CE1 3.47Å; L35-F128 VanDerWaalsContact CD1-CE1 3.47Å; L35-F128 HydrophobicContact CD1-CZ 4.15Å; L35-F128 HydrophobicContact CD2-CE1 3.91Å; L35-F128 HydrophobicContact CD2-CE2 4.48Å; L35-F128 HydrophobicContact CD2-CZ 3.71Å; L35-F128 HydrophobicContact CG-CE1 4.35Å; L35-Y133 HydrophobicContact CB-CD1 4.13Å; L35-Y133 HydrophobicContact CB-CD2 4.42Å; L35-Y133 HydrophobicContact CB-CE1 4.01Å; L35-Y133 HydrophobicContact CB-CE2 4.28Å; L35-Y133 HydrophobicContact CB-CG 4.35Å; L35-Y133 HydrophobicContact CD1-CD1 4.28Å; L35-Y133 HydrophobicContact CD1-CD2 3.75Å; L35-Y133 HydrophobicContact CD1-CE2 4.32Å; L35-Y133 HydrophobicContact CD1-CG 3.73Å; L35-Y133 HydrophobicContact CG-CD2 4.02Å; L35-Y133 HydrophobicContact CG-CE2 4.08Å; L35-Y133 HydrophobicContact CG-CG 4.27Å; L35-Y133 PolarHBondContact N-OH 2.82Å
36L95.2Very high77.3Confident1 Ų178.9 Ų78.91%0.00545%0.447CS..EExtended strand (participates in β ladder)trans-123.7152.2180-60.6175.3000110.2T34 L38 V57 T58 M65 V67 A112 V114 Y133T34-L36 VanDerWaalsContact C-N 3.25Å; T34-L36 WeakPolarHBondContact CB-O 3.38Å; L36-L38 HydrophobicContact CB-CD1 3.81Å; L36-V57 HydrophobicContact CD1-CG1 4.39Å; L36-V57 HydrophobicContact CD2-CG1 4.12Å; L36-T58 CarbonylContact C-O 3.54Å; L36-T58 VanDerWaalsContact CA-O 3.28Å; L36-T58 WeakPolarHBondContact CA-O 3.14Å; L36-M65 HydrophobicContact CD2-CE 3.48Å; L36-M65 VanDerWaalsContact CD2-CE 3.48Å; L36-M65 HydrophobicContact CD2-SD 4.37Å; L36-M65 HydrophobicContact CG-CE 4.21Å; L36-V67 HydrophobicContact CD1-CG1 3.96Å; L36-V67 HydrophobicContact CD1-CG2 4.27Å; L36-A112 HydrophobicContact CD1-CB 3.95Å; L36-V114 HydrophobicContact CD1-CG2 4.02Å; L36-Y133 HydrophobicContact CB-CE1 4.19Å; L36-Y133 HydrophobicContact CD1-CD1 4.33Å; L36-Y133 HydrophobicContact CD1-CE1 4.37Å; L36-Y133 HydrophobicContact CG-CD1 4.47Å; L36-Y133 HydrophobicContact CG-CE1 4.24Å
37S96.5Very high78.2Confident46 Ų4685.1 Ų85.132%0.32246%0.458SS..EExtended strand (participates in β ladder)trans-121.2132.5164.3-170.70000109.4T58S37-T58 PolarHBondContact N-O 2.79Å; S37-T58 PolarHBondContact O-N 3.29Å
38L97.9Very high79.8Confident23 Ų2383 Ų8312%0.1245%0.446CS..EExtended strand (participates in β ladder)trans-113.9134.5-177.5-78.656.1000109L36 L55 T56 V57 A112 E135 V137L36-L38 HydrophobicContact CB-CD1 3.81Å; L38-L55 HydrophobicContact CB-CD1 4.15Å; L38-L55 HydrophobicContact CD2-CD1 4.48Å; L38-L55 HydrophobicContact CG-CD1 4.23Å; L38-T56 WeakPolarHBondContact CA-O 3.42Å; L38-V57 HydrophobicContact CD1-CG1 4.46Å; L38-A112 HydrophobicContact CD1-CB 3.94Å; L38-A112 HydrophobicContact CD2-CB 3.8Å; L38-A112 HydrophobicContact CG-CB 4.15Å; L38-E135 HydrophobicContact CD1-CB 3.74Å; L38-E135 HydrophobicContact CD1-CG 3.65Å; L38-E135 HydrophobicContact CD2-CB 3.97Å; L38-E135 HydrophobicContact CD2-CG 4.02Å; L38-E135 WeakPolarHBondContact CD2-O 2.89Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; L38-V137 HydrophobicContact CB-CB 3.9Å; L38-V137 HydrophobicContact CB-CG1 3.68Å; L38-V137 HydrophobicContact CD2-CG1 4.09Å; L38-V137 HydrophobicContact CG-CG1 4.45Å
39N97.9Very high82.1Confident91 Ų9182.5 Ų82.549%0.48743%0.431SS..EExtended strand (participates in β ladder)trans-125.9127.2168.4176.857000108.6L55 T56N39-L55 WeakPolarHBondContact O-CA 3.44Å; N39-T56 PolarHBondContact N-O 3.1Å; N39-T56 PolarHBondContact O-N 2.8Å
40L98.1Very high84.4Confident12 Ų1276.3 Ų76.36%0.06340%0.402CS..EExtended strand (participates in β ladder)trans-115.8103.9-178.7-175.266.6000109.6V53 T54 L55 L108 V137L40-V53 HydrophobicContact CD1-CG1 3.44Å; L40-V53 VanDerWaalsContact CD1-CG1 3.44Å; L40-V53 HydrophobicContact CG-CG1 4.48Å; L40-T54 WeakPolarHBondContact CA-O 3.41Å; L40-L55 HydrophobicContact CB-CD1 4.42Å; L40-L55 HydrophobicContact CD1-CB 4.04Å; L40-L55 HydrophobicContact CD1-CD1 4.26Å; L40-L108 HydrophobicContact CD1-CD2 4.36Å; L40-L108 HydrophobicContact CD2-CB 4.46Å; L40-L108 HydrophobicContact CD2-CD2 4.2Å; L40-L108 HydrophobicContact CD2-CG 4.13Å; L40-V137 HydrophobicContact CB-CB 4.42Å; L40-V137 HydrophobicContact CB-CG1 3.6Å; L40-V137 HydrophobicContact CB-CG2 3.96Å; L40-V137 HydrophobicContact CD2-CG1 4.32Å; L40-V137 HydrophobicContact CG-CG1 4.49Å
41E97.9Very high86.7Confident102 Ų10272.3 Ų72.348%0.47738%0.38SS..EExtended strand (participates in β ladder)trans-96136.5175.8-169.2-178.2153.900109.8S43 V53 T54E41-S43 PolarHBondContact OE1-OG 2.99Å; E41-V53 WeakPolarHBondContact O-CA 3.49Å; E41-T54 PolarHBondContact N-O 2.82Å; E41-T54 PolarHBondContact O-N 2.77Å
42V96.5Very high89.2Confident34 Ų3467.1 Ų67.121%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-127.5116.2176-176.20000107.9F51 V53 L108 I141V42-F51 HydrophobicContact CG1-CB 3.71Å; V42-F51 HydrophobicContact CG1-CD1 3.78Å; V42-F51 HydrophobicContact CG1-CG 3.96Å; V42-V53 HydrophobicContact CG2-CG2 4.43Å; V42-L108 HydrophobicContact CG2-CD2 4.37Å; V42-I141 HydrophobicContact CG1-CD1 3.87Å; V42-I141 HydrophobicContact CG1-CG1 4.01Å; V42-I141 HydrophobicContact CG1-CG2 4.48Å; V42-I141 HydrophobicContact CG2-CD1 4.29Å; V42-I141 HydrophobicContact CG2-CG1 4.32Å
43S95.4Very high91.2Very high52 Ų5259 Ų5936%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-122.4135.2-174.6-71.50000109.9E41 F51 T52E41-S43 PolarHBondContact OE1-OG 2.99Å; S43-F51 CarbonylContact O-C 3.48Å; S43-F51 VanDerWaalsContact O-CA 3.23Å; S43-F51 WeakPolarHBondContact O-CA 3.48Å; S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.95Å
44S93.3Very high92.8Very high80 Ų8052.3 Ų52.356%0.55929%0.288SS*.EExtended strand (participates in β ladder)trans-71.9133.8179.7173.20000111N46S44-N46 PolarHBondContact OG-O 2.95Å
45I87.1Confident93.4Very high79 Ų7950.6 Ų50.641%0.40528%0.278SS..SBendtrans-83-38.9175.9-56.1174.9000110.2E50 T52 D99I45-E50 HydrophobicContact CB-CB 4.37Å; I45-E50 HydrophobicContact CD1-CB 4.39Å; I45-E50 PolarHBondContact N-O 3.21Å; I45-T52 VanDerWaalsContact CD1-OG1 3.26Å; I45-T52 WeakPolarHBondContact CD1-OG1 3.46Å; I45-T52 WeakPolarHBondContact CG1-OG1 3.45Å; I45-D99 HydrophobicContact CD1-CB 4.14Å
46N80Confident93.6Very high64 Ų6450.5 Ų50.534%0.34228%0.278SS..SBendtrans-160.9-176.3-177.561.826.4000111.2S44 A48 E50S44-N46 PolarHBondContact OG-O 2.95Å; N46-A48 PolarHBondContact O-N 2.72Å; N46-A48 VanDerWaalsContact O-N 3.16Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 VanDerWaalsContact OD1-CB 3.23Å; N46-A48 WeakPolarHBondContact OD1-CB 3.32Å; N46-A48 PolarHBondContact OD1-N 2.9Å; N46-E50 PolarHBondContact ND2-OE2 2.9Å
47K72.3Confident93.8Very high218 Ų21850.4 Ų50.495%0.94828%0.278SS*.SBendtrans-74.19.2176.9-65.1-165179.4-171.30115.2
48A83.8Confident93.9Very high49 Ų4950 Ų5041%0.40527%0.274SS..SBendtrans-102.328.1-171.100000114.2N46 E50 H101N46-A48 PolarHBondContact O-N 2.72Å; N46-A48 VanDerWaalsContact O-N 3.16Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 VanDerWaalsContact OD1-CB 3.23Å; N46-A48 WeakPolarHBondContact OD1-CB 3.32Å; N46-A48 PolarHBondContact OD1-N 2.9Å; A48-E50 HydrophobicContact CB-CG 4.49Å; A48-E50 PolarHBondContact O-N 2.89Å; A48-E50 VanDerWaalsContact O-N 3.16Å; A48-H101 PolarHBondContact O-ND1 2.98Å
49N93.5Very high93.8Very high42 Ų4249.7 Ų49.723%0.22527%0.272CS..SBendtrans54.729.5-174.5-60.5-34.1000113.5F51 H101 V102 V143N49-F51 HydrophobicContact CB-CE2 4.37Å; N49-F51 WeakPolarHBondContact O-CD2 3.26Å; N49-F51 WeakPolarHBondContact O-CE2 3.4Å; N49-H101 WeakPolarHBondContact O-CA 3.02Å; N49-V102 VanDerWaalsContact CB-O 3.26Å; N49-V102 WeakPolarHBondContact CB-O 3.46Å; N49-V102 PolarHBondContact O-N 3.45Å; N49-V143 HydrophobicContact CB-CG1 4.06Å; N49-V143 WeakPolarHBondContact OD1-CB 3.1Å
50E95.7Very high93.6Very high52 Ų5250.5 Ų50.524%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-99.8135.2172-66.1177.1164.700109.8I45 N46 A48 L80 I100I45-E50 HydrophobicContact CB-CB 4.37Å; I45-E50 HydrophobicContact CD1-CB 4.39Å; I45-E50 PolarHBondContact N-O 3.21Å; N46-E50 PolarHBondContact ND2-OE2 2.9Å; A48-E50 HydrophobicContact CB-CG 4.49Å; A48-E50 PolarHBondContact O-N 2.89Å; A48-E50 VanDerWaalsContact O-N 3.16Å; E50-L80 HydrophobicContact CB-CD1 4.35Å; E50-L80 HydrophobicContact CG-CD1 4.11Å; E50-I100 CarbonylContact C-O 3.56Å; E50-I100 VanDerWaalsContact CA-O 3.3Å; E50-I100 WeakPolarHBondContact CA-O 3.49Å
51F96.1Very high93.4Very high22 Ų2251.7 Ų51.710%0.09628%0.278CS..EExtended strand (participates in β ladder)trans-135.1140.8-175-57.5-95.6000110.3V42 S43 N49 D99 I100 V102 I141 V143V42-F51 HydrophobicContact CG1-CB 3.71Å; V42-F51 HydrophobicContact CG1-CD1 3.78Å; V42-F51 HydrophobicContact CG1-CG 3.96Å; S43-F51 CarbonylContact O-C 3.48Å; S43-F51 VanDerWaalsContact O-CA 3.23Å; S43-F51 WeakPolarHBondContact O-CA 3.48Å; N49-F51 HydrophobicContact CB-CE2 4.37Å; N49-F51 WeakPolarHBondContact O-CD2 3.26Å; N49-F51 WeakPolarHBondContact O-CE2 3.4Å; F51-D99 WeakPolarHBondContact O-CA 3.48Å; F51-I100 HydrophobicContact CB-CD1 4.49Å; F51-I100 HydrophobicContact CB-CG1 4.01Å; F51-I100 PolarHBondContact N-O 2.8Å; F51-I100 WeakPolarHBondContact O-CG1 3.38Å; F51-I100 PolarHBondContact O-N 2.83Å; F51-V102 HydrophobicContact CD2-CB 4.2Å; F51-V102 HydrophobicContact CD2-CG2 3.75Å; F51-V102 HydrophobicContact CE2-CB 3.98Å; F51-V102 HydrophobicContact CE2-CG2 4.01Å; F51-I141 HydrophobicContact CD1-CG2 4.11Å; F51-I141 HydrophobicContact CD2-CG2 3.94Å; F51-I141 HydrophobicContact CE1-CG2 3.78Å; F51-I141 HydrophobicContact CE2-CG2 3.61Å; F51-I141 HydrophobicContact CG-CG2 4.18Å; F51-I141 HydrophobicContact CZ-CG2 3.52Å; F51-V143 HydrophobicContact CE2-CG1 4.42Å
52T96.5Very high93.2Very high44 Ų4454.1 Ų54.127%0.2730%0.295SS..EExtended strand (participates in β ladder)trans-91.7128.7163.8-64.30000108.2S43 I45 D99S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.95Å; I45-T52 VanDerWaalsContact CD1-OG1 3.26Å; I45-T52 WeakPolarHBondContact CD1-OG1 3.46Å; I45-T52 WeakPolarHBondContact CG1-OG1 3.45Å; T52-D99 WeakPolarHBondContact CB-OD1 3.23Å; T52-D99 PolarHBondContact OG1-OD1 2.83Å
53V97.5Very high93Very high1 Ų155.5 Ų55.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-104130.4176.4179.10000108.2L40 E41 V42 F97 W98 I100 L108L40-V53 HydrophobicContact CD1-CG1 3.44Å; L40-V53 VanDerWaalsContact CD1-CG1 3.44Å; L40-V53 HydrophobicContact CG-CG1 4.48Å; E41-V53 WeakPolarHBondContact O-CA 3.49Å; V42-V53 HydrophobicContact CG2-CG2 4.43Å; V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.38Å; V53-W98 HydrophobicContact CB-CB 4.42Å; V53-W98 HydrophobicContact CB-CE3 4.34Å; V53-W98 WeakPolarHBondContact CB-O 3.28Å; V53-W98 HydrophobicContact CG1-CE3 4.01Å; V53-W98 PolarHBondContact N-O 2.03Å; V53-W98 PolarHBondContact O-N 3.16Å; V53-W98 VanDerWaalsContact O-N 3.11Å; V53-I100 HydrophobicContact CG2-CD1 3.55Å; V53-I100 HydrophobicContact CG2-CG1 3.88Å; V53-I100 HydrophobicContact CG2-CG2 4.47Å; V53-L108 HydrophobicContact CB-CD2 4.14Å; V53-L108 HydrophobicContact CG1-CD2 3.52Å; V53-L108 HydrophobicContact CG2-CD2 3.46Å; V53-L108 VanDerWaalsContact CG2-CD2 3.46Å
54T98.2Very high93Very high23 Ų2353.3 Ų53.314%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-119.4116.5169.4-56.10000109.3L40 E41 N95 F96 F97L40-T54 WeakPolarHBondContact CA-O 3.41Å; E41-T54 PolarHBondContact N-O 2.82Å; E41-T54 PolarHBondContact O-N 2.77Å; T54-N95 HydrophobicContact CG2-CB 4.2Å; T54-F96 CarbonylContact C-O 3.59Å; T54-F96 WeakPolarHBondContact CA-O 3.28Å; T54-F97 HydrophobicContact CG2-CD1 3.95Å; T54-F97 HydrophobicContact CG2-CE1 3.44Å; T54-F97 VanDerWaalsContact CG2-CE1 3.44Å; T54-F97 HydrophobicContact CG2-CZ 4.1Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.4Å; T54-F97 VanDerWaalsContact OG1-CE1 3.27Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.49Å
55L98.5Very high93.2Very high0 Ų049.5 Ų49.50%026%0.256CS..EExtended strand (participates in β ladder)trans-100.1109.7168.2178.957.2000109.2L38 N39 L40 V57 I69 N95 F96 W98 V137L38-L55 HydrophobicContact CB-CD1 4.15Å; L38-L55 HydrophobicContact CD2-CD1 4.48Å; L38-L55 HydrophobicContact CG-CD1 4.23Å; N39-L55 WeakPolarHBondContact O-CA 3.44Å; L40-L55 HydrophobicContact CB-CD1 4.42Å; L40-L55 HydrophobicContact CD1-CB 4.04Å; L40-L55 HydrophobicContact CD1-CD1 4.26Å; L55-V57 HydrophobicContact CG-CG2 4.13Å; L55-I69 HydrophobicContact CD2-CG2 3.54Å; L55-I69 HydrophobicContact CG-CG2 4.48Å; L55-N95 WeakPolarHBondContact O-CA 3.29Å; L55-F96 PolarHBondContact N-O 3.48Å; L55-F96 PolarHBondContact O-N 2.88Å; L55-W98 HydrophobicContact CB-CH2 4.28Å; L55-W98 HydrophobicContact CB-CZ3 3.76Å; L55-W98 HydrophobicContact CD2-CH2 4.25Å; L55-W98 HydrophobicContact CD2-CZ3 4.45Å; L55-V137 HydrophobicContact CD1-CG1 3.64Å
56T98.6Very high93.6Very high25 Ų2546.1 Ų46.115%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-89.3123.8171.8-56.30000109.3L38 N39 I93 N95L38-T56 WeakPolarHBondContact CA-O 3.42Å; N39-T56 PolarHBondContact N-O 3.1Å; N39-T56 PolarHBondContact O-N 2.8Å; T56-I93 HydrophobicContact CG2-CG2 3.54Å; T56-N95 WeakPolarHBondContact CA-OD1 3.41Å; T56-N95 VanDerWaalsContact CB-OD1 3.32Å; T56-N95 WeakPolarHBondContact CB-OD1 3.23Å; T56-N95 WeakPolarHBondContact CG2-OD1 3.47Å; T56-N95 PolarHBondContact OG1-OD1 2.71Å
57V98.3Very high94.4Very high0 Ų043.1 Ų43.10%022%0.223CC..EExtended strand (participates in β ladder)trans-112.6118.1175.8-176.20000108.2L36 L38 L55 I69 I90 I93 H94 F96 A112L36-V57 HydrophobicContact CD1-CG1 4.39Å; L36-V57 HydrophobicContact CD2-CG1 4.12Å; L38-V57 HydrophobicContact CD1-CG1 4.46Å; L55-V57 HydrophobicContact CG-CG2 4.13Å; V57-I69 HydrophobicContact CG2-CD1 3.76Å; V57-I69 HydrophobicContact CG2-CG1 4.46Å; V57-I90 HydrophobicContact CG1-CG2 4.37Å; V57-I93 WeakPolarHBondContact O-CA 3.43Å; V57-H94 PolarHBondContact N-O 3.4Å; V57-H94 PolarHBondContact O-N 3.41Å; V57-F96 HydrophobicContact CB-CE2 4.23Å; V57-F96 HydrophobicContact CG2-CD2 3.98Å; V57-F96 HydrophobicContact CG2-CE2 3.88Å; V57-A112 HydrophobicContact CG1-CB 4.43Å; V57-A112 HydrophobicContact CG2-CB 4.45Å
58T98Very high95.6Very high38 Ų3836.6 Ų36.623%0.23320%0.195CC..EExtended strand (participates in β ladder)trans-109.8122.5178.3-58.30000110L36 S37 T92 I93L36-T58 CarbonylContact C-O 3.54Å; L36-T58 VanDerWaalsContact CA-O 3.28Å; L36-T58 WeakPolarHBondContact CA-O 3.14Å; S37-T58 PolarHBondContact N-O 2.79Å; S37-T58 PolarHBondContact O-N 3.29Å; T58-T92 CarbonylContact C-O 3.6Å; T58-T92 WeakPolarHBondContact CA-O 3.44Å; T58-I93 HydrophobicContact CG2-CD1 4.25Å; T58-I93 HydrophobicContact CG2-CG1 3.85Å
59N96.1Very high96.3Very high15 Ų1534.3 Ų34.38%0.0818%0.176CC..EExtended strand (participates in β ladder)trans-73.4127.5168-176.113.4000110.2V61 K63 M65 I90 C91 T92N59-V61 PolarHBondContact ND2-O 3.37Å; N59-V61 WeakPolarHBondContact OD1-CG2 3.27Å; N59-V61 PolarHBondContact OD1-N 3.47Å; N59-V61 PolarHBondContact OD1-O 3.05Å; N59-K63 PolarHBondContact ND2-O 3.31Å; N59-M65 HydrophobicContact CB-CE 4.38Å; N59-M65 WeakPolarHBondContact OD1-CE 3.25Å; N59-I90 HydrophobicContact CB-CG2 4.13Å; N59-I90 PolarHBondContact ND2-O 3.25Å; N59-C91 PolarHBondContact ND2-O 3.12Å; N59-T92 WeakPolarHBondContact CB-O 3.17Å; N59-T92 PolarHBondContact N-O 3.47Å
60K95.1Very high96.6Very high108 Ų10832.9 Ų32.947%0.4717%0.169SC..  trans-100.7-0.1177.7-72.5176.8159.7163.30113.6T34 L35T34-K60 WeakPolarHBondContact O-CD 3.23Å; T34-K60 PolarHBondContact OG1-NZ 3.35Å; L35-K60 WeakPolarHBondContact O-CB 3.32Å; L35-K60 PolarHBondContact O-N 3.41Å
61V93Very high96.7Very high37 Ų3730.7 Ų30.722%0.22416%0.159CC..SBendtrans-114162.4178.1-61.40000111.6L35 N59 K63 M65 F128L35-V61 HydrophobicContact CD2-CG1 3.8Å; N59-V61 PolarHBondContact ND2-O 3.37Å; N59-V61 WeakPolarHBondContact OD1-CG2 3.27Å; N59-V61 PolarHBondContact OD1-N 3.47Å; N59-V61 PolarHBondContact OD1-O 3.05Å; V61-K63 PolarHBondContact O-N 3.5Å; V61-M65 HydrophobicContact CG2-CE 3.65Å; V61-M65 HydrophobicContact CG2-SD 4.47Å; V61-F128 HydrophobicContact CG1-CE2 4.4Å; V61-F128 HydrophobicContact CG2-CD2 3.97Å; V61-F128 HydrophobicContact CG2-CE2 4.33Å; V61-F128 HydrophobicContact CG2-CG 4.37Å
62D92.6Very high96.7Very high154 Ų15434.8 Ų34.882%0.82418%0.179SC*.SBendtrans-80.51.1-177.264.8-20.8000114.2
63K94.3Very high96.7Very high62 Ų6238.9 Ų38.927%0.2720%0.199SC..SBendtrans-115.3143.4178.2-66.1-172.8-173.8-166.10110.6N59 V61 N126 F128N59-K63 PolarHBondContact ND2-O 3.31Å; V61-K63 PolarHBondContact O-N 3.5Å; K63-N126 WeakPolarHBondContact CA-O 3.43Å; K63-N126 VanDerWaalsContact CB-O 3.29Å; K63-N126 WeakPolarHBondContact CB-O 3.3Å; K63-N126 WeakPolarHBondContact CE-ND2 3.34Å; K63-N126 HydrophobicContact CG-CB 4.46Å; K63-F128 HydrophobicContact CB-CB 3.94Å; K63-F128 HydrophobicContact CB-CD2 4.13Å; K63-F128 HydrophobicContact CD-CD2 4.22Å
64C95.4Very high96.6Very high7 Ų740.6 Ų40.65%0.04721%0.208CC..BIsolated β-bridgetrans-70.7150.7177.1-54.90000110.9I90 C91 E125 N126 I127 F128C64-I90 WeakPolarHBondContact CA-O 3.45Å; C64-C91 HydrophobicContact CB-CB 4.1Å; C64-C91 WeakPolarHBondContact CB-SG 3.45Å; C64-C91 WeakPolarHBondContact SG-CB 3.44Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 3.44Å; C64-E125 PolarHBondContact SG-OE2 3.37Å; C64-N126 PolarHBondContact N-O 3.31Å; C64-N126 VanDerWaalsContact N-O 3.14Å; C64-I127 HydrophobicContact CB-CD1 4.14Å; C64-I127 CarbonylContact O-C 3.59Å; C64-I127 WeakPolarHBondContact O-CA 3.34Å; C64-F128 PolarHBondContact O-N 3.02Å
65M95.7Very high96.6Very high0 Ų045.3 Ų45.30%024%0.239CC..EExtended strand (participates in β ladder)trans-124.3141.1174.6-79.3173.9-73.800110.1L35 L36 N59 V61 V67 C89 I90 V114 F128L35-M65 HydrophobicContact CB-CE 4.33Å; L35-M65 HydrophobicContact CB-SD 4.19Å; L35-M65 HydrophobicContact CD1-SD 4.38Å; L36-M65 HydrophobicContact CD2-CE 3.48Å; L36-M65 VanDerWaalsContact CD2-CE 3.48Å; L36-M65 HydrophobicContact CD2-SD 4.37Å; L36-M65 HydrophobicContact CG-CE 4.21Å; N59-M65 HydrophobicContact CB-CE 4.38Å; N59-M65 WeakPolarHBondContact OD1-CE 3.25Å; V61-M65 HydrophobicContact CG2-CE 3.65Å; V61-M65 HydrophobicContact CG2-SD 4.47Å; M65-V67 HydrophobicContact CB-CG2 3.75Å; M65-C89 CarbonylContact O-C 3.59Å; M65-I90 PolarHBondContact N-O 3.41Å; M65-I90 PolarHBondContact O-N 3.46Å; M65-V114 HydrophobicContact CB-CG1 4.05Å; M65-V114 HydrophobicContact CB-CG2 4.45Å; M65-V114 HydrophobicContact CG-CG1 4.02Å; M65-V114 HydrophobicContact CG-CG2 4.42Å; M65-V114 HydrophobicContact SD-CG1 4.25Å; M65-V114 HydrophobicContact SD-CG2 3.71Å; M65-F128 HydrophobicContact CG-CB 3.53Å; M65-F128 HydrophobicContact CG-CD1 4.3Å; M65-F128 HydrophobicContact CG-CG 4.2Å; M65-F128 HydrophobicContact SD-CB 4.33Å; M65-F128 HydrophobicContact SD-CD1 4.13Å; M65-F128 HydrophobicContact SD-CG 4.39Å
66V96.5Very high96.5Very high8 Ų847.9 Ų47.95%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-83.9118.1166-175.20000107.5T87 V114 V115 D117 I120 C121V66-T87 HydrophobicContact CG1-CG2 3.73Å; V66-V114 CarbonylContact O-C 3.57Å; V66-V114 WeakPolarHBondContact O-CA 3.44Å; V66-V115 HydrophobicContact CB-CG2 4.35Å; V66-V115 HydrophobicContact CG1-CG2 3.77Å; V66-V115 PolarHBondContact O-N 2.84Å; V66-D117 HydrophobicContact CG1-CB 4.06Å; V66-I120 HydrophobicContact CG1-CB 3.73Å; V66-I120 HydrophobicContact CG1-CG1 3.78Å; V66-I120 HydrophobicContact CG1-CG2 3.83Å; V66-I120 HydrophobicContact CG2-CB 4.11Å; V66-C121 VanDerWaalsContact CG2-SG 3.58Å
67V97.5Very high96.5Very high0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-125127-171.6-164.60000110.2L36 M65 I69 T87 A88 I90 A112 E113 V114L36-V67 HydrophobicContact CD1-CG1 3.96Å; L36-V67 HydrophobicContact CD1-CG2 4.27Å; M65-V67 HydrophobicContact CB-CG2 3.75Å; V67-I69 HydrophobicContact CB-CD1 4.1Å; V67-I69 HydrophobicContact CG1-CD1 3.42Å; V67-I69 VanDerWaalsContact CG1-CD1 3.42Å; V67-T87 WeakPolarHBondContact O-CA 3.49Å; V67-A88 PolarHBondContact N-O 3.4Å; V67-A88 PolarHBondContact O-N 3.1Å; V67-I90 HydrophobicContact CB-CG1 3.75Å; V67-I90 HydrophobicContact CG2-CB 4.05Å; V67-I90 HydrophobicContact CG2-CG1 3.5Å; V67-A112 HydrophobicContact CG1-CB 3.84Å; V67-E113 CarbonylContact C-O 3.58Å; V67-E113 WeakPolarHBondContact CA-O 3.4Å; V67-E113 WeakPolarHBondContact CG1-O 3.32Å; V67-V114 HydrophobicContact CG2-CG2 4.39Å
68K97.8Very high96.4Very high82 Ų8254.6 Ų54.636%0.35728%0.281SS..EExtended strand (participates in β ladder)trans-89.2118.7170.5-173.7176.3-178.4176.40109.8T85 Y86 E113 V115K68-T85 HydrophobicContact CD-CG2 4.24Å; K68-T85 VanDerWaalsContact CE-CG2 3.41Å; K68-T85 HydrophobicContact CG-CG2 3.79Å; K68-Y86 CarbonylContact C-O 3.47Å; K68-Y86 VanDerWaalsContact CA-O 3.29Å; K68-Y86 WeakPolarHBondContact CA-O 3.32Å; K68-E113 HydrophobicContact CB-CB 4.48Å; K68-E113 PolarHBondContact N-O 3.4Å; K68-E113 PolarHBondContact O-N 2.91Å; K68-V115 HydrophobicContact CB-CG1 3.81Å; K68-V115 HydrophobicContact CB-CG2 4.31Å; K68-V115 HydrophobicContact CD-CG1 4.46Å
69I98.3Very high96.4Very high0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-108.6126.5-176.7-50.2-54.6000109.7L55 V57 V67 T85 Y86 F96 W98 K111 A112L55-I69 HydrophobicContact CD2-CG2 3.54Å; L55-I69 HydrophobicContact CG-CG2 4.48Å; V57-I69 HydrophobicContact CG2-CD1 3.76Å; V57-I69 HydrophobicContact CG2-CG1 4.46Å; V67-I69 HydrophobicContact CB-CD1 4.1Å; V67-I69 HydrophobicContact CG1-CD1 3.42Å; V67-I69 VanDerWaalsContact CG1-CD1 3.42Å; I69-T85 WeakPolarHBondContact O-CA 3.34Å; I69-Y86 PolarHBondContact N-O 3.43Å; I69-Y86 PolarHBondContact O-N 3.49Å; I69-F96 HydrophobicContact CB-CD1 4.32Å; I69-F96 HydrophobicContact CB-CD2 4.34Å; I69-F96 HydrophobicContact CB-CE1 4.46Å; I69-F96 HydrophobicContact CB-CG 4.25Å; I69-F96 HydrophobicContact CD1-CE2 4.31Å; I69-F96 HydrophobicContact CG1-CD1 4.29Å; I69-F96 HydrophobicContact CG1-CD2 3.92Å; I69-F96 HydrophobicContact CG1-CE1 4Å; I69-F96 HydrophobicContact CG1-CE2 3.64Å; I69-F96 HydrophobicContact CG1-CG 4.25Å; I69-F96 HydrophobicContact CG1-CZ 3.68Å; I69-F96 HydrophobicContact CG2-CB 4.13Å; I69-F96 HydrophobicContact CG2-CD1 4.4Å; I69-F96 HydrophobicContact CG2-CD2 3.93Å; I69-F96 HydrophobicContact CG2-CG 3.87Å; I69-W98 HydrophobicContact CG2-CH2 3.83Å; I69-W98 HydrophobicContact CG2-CZ2 4.42Å; I69-K111 WeakPolarHBondContact CA-O 3.46Å; I69-A112 HydrophobicContact CD1-CB 3.58Å
70S98.1Very high96.3Very high13 Ų1358 Ų589%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-150.2168.3-177.554.70000111.2K111S70-K111 PolarHBondContact N-O 3.44Å; S70-K111 PolarHBondContact O-N 3.19Å; S70-K111 VanDerWaalsContact OG-CE 3.23Å; S70-K111 WeakPolarHBondContact OG-CE 3.48Å
71T97.8Very high96.1Very high6 Ų657.1 Ų57.14%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-116.2145.2170.849.90000110Y79 K83 W98 L108 Q109T71-Y79 WeakPolarHBondContact CB-OH 3.42Å; T71-Y79 PolarHBondContact OG1-OH 3.38Å; T71-K83 WeakPolarHBondContact O-CE 3.31Å; T71-K83 PolarHBondContact O-NZ 3.25Å; T71-K83 VanDerWaalsContact OG1-CE 3.31Å; T71-K83 WeakPolarHBondContact OG1-CE 3.25Å; T71-W98 HydrophobicContact CG2-CD2 4.18Å; T71-W98 HydrophobicContact CG2-CE3 4.22Å; T71-W98 HydrophobicContact CG2-CH2 4.17Å; T71-W98 HydrophobicContact CG2-CZ2 4.1Å; T71-W98 HydrophobicContact CG2-CZ3 4.23Å; T71-L108 HydrophobicContact CG2-CD1 4.11Å; T71-Q109 CarbonylContact C-O 3.51Å; T71-Q109 VanDerWaalsContact CA-O 3.25Å; T71-Q109 WeakPolarHBondContact CA-O 3.25Å
72E96.5Very high96Very high107 Ų10759.3 Ų59.350%0.532%0.323SS..  trans-68.4150.6175.4-164.2169.4-163.200111Q109E72-Q109 HydrophobicContact CB-CB 3.91Å; E72-Q109 PolarHBondContact N-O 3.05Å; E72-Q109 PolarHBondContact OE2-NE2 2.64Å; E72-Q109 PolarHBondContact OE2-OE1 3.46Å; E72-Q109 VanDerWaalsContact OE2-OE1 3.14Å
73D96Very high96Very high131 Ų13155.6 Ų55.670%0.70130%0.3SS*.  trans-67.2134.9174.3-74-44.4000111K83D73-K83 IonicContact OD1-NZ 2.61Å; D73-K83 PolarHBondContact OD1-NZ 3.08Å; D73-K83 IonicContact OD2-NZ 3.9Å
74N97Very high96Very high36 Ų3654 Ų5419%0.19330%0.298CS..  trans-143.3121176.1-169.8-55.6000109.2N76 I77 T106 V107N74-N76 PolarHBondContact O-N 3.44Å; N74-N76 VanDerWaalsContact O-N 3.13Å; N74-N76 WeakPolarHBondContact OD1-CB 3.42Å; N74-N76 PolarHBondContact OD1-N 3.35Å; N74-I77 HydrophobicContact CB-CB 4.19Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.9Å; N74-I77 PolarHBondContact O-N 2.98Å; N74-T106 VanDerWaalsContact CG-OG1 3.27Å; N74-T106 PolarHBondContact ND2-OG1 2.95Å; N74-T106 PolarHBondContact OD1-OG1 3.03Å; N74-V107 PolarHBondContact ND2-O 3.39Å
75P97.2Very high96.1Very high123 Ų12357.3 Ų57.380%0.79932%0.318SS*.THydrogen-bonded Turntrans-64.8-19-175.426.4-35.1000113.7I77P75-I77 VanDerWaalsContact C-N 3.33Å
76N97.6Very high96.2Very high54 Ų5461.2 Ų61.229%0.28933%0.333SS..THydrogen-bonded Turntrans-87.2-1.4177.2-60.8-46.1000113.2N74 V102 S103 A104 T106N74-N76 PolarHBondContact O-N 3.44Å; N74-N76 VanDerWaalsContact O-N 3.13Å; N74-N76 WeakPolarHBondContact OD1-CB 3.42Å; N74-N76 PolarHBondContact OD1-N 3.35Å; N76-V102 CarbonylContact O-C 3.59Å; N76-V102 VanDerWaalsContact O-CA 3.32Å; N76-V102 WeakPolarHBondContact O-CA 2.97Å; N76-S103 WeakPolarHBondContact CA-OG 3.37Å; N76-S103 PolarHBondContact O-N 2.99Å; N76-S103 PolarHBondContact O-OG 2.86Å; N76-A104 HydrophobicContact CB-CB 4.49Å; N76-T106 HydrophobicContact CB-CG2 4.29Å
77I97.6Very high96.2Very high14 Ų1463.4 Ų63.47%0.07235%0.347CS..EExtended strand (participates in β ladder)trans-117.6123.6-176.2-57.7-176.2000109.2N74 P75 Y79 I100 V102 T106 L108N74-I77 HydrophobicContact CB-CB 4.19Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.9Å; N74-I77 PolarHBondContact O-N 2.98Å; P75-I77 VanDerWaalsContact C-N 3.33Å; I77-Y79 HydrophobicContact CG2-CE2 4.16Å; I77-I100 HydrophobicContact CD1-CD1 4.48Å; I77-I100 HydrophobicContact CG2-CB 3.81Å; I77-I100 HydrophobicContact CG2-CD1 3.89Å; I77-I100 HydrophobicContact CG2-CG1 4.42Å; I77-I100 HydrophobicContact CG2-CG2 3.8Å; I77-V102 HydrophobicContact CG1-CG2 4.35Å; I77-T106 HydrophobicContact CD1-CG2 3.94Å; I77-T106 HydrophobicContact CG1-CG2 3.85Å; I77-L108 HydrophobicContact CD1-CB 4.03Å; I77-L108 HydrophobicContact CD1-CD1 3.78Å; I77-L108 HydrophobicContact CD1-CG 4.48Å
78K96.8Very high96.2Very high152 Ų15264.3 Ų64.366%0.66135%0.354SS*.EExtended strand (participates in β ladder)trans-112.5132.2169.2-67.7-176.71801790109.2I100 H101K78-I100 CarbonylContact O-C 3.6Å; K78-I100 VanDerWaalsContact O-CA 3.26Å; K78-I100 WeakPolarHBondContact O-CA 3.11Å; K78-H101 PolarHBondContact N-O 2.04Å; K78-H101 PolarHBondContact O-N 2.89Å
79Y96.9Very high96.2Very high44 Ų4461.3 Ų61.317%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-78.7128.8173.9-67.2-98000108.5T71 I77 S81 K83 W98 I100T71-Y79 WeakPolarHBondContact CB-OH 3.42Å; T71-Y79 PolarHBondContact OG1-OH 3.38Å; I77-Y79 HydrophobicContact CG2-CE2 4.16Å; Y79-S81 CarbonylContact C-O 3.48Å; Y79-S81 WeakPolarHBondContact CB-O 3.22Å; Y79-S81 PolarHBondContact O-N 3.47Å; Y79-K83 HydrophobicContact CD1-CB 4.3Å; Y79-K83 HydrophobicContact CD1-CG 4.28Å; Y79-K83 HydrophobicContact CD2-CB 3.7Å; Y79-K83 HydrophobicContact CD2-CD 4.15Å; Y79-K83 HydrophobicContact CD2-CG 3.74Å; Y79-K83 HydrophobicContact CE1-CG 4.13Å; Y79-K83 HydrophobicContact CE2-CB 4.12Å; Y79-K83 HydrophobicContact CE2-CD 3.76Å; Y79-K83 HydrophobicContact CE2-CG 3.6Å; Y79-K83 HydrophobicContact CG-CB 3.85Å; Y79-K83 HydrophobicContact CG-CG 4.13Å; Y79-W98 HydrophobicContact CD1-CB 3.89Å; Y79-W98 AromaticContact CD1-CD1 3.59Å; Y79-W98 AromaticContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CE1-CB 3.77Å; Y79-W98 AromaticContact CE1-CD1 3.44Å; Y79-W98 VanDerWaalsContact CE1-CD1 3.44Å; Y79-W98 AromaticContact CE1-CG 3.64Å; Y79-W98 HydrophobicContact CE1-CG 3.64Å; Y79-I100 HydrophobicContact CD1-CG2 3.67Å; Y79-I100 HydrophobicContact CE1-CG2 3.67Å; Y79-I100 HydrophobicContact CG-CG2 4.17Å
80L94.5Very high96.1Very high80 Ų8061.3 Ų61.342%0.41934%0.343SS..SBendtrans-68.2-26.9177.4-62.5-175.1000111.1E50 D99 H101E50-L80 HydrophobicContact CB-CD1 4.35Å; E50-L80 HydrophobicContact CG-CD1 4.11Å; L80-D99 HydrophobicContact CB-CB 4.16Å; L80-D99 HydrophobicContact CD1-CB 3.92Å; L80-D99 HydrophobicContact CG-CB 4.3Å; L80-D99 PolarHBondContact N-O 3Å; L80-H101 HydrophobicContact CD2-CB 3.78Å
81S91.4Very high96Very high90 Ų9062.8 Ų62.863%0.62935%0.353SS*.SBendtrans-114.1-166.1168.7-68.30000110.5Y79Y79-S81 CarbonylContact C-O 3.48Å; Y79-S81 WeakPolarHBondContact CB-O 3.22Å; Y79-S81 PolarHBondContact O-N 3.47Å
82A90.6Very high95.9Very high82 Ų8267 Ų6768%0.67838%0.379SS*.  trans-58.3141.2171.900000111.2A84A82-A84 PolarHBondContact O-N 3.1Å
83K93.4Very high96Very high77 Ų7766.5 Ų66.534%0.33538%0.379SS..  trans-69.181.7165.8-173.9-175-178.6-163.50108.8T71 D73 Y79T71-K83 WeakPolarHBondContact O-CE 3.31Å; T71-K83 PolarHBondContact O-NZ 3.25Å; T71-K83 VanDerWaalsContact OG1-CE 3.31Å; T71-K83 WeakPolarHBondContact OG1-CE 3.25Å; D73-K83 IonicContact OD1-NZ 2.61Å; D73-K83 PolarHBondContact OD1-NZ 3.08Å; D73-K83 IonicContact OD2-NZ 3.9Å; Y79-K83 HydrophobicContact CD1-CB 4.3Å; Y79-K83 HydrophobicContact CD1-CG 4.28Å; Y79-K83 HydrophobicContact CD2-CB 3.7Å; Y79-K83 HydrophobicContact CD2-CD 4.15Å; Y79-K83 HydrophobicContact CD2-CG 3.74Å; Y79-K83 HydrophobicContact CE1-CG 4.13Å; Y79-K83 HydrophobicContact CE2-CB 4.12Å; Y79-K83 HydrophobicContact CE2-CD 3.76Å; Y79-K83 HydrophobicContact CE2-CG 3.6Å; Y79-K83 HydrophobicContact CG-CB 3.85Å; Y79-K83 HydrophobicContact CG-CG 4.13Å
84A93.5Very high96.1Very high28 Ų2863.5 Ų63.523%0.23136%0.36CS..  trans-69.8135.2-175.900000110.9A82 Y86 W98A82-A84 PolarHBondContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE1 4Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-Y86 VanDerWaalsContact CB-CZ 3.45Å; A84-Y86 WeakPolarHBondContact CB-OH 3.34Å; A84-W98 PolarHBondContact O-NE1 2.78Å
85T97.7Very high96.2Very high76 Ų7665.6 Ų65.647%0.46637%0.372SS..  trans-107.5125.7161.3-64.20000106.6K68 I69K68-T85 HydrophobicContact CD-CG2 4.24Å; K68-T85 VanDerWaalsContact CE-CG2 3.41Å; K68-T85 HydrophobicContact CG-CG2 3.79Å; I69-T85 WeakPolarHBondContact O-CA 3.34Å
86Y97.3Very high96.2Very high83 Ų8360.5 Ų60.533%0.32534%0.337SS..EExtended strand (participates in β ladder)trans-101.9143.9-179-55-85.5000109.5K68 I69 A84 F96 F97 W98K68-Y86 CarbonylContact C-O 3.47Å; K68-Y86 VanDerWaalsContact CA-O 3.29Å; K68-Y86 WeakPolarHBondContact CA-O 3.32Å; I69-Y86 PolarHBondContact N-O 3.43Å; I69-Y86 PolarHBondContact O-N 3.49Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE1 4Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-Y86 VanDerWaalsContact CB-CZ 3.45Å; A84-Y86 WeakPolarHBondContact CB-OH 3.34Å; Y86-F96 HydrophobicContact CD1-CD1 4.28Å; Y86-F96 HydrophobicContact CD2-CB 4.19Å; Y86-F96 AromaticContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CG 4.31Å; Y86-F96 HydrophobicContact CE2-CB 4.31Å; Y86-F96 HydrophobicContact CE2-CD1 4.38Å; Y86-F96 AromaticContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CE1 4.14Å; Y86-F97 PolarHBondContact OH-O 2.74Å; Y86-F97 VanDerWaalsContact OH-O 3.13Å; Y86-W98 HydrophobicContact CD2-CH2 4.34Å; Y86-W98 AromaticContact CD2-CZ2 3.74Å; Y86-W98 HydrophobicContact CD2-CZ2 3.74Å; Y86-W98 AromaticContact CE2-CE2 3.67Å; Y86-W98 HydrophobicContact CE2-CH2 4.23Å; Y86-W98 AromaticContact CE2-CZ2 3.51Å; Y86-W98 HydrophobicContact CE2-CZ2 3.51Å; Y86-W98 AromaticContact CE2-NE1 3.81Å
87T97.3Very high96.2Very high54 Ų5462.9 Ų62.933%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-121.8123.6163.7-58.20000106.5V66 V67 V115 I120V66-T87 HydrophobicContact CG1-CG2 3.73Å; V67-T87 WeakPolarHBondContact O-CA 3.49Å; T87-V115 HydrophobicContact CG2-CG2 4.22Å; T87-I120 HydrophobicContact CG2-CD1 4.22Å; T87-I120 HydrophobicContact CG2-CG1 4.02Å; T87-I120 HydrophobicContact CG2-CG2 4.32Å
88A97.4Very high96.2Very high19 Ų1962.7 Ų62.716%0.15734%0.343CS..EExtended strand (participates in β ladder)trans-144.2150.9-173.900000111.8V67 I90 F96V67-A88 PolarHBondContact N-O 3.4Å; V67-A88 PolarHBondContact O-N 3.1Å; A88-I90 HydrophobicContact CB-CD1 3.9Å; A88-F96 HydrophobicContact CB-CE1 4.1Å; A88-F96 HydrophobicContact CB-CZ 3.99Å
89C97Very high96.1Very high18 Ų1858.5 Ų58.512%0.12233%0.328CS..EExtended strand (participates in β ladder)trans-79.4119.8168.7-167.90000109.4M65 H94 I120 C121M65-C89 CarbonylContact O-C 3.59Å; C89-H94 PolarHBondContact O-CE1 3.47Å; C89-I120 HydrophobicContact CB-CG2 4.41Å; C89-C121 HydrophobicContact CB-CB 3.83Å; C89-C121 WeakPolarHBondContact CB-SG 3.47Å; C89-C121 VanDerWaalsContact SG-CA 3.54Å; C89-C121 WeakPolarHBondContact SG-CB 3.34Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.12Å
90I97Very high96.1Very high0 Ų056.4 Ų56.40%032%0.32CS..EExtended strand (participates in β ladder)trans-112.7106.4-178.1-44.3-60.6000108.6V57 N59 C64 M65 V67 A88 H94 F96V57-I90 HydrophobicContact CG1-CG2 4.37Å; N59-I90 HydrophobicContact CB-CG2 4.13Å; N59-I90 PolarHBondContact ND2-O 3.25Å; C64-I90 WeakPolarHBondContact CA-O 3.45Å; M65-I90 PolarHBondContact N-O 3.41Å; M65-I90 PolarHBondContact O-N 3.46Å; V67-I90 HydrophobicContact CB-CG1 3.75Å; V67-I90 HydrophobicContact CG2-CB 4.05Å; V67-I90 HydrophobicContact CG2-CG1 3.5Å; A88-I90 HydrophobicContact CB-CD1 3.9Å; I90-H94 HydrophobicContact CD1-CB 3.83Å; I90-F96 HydrophobicContact CD1-CE2 4.21Å; I90-F96 HydrophobicContact CD1-CZ 3.84Å
91C95.9Very high96.2Very high44 Ų4455.4 Ų55.430%0.29731%0.313SS..SBendtrans-100-31.5174.7-560000111.8N59 C64N59-C91 PolarHBondContact ND2-O 3.12Å; C64-C91 HydrophobicContact CB-CB 4.1Å; C64-C91 WeakPolarHBondContact CB-SG 3.45Å; C64-C91 WeakPolarHBondContact SG-CB 3.44Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 3.44Å
92T96.2Very high96.5Very high94 Ų9451.1 Ų51.158%0.57728%0.283SS*.SBendtrans-134.4-101.6-179.256.20000111T58 N59T58-T92 CarbonylContact C-O 3.6Å; T58-T92 WeakPolarHBondContact CA-O 3.44Å; N59-T92 WeakPolarHBondContact CB-O 3.17Å; N59-T92 PolarHBondContact N-O 3.47Å
93I97.9Very high96.7Very high98 Ų9850.9 Ų50.950%0.50328%0.276SS..EExtended strand (participates in β ladder)trans-128.8127.2-175.8-56.7176.9000109.4T56 V57 T58T56-I93 HydrophobicContact CG2-CG2 3.54Å; V57-I93 WeakPolarHBondContact O-CA 3.43Å; T58-I93 HydrophobicContact CG2-CD1 4.25Å; T58-I93 HydrophobicContact CG2-CG1 3.85Å
94H98.3Very high96.8Very high68 Ų6848.9 Ų48.932%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-130.6147.2176.7-71.7-135.6000109.6V57 C89 I90 F96V57-H94 PolarHBondContact N-O 3.4Å; V57-H94 PolarHBondContact O-N 3.41Å; C89-H94 PolarHBondContact O-CE1 3.47Å; I90-H94 HydrophobicContact CD1-CB 3.83Å; H94-F96 HydrophobicContact CB-CE2 3.8Å; H94-F96 HydrophobicContact CB-CZ 3.98Å
95N98.3Very high97Very high80 Ų8052.2 Ų52.243%0.42829%0.288SS..EExtended strand (participates in β ladder)trans-113.2138.1177.2-63.1-45.1000110.1T54 L55 T56 F97T54-N95 HydrophobicContact CG2-CB 4.2Å; L55-N95 WeakPolarHBondContact O-CA 3.29Å; T56-N95 WeakPolarHBondContact CA-OD1 3.41Å; T56-N95 VanDerWaalsContact CB-OD1 3.32Å; T56-N95 WeakPolarHBondContact CB-OD1 3.23Å; T56-N95 WeakPolarHBondContact CG2-OD1 3.47Å; T56-N95 PolarHBondContact OG1-OD1 2.71Å; N95-F97 HydrophobicContact CB-CE1 4.27Å; N95-F97 HydrophobicContact CB-CE2 3.61Å; N95-F97 HydrophobicContact CB-CZ 3.41Å; N95-F97 VanDerWaalsContact CB-CZ 3.41Å
96F98.2Very high97Very high15 Ų1549.4 Ų49.47%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-123.6142.5177.3-57.5-88.1000109.1T54 L55 V57 I69 Y86 A88 I90 H94 W98T54-F96 CarbonylContact C-O 3.59Å; T54-F96 WeakPolarHBondContact CA-O 3.28Å; L55-F96 PolarHBondContact N-O 3.48Å; L55-F96 PolarHBondContact O-N 2.88Å; V57-F96 HydrophobicContact CB-CE2 4.23Å; V57-F96 HydrophobicContact CG2-CD2 3.98Å; V57-F96 HydrophobicContact CG2-CE2 3.88Å; I69-F96 HydrophobicContact CB-CD1 4.32Å; I69-F96 HydrophobicContact CB-CD2 4.34Å; I69-F96 HydrophobicContact CB-CE1 4.46Å; I69-F96 HydrophobicContact CB-CG 4.25Å; I69-F96 HydrophobicContact CD1-CE2 4.31Å; I69-F96 HydrophobicContact CG1-CD1 4.29Å; I69-F96 HydrophobicContact CG1-CD2 3.92Å; I69-F96 HydrophobicContact CG1-CE1 4Å; I69-F96 HydrophobicContact CG1-CE2 3.64Å; I69-F96 HydrophobicContact CG1-CG 4.25Å; I69-F96 HydrophobicContact CG1-CZ 3.68Å; I69-F96 HydrophobicContact CG2-CB 4.13Å; I69-F96 HydrophobicContact CG2-CD1 4.4Å; I69-F96 HydrophobicContact CG2-CD2 3.93Å; I69-F96 HydrophobicContact CG2-CG 3.87Å; Y86-F96 HydrophobicContact CD1-CD1 4.28Å; Y86-F96 HydrophobicContact CD2-CB 4.19Å; Y86-F96 AromaticContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CG 4.31Å; Y86-F96 HydrophobicContact CE2-CB 4.31Å; Y86-F96 HydrophobicContact CE2-CD1 4.38Å; Y86-F96 AromaticContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CE1 4.14Å; A88-F96 HydrophobicContact CB-CE1 4.1Å; A88-F96 HydrophobicContact CB-CZ 3.99Å; I90-F96 HydrophobicContact CD1-CE2 4.21Å; I90-F96 HydrophobicContact CD1-CZ 3.84Å; H94-F96 HydrophobicContact CB-CE2 3.8Å; H94-F96 HydrophobicContact CB-CZ 3.98Å; F96-W98 HydrophobicContact CB-CH2 3.75Å; F96-W98 HydrophobicContact CB-CZ3 3.96Å
97F96.9Very high97Very high104 Ų10448.6 Ų48.646%0.45627%0.274SS..EExtended strand (participates in β ladder)trans-131.2143.8-167-54.6-88.5000112.2V53 T54 Y86 N95V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.38Å; T54-F97 HydrophobicContact CG2-CD1 3.95Å; T54-F97 HydrophobicContact CG2-CE1 3.44Å; T54-F97 VanDerWaalsContact CG2-CE1 3.44Å; T54-F97 HydrophobicContact CG2-CZ 4.1Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.4Å; T54-F97 VanDerWaalsContact OG1-CE1 3.27Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.49Å; Y86-F97 PolarHBondContact OH-O 2.74Å; Y86-F97 VanDerWaalsContact OH-O 3.13Å; N95-F97 HydrophobicContact CB-CE1 4.27Å; N95-F97 HydrophobicContact CB-CE2 3.61Å; N95-F97 HydrophobicContact CB-CZ 3.41Å; N95-F97 VanDerWaalsContact CB-CZ 3.41Å
98W97.6Very high97Very high10 Ų1046 Ų464%0.03826%0.259CS..EExtended strand (participates in β ladder)trans-141.5141.2167.9-58.6-96.3000109V53 L55 I69 T71 Y79 A84 Y86 F96 I100V53-W98 HydrophobicContact CB-CB 4.42Å; V53-W98 HydrophobicContact CB-CE3 4.34Å; V53-W98 WeakPolarHBondContact CB-O 3.28Å; V53-W98 HydrophobicContact CG1-CE3 4.01Å; V53-W98 PolarHBondContact N-O 2.03Å; V53-W98 PolarHBondContact O-N 3.16Å; V53-W98 VanDerWaalsContact O-N 3.11Å; L55-W98 HydrophobicContact CB-CH2 4.28Å; L55-W98 HydrophobicContact CB-CZ3 3.76Å; L55-W98 HydrophobicContact CD2-CH2 4.25Å; L55-W98 HydrophobicContact CD2-CZ3 4.45Å; I69-W98 HydrophobicContact CG2-CH2 3.83Å; I69-W98 HydrophobicContact CG2-CZ2 4.42Å; T71-W98 HydrophobicContact CG2-CD2 4.18Å; T71-W98 HydrophobicContact CG2-CE3 4.22Å; T71-W98 HydrophobicContact CG2-CH2 4.17Å; T71-W98 HydrophobicContact CG2-CZ2 4.1Å; T71-W98 HydrophobicContact CG2-CZ3 4.23Å; Y79-W98 HydrophobicContact CD1-CB 3.89Å; Y79-W98 AromaticContact CD1-CD1 3.59Å; Y79-W98 AromaticContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CE1-CB 3.77Å; Y79-W98 AromaticContact CE1-CD1 3.44Å; Y79-W98 VanDerWaalsContact CE1-CD1 3.44Å; Y79-W98 AromaticContact CE1-CG 3.64Å; Y79-W98 HydrophobicContact CE1-CG 3.64Å; A84-W98 PolarHBondContact O-NE1 2.78Å; Y86-W98 HydrophobicContact CD2-CH2 4.34Å; Y86-W98 AromaticContact CD2-CZ2 3.74Å; Y86-W98 HydrophobicContact CD2-CZ2 3.74Å; Y86-W98 AromaticContact CE2-CE2 3.67Å; Y86-W98 HydrophobicContact CE2-CH2 4.23Å; Y86-W98 AromaticContact CE2-CZ2 3.51Å; Y86-W98 HydrophobicContact CE2-CZ2 3.51Å; Y86-W98 AromaticContact CE2-NE1 3.81Å; F96-W98 HydrophobicContact CB-CH2 3.75Å; F96-W98 HydrophobicContact CB-CZ3 3.96Å; W98-I100 HydrophobicContact CB-CG2 4.29Å
99D95.9Very high97Very high64 Ų6447.6 Ų47.634%0.34226%0.263SS..EExtended strand (participates in β ladder)trans-99.1131164.2-61.7-39.2000109.1I45 F51 T52 L80I45-D99 HydrophobicContact CD1-CB 4.14Å; F51-D99 WeakPolarHBondContact O-CA 3.48Å; T52-D99 WeakPolarHBondContact CB-OD1 3.23Å; T52-D99 PolarHBondContact OG1-OD1 2.83Å; L80-D99 HydrophobicContact CB-CB 4.16Å; L80-D99 HydrophobicContact CD1-CB 3.92Å; L80-D99 HydrophobicContact CG-CB 4.3Å; L80-D99 PolarHBondContact N-O 3Å
100I96.8Very high97.1Very high0 Ų046.7 Ų46.70%026%0.257CS..EExtended strand (participates in β ladder)trans-131.8149.3-173.962.5172.4000111.7E50 F51 V53 I77 K78 Y79 W98 V102 L108 I141E50-I100 CarbonylContact C-O 3.56Å; E50-I100 VanDerWaalsContact CA-O 3.3Å; E50-I100 WeakPolarHBondContact CA-O 3.49Å; F51-I100 HydrophobicContact CB-CD1 4.49Å; F51-I100 HydrophobicContact CB-CG1 4.01Å; F51-I100 PolarHBondContact N-O 2.8Å; F51-I100 WeakPolarHBondContact O-CG1 3.38Å; F51-I100 PolarHBondContact O-N 2.83Å; V53-I100 HydrophobicContact CG2-CD1 3.55Å; V53-I100 HydrophobicContact CG2-CG1 3.88Å; V53-I100 HydrophobicContact CG2-CG2 4.47Å; I77-I100 HydrophobicContact CD1-CD1 4.48Å; I77-I100 HydrophobicContact CG2-CB 3.81Å; I77-I100 HydrophobicContact CG2-CD1 3.89Å; I77-I100 HydrophobicContact CG2-CG1 4.42Å; I77-I100 HydrophobicContact CG2-CG2 3.8Å; K78-I100 CarbonylContact O-C 3.6Å; K78-I100 VanDerWaalsContact O-CA 3.26Å; K78-I100 WeakPolarHBondContact O-CA 3.11Å; Y79-I100 HydrophobicContact CD1-CG2 3.67Å; Y79-I100 HydrophobicContact CE1-CG2 3.67Å; Y79-I100 HydrophobicContact CG-CG2 4.17Å; W98-I100 HydrophobicContact CB-CG2 4.29Å; I100-V102 HydrophobicContact CD1-CG2 3.84Å; I100-V102 HydrophobicContact CG1-CG2 4.17Å; I100-L108 HydrophobicContact CD1-CD2 4.31Å; I100-I141 HydrophobicContact CD1-CD1 3.67Å
101H95.9Very high97.1Very high60 Ų6049.7 Ų49.728%0.27827%0.27SS..EExtended strand (participates in β ladder)trans-105.5134.5164177.185.2000109.4A48 N49 K78 L80A48-H101 PolarHBondContact O-ND1 2.98Å; N49-H101 WeakPolarHBondContact O-CA 3.02Å; K78-H101 PolarHBondContact N-O 2.04Å; K78-H101 PolarHBondContact O-N 2.89Å; L80-H101 HydrophobicContact CD2-CB 3.78Å
102V96.8Very high97.2Very high0 Ų047.6 Ų47.60%026%0.256CS..EExtended strand (participates in β ladder)trans-118.1124.4-176.1-176.60000110.4N49 F51 N76 I77 I100 A104 T106 I141 V143N49-V102 VanDerWaalsContact CB-O 3.26Å; N49-V102 WeakPolarHBondContact CB-O 3.46Å; N49-V102 PolarHBondContact O-N 3.45Å; F51-V102 HydrophobicContact CD2-CB 4.2Å; F51-V102 HydrophobicContact CD2-CG2 3.75Å; F51-V102 HydrophobicContact CE2-CB 3.98Å; F51-V102 HydrophobicContact CE2-CG2 4.01Å; N76-V102 CarbonylContact O-C 3.59Å; N76-V102 VanDerWaalsContact O-CA 3.32Å; N76-V102 WeakPolarHBondContact O-CA 2.97Å; I77-V102 HydrophobicContact CG1-CG2 4.35Å; I100-V102 HydrophobicContact CD1-CG2 3.84Å; I100-V102 HydrophobicContact CG1-CG2 4.17Å; V102-A104 WeakPolarHBondContact CG1-O 3.42Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; V102-I141 HydrophobicContact CB-CG2 4.47Å; V102-I141 HydrophobicContact CG1-CG2 4.33Å; V102-I141 HydrophobicContact CG2-CD1 4.14Å; V102-I141 HydrophobicContact CG2-CG2 4.13Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.63Å; V102-V143 WeakPolarHBondContact O-CG1 3.33Å
103S95.6Very high97.2Very high76 Ų7645.9 Ų45.953%0.53124%0.241SC..SBendtrans-90-19.9-175.359.20000114.5N76N76-S103 WeakPolarHBondContact CA-OG 3.37Å; N76-S103 PolarHBondContact O-N 2.99Å; N76-S103 PolarHBondContact O-OG 2.86Å
104A95.9Very high97.1Very high36 Ų3641.3 Ų41.330%0.29822%0.218SC..SBendtrans-156.9159.8-178.700000110.6N76 V102 T106N76-A104 HydrophobicContact CB-CB 4.49Å; V102-A104 WeakPolarHBondContact CG1-O 3.42Å; A104-T106 WeakPolarHBondContact O-CB 3.08Å; A104-T106 PolarHBondContact O-N 3.04Å
105N96.8Very high97Very high97 Ų9738.8 Ų38.852%0.51921%0.207SC..SBendtrans-51126.6173.8-68.9-17.6000109.9I141 L142 V143N105-I141 WeakPolarHBondContact CA-O 3.43Å; N105-L142 HydrophobicContact CB-CD2 4.26Å; N105-L142 WeakPolarHBondContact OD1-CA 3.4Å; N105-V143 WeakPolarHBondContact OD1-CG2 3.42Å; N105-V143 PolarHBondContact OD1-N 3.19Å; N105-V143 PolarHBondContact OD1-O 3.25Å
106T97.4Very high96.7Very high18 Ų1838.9 Ų38.911%0.1121%0.212CC..EExtended strand (participates in β ladder)trans-154.3-178.5-169.6-160.60000111.8N74 N76 I77 V102 A104 I141N74-T106 VanDerWaalsContact CG-OG1 3.27Å; N74-T106 PolarHBondContact ND2-OG1 2.95Å; N74-T106 PolarHBondContact OD1-OG1 3.03Å; N76-T106 HydrophobicContact CB-CG2 4.29Å; I77-T106 HydrophobicContact CD1-CG2 3.94Å; I77-T106 HydrophobicContact CG1-CG2 3.85Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; A104-T106 WeakPolarHBondContact O-CB 3.08Å; A104-T106 PolarHBondContact O-N 3.04Å; T106-I141 HydrophobicContact CG2-CB 4.41Å; T106-I141 PolarHBondContact N-O 2.99Å; T106-I141 PolarHBondContact O-N 3.45Å
107V97.7Very high96.3Very high65 Ų6541.8 Ų41.839%0.39423%0.228SC..EExtended strand (participates in β ladder)trans-123.2127.3174.4-177.80000108.7N74 T138 S139 K140N74-V107 PolarHBondContact ND2-O 3.39Å; V107-T138 HydrophobicContact CG1-CG2 4.03Å; V107-S139 WeakPolarHBondContact CA-O 3.05Å; V107-K140 HydrophobicContact CG2-CG 4.2Å
108L97.5Very high95.9Very high1 Ų145.1 Ų45.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-93.8133.2167.5178.465.7000108.9L40 V42 V53 T71 I77 I100 T138 S139 I141L40-L108 HydrophobicContact CD1-CD2 4.36Å; L40-L108 HydrophobicContact CD2-CB 4.46Å; L40-L108 HydrophobicContact CD2-CD2 4.2Å; L40-L108 HydrophobicContact CD2-CG 4.13Å; V42-L108 HydrophobicContact CG2-CD2 4.37Å; V53-L108 HydrophobicContact CB-CD2 4.14Å; V53-L108 HydrophobicContact CG1-CD2 3.52Å; V53-L108 HydrophobicContact CG2-CD2 3.46Å; V53-L108 VanDerWaalsContact CG2-CD2 3.46Å; T71-L108 HydrophobicContact CG2-CD1 4.11Å; I77-L108 HydrophobicContact CD1-CB 4.03Å; I77-L108 HydrophobicContact CD1-CD1 3.78Å; I77-L108 HydrophobicContact CD1-CG 4.48Å; I100-L108 HydrophobicContact CD1-CD2 4.31Å; L108-T138 CarbonylContact O-C 3.59Å; L108-T138 VanDerWaalsContact O-CA 3.25Å; L108-T138 WeakPolarHBondContact O-CA 3.42Å; L108-S139 PolarHBondContact N-O 2.97Å; L108-S139 PolarHBondContact O-N 2.66Å; L108-I141 HydrophobicContact CB-CD1 3.91Å; L108-I141 HydrophobicContact CB-CG1 4.49Å; L108-I141 HydrophobicContact CD2-CD1 4.43Å
109Q98.2Very high95.6Very high51 Ų5151.9 Ų51.924%0.23828%0.28CS..EExtended strand (participates in β ladder)trans-114.3123.8172.1-171.6-175.5109.400109.7T71 E72 V137 T138T71-Q109 CarbonylContact C-O 3.51Å; T71-Q109 VanDerWaalsContact CA-O 3.25Å; T71-Q109 WeakPolarHBondContact CA-O 3.25Å; E72-Q109 HydrophobicContact CB-CB 3.91Å; E72-Q109 PolarHBondContact N-O 3.05Å; E72-Q109 PolarHBondContact OE2-NE2 2.64Å; E72-Q109 PolarHBondContact OE2-OE1 3.46Å; E72-Q109 VanDerWaalsContact OE2-OE1 3.14Å; Q109-V137 CarbonylContact C-O 3.56Å; Q109-V137 WeakPolarHBondContact CA-O 3.44Å; Q109-T138 HydrophobicContact CB-CG2 3.95Å; Q109-T138 HydrophobicContact CG-CG2 3.8Å
110G97.9Very high95.5Very high0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-95.3142.5167.600000110.3T136 V137G110-T136 CarbonylContact O-C 3.37Å; G110-T136 VanDerWaalsContact O-CA 3.28Å; G110-T136 WeakPolarHBondContact O-CA 3.1Å; G110-V137 PolarHBondContact N-O 3.31Å; G110-V137 PolarHBondContact O-N 2.86Å
111K97.5Very high95.4Very high63 Ų6352.9 Ų52.927%0.27429%0.285SS..EExtended strand (participates in β ladder)trans-129.7133.9-179.1-177.117868.1154.90110.5I69 S70 E113 V134 E135 T136I69-K111 WeakPolarHBondContact CA-O 3.46Å; S70-K111 PolarHBondContact N-O 3.44Å; S70-K111 PolarHBondContact O-N 3.19Å; S70-K111 VanDerWaalsContact OG-CE 3.23Å; S70-K111 WeakPolarHBondContact OG-CE 3.48Å; K111-E113 IonicContact NZ-OE2 2.95Å; K111-E113 PolarHBondContact NZ-OE2 3.05Å; K111-E113 VanDerWaalsContact NZ-OE2 3.16Å; K111-V134 HydrophobicContact CD-CG1 3.91Å; K111-V134 HydrophobicContact CG-CG1 3.81Å; K111-E135 WeakPolarHBondContact CA-O 3.5Å; K111-T136 HydrophobicContact CB-CG2 4.25Å; K111-T136 HydrophobicContact CG-CG2 4.07Å
112A97.6Very high95.2Very high0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-119.7118.617000000109.3L36 L38 V57 V67 I69 V134 E135L36-A112 HydrophobicContact CD1-CB 3.95Å; L38-A112 HydrophobicContact CD1-CB 3.94Å; L38-A112 HydrophobicContact CD2-CB 3.8Å; L38-A112 HydrophobicContact CG-CB 4.15Å; V57-A112 HydrophobicContact CG1-CB 4.43Å; V57-A112 HydrophobicContact CG2-CB 4.45Å; V67-A112 HydrophobicContact CG1-CB 3.84Å; I69-A112 HydrophobicContact CD1-CB 3.58Å; A112-V134 WeakPolarHBondContact O-CA 3.29Å; A112-E135 PolarHBondContact N-O 2.85Å; A112-E135 PolarHBondContact O-N 2.71Å
113E96.8Very high94.9Very high57 Ų5761.8 Ų61.827%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-120.2120.6-176.9174.3172-179.200109.5V67 K68 K111 V115 Y133 V134V67-E113 CarbonylContact C-O 3.58Å; V67-E113 WeakPolarHBondContact CA-O 3.4Å; V67-E113 WeakPolarHBondContact CG1-O 3.32Å; K68-E113 HydrophobicContact CB-CB 4.48Å; K68-E113 PolarHBondContact N-O 3.4Å; K68-E113 PolarHBondContact O-N 2.91Å; K111-E113 IonicContact NZ-OE2 2.95Å; K111-E113 PolarHBondContact NZ-OE2 3.05Å; K111-E113 VanDerWaalsContact NZ-OE2 3.16Å; E113-V115 HydrophobicContact CG-CG1 3.93Å; E113-V115 PolarHBondContact O-N 3.08Å; E113-Y133 CarbonylContact C-O 3Å; E113-Y133 WeakPolarHBondContact CA-O 3.16Å; E113-V134 HydrophobicContact CB-CG2 4.12Å; E113-V134 HydrophobicContact CG-CG2 3.87Å
114V96.1Very high94.5Very high2 Ų262.3 Ų62.31%0.01236%0.357CS..EExtended strand (participates in β ladder)trans-75.1121174.9-172.50000108.4L36 M65 V66 V67 V130 T131 S132 Y133L36-V114 HydrophobicContact CD1-CG2 4.02Å; M65-V114 HydrophobicContact CB-CG1 4.05Å; M65-V114 HydrophobicContact CB-CG2 4.45Å; M65-V114 HydrophobicContact CG-CG1 4.02Å; M65-V114 HydrophobicContact CG-CG2 4.42Å; M65-V114 HydrophobicContact SD-CG1 4.25Å; M65-V114 HydrophobicContact SD-CG2 3.71Å; V66-V114 CarbonylContact O-C 3.57Å; V66-V114 WeakPolarHBondContact O-CA 3.44Å; V67-V114 HydrophobicContact CG2-CG2 4.39Å; V114-V130 WeakPolarHBondContact CG1-O 3.49Å; V114-T131 CarbonylContact O-C 3.47Å; V114-T131 VanDerWaalsContact O-O 3.08Å; V114-S132 PolarHBondContact O-N 2.95Å; V114-Y133 HydrophobicContact CG2-CD1 4.08Å; V114-Y133 HydrophobicContact CG2-CG 4.47Å; V114-Y133 PolarHBondContact N-O 2.83Å
115V95.1Very high94.1Very high15 Ų1564.9 Ų64.99%0.09136%0.363CS..  trans-118.7155-173.3-65.30000111.2V66 K68 T87 E113 D117V66-V115 HydrophobicContact CB-CG2 4.35Å; V66-V115 HydrophobicContact CG1-CG2 3.77Å; V66-V115 PolarHBondContact O-N 2.84Å; K68-V115 HydrophobicContact CB-CG1 3.81Å; K68-V115 HydrophobicContact CB-CG2 4.31Å; K68-V115 HydrophobicContact CD-CG1 4.46Å; T87-V115 HydrophobicContact CG2-CG2 4.22Å; E113-V115 HydrophobicContact CG-CG1 3.93Å; E113-V115 PolarHBondContact O-N 3.08Å; V115-D117 HydrophobicContact CG2-CB 4.04Å; V115-D117 PolarHBondContact O-N 3.38Å
116P92.6Very high93.6Very high82 Ų8264.7 Ų64.753%0.53236%0.362SS..  trans-82.212.7179.134.1-35.6000114.1K118 T131P116-K118 PolarHBondContact O-N 3.3Å; P116-T131 HydrophobicContact CB-CG2 3.69Å
117D90.3Very high93.3Very high77 Ų7767.1 Ų67.141%0.41237%0.374SS..  trans-58.3131.9-174.6-69.8-0.2000110.6V66 V115 I120V66-D117 HydrophobicContact CG1-CB 4.06Å; V115-D117 HydrophobicContact CG2-CB 4.04Å; V115-D117 PolarHBondContact O-N 3.38Å; D117-I120 HydrophobicContact CB-CG1 4Å
118K88.9Confident92.9Very high173 Ų17366 Ų6675%0.75236%0.364SS*.SBendtrans-90.3162.8-179.2-61.6-178.4-178.2179.30110.7P116 I120P116-K118 PolarHBondContact O-N 3.3Å; K118-I120 PolarHBondContact O-N 3.42Å; K118-I120 VanDerWaalsContact O-N 3.08Å
119D90.4Very high92.3Very high153 Ų15370.7 Ų70.782%0.81839%0.394SS*.SBendtrans61.716.9173.3-44.3-42.7000114.7
120I94.7Very high91.4Very high66 Ų6671 Ų7134%0.33840%0.399SS..SBendtrans-89.8-39.1172.9-56.4-59.4000111.5V66 T87 C89 D117 K118V66-I120 HydrophobicContact CG1-CB 3.73Å; V66-I120 HydrophobicContact CG1-CG1 3.78Å; V66-I120 HydrophobicContact CG1-CG2 3.83Å; V66-I120 HydrophobicContact CG2-CB 4.11Å; T87-I120 HydrophobicContact CG2-CD1 4.22Å; T87-I120 HydrophobicContact CG2-CG1 4.02Å; T87-I120 HydrophobicContact CG2-CG2 4.32Å; C89-I120 HydrophobicContact CB-CG2 4.41Å; D117-I120 HydrophobicContact CB-CG1 4Å; K118-I120 PolarHBondContact O-N 3.42Å; K118-I120 VanDerWaalsContact O-N 3.08Å
121C94Very high90.5Very high18 Ų1874.4 Ų74.412%0.12242%0.42CS..SBendtrans-86.8148.1173.9-68.40000110.4V66 C89 E125 I127V66-C121 VanDerWaalsContact CG2-SG 3.58Å; C89-C121 HydrophobicContact CB-CB 3.83Å; C89-C121 WeakPolarHBondContact CB-SG 3.47Å; C89-C121 VanDerWaalsContact SG-CA 3.54Å; C89-C121 WeakPolarHBondContact SG-CB 3.34Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.12Å; C121-E125 HydrophobicContact CB-CB 4.37Å; C121-I127 HydrophobicContact CB-CD1 3.58Å; C121-I127 WeakPolarHBondContact SG-CD1 3.4Å
122P92.5Very high89.9Confident85 Ų8575.9 Ų75.955%0.55244%0.439SS*.PPolyproline II helixtrans-55.2150.2170.7-23.733.3000112.7E125P122-E125 HydrophobicContact CB-CG 4.24Å; P122-E125 HydrophobicContact CG-CG 4.47Å; P122-E125 WeakPolarHBondContact O-CB 3.29Å; P122-E125 WeakPolarHBondContact O-CG 3.33Å; P122-E125 PolarHBondContact O-N 2.88Å
123D89.4Confident89.6Confident163 Ų16378 Ų7887%0.87245%0.447SS*.THydrogen-bonded Turntrans-58.5139175.2-69.9-34000111.5E125D123-E125 VanDerWaalsContact C-N 3.35Å
124G87.4Confident89.6Confident87 Ų8778.6 Ų78.690%0.89745%0.454SS*.THydrogen-bonded Turntrans88.9-6.8178.900000115
125E87.1Confident89.5Confident89 Ų8981 Ų8142%0.41647%0.465SS..  trans-67.1137.9173.9-70.8-62.6167.800112.1C64 C121 P122 D123 I127C64-E125 PolarHBondContact SG-OE2 3.37Å; C121-E125 HydrophobicContact CB-CB 4.37Å; P122-E125 HydrophobicContact CB-CG 4.24Å; P122-E125 HydrophobicContact CG-CG 4.47Å; P122-E125 WeakPolarHBondContact O-CB 3.29Å; P122-E125 WeakPolarHBondContact O-CG 3.33Å; P122-E125 PolarHBondContact O-N 2.88Å; D123-E125 VanDerWaalsContact C-N 3.35Å; E125-I127 HydrophobicContact CB-CD1 3.78Å; E125-I127 PolarHBondContact O-N 3.43Å
126N87.2Confident89.6Confident94 Ų9483.2 Ų83.250%0.50348%0.479SS..  trans-81.499.5175-1700.9000109.1K63 C64K63-N126 WeakPolarHBondContact CA-O 3.43Å; K63-N126 VanDerWaalsContact CB-O 3.29Å; K63-N126 WeakPolarHBondContact CB-O 3.3Å; K63-N126 WeakPolarHBondContact CE-ND2 3.34Å; K63-N126 HydrophobicContact CG-CB 4.46Å; C64-N126 PolarHBondContact N-O 3.31Å; C64-N126 VanDerWaalsContact N-O 3.14Å
127I90.9Very high89.9Confident69 Ų6980.8 Ų80.835%0.35446%0.463SS..BIsolated β-bridgetrans-81.9134.6-176.6-50.7-51.8000110.8C64 C121 E125C64-I127 HydrophobicContact CB-CD1 4.14Å; C64-I127 CarbonylContact O-C 3.59Å; C64-I127 WeakPolarHBondContact O-CA 3.34Å; C121-I127 HydrophobicContact CB-CD1 3.58Å; C121-I127 WeakPolarHBondContact SG-CD1 3.4Å; E125-I127 HydrophobicContact CB-CD1 3.78Å; E125-I127 PolarHBondContact O-N 3.43Å
128F88.3Confident90.2Very high42 Ų4281.2 Ų81.218%0.18447%0.468CS..  trans-65.8131173.4-165.7-101.9000109.9L35 V61 K63 C64 M65 V130L35-F128 HydrophobicContact CD1-CD1 4.15Å; L35-F128 HydrophobicContact CD1-CE1 3.47Å; L35-F128 VanDerWaalsContact CD1-CE1 3.47Å; L35-F128 HydrophobicContact CD1-CZ 4.15Å; L35-F128 HydrophobicContact CD2-CE1 3.91Å; L35-F128 HydrophobicContact CD2-CE2 4.48Å; L35-F128 HydrophobicContact CD2-CZ 3.71Å; L35-F128 HydrophobicContact CG-CE1 4.35Å; V61-F128 HydrophobicContact CG1-CE2 4.4Å; V61-F128 HydrophobicContact CG2-CD2 3.97Å; V61-F128 HydrophobicContact CG2-CE2 4.33Å; V61-F128 HydrophobicContact CG2-CG 4.37Å; K63-F128 HydrophobicContact CB-CB 3.94Å; K63-F128 HydrophobicContact CB-CD2 4.13Å; K63-F128 HydrophobicContact CD-CD2 4.22Å; C64-F128 PolarHBondContact O-N 3.02Å; M65-F128 HydrophobicContact CG-CB 3.53Å; M65-F128 HydrophobicContact CG-CD1 4.3Å; M65-F128 HydrophobicContact CG-CG 4.2Å; M65-F128 HydrophobicContact SD-CB 4.33Å; M65-F128 HydrophobicContact SD-CD1 4.13Å; M65-F128 HydrophobicContact SD-CG 4.39Å; F128-V130 VanDerWaalsContact C-N 3.3Å; F128-V130 HydrophobicContact CD1-CB 3.74Å; F128-V130 HydrophobicContact CD1-CG2 3.97Å; F128-V130 HydrophobicContact CE1-CB 3.52Å; F128-V130 HydrophobicContact CE1-CG2 3.32Å; F128-V130 HydrophobicContact CZ-CG2 4.13Å; F128-V130 PolarHBondContact O-N 3.14Å
129P85.8Confident90.7Very high99 Ų9974.3 Ų74.364%0.64344%0.441SS*.SBendtrans-77.2-8.4-166.729.8-36.8000115.1
130V79.7Confident91Very high57 Ų5775.1 Ų75.135%0.34544%0.438SS..  trans-83.9132.2-177.8176.10000110.1V114 F128V114-V130 WeakPolarHBondContact CG1-O 3.49Å; F128-V130 VanDerWaalsContact C-N 3.3Å; F128-V130 HydrophobicContact CD1-CB 3.74Å; F128-V130 HydrophobicContact CD1-CG2 3.97Å; F128-V130 HydrophobicContact CE1-CB 3.52Å; F128-V130 HydrophobicContact CE1-CG2 3.32Å; F128-V130 HydrophobicContact CZ-CG2 4.13Å; F128-V130 PolarHBondContact O-N 3.14Å
131T78.5Confident91Very high71 Ų7172.1 Ų72.144%0.43642%0.422SS..  trans-128.725.1-169.963.10000113.4V114 P116V114-T131 CarbonylContact O-C 3.47Å; V114-T131 VanDerWaalsContact O-O 3.08Å; P116-T131 HydrophobicContact CB-CG2 3.69Å
132S83.9Confident91Very high95 Ų9577.2 Ų77.266%0.66445%0.448SS*.  trans-149.817.6-179.369.70000113.3V114V114-S132 PolarHBondContact O-N 2.95Å
133Y93.2Very high91Very high44 Ų4474.5 Ų74.517%0.17343%0.429CS..  trans-78.7132.1177.4178.8-90000109.2T34 L35 L36 E113 V114 E135T34-Y133 VanDerWaalsContact CA-OH 3.29Å; T34-Y133 WeakPolarHBondContact CA-OH 3.4Å; T34-Y133 VanDerWaalsContact CB-OH 3.32Å; T34-Y133 WeakPolarHBondContact CB-OH 3.03Å; T34-Y133 WeakPolarHBondContact CG2-OH 3.47Å; L35-Y133 HydrophobicContact CB-CD1 4.13Å; L35-Y133 HydrophobicContact CB-CD2 4.42Å; L35-Y133 HydrophobicContact CB-CE1 4.01Å; L35-Y133 HydrophobicContact CB-CE2 4.28Å; L35-Y133 HydrophobicContact CB-CG 4.35Å; L35-Y133 HydrophobicContact CD1-CD1 4.28Å; L35-Y133 HydrophobicContact CD1-CD2 3.75Å; L35-Y133 HydrophobicContact CD1-CE2 4.32Å; L35-Y133 HydrophobicContact CD1-CG 3.73Å; L35-Y133 HydrophobicContact CG-CD2 4.02Å; L35-Y133 HydrophobicContact CG-CE2 4.08Å; L35-Y133 HydrophobicContact CG-CG 4.27Å; L35-Y133 PolarHBondContact N-OH 2.82Å; L36-Y133 HydrophobicContact CB-CE1 4.19Å; L36-Y133 HydrophobicContact CD1-CD1 4.33Å; L36-Y133 HydrophobicContact CD1-CE1 4.37Å; L36-Y133 HydrophobicContact CG-CD1 4.47Å; L36-Y133 HydrophobicContact CG-CE1 4.24Å; E113-Y133 CarbonylContact C-O 3Å; E113-Y133 WeakPolarHBondContact CA-O 3.16Å; V114-Y133 HydrophobicContact CG2-CD1 4.08Å; V114-Y133 HydrophobicContact CG2-CG 4.47Å; V114-Y133 PolarHBondContact N-O 2.83Å; Y133-E135 HydrophobicContact CE1-CB 3.92Å; Y133-E135 PolarHBondContact OH-OE2 3.36Å
134V95.3Very high90.6Very high69 Ų6974.1 Ų74.142%0.41842%0.424SS..EExtended strand (participates in β ladder)trans-127.5133.2179.2-178.30000109K111 A112 E113 T136K111-V134 HydrophobicContact CD-CG1 3.91Å; K111-V134 HydrophobicContact CG-CG1 3.81Å; A112-V134 WeakPolarHBondContact O-CA 3.29Å; E113-V134 HydrophobicContact CB-CG2 4.12Å; E113-V134 HydrophobicContact CG-CG2 3.87Å; V134-T136 HydrophobicContact CG1-CG2 4.34Å
135E95.5Very high89.7Confident52 Ų5279.7 Ų79.724%0.24344%0.444CS..EExtended strand (participates in β ladder)trans-124145.5170.6-163.858.3-115.500109.6L38 K111 A112 Y133L38-E135 HydrophobicContact CD1-CB 3.74Å; L38-E135 HydrophobicContact CD1-CG 3.65Å; L38-E135 HydrophobicContact CD2-CB 3.97Å; L38-E135 HydrophobicContact CD2-CG 4.02Å; L38-E135 WeakPolarHBondContact CD2-O 2.89Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; K111-E135 WeakPolarHBondContact CA-O 3.5Å; A112-E135 PolarHBondContact N-O 2.85Å; A112-E135 PolarHBondContact O-N 2.71Å; Y133-E135 HydrophobicContact CE1-CB 3.92Å; Y133-E135 PolarHBondContact OH-OE2 3.36Å
136T97.2Very high89.8Confident63 Ų6379.2 Ų79.239%0.38745%0.446SS..EExtended strand (participates in β ladder)trans-133.3150.6178.962.60000110.9G110 K111 V134G110-T136 CarbonylContact O-C 3.37Å; G110-T136 VanDerWaalsContact O-CA 3.28Å; G110-T136 WeakPolarHBondContact O-CA 3.1Å; K111-T136 HydrophobicContact CB-CG2 4.25Å; K111-T136 HydrophobicContact CG-CG2 4.07Å; V134-T136 HydrophobicContact CG1-CG2 4.34Å
137V97.7Very high90Very high31 Ų3178.4 Ų78.419%0.18844%0.443CS..EExtended strand (participates in β ladder)trans-138.6143.9174.261.10000108.5L38 L40 L55 Q109 G110L38-V137 HydrophobicContact CB-CB 3.9Å; L38-V137 HydrophobicContact CB-CG1 3.68Å; L38-V137 HydrophobicContact CD2-CG1 4.09Å; L38-V137 HydrophobicContact CG-CG1 4.45Å; L40-V137 HydrophobicContact CB-CB 4.42Å; L40-V137 HydrophobicContact CB-CG1 3.6Å; L40-V137 HydrophobicContact CB-CG2 3.96Å; L40-V137 HydrophobicContact CD2-CG1 4.32Å; L40-V137 HydrophobicContact CG-CG1 4.49Å; L55-V137 HydrophobicContact CD1-CG1 3.64Å; Q109-V137 CarbonylContact C-O 3.56Å; Q109-V137 WeakPolarHBondContact CA-O 3.44Å; G110-V137 PolarHBondContact N-O 3.31Å; G110-V137 PolarHBondContact O-N 2.86Å
138T97.7Very high89.9Confident85 Ų8578.9 Ų78.952%0.52145%0.448SS..EExtended strand (participates in β ladder)trans-119.7148.1178.857.60000111.1V107 L108 Q109V107-T138 HydrophobicContact CG1-CG2 4.03Å; L108-T138 CarbonylContact O-C 3.59Å; L108-T138 VanDerWaalsContact O-CA 3.25Å; L108-T138 WeakPolarHBondContact O-CA 3.42Å; Q109-T138 HydrophobicContact CB-CG2 3.95Å; Q109-T138 HydrophobicContact CG-CG2 3.8Å
139S97.7Very high90Very high28 Ų2881.1 Ų81.120%0.19646%0.463CS..EExtended strand (participates in β ladder)trans-135.5133.6171.5-170.10000109.7V107 L108V107-S139 WeakPolarHBondContact CA-O 3.05Å; L108-S139 PolarHBondContact N-O 2.97Å; L108-S139 PolarHBondContact O-N 2.66Å
140K97.4Very high90.3Very high171 Ų17180 Ų8074%0.74345%0.452SS*.EExtended strand (participates in β ladder)trans-80.8131.8175.8-69.5-178.5-179.6176.80108.7V107V107-K140 HydrophobicContact CG2-CG 4.2Å
141I95.8Very high91Very high3 Ų381.5 Ų81.52%0.01546%0.459CS..EExtended strand (participates in β ladder)trans-113.4122.6175.2-48.1-178.5000107.8V42 F51 I100 V102 N105 T106 L108V42-I141 HydrophobicContact CG1-CD1 3.87Å; V42-I141 HydrophobicContact CG1-CG1 4.01Å; V42-I141 HydrophobicContact CG1-CG2 4.48Å; V42-I141 HydrophobicContact CG2-CD1 4.29Å; V42-I141 HydrophobicContact CG2-CG1 4.32Å; F51-I141 HydrophobicContact CD1-CG2 4.11Å; F51-I141 HydrophobicContact CD2-CG2 3.94Å; F51-I141 HydrophobicContact CE1-CG2 3.78Å; F51-I141 HydrophobicContact CE2-CG2 3.61Å; F51-I141 HydrophobicContact CG-CG2 4.18Å; F51-I141 HydrophobicContact CZ-CG2 3.52Å; I100-I141 HydrophobicContact CD1-CD1 3.67Å; V102-I141 HydrophobicContact CB-CG2 4.47Å; V102-I141 HydrophobicContact CG1-CG2 4.33Å; V102-I141 HydrophobicContact CG2-CD1 4.14Å; V102-I141 HydrophobicContact CG2-CG2 4.13Å; N105-I141 WeakPolarHBondContact CA-O 3.43Å; T106-I141 HydrophobicContact CG2-CB 4.41Å; T106-I141 PolarHBondContact N-O 2.99Å; T106-I141 PolarHBondContact O-N 3.45Å; L108-I141 HydrophobicContact CB-CD1 3.91Å; L108-I141 HydrophobicContact CB-CG1 4.49Å; L108-I141 HydrophobicContact CD2-CD1 4.43Å
142L93.4Very high91.9Very high125 Ų12582.3 Ų82.365%0.65446%0.461SS*.  trans-106.3122.4176.9-58.4178.5000108.4N105N105-L142 HydrophobicContact CB-CD2 4.26Å; N105-L142 WeakPolarHBondContact OD1-CA 3.4Å
143V91.5Very high92.5Very high27 Ų2781.3 Ų81.316%0.16445%0.445CS..  trans-89.5140.1172.5-62.50000108.8N49 F51 V102 N105N49-V143 HydrophobicContact CB-CG1 4.06Å; N49-V143 WeakPolarHBondContact OD1-CB 3.1Å; F51-V143 HydrophobicContact CE2-CG1 4.42Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.63Å; V102-V143 WeakPolarHBondContact O-CG1 3.33Å; N105-V143 WeakPolarHBondContact OD1-CG2 3.42Å; N105-V143 PolarHBondContact OD1-N 3.19Å; N105-V143 PolarHBondContact OD1-O 3.25Å
144M81.3Confident92.4Very high156 Ų15684.4 Ų84.477%0.76847%0.468SS*.  trans-81.6141.5173.1-61.9-171.294.100108.9
145P68.9Low92.2Very high203 Ų20385.8 Ų85.8100%1.31847%0.473SS*.  trans-59.40174.3-18.529.9000113.4

Retrieved 145 of 145 residues in 335.6 ms (Link to these results)