A0A087YDK1_POEFO Loading...

nucleoside diphosphate phosphatase

Hydrolyzes nucleoside diphosphates with a preference for GDP, IDP and UDP compared to ADP and CDP. In the lumen of the endoplasmic reticulum, hydrolyzes UDP that acts as an end-product feedback inhibitor of the UDP-Glc:glycoprotein glucosyltransferases. UMP can be transported back by an UDP-sugar antiporter to the cytosol where it is consumed to regenerate UDP-glucose. Therefore, it positively regulates protein reglucosylation by clearing UDP from the ER lumen and by promoting the regeneration of UDP-glucose. Protein reglucosylation is essential to proper glycoprotein folding and quality control in the ER.

AlphaFold DB , UniProt , Accession A0A087YDK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 502 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.5Very low39Very low201 Ų201127 Ų12799%0.9965%0.65SS**  0-51.10-77.3-178.1-141.500113.3K3 Q4 T5M1-K3 PolarHBondContact O-N 3.39Å; M1-Q4 PolarHBondContact O-N 3.16Å; M1-Q4 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-N 3.41Å; M1-T5 PolarHBondContact O-OG1 3.47Å; M1-T5 VanDerWaalsContact O-OG1 3.1Å
2A41.3Very low38.6Very low86 Ų86126.6 Ų126.671%0.71165%0.649SS**Hα-helixtrans-58.1-35.4-176.700000116.2L6A2-L6 PolarHBondContact O-N 3.36Å
3K35.3Very low38.6Very low180 Ų180125.5 Ų125.578%0.78365%0.645SS**Hα-helixtrans-70-29.6176.8-81.3-175.4175.3-178.90113.9M1 I7M1-K3 PolarHBondContact O-N 3.39Å; K3-I7 WeakPolarHBondContact O-CD1 3.22Å; K3-I7 VanDerWaalsContact O-CG1 3.27Å; K3-I7 WeakPolarHBondContact O-CG1 3.37Å; K3-I7 PolarHBondContact O-N 3.12Å
4Q35.4Very low38.5Very low147 Ų147119.2 Ų119.269%0.68762%0.621SS**Hα-helixtrans-76.6-35179.5-101.1159.6-23.500111.8M1 I7 L8M1-Q4 PolarHBondContact O-N 3.16Å; M1-Q4 VanDerWaalsContact O-N 3.13Å; Q4-I7 PolarHBondContact O-N 3.13Å; Q4-L8 WeakPolarHBondContact O-CB 3.32Å; Q4-L8 PolarHBondContact O-N 2.82Å
5T40.4Very low38Very low96 Ų96113.4 Ų113.459%0.58960%0.601SS**Hα-helixtrans-68.9-33.8176.8-28.10000112.3M1 S9M1-T5 PolarHBondContact O-N 3.41Å; M1-T5 PolarHBondContact O-OG1 3.47Å; M1-T5 VanDerWaalsContact O-OG1 3.1Å; T5-S9 PolarHBondContact O-N 3.37Å; T5-S9 VanDerWaalsContact O-N 3.11Å; T5-S9 PolarHBondContact O-OG 3.48Å
6L38.2Very low38Very low114 Ų114110.1 Ų110.160%0.59759%0.59SS**Hα-helixtrans-70.5-38.8175.2-158.479.2000112A2 S9 L10A2-L6 PolarHBondContact O-N 3.36Å; L6-S9 WeakPolarHBondContact CA-OG 3.44Å; L6-S9 PolarHBondContact O-OG 2.83Å; L6-L10 HydrophobicContact CG-CD1 4.25Å; L6-L10 WeakPolarHBondContact O-CD1 3.43Å; L6-L10 PolarHBondContact O-N 3.48Å
7I41.1Very low38Very low97 Ų97109.9 Ų109.950%0.49759%0.588SS.*Hα-helixtrans-67-44.7175.9-68.7167.4000109.8K3 Q4 S9 L10 W11K3-I7 WeakPolarHBondContact O-CD1 3.22Å; K3-I7 VanDerWaalsContact O-CG1 3.27Å; K3-I7 WeakPolarHBondContact O-CG1 3.37Å; K3-I7 PolarHBondContact O-N 3.12Å; Q4-I7 PolarHBondContact O-N 3.13Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 2.97Å; I7-L10 PolarHBondContact O-N 2.98Å; I7-W11 PolarHBondContact O-N 3.29Å
8L35.2Very low37.8Very low115 Ų115111.8 Ų111.860%0.60259%0.591SS**Hα-helixtrans-63.3-36.6179.5-144.580.6000112.7Q4 W11 L12Q4-L8 WeakPolarHBondContact O-CB 3.32Å; Q4-L8 PolarHBondContact O-N 2.82Å; L8-W11 PolarHBondContact O-N 2.83Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CD1 3.24Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 3.19Å
9S44.9Very low37.6Very low50 Ų50110.7 Ų110.735%0.3559%0.589SS.*Hα-helixtrans-72-37.3176.442.50000112.8T5 L6 I7 L12 L13T5-S9 PolarHBondContact O-N 3.37Å; T5-S9 VanDerWaalsContact O-N 3.11Å; T5-S9 PolarHBondContact O-OG 3.48Å; L6-S9 WeakPolarHBondContact CA-OG 3.44Å; L6-S9 PolarHBondContact O-OG 2.83Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 2.97Å; S9-L12 PolarHBondContact O-N 3.4Å; S9-L13 WeakPolarHBondContact O-CB 3.37Å; S9-L13 PolarHBondContact O-N 2.74Å
10L37.3Very low37.7Very low116 Ų116108.7 Ų108.761%0.60758%0.576SS**Hα-helixtrans-63.8-38.5169.8-99.4112.7000112.5L6 I7 A14L6-L10 HydrophobicContact CG-CD1 4.25Å; L6-L10 WeakPolarHBondContact O-CD1 3.43Å; L6-L10 PolarHBondContact O-N 3.48Å; I7-L10 PolarHBondContact O-N 2.98Å; L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 2.89Å
11W35.3Very low37.4Very low195 Ų195106.4 Ų106.474%0.73957%0.572SS**Hα-helixtrans-69.5-33.8175.9-82.7102.7000112.9I7 L8 G15I7-W11 PolarHBondContact O-N 3.29Å; L8-W11 PolarHBondContact O-N 2.83Å; W11-G15 WeakPolarHBondContact O-CA 3.49Å; W11-G15 PolarHBondContact O-N 2.82Å
12L34.6Very low36.8Very low122 Ų12299.8 Ų99.864%0.63954%0.543SS*.Hα-helixtrans-72.6-38.9175.4-75.3162.1000112.4L8 S9 G15 S16L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CD1 3.24Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 3.19Å; S9-L12 PolarHBondContact O-N 3.4Å; L12-G15 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-N 3.44Å; L12-S16 PolarHBondContact O-OG 2.78Å
13L38.2Very low36.6Very low113 Ų113102.5 Ų102.559%0.59254%0.536SS*.Hα-helixtrans-69.2-41.1172.9-96.9141.6000112.4S9 G15 S16 L17S9-L13 WeakPolarHBondContact O-CB 3.37Å; S9-L13 PolarHBondContact O-N 2.74Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-S16 PolarHBondContact O-OG 2.93Å; L13-S16 VanDerWaalsContact O-OG 3.08Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 3.46Å
14A36.8Very low36.6Very low37 Ų3797 Ų9731%0.30651%0.511SS..Hα-helixtrans-65.8-38.4172.400000110.9L10 L17 F18L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 2.89Å; A14-L17 PolarHBondContact O-N 2.98Å; A14-F18 VanDerWaalsContact O-CB 3.27Å; A14-F18 WeakPolarHBondContact O-CB 3.42Å; A14-F18 WeakPolarHBondContact O-CD2 3.48Å; A14-F18 PolarHBondContact O-N 3.4Å
15G31Very low36.6Very low32 Ų3298.1 Ų98.133%0.3351%0.509SS..Hα-helixtrans-64-40177.800000113.8W11 L12 L13 F18 T19W11-G15 WeakPolarHBondContact O-CA 3.49Å; W11-G15 PolarHBondContact O-N 2.82Å; L12-G15 PolarHBondContact O-N 2.86Å; L13-G15 VanDerWaalsContact C-N 3.32Å; G15-F18 PolarHBondContact O-N 3.28Å; G15-T19 WeakPolarHBondContact O-CG2 3.41Å; G15-T19 PolarHBondContact O-N 3.02Å; G15-T19 PolarHBondContact O-OG1 3.12Å
16S38.5Very low36.1Very low60 Ų60100.9 Ų100.942%0.4252%0.515SS..Hα-helixtrans-72.7-37.2176.461.40000112.9L12 L13 T19 E20L12-S16 PolarHBondContact O-N 3.44Å; L12-S16 PolarHBondContact O-OG 2.78Å; L13-S16 PolarHBondContact O-OG 2.93Å; L13-S16 VanDerWaalsContact O-OG 3.08Å; S16-T19 WeakPolarHBondContact CA-OG1 3.34Å; S16-T19 PolarHBondContact O-OG1 3.47Å; S16-E20 PolarHBondContact O-N 3.27Å; S16-E20 VanDerWaalsContact O-N 3.1Å
17L37.6Very low36Very low108 Ų108100.9 Ų100.957%0.56551%0.511SS*.Hα-helixtrans-66-38.8170.5-73.9165.3000111.6L13 A14 A21L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 2.98Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.3Å
18F35.1Very low35.9Very low144 Ų144101.8 Ų101.863%0.63251%0.509SS*.Hα-helixtrans-68.9-41.1176.2-103.6-91.8000111.9A14 G15 A21 T22A14-F18 VanDerWaalsContact O-CB 3.27Å; A14-F18 WeakPolarHBondContact O-CB 3.42Å; A14-F18 WeakPolarHBondContact O-CD2 3.48Å; A14-F18 PolarHBondContact O-N 3.4Å; G15-F18 PolarHBondContact O-N 3.28Å; F18-A21 PolarHBondContact O-N 2.73Å; F18-T22 HydrophobicContact CD1-CG2 4.38Å; F18-T22 WeakPolarHBondContact O-CA 3.41Å; F18-T22 VanDerWaalsContact O-CB 3.28Å; F18-T22 WeakPolarHBondContact O-CB 3.43Å; F18-T22 PolarHBondContact O-N 3.16Å; F18-T22 PolarHBondContact O-OG1 3Å
19T33.7Very low35.7Very low90 Ų90101.8 Ų101.855%0.55250%0.501SS*.Hα-helixtrans-70.7-37.5179.149.10000112.1G15 S16 Y23G15-T19 WeakPolarHBondContact O-CG2 3.41Å; G15-T19 PolarHBondContact O-N 3.02Å; G15-T19 PolarHBondContact O-OG1 3.12Å; S16-T19 WeakPolarHBondContact CA-OG1 3.34Å; S16-T19 PolarHBondContact O-OG1 3.47Å; T19-Y23 WeakPolarHBondContact O-CA 3.49Å; T19-Y23 WeakPolarHBondContact O-CB 3.22Å; T19-Y23 PolarHBondContact O-N 3.09Å
20E38.8Very low34.9Very low71 Ų71105 Ų10533%0.33251%0.513SS..Hα-helixtrans-64.7-49.6169.1-83.4-163.3144.500110.9S16 T22 Y23 Y24S16-E20 PolarHBondContact O-N 3.27Å; S16-E20 VanDerWaalsContact O-N 3.1Å; E20-T22 PolarHBondContact O-N 3.19Å; E20-Y23 PolarHBondContact O-N 3Å; E20-Y24 VanDerWaalsContact O-CD2 3.23Å; E20-Y24 WeakPolarHBondContact O-CD2 3.35Å; E20-Y24 PolarHBondContact O-N 3.14Å
21A32.6Very low34.7Very low60 Ų60104.7 Ų104.750%0.49652%0.518SS..Hα-helixtrans-62.8-39.2-179.500000112.5L17 F18 R25L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.3Å; F18-A21 PolarHBondContact O-N 2.73Å; A21-R25 WeakPolarHBondContact O-CB 3.34Å; A21-R25 PolarHBondContact O-N 3.43Å
22T32Very low34.3Very low63 Ų63102.8 Ų102.839%0.38752%0.517SS..Hα-helixtrans-79.7-34177.448.80000113.2F18 E20 Y24 R25 H26F18-T22 HydrophobicContact CD1-CG2 4.38Å; F18-T22 WeakPolarHBondContact O-CA 3.41Å; F18-T22 VanDerWaalsContact O-CB 3.28Å; F18-T22 WeakPolarHBondContact O-CB 3.43Å; F18-T22 PolarHBondContact O-N 3.16Å; F18-T22 PolarHBondContact O-OG1 3Å; E20-T22 PolarHBondContact O-N 3.19Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 3.27Å; T22-R25 CarbonylContact O-C 3.55Å; T22-R25 PolarHBondContact O-N 3.31Å; T22-H26 VanDerWaalsContact O-CB 3.31Å; T22-H26 WeakPolarHBondContact O-CB 3.49Å; T22-H26 PolarHBondContact O-N 3.02Å
23Y35.7Very low34Very low142 Ų142106.4 Ų106.456%0.55753%0.528SS*.Hα-helixtrans-59.3-44.7171.6-179.3-100.8000110.6T19 E20 H27T19-Y23 WeakPolarHBondContact O-CA 3.49Å; T19-Y23 WeakPolarHBondContact O-CB 3.22Å; T19-Y23 PolarHBondContact O-N 3.09Å; E20-Y23 PolarHBondContact O-N 3Å; Y23-H27 AromaticContact CE2-CD2 3.75Å; Y23-H27 AromaticContact CE2-NE2 3.66Å; Y23-H27 AromaticContact CZ-CD2 3.79Å; Y23-H27 AromaticContact CZ-NE2 3.88Å; Y23-H27 WeakPolarHBondContact O-CB 3.44Å; Y23-H27 PolarHBondContact O-CD2 3.18Å; Y23-H27 PolarHBondContact O-N 3.36Å
24Y36.5Very low33.4Very low64 Ų64112.2 Ų112.225%0.25154%0.544SS..Hα-helixtrans-75.1-29174.6-76.7-77.7000113.3E20 T22 R28 L310E20-Y24 VanDerWaalsContact O-CD2 3.23Å; E20-Y24 WeakPolarHBondContact O-CD2 3.35Å; E20-Y24 PolarHBondContact O-N 3.14Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 3.27Å; Y24-R28 PolarHBondContact O-N 3.38Å; Y24-R28 VanDerWaalsContact O-N 3.15Å; Y24-L310 HydrophobicContact CE1-CB 4.23Å; Y24-L310 HydrophobicContact CE2-CB 4.3Å
25R35.2Very low32.9Very low171 Ų171121.6 Ų121.665%0.64557%0.572SS**Hα-helixtrans-78.5-26.6175.6-164177.6-167.8-178.24.4113.5A21 T22 R28A21-R25 WeakPolarHBondContact O-CB 3.34Å; A21-R25 PolarHBondContact O-N 3.43Å; T22-R25 CarbonylContact O-C 3.55Å; T22-R25 PolarHBondContact O-N 3.31Å; R25-R28 WeakPolarHBondContact O-CB 3.28Å
26H29.1Very low32.6Very low154 Ų154130.7 Ų130.771%0.71360%0.597SS**Hα-helixtrans-81.7-37.8171.8-104.623.6000111.8T22 R28 Y29T22-H26 VanDerWaalsContact O-CB 3.31Å; T22-H26 WeakPolarHBondContact O-CB 3.49Å; T22-H26 PolarHBondContact O-N 3.02Å; H26-R28 PolarHBondContact O-N 3.41Å; H26-Y29 CarbonylContact O-C 3.55Å; H26-Y29 PolarHBondContact O-N 3.33Å
27H37.2Very low31.9Very low114 Ų114138.2 Ų138.253%0.52862%0.617SS.*THydrogen-bonded Turntrans-72.5-5.4169.2-78.2-62.6000113.9Y23 Y29Y23-H27 AromaticContact CE2-CD2 3.75Å; Y23-H27 AromaticContact CE2-NE2 3.66Å; Y23-H27 AromaticContact CZ-CD2 3.79Å; Y23-H27 AromaticContact CZ-NE2 3.88Å; Y23-H27 WeakPolarHBondContact O-CB 3.44Å; Y23-H27 PolarHBondContact O-CD2 3.18Å; Y23-H27 PolarHBondContact O-N 3.36Å; H27-Y29 PolarHBondContact O-N 2.87Å
28R38.5Very low31.3Very low117 Ų117140.3 Ų140.344%0.44262%0.624SS.*THydrogen-bonded Turntrans-66.3-13.3162.2-131.9176.1-174.6-175.1-4.2112.7Y24 R25 H26 D328Y24-R28 PolarHBondContact O-N 3.38Å; Y24-R28 VanDerWaalsContact O-N 3.15Å; R25-R28 WeakPolarHBondContact O-CB 3.28Å; H26-R28 PolarHBondContact O-N 3.41Å; R28-D328 IonicContact NH2-OD2 3.91Å
29Y31.8Very low30.9Very low115 Ų115139.7 Ų139.745%0.45163%0.634SS.*  trans-139.179-177.6-69.3-88.3000112.1H26 H27 F330H26-Y29 CarbonylContact O-C 3.55Å; H26-Y29 PolarHBondContact O-N 3.33Å; H27-Y29 PolarHBondContact O-N 2.87Å; Y29-F330 HydrophobicContact CE1-CE2 4.41Å; Y29-F330 AromaticContact CE1-CZ 3.76Å; Y29-F330 HydrophobicContact CE1-CZ 3.76Å
30I27.7Very low30.6Very low117 Ų117139.6 Ų139.660%0.664%0.637SS**  trans-116.395.2143.9-58.8-177.2000107.4H32I30-H32 VanDerWaalsContact C-N 3.28Å; I30-H32 HydrophobicContact CG2-CB 4.26Å; I30-H32 PolarHBondContact O-N 2.88Å; I30-H32 VanDerWaalsContact O-N 3.12Å
31P31.9Very low30.2Very low110 Ų110142 Ų14271%0.71466%0.656SS**  trans-81.380.1166.633.7-28000107.8
32H27.6Very low30.1Very low155 Ų155146 Ų14672%0.71867%0.669SS**  trans-118.9127.5157.3-81.1-57.6000108.5I30I30-H32 VanDerWaalsContact C-N 3.28Å; I30-H32 HydrophobicContact CG2-CB 4.26Å; I30-H32 PolarHBondContact O-N 2.88Å; I30-H32 VanDerWaalsContact O-N 3.12Å
33F29.5Very low29.9Very low197 Ų197150 Ų15086%0.86469%0.694SS**  trans93.150.6-176.3-54.8-78.9000117.3
34Y25.6Very low29.6Very low235 Ų235151.2 Ų151.292%0.92271%0.705SS**  trans-115.885.9133.2-81.9-83.4000108.2
35R25.3Very low29.4Very low235 Ų235155 Ų15589%0.88773%0.73SS**  trans-109.3102.3157.9-137.3179.5-168.41763.3106.1R37R35-R37 PolarHBondContact O-N 2.91Å; R35-R37 VanDerWaalsContact O-N 3.09Å
36Y24.1Very low29.3Very low222 Ų222155.2 Ų155.287%0.87174%0.743SS**  trans-54.9109.9162.9-152.2-97.1000106.1
37R24.4Very low29.3Very low218 Ų218155.8 Ų155.882%0.82375%0.75SS**  trans-110.7110.1169.1-158.6177.5-171.7177.31.3105.3R35R35-R37 PolarHBondContact O-N 2.91Å; R35-R37 VanDerWaalsContact O-N 3.09Å
38E25.5Very low29Very low153 Ų153156.1 Ų156.172%0.71576%0.762SS**  trans-50.5146164.7-70.2-177.2159.300109.4S40E38-S40 PolarHBondContact O-N 3.13Å
39P27.2Very low28.5Very low131 Ų131158.4 Ų158.485%0.85178%0.783SS**  trans-70.796.5-177.628.7-32.1000109.6
40S25.5Very low28.5Very low87 Ų87159.2 Ų159.261%0.60880%0.8SS**  trans-74.7126159.262.70000108.4E38E38-S40 PolarHBondContact O-N 3.13Å
41T30.6Very low28.7Very low121 Ų121158.1 Ų158.174%0.74281%0.808SS**SBendtrans-43.3151.4172.643.40000113.9
42N31.6Very low28.7Very low144 Ų144160.3 Ų160.377%0.7781%0.814SS**  trans91.288.8173.4-56.5-14000116.6
43T27.9Very low29Very low149 Ų149159 Ų15991%0.91482%0.819SS**  trans-155.278137-0.70000108.2
44E28.6Very low29.1Very low167 Ų167154.1 Ų154.178%0.7882%0.816SS**  trans-65.6155.2157.6-76.2178.2146.400109.7
45N32Very low29.5Very low143 Ų143148.6 Ų148.677%0.76581%0.808SS**  trans85.292.6167.2-51.8-34.6000116.2
46L33.8Very low29.6Very low176 Ų176147 Ų14792%0.92181%0.811SS**  175.677.2125.4-88.4160.1000109.7
47L29.4Very low29.9Very low165 Ų165142.5 Ų142.586%0.86481%0.806SS**  trans-137.7132.5160.4-73.3173000107.8
48P30.9Very low30.1Very low121 Ų121137 Ų13779%0.78680%0.801SS**  trans-78.9143.517329.7-30000111.7
49D28.1Very low30.3Very low166 Ų166138.1 Ų138.189%0.88881%0.806SS**  trans-55.7136.3-171.7-69.1-55.5000115.2
50V31.8Very low30.4Very low131 Ų131137.6 Ų137.679%0.79481%0.806SS**  trans-113.6116.6159.8179.70000107.1N52V50-N52 PolarHBondContact O-N 2.66Å
51A31.2Very low30.5Very low94 Ų94136.9 Ų136.978%0.77781%0.812SS**PPolyproline II helixtrans-62.5127.5178.800000111.7
52N32.1Very low30.6Very low157 Ų157139.3 Ų139.384%0.8482%0.82SS**PPolyproline II helixtrans-93.3139.4166-81.8-28.9000110V50V50-N52 PolarHBondContact O-N 2.66Å
53P34Very low30.8Very low127 Ų127137.8 Ų137.883%0.82582%0.818SS**PPolyproline II helixtrans-84148.2154.3-4.923.6000111.4
54A32.3Very low31Very low95 Ų95137.1 Ų137.179%0.78581%0.814SS**PPolyproline II helixtrans-69.5168.5-175.600000114.4
55P32.4Very low31.2Very low118 Ų118139.9 Ų139.977%0.76682%0.819SS**PPolyproline II helixtrans-93.3146.7-168.936.1-29.3000112.9
56E28.9Very low31.2Very low202 Ų202138.4 Ų138.494%0.94482%0.817SS**  trans-112147163.5-86-173.9166.100111.5
57V30Very low31.2Very low128 Ų128139.3 Ų139.378%0.77682%0.817SS**  trans-107.8148.9-166.8164.40000110.7
58S27.4Very low31.4Very low101 Ų101137.6 Ų137.671%0.70681%0.813SS**  trans78.8142.6162.7810000116.3
59Q29.7Very low31.3Very low178 Ų178137.2 Ų137.283%0.83281%0.81SS**  cis-149.4164.530.3-73.1179.6-12.400113.4
60S29.5Very low31.6Very low120 Ų120137.3 Ų137.384%0.83981%0.806SS**  trans-50138.5166.251.30000115.6
61G29.1Very low31.5Very low71 Ų71136.2 Ų136.273%0.73280%0.799SS**  trans-179100.5161.700000110.9P63G61-P63 WeakPolarHBondContact O-CD 3.43Å
62N32.9Very low31.4Very low173 Ų173140 Ų14093%0.92580%0.798SS**  trans-69.8135.6161.9-104.5-6.6000108.5
63P34Very low31.3Very low111 Ų111140 Ų14072%0.72179%0.793SS**  trans-123.3134.1139.24.417.4000112G61G61-P63 WeakPolarHBondContact O-CD 3.43Å
64T32.7Very low31.1Very low136 Ų136139.8 Ų139.883%0.83479%0.791SS**  trans-44.8134.4167.441.10000114.6
65Y32.9Very low30.9Very low224 Ų224139.7 Ų139.788%0.87879%0.79SS**PPolyproline II helixtrans-72.3139.6166.8-70.6-92.5000111.1
66P32.3Very low30.7Very low113 Ų113139.3 Ų139.373%0.73479%0.788SS**PPolyproline II helixtrans-85.8125.9152.58.78.8000109.8
67E34.7Very low30.8Very low195 Ų195138.6 Ų138.691%0.91179%0.785SS**PPolyproline II helixtrans-56.6132164.4-72.6173.7146.600110.3
68V31.8Very low30.6Very low129 Ų129137.7 Ų137.778%0.78278%0.779SS**  trans-111.5127.1166.9-178.80000107.2
69P30.2Very low30.6Very low112 Ų112138.1 Ų138.173%0.72778%0.777SS**  trans-67.1138.2-175.7-16.228.7000112.8V71P69-V71 PolarHBondContact O-N 3.08Å
70E33.8Very low30.5Very low169 Ų169137.6 Ų137.679%0.7977%0.774SS**  trans-57.6119.4161.3-75-179.8141.300110.1
71V29Very low30.3Very low107 Ų107137.1 Ų137.165%0.64877%0.767SS**  trans-111.599.9160.6-177.10000107.4P69 H73P69-V71 PolarHBondContact O-N 3.08Å; V71-H73 WeakPolarHBondContact CG1-NE2 3.45Å; V71-H73 PolarHBondContact O-N 2.86Å
72F28.9Very low30.4Very low173 Ų173141.5 Ų141.576%0.75977%0.771SS**  trans-64.1116.2164.1-95.1-100.4000109.2
73H30.6Very low30.1Very low159 Ų159138.7 Ų138.774%0.73676%0.763SS**  trans-117.9121.4154.3-71.5-53.9000108V71 A75V71-H73 WeakPolarHBondContact CG1-NE2 3.45Å; V71-H73 PolarHBondContact O-N 2.86Å; H73-A75 PolarHBondContact O-N 2.89Å
74P30Very low30.2Very low122 Ų122142.7 Ų142.779%0.79277%0.772SS**PPolyproline II helixtrans-68.5117.7173.127.6-29.5000108.2
75A29Very low30.1Very low92 Ų92140.4 Ų140.476%0.7677%0.767SS**PPolyproline II helixtrans-69.5135.9168.800000108.8H73H73-A75 PolarHBondContact O-N 2.89Å
76P28.1Very low29.9Very low110 Ų110139.2 Ų139.271%0.71477%0.767SS**PPolyproline II helixtrans-69.8144.7-170.327.2-32.9000112V78P76-V78 PolarHBondContact O-N 2.92Å
77E29.5Very low29.9Very low188 Ų188142.4 Ų142.488%0.87977%0.771SS**  trans-54.7108.8168.4-72.9178.6149.900110.1V79E77-V79 PolarHBondContact O-N 3.08Å
78V26.8Very low29.7Very low108 Ų108138.5 Ų138.566%0.65576%0.763SS**  trans-87.394.1167.7-178.90000107.5P76 H80P76-V78 PolarHBondContact O-N 2.92Å; V78-H80 PolarHBondContact O-N 2.85Å; V78-H80 VanDerWaalsContact O-N 3.15Å
79V27.2Very low29.7Very low110 Ų110138.8 Ų138.867%0.66776%0.764SS**  trans-62.7106.2163179.90000107.4E77 T81E77-V79 PolarHBondContact O-N 3.08Å; V79-T81 VanDerWaalsContact C-N 3.3Å; V79-T81 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.85Å
80H28Very low29.7Very low167 Ų167138.8 Ų138.877%0.77377%0.765SS**  trans-76.188.4167-80.7-58.9000109.4V78 I82V78-H80 PolarHBondContact O-N 2.85Å; V78-H80 VanDerWaalsContact O-N 3.15Å; H80-I82 PolarHBondContact O-N 3.05Å
81T25.4Very low29.6Very low111 Ų111139.4 Ų139.468%0.68177%0.768SS**PPolyproline II helixtrans-63.8121.2155.348.30000108.6V79 P83V79-T81 VanDerWaalsContact C-N 3.3Å; V79-T81 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.85Å; T81-P83 WeakPolarHBondContact O-CD 3.34Å
82I30Very low29.7Very low162 Ų162139.7 Ų139.783%0.83177%0.769SS**PPolyproline II helixtrans-72.8123.4169.3-59.9173.7000107.1H80 E84H80-I82 PolarHBondContact O-N 3.05Å; I82-E84 PolarHBondContact O-N 2.95Å
83P27.6Very low29.8Very low115 Ų115137.2 Ų137.275%0.74777%0.768SS**PPolyproline II helixtrans-74.7125.8177.7-9.925.7000110.9T81T81-P83 WeakPolarHBondContact O-CD 3.34Å
84E35.9Very low29.9Very low194 Ų194137.1 Ų137.191%0.90777%0.768SS**PPolyproline II helixtrans-63.6131.4148.3-76.4-179.6138.200108.8I82I82-E84 PolarHBondContact O-N 2.95Å
85A30Very low30Very low89 Ų89136.8 Ų136.874%0.73677%0.765SS**  trans-174.6108.7141.600000110.8
86F30.2Very low30.1Very low199 Ų199136.9 Ų136.987%0.87377%0.766SS**  trans-56.7145.5142.3-84.8-104.3000109.9
87H31.1Very low30.4Very low180 Ų180137.7 Ų137.783%0.83377%0.771SS**  trans-143.4138.1133.8-87.1-59.9000110.6
88P30.8Very low30.6Very low112 Ų112137.2 Ų137.273%0.72777%0.769SS**PPolyproline II helixtrans-77.8149.5-176.930.9-32.6000112.3
89V31.1Very low31Very low135 Ų135137.3 Ų137.382%0.81878%0.775SS**PPolyproline II helixtrans-73.5137.7169.5-179.60000108.7E91V89-E91 PolarHBondContact O-N 3.3Å
90P30.4Very low31.2Very low113 Ų113140.7 Ų140.773%0.73478%0.783SS**PPolyproline II helixtrans-65.3132.4177.2-1628.9000111.7V92P90-V92 PolarHBondContact O-N 3.01Å
91E31.6Very low31.5Very low182 Ų182141.5 Ų141.585%0.8579%0.787SS**  trans-71.5115.3173.6-167.1169.7-164.400109.6V89 V93V89-E91 PolarHBondContact O-N 3.3Å; E91-V93 PolarHBondContact O-N 3.48Å
92V32.1Very low32.1Very low112 Ų112141.8 Ų141.868%0.67979%0.788SS**  trans-83.4104.7171.6178.90000107.6P90 H94P90-V92 PolarHBondContact O-N 3.01Å; V92-H94 PolarHBondContact O-N 3.15Å
93V30.2Very low32.2Very low121 Ų121142 Ų14273%0.73379%0.79SS**  trans-72.3114.9173.7179.40000108.9E91E91-V93 PolarHBondContact O-N 3.48Å
94H33.7Very low32.6Very low158 Ų158145.2 Ų145.273%0.73180%0.795SS**PPolyproline II helixtrans-94.7133.5163.4-69.9-60.2000109.4V92V92-H94 PolarHBondContact O-N 3.15Å
95P31.1Very low32.8Very low115 Ų115141.9 Ų141.975%0.74779%0.787SS**PPolyproline II helixtrans-68.7140.2179.526.6-31.1000111.3
96A31.3Very low33.1Very low94 Ų94143.2 Ų143.278%0.77779%0.788SS**PPolyproline II helixtrans-64.9138.7175.200000111.5
97P33.9Very low33.7Very low126 Ų126140.1 Ų140.182%0.81878%0.781SS**PPolyproline II helixtrans-82.8140.2163.5-2.420.9000110.8
98E33.3Very low34.2Very low179 Ų179143.1 Ų143.184%0.83679%0.785SS**PPolyproline II helixtrans-63.8159.5-179.3-69.3177.9148.900114.7
99S35.3Very low35Very low110 Ų110142.7 Ų142.777%0.76978%0.777SS**PPolyproline II helixtrans-63.2128.7-178.352.80000114.4
100H33.1Very low36.2Very low181 Ų181145.1 Ų145.184%0.83877%0.771SS**  trans-128.1151159.5-76.7-46000112.3
101H33Very low38Very low184 Ų184146 Ų14685%0.85277%0.769SS**  trans-62146.9-153-83.5-88.5000117.2
102V38.7Very low40.4Very low117 Ų117140 Ų14071%0.70975%0.748SS**  trans-45.3122.4168.1179.50000113.2Q104V102-Q104 HydrophobicContact CG1-CG 3.71Å
103L32.1Very low43.1Very low166 Ų166141.7 Ų141.787%0.86974%0.742SS**  trans-115.2107.6148.5-85.7163.5000107.2V105L103-V105 PolarHBondContact O-N 3.28Å; L103-V105 VanDerWaalsContact O-N 3.16Å
104Q35.9Very low46.1Very low183 Ų183138.7 Ų138.786%0.85572%0.724SS**  trans-66.9107.9175.9-75.2177.6-1400109.5V102V102-Q104 HydrophobicContact CG1-CG 3.71Å
105V39.2Very low49Very low124 Ų124132.6 Ų132.675%0.75270%0.695SS**  trans-91.5137.8160.5-179.10000106.8L103 D107L103-V105 PolarHBondContact O-N 3.28Å; L103-V105 VanDerWaalsContact O-N 3.16Å; V105-D107 PolarHBondContact O-N 3.12Å; V105-D107 VanDerWaalsContact O-N 3.13Å
106P37.9Very low52.2Low116 Ų116128.5 Ų128.575%0.75367%0.665SS**  trans-60.5121.7-171.1-18.429.8000111.1R108P106-R108 PolarHBondContact O-N 3.49Å; P106-R108 VanDerWaalsContact O-N 3.12Å
107D41.3Very low55.3Low135 Ų135124.1 Ų124.172%0.72263%0.629SS**  trans-56.1109173.3-173.816.8000110.4V105 N109V105-D107 PolarHBondContact O-N 3.12Å; V105-D107 VanDerWaalsContact O-N 3.13Å; D107-N109 VanDerWaalsContact OD1-CB 3.32Å; D107-N109 WeakPolarHBondContact OD1-CB 3.27Å; D107-N109 PolarHBondContact OD1-N 3.42Å
108R42.9Very low58.4Low242 Ų242118.2 Ų118.291%0.91359%0.591SS**  trans-101.668.3159.4-78.5-170.9175.8-172.40.2107.5P106 R110P106-R108 PolarHBondContact O-N 3.49Å; P106-R108 VanDerWaalsContact O-N 3.12Å; R108-R110 PolarHBondContact O-N 2.92Å
109N47.8Very low61.5Low103 Ų103109.9 Ų109.955%0.55155%0.552SS**  trans-64.487.2167.9-160.220000109.2D107 D111D107-N109 VanDerWaalsContact OD1-CB 3.32Å; D107-N109 WeakPolarHBondContact OD1-CB 3.27Å; D107-N109 PolarHBondContact OD1-N 3.42Å; N109-D111 PolarHBondContact ND2-OD1 3.14Å; N109-D111 PolarHBondContact O-N 3.3Å; N109-D111 PolarHBondContact OD1-OD1 3.22Å
110R54.7Low64.5Low187 Ų187104.6 Ų104.671%0.70652%0.515SS*.  trans-79.894.9153.2-83.8-174.9176.4-168.8-3.1105.4R108 S112 D138R108-R110 PolarHBondContact O-N 2.92Å; R110-S112 PolarHBondContact O-N 3.42Å; R110-S112 PolarHBondContact O-OG 3Å; R110-D138 IonicContact NH1-OD2 3.65Å
111D68.3Low67.6Low130 Ų13096.5 Ų96.570%0.69548%0.478SS*.  trans-48.3105.3178.1-82.9-32.9000110N109 R113N109-D111 PolarHBondContact ND2-OD1 3.14Å; N109-D111 PolarHBondContact O-N 3.3Å; N109-D111 PolarHBondContact OD1-OD1 3.22Å; D111-R113 PolarHBondContact O-N 2.95Å
112S82.3Confident70.7Confident58 Ų5887.7 Ų87.741%0.40644%0.437SS..PPolyproline II helixtrans-77.1121.5177.3-63.10000108.3R110 Q136R110-S112 PolarHBondContact O-N 3.42Å; R110-S112 PolarHBondContact O-OG 3Å; S112-Q136 CarbonylContact C-O 3.47Å; S112-Q136 WeakPolarHBondContact CA-O 3.37Å
113R89.9Confident73.3Confident147 Ų14782.4 Ų82.456%0.55541%0.406SS*.EExtended strand (participates in β ladder)trans-82.6121.3-180177.9177.5173.2163-5.1110.2D111 Q136D111-R113 PolarHBondContact O-N 2.95Å; R113-Q136 HydrophobicContact CB-CB 4.38Å; R113-Q136 PolarHBondContact N-O 2.73Å; R113-Q136 PolarHBondContact O-N 2.98Å
114V93.1Very high75.9Confident57 Ų5774.9 Ų74.935%0.34537%0.367SS..EExtended strand (participates in β ladder)trans-90139.1168-176.60000109.2Y116 K133 F134 I135V114-Y116 HydrophobicContact CG1-CE2 4.13Å; V114-K133 HydrophobicContact CG1-CD 4.47Å; V114-K133 HydrophobicContact CG1-CG 4.07Å; V114-F134 WeakPolarHBondContact CA-O 3.41Å; V114-I135 HydrophobicContact CG2-CG1 4.38Å
115F94.8Very high78.5Confident30 Ų3068 Ų6813%0.13234%0.338CS..EExtended strand (participates in β ladder)trans-154.1162.7173.964.6-78.4000111F134 Q136 P143 F494F115-F134 HydrophobicContact CD1-CB 3.94Å; F115-F134 HydrophobicContact CD2-CB 4.19Å; F115-F134 HydrophobicContact CD2-CD2 4.15Å; F115-F134 HydrophobicContact CE1-CB 3.44Å; F115-F134 VanDerWaalsContact CE1-CB 3.44Å; F115-F134 HydrophobicContact CE1-CG 4.4Å; F115-F134 HydrophobicContact CE2-CB 3.75Å; F115-F134 AromaticContact CE2-CD2 3.67Å; F115-F134 HydrophobicContact CE2-CD2 3.67Å; F115-F134 AromaticContact CE2-CG 3.93Å; F115-F134 HydrophobicContact CE2-CG 3.93Å; F115-F134 HydrophobicContact CG-CB 4.28Å; F115-F134 HydrophobicContact CZ-CB 3.36Å; F115-F134 HydrophobicContact CZ-CD2 4.08Å; F115-F134 AromaticContact CZ-CG 3.84Å; F115-F134 HydrophobicContact CZ-CG 3.84Å; F115-F134 PolarHBondContact N-O 2.79Å; F115-F134 VanDerWaalsContact N-O 3.08Å; F115-F134 PolarHBondContact O-N 2.97Å; F115-Q136 HydrophobicContact CE1-CB 4.02Å; F115-P143 HydrophobicContact CE1-CB 4.09Å; F115-P143 HydrophobicContact CZ-CB 3.87Å; F115-P143 HydrophobicContact CZ-CG 4.14Å; F115-F494 HydrophobicContact CD2-CE1 4.49Å; F115-F494 HydrophobicContact CD2-CE2 4.18Å; F115-F494 HydrophobicContact CD2-CZ 4.04Å; F115-F494 AromaticContact CE2-CD2 3.94Å; F115-F494 HydrophobicContact CE2-CD2 3.94Å; F115-F494 HydrophobicContact CE2-CE1 4.47Å; F115-F494 AromaticContact CE2-CE2 3.67Å; F115-F494 HydrophobicContact CE2-CE2 3.67Å; F115-F494 HydrophobicContact CE2-CG 4.47Å; F115-F494 AromaticContact CE2-CZ 3.98Å; F115-F494 HydrophobicContact CE2-CZ 3.98Å
116Y97.1Very high81.1Confident29 Ų2962.1 Ų62.111%0.11430%0.302CS..EExtended strand (participates in β ladder)trans-122.5160-174.7-60.5-96.4000111.5V114 Y132 K133 V182 E186 P191V114-Y116 HydrophobicContact CG1-CE2 4.13Å; Y116-Y132 CarbonylContact C-O 3.59Å; Y116-Y132 WeakPolarHBondContact CA-O 2.93Å; Y116-K133 HydrophobicContact CD1-CB 3.91Å; Y116-K133 HydrophobicContact CD1-CG 4.14Å; Y116-K133 HydrophobicContact CE1-CB 3.7Å; Y116-K133 HydrophobicContact CE1-CD 3.8Å; Y116-K133 HydrophobicContact CE1-CG 3.58Å; Y116-V182 HydrophobicContact CD1-CG1 4.47Å; Y116-V182 HydrophobicContact CD1-CG2 4.36Å; Y116-V182 HydrophobicContact CD2-CG1 4.19Å; Y116-V182 HydrophobicContact CG-CG1 4.1Å; Y116-E186 HydrophobicContact CD2-CB 4.09Å; Y116-E186 HydrophobicContact CD2-CG 4.17Å; Y116-E186 HydrophobicContact CE2-CB 4.25Å; Y116-E186 HydrophobicContact CE2-CG 3.97Å; Y116-P191 WeakPolarHBondContact O-CD 3.2Å
117G97.6Very high83.9Confident2 Ų256.6 Ų56.62%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-146136168.100000110.8I131 Y132G117-I131 WeakPolarHBondContact O-CA 2.97Å; G117-Y132 PolarHBondContact N-O 3.18Å; G117-Y132 PolarHBondContact O-N 2.88Å
118I98.6Very high86.6Confident2 Ų252.4 Ų52.41%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-109117.3177.8-57.5161.9000108.5F120 I129 H130 I131 A178 V182 T190 P191 V192 V193 F224I118-F120 HydrophobicContact CG2-CD2 4.01Å; I118-F120 HydrophobicContact CG2-CE2 3.65Å; I118-I129 HydrophobicContact CG2-CD1 3.84Å; I118-I129 HydrophobicContact CG2-CG1 3.84Å; I118-H130 CarbonylContact C-O 3.55Å; I118-H130 WeakPolarHBondContact CA-O 3.29Å; I118-I131 HydrophobicContact CG1-CG1 4.25Å; I118-I131 HydrophobicContact CG1-CG2 4.28Å; I118-I131 HydrophobicContact CG2-CG1 4.42Å; I118-A178 HydrophobicContact CD1-CB 3.79Å; I118-A178 HydrophobicContact CG1-CB 4.42Å; I118-V182 HydrophobicContact CD1-CG2 4.41Å; I118-T190 HydrophobicContact CD1-CG2 3.74Å; I118-T190 HydrophobicContact CG1-CG2 3.8Å; I118-P191 PolarHBondContact N-O 3.3Å; I118-V192 HydrophobicContact CB-CB 4.27Å; I118-V192 HydrophobicContact CB-CG2 4.11Å; I118-V192 HydrophobicContact CG2-CG2 3.87Å; I118-V193 PolarHBondContact O-N 2.94Å; I118-F224 HydrophobicContact CD1-CD1 3.56Å; I118-F224 HydrophobicContact CD1-CD2 3.87Å; I118-F224 HydrophobicContact CD1-CE1 3.57Å; I118-F224 HydrophobicContact CD1-CE2 3.88Å; I118-F224 HydrophobicContact CD1-CG 3.72Å; I118-F224 HydrophobicContact CD1-CZ 3.74Å
119M98.5Very high89.2Confident4 Ų440.9 Ų40.92%0.0220%0.197CC..EExtended strand (participates in β ladder)trans-119.3122.2178.4-177.859.563.200110.6H130 Y132 V193 K195 W485 A486 A489M119-H130 HydrophobicContact CB-CB 4.42Å; M119-H130 PolarHBondContact N-O 3.49Å; M119-H130 PolarHBondContact O-N 2.85Å; M119-Y132 HydrophobicContact CB-CE2 4.43Å; M119-V193 CarbonylContact C-O 3.58Å; M119-V193 WeakPolarHBondContact CA-O 3.18Å; M119-V193 HydrophobicContact CE-CB 3.77Å; M119-V193 HydrophobicContact CE-CG1 3.72Å; M119-V193 HydrophobicContact SD-CB 4.13Å; M119-V193 HydrophobicContact SD-CG1 4.01Å; M119-K195 HydrophobicContact SD-CG 4.24Å; M119-W485 HydrophobicContact CG-CH2 4.49Å; M119-W485 HydrophobicContact CG-CZ3 4.1Å; M119-W485 HydrophobicContact SD-CH2 4.34Å; M119-W485 HydrophobicContact SD-CZ3 3.95Å; M119-A486 HydrophobicContact CB-CB 4.49Å; M119-A486 HydrophobicContact CG-CB 3.88Å; M119-A489 HydrophobicContact CE-CB 3.93Å; M119-A489 HydrophobicContact SD-CB 4.43Å
120F98.6Very high91.6Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-95.4126171.1-75.9-104.4000110.7I118 T127 R128 I129 I171 L174 L175 V192 V193 L194 K195 F219I118-F120 HydrophobicContact CG2-CD2 4.01Å; I118-F120 HydrophobicContact CG2-CE2 3.65Å; F120-T127 HydrophobicContact CD1-CG2 4.33Å; F120-R128 CarbonylContact C-O 3.55Å; F120-R128 VanDerWaalsContact CA-O 3.24Å; F120-R128 WeakPolarHBondContact CA-O 3.49Å; F120-I129 HydrophobicContact CD1-CB 4.25Å; F120-I129 HydrophobicContact CD1-CG1 4.46Å; F120-I129 HydrophobicContact CD2-CG1 4.27Å; F120-I129 HydrophobicContact CE1-CB 4.06Å; F120-I129 HydrophobicContact CE1-CD1 4.09Å; F120-I129 HydrophobicContact CE1-CG1 4.14Å; F120-I129 HydrophobicContact CE2-CD1 3.75Å; F120-I129 HydrophobicContact CE2-CG1 3.9Å; F120-I129 HydrophobicContact CZ-CB 4.26Å; F120-I129 HydrophobicContact CZ-CD1 3.45Å; F120-I129 VanDerWaalsContact CZ-CD1 3.45Å; F120-I129 HydrophobicContact CZ-CG1 3.84Å; F120-I171 HydrophobicContact CD1-CD1 4.08Å; F120-I171 HydrophobicContact CE1-CD1 4.2Å; F120-I171 HydrophobicContact CE1-CG2 4.18Å; F120-I171 HydrophobicContact CZ-CG2 4.33Å; F120-L174 HydrophobicContact CD1-CD1 4.02Å; F120-L174 HydrophobicContact CE1-CB 3.49Å; F120-L174 VanDerWaalsContact CE1-CB 3.49Å; F120-L174 HydrophobicContact CE1-CD1 3.64Å; F120-L174 HydrophobicContact CE1-CG 4.22Å; F120-L174 HydrophobicContact CZ-CB 3.96Å; F120-L175 HydrophobicContact CE2-CD2 3.89Å; F120-L175 HydrophobicContact CE2-CG 4.47Å; F120-L175 HydrophobicContact CZ-CD2 3.84Å; F120-L175 HydrophobicContact CZ-CG 3.95Å; F120-V192 HydrophobicContact CD2-CG2 4.09Å; F120-V192 HydrophobicContact CE2-CG2 3.75Å; F120-V193 PolarHBondContact N-O 2.69Å; F120-L194 HydrophobicContact CB-CB 3.75Å; F120-L194 HydrophobicContact CB-CD1 3.6Å; F120-L194 HydrophobicContact CB-CG 3.65Å; F120-L194 HydrophobicContact CD1-CD1 4.36Å; F120-L194 HydrophobicContact CG-CD1 4.18Å; F120-L194 WeakPolarHBondContact O-CA 3.35Å; F120-K195 PolarHBondContact O-N 3.01Å; F120-F219 HydrophobicContact CD2-CE1 4.02Å; F120-F219 AromaticContact CD2-CZ 3.7Å; F120-F219 HydrophobicContact CD2-CZ 3.7Å; F120-F219 AromaticContact CE2-CE1 3.88Å; F120-F219 HydrophobicContact CE2-CE1 3.88Å; F120-F219 AromaticContact CE2-CZ 4Å; F120-F219 HydrophobicContact CE2-CZ 4Å; F120-F219 HydrophobicContact CG-CZ 4.3Å; F120-F219 HydrophobicContact CZ-CE1 4.33Å
121D97.9Very high93.7Very high10 Ų1027.2 Ų27.25%0.05314%0.138CC..EExtended strand (participates in β ladder)trans-99.2103.5166.7162.332.5000109.1G123 T127 R128 W485D121-G123 VanDerWaalsContact C-N 3.34Å; D121-G123 PolarHBondContact O-N 3.34Å; D121-G123 PolarHBondContact OD1-N 3.19Å; D121-T127 CarbonylContact O-C 3.43Å; D121-T127 WeakPolarHBondContact O-CA 3.31Å; D121-R128 HydrophobicContact CB-CB 4.25Å; D121-R128 PolarHBondContact N-O 2.84Å; D121-R128 PolarHBondContact O-N 2.78Å; D121-R128 WeakPolarHBondContact OD2-CD 3.48Å; D121-R128 IonicContact OD2-CZ 3.61Å; D121-R128 IonicContact OD2-NE 3.53Å; D121-R128 IonicContact OD2-NH1 2.84Å; D121-R128 PolarHBondContact OD2-NH1 2.94Å; D121-W485 HydrophobicContact CB-CH2 3.87Å; D121-W485 HydrophobicContact CB-CZ2 3.42Å; D121-W485 VanDerWaalsContact CB-CZ2 3.42Å; D121-W485 VanDerWaalsContact OD1-CZ2 3.23Å; D121-W485 WeakPolarHBondContact OD1-CZ2 3.31Å
122A96.9Very high95.2Very high0 Ų021 Ų210%011%0.105CC..EExtended strand (participates in β ladder)trans-88.576.3172.700000110.3L157 L194 K195 A196 T197A122-L157 HydrophobicContact CB-CB 4.31Å; A122-L157 HydrophobicContact CB-CD2 4.43Å; A122-L194 HydrophobicContact CB-CD1 4.17Å; A122-L194 HydrophobicContact CB-CD2 3.92Å; A122-L194 HydrophobicContact CB-CG 4.23Å; A122-K195 PolarHBondContact N-O 2.88Å; A122-A196 HydrophobicContact CB-CB 3.9Å; A122-A196 WeakPolarHBondContact O-CA 3.22Å; A122-T197 PolarHBondContact O-N 3.46Å
123G93.2Very high95.9Very high5 Ų521.3 Ų21.35%0.05210%0.099CC..EExtended strand (participates in β ladder)trans-77.7159177.100000113.9D121 T125 G126D121-G123 VanDerWaalsContact C-N 3.34Å; D121-G123 PolarHBondContact O-N 3.34Å; D121-G123 PolarHBondContact OD1-N 3.19Å; G123-T125 VanDerWaalsContact C-N 3.28Å; G123-T125 PolarHBondContact O-N 3.47Å; G123-G126 CarbonylContact C-O 3.57Å; G123-G126 WeakPolarHBondContact CA-O 3.49Å; G123-G126 PolarHBondContact N-O 3.21Å; G123-G126 VanDerWaalsContact N-O 3.17Å; G123-G126 PolarHBondContact O-N 3.27Å; G123-G126 VanDerWaalsContact O-O 3.08Å
124S88.1Confident96.1Very high9 Ų914.3 Ų14.36%0.0637%0.072CC..THydrogen-bonded Turntrans-56.7-32.1179.552.80000115.5G269 G270S124-G269 WeakPolarHBondContact OG-CA 3.31Å; S124-G269 PolarHBondContact OG-N 3.21Å; S124-G270 PolarHBondContact OG-N 3.44Å; S124-G270 VanDerWaalsContact OG-N 3.12Å
125T89.7Confident96.1Very high37 Ų3713.4 Ų13.423%0.2277%0.065CC..THydrogen-bonded Turntrans-107-1.7-174.553.80000113.8G123 K154 V315G123-T125 VanDerWaalsContact C-N 3.28Å; G123-T125 PolarHBondContact O-N 3.47Å; T125-K154 WeakPolarHBondContact O-CG 3.4Å; T125-V315 HydrophobicContact CG2-CG2 3.81Å
126G94.1Very high95.8Very high1 Ų113 Ų131%0.016%0.064CC..EExtended strand (participates in β ladder)trans171154-176.500000111.6G123 R128 V153 G156G123-G126 CarbonylContact C-O 3.57Å; G123-G126 WeakPolarHBondContact CA-O 3.49Å; G123-G126 PolarHBondContact N-O 3.21Å; G123-G126 VanDerWaalsContact N-O 3.17Å; G123-G126 PolarHBondContact O-N 3.27Å; G123-G126 VanDerWaalsContact O-O 3.08Å; G126-R128 PolarHBondContact O-NH1 3.28Å; G126-V153 CarbonylContact C-O 3.56Å; G126-V153 WeakPolarHBondContact CA-O 3.46Å; G126-G156 VanDerWaalsContact CA-CA 3.48Å; G126-G156 VanDerWaalsContact N-CA 3.33Å
127T96.8Very high95.4Very high0 Ų018 Ų180%09%0.086CC..EExtended strand (participates in β ladder)trans-103136.8175.5-56.50000109.3F120 D121 V153 I171 L174F120-T127 HydrophobicContact CD1-CG2 4.33Å; D121-T127 CarbonylContact O-C 3.43Å; D121-T127 WeakPolarHBondContact O-CA 3.31Å; T127-V153 PolarHBondContact N-O 3Å; T127-V153 WeakPolarHBondContact O-CG2 3.39Å; T127-V153 PolarHBondContact O-N 2.84Å; T127-I171 HydrophobicContact CG2-CD1 3.89Å; T127-L174 HydrophobicContact CG2-CD1 3.83Å
128R97.4Very high94.6Very high47 Ų4719.9 Ų19.918%0.17710%0.096CC..EExtended strand (participates in β ladder)trans-125147.5-177-58.6163.8-168.270.315.1109.9F120 D121 G126 F150 H151 A152F120-R128 CarbonylContact C-O 3.55Å; F120-R128 VanDerWaalsContact CA-O 3.24Å; F120-R128 WeakPolarHBondContact CA-O 3.49Å; D121-R128 HydrophobicContact CB-CB 4.25Å; D121-R128 PolarHBondContact N-O 2.84Å; D121-R128 PolarHBondContact O-N 2.78Å; D121-R128 WeakPolarHBondContact OD2-CD 3.48Å; D121-R128 IonicContact OD2-CZ 3.61Å; D121-R128 IonicContact OD2-NE 3.53Å; D121-R128 IonicContact OD2-NH1 2.84Å; D121-R128 PolarHBondContact OD2-NH1 2.94Å; G126-R128 PolarHBondContact O-NH1 3.28Å; R128-F150 HydrophobicContact CB-CE2 3.89Å; R128-F150 HydrophobicContact CB-CZ 4.44Å; R128-F150 HydrophobicContact CG-CE2 3.97Å; R128-F150 HydrophobicContact CG-CZ 4.07Å; R128-H151 CarbonylContact C-O 3.59Å; R128-H151 VanDerWaalsContact CA-O 3.29Å; R128-H151 WeakPolarHBondContact CA-O 3.46Å; R128-A152 HydrophobicContact CG-CB 3.74Å
129I98.5Very high93.6Very high0 Ų024.7 Ų24.70%013%0.127CC..EExtended strand (participates in β ladder)trans-117129.9169.4-170.8177.3000108.7I118 F120 I131 M149 F150 H151 L174 A178I118-I129 HydrophobicContact CG2-CD1 3.84Å; I118-I129 HydrophobicContact CG2-CG1 3.84Å; F120-I129 HydrophobicContact CD1-CB 4.25Å; F120-I129 HydrophobicContact CD1-CG1 4.46Å; F120-I129 HydrophobicContact CD2-CG1 4.27Å; F120-I129 HydrophobicContact CE1-CB 4.06Å; F120-I129 HydrophobicContact CE1-CD1 4.09Å; F120-I129 HydrophobicContact CE1-CG1 4.14Å; F120-I129 HydrophobicContact CE2-CD1 3.75Å; F120-I129 HydrophobicContact CE2-CG1 3.9Å; F120-I129 HydrophobicContact CZ-CB 4.26Å; F120-I129 HydrophobicContact CZ-CD1 3.45Å; F120-I129 VanDerWaalsContact CZ-CD1 3.45Å; F120-I129 HydrophobicContact CZ-CG1 3.84Å; I129-I131 HydrophobicContact CD1-CD1 4.2Å; I129-I131 HydrophobicContact CD1-CG1 4.25Å; I129-I131 HydrophobicContact CG1-CG1 4.16Å; I129-M149 HydrophobicContact CG2-CE 4.41Å; I129-F150 WeakPolarHBondContact O-CA 3.45Å; I129-H151 HydrophobicContact CG2-CB 3.79Å; I129-H151 PolarHBondContact N-O 3.39Å; I129-H151 PolarHBondContact O-N 3.33Å; I129-L174 HydrophobicContact CB-CB 4.39Å; I129-L174 HydrophobicContact CD1-CB 4.39Å; I129-L174 WeakPolarHBondContact CD1-O 3.2Å; I129-L174 HydrophobicContact CG2-CB 4.34Å; I129-L174 HydrophobicContact CG2-CD2 3.89Å; I129-A178 HydrophobicContact CD1-CB 3.92Å
130H98.6Very high92.5Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-115.1129.5172.9-59.7-103.9000108.2I118 M119 Y132 E148 F150 A486I118-H130 CarbonylContact C-O 3.55Å; I118-H130 WeakPolarHBondContact CA-O 3.29Å; M119-H130 HydrophobicContact CB-CB 4.42Å; M119-H130 PolarHBondContact N-O 3.49Å; M119-H130 PolarHBondContact O-N 2.85Å; H130-Y132 HydrophobicContact CB-CD2 4.3Å; H130-Y132 HydrophobicContact CB-CE1 4.39Å; H130-Y132 HydrophobicContact CB-CE2 3.54Å; H130-Y132 AromaticContact ND1-CZ 3.96Å; H130-Y132 PolarHBondContact ND1-OH 3.02Å; H130-Y132 VanDerWaalsContact ND1-OH 3.16Å; H130-E148 IonicContact CE1-OE1 3.99Å; H130-E148 IonicContact CG-OE1 3.63Å; H130-E148 IonicContact ND1-OE1 3.77Å; H130-E148 PolarHBondContact ND1-OE1 3.3Å; H130-F150 AromaticContact CE1-CD2 3.42Å; H130-F150 VanDerWaalsContact CE1-CD2 3.42Å; H130-F150 WeakPolarHBondContact CE1-CD2 3.37Å; H130-F150 AromaticContact CE1-CE2 3.55Å; H130-F150 AromaticContact ND1-CD2 3.65Å; H130-F150 AromaticContact NE2-CD2 3.91Å; H130-F150 AromaticContact NE2-CE2 3.76Å; H130-A486 HydrophobicContact CB-CB 4.5Å
131I98.5Very high91.5Very high4 Ų436.2 Ų36.22%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-123.1107.6175.5-50.9-177.6000107.4G117 I118 I129 E148 M149 A178 T181 V182G117-I131 WeakPolarHBondContact O-CA 2.97Å; I118-I131 HydrophobicContact CG1-CG1 4.25Å; I118-I131 HydrophobicContact CG1-CG2 4.28Å; I118-I131 HydrophobicContact CG2-CG1 4.42Å; I129-I131 HydrophobicContact CD1-CD1 4.2Å; I129-I131 HydrophobicContact CD1-CG1 4.25Å; I129-I131 HydrophobicContact CG1-CG1 4.16Å; I131-E148 WeakPolarHBondContact O-CA 3.44Å; I131-M149 HydrophobicContact CB-CB 4.22Å; I131-M149 HydrophobicContact CB-CE 4.27Å; I131-M149 HydrophobicContact CD1-CE 3.21Å; I131-M149 HydrophobicContact CG1-CE 3.62Å; I131-M149 PolarHBondContact N-O 3.33Å; I131-M149 PolarHBondContact O-N 3.04Å; I131-A178 HydrophobicContact CD1-CB 3.56Å; I131-T181 HydrophobicContact CB-CG2 4.37Å; I131-T181 HydrophobicContact CD1-CG2 4.11Å; I131-T181 HydrophobicContact CG2-CG2 4.08Å; I131-V182 HydrophobicContact CG2-CG2 3.68Å
132Y98.3Very high90.6Very high0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-97.8136.5-178.1-59.3-68.6000109.9Y116 G117 M119 H130 F134 L145 N147 E148 V481 L487 T490Y116-Y132 CarbonylContact C-O 3.59Å; Y116-Y132 WeakPolarHBondContact CA-O 2.93Å; G117-Y132 PolarHBondContact N-O 3.18Å; G117-Y132 PolarHBondContact O-N 2.88Å; M119-Y132 HydrophobicContact CB-CE2 4.43Å; H130-Y132 HydrophobicContact CB-CD2 4.3Å; H130-Y132 HydrophobicContact CB-CE1 4.39Å; H130-Y132 HydrophobicContact CB-CE2 3.54Å; H130-Y132 AromaticContact ND1-CZ 3.96Å; H130-Y132 PolarHBondContact ND1-OH 3.02Å; H130-Y132 VanDerWaalsContact ND1-OH 3.16Å; Y132-F134 HydrophobicContact CG-CE2 4.23Å; Y132-F134 HydrophobicContact CG-CZ 4.1Å; Y132-L145 HydrophobicContact CD1-CD1 3.83Å; Y132-L145 HydrophobicContact CD1-CD2 4.4Å; Y132-L145 HydrophobicContact CG-CD1 4.34Å; Y132-N147 WeakPolarHBondContact CA-O 3.13Å; Y132-E148 HydrophobicContact CD1-CB 3.91Å; Y132-E148 HydrophobicContact CD1-CG 3.91Å; Y132-E148 HydrophobicContact CE1-CB 3.96Å; Y132-E148 HydrophobicContact CE1-CG 3.6Å; Y132-E148 VanDerWaalsContact CE1-OE1 3.32Å; Y132-E148 WeakPolarHBondContact CE1-OE1 3.44Å; Y132-E148 PolarHBondContact OH-OE1 3.44Å; Y132-V481 HydrophobicContact CE1-CG1 4.07Å; Y132-L487 HydrophobicContact CD1-CD1 3.94Å; Y132-L487 HydrophobicContact CD2-CD1 4.31Å; Y132-L487 HydrophobicContact CE1-CB 4.18Å; Y132-L487 HydrophobicContact CE1-CD1 3.89Å; Y132-L487 HydrophobicContact CE2-CB 4.39Å; Y132-L487 HydrophobicContact CE2-CD1 4.27Å; Y132-L487 HydrophobicContact CG-CD1 4.14Å; Y132-L487 PolarHBondContact OH-N 2.78Å; Y132-T490 HydrophobicContact CD2-CG2 4.01Å; Y132-T490 WeakPolarHBondContact CE2-OG1 3.32Å
133K96.9Very high90.1Very high63 Ų6336.9 Ų36.927%0.27419%0.193SC..EExtended strand (participates in β ladder)trans-109.4126.2168.6-178.7-179.4170.1-148.10108.7V114 Y116 D146 N147V114-K133 HydrophobicContact CG1-CD 4.47Å; V114-K133 HydrophobicContact CG1-CG 4.07Å; Y116-K133 HydrophobicContact CD1-CB 3.91Å; Y116-K133 HydrophobicContact CD1-CG 4.14Å; Y116-K133 HydrophobicContact CE1-CB 3.7Å; Y116-K133 HydrophobicContact CE1-CD 3.8Å; Y116-K133 HydrophobicContact CE1-CG 3.58Å; K133-D146 HydrophobicContact CB-CB 4.45Å; K133-D146 HydrophobicContact CD-CB 4.42Å; K133-D146 VanDerWaalsContact CD-OD2 3.26Å; K133-D146 WeakPolarHBondContact CD-OD2 3.38Å; K133-D146 VanDerWaalsContact CE-OD2 3.24Å; K133-D146 WeakPolarHBondContact CE-OD2 3.44Å; K133-D146 HydrophobicContact CG-CB 4.23Å; K133-D146 IonicContact NZ-OD2 2.9Å; K133-D146 PolarHBondContact NZ-OD2 2.95Å; K133-D146 WeakPolarHBondContact O-CB 3.5Å; K133-D146 PolarHBondContact O-N 3.07Å; K133-N147 PolarHBondContact N-O 2.99Å; K133-N147 PolarHBondContact O-N 2.94Å
134F95.2Very high90Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-117.8148.7-178.2-65.6-77000111.4V114 F115 Y132 P143 V144 L145 L487 T490 F491 F494V114-F134 WeakPolarHBondContact CA-O 3.41Å; F115-F134 HydrophobicContact CD1-CB 3.94Å; F115-F134 HydrophobicContact CD2-CB 4.19Å; F115-F134 HydrophobicContact CD2-CD2 4.15Å; F115-F134 HydrophobicContact CE1-CB 3.44Å; F115-F134 VanDerWaalsContact CE1-CB 3.44Å; F115-F134 HydrophobicContact CE1-CG 4.4Å; F115-F134 HydrophobicContact CE2-CB 3.75Å; F115-F134 AromaticContact CE2-CD2 3.67Å; F115-F134 HydrophobicContact CE2-CD2 3.67Å; F115-F134 AromaticContact CE2-CG 3.93Å; F115-F134 HydrophobicContact CE2-CG 3.93Å; F115-F134 HydrophobicContact CG-CB 4.28Å; F115-F134 HydrophobicContact CZ-CB 3.36Å; F115-F134 HydrophobicContact CZ-CD2 4.08Å; F115-F134 AromaticContact CZ-CG 3.84Å; F115-F134 HydrophobicContact CZ-CG 3.84Å; F115-F134 PolarHBondContact N-O 2.79Å; F115-F134 VanDerWaalsContact N-O 3.08Å; F115-F134 PolarHBondContact O-N 2.97Å; Y132-F134 HydrophobicContact CG-CE2 4.23Å; Y132-F134 HydrophobicContact CG-CZ 4.1Å; F134-P143 HydrophobicContact CB-CB 4.05Å; F134-P143 HydrophobicContact CD1-CB 4.07Å; F134-P143 HydrophobicContact CD1-CG 4.14Å; F134-P143 HydrophobicContact CG-CB 4.35Å; F134-V144 CarbonylContact C-O 3.5Å; F134-V144 WeakPolarHBondContact CA-O 3.42Å; F134-L145 HydrophobicContact CD1-CB 4.22Å; F134-L145 HydrophobicContact CD1-CD1 4.08Å; F134-L145 HydrophobicContact CE1-CB 4.03Å; F134-L145 HydrophobicContact CE1-CD1 3.69Å; F134-L145 HydrophobicContact CE1-CG 4.37Å; F134-L145 HydrophobicContact CZ-CD1 4.09Å; F134-L487 HydrophobicContact CE1-CD1 4.05Å; F134-L487 HydrophobicContact CZ-CD1 3.71Å; F134-T490 HydrophobicContact CE2-CG2 3.92Å; F134-T490 HydrophobicContact CZ-CG2 4.17Å; F134-F491 HydrophobicContact CD1-CE1 4.18Å; F134-F491 HydrophobicContact CD1-CZ 4.49Å; F134-F491 AromaticContact CE1-CE1 3.48Å; F134-F491 HydrophobicContact CE1-CE1 3.48Å; F134-F491 VanDerWaalsContact CE1-CE1 3.48Å; F134-F491 AromaticContact CE1-CZ 3.58Å; F134-F491 HydrophobicContact CE1-CZ 3.58Å; F134-F491 AromaticContact CZ-CE1 3.91Å; F134-F491 HydrophobicContact CZ-CE1 3.91Å; F134-F491 HydrophobicContact CZ-CZ 4.16Å; F134-F494 HydrophobicContact CD2-CE2 4.15Å; F134-F494 AromaticContact CE2-CE2 3.83Å; F134-F494 HydrophobicContact CE2-CE2 3.83Å
135I93.5Very high90.2Very high38 Ų3841 Ų4120%0.19522%0.215CC..EExtended strand (participates in β ladder)trans-120.8117172.2-57.9171.2000108.1V114 K137 V144 D146V114-I135 HydrophobicContact CG2-CG1 4.38Å; I135-K137 HydrophobicContact CG2-CG 4.4Å; I135-V144 PolarHBondContact N-O 3.23Å; I135-V144 PolarHBondContact O-N 2.82Å; I135-D146 HydrophobicContact CD1-CB 3.85Å; I135-D146 HydrophobicContact CG1-CB 4.03Å
136Q88.9Confident90.5Very high22 Ų2243 Ų4310%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-103.3111.7175.1-166.773.170.600109.8S112 R113 F115 D138 E141S112-Q136 CarbonylContact C-O 3.47Å; S112-Q136 WeakPolarHBondContact CA-O 3.37Å; R113-Q136 HydrophobicContact CB-CB 4.38Å; R113-Q136 PolarHBondContact N-O 2.73Å; R113-Q136 PolarHBondContact O-N 2.98Å; F115-Q136 HydrophobicContact CE1-CB 4.02Å; Q136-D138 PolarHBondContact NE2-O 3.26Å; Q136-E141 PolarHBondContact NE2-O 3.03Å
137K87.4Confident90.5Very high133 Ų13346.8 Ų46.858%0.57825%0.245SC*.SBendtrans-89.1-34.3176.2-61.2-173.8177.6179.10112.8I135I135-K137 HydrophobicContact CG2-CG 4.4Å
138D80.8Confident90.5Very high42 Ų4247.3 Ų47.323%0.22525%0.247CC..SBendtrans-132.8124.9177.3-171.8-50.1000108.8R110 Q136 V140 E141R110-D138 IonicContact NH1-OD2 3.65Å; Q136-D138 PolarHBondContact NE2-O 3.26Å; D138-V140 PolarHBondContact O-N 3.48Å; D138-V140 VanDerWaalsContact O-N 3.08Å; D138-V140 WeakPolarHBondContact OD1-CB 3.29Å; D138-V140 PolarHBondContact OD1-N 2.86Å; D138-E141 HydrophobicContact CB-CB 4.2Å; D138-E141 HydrophobicContact CB-CG 4.01Å; D138-E141 PolarHBondContact O-N 3.41Å; D138-E141 VanDerWaalsContact O-N 3.13Å
139P77.4Confident90.5Very high104 Ų10446.9 Ų46.968%0.67525%0.248SC*.THydrogen-bonded Turntrans-56-25.3-179.1-25.334.5000115.1R495P139-R495 PolarHBondContact O-NH1 3.29Å; P139-R495 PolarHBondContact O-NH2 3.33Å
140V75.6Confident90.4Very high123 Ų12349.5 Ų49.575%0.74526%0.259SS*.THydrogen-bonded Turntrans-80.5-33.4-178.8-174.90000111.4D138D138-V140 PolarHBondContact O-N 3.48Å; D138-V140 VanDerWaalsContact O-N 3.08Å; D138-V140 WeakPolarHBondContact OD1-CB 3.29Å; D138-V140 PolarHBondContact OD1-N 2.86Å
141E78.4Confident90.4Very high123 Ų12353.3 Ų53.358%0.57528%0.277SS*.SBendtrans-78.3165.2-177.6-66.6-171.9166.800113Q136 D138 R495Q136-E141 PolarHBondContact NE2-O 3.03Å; D138-E141 HydrophobicContact CB-CB 4.2Å; D138-E141 HydrophobicContact CB-CG 4.01Å; D138-E141 PolarHBondContact O-N 3.41Å; D138-E141 VanDerWaalsContact O-N 3.13Å; E141-R495 PolarHBondContact O-NH2 2.86Å
142L78.4Confident90.2Very high20 Ų2055.4 Ų55.411%0.10529%0.294CS..PPolyproline II helixtrans-61.2133.2167.4-97.2173000110.4F249 Y255 F298L142-F249 HydrophobicContact CD1-CD2 4Å; L142-F249 HydrophobicContact CD1-CE2 3.95Å; L142-F249 HydrophobicContact CD2-CD2 4.22Å; L142-F249 HydrophobicContact CD2-CE2 3.82Å; L142-F249 HydrophobicContact CG-CE2 4.34Å; L142-Y255 HydrophobicContact CB-CD1 4.22Å; L142-Y255 HydrophobicContact CB-CE1 3.5Å; L142-Y255 VanDerWaalsContact CB-CE1 3.5Å; L142-Y255 HydrophobicContact CD1-CD1 3.8Å; L142-Y255 HydrophobicContact CD1-CD2 4.5Å; L142-Y255 HydrophobicContact CD1-CE1 3.54Å; L142-Y255 HydrophobicContact CD1-CE2 4.29Å; L142-Y255 HydrophobicContact CD1-CG 4.3Å; L142-Y255 HydrophobicContact CG-CE1 4.17Å; L142-F298 HydrophobicContact CD1-CD2 4.25Å; L142-F298 HydrophobicContact CD1-CE1 4.28Å; L142-F298 HydrophobicContact CD1-CE2 3.49Å; L142-F298 VanDerWaalsContact CD1-CE2 3.49Å; L142-F298 HydrophobicContact CD1-CZ 3.59Å; L142-F298 HydrophobicContact CD2-CE1 3.54Å; L142-F298 HydrophobicContact CD2-CE2 3.85Å; L142-F298 HydrophobicContact CD2-CZ 3.03Å; L142-F298 HydrophobicContact CG-CD1 4.33Å; L142-F298 HydrophobicContact CG-CD2 4.47Å; L142-F298 HydrophobicContact CG-CE1 3.52Å; L142-F298 HydrophobicContact CG-CE2 3.68Å; L142-F298 HydrophobicContact CG-CZ 3.21Å
143P87.2Confident90.1Very high3 Ų357 Ų572%0.01930%0.304CS..PPolyproline II helixtrans-60.7146.4168.727.5-35.6000110.1F115 F134 F491F115-P143 HydrophobicContact CE1-CB 4.09Å; F115-P143 HydrophobicContact CZ-CB 3.87Å; F115-P143 HydrophobicContact CZ-CG 4.14Å; F134-P143 HydrophobicContact CB-CB 4.05Å; F134-P143 HydrophobicContact CD1-CB 4.07Å; F134-P143 HydrophobicContact CD1-CG 4.14Å; F134-P143 HydrophobicContact CG-CB 4.35Å; P143-F491 HydrophobicContact CG-CD1 4.42Å; P143-F491 HydrophobicContact CG-CE1 3.73Å
144V89.9Confident89.9Confident74 Ų7462.2 Ų62.245%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-81.1127169-179.80000107.6F134 I135 D146F134-V144 CarbonylContact C-O 3.5Å; F134-V144 WeakPolarHBondContact CA-O 3.42Å; I135-V144 PolarHBondContact N-O 3.23Å; I135-V144 PolarHBondContact O-N 2.82Å; V144-D146 PolarHBondContact O-N 2.88Å
145L93.6Very high89.8Confident28 Ų2864.8 Ų64.815%0.14734%0.344CS..EExtended strand (participates in β ladder)trans-75.4111.5169.6176.857.9000108.4Y132 F134 N147 F249 L250 V481 L487Y132-L145 HydrophobicContact CD1-CD1 3.83Å; Y132-L145 HydrophobicContact CD1-CD2 4.4Å; Y132-L145 HydrophobicContact CG-CD1 4.34Å; F134-L145 HydrophobicContact CD1-CB 4.22Å; F134-L145 HydrophobicContact CD1-CD1 4.08Å; F134-L145 HydrophobicContact CE1-CB 4.03Å; F134-L145 HydrophobicContact CE1-CD1 3.69Å; F134-L145 HydrophobicContact CE1-CG 4.37Å; F134-L145 HydrophobicContact CZ-CD1 4.09Å; L145-N147 WeakPolarHBondContact CD1-O 3.41Å; L145-F249 HydrophobicContact CB-CE1 4.07Å; L145-F249 HydrophobicContact CB-CZ 4.37Å; L145-F249 HydrophobicContact CD2-CE1 4.46Å; L145-L250 HydrophobicContact CD2-CD2 4.13Å; L145-V481 HydrophobicContact CD2-CB 4.39Å; L145-V481 HydrophobicContact CD2-CG1 4.08Å; L145-V481 HydrophobicContact CD2-CG2 3.51Å; L145-V481 HydrophobicContact CG-CG2 4.38Å; L145-L487 HydrophobicContact CD2-CD1 4.01Å; L145-L487 HydrophobicContact CD2-CD2 3.73Å
146D94.4Very high89.8Confident78 Ų7863 Ų6342%0.41734%0.335SS..EExtended strand (participates in β ladder)trans-81.2-47.9-179.3-176.159.3000110.7K133 I135 V144K133-D146 HydrophobicContact CB-CB 4.45Å; K133-D146 HydrophobicContact CD-CB 4.42Å; K133-D146 VanDerWaalsContact CD-OD2 3.26Å; K133-D146 WeakPolarHBondContact CD-OD2 3.38Å; K133-D146 VanDerWaalsContact CE-OD2 3.24Å; K133-D146 WeakPolarHBondContact CE-OD2 3.44Å; K133-D146 HydrophobicContact CG-CB 4.23Å; K133-D146 IonicContact NZ-OD2 2.9Å; K133-D146 PolarHBondContact NZ-OD2 2.95Å; K133-D146 WeakPolarHBondContact O-CB 3.5Å; K133-D146 PolarHBondContact O-N 3.07Å; I135-D146 HydrophobicContact CD1-CB 3.85Å; I135-D146 HydrophobicContact CG1-CB 4.03Å; V144-D146 PolarHBondContact O-N 2.88Å
147N94.6Very high90Very high81 Ų8162 Ų6243%0.43333%0.33SS..EExtended strand (participates in β ladder)trans-155.7156-178.4-170.837000113Y132 K133 L145Y132-N147 WeakPolarHBondContact CA-O 3.13Å; K133-N147 PolarHBondContact N-O 2.99Å; K133-N147 PolarHBondContact O-N 2.94Å; L145-N147 WeakPolarHBondContact CD1-O 3.41Å
148E97.3Very high90.2Very high11 Ų1155.8 Ų55.85%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-122126.1165.9178.3-168.9-13300109.6H130 I131 Y132 F150 V481 E482H130-E148 IonicContact CE1-OE1 3.99Å; H130-E148 IonicContact CG-OE1 3.63Å; H130-E148 IonicContact ND1-OE1 3.77Å; H130-E148 PolarHBondContact ND1-OE1 3.3Å; I131-E148 WeakPolarHBondContact O-CA 3.44Å; Y132-E148 HydrophobicContact CD1-CB 3.91Å; Y132-E148 HydrophobicContact CD1-CG 3.91Å; Y132-E148 HydrophobicContact CE1-CB 3.96Å; Y132-E148 HydrophobicContact CE1-CG 3.6Å; Y132-E148 VanDerWaalsContact CE1-OE1 3.32Å; Y132-E148 WeakPolarHBondContact CE1-OE1 3.44Å; Y132-E148 PolarHBondContact OH-OE1 3.44Å; E148-F150 HydrophobicContact CG-CB 4.34Å; E148-V481 HydrophobicContact CB-CG1 4.42Å; E148-V481 HydrophobicContact CB-CG2 4.34Å; E148-V481 VanDerWaalsContact OE2-CA 3.29Å; E148-V481 WeakPolarHBondContact OE2-CA 3.24Å; E148-E482 PolarHBondContact OE2-N 3.02Å
149M97.6Very high90.8Very high38 Ų3856 Ų5619%0.18730%0.303CS..EExtended strand (participates in β ladder)trans-94.9124.6157.7-167.6-68.1-61.300108.6I129 I131 H151 I177 T181I129-M149 HydrophobicContact CG2-CE 4.41Å; I131-M149 HydrophobicContact CB-CB 4.22Å; I131-M149 HydrophobicContact CB-CE 4.27Å; I131-M149 HydrophobicContact CD1-CE 3.21Å; I131-M149 HydrophobicContact CG1-CE 3.62Å; I131-M149 PolarHBondContact N-O 3.33Å; I131-M149 PolarHBondContact O-N 3.04Å; M149-H151 HydrophobicContact SD-CB 4.35Å; M149-I177 HydrophobicContact CE-CB 4.34Å; M149-I177 HydrophobicContact CE-CG2 3.38Å; M149-I177 HydrophobicContact SD-CG2 3.84Å; M149-T181 HydrophobicContact CB-CG2 3.72Å; M149-T181 HydrophobicContact CG-CG2 4Å
150F96.7Very high91.6Very high54 Ų5453.3 Ų53.324%0.23728%0.279CS..EExtended strand (participates in β ladder)trans-121.3133.1-178.2171.5-98.2000110.8R128 I129 H130 E148 A152 E482R128-F150 HydrophobicContact CB-CE2 3.89Å; R128-F150 HydrophobicContact CB-CZ 4.44Å; R128-F150 HydrophobicContact CG-CE2 3.97Å; R128-F150 HydrophobicContact CG-CZ 4.07Å; I129-F150 WeakPolarHBondContact O-CA 3.45Å; H130-F150 AromaticContact CE1-CD2 3.42Å; H130-F150 VanDerWaalsContact CE1-CD2 3.42Å; H130-F150 WeakPolarHBondContact CE1-CD2 3.37Å; H130-F150 AromaticContact CE1-CE2 3.55Å; H130-F150 AromaticContact ND1-CD2 3.65Å; H130-F150 AromaticContact NE2-CD2 3.91Å; H130-F150 AromaticContact NE2-CE2 3.76Å; E148-F150 HydrophobicContact CG-CB 4.34Å; F150-A152 HydrophobicContact CE1-CB 4.07Å; F150-A152 HydrophobicContact CZ-CB 3.84Å; F150-E482 HydrophobicContact CD2-CB 4.16Å; F150-E482 HydrophobicContact CD2-CG 4.21Å; F150-E482 HydrophobicContact CE2-CB 4.37Å; F150-E482 HydrophobicContact CE2-CG 3.91Å; F150-E482 HydrophobicContact CZ-CG 4.29Å
151H97.1Very high92.4Very high81 Ų8148.3 Ų48.338%0.37525%0.248SC..EExtended strand (participates in β ladder)trans-141.5148.9169.6-163.784.4000111.3R128 I129 M149 I177R128-H151 CarbonylContact C-O 3.59Å; R128-H151 VanDerWaalsContact CA-O 3.29Å; R128-H151 WeakPolarHBondContact CA-O 3.46Å; I129-H151 HydrophobicContact CG2-CB 3.79Å; I129-H151 PolarHBondContact N-O 3.39Å; I129-H151 PolarHBondContact O-N 3.33Å; M149-H151 HydrophobicContact SD-CB 4.35Å; H151-I177 HydrophobicContact CB-CD1 3.81Å; H151-I177 WeakPolarHBondContact CD2-CD1 3.35Å; H151-I177 VanDerWaalsContact CG-CD1 3.47Å
152A95.3Very high93.1Very high47 Ų4747.3 Ų47.339%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-139.7140.5-175.200000111.4R128 F150R128-A152 HydrophobicContact CG-CB 3.74Å; F150-A152 HydrophobicContact CE1-CB 4.07Å; F150-A152 HydrophobicContact CZ-CB 3.84Å
153V96.1Very high93.9Very high34 Ų3450.3 Ų50.321%0.20626%0.262CS..EExtended strand (participates in β ladder)trans-127.4157.6177.1-64.90000111.1G126 T127 T170 L174G126-V153 CarbonylContact C-O 3.56Å; G126-V153 WeakPolarHBondContact CA-O 3.46Å; T127-V153 PolarHBondContact N-O 3Å; T127-V153 WeakPolarHBondContact O-CG2 3.39Å; T127-V153 PolarHBondContact O-N 2.84Å; V153-T170 HydrophobicContact CG2-CG2 3.57Å; V153-L174 HydrophobicContact CG1-CD2 3.95Å; V153-L174 HydrophobicContact CG2-CD1 4Å; V153-L174 HydrophobicContact CG2-CD2 4.31Å; V153-L174 HydrophobicContact CG2-CG 4.37Å
154K93.6Very high94.4Very high172 Ų17251.5 Ų51.575%0.74827%0.27SS*.SBendtrans-129.8149.9173.6-63.2-171.5178.2173.30109T125T125-K154 WeakPolarHBondContact O-CG 3.4Å
155P92.6Very high94.8Very high55 Ų5553.6 Ų53.636%0.35728%0.275SS..SBendcis-71.5178.5-1.830-35.9000114.2E159 Y160P155-E159 HydrophobicContact CB-CB 3.82Å; P155-E159 HydrophobicContact CB-CG 3.61Å; P155-E159 HydrophobicContact CG-CB 4.06Å; P155-E159 HydrophobicContact CG-CG 4.39Å; P155-Y160 WeakPolarHBondContact CD-OH 3.42Å; P155-Y160 HydrophobicContact CG-CE1 4.18Å; P155-Y160 HydrophobicContact CG-CE2 4.2Å; P155-Y160 WeakPolarHBondContact CG-OH 3.44Å
156G92.4Very high94.9Very high1 Ų156.3 Ų56.31%0.0129%0.287CS..  trans-75.7160.6171.600000112G126 S158 E159G126-G156 VanDerWaalsContact CA-CA 3.48Å; G126-G156 VanDerWaalsContact N-CA 3.33Å; G156-S158 PolarHBondContact O-N 2.97Å; G156-S158 VanDerWaalsContact O-N 3.08Å; G156-E159 PolarHBondContact O-N 3.04Å
157L93.6Very high95Very high0 Ų052.7 Ų52.70%027%0.268CS..G310 helixtrans-57.3-30-173.8-151.579.1000113.5A122 E159 Y160 I171 L200 L211 V215A122-L157 HydrophobicContact CB-CB 4.31Å; A122-L157 HydrophobicContact CB-CD2 4.43Å; L157-E159 VanDerWaalsContact C-N 3.25Å; L157-E159 PolarHBondContact O-N 3.25Å; L157-Y160 PolarHBondContact O-N 3.21Å; L157-I171 HydrophobicContact CD1-CD1 4.11Å; L157-I171 HydrophobicContact CD1-CG1 4.27Å; L157-L200 HydrophobicContact CB-CD1 4.05Å; L157-L200 HydrophobicContact CD2-CD2 4.31Å; L157-L211 HydrophobicContact CD2-CB 4.34Å; L157-L211 HydrophobicContact CG-CD2 4.32Å; L157-L211 WeakPolarHBondContact O-CD1 3.48Å; L157-V215 HydrophobicContact CD2-CG2 3.79Å
158S92.1Very high95.2Very high2 Ų248.9 Ų48.91%0.01425%0.248CC..G310 helixtrans-65-23.1178.649.10000114.6G156 Y160 K161G156-S158 PolarHBondContact O-N 2.97Å; G156-S158 VanDerWaalsContact O-N 3.08Å; S158-Y160 PolarHBondContact O-N 2.97Å; S158-K161 WeakPolarHBondContact O-CB 3.45Å; S158-K161 PolarHBondContact O-N 3.34Å
159E92.4Very high95.2Very high47 Ų4750.5 Ų50.522%0.2226%0.257CS..G310 helixtrans-70.9-17177.1-63-58.5134.800112.2P155 G156 L157 K161 G354 G355P155-E159 HydrophobicContact CB-CB 3.82Å; P155-E159 HydrophobicContact CB-CG 3.61Å; P155-E159 HydrophobicContact CG-CB 4.06Å; P155-E159 HydrophobicContact CG-CG 4.39Å; G156-E159 PolarHBondContact O-N 3.04Å; L157-E159 VanDerWaalsContact C-N 3.25Å; L157-E159 PolarHBondContact O-N 3.25Å; E159-K161 VanDerWaalsContact C-N 3.32Å; E159-G354 WeakPolarHBondContact OE1-CA 3.38Å; E159-G354 PolarHBondContact OE1-N 2.89Å; E159-G355 VanDerWaalsContact CD-N 3.34Å; E159-G355 PolarHBondContact OE1-N 3.13Å; E159-G355 WeakPolarHBondContact OE2-CA 3.12Å; E159-G355 PolarHBondContact OE2-N 3.34Å
160Y94.6Very high95.2Very high47 Ų4749.2 Ų49.218%0.18425%0.251CS..G310 helixtrans-92.816.6177.1-53.9-65.9000112.8P155 L157 S158 D162 N163 E166 T170P155-Y160 WeakPolarHBondContact CD-OH 3.42Å; P155-Y160 HydrophobicContact CG-CE1 4.18Å; P155-Y160 HydrophobicContact CG-CE2 4.2Å; P155-Y160 WeakPolarHBondContact CG-OH 3.44Å; L157-Y160 PolarHBondContact O-N 3.21Å; S158-Y160 PolarHBondContact O-N 2.97Å; Y160-D162 PolarHBondContact O-N 3.01Å; Y160-N163 CarbonylContact O-C 3.59Å; Y160-N163 PolarHBondContact O-N 3.37Å; Y160-E166 HydrophobicContact CD1-CB 3.96Å; Y160-E166 HydrophobicContact CE1-CB 4.24Å; Y160-T170 PolarHBondContact OH-OG1 3.24Å
161K92.4Very high95.3Very high19 Ų1946.7 Ų46.78%0.08324%0.24CC..THydrogen-bonded Turntrans-52.6-32.6-177.371.4-179.7-176.6-172.90113.4S158 E159 L203 K207 G354 D356S158-K161 WeakPolarHBondContact O-CB 3.45Å; S158-K161 PolarHBondContact O-N 3.34Å; E159-K161 VanDerWaalsContact C-N 3.32Å; K161-L203 HydrophobicContact CB-CD1 3.97Å; K161-L203 HydrophobicContact CB-CD2 4.09Å; K161-L203 HydrophobicContact CD-CD2 3.7Å; K161-L203 HydrophobicContact CG-CD2 4.49Å; K161-K207 HydrophobicContact CB-CB 4.28Å; K161-K207 HydrophobicContact CB-CD 4.39Å; K161-K207 WeakPolarHBondContact O-CD 3.37Å; K161-G354 VanDerWaalsContact CD-O 3.27Å; K161-G354 WeakPolarHBondContact CD-O 3.2Å; K161-G354 VanDerWaalsContact CE-O 3.23Å; K161-G354 WeakPolarHBondContact CE-O 3.32Å; K161-G354 PolarHBondContact NZ-O 3.29Å; K161-D356 IonicContact NZ-OD1 2.65Å; K161-D356 PolarHBondContact NZ-OD1 3.02Å; K161-D356 IonicContact NZ-OD2 3.44Å; K161-D356 PolarHBondContact NZ-OD2 3.49Å
162D93.4Very high95.3Very high102 Ų10245.3 Ų45.355%0.54523%0.232SC..THydrogen-bonded Turntrans-97-6.8-179.5-61-48.7000113.6Y160 K207Y160-D162 PolarHBondContact O-N 3.01Å; D162-K207 IonicContact OD1-NZ 2.61Å; D162-K207 PolarHBondContact OD1-NZ 2.65Å
163N95.5Very high95.5Very high82 Ų8248.6 Ų48.644%0.43924%0.239SC..  trans-140.371.9172.2-169.99.8000111.3Y160 E165 E166Y160-N163 CarbonylContact O-C 3.59Å; Y160-N163 PolarHBondContact O-N 3.37Å; N163-E165 VanDerWaalsContact C-N 3.26Å; N163-E165 PolarHBondContact O-N 3.34Å; N163-E166 WeakPolarHBondContact ND2-CG 3.41Å; N163-E166 PolarHBondContact O-N 3.28Å
164P97.1Very high95.6Very high29 Ų2947.1 Ų47.119%0.18823%0.23CC..Hα-helixtrans-59-32.3-171.2-27.737.2000115E166 G167 G168 A210 L211 E214P164-E166 VanDerWaalsContact C-N 3.29Å; P164-E166 PolarHBondContact O-N 3.48Å; P164-G167 CarbonylContact O-C 3.53Å; P164-G167 VanDerWaalsContact O-CA 3.29Å; P164-G167 WeakPolarHBondContact O-CA 3.41Å; P164-G167 PolarHBondContact O-N 3.14Å; P164-G168 PolarHBondContact O-N 3.3Å; P164-A210 HydrophobicContact CB-CB 4.34Å; P164-A210 HydrophobicContact CG-CB 3.91Å; P164-L211 HydrophobicContact CB-CD2 3.96Å; P164-L211 HydrophobicContact CB-CG 4.35Å; P164-E214 HydrophobicContact CB-CG 3.77Å
165E97.8Very high95.8Very high118 Ų11839.2 Ų39.255%0.55120%0.196SC*.Hα-helixtrans-56.4-41.9179.6-174.3-178.717600111.8N163 G167 G168 N169N163-E165 VanDerWaalsContact C-N 3.26Å; N163-E165 PolarHBondContact O-N 3.34Å; E165-G167 VanDerWaalsContact C-N 3.28Å; E165-G167 PolarHBondContact O-N 3.19Å; E165-G168 CarbonylContact O-C 3.54Å; E165-G168 WeakPolarHBondContact O-CA 3.08Å; E165-G168 PolarHBondContact O-N 3.12Å; E165-N169 PolarHBondContact O-N 2.91Å
166E97.1Very high96.1Very high85 Ų8542.9 Ų42.940%0.39721%0.206SC..Hα-helixtrans-65.8-32.1175.5-73.4-61.2112.100112.5Y160 N163 P164 N169 T170Y160-E166 HydrophobicContact CD1-CB 3.96Å; Y160-E166 HydrophobicContact CE1-CB 4.24Å; N163-E166 WeakPolarHBondContact ND2-CG 3.41Å; N163-E166 PolarHBondContact O-N 3.28Å; P164-E166 VanDerWaalsContact C-N 3.29Å; P164-E166 PolarHBondContact O-N 3.48Å; E166-N169 PolarHBondContact O-N 3.5Å; E166-N169 PolarHBondContact OE1-ND2 3.37Å; E166-T170 PolarHBondContact O-N 3.03Å; E166-T170 PolarHBondContact O-OG1 3.4Å
167G96.2Very high96.4Very high1 Ų144.8 Ų44.81%0.0122%0.215CC..Hα-helixtrans-61.2-45.3168.500000111.7P164 E165 T170 I171P164-G167 CarbonylContact O-C 3.53Å; P164-G167 VanDerWaalsContact O-CA 3.29Å; P164-G167 WeakPolarHBondContact O-CA 3.41Å; P164-G167 PolarHBondContact O-N 3.14Å; E165-G167 VanDerWaalsContact C-N 3.28Å; E165-G167 PolarHBondContact O-N 3.19Å; G167-T170 WeakPolarHBondContact O-CB 3.26Å; G167-T170 PolarHBondContact O-N 3.47Å; G167-I171 PolarHBondContact O-N 3.01Å
168G97.9Very high96.6Very high1 Ų144.8 Ų44.81%0.0122%0.215CC..Hα-helixtrans-60.4-43.9172.900000112.8P164 E165 T170 I171 R172P164-G168 PolarHBondContact O-N 3.3Å; E165-G168 CarbonylContact O-C 3.54Å; E165-G168 WeakPolarHBondContact O-CA 3.08Å; E165-G168 PolarHBondContact O-N 3.12Å; G168-T170 VanDerWaalsContact C-N 3.28Å; G168-T170 PolarHBondContact O-N 3.44Å; G168-I171 WeakPolarHBondContact O-CA 3.46Å; G168-I171 WeakPolarHBondContact O-CB 3.17Å; G168-I171 PolarHBondContact O-N 3.03Å; G168-R172 PolarHBondContact O-N 3.38Å
169N98.1Very high96.9Very high46 Ų4648.7 Ų48.725%0.24623%0.232CC..Hα-helixtrans-59.5-38.4176.8-71.4-22.1000112.3E165 E166 I171 R172 Q173E165-N169 PolarHBondContact O-N 2.91Å; E166-N169 PolarHBondContact O-N 3.5Å; E166-N169 PolarHBondContact OE1-ND2 3.37Å; N169-I171 VanDerWaalsContact C-N 3.32Å; N169-I171 PolarHBondContact O-N 2.9Å; N169-R172 PolarHBondContact O-N 3.33Å; N169-R172 PolarHBondContact OD1-NH1 3.28Å; N169-Q173 WeakPolarHBondContact O-CG 3.35Å; N169-Q173 PolarHBondContact O-N 3.25Å
170T96.9Very high97.2Very high11 Ų1155.2 Ų55.27%0.06726%0.26CS..Hα-helixtrans-59.5-42.3172.6-58.30000111.6V153 Y160 E166 G167 G168 Q173 L174V153-T170 HydrophobicContact CG2-CG2 3.57Å; Y160-T170 PolarHBondContact OH-OG1 3.24Å; E166-T170 PolarHBondContact O-N 3.03Å; E166-T170 PolarHBondContact O-OG1 3.4Å; G167-T170 WeakPolarHBondContact O-CB 3.26Å; G167-T170 PolarHBondContact O-N 3.47Å; G168-T170 VanDerWaalsContact C-N 3.28Å; G168-T170 PolarHBondContact O-N 3.44Å; T170-Q173 PolarHBondContact O-N 3.35Å; T170-L174 PolarHBondContact O-N 2.65Å
171I98.6Very high97.3Very high0 Ų055.5 Ų55.50%027%0.267CS..Hα-helixtrans-65.7-45.2176.2-59.2-52.6000111.4F120 T127 L157 G167 G168 N169 Q173 L174 L175 L194 V215 A218 F219F120-I171 HydrophobicContact CD1-CD1 4.08Å; F120-I171 HydrophobicContact CE1-CD1 4.2Å; F120-I171 HydrophobicContact CE1-CG2 4.18Å; F120-I171 HydrophobicContact CZ-CG2 4.33Å; T127-I171 HydrophobicContact CG2-CD1 3.89Å; L157-I171 HydrophobicContact CD1-CD1 4.11Å; L157-I171 HydrophobicContact CD1-CG1 4.27Å; G167-I171 PolarHBondContact O-N 3.01Å; G168-I171 WeakPolarHBondContact O-CA 3.46Å; G168-I171 WeakPolarHBondContact O-CB 3.17Å; G168-I171 PolarHBondContact O-N 3.03Å; N169-I171 VanDerWaalsContact C-N 3.32Å; N169-I171 PolarHBondContact O-N 2.9Å; I171-Q173 VanDerWaalsContact C-N 3.26Å; I171-Q173 PolarHBondContact O-N 3.44Å; I171-L174 PolarHBondContact O-N 3.09Å; I171-L174 VanDerWaalsContact O-N 3.14Å; I171-L175 HydrophobicContact CG2-CD1 4.02Å; I171-L175 HydrophobicContact CG2-CG 4.33Å; I171-L175 WeakPolarHBondContact O-CG 3.24Å; I171-L175 PolarHBondContact O-N 3.25Å; I171-L194 HydrophobicContact CD1-CD1 3.81Å; I171-V215 HydrophobicContact CG1-CG1 4.47Å; I171-V215 HydrophobicContact CG1-CG2 4.01Å; I171-A218 HydrophobicContact CB-CB 4.21Å; I171-A218 HydrophobicContact CG2-CB 3.96Å; I171-F219 HydrophobicContact CG2-CD1 3.97Å; I171-F219 HydrophobicContact CG2-CE1 3.61Å
172R98.4Very high97.6Very high53 Ų5354.8 Ų54.820%0.226%0.264CS..Hα-helixtrans-56.7-40176.6-67.4179.7-17992.86111.9G168 N169 L175 K176 A218 E221G168-R172 PolarHBondContact O-N 3.38Å; N169-R172 PolarHBondContact O-N 3.33Å; N169-R172 PolarHBondContact OD1-NH1 3.28Å; R172-L175 PolarHBondContact O-N 3.22Å; R172-K176 PolarHBondContact O-N 3.4Å; R172-A218 HydrophobicContact CG-CB 3.73Å; R172-E221 IonicContact CZ-OE1 3.84Å; R172-E221 IonicContact CZ-OE2 2.74Å; R172-E221 IonicContact NE-OE1 3.6Å; R172-E221 IonicContact NE-OE2 3.85Å; R172-E221 PolarHBondContact NE-OE2 2.95Å; R172-E221 IonicContact NH2-OE1 2.81Å; R172-E221 PolarHBondContact NH2-OE1 2.93Å; R172-E221 IonicContact NH2-OE2 3.79Å
173Q97.8Very high97.8Very high116 Ų11652 Ų5254%0.54225%0.251SS..Hα-helixtrans-63.7-45.2176.4-72.3175.7-100112.3N169 T170 I171 L175 K176N169-Q173 WeakPolarHBondContact O-CG 3.35Å; N169-Q173 PolarHBondContact O-N 3.25Å; T170-Q173 PolarHBondContact O-N 3.35Å; I171-Q173 VanDerWaalsContact C-N 3.26Å; I171-Q173 PolarHBondContact O-N 3.44Å; Q173-L175 VanDerWaalsContact C-N 3.34Å; Q173-L175 PolarHBondContact O-N 3.16Å; Q173-K176 WeakPolarHBondContact O-CB 3.33Å; Q173-K176 PolarHBondContact O-N 2.97Å
174L98.4Very high97.9Very high2 Ų254.6 Ų54.61%0.0126%0.261CS..Hα-helixtrans-65.4-36.7176.9-70.4175.4000112.2F120 T127 I129 V153 T170 I171 K176 I177 A178F120-L174 HydrophobicContact CD1-CD1 4.02Å; F120-L174 HydrophobicContact CE1-CB 3.49Å; F120-L174 VanDerWaalsContact CE1-CB 3.49Å; F120-L174 HydrophobicContact CE1-CD1 3.64Å; F120-L174 HydrophobicContact CE1-CG 4.22Å; F120-L174 HydrophobicContact CZ-CB 3.96Å; T127-L174 HydrophobicContact CG2-CD1 3.83Å; I129-L174 HydrophobicContact CB-CB 4.39Å; I129-L174 HydrophobicContact CD1-CB 4.39Å; I129-L174 WeakPolarHBondContact CD1-O 3.2Å; I129-L174 HydrophobicContact CG2-CB 4.34Å; I129-L174 HydrophobicContact CG2-CD2 3.89Å; V153-L174 HydrophobicContact CG1-CD2 3.95Å; V153-L174 HydrophobicContact CG2-CD1 4Å; V153-L174 HydrophobicContact CG2-CD2 4.31Å; V153-L174 HydrophobicContact CG2-CG 4.37Å; T170-L174 PolarHBondContact O-N 2.65Å; I171-L174 PolarHBondContact O-N 3.09Å; I171-L174 VanDerWaalsContact O-N 3.14Å; L174-K176 PolarHBondContact O-N 2.89Å; L174-I177 HydrophobicContact CD2-CD1 4.08Å; L174-I177 VanDerWaalsContact O-CB 3.28Å; L174-I177 WeakPolarHBondContact O-CB 3.49Å; L174-I177 PolarHBondContact O-N 3.12Å; L174-A178 PolarHBondContact O-N 3.35Å
175L98.7Very high97.9Very high6 Ų660 Ų603%0.03128%0.283CS..Hα-helixtrans-61.7-28.6174.1-73.3168.4000112.8F120 I171 R172 Q173 I177 A178 K179 V192 A218 F219 F224F120-L175 HydrophobicContact CE2-CD2 3.89Å; F120-L175 HydrophobicContact CE2-CG 4.47Å; F120-L175 HydrophobicContact CZ-CD2 3.84Å; F120-L175 HydrophobicContact CZ-CG 3.95Å; I171-L175 HydrophobicContact CG2-CD1 4.02Å; I171-L175 HydrophobicContact CG2-CG 4.33Å; I171-L175 WeakPolarHBondContact O-CG 3.24Å; I171-L175 PolarHBondContact O-N 3.25Å; R172-L175 PolarHBondContact O-N 3.22Å; Q173-L175 VanDerWaalsContact C-N 3.34Å; Q173-L175 PolarHBondContact O-N 3.16Å; L175-I177 PolarHBondContact O-N 2.79Å; L175-A178 WeakPolarHBondContact O-CB 3.36Å; L175-A178 PolarHBondContact O-N 3.49Å; L175-A178 VanDerWaalsContact O-N 3.14Å; L175-K179 WeakPolarHBondContact O-CG 3.5Å; L175-K179 PolarHBondContact O-N 2.98Å; L175-V192 HydrophobicContact CD2-CG2 4.01Å; L175-A218 HydrophobicContact CD1-CB 4.42Å; L175-A218 WeakPolarHBondContact CD1-O 3.45Å; L175-F219 HydrophobicContact CD1-CD1 4.13Å; L175-F219 HydrophobicContact CD2-CD1 4.5Å; L175-F219 HydrophobicContact CD2-CE1 4.42Å; L175-F224 HydrophobicContact CD2-CD2 4.2Å; L175-F224 HydrophobicContact CD2-CE2 4.45Å
176K98.4Very high97.9Very high132 Ų13256.1 Ų56.157%0.57427%0.265SS*.Hα-helixtrans-63.1-33.4172.2-64.7174.5-177179.20111.8R172 Q173 L174 A178 K180R172-K176 PolarHBondContact O-N 3.4Å; Q173-K176 WeakPolarHBondContact O-CB 3.33Å; Q173-K176 PolarHBondContact O-N 2.97Å; L174-K176 PolarHBondContact O-N 2.89Å; K176-A178 VanDerWaalsContact C-N 3.33Å; K176-K180 WeakPolarHBondContact O-CG 3.38Å; K176-K180 PolarHBondContact O-N 3.06Å
177I97.9Very high98Very high41 Ų4154.2 Ų54.221%0.2126%0.255CS..Hα-helixtrans-67.5-40.1174.7-49.3179000109.5M149 H151 L174 L175 K180 T181M149-I177 HydrophobicContact CE-CB 4.34Å; M149-I177 HydrophobicContact CE-CG2 3.38Å; M149-I177 HydrophobicContact SD-CG2 3.84Å; H151-I177 HydrophobicContact CB-CD1 3.81Å; H151-I177 WeakPolarHBondContact CD2-CD1 3.35Å; H151-I177 VanDerWaalsContact CG-CD1 3.47Å; L174-I177 HydrophobicContact CD2-CD1 4.08Å; L174-I177 VanDerWaalsContact O-CB 3.28Å; L174-I177 WeakPolarHBondContact O-CB 3.49Å; L174-I177 PolarHBondContact O-N 3.12Å; L175-I177 PolarHBondContact O-N 2.79Å; I177-K180 PolarHBondContact O-N 3.41Å; I177-T181 WeakPolarHBondContact O-CB 3.37Å; I177-T181 PolarHBondContact O-N 3.41Å; I177-T181 VanDerWaalsContact O-N 3.12Å; I177-T181 PolarHBondContact O-OG1 2.86Å
178A98.4Very high98Very high0 Ų064.7 Ų64.70%029%0.294CS..Hα-helixtrans-62.1-43.9175.800000113.5I118 I129 I131 L174 L175 K176 K180 T181 V182 F224I118-A178 HydrophobicContact CD1-CB 3.79Å; I118-A178 HydrophobicContact CG1-CB 4.42Å; I129-A178 HydrophobicContact CD1-CB 3.92Å; I131-A178 HydrophobicContact CD1-CB 3.56Å; L174-A178 PolarHBondContact O-N 3.35Å; L175-A178 WeakPolarHBondContact O-CB 3.36Å; L175-A178 PolarHBondContact O-N 3.49Å; L175-A178 VanDerWaalsContact O-N 3.14Å; K176-A178 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 2.92Å; A178-T181 PolarHBondContact O-N 3.47Å; A178-V182 PolarHBondContact O-N 3.24Å; A178-F224 HydrophobicContact CB-CE2 3.65Å; A178-F224 HydrophobicContact CB-CZ 3.68Å
179K98.4Very high97.9Very high84 Ų8471.2 Ų71.237%0.36532%0.318SS..Hα-helixtrans-58.6-33.9175-68.5-179.6-177.7-169.30112.8L175 W187 P223 F224L175-K179 WeakPolarHBondContact O-CG 3.5Å; L175-K179 PolarHBondContact O-N 2.98Å; K179-W187 HydrophobicContact CB-CH2 4.38Å; K179-W187 HydrophobicContact CB-CZ2 3.87Å; K179-W187 HydrophobicContact CG-CH2 4.44Å; K179-W187 HydrophobicContact CG-CZ2 4.18Å; K179-W187 WeakPolarHBondContact O-CZ2 3.32Å; K179-P223 HydrophobicContact CD-CG 4.48Å; K179-P223 HydrophobicContact CG-CG 4.37Å; K179-F224 HydrophobicContact CG-CE2 4Å; K179-F224 HydrophobicContact CG-CZ 4.15Å
180K98.1Very high97.9Very high185 Ų18569.1 Ų69.180%0.80431%0.307SS*.Hα-helixtrans-77.4-20.4176.6-69.3178.7-179.8-174.30113.7K176 I177 A178K176-K180 WeakPolarHBondContact O-CG 3.38Å; K176-K180 PolarHBondContact O-N 3.06Å; I177-K180 PolarHBondContact O-N 3.41Å; A178-K180 PolarHBondContact O-N 2.92Å
181T98.1Very high97.9Very high53 Ų5369 Ų6933%0.32531%0.306SS..Hα-helixtrans-99.5-41.2-172.1-54.10000112.2I131 M149 I177 A178I131-T181 HydrophobicContact CB-CG2 4.37Å; I131-T181 HydrophobicContact CD1-CG2 4.11Å; I131-T181 HydrophobicContact CG2-CG2 4.08Å; M149-T181 HydrophobicContact CB-CG2 3.72Å; M149-T181 HydrophobicContact CG-CG2 4Å; I177-T181 WeakPolarHBondContact O-CB 3.37Å; I177-T181 PolarHBondContact O-N 3.41Å; I177-T181 VanDerWaalsContact O-N 3.12Å; I177-T181 PolarHBondContact O-OG1 2.86Å; A178-T181 PolarHBondContact O-N 3.47Å
182V98.3Very high97.9Very high4 Ų469 Ų692%0.02431%0.306CS..SBendtrans-89.9130.8-179.2-175.70000108.8Y116 I118 I131 A178 E186 W187 T190 F224Y116-V182 HydrophobicContact CD1-CG1 4.47Å; Y116-V182 HydrophobicContact CD1-CG2 4.36Å; Y116-V182 HydrophobicContact CD2-CG1 4.19Å; Y116-V182 HydrophobicContact CG-CG1 4.1Å; I118-V182 HydrophobicContact CD1-CG2 4.41Å; I131-V182 HydrophobicContact CG2-CG2 3.68Å; A178-V182 PolarHBondContact O-N 3.24Å; V182-E186 HydrophobicContact CG1-CB 3.97Å; V182-W187 PolarHBondContact O-NE1 3.05Å; V182-T190 HydrophobicContact CG1-CG2 4.42Å; V182-T190 HydrophobicContact CG2-CG2 4.44Å; V182-F224 HydrophobicContact CB-CE1 4.08Å; V182-F224 HydrophobicContact CG1-CE1 4.32Å; V182-F224 HydrophobicContact CG2-CE1 4.25Å
183P97.9Very high97.9Very high42 Ų4266.6 Ų66.627%0.27330%0.298SS..  trans-56.6143.1173.8-23.433.8000112.2E185 E186 W187P183-E185 VanDerWaalsContact C-N 3.27Å; P183-E185 HydrophobicContact CB-CG 4.32Å; P183-E185 WeakPolarHBondContact CB-OE1 3.09Å; P183-E185 WeakPolarHBondContact CB-OE2 3.43Å; P183-E185 PolarHBondContact O-N 3.1Å; P183-E186 PolarHBondContact O-N 3.44Å; P183-W187 PolarHBondContact O-N 2.7Å; P183-W187 PolarHBondContact O-NE1 2.85Å
184E98Very high97.9Very high138 Ų13861.1 Ų61.165%0.64527%0.272SS*.G310 helixtrans-60.4-37.5-172.2-177.4169176.800112.5E186 W187E184-E186 PolarHBondContact O-N 3.38Å; E184-W187 HydrophobicContact CB-CD2 4.34Å; E184-W187 HydrophobicContact CB-CH2 4.39Å; E184-W187 HydrophobicContact CB-CZ2 4.18Å; E184-W187 HydrophobicContact CG-CD2 4.11Å; E184-W187 HydrophobicContact CG-CE3 3.82Å; E184-W187 HydrophobicContact CG-CH2 4.02Å; E184-W187 HydrophobicContact CG-CZ2 4.27Å; E184-W187 HydrophobicContact CG-CZ3 3.79Å; E184-W187 WeakPolarHBondContact O-CB 3.09Å; E184-W187 PolarHBondContact O-N 3.36Å; E184-W187 VanDerWaalsContact O-N 3.16Å
185E97.3Very high97.8Very high141 Ų14163 Ų6366%0.65928%0.28SS*.G310 helixtrans-61.7-22.6176.265.3-85.2-162.100113.5P183P183-E185 VanDerWaalsContact C-N 3.27Å; P183-E185 HydrophobicContact CB-CG 4.32Å; P183-E185 WeakPolarHBondContact CB-OE1 3.09Å; P183-E185 WeakPolarHBondContact CB-OE2 3.43Å; P183-E185 PolarHBondContact O-N 3.1Å
186E97.3Very high97.7Very high37 Ų3762.8 Ų62.817%0.17328%0.279CS..G310 helixtrans-96.8-7.6179.9-70.1-61.2143.800113.4Y116 V182 P183 E184 R188 R189 T190Y116-E186 HydrophobicContact CD2-CB 4.09Å; Y116-E186 HydrophobicContact CD2-CG 4.17Å; Y116-E186 HydrophobicContact CE2-CB 4.25Å; Y116-E186 HydrophobicContact CE2-CG 3.97Å; V182-E186 HydrophobicContact CG1-CB 3.97Å; P183-E186 PolarHBondContact O-N 3.44Å; E184-E186 PolarHBondContact O-N 3.38Å; E186-R188 PolarHBondContact O-N 2.84Å; E186-R189 PolarHBondContact O-N 3.39Å; E186-R189 VanDerWaalsContact O-N 3.09Å; E186-R189 IonicContact OE1-NH1 3.59Å; E186-R189 IonicContact OE2-NH1 2.76Å; E186-T190 WeakPolarHBondContact O-CB 3.35Å; E186-T190 PolarHBondContact O-N 3.11Å; E186-T190 PolarHBondContact O-OG1 2.93Å
187W98Very high97.5Very high46 Ų4656.8 Ų56.817%0.17425%0.253CS..G310 helixtrans-55.7-51.6-175.2-71.9-0.4000112.2K179 V182 P183 E184 R189 T190 P223 F224 Y225K179-W187 HydrophobicContact CB-CH2 4.38Å; K179-W187 HydrophobicContact CB-CZ2 3.87Å; K179-W187 HydrophobicContact CG-CH2 4.44Å; K179-W187 HydrophobicContact CG-CZ2 4.18Å; K179-W187 WeakPolarHBondContact O-CZ2 3.32Å; V182-W187 PolarHBondContact O-NE1 3.05Å; P183-W187 PolarHBondContact O-N 2.7Å; P183-W187 PolarHBondContact O-NE1 2.85Å; E184-W187 HydrophobicContact CB-CD2 4.34Å; E184-W187 HydrophobicContact CB-CH2 4.39Å; E184-W187 HydrophobicContact CB-CZ2 4.18Å; E184-W187 HydrophobicContact CG-CD2 4.11Å; E184-W187 HydrophobicContact CG-CE3 3.82Å; E184-W187 HydrophobicContact CG-CH2 4.02Å; E184-W187 HydrophobicContact CG-CZ2 4.27Å; E184-W187 HydrophobicContact CG-CZ3 3.79Å; E184-W187 WeakPolarHBondContact O-CB 3.09Å; E184-W187 PolarHBondContact O-N 3.36Å; E184-W187 VanDerWaalsContact O-N 3.16Å; W187-R189 PolarHBondContact O-N 3.17Å; W187-T190 PolarHBondContact O-N 3.21Å; W187-T190 VanDerWaalsContact O-N 3.12Å; W187-P223 CarbonylContact C-O 3.53Å; W187-P223 HydrophobicContact CB-CB 4.24Å; W187-P223 HydrophobicContact CB-CG 4.35Å; W187-P223 HydrophobicContact CD2-CB 4.16Å; W187-P223 HydrophobicContact CD2-CG 3.71Å; W187-P223 HydrophobicContact CE3-CB 3.48Å; W187-P223 VanDerWaalsContact CE3-CB 3.48Å; W187-P223 HydrophobicContact CE3-CG 3.3Å; W187-P223 HydrophobicContact CG-CG 4.2Å; W187-P223 HydrophobicContact CZ3-CB 4.21Å; W187-P223 HydrophobicContact CZ3-CG 3.87Å; W187-F224 HydrophobicContact CB-CD1 4.17Å; W187-F224 HydrophobicContact CB-CE1 4.18Å; W187-F224 AromaticContact CD1-CE1 3.48Å; W187-F224 VanDerWaalsContact CD1-CE1 3.48Å; W187-F224 HydrophobicContact CG-CD1 4.31Å; W187-F224 AromaticContact CG-CE1 3.84Å; W187-F224 HydrophobicContact CG-CE1 3.84Å; W187-F224 HydrophobicContact CG-CZ 4.42Å; W187-F224 WeakPolarHBondContact O-CA 3.4Å; W187-Y225 PolarHBondContact O-N 3.32Å
188R97.3Very high97.2Very high221 Ų22154.9 Ų54.983%0.83424%0.244SC*.G310 helixtrans-65.4-11.1-177.7-64.2-173.1-178-168.61.3114.5E186E186-R188 PolarHBondContact O-N 2.84Å
189R95.3Very high96.7Very high138 Ų13855.1 Ų55.152%0.52125%0.246SC..G310 helixtrans-110.2-13.2-179.9-59176.574.5-166.18.6112.6E186 W187 P191E186-R189 PolarHBondContact O-N 3.39Å; E186-R189 VanDerWaalsContact O-N 3.09Å; E186-R189 IonicContact OE1-NH1 3.59Å; E186-R189 IonicContact OE2-NH1 2.76Å; W187-R189 PolarHBondContact O-N 3.17Å; R189-P191 WeakPolarHBondContact O-CD 3.49Å
190T97.5Very high96.4Very high1 Ų151.2 Ų51.21%0.00623%0.229CC..SBendtrans-87.7112-176.6-62.10000109.1I118 V182 E186 W187 F224 Y225I118-T190 HydrophobicContact CD1-CG2 3.74Å; I118-T190 HydrophobicContact CG1-CG2 3.8Å; V182-T190 HydrophobicContact CG1-CG2 4.42Å; V182-T190 HydrophobicContact CG2-CG2 4.44Å; E186-T190 WeakPolarHBondContact O-CB 3.35Å; E186-T190 PolarHBondContact O-N 3.11Å; E186-T190 PolarHBondContact O-OG1 2.93Å; W187-T190 PolarHBondContact O-N 3.21Å; W187-T190 VanDerWaalsContact O-N 3.12Å; T190-F224 HydrophobicContact CG2-CD1 4.25Å; T190-Y225 PolarHBondContact O-N 3.43Å
191P97.4Very high96.1Very high9 Ų944.8 Ų44.86%0.05820%0.2CC..BIsolated β-bridgetrans-67.8141177.428.1-33.8000111.1Y116 I118 R189 Y225 P227 F493 F494Y116-P191 WeakPolarHBondContact O-CD 3.2Å; I118-P191 PolarHBondContact N-O 3.3Å; R189-P191 WeakPolarHBondContact O-CD 3.49Å; P191-Y225 CarbonylContact C-O 3.46Å; P191-Y225 VanDerWaalsContact CA-O 3.27Å; P191-Y225 WeakPolarHBondContact CA-O 3.24Å; P191-Y225 HydrophobicContact CB-CD1 4.08Å; P191-P227 HydrophobicContact CB-CG 4.39Å; P191-F493 HydrophobicContact CB-CD1 4.36Å; P191-F493 HydrophobicContact CB-CE1 3.58Å; P191-F493 HydrophobicContact CB-CZ 4.08Å; P191-F493 HydrophobicContact CG-CD1 4.27Å; P191-F493 HydrophobicContact CG-CE1 3.78Å; P191-F494 HydrophobicContact CG-CE1 3.62Å; P191-F494 HydrophobicContact CG-CZ 3.97Å
192V98.4Very high95.6Very high0 Ų046 Ų460%020%0.204CC..EExtended strand (participates in β ladder)trans-114.9124.3168.9650000110.4I118 F120 L175 F219 F224 Y225 V226 S230I118-V192 HydrophobicContact CB-CB 4.27Å; I118-V192 HydrophobicContact CB-CG2 4.11Å; I118-V192 HydrophobicContact CG2-CG2 3.87Å; F120-V192 HydrophobicContact CD2-CG2 4.09Å; F120-V192 HydrophobicContact CE2-CG2 3.75Å; L175-V192 HydrophobicContact CD2-CG2 4.01Å; V192-F219 HydrophobicContact CB-CE2 4.49Å; V192-F219 HydrophobicContact CG1-CB 4.39Å; V192-F219 HydrophobicContact CG1-CD2 3.93Å; V192-F219 HydrophobicContact CG1-CE2 4.29Å; V192-F219 HydrophobicContact CG1-CG 4.08Å; V192-F219 HydrophobicContact CG2-CD1 4.22Å; V192-F219 HydrophobicContact CG2-CD2 4.2Å; V192-F219 HydrophobicContact CG2-CE1 3.8Å; V192-F219 HydrophobicContact CG2-CE2 3.81Å; V192-F219 HydrophobicContact CG2-CG 4.38Å; V192-F219 HydrophobicContact CG2-CZ 3.57Å; V192-F224 HydrophobicContact CB-CB 4.04Å; V192-F224 HydrophobicContact CG1-CB 3.82Å; V192-Y225 PolarHBondContact N-O 3.38Å; V192-V226 HydrophobicContact CG1-CG2 3.97Å; V192-S230 WeakPolarHBondContact O-CB 3.38Å
193V98.3Very high95.1Very high3 Ų346.9 Ų46.92%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-135141.6-173.8-177.80000109I118 M119 F120 K195 P227 S230 F493I118-V193 PolarHBondContact O-N 2.94Å; M119-V193 CarbonylContact C-O 3.58Å; M119-V193 WeakPolarHBondContact CA-O 3.18Å; M119-V193 HydrophobicContact CE-CB 3.77Å; M119-V193 HydrophobicContact CE-CG1 3.72Å; M119-V193 HydrophobicContact SD-CB 4.13Å; M119-V193 HydrophobicContact SD-CG1 4.01Å; F120-V193 PolarHBondContact N-O 2.69Å; V193-K195 HydrophobicContact CG1-CD 4.45Å; V193-P227 HydrophobicContact CG2-CG 3.98Å; V193-S230 CarbonylContact C-O 3.46Å; V193-S230 WeakPolarHBondContact CA-O 3.48Å; V193-S230 VanDerWaalsContact CG1-O 3.25Å; V193-S230 WeakPolarHBondContact CG1-O 3.18Å; V193-F493 HydrophobicContact CG2-CD2 4.03Å; V193-F493 HydrophobicContact CG2-CE2 4.07Å; V193-F493 HydrophobicContact CG2-CG 4.3Å; V193-F493 HydrophobicContact CG2-CZ 4.39Å
194L98.3Very high94.8Very high0 Ų048.6 Ų48.60%022%0.219CC..EExtended strand (participates in β ladder)trans-124128.4171.4-174.6143.7000110F120 A122 I171 A196 L212 V215 F219 S230 V231 S232F120-L194 HydrophobicContact CB-CB 3.75Å; F120-L194 HydrophobicContact CB-CD1 3.6Å; F120-L194 HydrophobicContact CB-CG 3.65Å; F120-L194 HydrophobicContact CD1-CD1 4.36Å; F120-L194 HydrophobicContact CG-CD1 4.18Å; F120-L194 WeakPolarHBondContact O-CA 3.35Å; A122-L194 HydrophobicContact CB-CD1 4.17Å; A122-L194 HydrophobicContact CB-CD2 3.92Å; A122-L194 HydrophobicContact CB-CG 4.23Å; I171-L194 HydrophobicContact CD1-CD1 3.81Å; L194-A196 HydrophobicContact CD2-CB 4.27Å; L194-L212 HydrophobicContact CD2-CD2 4.4Å; L194-V215 HydrophobicContact CB-CG1 4.07Å; L194-V215 HydrophobicContact CD1-CG1 3.64Å; L194-V215 HydrophobicContact CD1-CG2 4.2Å; L194-V215 HydrophobicContact CD2-CG1 4.43Å; L194-V215 HydrophobicContact CG-CG1 4.25Å; L194-F219 HydrophobicContact CB-CE2 3.95Å; L194-F219 HydrophobicContact CB-CZ 3.7Å; L194-S230 PolarHBondContact N-O 3.03Å; L194-S230 VanDerWaalsContact O-O 3.12Å; L194-V231 HydrophobicContact CB-CG2 4.44Å; L194-V231 HydrophobicContact CD2-CG1 4.36Å; L194-S232 PolarHBondContact O-N 3.05Å; L194-S232 VanDerWaalsContact O-N 3.14Å
195K97.6Very high94.5Very high43 Ų4348.6 Ų48.619%0.18722%0.223CC..EExtended strand (participates in β ladder)trans-115.9126164.2-50.1-64.6-176-166.40110.1M119 F120 A122 V193 N229 S232 M234 W485M119-K195 HydrophobicContact SD-CG 4.24Å; F120-K195 PolarHBondContact O-N 3.01Å; A122-K195 PolarHBondContact N-O 2.88Å; V193-K195 HydrophobicContact CG1-CD 4.45Å; K195-N229 PolarHBondContact NZ-O 3.41Å; K195-S232 WeakPolarHBondContact CA-O 3.11Å; K195-S232 WeakPolarHBondContact CD-OG 3.35Å; K195-S232 PolarHBondContact NZ-OG 3.48Å; K195-M234 HydrophobicContact CB-CB 4.1Å; K195-M234 HydrophobicContact CB-CE 4.39Å; K195-W485 HydrophobicContact CB-CH2 3.49Å; K195-W485 VanDerWaalsContact CB-CH2 3.49Å; K195-W485 HydrophobicContact CB-CZ2 4.26Å; K195-W485 HydrophobicContact CB-CZ3 3.82Å; K195-W485 HydrophobicContact CG-CH2 4.17Å; K195-W485 HydrophobicContact CG-CZ3 4.02Å
196A96.5Very high94.4Very high0 Ų049.6 Ų49.60%023%0.228CC..EExtended strand (participates in β ladder)trans-93.5144.9172.600000111A122 L194 L200 S232 I233 M234A122-A196 HydrophobicContact CB-CB 3.9Å; A122-A196 WeakPolarHBondContact O-CA 3.22Å; L194-A196 HydrophobicContact CD2-CB 4.27Å; A196-L200 HydrophobicContact CB-CB 3.91Å; A196-L200 HydrophobicContact CB-CD1 4.26Å; A196-L200 HydrophobicContact CB-CD2 3.63Å; A196-L200 HydrophobicContact CB-CG 4.12Å; A196-S232 PolarHBondContact N-O 2.99Å; A196-I233 HydrophobicContact CB-CG1 4.47Å; A196-I233 WeakPolarHBondContact O-CA 3.25Å; A196-M234 PolarHBondContact O-N 2.76Å
197T94.1Very high94.3Very high7 Ų751.4 Ų51.44%0.04324%0.235CC..  trans-109.3-145.6-174.865.40000111.9A122 G199 L200 R201 M234 E239 W485A122-T197 PolarHBondContact O-N 3.46Å; T197-G199 PolarHBondContact O-N 3.14Å; T197-G199 VanDerWaalsContact O-N 3.1Å; T197-L200 PolarHBondContact O-N 3.27Å; T197-R201 PolarHBondContact O-N 3.39Å; T197-M234 HydrophobicContact CG2-CE 3.76Å; T197-E239 HydrophobicContact CG2-CG 4.45Å; T197-E239 WeakPolarHBondContact CG2-OE1 3.45Å; T197-W485 HydrophobicContact CG2-CZ2 3.85Å
198A90.9Very high94.2Very high1 Ų149.3 Ų49.31%0.00823%0.228CC..Hα-helixtrans-55.6-29.8-174.200000114.6L200 R201 L202 S271 L310A198-L200 PolarHBondContact O-N 3.23Å; A198-R201 PolarHBondContact O-N 2.75Å; A198-L202 VanDerWaalsContact O-CG 3.25Å; A198-L202 WeakPolarHBondContact O-CG 3.29Å; A198-L202 PolarHBondContact O-N 3.14Å; A198-L202 VanDerWaalsContact O-N 3.11Å; A198-S271 WeakPolarHBondContact CB-OG 3.18Å; A198-L310 HydrophobicContact CB-CD1 3.57Å
199G87.5Confident94.2Very high5 Ų541.4 Ų41.45%0.05221%0.206CC..Hα-helixtrans-56.6-49.317900000112.4T197T197-G199 PolarHBondContact O-N 3.14Å; T197-G199 VanDerWaalsContact O-N 3.1Å
200L93.1Very high94.3Very high2 Ų236.6 Ų36.61%0.0120%0.196CC..Hα-helixtrans-79.8-29.4177.6-90.369.7000112.6L157 A196 T197 A198 L202 L203 L212 I233L157-L200 HydrophobicContact CB-CD1 4.05Å; L157-L200 HydrophobicContact CD2-CD2 4.31Å; A196-L200 HydrophobicContact CB-CB 3.91Å; A196-L200 HydrophobicContact CB-CD1 4.26Å; A196-L200 HydrophobicContact CB-CD2 3.63Å; A196-L200 HydrophobicContact CB-CG 4.12Å; T197-L200 PolarHBondContact O-N 3.27Å; A198-L200 PolarHBondContact O-N 3.23Å; L200-L202 PolarHBondContact O-N 2.95Å; L200-L203 HydrophobicContact CG-CD1 4.31Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-L203 VanDerWaalsContact O-N 3.15Å; L200-L212 HydrophobicContact CD2-CD2 3.75Å; L200-L212 HydrophobicContact CD2-CG 4.1Å; L200-I233 HydrophobicContact CB-CD1 4.15Å; L200-I233 HydrophobicContact CB-CG1 4.46Å
201R91.3Very high94.3Very high50 Ų5036.6 Ų36.619%0.18920%0.196CC..Hα-helixtrans-59.3-29.1174.1-70.4-172.6-84158.2-8.1112.9T197 A198 I233 M234 G236 E239 S271 S308 L310T197-R201 PolarHBondContact O-N 3.39Å; A198-R201 PolarHBondContact O-N 2.75Å; R201-I233 HydrophobicContact CG-CG2 3.39Å; R201-M234 WeakPolarHBondContact CD-O 3.47Å; R201-M234 PolarHBondContact NE-O 3.24Å; R201-G236 VanDerWaalsContact NH1-CA 3.29Å; R201-E239 IonicContact CZ-OE2 3.07Å; R201-E239 IonicContact NH2-OE2 2.78Å; R201-E239 PolarHBondContact NH2-OE2 3.18Å; R201-S271 PolarHBondContact NH2-OG 2.67Å; R201-S308 PolarHBondContact NH1-OG 3.3Å; R201-L310 HydrophobicContact CB-CD1 4.37Å
202L86.6Confident94.4Very high79 Ų7936.7 Ų36.741%0.41420%0.196SC..THydrogen-bonded Turntrans-85.3-9.7-179.4-69.3170.3000113.6A198 L200 L310 F353A198-L202 VanDerWaalsContact O-CG 3.25Å; A198-L202 WeakPolarHBondContact O-CG 3.29Å; A198-L202 PolarHBondContact O-N 3.14Å; A198-L202 VanDerWaalsContact O-N 3.11Å; L200-L202 PolarHBondContact O-N 2.95Å; L202-L310 HydrophobicContact CD2-CD1 4.18Å; L202-L310 HydrophobicContact CD2-CD2 4.21Å; L202-L310 HydrophobicContact CD2-CG 4.02Å; L202-L310 HydrophobicContact CG-CD1 4.17Å; L202-F353 HydrophobicContact CD1-CZ 4.41Å
203L88.8Confident94.4Very high21 Ų2142.1 Ų42.111%0.1122%0.22CC..SBendtrans-82.4156.7180-67.3-177.4000112.3K161 L200 A208 L211K161-L203 HydrophobicContact CB-CD1 3.97Å; K161-L203 HydrophobicContact CB-CD2 4.09Å; K161-L203 HydrophobicContact CD-CD2 3.7Å; K161-L203 HydrophobicContact CG-CD2 4.49Å; L200-L203 HydrophobicContact CG-CD1 4.31Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-L203 VanDerWaalsContact O-N 3.15Å; L203-A208 HydrophobicContact CB-CB 4.28Å; L203-L211 HydrophobicContact CD1-CD1 3.86Å
204P91.1Very high94.4Very high78 Ų7843.6 Ų43.651%0.50623%0.226SC..  trans-54.2140.8163.1-23.434.1000111.2E206 K207 A208P204-E206 VanDerWaalsContact C-N 3.25Å; P204-E206 PolarHBondContact O-N 3.02Å; P204-K207 HydrophobicContact CB-CB 4.46Å; P204-K207 HydrophobicContact CB-CG 4.2Å; P204-K207 HydrophobicContact CG-CG 4.35Å; P204-K207 PolarHBondContact O-N 3.13Å; P204-A208 PolarHBondContact O-N 3.23Å
205L92.3Very high94.4Very high138 Ų13843.6 Ų43.672%0.72323%0.226SC*.Hα-helixtrans-54.3-41.4-174.5179.262.9000112.6A208 S209L205-A208 PolarHBondContact O-N 3.31Å; L205-S209 VanDerWaalsContact O-CB 3.25Å; L205-S209 WeakPolarHBondContact O-CB 3.4Å; L205-S209 PolarHBondContact O-N 3.2Å; L205-S209 PolarHBondContact O-OG 3.17Å
206E95.2Very high94.4Very high163 Ų16346.2 Ų46.276%0.76224%0.235SC*.Hα-helixtrans-61.7-45.4179.5-66.4165.5-169.400111.8P204 S209 A210P204-E206 VanDerWaalsContact C-N 3.25Å; P204-E206 PolarHBondContact O-N 3.02Å; E206-S209 PolarHBondContact O-N 3.22Å; E206-A210 WeakPolarHBondContact O-CB 3.49Å; E206-A210 PolarHBondContact O-N 2.95Å
207K95.4Very high94.5Very high75 Ų7549 Ų4933%0.32625%0.248SC..Hα-helixtrans-67.3-44.4179.9-64.3-81.4172.8170.90111.3K161 D162 P204 S209 A210 L211K161-K207 HydrophobicContact CB-CB 4.28Å; K161-K207 HydrophobicContact CB-CD 4.39Å; K161-K207 WeakPolarHBondContact O-CD 3.37Å; D162-K207 IonicContact OD1-NZ 2.61Å; D162-K207 PolarHBondContact OD1-NZ 2.65Å; P204-K207 HydrophobicContact CB-CB 4.46Å; P204-K207 HydrophobicContact CB-CG 4.2Å; P204-K207 HydrophobicContact CG-CG 4.35Å; P204-K207 PolarHBondContact O-N 3.13Å; K207-S209 VanDerWaalsContact C-N 3.33Å; K207-S209 PolarHBondContact O-N 3.13Å; K207-A210 PolarHBondContact O-N 3.3Å; K207-L211 PolarHBondContact O-N 3.42Å; K207-L211 VanDerWaalsContact O-N 3.14Å
208A95.6Very high94.7Very high2 Ų248.8 Ų48.82%0.01725%0.247CC..Hα-helixtrans-61.5-42.7173.800000111.4L203 P204 L205 L211 L212 I233L203-A208 HydrophobicContact CB-CB 4.28Å; P204-A208 PolarHBondContact O-N 3.23Å; L205-A208 PolarHBondContact O-N 3.31Å; A208-L211 PolarHBondContact O-N 3.37Å; A208-L212 VanDerWaalsContact O-CG 3.27Å; A208-L212 WeakPolarHBondContact O-CG 3.46Å; A208-L212 PolarHBondContact O-N 3.41Å; A208-I233 HydrophobicContact CB-CD1 4.17Å
209S96.9Very high95.1Very high54 Ų5448.7 Ų48.738%0.37825%0.246SC..Hα-helixtrans-65.2-40.8180-60.30000112.3L205 E206 K207 L212 K213L205-S209 VanDerWaalsContact O-CB 3.25Å; L205-S209 WeakPolarHBondContact O-CB 3.4Å; L205-S209 PolarHBondContact O-N 3.2Å; L205-S209 PolarHBondContact O-OG 3.17Å; E206-S209 PolarHBondContact O-N 3.22Å; K207-S209 VanDerWaalsContact C-N 3.33Å; K207-S209 PolarHBondContact O-N 3.13Å; S209-L212 PolarHBondContact O-N 2.87Å; S209-K213 PolarHBondContact O-N 3.2Å
210A97.9Very high95.6Very high38 Ų3855.1 Ų55.131%0.31428%0.275SS..Hα-helixtrans-60.9-46.7175.200000111.6P164 E206 K207 L212 K213 E214P164-A210 HydrophobicContact CB-CB 4.34Å; P164-A210 HydrophobicContact CG-CB 3.91Å; E206-A210 WeakPolarHBondContact O-CB 3.49Å; E206-A210 PolarHBondContact O-N 2.95Å; K207-A210 PolarHBondContact O-N 3.3Å; A210-L212 PolarHBondContact O-N 2.98Å; A210-K213 WeakPolarHBondContact O-CB 3.34Å; A210-K213 PolarHBondContact O-N 3.45Å; A210-E214 PolarHBondContact O-N 2.8Å
211L98.1Very high95.8Very high1 Ų160.6 Ų60.61%0.00530%0.301CS..Hα-helixtrans-59.4-46.8174.7-75.3167.5000112.2L157 P164 L203 K207 A208 K213 E214 V215L157-L211 HydrophobicContact CD2-CB 4.34Å; L157-L211 HydrophobicContact CG-CD2 4.32Å; L157-L211 WeakPolarHBondContact O-CD1 3.48Å; P164-L211 HydrophobicContact CB-CD2 3.96Å; P164-L211 HydrophobicContact CB-CG 4.35Å; L203-L211 HydrophobicContact CD1-CD1 3.86Å; K207-L211 PolarHBondContact O-N 3.42Å; K207-L211 VanDerWaalsContact O-N 3.14Å; A208-L211 PolarHBondContact O-N 3.37Å; L211-K213 PolarHBondContact O-N 2.96Å; L211-E214 WeakPolarHBondContact O-CB 3.36Å; L211-E214 PolarHBondContact O-N 2.73Å; L211-V215 WeakPolarHBondContact O-CG2 3.41Å; L211-V215 PolarHBondContact O-N 3.16Å; L211-V215 VanDerWaalsContact O-N 3.13Å
212L98.2Very high96.1Very high11 Ų1159 Ų596%0.05830%0.297CS..Hα-helixtrans-65.7-26.4179-63.4173.3000112.6L194 L200 A208 S209 A210 R216 V231 I233L194-L212 HydrophobicContact CD2-CD2 4.4Å; L200-L212 HydrophobicContact CD2-CD2 3.75Å; L200-L212 HydrophobicContact CD2-CG 4.1Å; A208-L212 VanDerWaalsContact O-CG 3.27Å; A208-L212 WeakPolarHBondContact O-CG 3.46Å; A208-L212 PolarHBondContact O-N 3.41Å; S209-L212 PolarHBondContact O-N 2.87Å; A210-L212 PolarHBondContact O-N 2.98Å; L212-R216 WeakPolarHBondContact O-CG 2.95Å; L212-R216 PolarHBondContact O-N 3.1Å; L212-R216 VanDerWaalsContact O-N 3.13Å; L212-R216 PolarHBondContact O-NH1 2.97Å; L212-V231 HydrophobicContact CB-CG1 4Å; L212-V231 HydrophobicContact CD2-CG1 3.65Å; L212-V231 HydrophobicContact CG-CG1 4.35Å; L212-I233 HydrophobicContact CD1-CD1 4.08Å; L212-I233 HydrophobicContact CD1-CG1 3.73Å
213K98.3Very high96.7Very high113 Ų11357.1 Ų57.149%0.49129%0.29SS..Hα-helixtrans-64.4-49.3172.5-173.3-179.2177-850110.6S209 A210 L211 V215 R216 E217S209-K213 PolarHBondContact O-N 3.2Å; A210-K213 WeakPolarHBondContact O-CB 3.34Å; A210-K213 PolarHBondContact O-N 3.45Å; L211-K213 PolarHBondContact O-N 2.96Å; K213-V215 VanDerWaalsContact C-N 3.27Å; K213-V215 PolarHBondContact O-N 3.45Å; K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 2.73Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 IonicContact NZ-OE1 2.67Å; K213-E217 PolarHBondContact NZ-OE1 3.15Å; K213-E217 PolarHBondContact O-N 3.05Å
214E98.5Very high97.1Very high35 Ų3556.5 Ų56.516%0.16429%0.286CS..Hα-helixtrans-59.2-37.1177-64.9-65.4147.200112.6P164 A210 L211 A218P164-E214 HydrophobicContact CB-CG 3.77Å; A210-E214 PolarHBondContact O-N 2.8Å; L211-E214 WeakPolarHBondContact O-CB 3.36Å; L211-E214 PolarHBondContact O-N 2.73Å; E214-A218 WeakPolarHBondContact O-CB 3.25Å; E214-A218 PolarHBondContact O-N 3.46Å
215V98.5Very high97.4Very high0 Ų058.6 Ų58.60%029%0.285CS..Hα-helixtrans-63.5-44.7173.3-1800000111.5L157 I171 L194 L211 K213 E217 A218 F219 V231L157-V215 HydrophobicContact CD2-CG2 3.79Å; I171-V215 HydrophobicContact CG1-CG1 4.47Å; I171-V215 HydrophobicContact CG1-CG2 4.01Å; L194-V215 HydrophobicContact CB-CG1 4.07Å; L194-V215 HydrophobicContact CD1-CG1 3.64Å; L194-V215 HydrophobicContact CD1-CG2 4.2Å; L194-V215 HydrophobicContact CD2-CG1 4.43Å; L194-V215 HydrophobicContact CG-CG1 4.25Å; L211-V215 WeakPolarHBondContact O-CG2 3.41Å; L211-V215 PolarHBondContact O-N 3.16Å; L211-V215 VanDerWaalsContact O-N 3.13Å; K213-V215 VanDerWaalsContact C-N 3.27Å; K213-V215 PolarHBondContact O-N 3.45Å; V215-E217 VanDerWaalsContact C-N 3.35Å; V215-A218 PolarHBondContact O-N 2.84Å; V215-F219 HydrophobicContact CG1-CD1 4.22Å; V215-F219 HydrophobicContact CG1-CE1 3.98Å; V215-F219 HydrophobicContact CG1-CE2 4.35Å; V215-F219 HydrophobicContact CG1-CZ 4.06Å; V215-F219 WeakPolarHBondContact O-CD1 3.26Å; V215-F219 WeakPolarHBondContact O-CG 3.5Å; V215-F219 PolarHBondContact O-N 3.47Å; V215-V231 HydrophobicContact CB-CG1 3.97Å; V215-V231 HydrophobicContact CB-CG2 4.33Å; V215-V231 HydrophobicContact CG1-CB 4.42Å; V215-V231 HydrophobicContact CG1-CG1 3.87Å; V215-V231 HydrophobicContact CG1-CG2 3.62Å
216R98.5Very high97.7Very high98 Ų9854.2 Ų54.237%0.3726%0.264SS..Hα-helixtrans-62.3-44.2179.9-72.3178.6-164.2103.92.4111.1L212 K213 A218 F219 E220 V231L212-R216 WeakPolarHBondContact O-CG 2.95Å; L212-R216 PolarHBondContact O-N 3.1Å; L212-R216 VanDerWaalsContact O-N 3.13Å; L212-R216 PolarHBondContact O-NH1 2.97Å; K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 2.73Å; R216-A218 PolarHBondContact O-N 2.91Å; R216-F219 WeakPolarHBondContact O-CB 3.38Å; R216-F219 PolarHBondContact O-N 3.38Å; R216-F219 VanDerWaalsContact O-N 3.13Å; R216-E220 WeakPolarHBondContact O-CG 3.37Å; R216-E220 PolarHBondContact O-N 2.98Å; R216-V231 HydrophobicContact CG-CB 3.73Å; R216-V231 HydrophobicContact CG-CG1 4.17Å; R216-V231 HydrophobicContact CG-CG2 3.72Å; R216-V231 PolarHBondContact NH2-O 3.04Å
217E98.3Very high97.5Very high58 Ų5846.9 Ų46.927%0.27123%0.23SC..Hα-helixtrans-60-47.1176-68.5174.7-172.200111.1K213 V215 F219 E220 E221K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 IonicContact NZ-OE1 2.67Å; K213-E217 PolarHBondContact NZ-OE1 3.15Å; K213-E217 PolarHBondContact O-N 3.05Å; V215-E217 VanDerWaalsContact C-N 3.35Å; E217-F219 PolarHBondContact O-N 3.13Å; E217-E220 PolarHBondContact O-N 3.5Å; E217-E221 VanDerWaalsContact O-CG 3.31Å; E217-E221 WeakPolarHBondContact O-CG 3.35Å; E217-E221 PolarHBondContact O-N 2.88Å
218A98.6Very high97.2Very high2 Ų251.7 Ų51.72%0.01725%0.254CS..Hα-helixtrans-60.5-32.4175.500000113.3I171 R172 L175 E214 V215 R216I171-A218 HydrophobicContact CB-CB 4.21Å; I171-A218 HydrophobicContact CG2-CB 3.96Å; R172-A218 HydrophobicContact CG-CB 3.73Å; L175-A218 HydrophobicContact CD1-CB 4.42Å; L175-A218 WeakPolarHBondContact CD1-O 3.45Å; E214-A218 WeakPolarHBondContact O-CB 3.25Å; E214-A218 PolarHBondContact O-N 3.46Å; V215-A218 PolarHBondContact O-N 2.84Å; R216-A218 PolarHBondContact O-N 2.91Å
219F98.4Very high96.8Very high0 Ų057.8 Ų57.80%029%0.286CS..Hα-helixtrans-73.1-43.6175.3-79.514.5000111.6F120 I171 L175 V192 L194 V215 R216 E217 E221 S222 V226 V231F120-F219 HydrophobicContact CD2-CE1 4.02Å; F120-F219 AromaticContact CD2-CZ 3.7Å; F120-F219 HydrophobicContact CD2-CZ 3.7Å; F120-F219 AromaticContact CE2-CE1 3.88Å; F120-F219 HydrophobicContact CE2-CE1 3.88Å; F120-F219 AromaticContact CE2-CZ 4Å; F120-F219 HydrophobicContact CE2-CZ 4Å; F120-F219 HydrophobicContact CG-CZ 4.3Å; F120-F219 HydrophobicContact CZ-CE1 4.33Å; I171-F219 HydrophobicContact CG2-CD1 3.97Å; I171-F219 HydrophobicContact CG2-CE1 3.61Å; L175-F219 HydrophobicContact CD1-CD1 4.13Å; L175-F219 HydrophobicContact CD2-CD1 4.5Å; L175-F219 HydrophobicContact CD2-CE1 4.42Å; V192-F219 HydrophobicContact CB-CE2 4.49Å; V192-F219 HydrophobicContact CG1-CB 4.39Å; V192-F219 HydrophobicContact CG1-CD2 3.93Å; V192-F219 HydrophobicContact CG1-CE2 4.29Å; V192-F219 HydrophobicContact CG1-CG 4.08Å; V192-F219 HydrophobicContact CG2-CD1 4.22Å; V192-F219 HydrophobicContact CG2-CD2 4.2Å; V192-F219 HydrophobicContact CG2-CE1 3.8Å; V192-F219 HydrophobicContact CG2-CE2 3.81Å; V192-F219 HydrophobicContact CG2-CG 4.38Å; V192-F219 HydrophobicContact CG2-CZ 3.57Å; L194-F219 HydrophobicContact CB-CE2 3.95Å; L194-F219 HydrophobicContact CB-CZ 3.7Å; V215-F219 HydrophobicContact CG1-CD1 4.22Å; V215-F219 HydrophobicContact CG1-CE1 3.98Å; V215-F219 HydrophobicContact CG1-CE2 4.35Å; V215-F219 HydrophobicContact CG1-CZ 4.06Å; V215-F219 WeakPolarHBondContact O-CD1 3.26Å; V215-F219 WeakPolarHBondContact O-CG 3.5Å; V215-F219 PolarHBondContact O-N 3.47Å; R216-F219 WeakPolarHBondContact O-CB 3.38Å; R216-F219 PolarHBondContact O-N 3.38Å; R216-F219 VanDerWaalsContact O-N 3.13Å; E217-F219 PolarHBondContact O-N 3.13Å; F219-E221 VanDerWaalsContact C-N 3.32Å; F219-E221 PolarHBondContact O-N 3.11Å; F219-S222 WeakPolarHBondContact O-CA 3.1Å; F219-S222 VanDerWaalsContact O-CB 3.22Å; F219-S222 WeakPolarHBondContact O-CB 3.5Å; F219-S222 PolarHBondContact O-N 3.02Å; F219-S222 PolarHBondContact O-OG 3.27Å; F219-V226 HydrophobicContact CB-CG1 4.27Å; F219-V226 HydrophobicContact CB-CG2 3.98Å; F219-V226 WeakPolarHBondContact O-CG2 3.4Å; F219-V231 HydrophobicContact CD2-CG2 3.64Å; F219-V231 HydrophobicContact CE2-CG2 3.72Å; F219-V231 HydrophobicContact CG-CG2 4.45Å
220E97.5Very high96.7Very high140 Ų14055.7 Ų55.765%0.65427%0.271SS*.Hα-helixtrans-64.7-33.7177.6-72.4172.2-17100112.6R216 E217 S222R216-E220 WeakPolarHBondContact O-CG 3.37Å; R216-E220 PolarHBondContact O-N 2.98Å; E217-E220 PolarHBondContact O-N 3.5Å; E220-S222 PolarHBondContact O-N 3.11Å
221E97.8Very high96.6Very high117 Ų11754.1 Ų54.155%0.54726%0.258SS..THydrogen-bonded Turntrans-70-13.5171.5-70.8168.4-156.200113.3R172 E217 F219R172-E221 IonicContact CZ-OE1 3.84Å; R172-E221 IonicContact CZ-OE2 2.74Å; R172-E221 IonicContact NE-OE1 3.6Å; R172-E221 IonicContact NE-OE2 3.85Å; R172-E221 PolarHBondContact NE-OE2 2.95Å; R172-E221 IonicContact NH2-OE1 2.81Å; R172-E221 PolarHBondContact NH2-OE1 2.93Å; R172-E221 IonicContact NH2-OE2 3.79Å; E217-E221 VanDerWaalsContact O-CG 3.31Å; E217-E221 WeakPolarHBondContact O-CG 3.35Å; E217-E221 PolarHBondContact O-N 2.88Å; F219-E221 VanDerWaalsContact C-N 3.32Å; F219-E221 PolarHBondContact O-N 3.11Å
222S98.3Very high96.5Very high15 Ų1555.7 Ų55.711%0.10527%0.269CS..SBendtrans-88154.6-178.691.70000111.6F219 E220 F224F219-S222 WeakPolarHBondContact O-CA 3.1Å; F219-S222 VanDerWaalsContact O-CB 3.22Å; F219-S222 WeakPolarHBondContact O-CB 3.5Å; F219-S222 PolarHBondContact O-N 3.02Å; F219-S222 PolarHBondContact O-OG 3.27Å; E220-S222 PolarHBondContact O-N 3.11Å; S222-F224 PolarHBondContact O-N 3.24Å; S222-F224 PolarHBondContact OG-N 3.03Å
223P98.3Very high96.4Very high41 Ų4158 Ų5827%0.26628%0.281SS..SBendtrans-79.6-0.5178.535-37.2000113K179 W187K179-P223 HydrophobicContact CD-CG 4.48Å; K179-P223 HydrophobicContact CG-CG 4.37Å; W187-P223 CarbonylContact C-O 3.53Å; W187-P223 HydrophobicContact CB-CB 4.24Å; W187-P223 HydrophobicContact CB-CG 4.35Å; W187-P223 HydrophobicContact CD2-CB 4.16Å; W187-P223 HydrophobicContact CD2-CG 3.71Å; W187-P223 HydrophobicContact CE3-CB 3.48Å; W187-P223 VanDerWaalsContact CE3-CB 3.48Å; W187-P223 HydrophobicContact CE3-CG 3.3Å; W187-P223 HydrophobicContact CG-CG 4.2Å; W187-P223 HydrophobicContact CZ3-CB 4.21Å; W187-P223 HydrophobicContact CZ3-CG 3.87Å
224F98.5Very high96.2Very high8 Ų853.2 Ų53.24%0.03526%0.26CS..SBendtrans-78.6157.8-176.4-64.8-65.4000111.4I118 L175 A178 K179 V182 W187 T190 V192 S222 V226I118-F224 HydrophobicContact CD1-CD1 3.56Å; I118-F224 HydrophobicContact CD1-CD2 3.87Å; I118-F224 HydrophobicContact CD1-CE1 3.57Å; I118-F224 HydrophobicContact CD1-CE2 3.88Å; I118-F224 HydrophobicContact CD1-CG 3.72Å; I118-F224 HydrophobicContact CD1-CZ 3.74Å; L175-F224 HydrophobicContact CD2-CD2 4.2Å; L175-F224 HydrophobicContact CD2-CE2 4.45Å; A178-F224 HydrophobicContact CB-CE2 3.65Å; A178-F224 HydrophobicContact CB-CZ 3.68Å; K179-F224 HydrophobicContact CG-CE2 4Å; K179-F224 HydrophobicContact CG-CZ 4.15Å; V182-F224 HydrophobicContact CB-CE1 4.08Å; V182-F224 HydrophobicContact CG1-CE1 4.32Å; V182-F224 HydrophobicContact CG2-CE1 4.25Å; W187-F224 HydrophobicContact CB-CD1 4.17Å; W187-F224 HydrophobicContact CB-CE1 4.18Å; W187-F224 AromaticContact CD1-CE1 3.48Å; W187-F224 VanDerWaalsContact CD1-CE1 3.48Å; W187-F224 HydrophobicContact CG-CD1 4.31Å; W187-F224 AromaticContact CG-CE1 3.84Å; W187-F224 HydrophobicContact CG-CE1 3.84Å; W187-F224 HydrophobicContact CG-CZ 4.42Å; W187-F224 WeakPolarHBondContact O-CA 3.4Å; T190-F224 HydrophobicContact CG2-CD1 4.25Å; V192-F224 HydrophobicContact CB-CB 4.04Å; V192-F224 HydrophobicContact CG1-CB 3.82Å; S222-F224 PolarHBondContact O-N 3.24Å; S222-F224 PolarHBondContact OG-N 3.03Å; F224-V226 PolarHBondContact O-N 3.5Å
225Y97.3Very high95.9Very high122 Ų12254 Ų5448%0.47827%0.265SS..BIsolated β-bridgetrans-69120.1173.8175.3-124.5000110W187 T190 P191 V192 P227W187-Y225 PolarHBondContact O-N 3.32Å; T190-Y225 PolarHBondContact O-N 3.43Å; P191-Y225 CarbonylContact C-O 3.46Å; P191-Y225 VanDerWaalsContact CA-O 3.27Å; P191-Y225 WeakPolarHBondContact CA-O 3.24Å; P191-Y225 HydrophobicContact CB-CD1 4.08Å; V192-Y225 PolarHBondContact N-O 3.38Å; Y225-P227 HydrophobicContact CE1-CB 3.91Å; Y225-P227 WeakPolarHBondContact O-CD 3.42Å
226V97.2Very high95.4Very high46 Ų4654 Ų5428%0.27927%0.265SS..  trans-100.999.8176.4-1730000108.7V192 F219 F224 S230V192-V226 HydrophobicContact CG1-CG2 3.97Å; F219-V226 HydrophobicContact CB-CG1 4.27Å; F219-V226 HydrophobicContact CB-CG2 3.98Å; F219-V226 WeakPolarHBondContact O-CG2 3.4Å; F224-V226 PolarHBondContact O-N 3.5Å; V226-S230 WeakPolarHBondContact CG1-OG 3.5Å
227P92.3Very high94.9Very high9 Ų949.7 Ų49.76%0.05825%0.251CS..  trans-71.9163.9177.730.3-36000111.7P191 V193 Y225 S230 F493P191-P227 HydrophobicContact CB-CG 4.39Å; V193-P227 HydrophobicContact CG2-CG 3.98Å; Y225-P227 HydrophobicContact CE1-CB 3.91Å; Y225-P227 WeakPolarHBondContact O-CD 3.42Å; P227-S230 WeakPolarHBondContact O-CB 3.48Å; P227-S230 PolarHBondContact O-N 2.86Å; P227-S230 PolarHBondContact O-OG 3.05Å; P227-F493 HydrophobicContact CB-CE2 3.77Å; P227-F493 HydrophobicContact CB-CZ 3.49Å; P227-F493 VanDerWaalsContact CB-CZ 3.49Å; P227-F493 HydrophobicContact CG-CE1 4.41Å; P227-F493 HydrophobicContact CG-CE2 3.56Å; P227-F493 HydrophobicContact CG-CZ 3.37Å
228E88.4Confident94.6Very high175 Ų17548.8 Ų48.882%0.81825%0.248SC*.THydrogen-bonded Turntrans-58.5144.5166.9-66.5-174.9-179.300110.5S230E228-S230 PolarHBondContact O-N 3.08Å; E228-S230 VanDerWaalsContact O-N 3.14Å
229N87.4Confident94.5Very high131 Ų13148.9 Ų48.970%0.70125%0.248SC*.THydrogen-bonded Turntrans55.926.2-176.7-56.6-51.7000114.5K195 V231K195-N229 PolarHBondContact NZ-O 3.41Å; N229-V231 PolarHBondContact O-N 2.9Å
230S93.8Very high94.4Very high9 Ų949 Ų496%0.06325%0.249CC..  trans-57.7-32.6174.453.90000112.9V192 V193 L194 V226 P227 E228V192-S230 WeakPolarHBondContact O-CB 3.38Å; V193-S230 CarbonylContact C-O 3.46Å; V193-S230 WeakPolarHBondContact CA-O 3.48Å; V193-S230 VanDerWaalsContact CG1-O 3.25Å; V193-S230 WeakPolarHBondContact CG1-O 3.18Å; L194-S230 PolarHBondContact N-O 3.03Å; L194-S230 VanDerWaalsContact O-O 3.12Å; V226-S230 WeakPolarHBondContact CG1-OG 3.5Å; P227-S230 WeakPolarHBondContact O-CB 3.48Å; P227-S230 PolarHBondContact O-N 2.86Å; P227-S230 PolarHBondContact O-OG 3.05Å; E228-S230 PolarHBondContact O-N 3.08Å; E228-S230 VanDerWaalsContact O-N 3.14Å
231V97.4Very high94.3Very high5 Ų542.3 Ų42.33%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-119.5110.7-177.6179.70000110.1L194 L212 V215 R216 F219 N229L194-V231 HydrophobicContact CB-CG2 4.44Å; L194-V231 HydrophobicContact CD2-CG1 4.36Å; L212-V231 HydrophobicContact CB-CG1 4Å; L212-V231 HydrophobicContact CD2-CG1 3.65Å; L212-V231 HydrophobicContact CG-CG1 4.35Å; V215-V231 HydrophobicContact CB-CG1 3.97Å; V215-V231 HydrophobicContact CB-CG2 4.33Å; V215-V231 HydrophobicContact CG1-CB 4.42Å; V215-V231 HydrophobicContact CG1-CG1 3.87Å; V215-V231 HydrophobicContact CG1-CG2 3.62Å; R216-V231 HydrophobicContact CG-CB 3.73Å; R216-V231 HydrophobicContact CG-CG1 4.17Å; R216-V231 HydrophobicContact CG-CG2 3.72Å; R216-V231 PolarHBondContact NH2-O 3.04Å; F219-V231 HydrophobicContact CD2-CG2 3.64Å; F219-V231 HydrophobicContact CE2-CG2 3.72Å; F219-V231 HydrophobicContact CG-CG2 4.45Å; N229-V231 PolarHBondContact O-N 2.9Å
232S95.7Very high94.2Very high34 Ų3437 Ų3724%0.23819%0.193CC..EExtended strand (participates in β ladder)trans-149.3163.7-179.976.30000113.4L194 K195 A196L194-S232 PolarHBondContact O-N 3.05Å; L194-S232 VanDerWaalsContact O-N 3.14Å; K195-S232 WeakPolarHBondContact CA-O 3.11Å; K195-S232 WeakPolarHBondContact CD-OG 3.35Å; K195-S232 PolarHBondContact NZ-OG 3.48Å; A196-S232 PolarHBondContact N-O 2.99Å
233I95.8Very high94.1Very high61 Ų6136.2 Ų36.231%0.31319%0.188SC..EExtended strand (participates in β ladder)trans-89.3129.4168.3-52.1-179.1000107.8A196 L200 R201 A208 L212A196-I233 HydrophobicContact CB-CG1 4.47Å; A196-I233 WeakPolarHBondContact O-CA 3.25Å; L200-I233 HydrophobicContact CB-CD1 4.15Å; L200-I233 HydrophobicContact CB-CG1 4.46Å; R201-I233 HydrophobicContact CG-CG2 3.39Å; A208-I233 HydrophobicContact CB-CD1 4.17Å; L212-I233 HydrophobicContact CD1-CD1 4.08Å; L212-I233 HydrophobicContact CD1-CG1 3.73Å
234M94Very high94.1Very high11 Ų1134.3 Ų34.35%0.05418%0.175CC..PPolyproline II helixtrans-86.9134.2178.4179.9167.95300110.4K195 A196 T197 R201 N238 E239 L242 W485K195-M234 HydrophobicContact CB-CB 4.1Å; K195-M234 HydrophobicContact CB-CE 4.39Å; A196-M234 PolarHBondContact O-N 2.76Å; T197-M234 HydrophobicContact CG2-CE 3.76Å; R201-M234 WeakPolarHBondContact CD-O 3.47Å; R201-M234 PolarHBondContact NE-O 3.24Å; M234-N238 HydrophobicContact CG-CB 4.08Å; M234-N238 HydrophobicContact SD-CB 4.45Å; M234-E239 HydrophobicContact CE-CB 3.74Å; M234-E239 HydrophobicContact CE-CG 3.77Å; M234-E239 HydrophobicContact CG-CB 4.38Å; M234-E239 HydrophobicContact SD-CB 4.16Å; M234-L242 HydrophobicContact SD-CD1 3.78Å; M234-W485 HydrophobicContact CE-CD2 3.31Å; M234-W485 HydrophobicContact CE-CE3 3.61Å; M234-W485 HydrophobicContact CE-CG 3.78Å; M234-W485 HydrophobicContact CE-CH2 4.06Å; M234-W485 HydrophobicContact CE-CZ2 3.68Å; M234-W485 HydrophobicContact CE-CZ3 4Å; M234-W485 HydrophobicContact SD-CD2 4.29Å; M234-W485 HydrophobicContact SD-CE3 4.11Å
235N91.1Very high93.9Very high52 Ų5234 Ų3428%0.27817%0.174SC..PPolyproline II helixtrans-66.8158.7172.176.721.2000110.1A237 N238 E239N235-A237 PolarHBondContact O-N 3.28Å; N235-A237 PolarHBondContact OD1-N 2.97Å; N235-N238 PolarHBondContact ND2-OD1 3.24Å; N235-N238 WeakPolarHBondContact OD1-CA 3.43Å; N235-N238 WeakPolarHBondContact OD1-CB 3.45Å; N235-N238 PolarHBondContact OD1-N 2.88Å; N235-N238 PolarHBondContact OD1-OD1 2.63Å; N235-E239 PolarHBondContact O-N 3.43Å
236G87.9Confident93.8Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-69.7-34.8-173.900000114.4R201 E239 G240 S308R201-G236 VanDerWaalsContact NH1-CA 3.29Å; G236-E239 WeakPolarHBondContact O-CB 3.25Å; G236-E239 PolarHBondContact O-N 2.75Å; G236-G240 PolarHBondContact O-N 3.31Å; G236-S308 WeakPolarHBondContact CA-OG 3.32Å; G236-S308 WeakPolarHBondContact O-CB 3.45Å
237A88.6Confident93.7Very high8 Ų826 Ų267%0.06614%0.138CC..Hα-helixtrans-67.8-41.7-179.900000112N235 E239 G240 V241 T306N235-A237 PolarHBondContact O-N 3.28Å; N235-A237 PolarHBondContact OD1-N 2.97Å; A237-E239 VanDerWaalsContact C-N 3.32Å; A237-G240 PolarHBondContact O-N 2.93Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å; A237-V241 PolarHBondContact O-N 3.06Å; A237-T306 HydrophobicContact CB-CG2 4.03Å; A237-T306 PolarHBondContact O-OG1 3.26Å
238N93Very high93.8Very high38 Ų3825.5 Ų25.520%0.20314%0.135CC..Hα-helixtrans-64.6-38.9176.3-65.69.7000110.2M234 N235 G240 V241 L242M234-N238 HydrophobicContact CG-CB 4.08Å; M234-N238 HydrophobicContact SD-CB 4.45Å; N235-N238 PolarHBondContact ND2-OD1 3.24Å; N235-N238 WeakPolarHBondContact OD1-CA 3.43Å; N235-N238 WeakPolarHBondContact OD1-CB 3.45Å; N235-N238 PolarHBondContact OD1-N 2.88Å; N235-N238 PolarHBondContact OD1-OD1 2.63Å; N238-G240 VanDerWaalsContact C-N 3.27Å; N238-G240 PolarHBondContact O-N 3.5Å; N238-V241 PolarHBondContact O-N 3.31Å; N238-L242 HydrophobicContact CB-CD1 4.26Å; N238-L242 VanDerWaalsContact O-CB 3.25Å; N238-L242 WeakPolarHBondContact O-CB 3.15Å; N238-L242 WeakPolarHBondContact O-CG 3.08Å; N238-L242 PolarHBondContact O-N 2.91Å
239E95.1Very high94Very high5 Ų517.7 Ų17.72%0.02310%0.098CC..Hα-helixtrans-53.7-46.2172.9-171.4174.5178.300111T197 R201 M234 N235 G236 A237 A243 Q273 W485T197-E239 HydrophobicContact CG2-CG 4.45Å; T197-E239 WeakPolarHBondContact CG2-OE1 3.45Å; R201-E239 IonicContact CZ-OE2 3.07Å; R201-E239 IonicContact NH2-OE2 2.78Å; R201-E239 PolarHBondContact NH2-OE2 3.18Å; M234-E239 HydrophobicContact CE-CB 3.74Å; M234-E239 HydrophobicContact CE-CG 3.77Å; M234-E239 HydrophobicContact CG-CB 4.38Å; M234-E239 HydrophobicContact SD-CB 4.16Å; N235-E239 PolarHBondContact O-N 3.43Å; G236-E239 WeakPolarHBondContact O-CB 3.25Å; G236-E239 PolarHBondContact O-N 2.75Å; A237-E239 VanDerWaalsContact C-N 3.32Å; E239-A243 VanDerWaalsContact O-CB 3.27Å; E239-A243 WeakPolarHBondContact O-CB 3.23Å; E239-A243 PolarHBondContact O-N 2.9Å; E239-Q273 HydrophobicContact CG-CG 4.49Å; E239-Q273 PolarHBondContact OE1-NE2 3.34Å; E239-Q273 PolarHBondContact OE2-NE2 2.97Å; E239-W485 HydrophobicContact CG-CG 4.14Å; E239-W485 WeakPolarHBondContact O-CB 3.44Å
240G96.3Very high94.2Very high1 Ų111.9 Ų11.91%0.017%0.067CC..Hα-helixtrans-67.1-45175.400000114.3G236 A237 N238 A243 W244 T275G236-G240 PolarHBondContact O-N 3.31Å; A237-G240 PolarHBondContact O-N 2.93Å; N238-G240 VanDerWaalsContact C-N 3.27Å; N238-G240 PolarHBondContact O-N 3.5Å; G240-A243 PolarHBondContact O-N 2.91Å; G240-W244 WeakPolarHBondContact O-CB 3.23Å; G240-W244 PolarHBondContact O-N 2.85Å; G240-T275 VanDerWaalsContact C-OG1 3.24Å; G240-T275 VanDerWaalsContact CA-OG1 3.24Å; G240-T275 WeakPolarHBondContact CA-OG1 3.24Å; G240-T275 PolarHBondContact O-OG1 3.46Å
241V95.8Very high94.1Very high0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-62.4-46.2178.7172.20000111.1A237 N238 W244 V245 A293 F295 L304 T306 I499A237-V241 WeakPolarHBondContact O-CG2 3.47Å; A237-V241 PolarHBondContact O-N 3.06Å; N238-V241 PolarHBondContact O-N 3.31Å; V241-W244 WeakPolarHBondContact O-CB 3.34Å; V241-W244 PolarHBondContact O-N 2.75Å; V241-W244 VanDerWaalsContact O-N 3.16Å; V241-V245 WeakPolarHBondContact O-CG2 3.16Å; V241-V245 PolarHBondContact O-N 3.38Å; V241-A293 HydrophobicContact CG2-CB 3.81Å; V241-F295 HydrophobicContact CG1-CD1 3.87Å; V241-F295 HydrophobicContact CG1-CE1 4.06Å; V241-F295 HydrophobicContact CG1-CG 4.16Å; V241-F295 HydrophobicContact CG1-CZ 4.47Å; V241-L304 HydrophobicContact CG1-CD1 4.25Å; V241-L304 HydrophobicContact CG2-CD1 4.24Å; V241-T306 HydrophobicContact CG2-CG2 3.99Å; V241-I499 HydrophobicContact CG1-CD1 3.97Å; V241-I499 HydrophobicContact CG1-CG1 4.42Å
242L96.1Very high93.7Very high5 Ų514.3 Ų14.33%0.0269%0.087CC..Hα-helixtrans-70.3-36.1-178.1-63.5169.4000111.1M234 N238 W244 V245 T246 W485 A489 D492 F497 I499M234-L242 HydrophobicContact SD-CD1 3.78Å; N238-L242 HydrophobicContact CB-CD1 4.26Å; N238-L242 VanDerWaalsContact O-CB 3.25Å; N238-L242 WeakPolarHBondContact O-CB 3.15Å; N238-L242 WeakPolarHBondContact O-CG 3.08Å; N238-L242 PolarHBondContact O-N 2.91Å; L242-W244 VanDerWaalsContact C-N 3.34Å; L242-V245 PolarHBondContact O-N 2.87Å; L242-T246 PolarHBondContact O-N 3.21Å; L242-T246 PolarHBondContact O-OG1 2.99Å; L242-W485 HydrophobicContact CB-CB 4.07Å; L242-A489 HydrophobicContact CD1-CB 3.96Å; L242-D492 HydrophobicContact CD2-CB 3.67Å; L242-F497 HydrophobicContact CD2-CD2 4.49Å; L242-I499 HydrophobicContact CD2-CD1 3.98Å; L242-I499 HydrophobicContact CG-CD1 4.31Å
243A97.2Very high93.3Very high0 Ų015.1 Ų15.10%09%0.087CC..Hα-helixtrans-61.2-41.4168.300000112.7E239 G240 V245 T246 V247 I264 F400 W485E239-A243 VanDerWaalsContact O-CB 3.27Å; E239-A243 WeakPolarHBondContact O-CB 3.23Å; E239-A243 PolarHBondContact O-N 2.9Å; G240-A243 PolarHBondContact O-N 2.91Å; A243-V245 VanDerWaalsContact C-N 3.33Å; A243-V245 PolarHBondContact O-N 2.91Å; A243-T246 WeakPolarHBondContact O-CB 3.33Å; A243-T246 PolarHBondContact O-N 3.26Å; A243-V247 PolarHBondContact O-N 3.08Å; A243-I264 HydrophobicContact CB-CD1 4.13Å; A243-I264 HydrophobicContact CB-CG1 4.43Å; A243-F400 HydrophobicContact CB-CZ 3.9Å; A243-W485 HydrophobicContact CB-CB 4.06Å
244W96.7Very high92.7Very high0 Ų012.8 Ų12.80%08%0.075CC..Hα-helixtrans-63.1-40.7175.8-178.693.4000111.8G240 V241 L242 V247 N248 L254 T261 V262 I264 T275 L277 F295 Y302 L304G240-W244 WeakPolarHBondContact O-CB 3.23Å; G240-W244 PolarHBondContact O-N 2.85Å; V241-W244 WeakPolarHBondContact O-CB 3.34Å; V241-W244 PolarHBondContact O-N 2.75Å; V241-W244 VanDerWaalsContact O-N 3.16Å; L242-W244 VanDerWaalsContact C-N 3.34Å; W244-V247 PolarHBondContact O-N 3.04Å; W244-N248 HydrophobicContact CZ3-CB 4.5Å; W244-N248 PolarHBondContact NE1-ND2 3.18Å; W244-N248 VanDerWaalsContact NE1-ND2 3.19Å; W244-N248 WeakPolarHBondContact O-CB 3.5Å; W244-N248 PolarHBondContact O-N 3.34Å; W244-N248 PolarHBondContact O-ND2 3.05Å; W244-L254 HydrophobicContact CH2-CD2 4.01Å; W244-L254 HydrophobicContact CZ3-CD2 3.91Å; W244-T261 HydrophobicContact CH2-CG2 3.73Å; W244-T261 VanDerWaalsContact CZ2-CB 3.44Å; W244-T261 HydrophobicContact CZ2-CG2 3.51Å; W244-V262 VanDerWaalsContact CD1-O 3.3Å; W244-V262 PolarHBondContact NE1-O 2.92Å; W244-I264 HydrophobicContact CB-CG1 3.99Å; W244-T275 HydrophobicContact CB-CG2 3.71Å; W244-T275 HydrophobicContact CG-CG2 4.03Å; W244-L277 HydrophobicContact CZ2-CB 4.02Å; W244-F295 HydrophobicContact CE3-CE1 4.43Å; W244-F295 HydrophobicContact CE3-CZ 4.02Å; W244-F295 HydrophobicContact CZ3-CE1 4.29Å; W244-F295 AromaticContact CZ3-CZ 3.71Å; W244-F295 HydrophobicContact CZ3-CZ 3.71Å; W244-Y302 AromaticContact CH2-CD1 3.86Å; W244-Y302 HydrophobicContact CH2-CD1 3.86Å; W244-Y302 AromaticContact CH2-CE1 3.97Å; W244-Y302 HydrophobicContact CH2-CE1 3.97Å; W244-Y302 HydrophobicContact CH2-CG 4.5Å; W244-Y302 HydrophobicContact CZ3-CD1 4.49Å; W244-L304 HydrophobicContact CB-CD1 4.41Å; W244-L304 HydrophobicContact CD2-CD1 3.8Å; W244-L304 HydrophobicContact CD2-CD2 4.2Å; W244-L304 HydrophobicContact CE3-CD1 3.89Å; W244-L304 HydrophobicContact CE3-CD2 4.49Å; W244-L304 HydrophobicContact CG-CD1 4.06Å; W244-L304 HydrophobicContact CH2-CD2 4.2Å; W244-L304 HydrophobicContact CZ2-CD2 3.85Å
245V94.6Very high91.8Very high1 Ų117.6 Ų17.61%0.0069%0.094CC..Hα-helixtrans-61.3-48.4173.6171.90000110.4V241 L242 A243 V247 N248 F249 L254 F295 F497V241-V245 WeakPolarHBondContact O-CG2 3.16Å; V241-V245 PolarHBondContact O-N 3.38Å; L242-V245 PolarHBondContact O-N 2.87Å; A243-V245 VanDerWaalsContact C-N 3.33Å; A243-V245 PolarHBondContact O-N 2.91Å; V245-V247 PolarHBondContact O-N 2.97Å; V245-N248 PolarHBondContact O-N 3.34Å; V245-F249 WeakPolarHBondContact O-CB 3.41Å; V245-F249 PolarHBondContact O-N 3.3Å; V245-L254 HydrophobicContact CG1-CD1 4.11Å; V245-L254 WeakPolarHBondContact O-CD1 3.25Å; V245-F295 HydrophobicContact CG2-CE2 3.68Å; V245-F295 HydrophobicContact CG2-CZ 3.79Å; V245-F497 HydrophobicContact CG1-CE2 4.24Å
246T95.7Very high90.4Very high0 Ų017.6 Ų17.60%010%0.098CC..Hα-helixtrans-52.5-54.5176.8-62.70000111.5L242 A243 F249 L250 S484 L487 G488L242-T246 PolarHBondContact O-N 3.21Å; L242-T246 PolarHBondContact O-OG1 2.99Å; A243-T246 WeakPolarHBondContact O-CB 3.33Å; A243-T246 PolarHBondContact O-N 3.26Å; T246-F249 PolarHBondContact O-N 3.17Å; T246-L250 HydrophobicContact CG2-CD1 3.65Å; T246-L250 HydrophobicContact CG2-CG 4.35Å; T246-L250 WeakPolarHBondContact O-CB 3.27Å; T246-L250 VanDerWaalsContact O-CG 3.26Å; T246-L250 WeakPolarHBondContact O-CG 3.04Å; T246-L250 PolarHBondContact O-N 3.35Å; T246-S484 WeakPolarHBondContact CB-O 3.46Å; T246-S484 WeakPolarHBondContact CG2-O 3.49Å; T246-S484 PolarHBondContact OG1-O 2.9Å; T246-L487 HydrophobicContact CG2-CB 3.89Å; T246-L487 HydrophobicContact CG2-CD2 4.23Å; T246-G488 PolarHBondContact OG1-N 3.21Å
247V95.8Very high89.1Confident0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-64.8-47-174.6173.70000110.8A243 W244 V245 F249 L250 T251 V262 I264 Y398 F400A243-V247 PolarHBondContact O-N 3.08Å; W244-V247 PolarHBondContact O-N 3.04Å; V245-V247 PolarHBondContact O-N 2.97Å; V247-F249 VanDerWaalsContact C-N 3.28Å; V247-F249 PolarHBondContact O-N 2.86Å; V247-L250 PolarHBondContact O-N 2.99Å; V247-T251 HydrophobicContact CG1-CG2 4.28Å; V247-T251 WeakPolarHBondContact O-CG2 3.47Å; V247-T251 PolarHBondContact O-N 3.46Å; V247-T251 PolarHBondContact O-OG1 3.04Å; V247-T251 VanDerWaalsContact O-OG1 3.05Å; V247-V262 HydrophobicContact CG1-CG2 3.63Å; V247-I264 HydrophobicContact CB-CG2 3.77Å; V247-I264 HydrophobicContact CG1-CG2 4.11Å; V247-I264 HydrophobicContact CG2-CG2 3.66Å; V247-Y398 HydrophobicContact CG1-CD1 4.28Å; V247-Y398 HydrophobicContact CG1-CD2 4Å; V247-Y398 HydrophobicContact CG1-CG 3.83Å; V247-F400 HydrophobicContact CG2-CE1 4.24Å
248N93.8Very high87.8Confident0 Ų026.3 Ų26.30%015%0.145CC..Hα-helixtrans-70.8-25-178.2-75.5-83.1000113W244 V245 G252 H253 L254 T261 V262W244-N248 HydrophobicContact CZ3-CB 4.5Å; W244-N248 PolarHBondContact NE1-ND2 3.18Å; W244-N248 VanDerWaalsContact NE1-ND2 3.19Å; W244-N248 WeakPolarHBondContact O-CB 3.5Å; W244-N248 PolarHBondContact O-N 3.34Å; W244-N248 PolarHBondContact O-ND2 3.05Å; V245-N248 PolarHBondContact O-N 3.34Å; N248-G252 PolarHBondContact O-N 3.37Å; N248-H253 HydrophobicContact CB-CB 4.19Å; N248-H253 PolarHBondContact O-N 2.76Å; N248-H253 PolarHBondContact OD1-CD2 3.01Å; N248-L254 HydrophobicContact CB-CD1 4.14Å; N248-L254 HydrophobicContact CB-CD2 3.89Å; N248-L254 HydrophobicContact CB-CG 3.77Å; N248-L254 PolarHBondContact O-N 2.76Å; N248-L254 VanDerWaalsContact O-N 3.15Å; N248-T261 VanDerWaalsContact OD1-CA 3.22Å; N248-T261 WeakPolarHBondContact OD1-CA 3.5Å; N248-T261 WeakPolarHBondContact OD1-CB 3.23Å; N248-V262 PolarHBondContact ND2-O 3.37Å; N248-V262 VanDerWaalsContact ND2-O 3.12Å; N248-V262 PolarHBondContact OD1-N 3.2Å
249F91.7Very high86.5Confident10 Ų1035.2 Ų35.24%0.04418%0.176CC..Hα-helixtrans-67.5-53.7168.9175.5-92.3000110.2L142 L145 V245 T246 V247 T251 G252 L254 Y255 L487 F491L142-F249 HydrophobicContact CD1-CD2 4Å; L142-F249 HydrophobicContact CD1-CE2 3.95Å; L142-F249 HydrophobicContact CD2-CD2 4.22Å; L142-F249 HydrophobicContact CD2-CE2 3.82Å; L142-F249 HydrophobicContact CG-CE2 4.34Å; L145-F249 HydrophobicContact CB-CE1 4.07Å; L145-F249 HydrophobicContact CB-CZ 4.37Å; L145-F249 HydrophobicContact CD2-CE1 4.46Å; V245-F249 WeakPolarHBondContact O-CB 3.41Å; V245-F249 PolarHBondContact O-N 3.3Å; T246-F249 PolarHBondContact O-N 3.17Å; V247-F249 VanDerWaalsContact C-N 3.28Å; V247-F249 PolarHBondContact O-N 2.86Å; F249-T251 VanDerWaalsContact C-N 3.3Å; F249-T251 PolarHBondContact O-N 3.29Å; F249-G252 PolarHBondContact O-N 3.49Å; F249-L254 HydrophobicContact CB-CD1 3.88Å; F249-Y255 AromaticContact CD2-CE2 3.98Å; F249-Y255 HydrophobicContact CD2-CE2 3.98Å; F249-Y255 AromaticContact CE2-CE2 3.88Å; F249-Y255 HydrophobicContact CE2-CE2 3.88Å; F249-Y255 AromaticContact CE2-CZ 3.54Å; F249-Y255 WeakPolarHBondContact CE2-OH 3.46Å; F249-Y255 HydrophobicContact CZ-CE2 4.33Å; F249-Y255 AromaticContact CZ-CZ 3.96Å; F249-Y255 WeakPolarHBondContact CZ-OH 3.49Å; F249-L487 HydrophobicContact CD1-CD2 3.74Å; F249-L487 HydrophobicContact CE1-CD2 4.06Å; F249-F491 HydrophobicContact CB-CE2 4.45Å; F249-F491 AromaticContact CD1-CE2 3.76Å; F249-F491 HydrophobicContact CD1-CE2 3.76Å; F249-F491 HydrophobicContact CD1-CZ 4.16Å; F249-F491 HydrophobicContact CD2-CD2 4.5Å; F249-F491 AromaticContact CD2-CE2 3.63Å; F249-F491 HydrophobicContact CD2-CE2 3.63Å; F249-F491 AromaticContact CD2-CZ 3.94Å; F249-F491 HydrophobicContact CD2-CZ 3.94Å; F249-F491 AromaticContact CE1-CE2 3.82Å; F249-F491 HydrophobicContact CE1-CE2 3.82Å; F249-F491 AromaticContact CE1-CZ 3.72Å; F249-F491 HydrophobicContact CE1-CZ 3.72Å; F249-F491 HydrophobicContact CE2-CE1 4.36Å; F249-F491 AromaticContact CE2-CE2 3.66Å; F249-F491 HydrophobicContact CE2-CE2 3.66Å; F249-F491 AromaticContact CE2-CZ 3.44Å; F249-F491 HydrophobicContact CE2-CZ 3.44Å; F249-F491 VanDerWaalsContact CE2-CZ 3.44Å; F249-F491 AromaticContact CG-CE2 3.68Å; F249-F491 HydrophobicContact CG-CE2 3.68Å; F249-F491 HydrophobicContact CG-CZ 4.27Å; F249-F491 HydrophobicContact CZ-CE1 4.4Å; F249-F491 AromaticContact CZ-CE2 3.77Å; F249-F491 HydrophobicContact CZ-CE2 3.77Å; F249-F491 AromaticContact CZ-CZ 3.33Å; F249-F491 HydrophobicContact CZ-CZ 3.33Å
250L92.4Very high85.9Confident10 Ų1044.7 Ų44.75%0.05221%0.212CC..Hα-helixtrans-65.4-31.3-176.1-67.7173.7000112.8L145 T246 V247 G252 V478 N479 V481 L487L145-L250 HydrophobicContact CD2-CD2 4.13Å; T246-L250 HydrophobicContact CG2-CD1 3.65Å; T246-L250 HydrophobicContact CG2-CG 4.35Å; T246-L250 WeakPolarHBondContact O-CB 3.27Å; T246-L250 VanDerWaalsContact O-CG 3.26Å; T246-L250 WeakPolarHBondContact O-CG 3.04Å; T246-L250 PolarHBondContact O-N 3.35Å; V247-L250 PolarHBondContact O-N 2.99Å; L250-G252 VanDerWaalsContact C-N 3.3Å; L250-V478 HydrophobicContact CB-CB 3.92Å; L250-V478 HydrophobicContact CB-CG1 3.64Å; L250-V478 HydrophobicContact CD1-CB 4.06Å; L250-N479 PolarHBondContact O-ND2 3.21Å; L250-V481 HydrophobicContact CD1-CB 3.91Å; L250-V481 HydrophobicContact CD1-CG1 3.95Å; L250-V481 HydrophobicContact CD2-CB 3.84Å; L250-V481 HydrophobicContact CD2-CG1 4.13Å; L250-V481 HydrophobicContact CD2-CG2 3.92Å; L250-L487 HydrophobicContact CD1-CD2 4.33Å; L250-L487 HydrophobicContact CD2-CD2 3.8Å; L250-L487 HydrophobicContact CG-CD2 3.99Å
251T91.2Very high85.6Confident36 Ų3645.7 Ų45.722%0.22122%0.218CC..THydrogen-bonded Turntrans-87.45.1175.864.50000113.7V247 F249 H253 Y398 V478V247-T251 HydrophobicContact CG1-CG2 4.28Å; V247-T251 WeakPolarHBondContact O-CG2 3.47Å; V247-T251 PolarHBondContact O-N 3.46Å; V247-T251 PolarHBondContact O-OG1 3.04Å; V247-T251 VanDerWaalsContact O-OG1 3.05Å; F249-T251 VanDerWaalsContact C-N 3.3Å; F249-T251 PolarHBondContact O-N 3.29Å; T251-H253 VanDerWaalsContact C-N 3.3Å; T251-H253 PolarHBondContact O-N 2.91Å; T251-H253 PolarHBondContact OG1-CD2 3.14Å; T251-H253 PolarHBondContact OG1-NE2 3.46Å; T251-Y398 HydrophobicContact CG2-CE2 4.34Å; T251-V478 HydrophobicContact CG2-CG1 3.99Å
252G88.5Confident85.6Confident29 Ų2946.1 Ų46.130%0.29922%0.22SC..THydrogen-bonded Turntrans82-1.4174.200000115.4N248 F249 L250 L254 Y255N248-G252 PolarHBondContact O-N 3.37Å; F249-G252 PolarHBondContact O-N 3.49Å; L250-G252 VanDerWaalsContact C-N 3.3Å; G252-L254 VanDerWaalsContact C-N 3.32Å; G252-L254 PolarHBondContact O-N 3.45Å; G252-Y255 PolarHBondContact O-N 2.91Å
253H88Confident85.6Confident50 Ų5046 Ų4623%0.23122%0.22CC..G310 helixtrans-66.1-34-175.3-66-46.1000112.6N248 T251 Y255 S256 R260 T261N248-H253 HydrophobicContact CB-CB 4.19Å; N248-H253 PolarHBondContact O-N 2.76Å; N248-H253 PolarHBondContact OD1-CD2 3.01Å; T251-H253 VanDerWaalsContact C-N 3.3Å; T251-H253 PolarHBondContact O-N 2.91Å; T251-H253 PolarHBondContact OG1-CD2 3.14Å; T251-H253 PolarHBondContact OG1-NE2 3.46Å; H253-Y255 VanDerWaalsContact C-N 3.3Å; H253-Y255 PolarHBondContact O-N 2.8Å; H253-S256 PolarHBondContact O-N 2.86Å; H253-S256 PolarHBondContact O-OG 2.86Å; H253-R260 PolarHBondContact ND1-O 3.04Å; H253-T261 HydrophobicContact CB-CG2 4.27Å
254L84Confident85.6Confident13 Ų1346 Ų467%0.06822%0.22CC..G310 helixtrans-73.9-17179.8-58.2178.6000114W244 V245 N248 F249 G252 L297W244-L254 HydrophobicContact CH2-CD2 4.01Å; W244-L254 HydrophobicContact CZ3-CD2 3.91Å; V245-L254 HydrophobicContact CG1-CD1 4.11Å; V245-L254 WeakPolarHBondContact O-CD1 3.25Å; N248-L254 HydrophobicContact CB-CD1 4.14Å; N248-L254 HydrophobicContact CB-CD2 3.89Å; N248-L254 HydrophobicContact CB-CG 3.77Å; N248-L254 PolarHBondContact O-N 2.76Å; N248-L254 VanDerWaalsContact O-N 3.15Å; F249-L254 HydrophobicContact CB-CD1 3.88Å; G252-L254 VanDerWaalsContact C-N 3.32Å; G252-L254 PolarHBondContact O-N 3.45Å; L254-L297 HydrophobicContact CD1-CD2 3.75Å; L254-L297 HydrophobicContact CD2-CD2 4.01Å; L254-L297 HydrophobicContact CG-CD2 4.36Å
255Y74.7Confident85.7Confident111 Ų11146 Ų4644%0.43522%0.22SC..G310 helixtrans-84.5-21.8177.6-67.1-85.9000113.5L142 F249 G252 H253 N257L142-Y255 HydrophobicContact CB-CD1 4.22Å; L142-Y255 HydrophobicContact CB-CE1 3.5Å; L142-Y255 VanDerWaalsContact CB-CE1 3.5Å; L142-Y255 HydrophobicContact CD1-CD1 3.8Å; L142-Y255 HydrophobicContact CD1-CD2 4.5Å; L142-Y255 HydrophobicContact CD1-CE1 3.54Å; L142-Y255 HydrophobicContact CD1-CE2 4.29Å; L142-Y255 HydrophobicContact CD1-CG 4.3Å; L142-Y255 HydrophobicContact CG-CE1 4.17Å; F249-Y255 AromaticContact CD2-CE2 3.98Å; F249-Y255 HydrophobicContact CD2-CE2 3.98Å; F249-Y255 AromaticContact CE2-CE2 3.88Å; F249-Y255 HydrophobicContact CE2-CE2 3.88Å; F249-Y255 AromaticContact CE2-CZ 3.54Å; F249-Y255 WeakPolarHBondContact CE2-OH 3.46Å; F249-Y255 HydrophobicContact CZ-CE2 4.33Å; F249-Y255 AromaticContact CZ-CZ 3.96Å; F249-Y255 WeakPolarHBondContact CZ-OH 3.49Å; G252-Y255 PolarHBondContact O-N 2.91Å; H253-Y255 VanDerWaalsContact C-N 3.3Å; H253-Y255 PolarHBondContact O-N 2.8Å; Y255-N257 PolarHBondContact O-N 2.87Å
256S61.3Low85.8Confident52 Ų5246.2 Ų46.236%0.36422%0.221SC..SBendtrans-89.70.1-158.865.90000115.7H253 T258H253-S256 PolarHBondContact O-N 2.86Å; H253-S256 PolarHBondContact O-OG 2.86Å; S256-T258 WeakPolarHBondContact O-CG2 3.41Å; S256-T258 PolarHBondContact O-N 3.12Å; S256-T258 WeakPolarHBondContact OG-CB 3.48Å; S256-T258 PolarHBondContact OG-N 2.84Å; S256-T258 PolarHBondContact OG-OG1 2.88Å
257N59.8Low85.9Confident131 Ų13146.2 Ų46.270%0.70122%0.221SC*.SBendtrans49.514.1-166.2-149.511.8000113.7Y255 H300Y255-N257 PolarHBondContact O-N 2.87Å; N257-H300 PolarHBondContact OD1-NE2 2.73Å
258T61.3Low85.9Confident60 Ų6047 Ų4737%0.36823%0.229SC..  trans-94135.4176.875.20000109.1S256 R260S256-T258 WeakPolarHBondContact O-CG2 3.41Å; S256-T258 PolarHBondContact O-N 3.12Å; S256-T258 WeakPolarHBondContact OG-CB 3.48Å; S256-T258 PolarHBondContact OG-N 2.84Å; S256-T258 PolarHBondContact OG-OG1 2.88Å; T258-R260 PolarHBondContact O-N 3.28Å
259R66.9Low85.9Confident225 Ų22547 Ų4785%0.84923%0.23SC*.  trans-7517.4172-62.6-171.5178.7-164.6-0.9112.9T261R259-T261 PolarHBondContact O-N 3.31Å
260R82.1Confident85.9Confident205 Ų20546.5 Ų46.577%0.77423%0.228SC*.  trans-92.581.3-178.3-67.7-174.8179.6179.31.4108.8H253 T258H253-R260 PolarHBondContact ND1-O 3.04Å; T258-R260 PolarHBondContact O-N 3.28Å
261T91.2Very high86.1Confident22 Ų2246.1 Ų46.114%0.13523%0.225CC..PPolyproline II helixtrans-101.8165.1177.352.90000110.6W244 N248 H253 R259 L277W244-T261 HydrophobicContact CH2-CG2 3.73Å; W244-T261 VanDerWaalsContact CZ2-CB 3.44Å; W244-T261 HydrophobicContact CZ2-CG2 3.51Å; N248-T261 VanDerWaalsContact OD1-CA 3.22Å; N248-T261 WeakPolarHBondContact OD1-CA 3.5Å; N248-T261 WeakPolarHBondContact OD1-CB 3.23Å; H253-T261 HydrophobicContact CB-CG2 4.27Å; R259-T261 PolarHBondContact O-N 3.31Å; T261-L277 HydrophobicContact CG2-CD2 4.43Å; T261-L277 WeakPolarHBondContact OG1-CB 3.33Å; T261-L277 WeakPolarHBondContact OG1-CD2 3.49Å
262V93.8Very high86.4Confident8 Ų844.4 Ų44.45%0.04822%0.215CC..PPolyproline II helixtrans-103.8153.9173.5-61.70000110.4W244 V247 N248 I396 Y398W244-V262 VanDerWaalsContact CD1-O 3.3Å; W244-V262 PolarHBondContact NE1-O 2.92Å; V247-V262 HydrophobicContact CG1-CG2 3.63Å; N248-V262 PolarHBondContact ND2-O 3.37Å; N248-V262 VanDerWaalsContact ND2-O 3.12Å; N248-V262 PolarHBondContact OD1-N 3.2Å; V262-I396 HydrophobicContact CG1-CB 4.06Å; V262-I396 HydrophobicContact CG1-CG2 4.02Å; V262-Y398 HydrophobicContact CB-CD2 4.1Å; V262-Y398 HydrophobicContact CB-CE2 4.38Å; V262-Y398 HydrophobicContact CG1-CD2 4.42Å; V262-Y398 HydrophobicContact CG1-CE2 4.21Å; V262-Y398 HydrophobicContact CG2-CD2 3.76Å; V262-Y398 HydrophobicContact CG2-CE2 4.1Å
263G96.2Very high86.9Confident3 Ų343 Ų433%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-83.7164.3168.800000111.8T275 I396 F397 Y398G263-T275 CarbonylContact C-O 3.56Å; G263-T275 WeakPolarHBondContact CA-O 3.24Å; G263-I396 PolarHBondContact N-O 3.2Å; G263-F397 CarbonylContact O-C 3.26Å; G263-F397 WeakPolarHBondContact O-CA 3.42Å; G263-Y398 PolarHBondContact O-N 3.25Å
264I97.8Very high87.3Confident0 Ų040.6 Ų40.60%019%0.19CC..EExtended strand (participates in β ladder)trans-127.1150.8175.264.183.1000111.6A243 W244 V247 I274 T275 Y398 F400A243-I264 HydrophobicContact CB-CD1 4.13Å; A243-I264 HydrophobicContact CB-CG1 4.43Å; W244-I264 HydrophobicContact CB-CG1 3.99Å; V247-I264 HydrophobicContact CB-CG2 3.77Å; V247-I264 HydrophobicContact CG1-CG2 4.11Å; V247-I264 HydrophobicContact CG2-CG2 3.66Å; I264-I274 WeakPolarHBondContact O-CA 3.11Å; I264-T275 PolarHBondContact N-O 3.09Å; I264-T275 PolarHBondContact O-N 3.11Å; I264-T275 VanDerWaalsContact O-N 3.13Å; I264-Y398 CarbonylContact C-O 3.5Å; I264-Y398 VanDerWaalsContact CA-O 3.27Å; I264-Y398 WeakPolarHBondContact CA-O 2.92Å; I264-F400 HydrophobicContact CB-CE1 3.97Å; I264-F400 HydrophobicContact CG2-CE1 4.27Å
265L98.3Very high88Confident0 Ų040 Ų400%019%0.186CC..EExtended strand (participates in β ladder)trans-129.8115.1168-58.2175.6000108.1Q273 I274 F397 Y398 A399 F400 Y403 L460 F464 F466 L472L265-Q273 WeakPolarHBondContact CA-O 3.22Å; L265-I274 HydrophobicContact CD2-CB 3.76Å; L265-I274 HydrophobicContact CD2-CD1 3.79Å; L265-I274 HydrophobicContact CD2-CG1 3.65Å; L265-F397 HydrophobicContact CD2-CD1 4.23Å; L265-F397 HydrophobicContact CG-CD1 4.1Å; L265-Y398 PolarHBondContact N-O 2.96Å; L265-A399 HydrophobicContact CB-CB 3.99Å; L265-A399 HydrophobicContact CD1-CB 4.29Å; L265-A399 VanDerWaalsContact O-CA 3.31Å; L265-A399 WeakPolarHBondContact O-CA 3.31Å; L265-F400 PolarHBondContact O-N 3.31Å; L265-F400 VanDerWaalsContact O-N 3.09Å; L265-Y403 HydrophobicContact CB-CD2 4.27Å; L265-Y403 HydrophobicContact CB-CE2 3.73Å; L265-L460 HydrophobicContact CD1-CD2 3.73Å; L265-F464 HydrophobicContact CD2-CD2 4.17Å; L265-F464 HydrophobicContact CD2-CE2 3.98Å; L265-F466 HydrophobicContact CD1-CE2 3.81Å; L265-F466 HydrophobicContact CD1-CZ 3.99Å; L265-F466 HydrophobicContact CD2-CE2 4.12Å; L265-F466 HydrophobicContact CD2-CZ 4.26Å; L265-L472 HydrophobicContact CD1-CD2 4.11Å
266D98.1Very high89Confident5 Ų535 Ų353%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-107.8125.8174-168.7-2.1000108.9T272 Q273 F400 S401D266-T272 CarbonylContact O-C 3.5Å; D266-T272 WeakPolarHBondContact O-CA 3.35Å; D266-T272 WeakPolarHBondContact O-CB 3.42Å; D266-T272 PolarHBondContact O-OG1 3.33Å; D266-Q273 HydrophobicContact CB-CB 4.18Å; D266-Q273 PolarHBondContact N-O 3.09Å; D266-Q273 PolarHBondContact O-N 2.78Å; D266-Q273 PolarHBondContact O-OE1 2.8Å; D266-F400 HydrophobicContact CB-CD2 4.36Å; D266-F400 HydrophobicContact CB-CE2 3.54Å; D266-F400 HydrophobicContact CB-CZ 3.6Å; D266-F400 WeakPolarHBondContact OD1-CE2 3.22Å; D266-F400 WeakPolarHBondContact OD2-CE2 3.49Å; D266-S401 WeakPolarHBondContact OD1-CB 3.41Å; D266-S401 PolarHBondContact OD1-OG 3.26Å
267L98Very high90.5Very high0 Ų034.1 Ų34.10%016%0.158CC..EExtended strand (participates in β ladder)trans-115.589.2173-177.860.7000109L314 S401 H402 Y403 Y455 I456 L459L267-L314 HydrophobicContact CD1-CB 4.45Å; L267-L314 HydrophobicContact CD2-CB 4.32Å; L267-L314 HydrophobicContact CD2-CD1 4.16Å; L267-L314 HydrophobicContact CG-CB 4.2Å; L267-S401 WeakPolarHBondContact O-CB 3.28Å; L267-H402 HydrophobicContact CB-CB 4.31Å; L267-H402 HydrophobicContact CD2-CB 4.08Å; L267-H402 HydrophobicContact CG-CB 3.98Å; L267-H402 VanDerWaalsContact O-CB 3.24Å; L267-H402 WeakPolarHBondContact O-CB 3.21Å; L267-H402 PolarHBondContact O-CD2 3.19Å; L267-H402 PolarHBondContact O-N 3.15Å; L267-Y403 HydrophobicContact CB-CD2 3.47Å; L267-Y403 VanDerWaalsContact CB-CD2 3.47Å; L267-Y403 HydrophobicContact CB-CE2 3.37Å; L267-Y403 HydrophobicContact CB-CG 4.15Å; L267-Y403 HydrophobicContact CD2-CD1 4.26Å; L267-Y403 HydrophobicContact CD2-CD2 4.47Å; L267-Y403 HydrophobicContact CD2-CE1 4.14Å; L267-Y403 HydrophobicContact CD2-CE2 4.36Å; L267-Y403 HydrophobicContact CD2-CG 4.41Å; L267-Y403 HydrophobicContact CG-CE2 4.42Å; L267-Y455 HydrophobicContact CD1-CE1 4.19Å; L267-I456 HydrophobicContact CD2-CD1 4.14Å; L267-I456 HydrophobicContact CD2-CG1 3.7Å; L267-L459 HydrophobicContact CD1-CD2 4.19Å
268G95.9Very high92Very high16 Ų1629 Ų2917%0.16513%0.132CC..  trans-75.7-17617100000112.5S271 G313 L314G268-S271 CarbonylContact C-O 3.46Å; G268-S271 WeakPolarHBondContact CA-O 3.42Å; G268-S271 PolarHBondContact N-O 2.97Å; G268-G313 CarbonylContact O-C 3.56Å; G268-G313 WeakPolarHBondContact O-CA 3.38Å; G268-L314 PolarHBondContact O-N 3.2Å
269G93.5Very high93.3Very high1 Ų132.7 Ų32.71%0.0114%0.143CC..SBendtrans-76.7-40.217800000113.6S124 G313 L314 V315 A316S124-G269 WeakPolarHBondContact OG-CA 3.31Å; S124-G269 PolarHBondContact OG-N 3.21Å; G269-G313 CarbonylContact O-C 3.47Å; G269-G313 WeakPolarHBondContact O-CA 3.22Å; G269-L314 PolarHBondContact O-N 3.15Å; G269-V315 PolarHBondContact O-N 2.71Å; G269-A316 PolarHBondContact O-N 3.19Å
270G92.1Very high94.2Very high0 Ų024.2 Ų24.20%012%0.118CC..SBendtrans-103.1-21.6-177.500000115.7S124 G311 N312 G313S124-G270 PolarHBondContact OG-N 3.44Å; S124-G270 VanDerWaalsContact OG-N 3.12Å; G270-G311 CarbonylContact O-C 3.06Å; G270-G311 VanDerWaalsContact O-CA 3.28Å; G270-G311 WeakPolarHBondContact O-CA 3.27Å; G270-G311 PolarHBondContact O-N 3.02Å; G270-N312 PolarHBondContact O-N 2.81Å; G270-G313 VanDerWaalsContact C-N 3.35Å; G270-G313 PolarHBondContact O-N 2.82Å
271S95.8Very high94.3Very high1 Ų122.5 Ų22.51%0.00712%0.116CC..EExtended strand (participates in β ladder)trans-142.3167.1176.956.30000111.7A198 R201 G268 Q273 Y309 G313A198-S271 WeakPolarHBondContact CB-OG 3.18Å; R201-S271 PolarHBondContact NH2-OG 2.67Å; G268-S271 CarbonylContact C-O 3.46Å; G268-S271 WeakPolarHBondContact CA-O 3.42Å; G268-S271 PolarHBondContact N-O 2.97Å; S271-Q273 PolarHBondContact OG-NE2 2.93Å; S271-Y309 VanDerWaalsContact CA-O 3.28Å; S271-Y309 WeakPolarHBondContact CA-O 3.41Å; S271-Y309 WeakPolarHBondContact CB-O 3.33Å; S271-G313 VanDerWaalsContact C-CA 3.47Å; S271-G313 VanDerWaalsContact CA-N 3.35Å; S271-G313 VanDerWaalsContact O-CA 3.29Å; S271-G313 WeakPolarHBondContact O-CA 3.41Å
272T97.9Very high94.1Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-131.7144167.1-173.50000110.4D266 S308 Y309 N312 F385 L459 F464D266-T272 CarbonylContact O-C 3.5Å; D266-T272 WeakPolarHBondContact O-CA 3.35Å; D266-T272 WeakPolarHBondContact O-CB 3.42Å; D266-T272 PolarHBondContact O-OG1 3.33Å; T272-S308 WeakPolarHBondContact O-CA 3.46Å; T272-Y309 HydrophobicContact CG2-CD2 4.27Å; T272-Y309 PolarHBondContact N-O 3.31Å; T272-Y309 PolarHBondContact O-N 2.97Å; T272-N312 HydrophobicContact CG2-CB 4.26Å; T272-N312 WeakPolarHBondContact CG2-O 3.32Å; T272-F385 HydrophobicContact CG2-CE1 4.05Å; T272-L459 HydrophobicContact CG2-CD1 4.46Å; T272-L459 HydrophobicContact CG2-CD2 4.13Å; T272-F464 HydrophobicContact CG2-CZ 4.28Å
273Q97.9Very high93.8Very high0 Ų026.7 Ų26.70%013%0.132CC..EExtended strand (participates in β ladder)trans-121144.3-175.7-62.775.95.500110.3E239 L265 D266 S271 H307E239-Q273 HydrophobicContact CG-CG 4.49Å; E239-Q273 PolarHBondContact OE1-NE2 3.34Å; E239-Q273 PolarHBondContact OE2-NE2 2.97Å; L265-Q273 WeakPolarHBondContact CA-O 3.22Å; D266-Q273 HydrophobicContact CB-CB 4.18Å; D266-Q273 PolarHBondContact N-O 3.09Å; D266-Q273 PolarHBondContact O-N 2.78Å; D266-Q273 PolarHBondContact O-OE1 2.8Å; S271-Q273 PolarHBondContact OG-NE2 2.93Å; Q273-H307 VanDerWaalsContact CA-O 3.31Å; Q273-H307 WeakPolarHBondContact CA-O 3.38Å
274I97.5Very high93.4Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-130.5125.1167.6175.2168.1000107.8I264 L265 F276 Y305 T306 H307 Y309 P388 V391 F397 F464I264-I274 WeakPolarHBondContact O-CA 3.11Å; L265-I274 HydrophobicContact CD2-CB 3.76Å; L265-I274 HydrophobicContact CD2-CD1 3.79Å; L265-I274 HydrophobicContact CD2-CG1 3.65Å; I274-F276 HydrophobicContact CD1-CD1 4.48Å; I274-F276 HydrophobicContact CD1-CE1 4.26Å; I274-F276 HydrophobicContact CG1-CD1 4.14Å; I274-F276 HydrophobicContact CG1-CE1 4.28Å; I274-Y305 HydrophobicContact CG1-CE1 4.4Å; I274-Y305 HydrophobicContact CG2-CE1 3.98Å; I274-T306 WeakPolarHBondContact O-CA 3.25Å; I274-H307 PolarHBondContact N-O 3.16Å; I274-H307 VanDerWaalsContact N-O 3.09Å; I274-H307 PolarHBondContact O-N 2.9Å; I274-Y309 HydrophobicContact CG2-CE2 3.97Å; I274-P388 HydrophobicContact CD1-CG 4.29Å; I274-V391 HydrophobicContact CD1-CG1 3.95Å; I274-F397 HydrophobicContact CD1-CE1 4.39Å; I274-F397 HydrophobicContact CG1-CE1 4.31Å; I274-F464 HydrophobicContact CB-CE1 4.25Å; I274-F464 HydrophobicContact CB-CZ 4.27Å; I274-F464 HydrophobicContact CD1-CD1 4.27Å; I274-F464 HydrophobicContact CD1-CG 4.26Å; I274-F464 HydrophobicContact CG2-CD1 4.26Å; I274-F464 HydrophobicContact CG2-CE1 3.79Å; I274-F464 HydrophobicContact CG2-CZ 4.23Å
275T97.3Very high92.8Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-143.3131.6-178.1-52.50000110.8G240 W244 G263 I264 L304 Y305 T306G240-T275 VanDerWaalsContact C-OG1 3.24Å; G240-T275 VanDerWaalsContact CA-OG1 3.24Å; G240-T275 WeakPolarHBondContact CA-OG1 3.24Å; G240-T275 PolarHBondContact O-OG1 3.46Å; W244-T275 HydrophobicContact CB-CG2 3.71Å; W244-T275 HydrophobicContact CG-CG2 4.03Å; G263-T275 CarbonylContact C-O 3.56Å; G263-T275 WeakPolarHBondContact CA-O 3.24Å; I264-T275 PolarHBondContact N-O 3.09Å; I264-T275 PolarHBondContact O-N 3.11Å; I264-T275 VanDerWaalsContact O-N 3.13Å; T275-L304 HydrophobicContact CG2-CB 4.27Å; T275-L304 HydrophobicContact CG2-CD1 3.77Å; T275-Y305 CarbonylContact C-O 3.57Å; T275-Y305 VanDerWaalsContact CA-O 3.24Å; T275-Y305 WeakPolarHBondContact CA-O 3.25Å; T275-T306 PolarHBondContact OG1-OG1 3.1Å
276F95.6Very high92.4Very high5 Ų539 Ų392%0.02220%0.195CC..EExtended strand (participates in β ladder)trans-158.3157.8176.461.2-86.6000111.2I274 P278 T283 Y305 P388 E390 V391 F397I274-F276 HydrophobicContact CD1-CD1 4.48Å; I274-F276 HydrophobicContact CD1-CE1 4.26Å; I274-F276 HydrophobicContact CG1-CD1 4.14Å; I274-F276 HydrophobicContact CG1-CE1 4.28Å; F276-P278 HydrophobicContact CD2-CG 4.21Å; F276-P278 HydrophobicContact CE2-CB 4.14Å; F276-P278 HydrophobicContact CE2-CG 3.93Å; F276-P278 VanDerWaalsContact O-CD 3.27Å; F276-P278 WeakPolarHBondContact O-CD 3.18Å; F276-T283 HydrophobicContact CE2-CG2 4.04Å; F276-T283 HydrophobicContact CZ-CG2 3.98Å; F276-Y305 AromaticContact CD1-CD1 3.84Å; F276-Y305 HydrophobicContact CD1-CD1 3.84Å; F276-Y305 HydrophobicContact CD1-CG 4.46Å; F276-Y305 AromaticContact CE1-CD1 3.21Å; F276-Y305 HydrophobicContact CE1-CD1 3.21Å; F276-Y305 AromaticContact CE1-CE1 3.83Å; F276-Y305 HydrophobicContact CE1-CE1 3.83Å; F276-Y305 AromaticContact CE1-CG 3.73Å; F276-Y305 HydrophobicContact CE1-CG 3.73Å; F276-Y305 AromaticContact CZ-CD1 3.76Å; F276-Y305 HydrophobicContact CZ-CD1 3.76Å; F276-Y305 HydrophobicContact CZ-CE1 4.46Å; F276-Y305 AromaticContact CZ-CG 3.77Å; F276-Y305 HydrophobicContact CZ-CG 3.77Å; F276-Y305 PolarHBondContact N-O 3.24Å; F276-Y305 PolarHBondContact O-N 3.35Å; F276-P388 HydrophobicContact CE1-CB 4.28Å; F276-P388 HydrophobicContact CE1-CG 4.07Å; F276-P388 HydrophobicContact CZ-CB 3.91Å; F276-P388 HydrophobicContact CZ-CG 4.2Å; F276-E390 HydrophobicContact CE2-CB 3.93Å; F276-E390 HydrophobicContact CE2-CG 4.23Å; F276-E390 HydrophobicContact CZ-CB 4.25Å; F276-V391 HydrophobicContact CE1-CG1 4.5Å; F276-F397 HydrophobicContact CB-CE1 4.03Å; F276-F397 HydrophobicContact CB-CZ 4.12Å; F276-F397 AromaticContact CD1-CE1 3.76Å; F276-F397 HydrophobicContact CD1-CE1 3.76Å; F276-F397 AromaticContact CD1-CZ 3.75Å; F276-F397 HydrophobicContact CD1-CZ 3.75Å; F276-F397 HydrophobicContact CE1-CZ 4.33Å; F276-F397 HydrophobicContact CG-CE1 4.12Å; F276-F397 AromaticContact CG-CZ 3.93Å; F276-F397 HydrophobicContact CG-CZ 3.93Å
277L93.3Very high92Very high34 Ų3439.3 Ų39.318%0.17820%0.198CC..  trans-81.2114.3169.8-179.564.9000108.9W244 T261 Y302 E303 L304W244-L277 HydrophobicContact CZ2-CB 4.02Å; T261-L277 HydrophobicContact CG2-CD2 4.43Å; T261-L277 WeakPolarHBondContact OG1-CB 3.33Å; T261-L277 WeakPolarHBondContact OG1-CD2 3.49Å; L277-Y302 HydrophobicContact CD1-CD1 4.34Å; L277-Y302 HydrophobicContact CD2-CD1 4.31Å; L277-E303 WeakPolarHBondContact CD1-O 3.44Å; L277-L304 HydrophobicContact CB-CD2 3.76Å; L277-L304 HydrophobicContact CD1-CD2 3.93Å; L277-L304 HydrophobicContact CG-CD2 4.46Å
278P91.8Very high91.7Very high23 Ų2341.8 Ų41.815%0.14921%0.214CC..  trans-69.8136-177.8-22.938.7000112.1F276 T283 I284 E303 E390F276-P278 HydrophobicContact CD2-CG 4.21Å; F276-P278 HydrophobicContact CE2-CB 4.14Å; F276-P278 HydrophobicContact CE2-CG 3.93Å; F276-P278 VanDerWaalsContact O-CD 3.27Å; F276-P278 WeakPolarHBondContact O-CD 3.18Å; P278-T283 HydrophobicContact CB-CG2 3.98Å; P278-T283 HydrophobicContact CG-CG2 4.17Å; P278-I284 HydrophobicContact CB-CD1 4.47Å; P278-I284 HydrophobicContact CB-CG1 4.29Å; P278-I284 HydrophobicContact CG-CD1 3.71Å; P278-I284 HydrophobicContact CG-CG1 4.07Å; P278-E303 VanDerWaalsContact CD-O 3.29Å; P278-E303 WeakPolarHBondContact CD-O 3.36Å; P278-E390 VanDerWaalsContact CA-OE2 3.28Å; P278-E390 WeakPolarHBondContact CA-OE2 3.38Å
279K87.7Confident91.2Very high139 Ų13951 Ų5160%0.60424%0.244SC*.SBendtrans-84.5-24.8172.8-66.7170.1-179.4165.70112.1E390 S395K279-E390 VanDerWaalsContact CB-OE1 3.31Å; K279-E390 WeakPolarHBondContact CB-OE1 3.09Å; K279-E390 VanDerWaalsContact CG-OE1 3.31Å; K279-E390 WeakPolarHBondContact CG-OE1 3.16Å; K279-E390 PolarHBondContact N-OE1 3.38Å; K279-E390 PolarHBondContact N-OE2 3.11Å; K279-S395 WeakPolarHBondContact CE-OG 3.42Å; K279-S395 PolarHBondContact NZ-OG 2.88Å
280S86.4Confident91Very high46 Ų4654 Ų5432%0.32227%0.265SS..  trans-109.2127.7179.3-177.70000111.1K282 T283 E390S280-K282 PolarHBondContact O-N 2.68Å; S280-K282 WeakPolarHBondContact OG-CB 3.27Å; S280-K282 PolarHBondContact OG-N 3.2Å; S280-T283 VanDerWaalsContact O-CB 3.28Å; S280-T283 WeakPolarHBondContact O-CB 3.36Å; S280-T283 PolarHBondContact O-N 3.23Å; S280-T283 PolarHBondContact O-OG1 3.03Å; S280-E390 PolarHBondContact N-OE2 2.99Å
281K84.6Confident91.1Very high170 Ų17055.1 Ų55.174%0.73927%0.269SS*.Hα-helixtrans-55.7-34.1171.8-70.1-171.9176.6-174.90112.1T283 I284 E285K281-T283 PolarHBondContact O-N 3.41Å; K281-T283 VanDerWaalsContact O-N 3.16Å; K281-I284 PolarHBondContact O-N 3.22Å; K281-E285 WeakPolarHBondContact O-CG 3.46Å; K281-E285 PolarHBondContact O-N 2.84Å
282K86.2Confident90.9Very high117 Ų11755.4 Ų55.451%0.50927%0.271SS..Hα-helixtrans-56.6-33176.4-171.4172.7-177172.90112.3S280 I284 E285 V286S280-K282 PolarHBondContact O-N 2.68Å; S280-K282 WeakPolarHBondContact OG-CB 3.27Å; S280-K282 PolarHBondContact OG-N 3.2Å; K282-I284 VanDerWaalsContact C-N 3.32Å; K282-I284 PolarHBondContact O-N 2.93Å; K282-E285 PolarHBondContact O-N 2.81Å; K282-V286 HydrophobicContact CG-CG1 4.04Å; K282-V286 WeakPolarHBondContact O-CG1 3.38Å; K282-V286 WeakPolarHBondContact O-CG2 3.39Å; K282-V286 PolarHBondContact O-N 3.33Å; K282-V286 VanDerWaalsContact O-N 3.08Å
283T88Confident90.7Very high0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-62-41.5177.4-56.60000111.3F276 P278 S280 K281 A287 Y305 P388 E390F276-T283 HydrophobicContact CE2-CG2 4.04Å; F276-T283 HydrophobicContact CZ-CG2 3.98Å; P278-T283 HydrophobicContact CB-CG2 3.98Å; P278-T283 HydrophobicContact CG-CG2 4.17Å; S280-T283 VanDerWaalsContact O-CB 3.28Å; S280-T283 WeakPolarHBondContact O-CB 3.36Å; S280-T283 PolarHBondContact O-N 3.23Å; S280-T283 PolarHBondContact O-OG1 3.03Å; K281-T283 PolarHBondContact O-N 3.41Å; K281-T283 VanDerWaalsContact O-N 3.16Å; T283-A287 WeakPolarHBondContact O-CB 3.45Å; T283-A287 PolarHBondContact O-N 2.83Å; T283-Y305 HydrophobicContact CG2-CD2 4.48Å; T283-P388 HydrophobicContact CG2-CB 4.43Å; T283-E390 HydrophobicContact CG2-CB 4.42Å; T283-E390 PolarHBondContact OG1-OE2 3.41Å
284I87Confident90.3Very high36 Ų3658.6 Ų58.619%0.18529%0.285CS..Hα-helixtrans-72.6-45.3176.9-65-65.6000110.5P278 K281 K282 V286 A287 T292 E303P278-I284 HydrophobicContact CB-CD1 4.47Å; P278-I284 HydrophobicContact CB-CG1 4.29Å; P278-I284 HydrophobicContact CG-CD1 3.71Å; P278-I284 HydrophobicContact CG-CG1 4.07Å; K281-I284 PolarHBondContact O-N 3.22Å; K282-I284 VanDerWaalsContact C-N 3.32Å; K282-I284 PolarHBondContact O-N 2.93Å; I284-V286 VanDerWaalsContact C-N 3.29Å; I284-V286 PolarHBondContact O-N 3.19Å; I284-A287 PolarHBondContact O-N 3.25Å; I284-T292 HydrophobicContact CD1-CG2 3.65Å; I284-T292 HydrophobicContact CG2-CG2 4.22Å; I284-E303 HydrophobicContact CD1-CG 4.1Å
285E87.1Confident89.8Confident145 Ų14558.6 Ų58.668%0.67829%0.285SS*.Hα-helixtrans-61.4-34.3-176.9-70.6166.7-173.200113.6K281 K282K281-E285 WeakPolarHBondContact O-CG 3.46Å; K281-E285 PolarHBondContact O-N 2.84Å; K282-E285 PolarHBondContact O-N 2.81Å
286V88.5Confident89.1Confident82 Ų8261.9 Ų61.950%0.49730%0.302SS..Hα-helixtrans-95.7-14.1-179.4-53.20000113.5K282 I284K282-V286 HydrophobicContact CG-CG1 4.04Å; K282-V286 WeakPolarHBondContact O-CG1 3.38Å; K282-V286 WeakPolarHBondContact O-CG2 3.39Å; K282-V286 PolarHBondContact O-N 3.33Å; K282-V286 VanDerWaalsContact O-N 3.08Å; I284-V286 VanDerWaalsContact C-N 3.29Å; I284-V286 PolarHBondContact O-N 3.19Å
287A89.6Confident88.3Confident11 Ų1161.7 Ų61.79%0.09130%0.302CS..SBendtrans-70.3148177.700000110.1T283 I284 F291 Y305T283-A287 WeakPolarHBondContact O-CB 3.45Å; T283-A287 PolarHBondContact O-N 2.83Å; I284-A287 PolarHBondContact O-N 3.25Å; A287-F291 HydrophobicContact CB-CB 4.39Å; A287-Y305 HydrophobicContact CB-CD2 3.97Å; A287-Y305 HydrophobicContact CB-CE2 3.97Å
288P91.8Very high87.1Confident51 Ų5163.2 Ų63.233%0.33131%0.307SS..  trans-54143.9166-21.932.4000110.4S290 F291P288-S290 PolarHBondContact O-N 3.42Å; P288-F291 HydrophobicContact CB-CB 4.42Å; P288-F291 HydrophobicContact CB-CD1 3.69Å; P288-F291 HydrophobicContact CB-CE1 4.07Å; P288-F291 HydrophobicContact CB-CG 4.02Å; P288-F291 HydrophobicContact CG-CD1 3.96Å; P288-F291 HydrophobicContact CG-CD2 4.14Å; P288-F291 HydrophobicContact CG-CE1 4.09Å; P288-F291 HydrophobicContact CG-CE2 4.31Å; P288-F291 HydrophobicContact CG-CG 3.99Å; P288-F291 HydrophobicContact CG-CZ 4.28Å; P288-F291 WeakPolarHBondContact O-CA 3.37Å; P288-F291 VanDerWaalsContact O-CB 3.31Å; P288-F291 WeakPolarHBondContact O-CB 3.41Å; P288-F291 PolarHBondContact O-N 3.24Å
289R86Confident86.2Confident210 Ų21070.4 Ų70.479%0.79234%0.344SS*.G310 helixtrans-57.4-38-178.3-67.9-173.4-179.3176.6-0.2112.9F291 T292R289-F291 PolarHBondContact O-N 2.76Å; R289-T292 PolarHBondContact O-N 3.49Å; R289-T292 PolarHBondContact O-OG1 3.41Å
290S89.7Confident85.7Confident65 Ų6567.8 Ų67.846%0.45533%0.334SS..G310 helixtrans-69.1-2.2176.155.10000114.6P288P288-S290 PolarHBondContact O-N 3.42Å
291F93.5Very high85.7Confident22 Ų2270.1 Ų70.110%0.09635%0.347CS..G310 helixtrans-10210.1-179.7-72.336.7000111.5A287 P288 R289 Y305 T306 H307 H386A287-F291 HydrophobicContact CB-CB 4.39Å; P288-F291 HydrophobicContact CB-CB 4.42Å; P288-F291 HydrophobicContact CB-CD1 3.69Å; P288-F291 HydrophobicContact CB-CE1 4.07Å; P288-F291 HydrophobicContact CB-CG 4.02Å; P288-F291 HydrophobicContact CG-CD1 3.96Å; P288-F291 HydrophobicContact CG-CD2 4.14Å; P288-F291 HydrophobicContact CG-CE1 4.09Å; P288-F291 HydrophobicContact CG-CE2 4.31Å; P288-F291 HydrophobicContact CG-CG 3.99Å; P288-F291 HydrophobicContact CG-CZ 4.28Å; P288-F291 WeakPolarHBondContact O-CA 3.37Å; P288-F291 VanDerWaalsContact O-CB 3.31Å; P288-F291 WeakPolarHBondContact O-CB 3.41Å; P288-F291 PolarHBondContact O-N 3.24Å; R289-F291 PolarHBondContact O-N 2.76Å; F291-Y305 HydrophobicContact CB-CD2 4.37Å; F291-Y305 HydrophobicContact CB-CE2 4Å; F291-Y305 AromaticContact CD2-CE2 3.98Å; F291-Y305 HydrophobicContact CD2-CE2 3.98Å; F291-Y305 AromaticContact CD2-CZ 3.87Å; F291-Y305 WeakPolarHBondContact CD2-OH 3.44Å; F291-Y305 CarbonylContact O-C 3.59Å; F291-Y305 WeakPolarHBondContact O-CA 3.37Å; F291-T306 CarbonylContact C-O 3.3Å; F291-T306 VanDerWaalsContact C-O 3.3Å; F291-T306 VanDerWaalsContact CA-O 3.24Å; F291-T306 WeakPolarHBondContact CA-O 3.49Å; F291-T306 PolarHBondContact O-N 3.43Å; F291-T306 VanDerWaalsContact O-O 3.12Å; F291-H307 HydrophobicContact CD1-CB 4.39Å; F291-H307 AromaticContact CD1-CE1 3.74Å; F291-H307 AromaticContact CD1-CG 3.84Å; F291-H307 AromaticContact CD1-ND1 3.26Å; F291-H307 VanDerWaalsContact CD1-ND1 3.26Å; F291-H307 WeakPolarHBondContact CD1-ND1 3.23Å; F291-H307 HydrophobicContact CD2-CB 3.69Å; F291-H307 AromaticContact CD2-CG 3.73Å; F291-H307 AromaticContact CE1-CD2 3.92Å; F291-H307 AromaticContact CE1-CE1 3.08Å; F291-H307 WeakPolarHBondContact CE1-CE1 3.35Å; F291-H307 AromaticContact CE1-CG 3.62Å; F291-H307 AromaticContact CE1-ND1 3.08Å; F291-H307 WeakPolarHBondContact CE1-ND1 3.33Å; F291-H307 AromaticContact CE1-NE2 3.62Å; F291-H307 HydrophobicContact CE2-CB 3.82Å; F291-H307 AromaticContact CE2-CD2 3.63Å; F291-H307 AromaticContact CE2-CG 3.44Å; F291-H307 VanDerWaalsContact CE2-CG 3.44Å; F291-H307 AromaticContact CE2-ND1 3.84Å; F291-H307 HydrophobicContact CG-CB 3.99Å; F291-H307 AromaticContact CG-CG 3.91Å; F291-H307 AromaticContact CG-ND1 3.75Å; F291-H307 HydrophobicContact CZ-CB 4.26Å; F291-H307 AromaticContact CZ-CD2 3.38Å; F291-H307 WeakPolarHBondContact CZ-CD2 2.95Å; F291-H307 AromaticContact CZ-CE1 3.34Å; F291-H307 WeakPolarHBondContact CZ-CE1 3.48Å; F291-H307 AromaticContact CZ-CG 3.39Å; F291-H307 AromaticContact CZ-ND1 3.39Å; F291-H307 WeakPolarHBondContact CZ-ND1 3.39Å; F291-H307 AromaticContact CZ-NE2 3.35Å; F291-H307 VanDerWaalsContact CZ-NE2 3.35Å; F291-H307 WeakPolarHBondContact CZ-NE2 3.5Å; F291-H386 HydrophobicContact CD2-CB 4.1Å; F291-H386 HydrophobicContact CE2-CB 3.52Å; F291-H386 HydrophobicContact CZ-CB 4.47Å
292T92.2Very high85.9Confident8 Ų863.4 Ų63.45%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-116.2142.617363.20000109.8I284 R289 L304I284-T292 HydrophobicContact CD1-CG2 3.65Å; I284-T292 HydrophobicContact CG2-CG2 4.22Å; R289-T292 PolarHBondContact O-N 3.49Å; R289-T292 PolarHBondContact O-OG1 3.41Å; T292-L304 CarbonylContact C-O 3.6Å; T292-L304 VanDerWaalsContact CA-O 3.27Å; T292-L304 WeakPolarHBondContact CA-O 2.99Å
293A92.3Very high86.2Confident0 Ų061.2 Ų61.20%031%0.309CS..EExtended strand (participates in β ladder)trans-135.2132.4172.400000109.5V241 L304 T306 H500V241-A293 HydrophobicContact CG2-CB 3.81Å; A293-L304 PolarHBondContact N-O 3.32Å; A293-L304 PolarHBondContact O-N 2.9Å; A293-T306 HydrophobicContact CB-CG2 3.44Å; A293-T306 VanDerWaalsContact CB-CG2 3.44Å; A293-H500 WeakPolarHBondContact CA-O 3.2Å
294K90.6Very high86.5Confident66 Ų6661.2 Ų61.229%0.28731%0.309SS..EExtended strand (participates in β ladder)trans-102.7135.5173.4-73.1173.2179160.10109.2Y302 E303 I499 H500 D502K294-Y302 VanDerWaalsContact CA-O 3.26Å; K294-Y302 WeakPolarHBondContact CA-O 3.41Å; K294-E303 VanDerWaalsContact CE-CD 3.46Å; K294-E303 WeakPolarHBondContact CE-OE1 3.46Å; K294-E303 HydrophobicContact CG-CB 4.16Å; K294-E303 HydrophobicContact CG-CG 4.05Å; K294-E303 IonicContact NZ-OE1 3.9Å; K294-E303 PolarHBondContact NZ-OE1 3.32Å; K294-I499 WeakPolarHBondContact O-CA 3.39Å; K294-H500 PolarHBondContact N-O 2.89Å; K294-H500 PolarHBondContact O-N 3.09Å; K294-D502 VanDerWaalsContact CE-OD2 3.26Å; K294-D502 WeakPolarHBondContact CE-OD2 3.21Å; K294-D502 IonicContact NZ-OD1 3.94Å; K294-D502 IonicContact NZ-OD2 2.88Å; K294-D502 PolarHBondContact NZ-OD2 3.12Å
295F86.9Confident86.9Confident1 Ų159.5 Ų59.50%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-147.9152.617177.2-74.6000111.4V241 W244 V245 L297 T301 Y302 L304 F497 I499V241-F295 HydrophobicContact CG1-CD1 3.87Å; V241-F295 HydrophobicContact CG1-CE1 4.06Å; V241-F295 HydrophobicContact CG1-CG 4.16Å; V241-F295 HydrophobicContact CG1-CZ 4.47Å; W244-F295 HydrophobicContact CE3-CE1 4.43Å; W244-F295 HydrophobicContact CE3-CZ 4.02Å; W244-F295 HydrophobicContact CZ3-CE1 4.29Å; W244-F295 AromaticContact CZ3-CZ 3.71Å; W244-F295 HydrophobicContact CZ3-CZ 3.71Å; V245-F295 HydrophobicContact CG2-CE2 3.68Å; V245-F295 HydrophobicContact CG2-CZ 3.79Å; F295-L297 HydrophobicContact CD2-CB 3.99Å; F295-L297 HydrophobicContact CE2-CB 3.57Å; F295-L297 HydrophobicContact CE2-CD2 3.9Å; F295-L297 HydrophobicContact CE2-CG 4.25Å; F295-L297 HydrophobicContact CZ-CB 4.48Å; F295-L297 HydrophobicContact CZ-CD2 4.41Å; F295-T301 WeakPolarHBondContact O-CA 3.18Å; F295-Y302 HydrophobicContact CE1-CD2 4.29Å; F295-Y302 HydrophobicContact CE1-CG 4.02Å; F295-Y302 HydrophobicContact CE2-CD2 4.29Å; F295-Y302 AromaticContact CZ-CD2 3.94Å; F295-Y302 HydrophobicContact CZ-CD2 3.94Å; F295-Y302 HydrophobicContact CZ-CG 4.02Å; F295-Y302 PolarHBondContact N-O 3.11Å; F295-Y302 PolarHBondContact O-N 2.82Å; F295-L304 HydrophobicContact CD1-CD1 4.16Å; F295-L304 HydrophobicContact CD1-CG 4.35Å; F295-L304 HydrophobicContact CE1-CD1 3.45Å; F295-L304 VanDerWaalsContact CE1-CD1 3.45Å; F295-L304 HydrophobicContact CE1-CD2 4.42Å; F295-L304 HydrophobicContact CE1-CG 3.78Å; F295-L304 HydrophobicContact CZ-CD1 4.33Å; F295-F497 HydrophobicContact CD2-CB 4.48Å; F295-I499 HydrophobicContact CB-CB 4.21Å; F295-I499 HydrophobicContact CB-CG1 3.7Å; F295-I499 HydrophobicContact CB-CG2 4.44Å; F295-I499 HydrophobicContact CG-CG1 4.46Å
296N83.3Confident87.3Confident68 Ų6852.6 Ų52.636%0.36427%0.267SS..EExtended strand (participates in β ladder)trans-100.1126.5179.1-66.6-40.8000110H300 T301N296-H300 WeakPolarHBondContact CA-O 3.4Å; N296-T301 WeakPolarHBondContact OD1-CB 3.4Å; N296-T301 PolarHBondContact OD1-OG1 3.48Å
297L77.3Confident87.6Confident2 Ų249.7 Ų49.71%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-143.7119.6178.7179.370.1000108.8L254 F295 N299 H300 Y302 F497L254-L297 HydrophobicContact CD1-CD2 3.75Å; L254-L297 HydrophobicContact CD2-CD2 4.01Å; L254-L297 HydrophobicContact CG-CD2 4.36Å; F295-L297 HydrophobicContact CD2-CB 3.99Å; F295-L297 HydrophobicContact CE2-CB 3.57Å; F295-L297 HydrophobicContact CE2-CD2 3.9Å; F295-L297 HydrophobicContact CE2-CG 4.25Å; F295-L297 HydrophobicContact CZ-CB 4.48Å; F295-L297 HydrophobicContact CZ-CD2 4.41Å; L297-N299 PolarHBondContact O-N 3.24Å; L297-H300 PolarHBondContact N-O 3.47Å; L297-H300 WeakPolarHBondContact O-CB 3.49Å; L297-H300 PolarHBondContact O-N 3.02Å; L297-H300 VanDerWaalsContact O-O 3.13Å; L297-Y302 HydrophobicContact CB-CD2 4.06Å; L297-Y302 HydrophobicContact CB-CE2 3.9Å; L297-Y302 HydrophobicContact CD2-CE2 4.24Å; L297-Y302 HydrophobicContact CG-CE2 4.43Å; L297-F497 HydrophobicContact CD1-CD1 3.86Å; L297-F497 HydrophobicContact CD1-CE1 3.12Å; L297-F497 HydrophobicContact CD1-CE2 3.99Å; L297-F497 HydrophobicContact CD1-CZ 3.18Å; L297-F497 HydrophobicContact CG-CE1 4.49Å
298F69.6Low88Confident65 Ų6549.4 Ų49.429%0.28525%0.246SC..THydrogen-bonded Turntrans5449-178.4-48.9-54.7000114.3L142 H300L142-F298 HydrophobicContact CD1-CD2 4.25Å; L142-F298 HydrophobicContact CD1-CE1 4.28Å; L142-F298 HydrophobicContact CD1-CE2 3.49Å; L142-F298 VanDerWaalsContact CD1-CE2 3.49Å; L142-F298 HydrophobicContact CD1-CZ 3.59Å; L142-F298 HydrophobicContact CD2-CE1 3.54Å; L142-F298 HydrophobicContact CD2-CE2 3.85Å; L142-F298 HydrophobicContact CD2-CZ 3.03Å; L142-F298 HydrophobicContact CG-CD1 4.33Å; L142-F298 HydrophobicContact CG-CD2 4.47Å; L142-F298 HydrophobicContact CG-CE1 3.52Å; L142-F298 HydrophobicContact CG-CE2 3.68Å; L142-F298 HydrophobicContact CG-CZ 3.21Å; F298-H300 PolarHBondContact O-CD2 2.81Å; F298-H300 PolarHBondContact O-N 2.87Å
299N72.3Confident88.2Confident175 Ų17547.2 Ų47.294%0.93623%0.231SC*.THydrogen-bonded Turntrans59.113.3-175.8-60.1-21.6000114.4L297L297-N299 PolarHBondContact O-N 3.24Å
300H77.6Confident88.5Confident83 Ų8338.6 Ų38.638%0.38420%0.2SC..EExtended strand (participates in β ladder)trans-109.9129.7171.1-62.1-69.1000109.9N257 N296 L297 F298 Y302N257-H300 PolarHBondContact OD1-NE2 2.73Å; N296-H300 WeakPolarHBondContact CA-O 3.4Å; L297-H300 PolarHBondContact N-O 3.47Å; L297-H300 WeakPolarHBondContact O-CB 3.49Å; L297-H300 PolarHBondContact O-N 3.02Å; L297-H300 VanDerWaalsContact O-O 3.13Å; F298-H300 PolarHBondContact O-CD2 2.81Å; F298-H300 PolarHBondContact O-N 2.87Å; H300-Y302 HydrophobicContact CB-CD2 4.38Å; H300-Y302 HydrophobicContact CB-CE2 3.77Å
301T86.6Confident88.6Confident96 Ų9636.2 Ų36.259%0.58919%0.186SC*.EExtended strand (participates in β ladder)trans-86.8121.9168-51.10000108.5F295 N296F295-T301 WeakPolarHBondContact O-CA 3.18Å; N296-T301 WeakPolarHBondContact OD1-CB 3.4Å; N296-T301 PolarHBondContact OD1-OG1 3.48Å
302Y89.1Confident88.7Confident28 Ų2836.2 Ų36.211%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-100.7135.4171.4-67.5-92.1000108.9W244 L277 K294 F295 L297 H300W244-Y302 AromaticContact CH2-CD1 3.86Å; W244-Y302 HydrophobicContact CH2-CD1 3.86Å; W244-Y302 AromaticContact CH2-CE1 3.97Å; W244-Y302 HydrophobicContact CH2-CE1 3.97Å; W244-Y302 HydrophobicContact CH2-CG 4.5Å; W244-Y302 HydrophobicContact CZ3-CD1 4.49Å; L277-Y302 HydrophobicContact CD1-CD1 4.34Å; L277-Y302 HydrophobicContact CD2-CD1 4.31Å; K294-Y302 VanDerWaalsContact CA-O 3.26Å; K294-Y302 WeakPolarHBondContact CA-O 3.41Å; F295-Y302 HydrophobicContact CE1-CD2 4.29Å; F295-Y302 HydrophobicContact CE1-CG 4.02Å; F295-Y302 HydrophobicContact CE2-CD2 4.29Å; F295-Y302 AromaticContact CZ-CD2 3.94Å; F295-Y302 HydrophobicContact CZ-CD2 3.94Å; F295-Y302 HydrophobicContact CZ-CG 4.02Å; F295-Y302 PolarHBondContact N-O 3.11Å; F295-Y302 PolarHBondContact O-N 2.82Å; L297-Y302 HydrophobicContact CB-CD2 4.06Å; L297-Y302 HydrophobicContact CB-CE2 3.9Å; L297-Y302 HydrophobicContact CD2-CE2 4.24Å; L297-Y302 HydrophobicContact CG-CE2 4.43Å; H300-Y302 HydrophobicContact CB-CD2 4.38Å; H300-Y302 HydrophobicContact CB-CE2 3.77Å
303E91.9Very high88.9Confident72 Ų7235.8 Ų35.834%0.33619%0.185SC..EExtended strand (participates in β ladder)trans-112.9100.4171.2-176.7173.7-140.700107.6L277 P278 I284 K294L277-E303 WeakPolarHBondContact CD1-O 3.44Å; P278-E303 VanDerWaalsContact CD-O 3.29Å; P278-E303 WeakPolarHBondContact CD-O 3.36Å; I284-E303 HydrophobicContact CD1-CG 4.1Å; K294-E303 VanDerWaalsContact CE-CD 3.46Å; K294-E303 WeakPolarHBondContact CE-OE1 3.46Å; K294-E303 HydrophobicContact CG-CB 4.16Å; K294-E303 HydrophobicContact CG-CG 4.05Å; K294-E303 IonicContact NZ-OE1 3.9Å; K294-E303 PolarHBondContact NZ-OE1 3.32Å
304L93.6Very high89.1Confident0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-94.5145-176.5-58.6-175.2000110.4V241 W244 T275 L277 T292 A293 F295V241-L304 HydrophobicContact CG1-CD1 4.25Å; V241-L304 HydrophobicContact CG2-CD1 4.24Å; W244-L304 HydrophobicContact CB-CD1 4.41Å; W244-L304 HydrophobicContact CD2-CD1 3.8Å; W244-L304 HydrophobicContact CD2-CD2 4.2Å; W244-L304 HydrophobicContact CE3-CD1 3.89Å; W244-L304 HydrophobicContact CE3-CD2 4.49Å; W244-L304 HydrophobicContact CG-CD1 4.06Å; W244-L304 HydrophobicContact CH2-CD2 4.2Å; W244-L304 HydrophobicContact CZ2-CD2 3.85Å; T275-L304 HydrophobicContact CG2-CB 4.27Å; T275-L304 HydrophobicContact CG2-CD1 3.77Å; L277-L304 HydrophobicContact CB-CD2 3.76Å; L277-L304 HydrophobicContact CD1-CD2 3.93Å; L277-L304 HydrophobicContact CG-CD2 4.46Å; T292-L304 CarbonylContact C-O 3.6Å; T292-L304 VanDerWaalsContact CA-O 3.27Å; T292-L304 WeakPolarHBondContact CA-O 2.99Å; A293-L304 PolarHBondContact N-O 3.32Å; A293-L304 PolarHBondContact O-N 2.9Å; F295-L304 HydrophobicContact CD1-CD1 4.16Å; F295-L304 HydrophobicContact CD1-CG 4.35Å; F295-L304 HydrophobicContact CE1-CD1 3.45Å; F295-L304 VanDerWaalsContact CE1-CD1 3.45Å; F295-L304 HydrophobicContact CE1-CD2 4.42Å; F295-L304 HydrophobicContact CE1-CG 3.78Å; F295-L304 HydrophobicContact CZ-CD1 4.33Å
305Y95.1Very high89.2Confident0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-76.1125.7152.9176-83.1000107.1I274 T275 F276 T283 A287 F291 H386 P388I274-Y305 HydrophobicContact CG1-CE1 4.4Å; I274-Y305 HydrophobicContact CG2-CE1 3.98Å; T275-Y305 CarbonylContact C-O 3.57Å; T275-Y305 VanDerWaalsContact CA-O 3.24Å; T275-Y305 WeakPolarHBondContact CA-O 3.25Å; F276-Y305 AromaticContact CD1-CD1 3.84Å; F276-Y305 HydrophobicContact CD1-CD1 3.84Å; F276-Y305 HydrophobicContact CD1-CG 4.46Å; F276-Y305 AromaticContact CE1-CD1 3.21Å; F276-Y305 HydrophobicContact CE1-CD1 3.21Å; F276-Y305 AromaticContact CE1-CE1 3.83Å; F276-Y305 HydrophobicContact CE1-CE1 3.83Å; F276-Y305 AromaticContact CE1-CG 3.73Å; F276-Y305 HydrophobicContact CE1-CG 3.73Å; F276-Y305 AromaticContact CZ-CD1 3.76Å; F276-Y305 HydrophobicContact CZ-CD1 3.76Å; F276-Y305 HydrophobicContact CZ-CE1 4.46Å; F276-Y305 AromaticContact CZ-CG 3.77Å; F276-Y305 HydrophobicContact CZ-CG 3.77Å; F276-Y305 PolarHBondContact N-O 3.24Å; F276-Y305 PolarHBondContact O-N 3.35Å; T283-Y305 HydrophobicContact CG2-CD2 4.48Å; A287-Y305 HydrophobicContact CB-CD2 3.97Å; A287-Y305 HydrophobicContact CB-CE2 3.97Å; F291-Y305 HydrophobicContact CB-CD2 4.37Å; F291-Y305 HydrophobicContact CB-CE2 4Å; F291-Y305 AromaticContact CD2-CE2 3.98Å; F291-Y305 HydrophobicContact CD2-CE2 3.98Å; F291-Y305 AromaticContact CD2-CZ 3.87Å; F291-Y305 WeakPolarHBondContact CD2-OH 3.44Å; F291-Y305 CarbonylContact O-C 3.59Å; F291-Y305 WeakPolarHBondContact O-CA 3.37Å; Y305-H386 AromaticContact CE2-CE1 3.89Å; Y305-H386 AromaticContact CE2-ND1 3.57Å; Y305-H386 AromaticContact CZ-ND1 3.62Å; Y305-H386 PolarHBondContact OH-ND1 2.75Å; Y305-P388 HydrophobicContact CE1-CB 4.4Å; Y305-P388 HydrophobicContact CE1-CG 4.1Å; Y305-P388 HydrophobicContact CE2-CB 4.13Å
306T95.8Very high89.5Confident0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-146.1135.2177.5-167.80000110.3A237 V241 I274 T275 F291 A293A237-T306 HydrophobicContact CB-CG2 4.03Å; A237-T306 PolarHBondContact O-OG1 3.26Å; V241-T306 HydrophobicContact CG2-CG2 3.99Å; I274-T306 WeakPolarHBondContact O-CA 3.25Å; T275-T306 PolarHBondContact OG1-OG1 3.1Å; F291-T306 CarbonylContact C-O 3.3Å; F291-T306 VanDerWaalsContact C-O 3.3Å; F291-T306 VanDerWaalsContact CA-O 3.24Å; F291-T306 WeakPolarHBondContact CA-O 3.49Å; F291-T306 PolarHBondContact O-N 3.43Å; F291-T306 VanDerWaalsContact O-O 3.12Å; A293-T306 HydrophobicContact CB-CG2 3.44Å; A293-T306 VanDerWaalsContact CB-CG2 3.44Å
307H96Very high90.1Very high20 Ų2030.6 Ų30.69%0.09316%0.161CC..EExtended strand (participates in β ladder)trans-149.7146.9168.1-163.862.9000112Q273 I274 F291 Y309Q273-H307 VanDerWaalsContact CA-O 3.31Å; Q273-H307 WeakPolarHBondContact CA-O 3.38Å; I274-H307 PolarHBondContact N-O 3.16Å; I274-H307 VanDerWaalsContact N-O 3.09Å; I274-H307 PolarHBondContact O-N 2.9Å; F291-H307 HydrophobicContact CD1-CB 4.39Å; F291-H307 AromaticContact CD1-CE1 3.74Å; F291-H307 AromaticContact CD1-CG 3.84Å; F291-H307 AromaticContact CD1-ND1 3.26Å; F291-H307 VanDerWaalsContact CD1-ND1 3.26Å; F291-H307 WeakPolarHBondContact CD1-ND1 3.23Å; F291-H307 HydrophobicContact CD2-CB 3.69Å; F291-H307 AromaticContact CD2-CG 3.73Å; F291-H307 AromaticContact CE1-CD2 3.92Å; F291-H307 AromaticContact CE1-CE1 3.08Å; F291-H307 WeakPolarHBondContact CE1-CE1 3.35Å; F291-H307 AromaticContact CE1-CG 3.62Å; F291-H307 AromaticContact CE1-ND1 3.08Å; F291-H307 WeakPolarHBondContact CE1-ND1 3.33Å; F291-H307 AromaticContact CE1-NE2 3.62Å; F291-H307 HydrophobicContact CE2-CB 3.82Å; F291-H307 AromaticContact CE2-CD2 3.63Å; F291-H307 AromaticContact CE2-CG 3.44Å; F291-H307 VanDerWaalsContact CE2-CG 3.44Å; F291-H307 AromaticContact CE2-ND1 3.84Å; F291-H307 HydrophobicContact CG-CB 3.99Å; F291-H307 AromaticContact CG-CG 3.91Å; F291-H307 AromaticContact CG-ND1 3.75Å; F291-H307 HydrophobicContact CZ-CB 4.26Å; F291-H307 AromaticContact CZ-CD2 3.38Å; F291-H307 WeakPolarHBondContact CZ-CD2 2.95Å; F291-H307 AromaticContact CZ-CE1 3.34Å; F291-H307 WeakPolarHBondContact CZ-CE1 3.48Å; F291-H307 AromaticContact CZ-CG 3.39Å; F291-H307 AromaticContact CZ-ND1 3.39Å; F291-H307 WeakPolarHBondContact CZ-ND1 3.39Å; F291-H307 AromaticContact CZ-NE2 3.35Å; F291-H307 VanDerWaalsContact CZ-NE2 3.35Å; F291-H307 WeakPolarHBondContact CZ-NE2 3.5Å; H307-Y309 HydrophobicContact CB-CE2 4.23Å; H307-Y309 AromaticContact CD2-CD1 3.69Å; H307-Y309 AromaticContact CD2-CD2 3.78Å; H307-Y309 AromaticContact CD2-CE1 3.47Å; H307-Y309 VanDerWaalsContact CD2-CE1 3.47Å; H307-Y309 WeakPolarHBondContact CD2-CE1 3.27Å; H307-Y309 AromaticContact CD2-CE2 3.57Å; H307-Y309 AromaticContact CD2-CG 3.85Å; H307-Y309 AromaticContact CD2-CZ 3.44Å; H307-Y309 VanDerWaalsContact CD2-CZ 3.44Å; H307-Y309 AromaticContact NE2-CE1 3.99Å
308S96.4Very high91Very high5 Ų532.3 Ų32.34%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-117112.8174.4160.40000109.4R201 G236 T272 L310R201-S308 PolarHBondContact NH1-OG 3.3Å; G236-S308 WeakPolarHBondContact CA-OG 3.32Å; G236-S308 WeakPolarHBondContact O-CB 3.45Å; T272-S308 WeakPolarHBondContact O-CA 3.46Å; S308-L310 PolarHBondContact O-N 3.11Å; S308-L310 VanDerWaalsContact O-N 3.15Å
309Y96.2Very high92.1Very high6 Ų629.5 Ų29.52%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-83.493.4173.8-60.3-88.4000109S271 T272 I274 H307 N312 F385 H386 F464S271-Y309 VanDerWaalsContact CA-O 3.28Å; S271-Y309 WeakPolarHBondContact CA-O 3.41Å; S271-Y309 WeakPolarHBondContact CB-O 3.33Å; T272-Y309 HydrophobicContact CG2-CD2 4.27Å; T272-Y309 PolarHBondContact N-O 3.31Å; T272-Y309 PolarHBondContact O-N 2.97Å; I274-Y309 HydrophobicContact CG2-CE2 3.97Å; H307-Y309 HydrophobicContact CB-CE2 4.23Å; H307-Y309 AromaticContact CD2-CD1 3.69Å; H307-Y309 AromaticContact CD2-CD2 3.78Å; H307-Y309 AromaticContact CD2-CE1 3.47Å; H307-Y309 VanDerWaalsContact CD2-CE1 3.47Å; H307-Y309 WeakPolarHBondContact CD2-CE1 3.27Å; H307-Y309 AromaticContact CD2-CE2 3.57Å; H307-Y309 AromaticContact CD2-CG 3.85Å; H307-Y309 AromaticContact CD2-CZ 3.44Å; H307-Y309 VanDerWaalsContact CD2-CZ 3.44Å; H307-Y309 AromaticContact NE2-CE1 3.99Å; Y309-N312 WeakPolarHBondContact O-CB 3.28Å; Y309-N312 PolarHBondContact O-N 3.2Å; Y309-F385 AromaticContact CD1-CD1 3.55Å; Y309-F385 HydrophobicContact CD1-CD1 3.55Å; Y309-F385 AromaticContact CD1-CE1 3.74Å; Y309-F385 HydrophobicContact CD1-CE1 3.74Å; Y309-F385 HydrophobicContact CD1-CG 4.16Å; Y309-F385 AromaticContact CD2-CD1 3.73Å; Y309-F385 HydrophobicContact CD2-CD1 3.73Å; Y309-F385 AromaticContact CD2-CE1 3.75Å; Y309-F385 HydrophobicContact CD2-CE1 3.75Å; Y309-F385 HydrophobicContact CE1-CB 4.1Å; Y309-F385 AromaticContact CE1-CD1 3.58Å; Y309-F385 HydrophobicContact CE1-CD1 3.58Å; Y309-F385 HydrophobicContact CE1-CE1 4.26Å; Y309-F385 HydrophobicContact CE1-CG 4Å; Y309-F385 AromaticContact CE2-CD1 3.76Å; Y309-F385 HydrophobicContact CE2-CD1 3.76Å; Y309-F385 HydrophobicContact CE2-CE1 4.26Å; Y309-F385 AromaticContact CG-CD1 3.61Å; Y309-F385 HydrophobicContact CG-CD1 3.61Å; Y309-F385 AromaticContact CG-CE1 3.45Å; Y309-F385 HydrophobicContact CG-CE1 3.45Å; Y309-F385 VanDerWaalsContact CG-CE1 3.45Å; Y309-F385 HydrophobicContact CG-CZ 4.37Å; Y309-F385 AromaticContact CZ-CD1 3.65Å; Y309-H386 WeakPolarHBondContact OH-CB 3.37Å; Y309-H386 PolarHBondContact OH-N 3.39Å; Y309-H386 PolarHBondContact OH-O 2.98Å; Y309-F464 HydrophobicContact CD2-CE1 4.03Å; Y309-F464 HydrophobicContact CE2-CD1 4.44Å; Y309-F464 AromaticContact CE2-CE1 3.57Å; Y309-F464 HydrophobicContact CE2-CE1 3.57Å; Y309-F464 HydrophobicContact CE2-CZ 4.43Å
310L93.1Very high93Very high28 Ų2822.5 Ų22.515%0.14712%0.122CC..EExtended strand (participates in β ladder)trans-66.5143.6176.1-172.262.7000110.2Y24 A198 R201 L202 S308 N312Y24-L310 HydrophobicContact CE1-CB 4.23Å; Y24-L310 HydrophobicContact CE2-CB 4.3Å; A198-L310 HydrophobicContact CB-CD1 3.57Å; R201-L310 HydrophobicContact CB-CD1 4.37Å; L202-L310 HydrophobicContact CD2-CD1 4.18Å; L202-L310 HydrophobicContact CD2-CD2 4.21Å; L202-L310 HydrophobicContact CD2-CG 4.02Å; L202-L310 HydrophobicContact CG-CD1 4.17Å; S308-L310 PolarHBondContact O-N 3.11Å; S308-L310 VanDerWaalsContact O-N 3.15Å; L310-N312 PolarHBondContact O-N 2.82Å; L310-N312 PolarHBondContact O-ND2 3.42Å; L310-N312 VanDerWaalsContact O-ND2 3.14Å
311G91.3Very high93.9Very high16 Ų1618.7 Ų18.717%0.16511%0.105CC..THydrogen-bonded Turntrans74.62.9-17500000114.4G270 A316G270-G311 CarbonylContact O-C 3.06Å; G270-G311 VanDerWaalsContact O-CA 3.28Å; G270-G311 WeakPolarHBondContact O-CA 3.27Å; G270-G311 PolarHBondContact O-N 3.02Å; G311-A316 WeakPolarHBondContact O-CB 3.5Å
312N95.1Very high94.2Very high21 Ų2114.8 Ų14.811%0.1128%0.08CC..  trans-118.121.3-178.1-73.9-84.7000112.7G270 T272 Y309 L310 F385 Y455G270-N312 PolarHBondContact O-N 2.81Å; T272-N312 HydrophobicContact CG2-CB 4.26Å; T272-N312 WeakPolarHBondContact CG2-O 3.32Å; Y309-N312 WeakPolarHBondContact O-CB 3.28Å; Y309-N312 PolarHBondContact O-N 3.2Å; L310-N312 PolarHBondContact O-N 2.82Å; L310-N312 PolarHBondContact O-ND2 3.42Å; L310-N312 VanDerWaalsContact O-ND2 3.14Å; N312-F385 HydrophobicContact CB-CE1 4.31Å; N312-F385 HydrophobicContact CB-CZ 3.72Å; N312-F385 WeakPolarHBondContact OD1-CZ 3.49Å; N312-Y455 PolarHBondContact O-OH 2.62Å
313G96.2Very high94.2Very high0 Ų015.7 Ų15.70%010%0.098CC..SBendtrans-70.2168.516400000111.2G268 G269 G270 S271 V315 A316 A317G268-G313 CarbonylContact O-C 3.56Å; G268-G313 WeakPolarHBondContact O-CA 3.38Å; G269-G313 CarbonylContact O-C 3.47Å; G269-G313 WeakPolarHBondContact O-CA 3.22Å; G270-G313 VanDerWaalsContact C-N 3.35Å; G270-G313 PolarHBondContact O-N 2.82Å; S271-G313 VanDerWaalsContact C-CA 3.47Å; S271-G313 VanDerWaalsContact CA-N 3.35Å; S271-G313 VanDerWaalsContact O-CA 3.29Å; S271-G313 WeakPolarHBondContact O-CA 3.41Å; G313-V315 VanDerWaalsContact C-N 3.32Å; G313-V315 PolarHBondContact O-N 3Å; G313-A316 PolarHBondContact O-N 2.85Å; G313-A317 WeakPolarHBondContact O-CB 3.36Å; G313-A317 PolarHBondContact O-N 2.74Å
314L96.6Very high93.8Very high1 Ų112.3 Ų12.31%0.0058%0.082CC..Hα-helixtrans-56.9-44.3-173.5-172.772000112.4L267 G268 G269 R318 H402 R406 D452 Y455L267-L314 HydrophobicContact CD1-CB 4.45Å; L267-L314 HydrophobicContact CD2-CB 4.32Å; L267-L314 HydrophobicContact CD2-CD1 4.16Å; L267-L314 HydrophobicContact CG-CB 4.2Å; G268-L314 PolarHBondContact O-N 3.2Å; G269-L314 PolarHBondContact O-N 3.15Å; L314-R318 WeakPolarHBondContact O-CG 3.45Å; L314-R318 PolarHBondContact O-N 2.85Å; L314-H402 HydrophobicContact CB-CB 4.11Å; L314-H402 HydrophobicContact CD2-CB 3.74Å; L314-H402 HydrophobicContact CG-CB 4.44Å; L314-R406 HydrophobicContact CD2-CG 4.17Å; L314-D452 HydrophobicContact CD1-CB 3.9Å; L314-D452 HydrophobicContact CD2-CB 4.35Å; L314-Y455 HydrophobicContact CD1-CD1 4.04Å
315V93.8Very high92.8Very high22 Ų2216 Ų1613%0.13310%0.102CC..Hα-helixtrans-75.7-41-176.7-170.30000111.1T125 G269 G313 A317 R318 L319 F353T125-V315 HydrophobicContact CG2-CG2 3.81Å; G269-V315 PolarHBondContact O-N 2.71Å; G313-V315 VanDerWaalsContact C-N 3.32Å; G313-V315 PolarHBondContact O-N 3Å; V315-A317 VanDerWaalsContact C-N 3.32Å; V315-A317 PolarHBondContact O-N 3.49Å; V315-R318 WeakPolarHBondContact O-CB 3.27Å; V315-R318 PolarHBondContact O-N 3.39Å; V315-L319 PolarHBondContact O-N 3.06Å; V315-F353 HydrophobicContact CB-CD2 3.91Å; V315-F353 HydrophobicContact CB-CE2 3.79Å; V315-F353 HydrophobicContact CG1-CB 4.43Å; V315-F353 HydrophobicContact CG1-CD2 3.28Å; V315-F353 HydrophobicContact CG1-CE2 3.72Å; V315-F353 HydrophobicContact CG1-CG 4.09Å
316A93.2Very high91.4Very high1 Ų116.6 Ų16.61%0.00811%0.107CC..Hα-helixtrans-60.9-41.5173.800000111.8G269 G311 G313 R318 L319 A320 L325 F353G269-A316 PolarHBondContact O-N 3.19Å; G311-A316 WeakPolarHBondContact O-CB 3.5Å; G313-A316 PolarHBondContact O-N 2.85Å; A316-R318 VanDerWaalsContact C-N 3.29Å; A316-R318 PolarHBondContact O-N 2.89Å; A316-L319 PolarHBondContact O-N 2.61Å; A316-L319 VanDerWaalsContact O-N 3.14Å; A316-A320 PolarHBondContact O-N 2.88Å; A316-L325 WeakPolarHBondContact O-CD1 3.35Å; A316-F353 HydrophobicContact CB-CZ 3.95Å
317A95.6Very high89.8Confident1 Ų117.4 Ų17.41%0.00811%0.114CC..Hα-helixtrans-63.8-30.5176.600000113.4G313 V315 A320 T321 Y455G313-A317 WeakPolarHBondContact O-CB 3.36Å; G313-A317 PolarHBondContact O-N 2.74Å; V315-A317 VanDerWaalsContact C-N 3.32Å; V315-A317 PolarHBondContact O-N 3.49Å; A317-A320 PolarHBondContact O-N 2.7Å; A317-T321 WeakPolarHBondContact O-CB 3.29Å; A317-T321 PolarHBondContact O-N 3.31Å; A317-T321 PolarHBondContact O-OG1 3.14Å; A317-Y455 HydrophobicContact CB-CD1 3.91Å; A317-Y455 HydrophobicContact CB-CD2 3.65Å; A317-Y455 HydrophobicContact CB-CE1 3.62Å; A317-Y455 HydrophobicContact CB-CE2 3.37Å; A317-Y455 HydrophobicContact CB-CG 3.92Å
318R95.5Very high88Confident38 Ų3820.8 Ų20.814%0.14313%0.133CC..Hα-helixtrans-61.4-49.6171.1-67.8168-178.1-179.7-6.2111L314 V315 A316 A320 T321 L322 F448 M451 D452L314-R318 WeakPolarHBondContact O-CG 3.45Å; L314-R318 PolarHBondContact O-N 2.85Å; V315-R318 WeakPolarHBondContact O-CB 3.27Å; V315-R318 PolarHBondContact O-N 3.39Å; A316-R318 VanDerWaalsContact C-N 3.29Å; A316-R318 PolarHBondContact O-N 2.89Å; R318-A320 VanDerWaalsContact C-N 3.32Å; R318-A320 PolarHBondContact O-N 3.05Å; R318-T321 PolarHBondContact O-N 3.06Å; R318-L322 WeakPolarHBondContact O-CB 3.29Å; R318-L322 WeakPolarHBondContact O-CD1 3.43Å; R318-L322 WeakPolarHBondContact O-CG 3.44Å; R318-L322 PolarHBondContact O-N 2.8Å; R318-F448 HydrophobicContact CG-CD1 4.18Å; R318-M451 VanDerWaalsContact CA-SD 3.56Å; R318-M451 HydrophobicContact CB-SD 3.72Å; R318-M451 HydrophobicContact CG-SD 3.74Å; R318-D452 IonicContact CZ-OD1 3.75Å; R318-D452 IonicContact CZ-OD2 2.71Å; R318-D452 IonicContact NE-OD1 2.66Å; R318-D452 PolarHBondContact NE-OD1 2.99Å; R318-D452 IonicContact NE-OD2 2.74Å; R318-D452 VanDerWaalsContact NH2-CG 3.33Å; R318-D452 IonicContact NH2-OD1 2.65Å; R318-D452 PolarHBondContact NH2-OD1 2.78Å; R318-D452 IonicContact NH2-OD2 2.89Å; R318-D452 PolarHBondContact NH2-OD2 3.43Å
319L92.4Very high86.1Confident6 Ų622.8 Ų22.83%0.03115%0.149CC..Hα-helixtrans-63.2-40.2178.8-62.9-176.5000111.7V315 A316 L322 G323 A324 L325 F353 Y358V315-L319 PolarHBondContact O-N 3.06Å; A316-L319 PolarHBondContact O-N 2.61Å; A316-L319 VanDerWaalsContact O-N 3.14Å; L319-L322 PolarHBondContact O-N 3.32Å; L319-G323 PolarHBondContact O-N 2.8Å; L319-G323 VanDerWaalsContact O-N 3.09Å; L319-A324 HydrophobicContact CB-CB 4.35Å; L319-A324 HydrophobicContact CD2-CB 4.22Å; L319-A324 PolarHBondContact O-N 3.43Å; L319-L325 HydrophobicContact CB-CB 4.44Å; L319-L325 HydrophobicContact CB-CD1 4.48Å; L319-L325 PolarHBondContact O-N 3.25Å; L319-F353 HydrophobicContact CD1-CB 3.83Å; L319-F353 HydrophobicContact CD1-CD1 3.18Å; L319-F353 HydrophobicContact CD1-CE1 3.85Å; L319-F353 HydrophobicContact CD1-CG 3.65Å; L319-F353 HydrophobicContact CG-CD1 4.43Å; L319-Y358 HydrophobicContact CD1-CD2 4.44Å; L319-Y358 HydrophobicContact CD1-CE2 3.94Å; L319-Y358 HydrophobicContact CD2-CD2 4Å; L319-Y358 HydrophobicContact CD2-CE2 4.31Å; L319-Y358 HydrophobicContact CD2-CG 4.16Å
320A92.7Very high84.3Confident28 Ų2827.6 Ų27.623%0.23117%0.171CC..Hα-helixtrans-60.3-45.7174.200000111.5A316 A317 R318 L322 G323 L325 V380A316-A320 PolarHBondContact O-N 2.88Å; A317-A320 PolarHBondContact O-N 2.7Å; R318-A320 VanDerWaalsContact C-N 3.32Å; R318-A320 PolarHBondContact O-N 3.05Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 2.94Å; A320-G323 PolarHBondContact O-N 2.89Å; A320-L325 HydrophobicContact CB-CD1 3.78Å; A320-V380 HydrophobicContact CB-CB 4.41Å; A320-V380 HydrophobicContact CB-CG1 3.66Å; A320-V380 HydrophobicContact CB-CG2 3.8Å
321T95.2Very high82.4Confident4 Ų432.8 Ų32.83%0.02521%0.206CC..Hα-helixtrans-62.9-38.3179.2-57.80000111.5A317 R318 G323 E376 V377 M451A317-T321 WeakPolarHBondContact O-CB 3.29Å; A317-T321 PolarHBondContact O-N 3.31Å; A317-T321 PolarHBondContact O-OG1 3.14Å; R318-T321 PolarHBondContact O-N 3.06Å; T321-G323 PolarHBondContact O-N 3.28Å; T321-E376 HydrophobicContact CG2-CB 3.87Å; T321-V377 HydrophobicContact CG2-CG2 3.86Å; T321-M451 HydrophobicContact CG2-CE 4.16Å; T321-M451 HydrophobicContact CG2-CG 4.25Å; T321-M451 HydrophobicContact CG2-SD 4.24Å
322L93.1Very high80.8Confident13 Ų1335.3 Ų35.37%0.06823%0.232CC..THydrogen-bonded Turntrans-72.2-12.1174.7-75.4162.5000113.9R318 L319 A320 A324 F338 L343 V360 F448 M451R318-L322 WeakPolarHBondContact O-CB 3.29Å; R318-L322 WeakPolarHBondContact O-CD1 3.43Å; R318-L322 WeakPolarHBondContact O-CG 3.44Å; R318-L322 PolarHBondContact O-N 2.8Å; L319-L322 PolarHBondContact O-N 3.32Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 2.94Å; L322-A324 VanDerWaalsContact C-N 3.27Å; L322-A324 HydrophobicContact CB-CB 4.25Å; L322-A324 PolarHBondContact O-N 3.36Å; L322-F338 HydrophobicContact CB-CB 4.11Å; L322-F338 HydrophobicContact CD2-CB 4.3Å; L322-L343 HydrophobicContact CD2-CD1 3.98Å; L322-V360 HydrophobicContact CD1-CB 4.41Å; L322-V360 HydrophobicContact CD1-CG1 3.7Å; L322-V360 HydrophobicContact CD2-CG1 4.49Å; L322-F448 HydrophobicContact CD1-CE1 4.34Å; L322-M451 HydrophobicContact CD2-CE 4.26Å; L322-M451 HydrophobicContact CG-CE 4.04Å
323G88.6Confident79.2Confident48 Ų4836.7 Ų36.750%0.49524%0.239SC..THydrogen-bonded Turntrans68.425-171.600000113.6L319 A320 T321 F338L319-G323 PolarHBondContact O-N 2.8Å; L319-G323 VanDerWaalsContact O-N 3.09Å; A320-G323 PolarHBondContact O-N 2.89Å; T321-G323 PolarHBondContact O-N 3.28Å; G323-F338 WeakPolarHBondContact O-CE1 3.24Å
324A83.6Confident77.5Confident0 Ų042.8 Ų42.80%027%0.272CS..  trans-94.7-13.7-178.600000113.6L319 L322 G326 A327 F338 Y358L319-A324 HydrophobicContact CB-CB 4.35Å; L319-A324 HydrophobicContact CD2-CB 4.22Å; L319-A324 PolarHBondContact O-N 3.43Å; L322-A324 VanDerWaalsContact C-N 3.27Å; L322-A324 HydrophobicContact CB-CB 4.25Å; L322-A324 PolarHBondContact O-N 3.36Å; A324-G326 PolarHBondContact O-N 3.1Å; A324-A327 VanDerWaalsContact O-CB 3.28Å; A324-A327 WeakPolarHBondContact O-CB 3.18Å; A324-A327 PolarHBondContact O-N 3.48Å; A324-F338 VanDerWaalsContact CA-CE1 3.47Å; A324-F338 HydrophobicContact CB-CB 4.39Å; A324-F338 HydrophobicContact CB-CD1 3.68Å; A324-F338 HydrophobicContact CB-CD2 3.86Å; A324-F338 HydrophobicContact CB-CE1 3.83Å; A324-F338 HydrophobicContact CB-CE2 4.01Å; A324-F338 HydrophobicContact CB-CG 3.69Å; A324-F338 HydrophobicContact CB-CZ 4Å; A324-Y358 HydrophobicContact CB-CD1 4.01Å; A324-Y358 HydrophobicContact CB-CE1 4.35Å
325L74.2Confident76Confident79 Ų7952.9 Ų52.941%0.41431%0.31SS..THydrogen-bonded Turntrans-69.6120.2-177-146.3150.6000110.1A316 L319 A320A316-L325 WeakPolarHBondContact O-CD1 3.35Å; L319-L325 HydrophobicContact CB-CB 4.44Å; L319-L325 HydrophobicContact CB-CD1 4.48Å; L319-L325 PolarHBondContact O-N 3.25Å; A320-L325 HydrophobicContact CB-CD1 3.78Å
326G64.2Low75.4Confident11 Ų1156.5 Ų56.511%0.11332%0.324CS..THydrogen-bonded Turntrans85.45.7-17600000115.1A324 D328 A329 F330A324-G326 PolarHBondContact O-N 3.1Å; G326-D328 WeakPolarHBondContact CA-OD1 3.15Å; G326-D328 PolarHBondContact O-N 3.46Å; G326-A329 WeakPolarHBondContact O-CB 3.38Å; G326-A329 PolarHBondContact O-N 3.43Å; G326-F330 WeakPolarHBondContact O-CD2 3.31Å
327A62.7Low75.2Confident17 Ų1758.4 Ų58.414%0.1434%0.335CS..G310 helixtrans-65.8-23.917700000113.5A324 A329 F330 F338A324-A327 VanDerWaalsContact O-CB 3.28Å; A324-A327 WeakPolarHBondContact O-CB 3.18Å; A324-A327 PolarHBondContact O-N 3.48Å; A327-A329 PolarHBondContact O-N 3.18Å; A327-F330 PolarHBondContact O-N 3.12Å; A327-F338 HydrophobicContact CB-CE1 4.23Å; A327-F338 HydrophobicContact CB-CE2 4.47Å; A327-F338 HydrophobicContact CB-CZ 3.58Å
328D59Low75Confident91 Ų9158.9 Ų58.949%0.48734%0.337SS..G310 helixtrans-61.5-25.4172.555.4-45.2000113.4R28 G326 F330R28-D328 IonicContact NH2-OD2 3.91Å; G326-D328 WeakPolarHBondContact CA-OD1 3.15Å; G326-D328 PolarHBondContact O-N 3.46Å; D328-F330 PolarHBondContact O-N 2.79Å
329A55.9Low74.9Confident47 Ų4760.1 Ų60.139%0.38835%0.349SS..G310 helixtrans-80-0.5-179.500000114.1G326 A327G326-A329 WeakPolarHBondContact O-CB 3.38Å; G326-A329 PolarHBondContact O-N 3.43Å; A327-A329 PolarHBondContact O-N 3.18Å
330F57.5Low75Confident107 Ų10759.9 Ų59.947%0.46935%0.348SS..SBendtrans-125.1109-174.9-66.3-79.4000110.5Y29 G326 A327 D328 L333Y29-F330 HydrophobicContact CE1-CE2 4.41Å; Y29-F330 AromaticContact CE1-CZ 3.76Å; Y29-F330 HydrophobicContact CE1-CZ 3.76Å; G326-F330 WeakPolarHBondContact O-CD2 3.31Å; A327-F330 PolarHBondContact O-N 3.12Å; D328-F330 PolarHBondContact O-N 2.79Å; F330-L333 HydrophobicContact CB-CD1 3.35Å; F330-L333 HydrophobicContact CG-CD1 4.32Å; F330-L333 WeakPolarHBondContact O-CD1 3.24Å
331P54.4Low75.2Confident137 Ų13758.7 Ų58.789%0.8934%0.338SS*.THydrogen-bonded Turntrans-59.4137.1174.7-20.630.8000111.7
332G58.2Low75.3Confident69 Ų6958.5 Ų58.571%0.71134%0.337SS*.THydrogen-bonded Turntrans103.711.3175.300000116.4
333L60.6Low75.4Confident51 Ų5157.9 Ų57.927%0.26733%0.334SS..  trans-1006.4-177.8-85.8142.9000115.3F330 W335 K336F330-L333 HydrophobicContact CB-CD1 3.35Å; F330-L333 HydrophobicContact CG-CD1 4.32Å; F330-L333 WeakPolarHBondContact O-CD1 3.24Å; L333-W335 PolarHBondContact O-N 3.44Å; L333-K336 HydrophobicContact CD2-CB 3.63Å; L333-K336 HydrophobicContact CD2-CD 3.08Å; L333-K336 HydrophobicContact CD2-CG 3.98Å; L333-K336 WeakPolarHBondContact O-CB 3.39Å; L333-K336 PolarHBondContact O-N 3.49Å
334D60.2Low75.6Confident128 Ų12856.2 Ų56.268%0.68431%0.314SS*.THydrogen-bonded Turntrans-56.9-18.8-175.2-57-33.5000114.6K359D334-K359 PolarHBondContact O-NZ 2.83Å; D334-K359 VanDerWaalsContact O-NZ 3.11Å
335W64.4Low75.8Confident212 Ų21261 Ų6180%0.80334%0.335SS*.THydrogen-bonded Turntrans-105.5-6.3180-54.5101.9000114.2L333 V337L333-W335 PolarHBondContact O-N 3.44Å; W335-V337 PolarHBondContact O-N 3.33Å
336K81.9Confident76.5Confident99 Ų9966.3 Ų66.343%0.4336%0.355SS..PPolyproline II helixtrans-71.2124.4-176.9-176.6173.6179.1-178.10110.3L333 F338L333-K336 HydrophobicContact CD2-CB 3.63Å; L333-K336 HydrophobicContact CD2-CD 3.08Å; L333-K336 HydrophobicContact CD2-CG 3.98Å; L333-K336 WeakPolarHBondContact O-CB 3.39Å; L333-K336 PolarHBondContact O-N 3.49Å; K336-F338 HydrophobicContact CB-CZ 4.46Å; K336-F338 HydrophobicContact CD-CD1 4.29Å; K336-F338 HydrophobicContact CD-CE1 3.66Å; K336-F338 HydrophobicContact CD-CZ 3.82Å; K336-F338 HydrophobicContact CG-CD1 4.49Å; K336-F338 HydrophobicContact CG-CE1 4.17Å; K336-F338 HydrophobicContact CG-CE2 4.4Å; K336-F338 HydrophobicContact CG-CZ 4.11Å
337V88.5Confident77.8Confident40 Ų4065.9 Ų65.924%0.24235%0.35CS..PPolyproline II helixtrans-95.7117.5170.4-176.90000107.8W335 T339 K359W335-V337 PolarHBondContact O-N 3.33Å; V337-T339 HydrophobicContact CG1-CG2 4.34Å; V337-K359 WeakPolarHBondContact CA-O 3.28Å; V337-K359 HydrophobicContact CG2-CB 4.3Å
338F91.9Very high79.2Confident11 Ų1173 Ų735%0.04837%0.373CS..EExtended strand (participates in β ladder)trans-81.3126.5176.3-60.3-86.1000109.6L322 G323 A324 A327 K336 Y358 K359 V360 S361L322-F338 HydrophobicContact CB-CB 4.11Å; L322-F338 HydrophobicContact CD2-CB 4.3Å; G323-F338 WeakPolarHBondContact O-CE1 3.24Å; A324-F338 VanDerWaalsContact CA-CE1 3.47Å; A324-F338 HydrophobicContact CB-CB 4.39Å; A324-F338 HydrophobicContact CB-CD1 3.68Å; A324-F338 HydrophobicContact CB-CD2 3.86Å; A324-F338 HydrophobicContact CB-CE1 3.83Å; A324-F338 HydrophobicContact CB-CE2 4.01Å; A324-F338 HydrophobicContact CB-CG 3.69Å; A324-F338 HydrophobicContact CB-CZ 4Å; A327-F338 HydrophobicContact CB-CE1 4.23Å; A327-F338 HydrophobicContact CB-CE2 4.47Å; A327-F338 HydrophobicContact CB-CZ 3.58Å; K336-F338 HydrophobicContact CB-CZ 4.46Å; K336-F338 HydrophobicContact CD-CD1 4.29Å; K336-F338 HydrophobicContact CD-CE1 3.66Å; K336-F338 HydrophobicContact CD-CZ 3.82Å; K336-F338 HydrophobicContact CG-CD1 4.49Å; K336-F338 HydrophobicContact CG-CE1 4.17Å; K336-F338 HydrophobicContact CG-CE2 4.4Å; K336-F338 HydrophobicContact CG-CZ 4.11Å; F338-Y358 HydrophobicContact CE2-CD1 4.21Å; F338-K359 PolarHBondContact N-O 3.34Å; F338-V360 HydrophobicContact CB-CG1 4.45Å; F338-V360 CarbonylContact O-C 3.56Å; F338-V360 VanDerWaalsContact O-CA 3.28Å; F338-V360 WeakPolarHBondContact O-CA 3.18Å; F338-S361 PolarHBondContact O-N 3.42Å
339T93.7Very high80.7Confident65 Ų6573 Ų7340%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-116.7149.4-174.460.20000111.8V337 S361V337-T339 HydrophobicContact CG1-CG2 4.34Å; T339-S361 VanDerWaalsContact CA-O 3.23Å; T339-S361 WeakPolarHBondContact CA-O 3.38Å
340S95.4Very high82.4Confident0 Ų076.2 Ų76.20%038%0.377CS..EExtended strand (participates in β ladder)trans-150.6144.1178.5170.20000112.1C342 L343 S361 E376 M451S340-C342 PolarHBondContact O-N 3.34Å; S340-C342 VanDerWaalsContact OG-CB 3.23Å; S340-C342 WeakPolarHBondContact OG-CB 3.39Å; S340-C342 PolarHBondContact OG-N 3.42Å; S340-L343 PolarHBondContact O-N 3.07Å; S340-S361 PolarHBondContact N-O 3.02Å; S340-E376 VanDerWaalsContact CB-OE2 3.27Å; S340-E376 WeakPolarHBondContact CB-OE2 3.26Å; S340-E376 PolarHBondContact OG-OE2 2.91Å; S340-M451 WeakPolarHBondContact OG-CE 3.19Å
341S95.9Very high83.8Confident4 Ų472.5 Ų72.53%0.02836%0.363CS..THydrogen-bonded Turntrans-72.6-7.5171.1650000113.4L343 A368 G369 L372 C373 E376S341-L343 VanDerWaalsContact C-N 3.29Å; S341-A368 WeakPolarHBondContact O-CA 3.49Å; S341-A368 WeakPolarHBondContact O-CB 3.45Å; S341-G369 PolarHBondContact O-N 2.72Å; S341-L372 VanDerWaalsContact OG-C 3.25Å; S341-L372 VanDerWaalsContact OG-CB 3.3Å; S341-L372 WeakPolarHBondContact OG-CB 3.39Å; S341-C373 PolarHBondContact OG-N 3.45Å; S341-E376 WeakPolarHBondContact CB-OE1 3.4Å; S341-E376 PolarHBondContact N-OE1 3.44Å; S341-E376 PolarHBondContact N-OE2 3.38Å; S341-E376 PolarHBondContact OG-OE1 3.36Å
342C96.8Very high85.1Confident0 Ų073.1 Ų73.10%035%0.351CS..THydrogen-bonded Turntrans-78.3-10.9171.1-61.50000113.8S340 C373 M439 M451S340-C342 PolarHBondContact O-N 3.34Å; S340-C342 VanDerWaalsContact OG-CB 3.23Å; S340-C342 WeakPolarHBondContact OG-CB 3.39Å; S340-C342 PolarHBondContact OG-N 3.42Å; C342-C373 VanDerWaalsContact CA-SG 3.56Å; C342-C373 HydrophobicContact CB-CB 3.82Å; C342-C373 WeakPolarHBondContact CB-SG 3.28Å; C342-C373 WeakPolarHBondContact SG-CA 3.37Å; C342-C373 WeakPolarHBondContact SG-CB 3.38Å; C342-C373 CovalentContact SG-SG 2.03Å; C342-C373 PolarHBondContact SG-SG 2.86Å; C342-M439 WeakPolarHBondContact O-CE 3.15Å; C342-M451 HydrophobicContact CB-CB 3.65Å; C342-M451 HydrophobicContact CB-CE 3.54Å; C342-M451 HydrophobicContact CB-CG 3.89Å
343L95.6Very high86.1Confident0 Ų071.2 Ų71.20%032%0.324CS..SBendtrans-106.4151-177.1-64.3176.3000111.5L322 S340 S341 K345 Y347 P447 F448 M451L322-L343 HydrophobicContact CD2-CD1 3.98Å; S340-L343 PolarHBondContact O-N 3.07Å; S341-L343 VanDerWaalsContact C-N 3.29Å; L343-K345 PolarHBondContact O-N 3.03Å; L343-Y347 HydrophobicContact CB-CD1 4.26Å; L343-Y347 HydrophobicContact CD1-CD1 4.02Å; L343-Y347 HydrophobicContact CD1-CE1 4.14Å; L343-Y347 HydrophobicContact CD2-CD1 4.28Å; L343-Y347 HydrophobicContact CD2-CE1 4.3Å; L343-Y347 HydrophobicContact CG-CD1 4.42Å; L343-P447 WeakPolarHBondContact CD2-O 3.47Å; L343-F448 HydrophobicContact CD1-CE1 4.39Å; L343-F448 HydrophobicContact CD2-CD1 3.67Å; L343-F448 HydrophobicContact CD2-CE1 3.85Å; L343-F448 HydrophobicContact CD2-CG 4.25Å; L343-M451 HydrophobicContact CD2-CE 4.32Å; L343-M451 HydrophobicContact CG-CE 4.15Å
344P92.1Very high86.6Confident12 Ų1269.5 Ų69.58%0.07832%0.318CS..  trans-59138.6174.8-14.723.7000111.3K346 Y347 G362 M439P344-K346 PolarHBondContact O-N 3.14Å; P344-Y347 WeakPolarHBondContact O-CB 3.45Å; P344-Y347 PolarHBondContact O-N 2.91Å; P344-G362 WeakPolarHBondContact O-CA 3.21Å; P344-M439 HydrophobicContact CB-CB 4.45Å; P344-M439 HydrophobicContact CG-CB 4.2Å
345K89.5Confident87.3Confident100 Ų10064.5 Ų64.544%0.43530%0.297SS..THydrogen-bonded Turntrans-53.3-35.1-173.7-56.8-170.7-171.3-162.20115.2L343 G366 A368L343-K345 PolarHBondContact O-N 3.03Å; K345-G366 VanDerWaalsContact CD-O 3.31Å; K345-G366 WeakPolarHBondContact CD-O 3.35Å; K345-G366 WeakPolarHBondContact CE-O 3.29Å; K345-G366 PolarHBondContact NZ-O 2.88Å; K345-A368 HydrophobicContact CG-CB 4.42Å
346K87.6Confident88Confident192 Ų19257 Ų5784%0.83527%0.272SS*.THydrogen-bonded Turntrans-97.27.3-179.3-60.3-173.9178.8-175.50113.3P344P344-K346 PolarHBondContact O-N 3.14Å
347Y91.3Very high88.1Confident1 Ų154.9 Ų54.90%0.00427%0.27CS..  trans-79.4131.5176.4175.5-102.7000109.5L343 P344 E349 V360 S361 G362 P447 F448L343-Y347 HydrophobicContact CB-CD1 4.26Å; L343-Y347 HydrophobicContact CD1-CD1 4.02Å; L343-Y347 HydrophobicContact CD1-CE1 4.14Å; L343-Y347 HydrophobicContact CD2-CD1 4.28Å; L343-Y347 HydrophobicContact CD2-CE1 4.3Å; L343-Y347 HydrophobicContact CG-CD1 4.42Å; P344-Y347 WeakPolarHBondContact O-CB 3.45Å; P344-Y347 PolarHBondContact O-N 2.91Å; Y347-E349 HydrophobicContact CD2-CG 4.36Å; Y347-E349 HydrophobicContact CE2-CB 4.06Å; Y347-E349 HydrophobicContact CE2-CG 3.66Å; Y347-E349 WeakPolarHBondContact CE2-OE1 3.34Å; Y347-E349 PolarHBondContact OH-OE2 2.92Å; Y347-V360 HydrophobicContact CE1-CG2 3.84Å; Y347-S361 CarbonylContact O-C 3.6Å; Y347-S361 WeakPolarHBondContact O-CA 3.28Å; Y347-S361 PolarHBondContact O-OG 3.4Å; Y347-S361 VanDerWaalsContact O-OG 3.11Å; Y347-G362 PolarHBondContact O-N 3.13Å; Y347-P447 HydrophobicContact CD1-CB 4.37Å; Y347-P447 HydrophobicContact CD2-CB 3.49Å; Y347-P447 VanDerWaalsContact CD2-CB 3.49Å; Y347-P447 HydrophobicContact CD2-CG 4.11Å; Y347-P447 HydrophobicContact CE1-CB 4.15Å; Y347-P447 HydrophobicContact CE1-CG 4.39Å; Y347-P447 HydrophobicContact CE2-CB 3.22Å; Y347-P447 HydrophobicContact CE2-CG 3.31Å; Y347-P447 HydrophobicContact CG-CB 4.05Å; Y347-P447 VanDerWaalsContact CZ-CG 3.47Å; Y347-P447 WeakPolarHBondContact OH-CG 3.43Å; Y347-F448 HydrophobicContact CE1-CZ 4.35Å; Y347-F448 WeakPolarHBondContact OH-CE2 3.23Å
348R92.6Very high88.1Confident168 Ų16854 Ų5463%0.63426%0.262SS*.EExtended strand (participates in β ladder)trans-155.3115.4173.3-178.5174-178.6145-2.6109.1V360R348-V360 VanDerWaalsContact CA-O 3.3Å; R348-V360 WeakPolarHBondContact CA-O 3.47Å
349E91.3Very high88.1Confident91 Ų9157 Ų5743%0.42528%0.275SS..EExtended strand (participates in β ladder)trans-148.9165.4-178.9-69.2-178.7-161.800110.5Y347 V360 R443Y347-E349 HydrophobicContact CD2-CG 4.36Å; Y347-E349 HydrophobicContact CE2-CB 4.06Å; Y347-E349 HydrophobicContact CE2-CG 3.66Å; Y347-E349 WeakPolarHBondContact CE2-OE1 3.34Å; Y347-E349 PolarHBondContact OH-OE2 2.92Å; E349-V360 PolarHBondContact N-O 2.95Å; E349-V360 VanDerWaalsContact N-O 3.07Å; E349-V360 VanDerWaalsContact O-CG2 3.32Å; E349-V360 WeakPolarHBondContact O-CG2 3.28Å; E349-V360 PolarHBondContact O-N 3.09Å; E349-R443 IonicContact OE1-NH2 2.73Å
350E90.3Very high88.1Confident114 Ų11453.9 Ų53.953%0.53326%0.257SS..EExtended strand (participates in β ladder)trans-96.9127.9169.3-172.9177.2157.900109S357 Y358E350-S357 WeakPolarHBondContact OE1-CB 3.49Å; E350-S357 PolarHBondContact OE1-OG 2.88Å; E350-Y358 CarbonylContact C-O 3.21Å; E350-Y358 WeakPolarHBondContact CA-O 3.35Å
351V87.3Confident88Confident28 Ų2854.3 Ų54.317%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-119.8139.1-179.6-62.50000110.7Y358 V360 F448V351-Y358 PolarHBondContact N-O 3.49Å; V351-Y358 PolarHBondContact O-N 2.96Å; V351-V360 HydrophobicContact CG1-CG2 3.91Å; V351-V360 HydrophobicContact CG2-CG1 3.83Å; V351-V360 HydrophobicContact CG2-CG2 3.99Å; V351-F448 HydrophobicContact CG1-CE2 3.93Å; V351-F448 HydrophobicContact CG1-CZ 3.81Å
352K82.1Confident87.9Confident150 Ų15054.1 Ų54.165%0.65226%0.258SS*.EExtended strand (participates in β ladder)trans-99.5139177.8-67.3-172.4177.2-172.60112.1D356K352-D356 CarbonylContact C-O 3.53Å; K352-D356 VanDerWaalsContact CA-O 3.25Å; K352-D356 WeakPolarHBondContact CA-O 3.3Å
353F78.8Confident87.7Confident30 Ų3056.8 Ų56.813%0.13227%0.272CS..EExtended strand (participates in β ladder)trans-152.8128.6171.2176.3-102.8000110.8L202 V315 A316 L319 G355 D356 Y358L202-F353 HydrophobicContact CD1-CZ 4.41Å; V315-F353 HydrophobicContact CB-CD2 3.91Å; V315-F353 HydrophobicContact CB-CE2 3.79Å; V315-F353 HydrophobicContact CG1-CB 4.43Å; V315-F353 HydrophobicContact CG1-CD2 3.28Å; V315-F353 HydrophobicContact CG1-CE2 3.72Å; V315-F353 HydrophobicContact CG1-CG 4.09Å; A316-F353 HydrophobicContact CB-CZ 3.95Å; L319-F353 HydrophobicContact CD1-CB 3.83Å; L319-F353 HydrophobicContact CD1-CD1 3.18Å; L319-F353 HydrophobicContact CD1-CE1 3.85Å; L319-F353 HydrophobicContact CD1-CG 3.65Å; L319-F353 HydrophobicContact CG-CD1 4.43Å; F353-G355 PolarHBondContact O-N 3.06Å; F353-D356 PolarHBondContact N-O 3.19Å; F353-D356 PolarHBondContact O-N 3.48Å; F353-D356 VanDerWaalsContact O-N 3.11Å; F353-Y358 HydrophobicContact CB-CE2 4.26Å
354G72.3Confident87.2Confident14 Ų1461.3 Ų61.314%0.14430%0.301CS..THydrogen-bonded Turntrans62.828.8-179.400000112.3E159 K161 D356E159-G354 WeakPolarHBondContact OE1-CA 3.38Å; E159-G354 PolarHBondContact OE1-N 2.89Å; K161-G354 VanDerWaalsContact CD-O 3.27Å; K161-G354 WeakPolarHBondContact CD-O 3.2Å; K161-G354 VanDerWaalsContact CE-O 3.23Å; K161-G354 WeakPolarHBondContact CE-O 3.32Å; K161-G354 PolarHBondContact NZ-O 3.29Å; G354-D356 VanDerWaalsContact C-N 3.27Å; G354-D356 PolarHBondContact O-N 2.69Å
355G73.9Confident86.7Confident23 Ų2364.7 Ų64.724%0.23734%0.338CS..THydrogen-bonded Turntrans80-5.5-174.800000115.3E159 F353E159-G355 VanDerWaalsContact CD-N 3.34Å; E159-G355 PolarHBondContact OE1-N 3.13Å; E159-G355 WeakPolarHBondContact OE2-CA 3.12Å; E159-G355 PolarHBondContact OE2-N 3.34Å; F353-G355 PolarHBondContact O-N 3.06Å
356D79.6Confident86.5Confident55 Ų5560.8 Ų60.829%0.29433%0.327SS..EExtended strand (participates in β ladder)trans-100.9145.2-179.5-58.9-49.2000112K161 K352 F353 G354 Y358K161-D356 IonicContact NZ-OD1 2.65Å; K161-D356 PolarHBondContact NZ-OD1 3.02Å; K161-D356 IonicContact NZ-OD2 3.44Å; K161-D356 PolarHBondContact NZ-OD2 3.49Å; K352-D356 CarbonylContact C-O 3.53Å; K352-D356 VanDerWaalsContact CA-O 3.25Å; K352-D356 WeakPolarHBondContact CA-O 3.3Å; F353-D356 PolarHBondContact N-O 3.19Å; F353-D356 PolarHBondContact O-N 3.48Å; F353-D356 VanDerWaalsContact O-N 3.11Å; G354-D356 VanDerWaalsContact C-N 3.27Å; G354-D356 PolarHBondContact O-N 2.69Å; D356-Y358 HydrophobicContact CB-CE2 3.89Å
357S84.6Confident86.5Confident55 Ų5560.7 Ų60.739%0.38532%0.322SS..EExtended strand (participates in β ladder)trans-98.2136.2179.6-85.80000112.7E350E350-S357 WeakPolarHBondContact OE1-CB 3.49Å; E350-S357 PolarHBondContact OE1-OG 2.88Å
358Y87.5Confident86.5Confident20 Ų2062.3 Ų62.38%0.07834%0.336CS..EExtended strand (participates in β ladder)trans-128.7125.7178.8-56.9-89.3000111.1L319 A324 F338 E350 V351 F353 D356 V360L319-Y358 HydrophobicContact CD1-CD2 4.44Å; L319-Y358 HydrophobicContact CD1-CE2 3.94Å; L319-Y358 HydrophobicContact CD2-CD2 4Å; L319-Y358 HydrophobicContact CD2-CE2 4.31Å; L319-Y358 HydrophobicContact CD2-CG 4.16Å; A324-Y358 HydrophobicContact CB-CD1 4.01Å; A324-Y358 HydrophobicContact CB-CE1 4.35Å; F338-Y358 HydrophobicContact CE2-CD1 4.21Å; E350-Y358 CarbonylContact C-O 3.21Å; E350-Y358 WeakPolarHBondContact CA-O 3.35Å; V351-Y358 PolarHBondContact N-O 3.49Å; V351-Y358 PolarHBondContact O-N 2.96Å; F353-Y358 HydrophobicContact CB-CE2 4.26Å; D356-Y358 HydrophobicContact CB-CE2 3.89Å; Y358-V360 PolarHBondContact O-N 2.8Å
359K91.6Very high86.5Confident74 Ų7454.7 Ų54.732%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-79.5117.7170.8-68.5170.1-175.1157.30109.3D334 V337 F338D334-K359 PolarHBondContact O-NZ 2.83Å; D334-K359 VanDerWaalsContact O-NZ 3.11Å; V337-K359 WeakPolarHBondContact CA-O 3.28Å; V337-K359 HydrophobicContact CG2-CB 4.3Å; F338-K359 PolarHBondContact N-O 3.34Å
360V93.4Very high86.8Confident1 Ų151.5 Ų51.51%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-123.9149.8-176.2-61.70000111.5L322 F338 Y347 R348 E349 V351 Y358 F448L322-V360 HydrophobicContact CD1-CB 4.41Å; L322-V360 HydrophobicContact CD1-CG1 3.7Å; L322-V360 HydrophobicContact CD2-CG1 4.49Å; F338-V360 HydrophobicContact CB-CG1 4.45Å; F338-V360 CarbonylContact O-C 3.56Å; F338-V360 VanDerWaalsContact O-CA 3.28Å; F338-V360 WeakPolarHBondContact O-CA 3.18Å; Y347-V360 HydrophobicContact CE1-CG2 3.84Å; R348-V360 VanDerWaalsContact CA-O 3.3Å; R348-V360 WeakPolarHBondContact CA-O 3.47Å; E349-V360 PolarHBondContact N-O 2.95Å; E349-V360 VanDerWaalsContact N-O 3.07Å; E349-V360 VanDerWaalsContact O-CG2 3.32Å; E349-V360 WeakPolarHBondContact O-CG2 3.28Å; E349-V360 PolarHBondContact O-N 3.09Å; V351-V360 HydrophobicContact CG1-CG2 3.91Å; V351-V360 HydrophobicContact CG2-CG1 3.83Å; V351-V360 HydrophobicContact CG2-CG2 3.99Å; Y358-V360 PolarHBondContact O-N 2.8Å; V360-F448 HydrophobicContact CG2-CZ 4.1Å
361S93.8Very high87.1Confident8 Ų853 Ų536%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-150.6155.5-179.4-179.90000112.7F338 T339 S340 Y347F338-S361 PolarHBondContact O-N 3.42Å; T339-S361 VanDerWaalsContact CA-O 3.23Å; T339-S361 WeakPolarHBondContact CA-O 3.38Å; S340-S361 PolarHBondContact N-O 3.02Å; Y347-S361 CarbonylContact O-C 3.6Å; Y347-S361 WeakPolarHBondContact O-CA 3.28Å; Y347-S361 PolarHBondContact O-OG 3.4Å; Y347-S361 VanDerWaalsContact O-OG 3.11Å
362G93.8Very high87.5Confident0 Ų055.1 Ų55.10%031%0.309CS..EExtended strand (participates in β ladder)trans-65.2159.4157.200000110.8P344 Y347 P364P344-G362 WeakPolarHBondContact O-CA 3.21Å; Y347-G362 PolarHBondContact O-N 3.13Å; G362-P364 WeakPolarHBondContact O-CD 3.47Å
363I92.4Very high88.2Confident56 Ų5648 Ų4829%0.28728%0.278SS..  trans-71.5112.6176.3-58.6172.3000108.8G365 G366I363-G365 PolarHBondContact O-N 2.84Å; I363-G366 PolarHBondContact O-N 3.01Å
364P86Confident89.2Confident96 Ų9648.2 Ų48.262%0.62328%0.278SS*.THydrogen-bonded Turntrans-63.7133.5179.1-20.134.5000110.4G362 G366G362-P364 WeakPolarHBondContact O-CD 3.47Å; P364-G366 PolarHBondContact O-N 3.04Å
365G82.1Confident90.3Very high82 Ų8254.1 Ų54.185%0.84530%0.297SS*.THydrogen-bonded Turntrans67.7-13.6-177.700000115.7I363I363-G365 PolarHBondContact O-N 2.84Å
366G84.4Confident91.4Very high19 Ų1954.3 Ų54.320%0.19629%0.291CS..SBendtrans-78.1175.9-178.100000114.4K345 I363 P364K345-G366 VanDerWaalsContact CD-O 3.31Å; K345-G366 WeakPolarHBondContact CD-O 3.35Å; K345-G366 WeakPolarHBondContact CE-O 3.29Å; K345-G366 PolarHBondContact NZ-O 2.88Å; I363-G366 PolarHBondContact O-N 3.01Å; P364-G366 PolarHBondContact O-N 3.04Å
367Y87.1Confident92.3Very high189 Ų18951.7 Ų51.774%0.74128%0.277SS*.  trans-87.7142.6172-64.8-81.6000110.7L372Y367-L372 VanDerWaalsContact CB-CD1 3.5Å; Y367-L372 WeakPolarHBondContact O-CD1 3.39Å
368A91Very high92.9Very high36 Ų3650.7 Ų50.730%0.29827%0.267SS..  trans-127.4151.1174.400000108.6S341 K345 M439S341-A368 WeakPolarHBondContact O-CA 3.49Å; S341-A368 WeakPolarHBondContact O-CB 3.45Å; K345-A368 HydrophobicContact CG-CB 4.42Å; A368-M439 HydrophobicContact CB-CE 4.23Å; A368-M439 HydrophobicContact CB-SD 4.07Å
369G92.8Very high93.2Very high8 Ų858.2 Ų58.28%0.08230%0.296CS..SBendtrans149.8171.6178.200000113.3S341 K371 L372 C373S341-G369 PolarHBondContact O-N 2.72Å; G369-K371 VanDerWaalsContact C-N 3.34Å; G369-K371 PolarHBondContact O-N 3.26Å; G369-L372 PolarHBondContact O-N 2.82Å; G369-C373 WeakPolarHBondContact O-CB 3.33Å; G369-C373 PolarHBondContact O-N 3.21Å
370Y97.1Very high93.3Very high23 Ų2355.4 Ų55.49%0.0929%0.285CS..Hα-helixtrans-56.4-44.4-169177.3-96.4000113.2L372 C373 Y374 A432 K433 T454Y370-L372 PolarHBondContact O-N 3.31Å; Y370-C373 PolarHBondContact O-N 3.34Å; Y370-Y374 HydrophobicContact CE1-CD2 4.35Å; Y370-Y374 HydrophobicContact CE1-CG 4.37Å; Y370-Y374 HydrophobicContact CE2-CD2 4.29Å; Y370-Y374 AromaticContact CZ-CD2 3.75Å; Y370-Y374 WeakPolarHBondContact O-CB 3.36Å; Y370-Y374 PolarHBondContact O-N 3.19Å; Y370-Y374 VanDerWaalsContact OH-CD2 3.26Å; Y370-Y374 WeakPolarHBondContact OH-CD2 3.41Å; Y370-Y374 WeakPolarHBondContact OH-CE2 3.31Å; Y370-A432 HydrophobicContact CD2-CB 3.81Å; Y370-A432 HydrophobicContact CE2-CB 3.53Å; Y370-K433 HydrophobicContact CD1-CD 4.47Å; Y370-K433 HydrophobicContact CD1-CG 3.62Å; Y370-K433 HydrophobicContact CD2-CG 4.01Å; Y370-K433 HydrophobicContact CE1-CG 4Å; Y370-K433 HydrophobicContact CE2-CG 4.33Å; Y370-K433 HydrophobicContact CG-CB 4.43Å; Y370-K433 HydrophobicContact CG-CG 3.64Å; Y370-T454 HydrophobicContact CD2-CG2 4.4Å; Y370-T454 HydrophobicContact CE2-CG2 4.12Å
371K96.9Very high93.4Very high145 Ų14555.4 Ų55.463%0.6328%0.284SS*.Hα-helixtrans-61.8-48-176.2-173.4-178.4179.6-174.90111.8G369 Y374 Y375G369-K371 VanDerWaalsContact C-N 3.34Å; G369-K371 PolarHBondContact O-N 3.26Å; K371-Y374 PolarHBondContact O-N 3.03Å; K371-Y375 HydrophobicContact CD-CE2 4.26Å; K371-Y375 VanDerWaalsContact CE-OH 3.3Å; K371-Y375 WeakPolarHBondContact CE-OH 3.48Å; K371-Y375 HydrophobicContact CG-CD2 4.32Å; K371-Y375 HydrophobicContact CG-CE2 3.67Å; K371-Y375 WeakPolarHBondContact O-CD2 3.19Å; K371-Y375 PolarHBondContact O-N 3.46Å
372L96.4Very high93.3Very high73 Ų7362.3 Ų62.338%0.38231%0.314SS..Hα-helixtrans-67.6-45.9179.8-64.1173.1000111S341 Y367 G369 Y370 Y374 Y375 E376S341-L372 VanDerWaalsContact OG-C 3.25Å; S341-L372 VanDerWaalsContact OG-CB 3.3Å; S341-L372 WeakPolarHBondContact OG-CB 3.39Å; Y367-L372 VanDerWaalsContact CB-CD1 3.5Å; Y367-L372 WeakPolarHBondContact O-CD1 3.39Å; G369-L372 PolarHBondContact O-N 2.82Å; Y370-L372 PolarHBondContact O-N 3.31Å; L372-Y374 VanDerWaalsContact C-N 3.28Å; L372-Y374 PolarHBondContact O-N 3.27Å; L372-Y375 WeakPolarHBondContact O-CB 3.27Å; L372-Y375 PolarHBondContact O-N 2.87Å; L372-Y375 VanDerWaalsContact O-N 3.13Å; L372-E376 PolarHBondContact O-N 2.92Å; L372-E376 VanDerWaalsContact O-N 3.13Å
373C97.8Very high92.9Very high0 Ų066 Ų660%035%0.351CS..Hα-helixtrans-58.3-42175.8-179.60000112S341 C342 G369 Y370 Y375 E376 V377 T454S341-C373 PolarHBondContact OG-N 3.45Å; C342-C373 VanDerWaalsContact CA-SG 3.56Å; C342-C373 HydrophobicContact CB-CB 3.82Å; C342-C373 WeakPolarHBondContact CB-SG 3.28Å; C342-C373 WeakPolarHBondContact SG-CA 3.37Å; C342-C373 WeakPolarHBondContact SG-CB 3.38Å; C342-C373 CovalentContact SG-SG 2.03Å; C342-C373 PolarHBondContact SG-SG 2.86Å; G369-C373 WeakPolarHBondContact O-CB 3.33Å; G369-C373 PolarHBondContact O-N 3.21Å; Y370-C373 PolarHBondContact O-N 3.34Å; C373-Y375 VanDerWaalsContact C-N 3.31Å; C373-Y375 PolarHBondContact O-N 2.82Å; C373-E376 PolarHBondContact O-N 3.11Å; C373-E376 VanDerWaalsContact O-N 3.15Å; C373-V377 WeakPolarHBondContact O-CB 3.44Å; C373-V377 WeakPolarHBondContact O-CG2 3.39Å; C373-V377 PolarHBondContact O-N 3.29Å; C373-T454 HydrophobicContact CB-CG2 4.31Å
374Y98Very high92.8Very high36 Ų3667.8 Ų67.814%0.14136%0.361CS..Hα-helixtrans-64.5-35.1179-168.4-98.8000112Y370 K371 L372 M378 T454 T457 C458 E462Y370-Y374 HydrophobicContact CE1-CD2 4.35Å; Y370-Y374 HydrophobicContact CE1-CG 4.37Å; Y370-Y374 HydrophobicContact CE2-CD2 4.29Å; Y370-Y374 AromaticContact CZ-CD2 3.75Å; Y370-Y374 WeakPolarHBondContact O-CB 3.36Å; Y370-Y374 PolarHBondContact O-N 3.19Å; Y370-Y374 VanDerWaalsContact OH-CD2 3.26Å; Y370-Y374 WeakPolarHBondContact OH-CD2 3.41Å; Y370-Y374 WeakPolarHBondContact OH-CE2 3.31Å; K371-Y374 PolarHBondContact O-N 3.03Å; L372-Y374 VanDerWaalsContact C-N 3.28Å; L372-Y374 PolarHBondContact O-N 3.27Å; Y374-M378 HydrophobicContact CD1-CE 3.83Å; Y374-M378 HydrophobicContact CE1-CE 3.08Å; Y374-M378 WeakPolarHBondContact O-CB 3.35Å; Y374-M378 PolarHBondContact O-N 2.84Å; Y374-T454 VanDerWaalsContact CA-CG2 3.43Å; Y374-T454 HydrophobicContact CD2-CG2 3.71Å; Y374-T454 HydrophobicContact CG-CG2 4.21Å; Y374-T457 HydrophobicContact CE2-CG2 4.33Å; Y374-C458 HydrophobicContact CD2-CB 4.29Å; Y374-C458 HydrophobicContact CE2-CB 3.72Å; Y374-E462 VanDerWaalsContact OH-CG 3.23Å; Y374-E462 WeakPolarHBondContact OH-CG 3.41Å; Y374-E462 PolarHBondContact OH-OE1 2.85Å; Y374-E462 VanDerWaalsContact OH-OE1 3.09Å
375Y96.6Very high93.2Very high137 Ų13764.2 Ų64.254%0.53734%0.336SS..Hα-helixtrans-65.5-41.3171.9-70.8-56.7000112.5K371 L372 C373 M378 R379K371-Y375 HydrophobicContact CD-CE2 4.26Å; K371-Y375 VanDerWaalsContact CE-OH 3.3Å; K371-Y375 WeakPolarHBondContact CE-OH 3.48Å; K371-Y375 HydrophobicContact CG-CD2 4.32Å; K371-Y375 HydrophobicContact CG-CE2 3.67Å; K371-Y375 WeakPolarHBondContact O-CD2 3.19Å; K371-Y375 PolarHBondContact O-N 3.46Å; L372-Y375 WeakPolarHBondContact O-CB 3.27Å; L372-Y375 PolarHBondContact O-N 2.87Å; L372-Y375 VanDerWaalsContact O-N 3.13Å; C373-Y375 VanDerWaalsContact C-N 3.31Å; C373-Y375 PolarHBondContact O-N 2.82Å; Y375-M378 PolarHBondContact O-N 3.48Å; Y375-R379 PolarHBondContact O-N 3.07Å
376E97.1Very high93.7Very high27 Ų2762.5 Ų62.513%0.12631%0.306CS..Hα-helixtrans-62.9-47.6177-65.4-179.7-164.800111.2T321 S340 S341 L372 C373 M378 R379T321-E376 HydrophobicContact CG2-CB 3.87Å; S340-E376 VanDerWaalsContact CB-OE2 3.27Å; S340-E376 WeakPolarHBondContact CB-OE2 3.26Å; S340-E376 PolarHBondContact OG-OE2 2.91Å; S341-E376 WeakPolarHBondContact CB-OE1 3.4Å; S341-E376 PolarHBondContact N-OE1 3.44Å; S341-E376 PolarHBondContact N-OE2 3.38Å; S341-E376 PolarHBondContact OG-OE1 3.36Å; L372-E376 PolarHBondContact O-N 2.92Å; L372-E376 VanDerWaalsContact O-N 3.13Å; C373-E376 PolarHBondContact O-N 3.11Å; C373-E376 VanDerWaalsContact O-N 3.15Å; E376-M378 PolarHBondContact O-N 3.48Å; E376-R379 WeakPolarHBondContact O-CB 3.46Å; E376-R379 PolarHBondContact O-N 3.36Å
377V97.9Very high94.1Very high0 Ų065.4 Ų65.40%031%0.314CS..Hα-helixtrans-62.4-39.1176.8163.90000112T321 C373 R379 V380 V381 T454 Y455 C458T321-V377 HydrophobicContact CG2-CG2 3.86Å; C373-V377 WeakPolarHBondContact O-CB 3.44Å; C373-V377 WeakPolarHBondContact O-CG2 3.39Å; C373-V377 PolarHBondContact O-N 3.29Å; V377-R379 PolarHBondContact O-N 3.06Å; V377-V380 WeakPolarHBondContact O-CA 3.4Å; V377-V380 WeakPolarHBondContact O-CB 3.37Å; V377-V380 PolarHBondContact O-N 3.37Å; V377-V381 HydrophobicContact CG1-CG2 4.28Å; V377-V381 PolarHBondContact O-N 3.4Å; V377-V381 VanDerWaalsContact O-N 3.15Å; V377-T454 HydrophobicContact CB-CG2 4.24Å; V377-T454 HydrophobicContact CG1-CG2 4.5Å; V377-T454 HydrophobicContact CG2-CG2 4.02Å; V377-Y455 HydrophobicContact CG1-CD2 4.09Å; V377-C458 HydrophobicContact CG1-CB 3.45Å; V377-C458 VanDerWaalsContact CG1-CB 3.45Å
378M96.8Very high94.2Very high35 Ų3556.5 Ų56.517%0.17228%0.279CS..Hα-helixtrans-58.1-33.4179.2-173.570.262.700111.9Y374 Y375 E376 V380 V381 K382 E462Y374-M378 HydrophobicContact CD1-CE 3.83Å; Y374-M378 HydrophobicContact CE1-CE 3.08Å; Y374-M378 WeakPolarHBondContact O-CB 3.35Å; Y374-M378 PolarHBondContact O-N 2.84Å; Y375-M378 PolarHBondContact O-N 3.48Å; E376-M378 PolarHBondContact O-N 3.48Å; M378-V380 PolarHBondContact O-N 3.48Å; M378-V381 PolarHBondContact O-N 2.89Å; M378-K382 HydrophobicContact CG-CB 4.05Å; M378-K382 HydrophobicContact CG-CD 4.26Å; M378-K382 WeakPolarHBondContact O-CB 3.28Å; M378-K382 PolarHBondContact O-N 2.86Å; M378-K382 HydrophobicContact SD-CB 3.92Å; M378-K382 HydrophobicContact SD-CD 4.25Å; M378-K382 HydrophobicContact SD-CG 4.46Å; M378-E462 HydrophobicContact CE-CB 4.5Å; M378-E462 HydrophobicContact CE-CG 3.7Å; M378-E462 HydrophobicContact SD-CB 4.09Å; M378-E462 HydrophobicContact SD-CG 3.93Å
379R94.4Very high93.7Very high178 Ų17861.9 Ų61.967%0.67229%0.293SS*.Hα-helixtrans-64.9-26.3176.1-63.1179.6-64.2179.30.6112.7Y375 E376 V377Y375-R379 PolarHBondContact O-N 3.07Å; E376-R379 WeakPolarHBondContact O-CB 3.46Å; E376-R379 PolarHBondContact O-N 3.36Å; V377-R379 PolarHBondContact O-N 3.06Å
380V94.1Very high93.3Very high15 Ų1562.2 Ų62.29%0.09129%0.293CS..Hα-helixtrans-82.1-36.9176.7-177.70000110.9A320 V377 M378 N384 Y455A320-V380 HydrophobicContact CB-CB 4.41Å; A320-V380 HydrophobicContact CB-CG1 3.66Å; A320-V380 HydrophobicContact CB-CG2 3.8Å; V377-V380 WeakPolarHBondContact O-CA 3.4Å; V377-V380 WeakPolarHBondContact O-CB 3.37Å; V377-V380 PolarHBondContact O-N 3.37Å; M378-V380 PolarHBondContact O-N 3.48Å; V380-N384 PolarHBondContact O-ND2 2.98Å; V380-Y455 HydrophobicContact CG1-CE2 4.45Å
381V95.9Very high92.7Very high0 Ų061.2 Ų61.20%029%0.289CS..Hα-helixtrans-92.4-44.1-171.9178.70000113.2V377 M378 G383 N384 F385 Y455 C458 E462 G463V377-V381 HydrophobicContact CG1-CG2 4.28Å; V377-V381 PolarHBondContact O-N 3.4Å; V377-V381 VanDerWaalsContact O-N 3.15Å; M378-V381 PolarHBondContact O-N 2.89Å; V381-G383 PolarHBondContact O-N 3.24Å; V381-N384 PolarHBondContact O-N 3.11Å; V381-F385 HydrophobicContact CB-CE2 4.39Å; V381-F385 HydrophobicContact CG1-CD2 3.96Å; V381-F385 HydrophobicContact CG1-CE2 4.13Å; V381-F385 HydrophobicContact CG2-CE2 4.48Å; V381-F385 WeakPolarHBondContact O-CD2 3.31Å; V381-Y455 HydrophobicContact CG2-CD2 4.07Å; V381-Y455 HydrophobicContact CG2-CE2 3.7Å; V381-C458 HydrophobicContact CG2-CB 4.22Å; V381-E462 HydrophobicContact CG1-CB 4.28Å; V381-G463 VanDerWaalsContact CG1-CA 3.47Å
382K89.9Confident91.9Very high154 Ų15458.4 Ų58.467%0.6728%0.277SS*.THydrogen-bonded Turntrans-65.5122.8-168-171.5176-179.7-1800111.5M378 N384M378-K382 HydrophobicContact CG-CB 4.05Å; M378-K382 HydrophobicContact CG-CD 4.26Å; M378-K382 WeakPolarHBondContact O-CB 3.28Å; M378-K382 PolarHBondContact O-N 2.86Å; M378-K382 HydrophobicContact SD-CB 3.92Å; M378-K382 HydrophobicContact SD-CD 4.25Å; M378-K382 HydrophobicContact SD-CG 4.46Å; K382-N384 VanDerWaalsContact C-N 3.28Å; K382-N384 PolarHBondContact O-N 3.19Å
383G86.6Confident91.1Very high76 Ų7657.1 Ų57.178%0.78428%0.281SS*.THydrogen-bonded Turntrans83.9-6.3177.900000115.1V381V381-G383 PolarHBondContact O-N 3.24Å
384N90.3Very high90.1Very high95 Ų9562.6 Ų62.651%0.50832%0.32SS..SBendtrans-97.2-2.5-180-64.7-47000113.4V380 V381 K382V380-N384 PolarHBondContact O-ND2 2.98Å; V381-N384 PolarHBondContact O-N 3.11Å; K382-N384 VanDerWaalsContact C-N 3.28Å; K382-N384 PolarHBondContact O-N 3.19Å
385F94.3Very high89.5Confident21 Ų2161.7 Ų61.79%0.09232%0.319CS..SBendtrans-127.5141.9-176.4-67.4-100.8000111.1T272 Y309 N312 V381 L459 G463 F464T272-F385 HydrophobicContact CG2-CE1 4.05Å; Y309-F385 AromaticContact CD1-CD1 3.55Å; Y309-F385 HydrophobicContact CD1-CD1 3.55Å; Y309-F385 AromaticContact CD1-CE1 3.74Å; Y309-F385 HydrophobicContact CD1-CE1 3.74Å; Y309-F385 HydrophobicContact CD1-CG 4.16Å; Y309-F385 AromaticContact CD2-CD1 3.73Å; Y309-F385 HydrophobicContact CD2-CD1 3.73Å; Y309-F385 AromaticContact CD2-CE1 3.75Å; Y309-F385 HydrophobicContact CD2-CE1 3.75Å; Y309-F385 HydrophobicContact CE1-CB 4.1Å; Y309-F385 AromaticContact CE1-CD1 3.58Å; Y309-F385 HydrophobicContact CE1-CD1 3.58Å; Y309-F385 HydrophobicContact CE1-CE1 4.26Å; Y309-F385 HydrophobicContact CE1-CG 4Å; Y309-F385 AromaticContact CE2-CD1 3.76Å; Y309-F385 HydrophobicContact CE2-CD1 3.76Å; Y309-F385 HydrophobicContact CE2-CE1 4.26Å; Y309-F385 AromaticContact CG-CD1 3.61Å; Y309-F385 HydrophobicContact CG-CD1 3.61Å; Y309-F385 AromaticContact CG-CE1 3.45Å; Y309-F385 HydrophobicContact CG-CE1 3.45Å; Y309-F385 VanDerWaalsContact CG-CE1 3.45Å; Y309-F385 HydrophobicContact CG-CZ 4.37Å; Y309-F385 AromaticContact CZ-CD1 3.65Å; N312-F385 HydrophobicContact CB-CE1 4.31Å; N312-F385 HydrophobicContact CB-CZ 3.72Å; N312-F385 WeakPolarHBondContact OD1-CZ 3.49Å; V381-F385 HydrophobicContact CB-CE2 4.39Å; V381-F385 HydrophobicContact CG1-CD2 3.96Å; V381-F385 HydrophobicContact CG1-CE2 4.13Å; V381-F385 HydrophobicContact CG2-CE2 4.48Å; V381-F385 WeakPolarHBondContact O-CD2 3.31Å; F385-L459 HydrophobicContact CD1-CD1 3.7Å; F385-L459 HydrophobicContact CE1-CD1 3.2Å; F385-L459 HydrophobicContact CE2-CD1 4.19Å; F385-L459 HydrophobicContact CG-CD1 4.37Å; F385-L459 HydrophobicContact CZ-CD1 3.46Å; F385-L459 VanDerWaalsContact CZ-CD1 3.46Å; F385-G463 VanDerWaalsContact CB-O 3.24Å; F385-G463 WeakPolarHBondContact CB-O 3.43Å; F385-F464 HydrophobicContact CD1-CD1 4.25Å; F385-F464 AromaticContact CD1-CE1 3.75Å; F385-F464 HydrophobicContact CD1-CE1 3.75Å; F385-F464 HydrophobicContact CD1-CZ 4.46Å; F385-F464 HydrophobicContact CE1-CE1 4.23Å
386H93.3Very high89.2Confident45 Ų4559.1 Ų59.121%0.20831%0.313CS..  trans-81.9134.7169.8-178.1-106.7000109.9F291 Y305 Y309 P388F291-H386 HydrophobicContact CD2-CB 4.1Å; F291-H386 HydrophobicContact CE2-CB 3.52Å; F291-H386 HydrophobicContact CZ-CB 4.47Å; Y305-H386 AromaticContact CE2-CE1 3.89Å; Y305-H386 AromaticContact CE2-ND1 3.57Å; Y305-H386 AromaticContact CZ-ND1 3.62Å; Y305-H386 PolarHBondContact OH-ND1 2.75Å; Y309-H386 WeakPolarHBondContact OH-CB 3.37Å; Y309-H386 PolarHBondContact OH-N 3.39Å; Y309-H386 PolarHBondContact OH-O 2.98Å; H386-P388 WeakPolarHBondContact O-CD 3.3Å
387Q92.8Very high89.1Confident81 Ų8157.9 Ų57.938%0.37931%0.307SS..  trans-102.189.9175.9-67.7-17011.600110.5Y389 E462 G463 F464Q387-Y389 PolarHBondContact O-N 2.95Å; Q387-E462 PolarHBondContact NE2-O 3.48Å; Q387-G463 WeakPolarHBondContact CG-O 3.02Å; Q387-F464 WeakPolarHBondContact CA-O 3.47Å
388P88.4Confident89.1Confident1 Ų159.9 Ų59.91%0.00632%0.315CS..  trans-63.2134.4179.324.6-32.3000110.8I274 F276 T283 Y305 H386 E390 V391I274-P388 HydrophobicContact CD1-CG 4.29Å; F276-P388 HydrophobicContact CE1-CB 4.28Å; F276-P388 HydrophobicContact CE1-CG 4.07Å; F276-P388 HydrophobicContact CZ-CB 3.91Å; F276-P388 HydrophobicContact CZ-CG 4.2Å; T283-P388 HydrophobicContact CG2-CB 4.43Å; Y305-P388 HydrophobicContact CE1-CB 4.4Å; Y305-P388 HydrophobicContact CE1-CG 4.1Å; Y305-P388 HydrophobicContact CE2-CB 4.13Å; H386-P388 WeakPolarHBondContact O-CD 3.3Å; P388-E390 PolarHBondContact O-N 3.29Å; P388-V391 HydrophobicContact CG-CG1 3.68Å; P388-V391 HydrophobicContact CG-CG2 4.2Å; P388-V391 WeakPolarHBondContact O-CG2 3.39Å; P388-V391 PolarHBondContact O-N 3.3Å
389Y81.5Confident89.1Confident150 Ų15058.2 Ų58.259%0.58831%0.307SS*.G310 helixtrans-53.1-36.1-177.3176.9-100.4000113.1Q387 V391 K392Q387-Y389 PolarHBondContact O-N 2.95Å; Y389-V391 VanDerWaalsContact C-N 3.34Å; Y389-V391 PolarHBondContact O-N 3.1Å; Y389-K392 WeakPolarHBondContact O-CB 3.46Å; Y389-K392 PolarHBondContact O-N 3.4Å
390E83.7Confident89.2Confident14 Ų1449.8 Ų49.87%0.06528%0.275CS..G310 helixtrans-70.3-23.6-171.8-163.7163150.300114.9F276 P278 K279 S280 T283 P388 K392 G393F276-E390 HydrophobicContact CE2-CB 3.93Å; F276-E390 HydrophobicContact CE2-CG 4.23Å; F276-E390 HydrophobicContact CZ-CB 4.25Å; P278-E390 VanDerWaalsContact CA-OE2 3.28Å; P278-E390 WeakPolarHBondContact CA-OE2 3.38Å; K279-E390 VanDerWaalsContact CB-OE1 3.31Å; K279-E390 WeakPolarHBondContact CB-OE1 3.09Å; K279-E390 VanDerWaalsContact CG-OE1 3.31Å; K279-E390 WeakPolarHBondContact CG-OE1 3.16Å; K279-E390 PolarHBondContact N-OE1 3.38Å; K279-E390 PolarHBondContact N-OE2 3.11Å; S280-E390 PolarHBondContact N-OE2 2.99Å; T283-E390 HydrophobicContact CG2-CB 4.42Å; T283-E390 PolarHBondContact OG1-OE2 3.41Å; P388-E390 PolarHBondContact O-N 3.29Å; E390-K392 PolarHBondContact O-N 3.06Å; E390-K392 VanDerWaalsContact O-N 3.11Å; E390-G393 PolarHBondContact O-N 3.13Å
391V84.6Confident89.3Confident2 Ų250.9 Ų50.91%0.01228%0.283CS..G310 helixtrans-66-14.7176.6-66.40000112.9I274 F276 P388 Y389 G393 F397 F464 F466I274-V391 HydrophobicContact CD1-CG1 3.95Å; F276-V391 HydrophobicContact CE1-CG1 4.5Å; P388-V391 HydrophobicContact CG-CG1 3.68Å; P388-V391 HydrophobicContact CG-CG2 4.2Å; P388-V391 WeakPolarHBondContact O-CG2 3.39Å; P388-V391 PolarHBondContact O-N 3.3Å; Y389-V391 VanDerWaalsContact C-N 3.34Å; Y389-V391 PolarHBondContact O-N 3.1Å; V391-G393 VanDerWaalsContact C-N 3.31Å; V391-F397 HydrophobicContact CG1-CE2 4.27Å; V391-F397 HydrophobicContact CG1-CZ 3.91Å; V391-F464 WeakPolarHBondContact CG2-O 3.28Å; V391-F466 HydrophobicContact CB-CD1 3.75Å; V391-F466 HydrophobicContact CB-CE1 3.54Å; V391-F466 HydrophobicContact CB-CE2 4.4Å; V391-F466 HydrophobicContact CB-CG 4.32Å; V391-F466 HydrophobicContact CB-CZ 3.89Å; V391-F466 HydrophobicContact CG1-CD1 4.42Å; V391-F466 HydrophobicContact CG1-CE1 3.75Å; V391-F466 HydrophobicContact CG1-CE2 4.23Å; V391-F466 HydrophobicContact CG1-CZ 3.63Å; V391-F466 WeakPolarHBondContact O-CD1 3.37Å
392K78.8Confident89.3Confident86 Ų8651.9 Ų51.937%0.37429%0.288SS..G310 helixtrans-84.5-6.8174.1-63.5176.8-177.5174.90113Y389 E390 G465 K467Y389-K392 WeakPolarHBondContact O-CB 3.46Å; Y389-K392 PolarHBondContact O-N 3.4Å; E390-K392 PolarHBondContact O-N 3.06Å; E390-K392 VanDerWaalsContact O-N 3.11Å; K392-G465 WeakPolarHBondContact CE-O 3.46Å; K392-G465 WeakPolarHBondContact CG-O 2.97Å; K392-K467 WeakPolarHBondContact O-CE 3.23Å; K392-K467 PolarHBondContact O-NZ 3.16Å
393G79.6Confident89.7Confident47 Ų4744.6 Ų44.649%0.48526%0.256SS..THydrogen-bonded Turntrans-86.8-158.3177.900000113.3E390 V391E390-G393 PolarHBondContact O-N 3.13Å; V391-G393 VanDerWaalsContact C-N 3.31Å
394S77.9Confident90.1Very high115 Ų11541.4 Ų41.480%0.80422%0.221SC*.THydrogen-bonded Turntrans-101.619.5-177.656.90000113.8
395S85.3Confident90.3Very high17 Ų1739.1 Ų39.112%0.11921%0.209CC..  trans-69136.8176.6-68.40000110.7K279 F397K279-S395 WeakPolarHBondContact CE-OG 3.42Å; K279-S395 PolarHBondContact NZ-OG 2.88Å; S395-F397 WeakPolarHBondContact O-CD2 3.16Å
396I90.2Very high90.4Very high82 Ų8239 Ų3942%0.42121%0.208SC..  trans-83.5133.4178.5-62.2172.7000108.4V262 G263 Y398 H473V262-I396 HydrophobicContact CG1-CB 4.06Å; V262-I396 HydrophobicContact CG1-CG2 4.02Å; G263-I396 PolarHBondContact N-O 3.2Å; I396-Y398 HydrophobicContact CG2-CE2 4.34Å; I396-H473 VanDerWaalsContact CG2-CD2 3.46Å; I396-H473 WeakPolarHBondContact CG2-CD2 3.16Å
397F95.8Very high90.5Very high1 Ų136.9 Ų36.90%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-121132.5175.6-77.2-97.4000111.1G263 L265 I274 F276 V391 S395 F466 L472 H473G263-F397 CarbonylContact O-C 3.26Å; G263-F397 WeakPolarHBondContact O-CA 3.42Å; L265-F397 HydrophobicContact CD2-CD1 4.23Å; L265-F397 HydrophobicContact CG-CD1 4.1Å; I274-F397 HydrophobicContact CD1-CE1 4.39Å; I274-F397 HydrophobicContact CG1-CE1 4.31Å; F276-F397 HydrophobicContact CB-CE1 4.03Å; F276-F397 HydrophobicContact CB-CZ 4.12Å; F276-F397 AromaticContact CD1-CE1 3.76Å; F276-F397 HydrophobicContact CD1-CE1 3.76Å; F276-F397 AromaticContact CD1-CZ 3.75Å; F276-F397 HydrophobicContact CD1-CZ 3.75Å; F276-F397 HydrophobicContact CE1-CZ 4.33Å; F276-F397 HydrophobicContact CG-CE1 4.12Å; F276-F397 AromaticContact CG-CZ 3.93Å; F276-F397 HydrophobicContact CG-CZ 3.93Å; V391-F397 HydrophobicContact CG1-CE2 4.27Å; V391-F397 HydrophobicContact CG1-CZ 3.91Å; S395-F397 WeakPolarHBondContact O-CD2 3.16Å; F397-F466 HydrophobicContact CD1-CZ 4.2Å; F397-F466 AromaticContact CD2-CE1 3.78Å; F397-F466 HydrophobicContact CD2-CE1 3.78Å; F397-F466 HydrophobicContact CD2-CZ 4.04Å; F397-F466 HydrophobicContact CE1-CZ 4.3Å; F397-F466 AromaticContact CE2-CE1 3.9Å; F397-F466 HydrophobicContact CE2-CE1 3.9Å; F397-F466 HydrophobicContact CE2-CZ 4.14Å; F397-F466 HydrophobicContact CG-CE1 4.23Å; F397-F466 HydrophobicContact CG-CZ 4.07Å; F397-F466 HydrophobicContact CZ-CE1 4.44Å; F397-F466 HydrophobicContact CZ-CZ 4.28Å; F397-L472 HydrophobicContact CB-CD2 3.86Å; F397-H473 PolarHBondContact O-N 3.33Å
398Y97.1Very high90.5Very high43 Ų4334.1 Ų34.117%0.16919%0.187CC..EExtended strand (participates in β ladder)trans-90.1125.6166.5-83.6-107.2000109.6V247 T251 V262 G263 I264 L265 I396 H473 A475 V478V247-Y398 HydrophobicContact CG1-CD1 4.28Å; V247-Y398 HydrophobicContact CG1-CD2 4Å; V247-Y398 HydrophobicContact CG1-CG 3.83Å; T251-Y398 HydrophobicContact CG2-CE2 4.34Å; V262-Y398 HydrophobicContact CB-CD2 4.1Å; V262-Y398 HydrophobicContact CB-CE2 4.38Å; V262-Y398 HydrophobicContact CG1-CD2 4.42Å; V262-Y398 HydrophobicContact CG1-CE2 4.21Å; V262-Y398 HydrophobicContact CG2-CD2 3.76Å; V262-Y398 HydrophobicContact CG2-CE2 4.1Å; G263-Y398 PolarHBondContact O-N 3.25Å; I264-Y398 CarbonylContact C-O 3.5Å; I264-Y398 VanDerWaalsContact CA-O 3.27Å; I264-Y398 WeakPolarHBondContact CA-O 2.92Å; L265-Y398 PolarHBondContact N-O 2.96Å; I396-Y398 HydrophobicContact CG2-CE2 4.34Å; Y398-H473 CarbonylContact C-O 3.56Å; Y398-H473 VanDerWaalsContact CA-O 3.23Å; Y398-H473 WeakPolarHBondContact CA-O 3.1Å; Y398-H473 HydrophobicContact CD1-CB 3.91Å; Y398-H473 HydrophobicContact CD2-CB 4.01Å; Y398-H473 HydrophobicContact CE1-CB 3.9Å; Y398-H473 HydrophobicContact CE2-CB 4.01Å; Y398-H473 HydrophobicContact CG-CB 3.96Å; Y398-A475 HydrophobicContact CD1-CB 3.85Å; Y398-A475 HydrophobicContact CE1-CB 4.33Å; Y398-V478 HydrophobicContact CD1-CG2 4.39Å; Y398-V478 HydrophobicContact CE1-CG2 4.06Å
399A97.7Very high90.8Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-117124.8177.400000110.3L265 Y403 H473 L474 A475L265-A399 HydrophobicContact CB-CB 3.99Å; L265-A399 HydrophobicContact CD1-CB 4.29Å; L265-A399 VanDerWaalsContact O-CA 3.31Å; L265-A399 WeakPolarHBondContact O-CA 3.31Å; A399-Y403 HydrophobicContact CB-CD2 3.9Å; A399-Y403 HydrophobicContact CB-CG 3.96Å; A399-H473 PolarHBondContact N-O 2.92Å; A399-L474 HydrophobicContact CB-CD2 3.82Å; A399-L474 VanDerWaalsContact O-CA 3.25Å; A399-L474 WeakPolarHBondContact O-CA 3.2Å; A399-A475 PolarHBondContact O-N 2.84Å; A399-A475 VanDerWaalsContact O-N 3.1Å
400F96.6Very high91.3Very high0 Ų030.5 Ų30.50%018%0.175CC..EExtended strand (participates in β ladder)trans-135.5-167.4-173.554.8-92.7000111.5A243 V247 I264 L265 D266 H402 Y403 A475 T483A243-F400 HydrophobicContact CB-CZ 3.9Å; V247-F400 HydrophobicContact CG2-CE1 4.24Å; I264-F400 HydrophobicContact CB-CE1 3.97Å; I264-F400 HydrophobicContact CG2-CE1 4.27Å; L265-F400 PolarHBondContact O-N 3.31Å; L265-F400 VanDerWaalsContact O-N 3.09Å; D266-F400 HydrophobicContact CB-CD2 4.36Å; D266-F400 HydrophobicContact CB-CE2 3.54Å; D266-F400 HydrophobicContact CB-CZ 3.6Å; D266-F400 WeakPolarHBondContact OD1-CE2 3.22Å; D266-F400 WeakPolarHBondContact OD2-CE2 3.49Å; F400-H402 PolarHBondContact O-N 2.95Å; F400-Y403 PolarHBondContact O-N 3.15Å; F400-A475 WeakPolarHBondContact CA-O 3.3Å; F400-A475 WeakPolarHBondContact CB-O 3.21Å; F400-T483 WeakPolarHBondContact CB-OG1 3.48Å; F400-T483 WeakPolarHBondContact CD2-O 3.43Å
401S95.4Very high91.7Very high38 Ų3832.5 Ų32.527%0.26620%0.199SC..EExtended strand (participates in β ladder)trans57-126.1-172-57.60000110.8D266 L267 Y403 Y404 D405D266-S401 WeakPolarHBondContact OD1-CB 3.41Å; D266-S401 PolarHBondContact OD1-OG 3.26Å; L267-S401 WeakPolarHBondContact O-CB 3.28Å; S401-Y403 VanDerWaalsContact C-N 3.26Å; S401-Y403 PolarHBondContact O-N 2.98Å; S401-Y404 PolarHBondContact O-N 3.37Å; S401-Y404 VanDerWaalsContact O-N 3.11Å; S401-D405 PolarHBondContact O-N 3.44Å
402H97Very high92.1Very high22 Ų2234.1 Ų34.110%0.10221%0.208CC..Hα-helixtrans-69.7-18.1-174.8-70.6-41.3000114.7L267 L314 F400 Y404 D405 R406L267-H402 HydrophobicContact CB-CB 4.31Å; L267-H402 HydrophobicContact CD2-CB 4.08Å; L267-H402 HydrophobicContact CG-CB 3.98Å; L267-H402 VanDerWaalsContact O-CB 3.24Å; L267-H402 WeakPolarHBondContact O-CB 3.21Å; L267-H402 PolarHBondContact O-CD2 3.19Å; L267-H402 PolarHBondContact O-N 3.15Å; L314-H402 HydrophobicContact CB-CB 4.11Å; L314-H402 HydrophobicContact CD2-CB 3.74Å; L314-H402 HydrophobicContact CG-CB 4.44Å; F400-H402 PolarHBondContact O-N 2.95Å; H402-Y404 VanDerWaalsContact C-N 3.34Å; H402-D405 IonicContact CE1-OD2 3.2Å; H402-D405 IonicContact CG-OD2 3.37Å; H402-D405 IonicContact ND1-OD2 3.82Å; H402-D405 PolarHBondContact ND1-OD2 3.37Å; H402-R406 WeakPolarHBondContact O-CB 2.99Å; H402-R406 VanDerWaalsContact O-CG 3.24Å; H402-R406 WeakPolarHBondContact O-CG 3.29Å; H402-R406 PolarHBondContact O-N 3.28Å; H402-R406 VanDerWaalsContact O-N 3.09Å
403Y97.8Very high92.6Very high0 Ų030.8 Ų30.80%020%0.195CC..Hα-helixtrans-58.9-49.1168.1-72.2-68.3000110.8L265 L267 A399 F400 S401 A407 I456 L459 L460L265-Y403 HydrophobicContact CB-CD2 4.27Å; L265-Y403 HydrophobicContact CB-CE2 3.73Å; L267-Y403 HydrophobicContact CB-CD2 3.47Å; L267-Y403 VanDerWaalsContact CB-CD2 3.47Å; L267-Y403 HydrophobicContact CB-CE2 3.37Å; L267-Y403 HydrophobicContact CB-CG 4.15Å; L267-Y403 HydrophobicContact CD2-CD1 4.26Å; L267-Y403 HydrophobicContact CD2-CD2 4.47Å; L267-Y403 HydrophobicContact CD2-CE1 4.14Å; L267-Y403 HydrophobicContact CD2-CE2 4.36Å; L267-Y403 HydrophobicContact CD2-CG 4.41Å; L267-Y403 HydrophobicContact CG-CE2 4.42Å; A399-Y403 HydrophobicContact CB-CD2 3.9Å; A399-Y403 HydrophobicContact CB-CG 3.96Å; F400-Y403 PolarHBondContact O-N 3.15Å; S401-Y403 VanDerWaalsContact C-N 3.26Å; S401-Y403 PolarHBondContact O-N 2.98Å; Y403-A407 WeakPolarHBondContact O-CB 3.23Å; Y403-A407 PolarHBondContact O-N 3.11Å; Y403-I456 HydrophobicContact CD1-CD1 4.4Å; Y403-I456 HydrophobicContact CD1-CG1 4.18Å; Y403-I456 HydrophobicContact CD1-CG2 3.75Å; Y403-I456 HydrophobicContact CE1-CG1 4.27Å; Y403-I456 HydrophobicContact CE1-CG2 3.84Å; Y403-L459 WeakPolarHBondContact OH-CD2 2.97Å; Y403-L460 HydrophobicContact CE1-CD1 4.24Å; Y403-L460 HydrophobicContact CE1-CD2 3.9Å; Y403-L460 HydrophobicContact CE1-CG 4.03Å
404Y95.5Very high92.5Very high9 Ų932.8 Ų32.84%0.03520%0.201CC..Hα-helixtrans-67.4-48177.9175.9-91.3000111.4S401 H402 R406 A407 V408 V413 S418 L474 K476S401-Y404 PolarHBondContact O-N 3.37Å; S401-Y404 VanDerWaalsContact O-N 3.11Å; H402-Y404 VanDerWaalsContact C-N 3.34Å; Y404-R406 VanDerWaalsContact C-N 3.3Å; Y404-R406 PolarHBondContact O-N 3.06Å; Y404-A407 WeakPolarHBondContact O-CB 3.36Å; Y404-A407 PolarHBondContact O-N 3.12Å; Y404-A407 VanDerWaalsContact O-N 3.11Å; Y404-V408 HydrophobicContact CD1-CG2 4.04Å; Y404-V408 HydrophobicContact CD2-CG2 4.35Å; Y404-V408 HydrophobicContact CE1-CG2 3.48Å; Y404-V408 VanDerWaalsContact CE1-CG2 3.48Å; Y404-V408 HydrophobicContact CE2-CG2 3.83Å; Y404-V408 HydrophobicContact CG-CG2 4.44Å; Y404-V408 PolarHBondContact O-N 2.83Å; Y404-V413 HydrophobicContact CE2-CG2 4.35Å; Y404-S418 PolarHBondContact OH-O 2.98Å; Y404-S418 VanDerWaalsContact OH-O 3.14Å; Y404-S418 PolarHBondContact OH-OG 3.37Å; Y404-L474 HydrophobicContact CD2-CB 4.17Å; Y404-K476 HydrophobicContact CD1-CB 3.82Å; Y404-K476 HydrophobicContact CD1-CD 4.12Å; Y404-K476 HydrophobicContact CD1-CG 4.31Å; Y404-K476 HydrophobicContact CD2-CB 4.22Å; Y404-K476 HydrophobicContact CE1-CB 3.48Å; Y404-K476 VanDerWaalsContact CE1-CB 3.48Å; Y404-K476 HydrophobicContact CE1-CD 4.09Å; Y404-K476 HydrophobicContact CE1-CG 3.88Å; Y404-K476 HydrophobicContact CE2-CB 3.91Å; Y404-K476 HydrophobicContact CG-CB 4.18Å
405D94.1Very high91.9Very high47 Ų4735.9 Ų35.925%0.25120%0.2SC..Hα-helixtrans-56.7-44.6-177.3-64.6-23.8000112.1S401 H402 V408 Q409S401-D405 PolarHBondContact O-N 3.44Å; H402-D405 IonicContact CE1-OD2 3.2Å; H402-D405 IonicContact CG-OD2 3.37Å; H402-D405 IonicContact ND1-OD2 3.82Å; H402-D405 PolarHBondContact ND1-OD2 3.37Å; D405-V408 PolarHBondContact O-N 3.45Å; D405-Q409 WeakPolarHBondContact O-CB 3.26Å; D405-Q409 VanDerWaalsContact O-CG 3.26Å; D405-Q409 WeakPolarHBondContact O-CG 3.36Å; D405-Q409 PolarHBondContact O-N 2.67Å
406R96.3Very high90.5Very high19 Ų1940.3 Ų40.37%0.07223%0.229CC..Hα-helixtrans-70.3-36.4179.4-66.6-5290.3124.75.9112.1L314 H402 Y404 T410 D452 M453 I456L314-R406 HydrophobicContact CD2-CG 4.17Å; H402-R406 WeakPolarHBondContact O-CB 2.99Å; H402-R406 VanDerWaalsContact O-CG 3.24Å; H402-R406 WeakPolarHBondContact O-CG 3.29Å; H402-R406 PolarHBondContact O-N 3.28Å; H402-R406 VanDerWaalsContact O-N 3.09Å; Y404-R406 VanDerWaalsContact C-N 3.3Å; Y404-R406 PolarHBondContact O-N 3.06Å; R406-T410 WeakPolarHBondContact O-CB 3.27Å; R406-T410 VanDerWaalsContact O-CG2 3.28Å; R406-T410 WeakPolarHBondContact O-CG2 2.91Å; R406-T410 PolarHBondContact O-N 3.1Å; R406-T410 VanDerWaalsContact O-N 3.11Å; R406-T410 PolarHBondContact O-OG1 3.37Å; R406-D452 WeakPolarHBondContact CD-OD2 3.01Å; R406-D452 HydrophobicContact CG-CB 4.12Å; R406-D452 IonicContact CZ-OD2 3.93Å; R406-D452 IonicContact NE-OD2 2.85Å; R406-D452 IonicContact NH1-OD2 2.82Å; R406-D452 PolarHBondContact NH1-OD2 3.34Å; R406-M453 HydrophobicContact CB-SD 3.69Å; R406-I456 HydrophobicContact CB-CD1 3.71Å; R406-I456 HydrophobicContact CG-CD1 3.63Å
407A95.4Very high88.7Confident0 Ų040.1 Ų40.10%025%0.247CC..Hα-helixtrans-63-43.9174.600000111.6Y403 Y404 T410 G411 L412 V413 F428 L474Y403-A407 WeakPolarHBondContact O-CB 3.23Å; Y403-A407 PolarHBondContact O-N 3.11Å; Y404-A407 WeakPolarHBondContact O-CB 3.36Å; Y404-A407 PolarHBondContact O-N 3.12Å; Y404-A407 VanDerWaalsContact O-N 3.11Å; A407-T410 PolarHBondContact O-N 3.32Å; A407-T410 PolarHBondContact O-OG1 2.85Å; A407-G411 PolarHBondContact O-N 3.05Å; A407-L412 HydrophobicContact CB-CB 4.08Å; A407-L412 HydrophobicContact CB-CD2 4.14Å; A407-L412 WeakPolarHBondContact O-CB 3.38Å; A407-L412 PolarHBondContact O-N 3.17Å; A407-V413 HydrophobicContact CB-CG1 4.47Å; A407-V413 HydrophobicContact CB-CG2 3.81Å; A407-V413 PolarHBondContact O-N 2.91Å; A407-F428 HydrophobicContact CB-CE1 4.27Å; A407-F428 HydrophobicContact CB-CZ 4.32Å; A407-L474 HydrophobicContact CB-CD1 3.22Å
408V93.1Very high87.1Confident24 Ų2441.6 Ų41.615%0.14526%0.258CS..Hα-helixtrans-64.7-49175.9173.40000111.5Y404 D405 T410 G411 V413 P416Y404-V408 HydrophobicContact CD1-CG2 4.04Å; Y404-V408 HydrophobicContact CD2-CG2 4.35Å; Y404-V408 HydrophobicContact CE1-CG2 3.48Å; Y404-V408 VanDerWaalsContact CE1-CG2 3.48Å; Y404-V408 HydrophobicContact CE2-CG2 3.83Å; Y404-V408 HydrophobicContact CG-CG2 4.44Å; Y404-V408 PolarHBondContact O-N 2.83Å; D405-V408 PolarHBondContact O-N 3.45Å; V408-T410 PolarHBondContact O-N 2.03Å; V408-T410 VanDerWaalsContact O-N 3.13Å; V408-G411 PolarHBondContact O-N 3.3Å; V408-V413 HydrophobicContact CG2-CG2 3.67Å; V408-P416 HydrophobicContact CG1-CB 4.47Å; V408-P416 HydrophobicContact CG1-CG 3.69Å
409Q92.8Very high85.8Confident68 Ų6844.5 Ų44.532%0.31828%0.275SS..Hα-helixtrans-60.2-26.6-178.7-78.8-177.9-14.100113.5D405 I445 L449D405-Q409 WeakPolarHBondContact O-CB 3.26Å; D405-Q409 VanDerWaalsContact O-CG 3.26Å; D405-Q409 WeakPolarHBondContact O-CG 3.36Å; D405-Q409 PolarHBondContact O-N 2.67Å; Q409-I445 HydrophobicContact CB-CG2 3.98Å; Q409-I445 HydrophobicContact CG-CG2 4.05Å; Q409-L449 HydrophobicContact CB-CD1 4.37Å
410T93.3Very high85Confident7 Ų745.7 Ų45.74%0.04329%0.288CS..THydrogen-bonded Turntrans-96-1.6178.558.20000113.5R406 A407 V408 L412 K431 V435 L449 M453R406-T410 WeakPolarHBondContact O-CB 3.27Å; R406-T410 VanDerWaalsContact O-CG2 3.28Å; R406-T410 WeakPolarHBondContact O-CG2 2.91Å; R406-T410 PolarHBondContact O-N 3.1Å; R406-T410 VanDerWaalsContact O-N 3.11Å; R406-T410 PolarHBondContact O-OG1 3.37Å; A407-T410 PolarHBondContact O-N 3.32Å; A407-T410 PolarHBondContact O-OG1 2.85Å; V408-T410 PolarHBondContact O-N 2.03Å; V408-T410 VanDerWaalsContact O-N 3.13Å; T410-L412 PolarHBondContact O-N 2.76Å; T410-K431 HydrophobicContact CG2-CG 4.18Å; T410-V435 HydrophobicContact CG2-CG2 3.77Å; T410-L449 HydrophobicContact CG2-CD1 3.99Å; T410-L449 HydrophobicContact CG2-CD2 3.7Å; T410-L449 HydrophobicContact CG2-CG 3.87Å; T410-M453 HydrophobicContact CG2-CE 4.16Å; T410-M453 HydrophobicContact CG2-CG 3.86Å; T410-M453 HydrophobicContact CG2-SD 3.78Å
411G91.8Very high84.7Confident55 Ų5546.7 Ų46.757%0.56730%0.298SS*.THydrogen-bonded Turntrans66.325-174.600000113.3A407 V408A407-G411 PolarHBondContact O-N 3.05Å; V408-G411 PolarHBondContact O-N 3.3Å
412L92.3Very high84.6Confident36 Ų3649.4 Ų49.419%0.18831%0.313CS..SBendtrans-73.2-31173.8-174.266.9000111.7A407 T410 V423 D427 F428 K431A407-L412 HydrophobicContact CB-CB 4.08Å; A407-L412 HydrophobicContact CB-CD2 4.14Å; A407-L412 WeakPolarHBondContact O-CB 3.38Å; A407-L412 PolarHBondContact O-N 3.17Å; T410-L412 PolarHBondContact O-N 2.76Å; L412-V423 HydrophobicContact CD2-CG1 4.24Å; L412-V423 HydrophobicContact CG-CG1 4.11Å; L412-D427 HydrophobicContact CD1-CB 3.72Å; L412-F428 HydrophobicContact CD2-CD1 3.91Å; L412-F428 HydrophobicContact CD2-CD2 4.33Å; L412-F428 HydrophobicContact CD2-CE1 3.93Å; L412-F428 HydrophobicContact CD2-CE2 4.37Å; L412-F428 HydrophobicContact CD2-CG 4.11Å; L412-F428 HydrophobicContact CD2-CZ 4.17Å; L412-K431 HydrophobicContact CD1-CB 4.32Å
413V89.8Confident84.5Confident16 Ų1648.7 Ų48.710%0.09731%0.31CS..SBendtrans-125.2161.7167-64.80000109.6Y404 A407 V408 V423 L474Y404-V413 HydrophobicContact CE2-CG2 4.35Å; A407-V413 HydrophobicContact CB-CG1 4.47Å; A407-V413 HydrophobicContact CB-CG2 3.81Å; A407-V413 PolarHBondContact O-N 2.91Å; V408-V413 HydrophobicContact CG2-CG2 3.67Å; V413-V423 HydrophobicContact CG1-CG1 3.63Å; V413-L474 HydrophobicContact CG1-CD1 3.86Å; V413-L474 HydrophobicContact CG2-CD1 4.49Å
414S78.5Confident84.4Confident90 Ų9051 Ų5163%0.62932%0.321SS*.PPolyproline II helixtrans-56.2162-177.5-61.90000113.2
415K65.1Low84.5Confident179 Ų17950.5 Ų50.578%0.77832%0.319SS*.PPolyproline II helixtrans-48.6158.5-170.4-76.4-174.9-177.9179.60114.7G417 S418K415-G417 PolarHBondContact O-N 3.28Å; K415-S418 PolarHBondContact O-N 3.45Å
416P54.4Low84.6Confident110 Ų11053 Ų5371%0.71433%0.325SS*.THydrogen-bonded Turntrans-47.8130.9174.1-22.529.5000111.7V408V408-P416 HydrophobicContact CG1-CB 4.47Å; V408-P416 HydrophobicContact CG1-CG 3.69Å
417G53.8Low84.7Confident79 Ų7953.8 Ų53.881%0.81433%0.331SS*.THydrogen-bonded Turntrans107.5-12.4-176.500000114.8K415K415-G417 PolarHBondContact O-N 3.28Å
418S60.8Low84.8Confident32 Ų3253.8 Ų53.822%0.22433%0.331CS..  trans-66.6143165.473.20000110.7Y404 K415 G420Y404-S418 PolarHBondContact OH-O 2.98Å; Y404-S418 VanDerWaalsContact OH-O 3.14Å; Y404-S418 PolarHBondContact OH-OG 3.37Å; K415-S418 PolarHBondContact O-N 3.45Å; S418-G420 PolarHBondContact O-N 3.23Å; S418-G420 PolarHBondContact OG-O 3.47Å
419L69.9Low85.1Confident103 Ų10355.7 Ų55.754%0.53934%0.337SS..SBendtrans-60.1-26177.3-68.8168.4000111.8K476 K477L419-K476 PolarHBondContact O-N 3.46Å; L419-K476 VanDerWaalsContact O-N 3.12Å; L419-K477 HydrophobicContact CD2-CB 4.02Å; L419-K477 PolarHBondContact O-N 3Å
420G80.7Confident85.3Confident25 Ų2558.2 Ų58.226%0.25835%0.347SS..EExtended strand (participates in β ladder)trans166.2-164.5-175.600000112.5S418 L474S418-G420 PolarHBondContact O-N 3.23Å; S418-G420 PolarHBondContact OG-O 3.47Å; G420-L474 CarbonylContact C-O 3.55Å; G420-L474 WeakPolarHBondContact CA-O 3.44Å
421G90.3Very high85.5Confident22 Ų2259.7 Ų59.723%0.22735%0.353CS..EExtended strand (participates in β ladder)trans-163.7163.5173.400000111.4H473 L474G421-H473 CarbonylContact O-C 3.51Å; G421-L474 PolarHBondContact N-O 2.76Å; G421-L474 WeakPolarHBondContact O-CA 3.44Å; G421-L474 PolarHBondContact O-N 3.48Å
422V93.4Very high85.9Confident94 Ų9457.1 Ų57.157%0.5733%0.326SS*.EExtended strand (participates in β ladder)trans-108.9128177.4-178.10000108.3V471V422-V471 HydrophobicContact CG1-CG1 3.31Å
423V95.3Very high86.1Confident8 Ų860 Ų605%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-135.8161.2-179.8-56.80000110.2L412 V413 F428 V471 L472 L474L412-V423 HydrophobicContact CD2-CG1 4.24Å; L412-V423 HydrophobicContact CG-CG1 4.11Å; V413-V423 HydrophobicContact CG1-CG1 3.63Å; V423-F428 HydrophobicContact CG2-CD2 4.29Å; V423-F428 HydrophobicContact CG2-CE2 3.69Å; V423-F428 HydrophobicContact CG2-CZ 4.45Å; V423-V471 WeakPolarHBondContact O-CA 3.43Å; V423-L472 HydrophobicContact CG2-CB 4.24Å; V423-L472 PolarHBondContact N-O 3.1Å; V423-L472 PolarHBondContact O-N 3.13Å; V423-L474 HydrophobicContact CG1-CD1 4.01Å; V423-L474 HydrophobicContact CG1-CG 4.37Å; V423-L474 HydrophobicContact CG2-CD1 3.92Å; V423-L474 HydrophobicContact CG2-CD2 4.07Å; V423-L474 HydrophobicContact CG2-CG 3.8Å
424E96.1Very high86.5Confident47 Ų4762 Ų6222%0.2235%0.345CS..EExtended strand (participates in β ladder)trans-101.5155.4166.3-64173.6134.800110.8R426 D427 T470 V471E424-R426 HydrophobicContact CB-CG 3.96Å; E424-R426 PolarHBondContact O-N 3.26Å; E424-R426 VanDerWaalsContact O-N 3.14Å; E424-R426 IonicContact OE1-CZ 3.43Å; E424-R426 IonicContact OE1-NE 3.35Å; E424-R426 IonicContact OE1-NH2 2.72Å; E424-R426 PolarHBondContact OE1-NH2 2.84Å; E424-R426 IonicContact OE2-CZ 3.75Å; E424-R426 IonicContact OE2-NE 3.88Å; E424-R426 PolarHBondContact OE2-NE 3.13Å; E424-R426 IonicContact OE2-NH2 2.8Å; E424-R426 PolarHBondContact OE2-NH2 3.35Å; E424-D427 PolarHBondContact N-OD2 2.66Å; E424-D427 WeakPolarHBondContact O-CB 3.27Å; E424-D427 PolarHBondContact O-N 2.79Å; E424-T470 WeakPolarHBondContact CA-O 3.26Å; E424-V471 HydrophobicContact CG-CG2 4.16Å
425V96.8Very high87.4Confident0 Ų057.7 Ų57.70%032%0.315CS..Hα-helixtrans-54.4-35.4176.7173.20000111.9D427 F428 L460 K461 F466 K467 T470 L472V425-D427 PolarHBondContact O-N 2.85Å; V425-F428 PolarHBondContact O-N 3.49Å; V425-L460 HydrophobicContact CG1-CB 4.03Å; V425-L460 HydrophobicContact CG1-CD1 4.48Å; V425-L460 HydrophobicContact CG2-CB 4.48Å; V425-L460 HydrophobicContact CG2-CD1 4.42Å; V425-K461 HydrophobicContact CG1-CD 4.22Å; V425-K461 HydrophobicContact CG1-CG 3.58Å; V425-F466 HydrophobicContact CG2-CB 3.93Å; V425-K467 WeakPolarHBondContact CB-O 3.1Å; V425-T470 PolarHBondContact N-O 3Å; V425-L472 HydrophobicContact CG2-CD1 3.98Å; V425-L472 HydrophobicContact CG2-CG 4.26Å
426R97.5Very high88.9Confident100 Ų10049.4 Ų49.438%0.37728%0.28SS..Hα-helixtrans-63.4-23.8175.763.2-175.9155.4-170.5-11.3114.2E424 K429 K430 D468E424-R426 HydrophobicContact CB-CG 3.96Å; E424-R426 PolarHBondContact O-N 3.26Å; E424-R426 VanDerWaalsContact O-N 3.14Å; E424-R426 IonicContact OE1-CZ 3.43Å; E424-R426 IonicContact OE1-NE 3.35Å; E424-R426 IonicContact OE1-NH2 2.72Å; E424-R426 PolarHBondContact OE1-NH2 2.84Å; E424-R426 IonicContact OE2-CZ 3.75Å; E424-R426 IonicContact OE2-NE 3.88Å; E424-R426 PolarHBondContact OE2-NE 3.13Å; E424-R426 IonicContact OE2-NH2 2.8Å; E424-R426 PolarHBondContact OE2-NH2 3.35Å; R426-K429 WeakPolarHBondContact O-CB 3.47Å; R426-K429 PolarHBondContact O-N 3.35Å; R426-K430 WeakPolarHBondContact O-CG 3.34Å; R426-K430 PolarHBondContact O-N 2.03Å; R426-D468 HydrophobicContact CB-CB 3.97Å; R426-D468 WeakPolarHBondContact CB-O 3.43Å; R426-D468 VanDerWaalsContact CG-O 3.28Å; R426-D468 WeakPolarHBondContact CG-O 3.26Å; R426-D468 PolarHBondContact N-O 2.98Å
427D97.9Very high90.7Very high35 Ų3550.2 Ų50.219%0.18728%0.278CS..Hα-helixtrans-75.5-35.1-178.9-58.6-38.6000111.6L412 E424 V425 K429 K430 K431L412-D427 HydrophobicContact CD1-CB 3.72Å; E424-D427 PolarHBondContact N-OD2 2.66Å; E424-D427 WeakPolarHBondContact O-CB 3.27Å; E424-D427 PolarHBondContact O-N 2.79Å; V425-D427 PolarHBondContact O-N 2.85Å; D427-K429 VanDerWaalsContact C-N 3.3Å; D427-K429 PolarHBondContact O-N 2.94Å; D427-K430 PolarHBondContact O-N 3.35Å; D427-K430 IonicContact OD1-NZ 3.68Å; D427-K430 PolarHBondContact OD1-NZ 2.9Å; D427-K431 WeakPolarHBondContact O-CB 3.46Å; D427-K431 PolarHBondContact O-N 3.48Å
428F98.3Very high92.6Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-57-44.9166.8-80.1-76000111.3A407 L412 V423 V425 K431 A432 M453 I456 T457 L460 L472 L474A407-F428 HydrophobicContact CB-CE1 4.27Å; A407-F428 HydrophobicContact CB-CZ 4.32Å; L412-F428 HydrophobicContact CD2-CD1 3.91Å; L412-F428 HydrophobicContact CD2-CD2 4.33Å; L412-F428 HydrophobicContact CD2-CE1 3.93Å; L412-F428 HydrophobicContact CD2-CE2 4.37Å; L412-F428 HydrophobicContact CD2-CG 4.11Å; L412-F428 HydrophobicContact CD2-CZ 4.17Å; V423-F428 HydrophobicContact CG2-CD2 4.29Å; V423-F428 HydrophobicContact CG2-CE2 3.69Å; V423-F428 HydrophobicContact CG2-CZ 4.45Å; V425-F428 PolarHBondContact O-N 3.49Å; F428-K431 PolarHBondContact O-N 3.14Å; F428-A432 VanDerWaalsContact O-CB 3.28Å; F428-A432 WeakPolarHBondContact O-CB 3.34Å; F428-A432 PolarHBondContact O-N 3.07Å; F428-M453 HydrophobicContact CD1-CE 3.65Å; F428-M453 HydrophobicContact CD1-SD 4.4Å; F428-M453 HydrophobicContact CE1-CE 4.3Å; F428-I456 HydrophobicContact CB-CG2 4.37Å; F428-I456 HydrophobicContact CD1-CB 4.46Å; F428-I456 HydrophobicContact CD1-CG2 3.47Å; F428-I456 VanDerWaalsContact CD1-CG2 3.47Å; F428-I456 HydrophobicContact CD2-CG2 4.32Å; F428-I456 HydrophobicContact CE1-CD1 4.5Å; F428-I456 HydrophobicContact CE1-CG2 3.72Å; F428-I456 HydrophobicContact CE2-CG2 4.5Å; F428-I456 HydrophobicContact CG-CG2 3.81Å; F428-I456 HydrophobicContact CZ-CG2 4.23Å; F428-T457 PolarHBondContact O-OG1 3.31Å; F428-L460 HydrophobicContact CD2-CD1 3.91Å; F428-L460 HydrophobicContact CE2-CD1 4.25Å; F428-L460 HydrophobicContact CG-CD1 4.44Å; F428-L472 HydrophobicContact CE2-CD1 4.44Å; F428-L474 HydrophobicContact CE2-CD1 4.45Å; F428-L474 HydrophobicContact CE2-CD2 4.23Å; F428-L474 HydrophobicContact CZ-CD1 3.92Å; F428-L474 HydrophobicContact CZ-CD2 4.07Å
429K98.1Very high94.1Very high63 Ų6350.4 Ų50.427%0.27425%0.253SS..Hα-helixtrans-62-47.1177.5-175.1-178.2-176.7-173.20112.5R426 D427 K431 A432 K433 T457R426-K429 WeakPolarHBondContact O-CB 3.47Å; R426-K429 PolarHBondContact O-N 3.35Å; D427-K429 VanDerWaalsContact C-N 3.3Å; D427-K429 PolarHBondContact O-N 2.94Å; K429-K431 VanDerWaalsContact C-N 3.32Å; K429-K431 PolarHBondContact O-N 3.35Å; K429-A432 PolarHBondContact O-N 2.88Å; K429-K433 WeakPolarHBondContact O-CG 3.38Å; K429-K433 PolarHBondContact O-N 3.02Å; K429-K433 VanDerWaalsContact O-N 3.12Å; K429-T457 HydrophobicContact CB-CG2 3.62Å; K429-T457 HydrophobicContact CG-CG2 3.93Å; K429-T457 PolarHBondContact N-OG1 2.53Å
430K98.3Very high94.8Very high122 Ų12251.5 Ų51.553%0.5326%0.264SS..Hα-helixtrans-59.1-46.4177.1-71.1171.2-166.21580110.2R426 D427 K433 E434R426-K430 WeakPolarHBondContact O-CG 3.34Å; R426-K430 PolarHBondContact O-N 2.03Å; D427-K430 PolarHBondContact O-N 3.35Å; D427-K430 IonicContact OD1-NZ 3.68Å; D427-K430 PolarHBondContact OD1-NZ 2.9Å; K430-K433 PolarHBondContact O-N 2.73Å; K430-E434 PolarHBondContact O-N 2.89Å; K430-E434 VanDerWaalsContact O-N 3.12Å
431K97.7Very high95.2Very high38 Ų3857.1 Ų57.117%0.16528%0.281CS..Hα-helixtrans-69.2-38.3-178.6-169.46063.1176.20112.5T410 L412 D427 F428 K429 K433 E434 V435 M453T410-K431 HydrophobicContact CG2-CG 4.18Å; L412-K431 HydrophobicContact CD1-CB 4.32Å; D427-K431 WeakPolarHBondContact O-CB 3.46Å; D427-K431 PolarHBondContact O-N 3.48Å; F428-K431 PolarHBondContact O-N 3.14Å; K429-K431 VanDerWaalsContact C-N 3.32Å; K429-K431 PolarHBondContact O-N 3.35Å; K431-K433 VanDerWaalsContact C-N 3.34Å; K431-K433 PolarHBondContact O-N 3.15Å; K431-E434 WeakPolarHBondContact CD-OE2 3.35Å; K431-E434 WeakPolarHBondContact CE-OE2 3.47Å; K431-E434 IonicContact NZ-OE2 3.62Å; K431-E434 PolarHBondContact NZ-OE2 3.29Å; K431-E434 WeakPolarHBondContact O-CB 3.34Å; K431-E434 PolarHBondContact O-N 3.4Å; K431-V435 HydrophobicContact CD-CG2 4.42Å; K431-V435 HydrophobicContact CG-CG2 4.36Å; K431-V435 WeakPolarHBondContact O-CG2 3.39Å; K431-V435 PolarHBondContact O-N 2.93Å; K431-M453 HydrophobicContact CB-CE 3.83Å; K431-M453 HydrophobicContact CG-CE 3.78Å
432A98.2Very high95.1Very high0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-57.9-46.2173.500000111.4Y370 F428 K429 E434 V435 C436 M453Y370-A432 HydrophobicContact CD2-CB 3.81Å; Y370-A432 HydrophobicContact CE2-CB 3.53Å; F428-A432 VanDerWaalsContact O-CB 3.28Å; F428-A432 WeakPolarHBondContact O-CB 3.34Å; F428-A432 PolarHBondContact O-N 3.07Å; K429-A432 PolarHBondContact O-N 2.88Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.35Å; A432-V435 PolarHBondContact O-N 3.48Å; A432-C436 VanDerWaalsContact O-CB 3.3Å; A432-C436 WeakPolarHBondContact O-CB 3.08Å; A432-C436 PolarHBondContact O-N 2.84Å; A432-C436 PolarHBondContact O-SG 3.14Å; A432-M453 HydrophobicContact CB-CB 3.66Å
433K98.2Very high94.6Very high96 Ų9657 Ų5742%0.41726%0.264SS..Hα-helixtrans-58.1-45.6174.3-72177.7175.4-168.90112.2Y370 K429 K430 K431 N437Y370-K433 HydrophobicContact CD1-CD 4.47Å; Y370-K433 HydrophobicContact CD1-CG 3.62Å; Y370-K433 HydrophobicContact CD2-CG 4.01Å; Y370-K433 HydrophobicContact CE1-CG 4Å; Y370-K433 HydrophobicContact CE2-CG 4.33Å; Y370-K433 HydrophobicContact CG-CB 4.43Å; Y370-K433 HydrophobicContact CG-CG 3.64Å; K429-K433 WeakPolarHBondContact O-CG 3.38Å; K429-K433 PolarHBondContact O-N 3.02Å; K429-K433 VanDerWaalsContact O-N 3.12Å; K430-K433 PolarHBondContact O-N 2.73Å; K431-K433 VanDerWaalsContact C-N 3.34Å; K431-K433 PolarHBondContact O-N 3.15Å; K433-N437 WeakPolarHBondContact O-CB 3.24Å; K433-N437 PolarHBondContact O-N 3.23Å; K433-N437 PolarHBondContact O-ND2 2.89Å
434E97Very high94.1Very high58 Ų5861.4 Ų61.427%0.27130%0.302SS..Hα-helixtrans-59.7-51.3177.6-174.5-172.917600111.8K430 K431 A432 C436 N437 K438K430-E434 PolarHBondContact O-N 2.89Å; K430-E434 VanDerWaalsContact O-N 3.12Å; K431-E434 WeakPolarHBondContact CD-OE2 3.35Å; K431-E434 WeakPolarHBondContact CE-OE2 3.47Å; K431-E434 IonicContact NZ-OE2 3.62Å; K431-E434 PolarHBondContact NZ-OE2 3.29Å; K431-E434 WeakPolarHBondContact O-CB 3.34Å; K431-E434 PolarHBondContact O-N 3.4Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.35Å; E434-C436 PolarHBondContact O-N 2.96Å; E434-N437 PolarHBondContact O-N 3.22Å; E434-K438 HydrophobicContact CG-CD 4.31Å; E434-K438 PolarHBondContact O-N 3.46Å; E434-K438 VanDerWaalsContact O-N 3.1Å; E434-K438 IonicContact OE1-NZ 3.79Å; E434-K438 PolarHBondContact OE1-NZ 3.3Å
435V96.9Very high93.7Very high1 Ų163.1 Ų63.11%0.00631%0.311CS..Hα-helixtrans-61.6-45.5-178.3171.10000110.9T410 K431 A432 N437 K438 M439 Y442 L449 C450T410-V435 HydrophobicContact CG2-CG2 3.77Å; K431-V435 HydrophobicContact CD-CG2 4.42Å; K431-V435 HydrophobicContact CG-CG2 4.36Å; K431-V435 WeakPolarHBondContact O-CG2 3.39Å; K431-V435 PolarHBondContact O-N 2.93Å; A432-V435 PolarHBondContact O-N 3.48Å; V435-N437 VanDerWaalsContact C-N 3.31Å; V435-N437 PolarHBondContact O-N 3.09Å; V435-K438 CarbonylContact O-C 3.52Å; V435-K438 VanDerWaalsContact O-C 3.26Å; V435-K438 PolarHBondContact O-N 3.29Å; V435-K438 VanDerWaalsContact O-N 3.14Å; V435-M439 WeakPolarHBondContact O-CA 3.49Å; V435-M439 PolarHBondContact O-N 3.19Å; V435-Y442 HydrophobicContact CB-CD2 4.22Å; V435-Y442 HydrophobicContact CB-CE2 4.35Å; V435-Y442 HydrophobicContact CG1-CD2 4.09Å; V435-Y442 HydrophobicContact CG1-CG 4.1Å; V435-Y442 HydrophobicContact CG2-CD1 4.37Å; V435-Y442 HydrophobicContact CG2-CD2 4.15Å; V435-Y442 HydrophobicContact CG2-CE1 4.18Å; V435-Y442 HydrophobicContact CG2-CE2 3.95Å; V435-Y442 HydrophobicContact CG2-CG 4.37Å; V435-L449 HydrophobicContact CG1-CB 3.9Å; V435-L449 HydrophobicContact CG1-CD2 4.1Å; V435-L449 HydrophobicContact CG1-CG 3.88Å; V435-L449 HydrophobicContact CG2-CD2 4.45Å; V435-C450 HydrophobicContact CG1-CB 4.28Å
436C96.6Very high93.5Very high5 Ų563.9 Ų63.93%0.03432%0.317CS..Hα-helixtrans-67.5-28.5179.8-64.90000113.5A432 E434 K438 M439 C450 T454A432-C436 VanDerWaalsContact O-CB 3.3Å; A432-C436 WeakPolarHBondContact O-CB 3.08Å; A432-C436 PolarHBondContact O-N 2.84Å; A432-C436 PolarHBondContact O-SG 3.14Å; E434-C436 PolarHBondContact O-N 2.96Å; C436-K438 VanDerWaalsContact C-N 3.35Å; C436-M439 HydrophobicContact CB-CE 4.15Å; C436-M439 WeakPolarHBondContact O-CG 3.08Å; C436-C450 VanDerWaalsContact CA-SG 3.57Å; C436-C450 HydrophobicContact CB-CB 3.93Å; C436-C450 WeakPolarHBondContact CB-SG 3.39Å; C436-C450 VanDerWaalsContact SG-CA 3.52Å; C436-C450 WeakPolarHBondContact SG-CB 3.26Å; C436-C450 CovalentContact SG-SG 2.03Å; C436-C450 PolarHBondContact SG-SG 3.28Å; C436-T454 PolarHBondContact SG-OG1 3.28Å
437N93.3Very high93.3Very high126 Ų12660.3 Ų60.367%0.67431%0.306SS*.Hα-helixtrans-79.5-20.6174.2-69.8-11.4000112.5K433 E434 V435K433-N437 WeakPolarHBondContact O-CB 3.24Å; K433-N437 PolarHBondContact O-N 3.23Å; K433-N437 PolarHBondContact O-ND2 2.89Å; E434-N437 PolarHBondContact O-N 3.22Å; V435-N437 VanDerWaalsContact C-N 3.31Å; V435-N437 PolarHBondContact O-N 3.09Å
438K93.1Very high93.2Very high98 Ų9859.3 Ų59.343%0.42630%0.3SS..THydrogen-bonded Turntrans-119.333.9-178.3-60.6178.1-1741690112.1E434 V435 C436 T440 K441 Y442E434-K438 HydrophobicContact CG-CD 4.31Å; E434-K438 PolarHBondContact O-N 3.46Å; E434-K438 VanDerWaalsContact O-N 3.1Å; E434-K438 IonicContact OE1-NZ 3.79Å; E434-K438 PolarHBondContact OE1-NZ 3.3Å; V435-K438 CarbonylContact O-C 3.52Å; V435-K438 VanDerWaalsContact O-C 3.26Å; V435-K438 PolarHBondContact O-N 3.29Å; V435-K438 VanDerWaalsContact O-N 3.14Å; C436-K438 VanDerWaalsContact C-N 3.35Å; K438-T440 PolarHBondContact O-N 2.94Å; K438-T440 VanDerWaalsContact O-N 3.07Å; K438-K441 HydrophobicContact CB-CB 4.31Å; K438-K441 WeakPolarHBondContact O-CB 3.23Å; K438-K441 PolarHBondContact O-N 3.04Å; K438-Y442 HydrophobicContact CB-CD2 4.11Å; K438-Y442 HydrophobicContact CB-CE2 4.06Å; K438-Y442 WeakPolarHBondContact O-CD2 3.47Å; K438-Y442 PolarHBondContact O-N 3.38Å
439M91.9Very high93.1Very high17 Ų1759.3 Ų59.38%0.08430%0.301CS..Hα-helixtrans-50.2-39.5-174.6-77.6173.2-176.800113.4C342 P344 A368 V435 C436 K441 Y442 R443 C450C342-M439 WeakPolarHBondContact O-CE 3.15Å; P344-M439 HydrophobicContact CB-CB 4.45Å; P344-M439 HydrophobicContact CG-CB 4.2Å; A368-M439 HydrophobicContact CB-CE 4.23Å; A368-M439 HydrophobicContact CB-SD 4.07Å; V435-M439 WeakPolarHBondContact O-CA 3.49Å; V435-M439 PolarHBondContact O-N 3.19Å; C436-M439 HydrophobicContact CB-CE 4.15Å; C436-M439 WeakPolarHBondContact O-CG 3.08Å; M439-K441 VanDerWaalsContact C-N 3.3Å; M439-K441 PolarHBondContact O-N 3.42Å; M439-Y442 PolarHBondContact O-N 3.1Å; M439-R443 PolarHBondContact O-N 3.45Å; M439-C450 HydrophobicContact CE-CB 3.63Å; M439-C450 WeakPolarHBondContact CE-SG 3.46Å; M439-C450 HydrophobicContact CG-CB 4.09Å
440T85.8Confident93.1Very high126 Ų12656.5 Ų56.577%0.77329%0.288SS*.Hα-helixtrans-61.2-37.7179.2-31.10000112.3K438K438-T440 PolarHBondContact O-N 2.94Å; K438-T440 VanDerWaalsContact O-N 3.07Å
441K88.5Confident93.1Very high143 Ų14350.8 Ų50.862%0.62226%0.264SS*.Hα-helixtrans-67.8-40.7176.3-179-175.8176.2-177.70111.5K438 M439 R443K438-K441 HydrophobicContact CB-CB 4.31Å; K438-K441 WeakPolarHBondContact O-CB 3.23Å; K438-K441 PolarHBondContact O-N 3.04Å; M439-K441 VanDerWaalsContact C-N 3.3Å; M439-K441 PolarHBondContact O-N 3.42Å; K441-R443 VanDerWaalsContact C-N 3.35Å
442Y87.8Confident93.1Very high19 Ų1949 Ų498%0.07526%0.256CS..Hα-helixtrans-84.1-8.6-176.3-72.6-79.4000113.9V435 K438 M439 A444 I445 S446 L449V435-Y442 HydrophobicContact CB-CD2 4.22Å; V435-Y442 HydrophobicContact CB-CE2 4.35Å; V435-Y442 HydrophobicContact CG1-CD2 4.09Å; V435-Y442 HydrophobicContact CG1-CG 4.1Å; V435-Y442 HydrophobicContact CG2-CD1 4.37Å; V435-Y442 HydrophobicContact CG2-CD2 4.15Å; V435-Y442 HydrophobicContact CG2-CE1 4.18Å; V435-Y442 HydrophobicContact CG2-CE2 3.95Å; V435-Y442 HydrophobicContact CG2-CG 4.37Å; K438-Y442 HydrophobicContact CB-CD2 4.11Å; K438-Y442 HydrophobicContact CB-CE2 4.06Å; K438-Y442 WeakPolarHBondContact O-CD2 3.47Å; K438-Y442 PolarHBondContact O-N 3.38Å; M439-Y442 PolarHBondContact O-N 3.1Å; Y442-A444 VanDerWaalsContact C-N 3.26Å; Y442-A444 PolarHBondContact O-N 3.17Å; Y442-I445 HydrophobicContact CD1-CD1 3.82Å; Y442-I445 HydrophobicContact CE1-CD1 4.32Å; Y442-I445 WeakPolarHBondContact O-CB 3.35Å; Y442-I445 PolarHBondContact O-N 3.08Å; Y442-S446 PolarHBondContact O-N 2.89Å; Y442-L449 HydrophobicContact CD1-CD2 3.53Å; Y442-L449 HydrophobicContact CE1-CD2 4.34Å; Y442-L449 HydrophobicContact CG-CD2 4.03Å
443R83.6Confident93.2Very high94 Ų9449 Ų4936%0.35526%0.256SS..THydrogen-bonded Turntrans-54.5-40.7179.8-175.7179.5177.6167.11.8112.7E349 M439 K441 I445 S446E349-R443 IonicContact OE1-NH2 2.73Å; M439-R443 PolarHBondContact O-N 3.45Å; K441-R443 VanDerWaalsContact C-N 3.35Å; R443-I445 PolarHBondContact O-N 3.37Å; R443-S446 PolarHBondContact O-N 2.92Å
444A85.4Confident93.2Very high102 Ų10244.4 Ų44.484%0.84324%0.236SC*.THydrogen-bonded Turntrans-64.9-22.9179.400000113.4Y442Y442-A444 VanDerWaalsContact C-N 3.26Å; Y442-A444 PolarHBondContact O-N 3.17Å
445I87.9Confident93.3Very high83 Ų8341.8 Ų41.843%0.42622%0.224SC..THydrogen-bonded Turntrans-86.2-52.8175-63.8162.5000109.7Q409 Y442 R443 L449Q409-I445 HydrophobicContact CB-CG2 3.98Å; Q409-I445 HydrophobicContact CG-CG2 4.05Å; Y442-I445 HydrophobicContact CD1-CD1 3.82Å; Y442-I445 HydrophobicContact CE1-CD1 4.32Å; Y442-I445 WeakPolarHBondContact O-CB 3.35Å; Y442-I445 PolarHBondContact O-N 3.08Å; R443-I445 PolarHBondContact O-N 3.37Å; I445-L449 HydrophobicContact CG2-CD2 4.3Å
446S92.1Very high93.4Very high16 Ų1641.8 Ų41.811%0.11222%0.224CC..  trans-166.5128.61741700000109.5Y442 R443 F448 L449Y442-S446 PolarHBondContact O-N 2.89Å; R443-S446 PolarHBondContact O-N 2.92Å; S446-F448 PolarHBondContact O-N 3.36Å; S446-F448 PolarHBondContact OG-N 3.37Å; S446-L449 WeakPolarHBondContact O-CB 3.44Å; S446-L449 PolarHBondContact O-N 3.36Å
447P92.9Very high93.4Very high25 Ų2541.5 Ų41.516%0.16222%0.222CC..THydrogen-bonded Turntrans-64.2-20.9174.426.3-33.5000112.9L343 Y347L343-P447 WeakPolarHBondContact CD2-O 3.47Å; Y347-P447 HydrophobicContact CD1-CB 4.37Å; Y347-P447 HydrophobicContact CD2-CB 3.49Å; Y347-P447 VanDerWaalsContact CD2-CB 3.49Å; Y347-P447 HydrophobicContact CD2-CG 4.11Å; Y347-P447 HydrophobicContact CE1-CB 4.15Å; Y347-P447 HydrophobicContact CE1-CG 4.39Å; Y347-P447 HydrophobicContact CE2-CB 3.22Å; Y347-P447 HydrophobicContact CE2-CG 3.31Å; Y347-P447 HydrophobicContact CG-CB 4.05Å; Y347-P447 VanDerWaalsContact CZ-CG 3.47Å; Y347-P447 WeakPolarHBondContact OH-CG 3.43Å
448F95.9Very high93.7Very high13 Ų1335.5 Ų35.56%0.05719%0.19CC..THydrogen-bonded Turntrans-88.5-0.3179.6-64.8-85.5000113.9R318 L322 L343 Y347 V351 V360 S446 C450 M451 D452R318-F448 HydrophobicContact CG-CD1 4.18Å; L322-F448 HydrophobicContact CD1-CE1 4.34Å; L343-F448 HydrophobicContact CD1-CE1 4.39Å; L343-F448 HydrophobicContact CD2-CD1 3.67Å; L343-F448 HydrophobicContact CD2-CE1 3.85Å; L343-F448 HydrophobicContact CD2-CG 4.25Å; Y347-F448 HydrophobicContact CE1-CZ 4.35Å; Y347-F448 WeakPolarHBondContact OH-CE2 3.23Å; V351-F448 HydrophobicContact CG1-CE2 3.93Å; V351-F448 HydrophobicContact CG1-CZ 3.81Å; V360-F448 HydrophobicContact CG2-CZ 4.1Å; S446-F448 PolarHBondContact O-N 3.36Å; S446-F448 PolarHBondContact OG-N 3.37Å; F448-C450 VanDerWaalsContact C-N 3.28Å; F448-C450 PolarHBondContact O-N 3.44Å; F448-M451 HydrophobicContact CD1-SD 4.19Å; F448-M451 WeakPolarHBondContact O-CA 3.28Å; F448-M451 VanDerWaalsContact O-CB 3.29Å; F448-M451 WeakPolarHBondContact O-CB 3.49Å; F448-M451 PolarHBondContact O-N 2.8Å; F448-D452 PolarHBondContact O-N 3.47Å
449L96.7Very high93.9Very high1 Ų130.9 Ų30.91%0.00517%0.17CC..Hα-helixtrans-62.5-33.3-167.8-161.462.2000113.5Q409 T410 V435 Y442 I445 S446 M453Q409-L449 HydrophobicContact CB-CD1 4.37Å; T410-L449 HydrophobicContact CG2-CD1 3.99Å; T410-L449 HydrophobicContact CG2-CD2 3.7Å; T410-L449 HydrophobicContact CG2-CG 3.87Å; V435-L449 HydrophobicContact CG1-CB 3.9Å; V435-L449 HydrophobicContact CG1-CD2 4.1Å; V435-L449 HydrophobicContact CG1-CG 3.88Å; V435-L449 HydrophobicContact CG2-CD2 4.45Å; Y442-L449 HydrophobicContact CD1-CD2 3.53Å; Y442-L449 HydrophobicContact CE1-CD2 4.34Å; Y442-L449 HydrophobicContact CG-CD2 4.03Å; I445-L449 HydrophobicContact CG2-CD2 4.3Å; S446-L449 WeakPolarHBondContact O-CB 3.44Å; S446-L449 PolarHBondContact O-N 3.36Å; L449-M453 HydrophobicContact CG-CG 4.46Å; L449-M453 WeakPolarHBondContact O-CB 3.14Å; L449-M453 VanDerWaalsContact O-CG 3.22Å; L449-M453 WeakPolarHBondContact O-CG 3.27Å; L449-M453 PolarHBondContact O-N 2.88Å
450C97.8Very high94.2Very high3 Ų330 Ų302%0.0217%0.166CC..Hα-helixtrans-63.4-47.4171.7168.70000111.5V435 C436 M439 F448 D452 T454V435-C450 HydrophobicContact CG1-CB 4.28Å; C436-C450 VanDerWaalsContact CA-SG 3.57Å; C436-C450 HydrophobicContact CB-CB 3.93Å; C436-C450 WeakPolarHBondContact CB-SG 3.39Å; C436-C450 VanDerWaalsContact SG-CA 3.52Å; C436-C450 WeakPolarHBondContact SG-CB 3.26Å; C436-C450 CovalentContact SG-SG 2.03Å; C436-C450 PolarHBondContact SG-SG 3.28Å; M439-C450 HydrophobicContact CE-CB 3.63Å; M439-C450 WeakPolarHBondContact CE-SG 3.46Å; M439-C450 HydrophobicContact CG-CB 4.09Å; F448-C450 VanDerWaalsContact C-N 3.28Å; F448-C450 PolarHBondContact O-N 3.44Å; C450-D452 PolarHBondContact O-N 3.03Å; C450-T454 WeakPolarHBondContact O-CB 3.39Å; C450-T454 PolarHBondContact O-N 2.72Å; C450-T454 PolarHBondContact O-OG1 3.07Å
451M98.1Very high94.7Very high2 Ų225.8 Ų25.81%0.0114%0.136CC..Hα-helixtrans-57.3-50.1177.1-166.6179-75.100110.8R318 T321 L322 S340 C342 L343 F448 M453 T454 Y455R318-M451 VanDerWaalsContact CA-SD 3.56Å; R318-M451 HydrophobicContact CB-SD 3.72Å; R318-M451 HydrophobicContact CG-SD 3.74Å; T321-M451 HydrophobicContact CG2-CE 4.16Å; T321-M451 HydrophobicContact CG2-CG 4.25Å; T321-M451 HydrophobicContact CG2-SD 4.24Å; L322-M451 HydrophobicContact CD2-CE 4.26Å; L322-M451 HydrophobicContact CG-CE 4.04Å; S340-M451 WeakPolarHBondContact OG-CE 3.19Å; C342-M451 HydrophobicContact CB-CB 3.65Å; C342-M451 HydrophobicContact CB-CE 3.54Å; C342-M451 HydrophobicContact CB-CG 3.89Å; L343-M451 HydrophobicContact CD2-CE 4.32Å; L343-M451 HydrophobicContact CG-CE 4.15Å; F448-M451 HydrophobicContact CD1-SD 4.19Å; F448-M451 WeakPolarHBondContact O-CA 3.28Å; F448-M451 VanDerWaalsContact O-CB 3.29Å; F448-M451 WeakPolarHBondContact O-CB 3.49Å; F448-M451 PolarHBondContact O-N 2.8Å; M451-M453 PolarHBondContact O-N 3Å; M451-T454 PolarHBondContact O-N 2.87Å; M451-Y455 WeakPolarHBondContact O-CB 3.38Å; M451-Y455 PolarHBondContact O-N 3.38Å
452D98.4Very high95Very high1 Ų122.4 Ų22.41%0.00512%0.123CC..Hα-helixtrans-59.9-49.6-177.7-68.1-9.6000112.3L314 R318 R406 F448 C450 T454 Y455 I456L314-D452 HydrophobicContact CD1-CB 3.9Å; L314-D452 HydrophobicContact CD2-CB 4.35Å; R318-D452 IonicContact CZ-OD1 3.75Å; R318-D452 IonicContact CZ-OD2 2.71Å; R318-D452 IonicContact NE-OD1 2.66Å; R318-D452 PolarHBondContact NE-OD1 2.99Å; R318-D452 IonicContact NE-OD2 2.74Å; R318-D452 VanDerWaalsContact NH2-CG 3.33Å; R318-D452 IonicContact NH2-OD1 2.65Å; R318-D452 PolarHBondContact NH2-OD1 2.78Å; R318-D452 IonicContact NH2-OD2 2.89Å; R318-D452 PolarHBondContact NH2-OD2 3.43Å; R406-D452 WeakPolarHBondContact CD-OD2 3.01Å; R406-D452 HydrophobicContact CG-CB 4.12Å; R406-D452 IonicContact CZ-OD2 3.93Å; R406-D452 IonicContact NE-OD2 2.85Å; R406-D452 IonicContact NH1-OD2 2.82Å; R406-D452 PolarHBondContact NH1-OD2 3.34Å; F448-D452 PolarHBondContact O-N 3.47Å; C450-D452 PolarHBondContact O-N 3.03Å; D452-T454 VanDerWaalsContact C-N 3.3Å; D452-T454 PolarHBondContact O-N 2.94Å; D452-Y455 PolarHBondContact O-N 3.42Å; D452-I456 WeakPolarHBondContact O-CG1 3.1Å; D452-I456 PolarHBondContact O-N 2.82Å
453M98.5Very high95.4Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-67.7-34.6-179.2-67.9-60.8-67.700111.8R406 T410 F428 K431 A432 L449 M451 T457R406-M453 HydrophobicContact CB-SD 3.69Å; T410-M453 HydrophobicContact CG2-CE 4.16Å; T410-M453 HydrophobicContact CG2-CG 3.86Å; T410-M453 HydrophobicContact CG2-SD 3.78Å; F428-M453 HydrophobicContact CD1-CE 3.65Å; F428-M453 HydrophobicContact CD1-SD 4.4Å; F428-M453 HydrophobicContact CE1-CE 4.3Å; K431-M453 HydrophobicContact CB-CE 3.83Å; K431-M453 HydrophobicContact CG-CE 3.78Å; A432-M453 HydrophobicContact CB-CB 3.66Å; L449-M453 HydrophobicContact CG-CG 4.46Å; L449-M453 WeakPolarHBondContact O-CB 3.14Å; L449-M453 VanDerWaalsContact O-CG 3.22Å; L449-M453 WeakPolarHBondContact O-CG 3.27Å; L449-M453 PolarHBondContact O-N 2.88Å; M451-M453 PolarHBondContact O-N 3Å; M453-T457 WeakPolarHBondContact O-CB 3.29Å; M453-T457 PolarHBondContact O-N 3.35Å; M453-T457 PolarHBondContact O-OG1 3.31Å
454T98.7Very high96Very high0 Ų017 Ų170%010%0.102CC..Hα-helixtrans-68.4-42174.7-57.50000110.8Y370 C373 Y374 V377 C436 C450 M451 D452 T457 C458Y370-T454 HydrophobicContact CD2-CG2 4.4Å; Y370-T454 HydrophobicContact CE2-CG2 4.12Å; C373-T454 HydrophobicContact CB-CG2 4.31Å; Y374-T454 VanDerWaalsContact CA-CG2 3.43Å; Y374-T454 HydrophobicContact CD2-CG2 3.71Å; Y374-T454 HydrophobicContact CG-CG2 4.21Å; V377-T454 HydrophobicContact CB-CG2 4.24Å; V377-T454 HydrophobicContact CG1-CG2 4.5Å; V377-T454 HydrophobicContact CG2-CG2 4.02Å; C436-T454 PolarHBondContact SG-OG1 3.28Å; C450-T454 WeakPolarHBondContact O-CB 3.39Å; C450-T454 PolarHBondContact O-N 2.72Å; C450-T454 PolarHBondContact O-OG1 3.07Å; M451-T454 PolarHBondContact O-N 2.87Å; D452-T454 VanDerWaalsContact C-N 3.3Å; D452-T454 PolarHBondContact O-N 2.94Å; T454-T457 PolarHBondContact O-N 2.99Å; T454-C458 WeakPolarHBondContact O-CB 3.46Å; T454-C458 PolarHBondContact O-N 2.94Å
455Y98.8Very high96.5Very high3 Ų312.5 Ų12.51%0.0127%0.065CC..Hα-helixtrans-60.7-52.4174.5-180-105.6000111.7L267 N312 L314 A317 V377 V380 V381 M451 D452 T457 C458 L459L267-Y455 HydrophobicContact CD1-CE1 4.19Å; N312-Y455 PolarHBondContact O-OH 2.62Å; L314-Y455 HydrophobicContact CD1-CD1 4.04Å; A317-Y455 HydrophobicContact CB-CD1 3.91Å; A317-Y455 HydrophobicContact CB-CD2 3.65Å; A317-Y455 HydrophobicContact CB-CE1 3.62Å; A317-Y455 HydrophobicContact CB-CE2 3.37Å; A317-Y455 HydrophobicContact CB-CG 3.92Å; V377-Y455 HydrophobicContact CG1-CD2 4.09Å; V380-Y455 HydrophobicContact CG1-CE2 4.45Å; V381-Y455 HydrophobicContact CG2-CD2 4.07Å; V381-Y455 HydrophobicContact CG2-CE2 3.7Å; M451-Y455 WeakPolarHBondContact O-CB 3.38Å; M451-Y455 PolarHBondContact O-N 3.38Å; D452-Y455 PolarHBondContact O-N 3.42Å; Y455-T457 VanDerWaalsContact C-N 3.27Å; Y455-T457 PolarHBondContact O-N 3.21Å; Y455-C458 PolarHBondContact O-N 3.49Å; Y455-C458 VanDerWaalsContact O-N 3.1Å; Y455-L459 HydrophobicContact CE1-CB 4.43Å; Y455-L459 HydrophobicContact CE1-CD2 3.78Å; Y455-L459 VanDerWaalsContact O-CB 3.26Å; Y455-L459 WeakPolarHBondContact O-CB 3.48Å; Y455-L459 PolarHBondContact O-N 3.18Å
456I98.8Very high96.8Very high0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-55.3-45176.4-73.5168000111L267 Y403 R406 F428 D452 C458 L459 L460L267-I456 HydrophobicContact CD2-CD1 4.14Å; L267-I456 HydrophobicContact CD2-CG1 3.7Å; Y403-I456 HydrophobicContact CD1-CD1 4.4Å; Y403-I456 HydrophobicContact CD1-CG1 4.18Å; Y403-I456 HydrophobicContact CD1-CG2 3.75Å; Y403-I456 HydrophobicContact CE1-CG1 4.27Å; Y403-I456 HydrophobicContact CE1-CG2 3.84Å; R406-I456 HydrophobicContact CB-CD1 3.71Å; R406-I456 HydrophobicContact CG-CD1 3.63Å; F428-I456 HydrophobicContact CB-CG2 4.37Å; F428-I456 HydrophobicContact CD1-CB 4.46Å; F428-I456 HydrophobicContact CD1-CG2 3.47Å; F428-I456 VanDerWaalsContact CD1-CG2 3.47Å; F428-I456 HydrophobicContact CD2-CG2 4.32Å; F428-I456 HydrophobicContact CE1-CD1 4.5Å; F428-I456 HydrophobicContact CE1-CG2 3.72Å; F428-I456 HydrophobicContact CE2-CG2 4.5Å; F428-I456 HydrophobicContact CG-CG2 3.81Å; F428-I456 HydrophobicContact CZ-CG2 4.23Å; D452-I456 WeakPolarHBondContact O-CG1 3.1Å; D452-I456 PolarHBondContact O-N 2.82Å; I456-C458 PolarHBondContact O-N 3.25Å; I456-L459 PolarHBondContact O-N 3.43Å; I456-L460 HydrophobicContact CG2-CD1 3.81Å; I456-L460 HydrophobicContact CG2-CG 4.45Å; I456-L460 WeakPolarHBondContact O-CB 3.18Å; I456-L460 VanDerWaalsContact O-CG 3.28Å; I456-L460 WeakPolarHBondContact O-CG 3.33Å; I456-L460 PolarHBondContact O-N 3.09Å
457T98.4Very high97Very high0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-61-45.8177.7-59.70000111.8Y374 F428 K429 M453 T454 Y455 K461Y374-T457 HydrophobicContact CE2-CG2 4.33Å; F428-T457 PolarHBondContact O-OG1 3.31Å; K429-T457 HydrophobicContact CB-CG2 3.62Å; K429-T457 HydrophobicContact CG-CG2 3.93Å; K429-T457 PolarHBondContact N-OG1 2.53Å; M453-T457 WeakPolarHBondContact O-CB 3.29Å; M453-T457 PolarHBondContact O-N 3.35Å; M453-T457 PolarHBondContact O-OG1 3.31Å; T454-T457 PolarHBondContact O-N 2.99Å; Y455-T457 VanDerWaalsContact C-N 3.27Å; Y455-T457 PolarHBondContact O-N 3.21Å; T457-K461 HydrophobicContact CG2-CD 4.29Å; T457-K461 WeakPolarHBondContact O-CB 3.44Å; T457-K461 WeakPolarHBondContact O-CG 3.36Å; T457-K461 PolarHBondContact O-N 3.12Å
458C98.3Very high97.1Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-69.1-42.7-179.9-168.80000111.6Y374 V377 V381 T454 Y455 I456 K461 E462 G463Y374-C458 HydrophobicContact CD2-CB 4.29Å; Y374-C458 HydrophobicContact CE2-CB 3.72Å; V377-C458 HydrophobicContact CG1-CB 3.45Å; V377-C458 VanDerWaalsContact CG1-CB 3.45Å; V381-C458 HydrophobicContact CG2-CB 4.22Å; T454-C458 WeakPolarHBondContact O-CB 3.46Å; T454-C458 PolarHBondContact O-N 2.94Å; Y455-C458 PolarHBondContact O-N 3.49Å; Y455-C458 VanDerWaalsContact O-N 3.1Å; I456-C458 PolarHBondContact O-N 3.25Å; C458-K461 PolarHBondContact O-N 3.24Å; C458-E462 WeakPolarHBondContact O-CA 3.4Å; C458-E462 VanDerWaalsContact O-CB 3.32Å; C458-E462 WeakPolarHBondContact O-CB 3.45Å; C458-E462 PolarHBondContact O-N 3.41Å; C458-G463 PolarHBondContact O-N 2.99Å; C458-G463 VanDerWaalsContact O-N 3.12Å
459L98.4Very high97Very high0 Ų017.3 Ų17.30%09%0.09CC..Iπ-helixtrans-58.8-49.7177.5176.858.6000111.7L267 T272 F385 Y403 Y455 I456 K461 G463 F464L267-L459 HydrophobicContact CD1-CD2 4.19Å; T272-L459 HydrophobicContact CG2-CD1 4.46Å; T272-L459 HydrophobicContact CG2-CD2 4.13Å; F385-L459 HydrophobicContact CD1-CD1 3.7Å; F385-L459 HydrophobicContact CE1-CD1 3.2Å; F385-L459 HydrophobicContact CE2-CD1 4.19Å; F385-L459 HydrophobicContact CG-CD1 4.37Å; F385-L459 HydrophobicContact CZ-CD1 3.46Å; F385-L459 VanDerWaalsContact CZ-CD1 3.46Å; Y403-L459 WeakPolarHBondContact OH-CD2 2.97Å; Y455-L459 HydrophobicContact CE1-CB 4.43Å; Y455-L459 HydrophobicContact CE1-CD2 3.78Å; Y455-L459 VanDerWaalsContact O-CB 3.26Å; Y455-L459 WeakPolarHBondContact O-CB 3.48Å; Y455-L459 PolarHBondContact O-N 3.18Å; I456-L459 PolarHBondContact O-N 3.43Å; L459-K461 PolarHBondContact O-N 2.8Å; L459-G463 CarbonylContact O-C 3.38Å; L459-G463 WeakPolarHBondContact O-CA 3.43Å; L459-G463 PolarHBondContact O-N 2.81Å; L459-G463 VanDerWaalsContact O-N 3.13Å; L459-F464 HydrophobicContact CD1-CD2 4.41Å; L459-F464 HydrophobicContact CD1-CE1 4.21Å; L459-F464 HydrophobicContact CD1-CE2 3.95Å; L459-F464 HydrophobicContact CD1-CZ 3.83Å; L459-F464 HydrophobicContact CD2-CE2 4.28Å; L459-F464 HydrophobicContact CG-CD2 4.31Å; L459-F464 HydrophobicContact CG-CE2 3.86Å; L459-F464 HydrophobicContact CG-CZ 4.21Å; L459-F464 PolarHBondContact O-N 3.47Å
460L97.7Very high96.9Very high0 Ų017.9 Ų17.90%09%0.094CC..Iπ-helixtrans-63-44179.6-69.3170.2000111.8L265 Y403 V425 F428 I456 F464 G465 F466 L472L265-L460 HydrophobicContact CD1-CD2 3.73Å; Y403-L460 HydrophobicContact CE1-CD1 4.24Å; Y403-L460 HydrophobicContact CE1-CD2 3.9Å; Y403-L460 HydrophobicContact CE1-CG 4.03Å; V425-L460 HydrophobicContact CG1-CB 4.03Å; V425-L460 HydrophobicContact CG1-CD1 4.48Å; V425-L460 HydrophobicContact CG2-CB 4.48Å; V425-L460 HydrophobicContact CG2-CD1 4.42Å; F428-L460 HydrophobicContact CD2-CD1 3.91Å; F428-L460 HydrophobicContact CE2-CD1 4.25Å; F428-L460 HydrophobicContact CG-CD1 4.44Å; I456-L460 HydrophobicContact CG2-CD1 3.81Å; I456-L460 HydrophobicContact CG2-CG 4.45Å; I456-L460 WeakPolarHBondContact O-CB 3.18Å; I456-L460 VanDerWaalsContact O-CG 3.28Å; I456-L460 WeakPolarHBondContact O-CG 3.33Å; I456-L460 PolarHBondContact O-N 3.09Å; L460-F464 HydrophobicContact CD2-CD2 4.43Å; L460-G465 PolarHBondContact O-N 2.75Å; L460-F466 HydrophobicContact CB-CD2 4.47Å; L460-F466 HydrophobicContact CD2-CD2 4.05Å; L460-F466 HydrophobicContact CD2-CE2 4.28Å; L460-F466 WeakPolarHBondContact O-CB 3.28Å; L460-F466 WeakPolarHBondContact O-CD2 3.14Å; L460-F466 PolarHBondContact O-N 3.26Å; L460-L472 HydrophobicContact CD1-CD1 3.85Å; L460-L472 HydrophobicContact CD2-CD1 3.91Å
461K95.6Very high96.7Very high36 Ų3620.7 Ų20.716%0.15711%0.11CC..Iπ-helixtrans-85.2-54.2-172.5-68.4-169.463.6162.70114.1V425 T457 C458 L459 G465 D468V425-K461 HydrophobicContact CG1-CD 4.22Å; V425-K461 HydrophobicContact CG1-CG 3.58Å; T457-K461 HydrophobicContact CG2-CD 4.29Å; T457-K461 WeakPolarHBondContact O-CB 3.44Å; T457-K461 WeakPolarHBondContact O-CG 3.36Å; T457-K461 PolarHBondContact O-N 3.12Å; C458-K461 PolarHBondContact O-N 3.24Å; L459-K461 PolarHBondContact O-N 2.8Å; K461-G465 WeakPolarHBondContact O-CA 3.11Å; K461-G465 PolarHBondContact O-N 3.01Å; K461-D468 WeakPolarHBondContact CD-OD1 3.32Å; K461-D468 WeakPolarHBondContact CE-OD1 3.39Å; K461-D468 IonicContact NZ-OD1 2.72Å; K461-D468 PolarHBondContact NZ-OD1 3.44Å; K461-D468 IonicContact NZ-OD2 3Å; K461-D468 PolarHBondContact NZ-OD2 2.76Å
462E95.9Very high96.6Very high72 Ų7220.6 Ų20.634%0.33611%0.11SC..Iπ-helixtrans-93.9-30-171.4-47.4-61.3151.300111Y374 M378 V381 Q387 C458Y374-E462 VanDerWaalsContact OH-CG 3.23Å; Y374-E462 WeakPolarHBondContact OH-CG 3.41Å; Y374-E462 PolarHBondContact OH-OE1 2.85Å; Y374-E462 VanDerWaalsContact OH-OE1 3.09Å; M378-E462 HydrophobicContact CE-CB 4.5Å; M378-E462 HydrophobicContact CE-CG 3.7Å; M378-E462 HydrophobicContact SD-CB 4.09Å; M378-E462 HydrophobicContact SD-CG 3.93Å; V381-E462 HydrophobicContact CG1-CB 4.28Å; Q387-E462 PolarHBondContact NE2-O 3.48Å; C458-E462 WeakPolarHBondContact O-CA 3.4Å; C458-E462 VanDerWaalsContact O-CB 3.32Å; C458-E462 WeakPolarHBondContact O-CB 3.45Å; C458-E462 PolarHBondContact O-N 3.41Å
463G96.4Very high96.5Very high0 Ų022.9 Ų22.90%012%0.121CC..Iπ-helixtrans-75.8-67.3175.600000111.4V381 F385 Q387 C458 L459V381-G463 VanDerWaalsContact CG1-CA 3.47Å; F385-G463 VanDerWaalsContact CB-O 3.24Å; F385-G463 WeakPolarHBondContact CB-O 3.43Å; Q387-G463 WeakPolarHBondContact CG-O 3.02Å; C458-G463 PolarHBondContact O-N 2.99Å; C458-G463 VanDerWaalsContact O-N 3.12Å; L459-G463 CarbonylContact O-C 3.38Å; L459-G463 WeakPolarHBondContact O-CA 3.43Å; L459-G463 PolarHBondContact O-N 2.81Å; L459-G463 VanDerWaalsContact O-N 3.13Å
464F95.8Very high96.3Very high0 Ų023 Ų230%012%0.121CC..SBendtrans-86.3-21.5-176.4-60.5-38.1000114.4L265 T272 I274 Y309 F385 Q387 V391 L459 L460 F466L265-F464 HydrophobicContact CD2-CD2 4.17Å; L265-F464 HydrophobicContact CD2-CE2 3.98Å; T272-F464 HydrophobicContact CG2-CZ 4.28Å; I274-F464 HydrophobicContact CB-CE1 4.25Å; I274-F464 HydrophobicContact CB-CZ 4.27Å; I274-F464 HydrophobicContact CD1-CD1 4.27Å; I274-F464 HydrophobicContact CD1-CG 4.26Å; I274-F464 HydrophobicContact CG2-CD1 4.26Å; I274-F464 HydrophobicContact CG2-CE1 3.79Å; I274-F464 HydrophobicContact CG2-CZ 4.23Å; Y309-F464 HydrophobicContact CD2-CE1 4.03Å; Y309-F464 HydrophobicContact CE2-CD1 4.44Å; Y309-F464 AromaticContact CE2-CE1 3.57Å; Y309-F464 HydrophobicContact CE2-CE1 3.57Å; Y309-F464 HydrophobicContact CE2-CZ 4.43Å; F385-F464 HydrophobicContact CD1-CD1 4.25Å; F385-F464 AromaticContact CD1-CE1 3.75Å; F385-F464 HydrophobicContact CD1-CE1 3.75Å; F385-F464 HydrophobicContact CD1-CZ 4.46Å; F385-F464 HydrophobicContact CE1-CE1 4.23Å; Q387-F464 WeakPolarHBondContact CA-O 3.47Å; V391-F464 WeakPolarHBondContact CG2-O 3.28Å; L459-F464 HydrophobicContact CD1-CD2 4.41Å; L459-F464 HydrophobicContact CD1-CE1 4.21Å; L459-F464 HydrophobicContact CD1-CE2 3.95Å; L459-F464 HydrophobicContact CD1-CZ 3.83Å; L459-F464 HydrophobicContact CD2-CE2 4.28Å; L459-F464 HydrophobicContact CG-CD2 4.31Å; L459-F464 HydrophobicContact CG-CE2 3.86Å; L459-F464 HydrophobicContact CG-CZ 4.21Å; L459-F464 PolarHBondContact O-N 3.47Å; L460-F464 HydrophobicContact CD2-CD2 4.43Å; F464-F466 HydrophobicContact CB-CD2 3.67Å; F464-F466 HydrophobicContact CB-CE2 3.7Å; F464-F466 HydrophobicContact CD2-CD2 4.29Å; F464-F466 AromaticContact CD2-CE2 3.92Å; F464-F466 HydrophobicContact CD2-CE2 3.92Å; F464-F466 HydrophobicContact CG-CD2 4.48Å; F464-F466 HydrophobicContact CG-CE2 4.19Å
465G94.8Very high96Very high7 Ų723.2 Ų23.27%0.07212%0.123CC..  trans87.419.4177.700000114.8K392 L460 K461K392-G465 WeakPolarHBondContact CE-O 3.46Å; K392-G465 WeakPolarHBondContact CG-O 2.97Å; L460-G465 PolarHBondContact O-N 2.75Å; K461-G465 WeakPolarHBondContact O-CA 3.11Å; K461-G465 PolarHBondContact O-N 3.01Å
466F95.7Very high95.6Very high6 Ų626 Ų263%0.02614%0.135CC..  trans-65.4146.9175.7-72.6-77.2000111.7L265 V391 F397 V425 L460 F464 T470L265-F466 HydrophobicContact CD1-CE2 3.81Å; L265-F466 HydrophobicContact CD1-CZ 3.99Å; L265-F466 HydrophobicContact CD2-CE2 4.12Å; L265-F466 HydrophobicContact CD2-CZ 4.26Å; V391-F466 HydrophobicContact CB-CD1 3.75Å; V391-F466 HydrophobicContact CB-CE1 3.54Å; V391-F466 HydrophobicContact CB-CE2 4.4Å; V391-F466 HydrophobicContact CB-CG 4.32Å; V391-F466 HydrophobicContact CB-CZ 3.89Å; V391-F466 HydrophobicContact CG1-CD1 4.42Å; V391-F466 HydrophobicContact CG1-CE1 3.75Å; V391-F466 HydrophobicContact CG1-CE2 4.23Å; V391-F466 HydrophobicContact CG1-CZ 3.63Å; V391-F466 WeakPolarHBondContact O-CD1 3.37Å; F397-F466 HydrophobicContact CD1-CZ 4.2Å; F397-F466 AromaticContact CD2-CE1 3.78Å; F397-F466 HydrophobicContact CD2-CE1 3.78Å; F397-F466 HydrophobicContact CD2-CZ 4.04Å; F397-F466 HydrophobicContact CE1-CZ 4.3Å; F397-F466 AromaticContact CE2-CE1 3.9Å; F397-F466 HydrophobicContact CE2-CE1 3.9Å; F397-F466 HydrophobicContact CE2-CZ 4.14Å; F397-F466 HydrophobicContact CG-CE1 4.23Å; F397-F466 HydrophobicContact CG-CZ 4.07Å; F397-F466 HydrophobicContact CZ-CE1 4.44Å; F397-F466 HydrophobicContact CZ-CZ 4.28Å; V425-F466 HydrophobicContact CG2-CB 3.93Å; L460-F466 HydrophobicContact CB-CD2 4.47Å; L460-F466 HydrophobicContact CD2-CD2 4.05Å; L460-F466 HydrophobicContact CD2-CE2 4.28Å; L460-F466 WeakPolarHBondContact O-CB 3.28Å; L460-F466 WeakPolarHBondContact O-CD2 3.14Å; L460-F466 PolarHBondContact O-N 3.26Å; F464-F466 HydrophobicContact CB-CD2 3.67Å; F464-F466 HydrophobicContact CB-CE2 3.7Å; F464-F466 HydrophobicContact CD2-CD2 4.29Å; F464-F466 AromaticContact CD2-CE2 3.92Å; F464-F466 HydrophobicContact CD2-CE2 3.92Å; F464-F466 HydrophobicContact CG-CD2 4.48Å; F464-F466 HydrophobicContact CG-CE2 4.19Å; F466-T470 HydrophobicContact CD1-CG2 3.36Å; F466-T470 HydrophobicContact CE1-CG2 3.87Å; F466-T470 HydrophobicContact CG-CG2 4.29Å
467K95.1Very high95.2Very high107 Ų10728.5 Ų28.547%0.46515%0.146SC..  trans-78.5155.6174.5-69.1172.3177163.30109.9K392 V425 S469 T470K392-K467 WeakPolarHBondContact O-CE 3.23Å; K392-K467 PolarHBondContact O-NZ 3.16Å; V425-K467 WeakPolarHBondContact CB-O 3.1Å; K467-S469 PolarHBondContact O-N 2.58Å; K467-S469 VanDerWaalsContact O-N 3.15Å; K467-T470 PolarHBondContact N-OG1 3.15Å; K467-T470 VanDerWaalsContact N-OG1 3.15Å; K467-T470 WeakPolarHBondContact O-CB 3.14Å; K467-T470 PolarHBondContact O-N 3.29Å; K467-T470 PolarHBondContact O-OG1 3.13Å
468D95.2Very high94.8Very high58 Ų5829.3 Ų29.331%0.3115%0.151SC..THydrogen-bonded Turntrans-57.2-30.3175.4-87.9-19.6000112.7R426 K461R426-D468 HydrophobicContact CB-CB 3.97Å; R426-D468 WeakPolarHBondContact CB-O 3.43Å; R426-D468 VanDerWaalsContact CG-O 3.28Å; R426-D468 WeakPolarHBondContact CG-O 3.26Å; R426-D468 PolarHBondContact N-O 2.98Å; K461-D468 WeakPolarHBondContact CD-OD1 3.32Å; K461-D468 WeakPolarHBondContact CE-OD1 3.39Å; K461-D468 IonicContact NZ-OD1 2.72Å; K461-D468 PolarHBondContact NZ-OD1 3.44Å; K461-D468 IonicContact NZ-OD2 3Å; K461-D468 PolarHBondContact NZ-OD2 2.76Å
469S94.5Very high94.2Very high68 Ų6835 Ų3548%0.47618%0.181SC..THydrogen-bonded Turntrans-89.61.7177.465.20000114.3K467 V471K467-S469 PolarHBondContact O-N 2.58Å; K467-S469 VanDerWaalsContact O-N 3.15Å; S469-V471 PolarHBondContact O-N 3.4Å
470T94.6Very high93.8Very high13 Ų1339.7 Ų39.78%0.0821%0.206CC..  trans-67.5126.1177.1-60.80000108.7E424 V425 F466 K467 L472E424-T470 WeakPolarHBondContact CA-O 3.26Å; V425-T470 PolarHBondContact N-O 3Å; F466-T470 HydrophobicContact CD1-CG2 3.36Å; F466-T470 HydrophobicContact CE1-CG2 3.87Å; F466-T470 HydrophobicContact CG-CG2 4.29Å; K467-T470 PolarHBondContact N-OG1 3.15Å; K467-T470 VanDerWaalsContact N-OG1 3.15Å; K467-T470 WeakPolarHBondContact O-CB 3.14Å; K467-T470 PolarHBondContact O-N 3.29Å; K467-T470 PolarHBondContact O-OG1 3.13Å; T470-L472 HydrophobicContact CG2-CD2 4.33Å
471V94.1Very high93.6Very high61 Ų6140 Ų4037%0.3721%0.208SC..EExtended strand (participates in β ladder)trans-82.5132.6176.3177.90000110V422 V423 E424 S469V422-V471 HydrophobicContact CG1-CG1 3.31Å; V423-V471 WeakPolarHBondContact O-CA 3.43Å; E424-V471 HydrophobicContact CG-CG2 4.16Å; S469-V471 PolarHBondContact O-N 3.4Å
472L95.7Very high93.5Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-120.5134.8174.7-58.5179.1000109.6L265 F397 V423 V425 F428 L460 T470 L474L265-L472 HydrophobicContact CD1-CD2 4.11Å; F397-L472 HydrophobicContact CB-CD2 3.86Å; V423-L472 HydrophobicContact CG2-CB 4.24Å; V423-L472 PolarHBondContact N-O 3.1Å; V423-L472 PolarHBondContact O-N 3.13Å; V425-L472 HydrophobicContact CG2-CD1 3.98Å; V425-L472 HydrophobicContact CG2-CG 4.26Å; F428-L472 HydrophobicContact CE2-CD1 4.44Å; L460-L472 HydrophobicContact CD1-CD1 3.85Å; L460-L472 HydrophobicContact CD2-CD1 3.91Å; T470-L472 HydrophobicContact CG2-CD2 4.33Å; L472-L474 HydrophobicContact CB-CD2 4.49Å
473H95.5Very high93.4Very high50 Ų5035.6 Ų35.623%0.23119%0.188CC..EExtended strand (participates in β ladder)trans-90.9103171.6-71.8-115.9000108.1I396 F397 Y398 A399 G421I396-H473 VanDerWaalsContact CG2-CD2 3.46Å; I396-H473 WeakPolarHBondContact CG2-CD2 3.16Å; F397-H473 PolarHBondContact O-N 3.33Å; Y398-H473 CarbonylContact C-O 3.56Å; Y398-H473 VanDerWaalsContact CA-O 3.23Å; Y398-H473 WeakPolarHBondContact CA-O 3.1Å; Y398-H473 HydrophobicContact CD1-CB 3.91Å; Y398-H473 HydrophobicContact CD2-CB 4.01Å; Y398-H473 HydrophobicContact CE1-CB 3.9Å; Y398-H473 HydrophobicContact CE2-CB 4.01Å; Y398-H473 HydrophobicContact CG-CB 3.96Å; A399-H473 PolarHBondContact N-O 2.92Å; G421-H473 CarbonylContact O-C 3.51Å
474L95.4Very high93.3Very high3 Ų336 Ų362%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-74.4129.8171.9-54.9-168.5000109A399 Y404 A407 V413 G420 G421 V423 F428 L472A399-L474 HydrophobicContact CB-CD2 3.82Å; A399-L474 VanDerWaalsContact O-CA 3.25Å; A399-L474 WeakPolarHBondContact O-CA 3.2Å; Y404-L474 HydrophobicContact CD2-CB 4.17Å; A407-L474 HydrophobicContact CB-CD1 3.22Å; V413-L474 HydrophobicContact CG1-CD1 3.86Å; V413-L474 HydrophobicContact CG2-CD1 4.49Å; G420-L474 CarbonylContact C-O 3.55Å; G420-L474 WeakPolarHBondContact CA-O 3.44Å; G421-L474 PolarHBondContact N-O 2.76Å; G421-L474 WeakPolarHBondContact O-CA 3.44Å; G421-L474 PolarHBondContact O-N 3.48Å; V423-L474 HydrophobicContact CG1-CD1 4.01Å; V423-L474 HydrophobicContact CG1-CG 4.37Å; V423-L474 HydrophobicContact CG2-CD1 3.92Å; V423-L474 HydrophobicContact CG2-CD2 4.07Å; V423-L474 HydrophobicContact CG2-CG 3.8Å; F428-L474 HydrophobicContact CE2-CD1 4.45Å; F428-L474 HydrophobicContact CE2-CD2 4.23Å; F428-L474 HydrophobicContact CZ-CD1 3.92Å; F428-L474 HydrophobicContact CZ-CD2 4.07Å; L472-L474 HydrophobicContact CB-CD2 4.49Å
475A91.2Very high93.3Very high3 Ų336.2 Ų36.23%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-133.8139179.300000111.1Y398 A399 F400 V478 T483Y398-A475 HydrophobicContact CD1-CB 3.85Å; Y398-A475 HydrophobicContact CE1-CB 4.33Å; A399-A475 PolarHBondContact O-N 2.84Å; A399-A475 VanDerWaalsContact O-N 3.1Å; F400-A475 WeakPolarHBondContact CA-O 3.3Å; F400-A475 WeakPolarHBondContact CB-O 3.21Å; A475-V478 HydrophobicContact CB-CG2 4.24Å; A475-T483 HydrophobicContact CB-CG2 3.77Å; A475-T483 PolarHBondContact O-OG1 3.44Å
476K90.6Very high93.5Very high63 Ų6335.9 Ų35.927%0.27419%0.189SC..SBendtrans-101.2-41.7162.3-178.754.1179.4171.10110.4Y404 L419 E482 T483Y404-K476 HydrophobicContact CD1-CB 3.82Å; Y404-K476 HydrophobicContact CD1-CD 4.12Å; Y404-K476 HydrophobicContact CD1-CG 4.31Å; Y404-K476 HydrophobicContact CD2-CB 4.22Å; Y404-K476 HydrophobicContact CE1-CB 3.48Å; Y404-K476 VanDerWaalsContact CE1-CB 3.48Å; Y404-K476 HydrophobicContact CE1-CD 4.09Å; Y404-K476 HydrophobicContact CE1-CG 3.88Å; Y404-K476 HydrophobicContact CE2-CB 3.91Å; Y404-K476 HydrophobicContact CG-CB 4.18Å; L419-K476 PolarHBondContact O-N 3.46Å; L419-K476 VanDerWaalsContact O-N 3.12Å; K476-E482 WeakPolarHBondContact CE-OE1 3.44Å; K476-E482 VanDerWaalsContact CE-OE2 3.24Å; K476-E482 WeakPolarHBondContact CE-OE2 3.49Å; K476-E482 IonicContact NZ-OE1 2.78Å; K476-E482 PolarHBondContact NZ-OE1 3.2Å; K476-E482 IonicContact NZ-OE2 3.66Å; K476-E482 PolarHBondContact NZ-OE2 2.92Å; K476-T483 PolarHBondContact O-N 3.41Å; K476-T483 PolarHBondContact O-OG1 3.49Å
477K91.1Very high93.5Very high52 Ų5235.6 Ų35.623%0.22619%0.187CC..EExtended strand (participates in β ladder)trans-139.6142.6179.5-73.1-178.1161.8-137.10110.2L419 N480 V481L419-K477 HydrophobicContact CD2-CB 4.02Å; L419-K477 PolarHBondContact O-N 3Å; K477-N480 WeakPolarHBondContact CD-O 3.21Å; K477-N480 PolarHBondContact NZ-O 3.15Å; K477-N480 PolarHBondContact NZ-OD1 3.49Å; K477-V481 CarbonylContact C-O 3.59Å; K477-V481 WeakPolarHBondContact CA-O 3.35Å; K477-V481 WeakPolarHBondContact CB-O 3.47Å
478V89.1Confident93.5Very high16 Ų1630.5 Ų30.510%0.09717%0.165CC..EExtended strand (participates in β ladder)trans-117.5126.1167.1178.90000107L250 T251 Y398 A475 N480 V481 T483L250-V478 HydrophobicContact CB-CB 3.92Å; L250-V478 HydrophobicContact CB-CG1 3.64Å; L250-V478 HydrophobicContact CD1-CB 4.06Å; T251-V478 HydrophobicContact CG2-CG1 3.99Å; Y398-V478 HydrophobicContact CD1-CG2 4.39Å; Y398-V478 HydrophobicContact CE1-CG2 4.06Å; A475-V478 HydrophobicContact CB-CG2 4.24Å; V478-N480 VanDerWaalsContact C-N 3.25Å; V478-N480 PolarHBondContact O-N 3.19Å; V478-V481 PolarHBondContact N-O 3.28Å; V478-V481 WeakPolarHBondContact O-CB 3.32Å; V478-V481 PolarHBondContact O-N 2.96Å; V478-T483 HydrophobicContact CB-CG2 4.29Å; V478-T483 HydrophobicContact CG2-CG2 3.58Å
479N86.8Confident93.4Very high121 Ų12128 Ų2865%0.64715%0.152SC*.THydrogen-bonded Turntrans50.844.8-174.1-61.6-16.9000113L250 V481L250-N479 PolarHBondContact O-ND2 3.21Å; N479-V481 PolarHBondContact O-N 2.87Å
480N89.2Confident93.4Very high97 Ų9724.9 Ų24.952%0.51913%0.131SC..THydrogen-bonded Turntrans65.16.6-177.8-159.734.2000116.3K477 V478K477-N480 WeakPolarHBondContact CD-O 3.21Å; K477-N480 PolarHBondContact NZ-O 3.15Å; K477-N480 PolarHBondContact NZ-OD1 3.49Å; V478-N480 VanDerWaalsContact C-N 3.25Å; V478-N480 PolarHBondContact O-N 3.19Å
481V93Very high93.2Very high8 Ų824.6 Ų24.65%0.04813%0.128CC..EExtended strand (participates in β ladder)trans-102.2134.3178.4-1790000110.2Y132 L145 E148 L250 K477 V478 N479 T483 L487Y132-V481 HydrophobicContact CE1-CG1 4.07Å; L145-V481 HydrophobicContact CD2-CB 4.39Å; L145-V481 HydrophobicContact CD2-CG1 4.08Å; L145-V481 HydrophobicContact CD2-CG2 3.51Å; L145-V481 HydrophobicContact CG-CG2 4.38Å; E148-V481 HydrophobicContact CB-CG1 4.42Å; E148-V481 HydrophobicContact CB-CG2 4.34Å; E148-V481 VanDerWaalsContact OE2-CA 3.29Å; E148-V481 WeakPolarHBondContact OE2-CA 3.24Å; L250-V481 HydrophobicContact CD1-CB 3.91Å; L250-V481 HydrophobicContact CD1-CG1 3.95Å; L250-V481 HydrophobicContact CD2-CB 3.84Å; L250-V481 HydrophobicContact CD2-CG1 4.13Å; L250-V481 HydrophobicContact CD2-CG2 3.92Å; K477-V481 CarbonylContact C-O 3.59Å; K477-V481 WeakPolarHBondContact CA-O 3.35Å; K477-V481 WeakPolarHBondContact CB-O 3.47Å; V478-V481 PolarHBondContact N-O 3.28Å; V478-V481 WeakPolarHBondContact O-CB 3.32Å; V478-V481 PolarHBondContact O-N 2.96Å; N479-V481 PolarHBondContact O-N 2.87Å; V481-T483 PolarHBondContact O-N 2.89Å; V481-L487 HydrophobicContact CG1-CD2 4.29Å
482E93.9Very high92.9Very high13 Ų1323.5 Ų23.56%0.06112%0.12CC..EExtended strand (participates in β ladder)trans-55.9128.8179.5-175.872.2-176.600111.2E148 F150 K476 S484E148-E482 PolarHBondContact OE2-N 3.02Å; F150-E482 HydrophobicContact CD2-CB 4.16Å; F150-E482 HydrophobicContact CD2-CG 4.21Å; F150-E482 HydrophobicContact CE2-CB 4.37Å; F150-E482 HydrophobicContact CE2-CG 3.91Å; F150-E482 HydrophobicContact CZ-CG 4.29Å; K476-E482 WeakPolarHBondContact CE-OE1 3.44Å; K476-E482 VanDerWaalsContact CE-OE2 3.24Å; K476-E482 WeakPolarHBondContact CE-OE2 3.49Å; K476-E482 IonicContact NZ-OE1 2.78Å; K476-E482 PolarHBondContact NZ-OE1 3.2Å; K476-E482 IonicContact NZ-OE2 3.66Å; K476-E482 PolarHBondContact NZ-OE2 2.92Å; E482-S484 PolarHBondContact O-N 3.26Å; E482-S484 VanDerWaalsContact O-N 3.09Å
483T93.2Very high92.4Very high2 Ų226.5 Ų26.51%0.01213%0.133CC..  trans-77.598.4173.448.50000110F400 A475 K476 V478 V481F400-T483 WeakPolarHBondContact CB-OG1 3.48Å; F400-T483 WeakPolarHBondContact CD2-O 3.43Å; A475-T483 HydrophobicContact CB-CG2 3.77Å; A475-T483 PolarHBondContact O-OG1 3.44Å; K476-T483 PolarHBondContact O-N 3.41Å; K476-T483 PolarHBondContact O-OG1 3.49Å; V478-T483 HydrophobicContact CB-CG2 4.29Å; V478-T483 HydrophobicContact CG2-CG2 3.58Å; V481-T483 PolarHBondContact O-N 2.89Å
484S95.1Very high91.9Very high9 Ų927.2 Ų27.26%0.06314%0.136CC..SBendtrans-151.6-179.4173.477.80000110.5T246 E482 A486T246-S484 WeakPolarHBondContact CB-O 3.46Å; T246-S484 WeakPolarHBondContact CG2-O 3.49Å; T246-S484 PolarHBondContact OG1-O 2.9Å; E482-S484 PolarHBondContact O-N 3.26Å; E482-S484 VanDerWaalsContact O-N 3.09Å; S484-A486 PolarHBondContact O-N 3.43Å; S484-A486 VanDerWaalsContact OG-CB 3.32Å; S484-A486 WeakPolarHBondContact OG-CB 3.36Å; S484-A486 PolarHBondContact OG-N 3.29Å; S484-A486 VanDerWaalsContact OG-N 3.12Å
485W96.6Very high91Very high4 Ų431.7 Ų31.72%0.01515%0.153CC..SBendtrans-73.4-12.3172.258-99.8000113.9M119 D121 K195 T197 M234 E239 L242 A243 L487 G488 A489M119-W485 HydrophobicContact CG-CH2 4.49Å; M119-W485 HydrophobicContact CG-CZ3 4.1Å; M119-W485 HydrophobicContact SD-CH2 4.34Å; M119-W485 HydrophobicContact SD-CZ3 3.95Å; D121-W485 HydrophobicContact CB-CH2 3.87Å; D121-W485 HydrophobicContact CB-CZ2 3.42Å; D121-W485 VanDerWaalsContact CB-CZ2 3.42Å; D121-W485 VanDerWaalsContact OD1-CZ2 3.23Å; D121-W485 WeakPolarHBondContact OD1-CZ2 3.31Å; K195-W485 HydrophobicContact CB-CH2 3.49Å; K195-W485 VanDerWaalsContact CB-CH2 3.49Å; K195-W485 HydrophobicContact CB-CZ2 4.26Å; K195-W485 HydrophobicContact CB-CZ3 3.82Å; K195-W485 HydrophobicContact CG-CH2 4.17Å; K195-W485 HydrophobicContact CG-CZ3 4.02Å; T197-W485 HydrophobicContact CG2-CZ2 3.85Å; M234-W485 HydrophobicContact CE-CD2 3.31Å; M234-W485 HydrophobicContact CE-CE3 3.61Å; M234-W485 HydrophobicContact CE-CG 3.78Å; M234-W485 HydrophobicContact CE-CH2 4.06Å; M234-W485 HydrophobicContact CE-CZ2 3.68Å; M234-W485 HydrophobicContact CE-CZ3 4Å; M234-W485 HydrophobicContact SD-CD2 4.29Å; M234-W485 HydrophobicContact SD-CE3 4.11Å; E239-W485 HydrophobicContact CG-CG 4.14Å; E239-W485 WeakPolarHBondContact O-CB 3.44Å; L242-W485 HydrophobicContact CB-CB 4.07Å; A243-W485 HydrophobicContact CB-CB 4.06Å; W485-L487 PolarHBondContact O-N 3.01Å; W485-G488 PolarHBondContact O-N 2.86Å; W485-A489 HydrophobicContact CE3-CB 3.61Å; W485-A489 HydrophobicContact CZ3-CB 3.72Å; W485-A489 PolarHBondContact O-N 2.81Å
486A97.2Very high90Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-63.4-38.8-166.800000114M119 H130 S484 A489 T490M119-A486 HydrophobicContact CB-CB 4.49Å; M119-A486 HydrophobicContact CG-CB 3.88Å; H130-A486 HydrophobicContact CB-CB 4.5Å; S484-A486 PolarHBondContact O-N 3.43Å; S484-A486 VanDerWaalsContact OG-CB 3.32Å; S484-A486 WeakPolarHBondContact OG-CB 3.36Å; S484-A486 PolarHBondContact OG-N 3.29Å; S484-A486 VanDerWaalsContact OG-N 3.12Å; A486-A489 PolarHBondContact O-N 3.23Å; A486-T490 WeakPolarHBondContact O-CB 3.47Å; A486-T490 PolarHBondContact O-N 3.4Å; A486-T490 PolarHBondContact O-OG1 3.06Å
487L96.2Very high88.8Confident0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-68.2-46.3176.9178.762.5000111.2Y132 F134 L145 T246 F249 L250 V481 W485 A489 T490 F491Y132-L487 HydrophobicContact CD1-CD1 3.94Å; Y132-L487 HydrophobicContact CD2-CD1 4.31Å; Y132-L487 HydrophobicContact CE1-CB 4.18Å; Y132-L487 HydrophobicContact CE1-CD1 3.89Å; Y132-L487 HydrophobicContact CE2-CB 4.39Å; Y132-L487 HydrophobicContact CE2-CD1 4.27Å; Y132-L487 HydrophobicContact CG-CD1 4.14Å; Y132-L487 PolarHBondContact OH-N 2.78Å; F134-L487 HydrophobicContact CE1-CD1 4.05Å; F134-L487 HydrophobicContact CZ-CD1 3.71Å; L145-L487 HydrophobicContact CD2-CD1 4.01Å; L145-L487 HydrophobicContact CD2-CD2 3.73Å; T246-L487 HydrophobicContact CG2-CB 3.89Å; T246-L487 HydrophobicContact CG2-CD2 4.23Å; F249-L487 HydrophobicContact CD1-CD2 3.74Å; F249-L487 HydrophobicContact CE1-CD2 4.06Å; L250-L487 HydrophobicContact CD1-CD2 4.33Å; L250-L487 HydrophobicContact CD2-CD2 3.8Å; L250-L487 HydrophobicContact CG-CD2 3.99Å; V481-L487 HydrophobicContact CG1-CD2 4.29Å; W485-L487 PolarHBondContact O-N 3.01Å; L487-A489 VanDerWaalsContact C-N 3.3Å; L487-A489 PolarHBondContact O-N 3.49Å; L487-T490 WeakPolarHBondContact O-CA 2.96Å; L487-T490 WeakPolarHBondContact O-CB 3.47Å; L487-T490 PolarHBondContact O-N 3.15Å; L487-F491 HydrophobicContact CD1-CD2 4.33Å; L487-F491 HydrophobicContact CD1-CE2 3.75Å; L487-F491 HydrophobicContact CD1-CZ 3.95Å; L487-F491 HydrophobicContact CD2-CE2 4.04Å; L487-F491 HydrophobicContact CG-CD2 4.11Å; L487-F491 HydrophobicContact CG-CE2 3.63Å; L487-F491 HydrophobicContact CG-CZ 4.32Å; L487-F491 WeakPolarHBondContact O-CD2 3.46Å; L487-F491 PolarHBondContact O-N 3.24Å
488G94.8Very high87.6Confident0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-56.5-43.6173.800000112.2T246 W485 T490 F491 D492T246-G488 PolarHBondContact OG1-N 3.21Å; W485-G488 PolarHBondContact O-N 2.86Å; G488-T490 VanDerWaalsContact C-N 3.3Å; G488-T490 PolarHBondContact O-N 3.45Å; G488-F491 PolarHBondContact O-N 2.8Å; G488-D492 WeakPolarHBondContact O-CB 3.48Å; G488-D492 PolarHBondContact O-N 3.01Å
489A94.6Very high86.7Confident4 Ų437.6 Ų37.63%0.03319%0.187CC..Hα-helixtrans-64-34174.500000113.1M119 L242 W485 A486 L487 D492 F493M119-A489 HydrophobicContact CE-CB 3.93Å; M119-A489 HydrophobicContact SD-CB 4.43Å; L242-A489 HydrophobicContact CD1-CB 3.96Å; W485-A489 HydrophobicContact CE3-CB 3.61Å; W485-A489 HydrophobicContact CZ3-CB 3.72Å; W485-A489 PolarHBondContact O-N 2.81Å; A486-A489 PolarHBondContact O-N 3.23Å; L487-A489 VanDerWaalsContact C-N 3.3Å; L487-A489 PolarHBondContact O-N 3.49Å; A489-D492 PolarHBondContact O-N 3.21Å; A489-F493 WeakPolarHBondContact O-CB 3.45Å; A489-F493 PolarHBondContact O-N 2.72Å
490T94Very high85.8Confident4 Ų436.9 Ų36.93%0.02518%0.18CC..Hα-helixtrans-66.6-41.9174.9-58.50000110.5Y132 F134 A486 L487 G488 F493 F494Y132-T490 HydrophobicContact CD2-CG2 4.01Å; Y132-T490 WeakPolarHBondContact CE2-OG1 3.32Å; F134-T490 HydrophobicContact CE2-CG2 3.92Å; F134-T490 HydrophobicContact CZ-CG2 4.17Å; A486-T490 WeakPolarHBondContact O-CB 3.47Å; A486-T490 PolarHBondContact O-N 3.4Å; A486-T490 PolarHBondContact O-OG1 3.06Å; L487-T490 WeakPolarHBondContact O-CA 2.96Å; L487-T490 WeakPolarHBondContact O-CB 3.47Å; L487-T490 PolarHBondContact O-N 3.15Å; G488-T490 VanDerWaalsContact C-N 3.3Å; G488-T490 PolarHBondContact O-N 3.45Å; T490-F493 PolarHBondContact O-N 2.73Å; T490-F494 HydrophobicContact CG2-CD2 3.86Å; T490-F494 HydrophobicContact CG2-CE2 3.35Å; T490-F494 HydrophobicContact CG2-CZ 4.13Å; T490-F494 WeakPolarHBondContact O-CD2 3.28Å; T490-F494 WeakPolarHBondContact O-CG 3.31Å; T490-F494 PolarHBondContact O-N 3.35Å; T490-F494 VanDerWaalsContact O-N 3.1Å
491F89.6Confident84.1Confident6 Ų636 Ų363%0.02617%0.173CC..Hα-helixtrans-66.5-41.9173.3-70.8-49.6000113.2F134 P143 F249 L487 G488 F493 F494 R495 F497F134-F491 HydrophobicContact CD1-CE1 4.18Å; F134-F491 HydrophobicContact CD1-CZ 4.49Å; F134-F491 AromaticContact CE1-CE1 3.48Å; F134-F491 HydrophobicContact CE1-CE1 3.48Å; F134-F491 VanDerWaalsContact CE1-CE1 3.48Å; F134-F491 AromaticContact CE1-CZ 3.58Å; F134-F491 HydrophobicContact CE1-CZ 3.58Å; F134-F491 AromaticContact CZ-CE1 3.91Å; F134-F491 HydrophobicContact CZ-CE1 3.91Å; F134-F491 HydrophobicContact CZ-CZ 4.16Å; P143-F491 HydrophobicContact CG-CD1 4.42Å; P143-F491 HydrophobicContact CG-CE1 3.73Å; F249-F491 HydrophobicContact CB-CE2 4.45Å; F249-F491 AromaticContact CD1-CE2 3.76Å; F249-F491 HydrophobicContact CD1-CE2 3.76Å; F249-F491 HydrophobicContact CD1-CZ 4.16Å; F249-F491 HydrophobicContact CD2-CD2 4.5Å; F249-F491 AromaticContact CD2-CE2 3.63Å; F249-F491 HydrophobicContact CD2-CE2 3.63Å; F249-F491 AromaticContact CD2-CZ 3.94Å; F249-F491 HydrophobicContact CD2-CZ 3.94Å; F249-F491 AromaticContact CE1-CE2 3.82Å; F249-F491 HydrophobicContact CE1-CE2 3.82Å; F249-F491 AromaticContact CE1-CZ 3.72Å; F249-F491 HydrophobicContact CE1-CZ 3.72Å; F249-F491 HydrophobicContact CE2-CE1 4.36Å; F249-F491 AromaticContact CE2-CE2 3.66Å; F249-F491 HydrophobicContact CE2-CE2 3.66Å; F249-F491 AromaticContact CE2-CZ 3.44Å; F249-F491 HydrophobicContact CE2-CZ 3.44Å; F249-F491 VanDerWaalsContact CE2-CZ 3.44Å; F249-F491 AromaticContact CG-CE2 3.68Å; F249-F491 HydrophobicContact CG-CE2 3.68Å; F249-F491 HydrophobicContact CG-CZ 4.27Å; F249-F491 HydrophobicContact CZ-CE1 4.4Å; F249-F491 AromaticContact CZ-CE2 3.77Å; F249-F491 HydrophobicContact CZ-CE2 3.77Å; F249-F491 AromaticContact CZ-CZ 3.33Å; F249-F491 HydrophobicContact CZ-CZ 3.33Å; L487-F491 HydrophobicContact CD1-CD2 4.33Å; L487-F491 HydrophobicContact CD1-CE2 3.75Å; L487-F491 HydrophobicContact CD1-CZ 3.95Å; L487-F491 HydrophobicContact CD2-CE2 4.04Å; L487-F491 HydrophobicContact CG-CD2 4.11Å; L487-F491 HydrophobicContact CG-CE2 3.63Å; L487-F491 HydrophobicContact CG-CZ 4.32Å; L487-F491 WeakPolarHBondContact O-CD2 3.46Å; L487-F491 PolarHBondContact O-N 3.24Å; G488-F491 PolarHBondContact O-N 2.8Å; F491-F493 VanDerWaalsContact C-N 3.26Å; F491-F493 PolarHBondContact O-N 2.55Å; F491-F494 PolarHBondContact O-N 3.08Å; F491-F494 VanDerWaalsContact O-N 3.11Å; F491-R495 WeakPolarHBondContact O-CB 3.49Å; F491-R495 PolarHBondContact O-N 3.47Å; F491-F497 HydrophobicContact CB-CE2 3.7Å; F491-F497 HydrophobicContact CB-CZ 3.6Å
492D88.4Confident82Confident39 Ų3942 Ų4221%0.20920%0.204CC..Hα-helixtrans-56.2-45.3174.6-179.141.4000110.7L242 G488 A489 F494 R495 N496 F497L242-D492 HydrophobicContact CD2-CB 3.67Å; G488-D492 WeakPolarHBondContact O-CB 3.48Å; G488-D492 PolarHBondContact O-N 3.01Å; A489-D492 PolarHBondContact O-N 3.21Å; D492-F494 VanDerWaalsContact C-N 3.34Å; D492-F494 PolarHBondContact O-N 3.29Å; D492-R495 PolarHBondContact O-N 2.85Å; D492-N496 WeakPolarHBondContact O-CA 3.14Å; D492-N496 PolarHBondContact O-N 3.47Å; D492-F497 VanDerWaalsContact CA-CD2 3.4Å; D492-F497 HydrophobicContact CB-CB 4.47Å; D492-F497 HydrophobicContact CB-CD2 3.52Å; D492-F497 HydrophobicContact CB-CE2 4.03Å; D492-F497 HydrophobicContact CB-CG 4.19Å; D492-F497 VanDerWaalsContact N-CE2 3.34Å; D492-F497 VanDerWaalsContact OD1-CA 3.23Å; D492-F497 WeakPolarHBondContact OD1-CA 3.3Å; D492-F497 WeakPolarHBondContact OD1-CB 3.17Å; D492-F497 PolarHBondContact OD1-N 2.99Å
493F85.5Confident81.4Confident63 Ų6343.4 Ų43.428%0.27621%0.212SC..Hα-helixtrans-61.4-39.5175.5-179.1-94.4000113.1P191 V193 P227 A489 T490 F491P191-F493 HydrophobicContact CB-CD1 4.36Å; P191-F493 HydrophobicContact CB-CE1 3.58Å; P191-F493 HydrophobicContact CB-CZ 4.08Å; P191-F493 HydrophobicContact CG-CD1 4.27Å; P191-F493 HydrophobicContact CG-CE1 3.78Å; V193-F493 HydrophobicContact CG2-CD2 4.03Å; V193-F493 HydrophobicContact CG2-CE2 4.07Å; V193-F493 HydrophobicContact CG2-CG 4.3Å; V193-F493 HydrophobicContact CG2-CZ 4.39Å; P227-F493 HydrophobicContact CB-CE2 3.77Å; P227-F493 HydrophobicContact CB-CZ 3.49Å; P227-F493 VanDerWaalsContact CB-CZ 3.49Å; P227-F493 HydrophobicContact CG-CE1 4.41Å; P227-F493 HydrophobicContact CG-CE2 3.56Å; P227-F493 HydrophobicContact CG-CZ 3.37Å; A489-F493 WeakPolarHBondContact O-CB 3.45Å; A489-F493 PolarHBondContact O-N 2.72Å; T490-F493 PolarHBondContact O-N 2.73Å; F491-F493 VanDerWaalsContact C-N 3.26Å; F491-F493 PolarHBondContact O-N 2.55Å
494F83.7Confident80.8Confident65 Ų6545.6 Ų45.629%0.28522%0.222SC..Hα-helixtrans-79.1-25.1-180-68-43.7000114.8F115 F134 P191 T490 F491 D492F115-F494 HydrophobicContact CD2-CE1 4.49Å; F115-F494 HydrophobicContact CD2-CE2 4.18Å; F115-F494 HydrophobicContact CD2-CZ 4.04Å; F115-F494 AromaticContact CE2-CD2 3.94Å; F115-F494 HydrophobicContact CE2-CD2 3.94Å; F115-F494 HydrophobicContact CE2-CE1 4.47Å; F115-F494 AromaticContact CE2-CE2 3.67Å; F115-F494 HydrophobicContact CE2-CE2 3.67Å; F115-F494 HydrophobicContact CE2-CG 4.47Å; F115-F494 AromaticContact CE2-CZ 3.98Å; F115-F494 HydrophobicContact CE2-CZ 3.98Å; F134-F494 HydrophobicContact CD2-CE2 4.15Å; F134-F494 AromaticContact CE2-CE2 3.83Å; F134-F494 HydrophobicContact CE2-CE2 3.83Å; P191-F494 HydrophobicContact CG-CE1 3.62Å; P191-F494 HydrophobicContact CG-CZ 3.97Å; T490-F494 HydrophobicContact CG2-CD2 3.86Å; T490-F494 HydrophobicContact CG2-CE2 3.35Å; T490-F494 HydrophobicContact CG2-CZ 4.13Å; T490-F494 WeakPolarHBondContact O-CD2 3.28Å; T490-F494 WeakPolarHBondContact O-CG 3.31Å; T490-F494 PolarHBondContact O-N 3.35Å; T490-F494 VanDerWaalsContact O-N 3.1Å; F491-F494 PolarHBondContact O-N 3.08Å; F491-F494 VanDerWaalsContact O-N 3.11Å; D492-F494 VanDerWaalsContact C-N 3.34Å; D492-F494 PolarHBondContact O-N 3.29Å
495R77.1Confident80Confident97 Ų9747.6 Ų47.637%0.36623%0.231SC..Hα-helixtrans-119.9-3.5-171.7-63.7-70.2-173160.40.1113.4P139 E141 F491 D492 F497P139-R495 PolarHBondContact O-NH1 3.29Å; P139-R495 PolarHBondContact O-NH2 3.33Å; E141-R495 PolarHBondContact O-NH2 2.86Å; F491-R495 WeakPolarHBondContact O-CB 3.49Å; F491-R495 PolarHBondContact O-N 3.47Å; D492-R495 PolarHBondContact O-N 2.85Å; R495-F497 HydrophobicContact CB-CD1 4.07Å; R495-F497 HydrophobicContact CB-CE1 3.52Å; R495-F497 HydrophobicContact CB-CZ 4.23Å; R495-F497 HydrophobicContact CG-CE1 4.27Å
496N69.9Low79Confident119 Ų11950.2 Ų50.264%0.63624%0.244SC*.  trans46.471.5-173.9-69.1-27.4000112D492 N498D492-N496 WeakPolarHBondContact O-CA 3.14Å; D492-N496 PolarHBondContact O-N 3.47Å; N496-N498 PolarHBondContact O-N 3.35Å
497F66.1Low77.8Confident17 Ų1753.3 Ų53.38%0.07526%0.259CS..  trans-65.5114.1173.7-51.4-36.7000108.6L242 V245 F295 L297 F491 D492 R495 I499L242-F497 HydrophobicContact CD2-CD2 4.49Å; V245-F497 HydrophobicContact CG1-CE2 4.24Å; F295-F497 HydrophobicContact CD2-CB 4.48Å; L297-F497 HydrophobicContact CD1-CD1 3.86Å; L297-F497 HydrophobicContact CD1-CE1 3.12Å; L297-F497 HydrophobicContact CD1-CE2 3.99Å; L297-F497 HydrophobicContact CD1-CZ 3.18Å; L297-F497 HydrophobicContact CG-CE1 4.49Å; F491-F497 HydrophobicContact CB-CE2 3.7Å; F491-F497 HydrophobicContact CB-CZ 3.6Å; D492-F497 VanDerWaalsContact CA-CD2 3.4Å; D492-F497 HydrophobicContact CB-CB 4.47Å; D492-F497 HydrophobicContact CB-CD2 3.52Å; D492-F497 HydrophobicContact CB-CE2 4.03Å; D492-F497 HydrophobicContact CB-CG 4.19Å; D492-F497 VanDerWaalsContact N-CE2 3.34Å; D492-F497 VanDerWaalsContact OD1-CA 3.23Å; D492-F497 WeakPolarHBondContact OD1-CA 3.3Å; D492-F497 WeakPolarHBondContact OD1-CB 3.17Å; D492-F497 PolarHBondContact OD1-N 2.99Å; R495-F497 HydrophobicContact CB-CD1 4.07Å; R495-F497 HydrophobicContact CB-CE1 3.52Å; R495-F497 HydrophobicContact CB-CZ 4.23Å; R495-F497 HydrophobicContact CG-CE1 4.27Å; F497-I499 HydrophobicContact CB-CG1 4.15Å; F497-I499 PolarHBondContact O-N 3.12Å
498N64.9Low76.6Confident94 Ų9456.9 Ų56.950%0.50328%0.276SS..  trans-73.683.1174.4-73.1-35.2000108.9N496 H500N496-N498 PolarHBondContact O-N 3.35Å; N498-H500 PolarHBondContact O-CD2 3.46Å
499I70.3Confident75.3Confident27 Ų2760.9 Ų60.914%0.13830%0.296CS..  trans-84.1121.2176.6-54.9171.2000108.6V241 L242 K294 F295 F497V241-I499 HydrophobicContact CG1-CD1 3.97Å; V241-I499 HydrophobicContact CG1-CG1 4.42Å; L242-I499 HydrophobicContact CD2-CD1 3.98Å; L242-I499 HydrophobicContact CG-CD1 4.31Å; K294-I499 WeakPolarHBondContact O-CA 3.39Å; F295-I499 HydrophobicContact CB-CB 4.21Å; F295-I499 HydrophobicContact CB-CG1 3.7Å; F295-I499 HydrophobicContact CB-CG2 4.44Å; F295-I499 HydrophobicContact CG-CG1 4.46Å; F497-I499 HydrophobicContact CB-CG1 4.15Å; F497-I499 PolarHBondContact O-N 3.12Å
500H68.6Low73.8Confident106 Ų10665.3 Ų65.349%0.49132%0.316SS..BIsolated β-bridgetrans-126.5143.1-179.9-57.3-56.5000110.8A293 K294 N498A293-H500 WeakPolarHBondContact CA-O 3.2Å; K294-H500 PolarHBondContact N-O 2.89Å; K294-H500 PolarHBondContact O-N 3.09Å; N498-H500 PolarHBondContact O-CD2 3.46Å
501Q52.7Low72.2Confident80 Ų8070.4 Ų70.437%0.37434%0.34SS..  trans-105.1135166.4-64.9177.819.300107
502D49.2Very low70.6Confident132 Ų13276.3 Ų76.371%0.70637%0.369SS*.  trans-79.80-178-74.6-21000113.1K294K294-D502 VanDerWaalsContact CE-OD2 3.26Å; K294-D502 WeakPolarHBondContact CE-OD2 3.21Å; K294-D502 IonicContact NZ-OD1 3.94Å; K294-D502 IonicContact NZ-OD2 2.88Å; K294-D502 PolarHBondContact NZ-OD2 3.12Å

Retrieved 502 of 502 residues in 380 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).