A0A3Q0KVA1_SCHMA Loading...

HECT-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3Q0KVA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,064 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low28.7Very low233 Ų233136.6 Ų136.6100%1.14880%0.801SS**  0123.50-70.7162.2175.200106.6
2V27.4Very low28.6Very low128 Ų128136.8 Ų136.878%0.77681%0.805SS**  73.7121.953.2174.50000110.2
3L28.8Very low28.8Very low140 Ų140143.2 Ų143.273%0.73381%0.807SS**  cis-161.6139.1-10.4-114.9-179.9000108.5
4N30.5Very low29.6Very low142 Ų142143.8 Ų143.876%0.75980%0.796SS**  161.3128.6124.3-88.9-15.4000113.8
5V33.4Very low30.6Very low133 Ų133144.3 Ų144.381%0.80679%0.79SS**  trans-91.6129.8160.1171.20000108.4
6P29.9Very low32.3Very low112 Ų112138.8 Ų138.873%0.72776%0.759SS**  trans-90.7113158.1-8.326.8000110.4
7S24.8Very low34.5Very low101 Ų101137.7 Ų137.771%0.70675%0.747SS**  trans28115150.255.20000119.6S9S7-S9 PolarHBondContact O-N 2.81Å
8K24.7Very low37.2Very low201 Ų201132.2 Ų132.287%0.87472%0.718SS**  trans-26.9108.9151.4-63.1169.3177.21770112.2V10K8-V10 PolarHBondContact O-N 3.28Å; K8-V10 VanDerWaalsContact O-N 3.07Å
9S25.8Very low39.8Very low117 Ų117128.5 Ų128.582%0.81869%0.694SS**  trans-69.9105166.146.40000108.3S7 G11S7-S9 PolarHBondContact O-N 2.81Å; S9-G11 PolarHBondContact O-N 3.16Å
10V26.5Very low42.1Very low130 Ų130122.4 Ų122.479%0.78866%0.662SS**  trans-49124.2176.41780000108.6K8 V12K8-V10 PolarHBondContact O-N 3.28Å; K8-V10 VanDerWaalsContact O-N 3.07Å; V10-V12 PolarHBondContact O-N 3.21Å
11G25.8Very low44.1Very low66 Ų66116.7 Ų116.768%0.6863%0.631SS**  trans-51.8116.1-177.900000110.6S9 R13S9-G11 PolarHBondContact O-N 3.16Å; G11-R13 PolarHBondContact O-N 2.66Å
12V27Very low46.2Very low139 Ų139108 Ų10884%0.84259%0.592SS**  trans-60111-174.4178.20000108.3V10 K14V10-V12 PolarHBondContact O-N 3.21Å; V12-K14 PolarHBondContact O-N 3.17Å
13R31.2Very low48.7Very low220 Ų220106.3 Ų106.383%0.8358%0.578SS**  trans-59.6104.3174-73.5-178174.4-177.5-3108.1G11 H15G11-R13 PolarHBondContact O-N 2.66Å; R13-H15 PolarHBondContact O-N 3.31Å
14K40.2Very low50.9Low151 Ų151104.5 Ų104.566%0.65758%0.577SS**  trans-50.4132.1160.1-86.4-167.3167.1-162.60107.4V12 L16V12-K14 PolarHBondContact O-N 3.17Å; K14-L16 PolarHBondContact O-N 2.73Å
15H45.1Very low53Low152 Ų152101.7 Ų101.770%0.70456%0.562SS**  trans-61.2118164.9-95.7-134.2000108R13 E17 L177R13-H15 PolarHBondContact O-N 3.31Å; H15-E17 PolarHBondContact O-N 2.62Å; H15-E17 VanDerWaalsContact O-N 3.14Å; H15-L177 HydrophobicContact CB-CD1 3.72Å; H15-L177 WeakPolarHBondContact ND1-CD1 3.43Å
16L57.5Low55.3Low56 Ų5696.4 Ų96.429%0.29353%0.53SS..  trans-78.886.8169.9-77.584.6000108.5K14 I92 L177 L180K14-L16 PolarHBondContact O-N 2.73Å; L16-I92 HydrophobicContact CD2-CD1 4.45Å; L16-I92 HydrophobicContact CD2-CG1 4.15Å; L16-L177 HydrophobicContact CB-CD2 3.89Å; L16-L177 WeakPolarHBondContact O-CD1 3.34Å; L16-L177 VanDerWaalsContact O-CD2 3.29Å; L16-L177 WeakPolarHBondContact O-CD2 3.45Å; L16-L180 HydrophobicContact CB-CD1 4.45Å
17E68.8Low57.8Low120 Ų12094.4 Ų94.456%0.56151%0.514SS*.  trans-54.7144.2174.2-81.1-176.6107.200112H15 Y19H15-E17 PolarHBondContact O-N 2.62Å; H15-E17 VanDerWaalsContact O-N 3.14Å; E17-Y19 HydrophobicContact CB-CE1 4.04Å; E17-Y19 HydrophobicContact CB-CE2 3.96Å; E17-Y19 VanDerWaalsContact O-CD2 3.26Å; E17-Y19 WeakPolarHBondContact O-CD2 3.42Å; E17-Y19 VanDerWaalsContact O-CE2 3.25Å; E17-Y19 WeakPolarHBondContact O-CE2 3.37Å
18V83.4Confident60.5Low38 Ų3896.7 Ų96.723%0.2352%0.523CS..EExtended strand (participates in β ladder)trans-98.899.3177.9178.70000107.7L32 I92 R94V18-L32 HydrophobicContact CG1-CD2 3.86Å; V18-I92 WeakPolarHBondContact CA-O 3.47Å; V18-I92 HydrophobicContact CG1-CG2 4.3Å; V18-I92 HydrophobicContact CG2-CB 4.33Å; V18-I92 HydrophobicContact CG2-CG2 4.15Å; V18-R94 HydrophobicContact CG1-CB 4.19Å
19Y87.5Confident63.4Low63 Ų6392.1 Ų92.125%0.24751%0.505CS..EExtended strand (participates in β ladder)trans-83.3-174.5-179.6-53.1-83.4000111.2E17 V74 F91 I92 F93 R94E17-Y19 HydrophobicContact CB-CE1 4.04Å; E17-Y19 HydrophobicContact CB-CE2 3.96Å; E17-Y19 VanDerWaalsContact O-CD2 3.26Å; E17-Y19 WeakPolarHBondContact O-CD2 3.42Å; E17-Y19 VanDerWaalsContact O-CE2 3.25Å; E17-Y19 WeakPolarHBondContact O-CE2 3.37Å; Y19-V74 HydrophobicContact CD1-CG1 4.31Å; Y19-V74 HydrophobicContact CD1-CG2 3.42Å; Y19-V74 VanDerWaalsContact CD1-CG2 3.42Å; Y19-V74 HydrophobicContact CD2-CG1 4.48Å; Y19-V74 HydrophobicContact CD2-CG2 4.35Å; Y19-V74 HydrophobicContact CE1-CG1 3.88Å; Y19-V74 HydrophobicContact CE1-CG2 3.77Å; Y19-V74 HydrophobicContact CE2-CG1 4.08Å; Y19-V74 HydrophobicContact CG-CG2 3.73Å; Y19-F91 HydrophobicContact CD2-CB 4.43Å; Y19-F91 AromaticContact CE2-CD1 3.99Å; Y19-F91 HydrophobicContact CE2-CD1 3.99Å; Y19-I92 PolarHBondContact N-O 3.42Å; Y19-F93 CarbonylContact O-C 3.54Å; Y19-F93 WeakPolarHBondContact O-CA 3.43Å; Y19-R94 PolarHBondContact O-N 2.91Å
20G85.2Confident66.4Low6 Ų687 Ų876%0.06247%0.469CS..EExtended strand (participates in β ladder)trans90-139.4174.900000113.7P22G20-P22 WeakPolarHBondContact O-CD 3.47Å
21L84.8Confident69.4Low2 Ų283.6 Ų83.61%0.0144%0.442CS..SBendtrans-54.1127.3-175.9-83.2166000112.2L25 T30 L70 R94 N96L21-L25 HydrophobicContact CD2-CB 3.84Å; L21-L25 HydrophobicContact CD2-CD1 4.47Å; L21-T30 HydrophobicContact CD1-CG2 4.38Å; L21-L70 HydrophobicContact CD2-CD1 3.75Å; L21-L70 HydrophobicContact CD2-CD2 4.15Å; L21-L70 HydrophobicContact CG-CD1 4.2Å; L21-R94 HydrophobicContact CB-CB 4.28Å; L21-R94 HydrophobicContact CB-CG 4.09Å; L21-R94 PolarHBondContact N-O 3.49Å; L21-R94 WeakPolarHBondContact O-CD 3.31Å; L21-R94 PolarHBondContact O-NH1 3.19Å; L21-N96 HydrophobicContact CD1-CB 4.15Å; L21-N96 WeakPolarHBondContact CD1-OD1 3.4Å
22P81.4Confident72.6Confident51 Ų5180.7 Ų80.733%0.33141%0.411SS..  trans-54.9150.1165-26.234.9000112.1G20 S24 L25G20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-S24 PolarHBondContact O-N 3.48Å; P22-L25 HydrophobicContact CG-CD1 4.33Å; P22-L25 PolarHBondContact O-N 2.88Å
23L80.2Confident75.7Confident93 Ų9374 Ų7449%0.48737%0.37SS..G310 helixtrans-58.1-31.2179.3-75.9170.6000113.2L25 C26 Q173L23-L25 PolarHBondContact O-N 3.12Å; L23-C26 WeakPolarHBondContact O-CB 3.46Å; L23-C26 PolarHBondContact O-N 3.03Å; L23-C26 PolarHBondContact O-SG 3.39Å; L23-Q173 WeakPolarHBondContact CD2-O 3.28Å
24S74.8Confident78.6Confident101 Ų10163.8 Ų63.871%0.70633%0.332SS*.G310 helixtrans-69.6-11.5175.749.50000114.9P22P22-S24 PolarHBondContact O-N 3.48Å
25L75.6Confident81.1Confident84 Ų8456.6 Ų56.644%0.4430%0.3SS..G310 helixtrans-113.38.5179.5-64.8177.8000113L21 P22 L23 L70L21-L25 HydrophobicContact CD2-CB 3.84Å; L21-L25 HydrophobicContact CD2-CD1 4.47Å; P22-L25 HydrophobicContact CG-CD1 4.33Å; P22-L25 PolarHBondContact O-N 2.88Å; L23-L25 PolarHBondContact O-N 3.12Å; L25-L70 HydrophobicContact CD1-CD2 4.23Å
26C80.8Confident83.4Confident21 Ų2150.7 Ų50.714%0.14227%0.272CS..  trans-67.5138.3171.4-62.90000111.7L23 T30 R94 Q173L23-C26 WeakPolarHBondContact O-CB 3.46Å; L23-C26 PolarHBondContact O-N 3.03Å; L23-C26 PolarHBondContact O-SG 3.39Å; C26-T30 WeakPolarHBondContact CA-OG1 3.25Å; C26-R94 WeakPolarHBondContact SG-CD 3.47Å; C26-Q173 VanDerWaalsContact CB-CD 3.44Å; C26-Q173 HydrophobicContact CB-CG 4.42Å; C26-Q173 PolarHBondContact SG-OE1 3.15Å; C26-Q173 VanDerWaalsContact SG-OE1 3.38Å
27N82.9Confident85.2Confident70 Ų7048 Ų4837%0.37426%0.258SS..  trans-127.3-168.4169.768.712.7000110.6E29 T30 N96N27-E29 VanDerWaalsContact C-N 3.29Å; N27-E29 PolarHBondContact O-N 3.35Å; N27-E29 WeakPolarHBondContact OD1-CA 3.47Å; N27-E29 WeakPolarHBondContact OD1-CB 3.2Å; N27-E29 PolarHBondContact OD1-N 3.48Å; N27-T30 PolarHBondContact N-OG1 3.12Å; N27-T30 PolarHBondContact O-OG1 2.86Å; N27-T30 PolarHBondContact OD1-N 3.36Å; N27-T30 PolarHBondContact OD1-OG1 3.32Å; N27-T30 VanDerWaalsContact OD1-OG1 3.1Å; N27-N96 PolarHBondContact ND2-ND2 3.08Å; N27-N96 PolarHBondContact OD1-OD1 3.4Å
28T82.2Confident86.4Confident149 Ų14943.7 Ų43.791%0.91424%0.239SC*.THydrogen-bonded Turntrans-71.2-17.8177.642.70000114.5
29E84.1Confident86.9Confident106 Ų10646.5 Ų46.550%0.49525%0.245SC..THydrogen-bonded Turntrans-92.4-13.4178.7-57.6-176.7175.300112.8N27 R31 P97 S98N27-E29 VanDerWaalsContact C-N 3.29Å; N27-E29 PolarHBondContact O-N 3.35Å; N27-E29 WeakPolarHBondContact OD1-CA 3.47Å; N27-E29 WeakPolarHBondContact OD1-CB 3.2Å; N27-E29 PolarHBondContact OD1-N 3.48Å; E29-R31 PolarHBondContact O-N 3.03Å; E29-P97 VanDerWaalsContact O-CD 3.28Å; E29-P97 WeakPolarHBondContact O-CD 3.46Å; E29-S98 VanDerWaalsContact OE2-CB 3.29Å; E29-S98 WeakPolarHBondContact OE2-CB 3.5Å; E29-S98 PolarHBondContact OE2-OG 2.94Å
30T89.5Confident87.3Confident8 Ų843.5 Ų43.55%0.04923%0.233CC..  trans-58.8129.1-176.9-57.50000111.5L21 C26 N27 R94 V95 N96 P172L21-T30 HydrophobicContact CD1-CG2 4.38Å; C26-T30 WeakPolarHBondContact CA-OG1 3.25Å; N27-T30 PolarHBondContact N-OG1 3.12Å; N27-T30 PolarHBondContact O-OG1 2.86Å; N27-T30 PolarHBondContact OD1-N 3.36Å; N27-T30 PolarHBondContact OD1-OG1 3.32Å; N27-T30 VanDerWaalsContact OD1-OG1 3.1Å; T30-R94 HydrophobicContact CG2-CG 3.37Å; T30-V95 CarbonylContact C-O 3.58Å; T30-V95 WeakPolarHBondContact CA-O 3.24Å; T30-N96 WeakPolarHBondContact CA-OD1 3.49Å; T30-N96 WeakPolarHBondContact CB-OD1 3.44Å; T30-N96 PolarHBondContact OG1-OD1 3.41Å; T30-P172 HydrophobicContact CG2-CB 4.09Å; T30-P172 HydrophobicContact CG2-CG 4.15Å
31R90.2Very high87.6Confident60 Ų6045.5 Ų45.523%0.22624%0.242CC..EExtended strand (participates in β ladder)trans-120.2160.6176.2-64.9-66.9-67.3-79.80.3110.8E29 V95 P97 T132 Y165 L166E29-R31 PolarHBondContact O-N 3.03Å; R31-V95 HydrophobicContact CB-CG2 4.5Å; R31-V95 PolarHBondContact N-O 3.09Å; R31-V95 PolarHBondContact O-N 3.23Å; R31-P97 HydrophobicContact CB-CG 4.15Å; R31-P97 HydrophobicContact CG-CG 3.8Å; R31-T132 PolarHBondContact NH2-OG1 2.71Å; R31-T132 VanDerWaalsContact NH2-OG1 3.08Å; R31-Y165 HydrophobicContact CB-CD1 3.86Å; R31-Y165 HydrophobicContact CB-CE1 4.21Å; R31-Y165 HydrophobicContact CG-CD1 4.42Å; R31-L166 PolarHBondContact NH2-O 2.98Å
32L91.3Very high87.8Confident4 Ų449.1 Ų49.12%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-93.3130.9161.4-58176.3000109V18 I92 F93 R94 L166 L170 P172 T175V18-L32 HydrophobicContact CG1-CD2 3.86Å; L32-I92 HydrophobicContact CB-CG2 4.19Å; L32-I92 HydrophobicContact CD2-CG2 4.35Å; L32-F93 WeakPolarHBondContact CA-O 3.49Å; L32-R94 HydrophobicContact CD2-CB 4.19Å; L32-R94 HydrophobicContact CD2-CG 4.32Å; L32-L166 HydrophobicContact CB-CB 4.11Å; L32-L166 HydrophobicContact CB-CD1 3.75Å; L32-L166 HydrophobicContact CB-CG 4.47Å; L32-L166 HydrophobicContact CD1-CD1 4.23Å; L32-L166 PolarHBondContact O-N 3.07Å; L32-L170 HydrophobicContact CD1-CB 4.42Å; L32-P172 HydrophobicContact CD2-CB 3.92Å; L32-P172 HydrophobicContact CG-CB 4.07Å; L32-T175 HydrophobicContact CD1-CG2 3.88Å
33L92.3Very high88.2Confident0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-116.4120.3179.8176.368.6000108.8V35 F93 V95 L102 L125 I130 Y165L33-V35 HydrophobicContact CD2-CG2 3.98Å; L33-V35 HydrophobicContact CG-CG2 3.89Å; L33-F93 PolarHBondContact N-O 3.36Å; L33-F93 PolarHBondContact O-N 2.93Å; L33-V95 HydrophobicContact CB-CG1 4.12Å; L33-V95 HydrophobicContact CB-CG2 3.93Å; L33-V95 HydrophobicContact CD2-CG1 4.15Å; L33-V95 HydrophobicContact CD2-CG2 4.42Å; L33-L102 HydrophobicContact CD2-CD1 3.67Å; L33-L125 HydrophobicContact CD2-CD1 4.33Å; L33-L125 HydrophobicContact CD2-CD2 3.78Å; L33-I130 HydrophobicContact CD1-CD1 4.27Å; L33-I130 HydrophobicContact CD1-CG2 3.83Å; L33-Y165 HydrophobicContact CB-CD1 4.14Å; L33-Y165 HydrophobicContact CB-CE1 4.21Å; L33-Y165 HydrophobicContact CD1-CD1 3.84Å; L33-Y165 HydrophobicContact CD1-CE1 3.84Å; L33-Y165 HydrophobicContact CD1-CG 4.43Å; L33-Y165 HydrophobicContact CG-CE1 4.47Å
34R92Very high88.3Confident4 Ų443.3 Ų43.32%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-81.1125.3169.4176.4178.1-97.1161.9-3.3108.7E90 I92 E133 Y162 L163 A164 P181R34-E90 HydrophobicContact CG-CG 3.92Å; R34-E90 IonicContact CZ-OE1 3.36Å; R34-E90 VanDerWaalsContact NE-CD 3.31Å; R34-E90 IonicContact NE-OE1 2.7Å; R34-E90 PolarHBondContact NE-OE1 3.1Å; R34-E90 IonicContact NE-OE2 3.65Å; R34-E90 IonicContact NH2-OE1 2.72Å; R34-E90 PolarHBondContact NH2-OE1 2.75Å; R34-I92 HydrophobicContact CB-CD1 3.93Å; R34-I92 HydrophobicContact CG-CD1 4.14Å; R34-E133 WeakPolarHBondContact CD-OE1 3.21Å; R34-E133 IonicContact CZ-OE1 3.66Å; R34-E133 IonicContact CZ-OE2 3.73Å; R34-E133 IonicContact NE-OE1 3.81Å; R34-E133 IonicContact NH1-OE1 2.77Å; R34-E133 PolarHBondContact NH1-OE1 3.41Å; R34-E133 IonicContact NH1-OE2 2.79Å; R34-E133 PolarHBondContact NH1-OE2 3.45Å; R34-Y162 HydrophobicContact CG-CE1 4.38Å; R34-L163 WeakPolarHBondContact O-CA 3.13Å; R34-A164 PolarHBondContact N-O 3.39Å; R34-A164 PolarHBondContact O-N 3.42Å; R34-A164 VanDerWaalsContact O-N 3.08Å; R34-P181 PolarHBondContact NH2-O 3.2Å; R34-P181 VanDerWaalsContact NH2-O 3.07Å
35V93.5Very high88.7Confident0 Ų041.9 Ų41.90%021%0.209CC..EExtended strand (participates in β ladder)trans-123.2112.2179.8-179.10000108.1L33 L58 E90 F91 F93 L102 F104 L163L33-V35 HydrophobicContact CD2-CG2 3.98Å; L33-V35 HydrophobicContact CG-CG2 3.89Å; V35-L58 HydrophobicContact CG1-CD2 3.82Å; V35-E90 WeakPolarHBondContact O-CA 3.48Å; V35-F91 PolarHBondContact N-O 3.48Å; V35-F91 PolarHBondContact O-N 3.35Å; V35-F93 HydrophobicContact CB-CD2 4.26Å; V35-F93 HydrophobicContact CG2-CD2 3.83Å; V35-F93 HydrophobicContact CG2-CE2 4.44Å; V35-L102 HydrophobicContact CG2-CD1 4.03Å; V35-F104 HydrophobicContact CG1-CE1 3.72Å; V35-F104 HydrophobicContact CG1-CZ 3.82Å; V35-L163 HydrophobicContact CB-CD2 4.18Å; V35-L163 HydrophobicContact CG1-CD2 3.85Å; V35-L163 HydrophobicContact CG2-CD2 3.81Å
36R93.2Very high88.7Confident29 Ų2940.6 Ų40.611%0.10920%0.2CC..EExtended strand (participates in β ladder)trans-110.6118.5173.1-170.9-173.5-63.1172.52.6109.8I38 E89 E90 Y162 V184R36-I38 HydrophobicContact CG-CG1 4.45Å; R36-I38 PolarHBondContact O-N 3Å; R36-E89 CarbonylContact C-O 3.21Å; R36-E89 WeakPolarHBondContact CA-O 3.36Å; R36-E90 HydrophobicContact CB-CB 4.29Å; R36-E90 HydrophobicContact CB-CG 4.25Å; R36-E90 HydrophobicContact CG-CB 4.2Å; R36-E90 IonicContact CZ-OE2 3.21Å; R36-E90 IonicContact NE-OE2 2.85Å; R36-E90 PolarHBondContact NE-OE2 2.81Å; R36-E90 IonicContact NH2-OE2 2.73Å; R36-E90 PolarHBondContact NH2-OE2 3.02Å; R36-Y162 HydrophobicContact CB-CD1 4.35Å; R36-Y162 PolarHBondContact N-O 2.74Å; R36-Y162 PolarHBondContact O-N 2.91Å; R36-V184 PolarHBondContact NH1-O 3.37Å; R36-V184 PolarHBondContact NH2-O 3.25Å; R36-V184 VanDerWaalsContact NH2-O 3.15Å
37V94.9Very high87.9Confident0 Ų042.3 Ų42.30%021%0.207CC..EExtended strand (participates in β ladder)trans-86.3106.3174-174.50000107.6L58 T76 W87 N88 E89 F91 F104 L159 L161V37-L58 HydrophobicContact CG2-CD1 4.11Å; V37-L58 HydrophobicContact CG2-CD2 4.04Å; V37-L58 HydrophobicContact CG2-CG 4.42Å; V37-T76 HydrophobicContact CB-CG2 4.16Å; V37-T76 HydrophobicContact CG1-CG2 4.2Å; V37-T76 HydrophobicContact CG2-CG2 4.32Å; V37-W87 HydrophobicContact CG1-CD2 4.34Å; V37-W87 HydrophobicContact CG1-CE3 3.68Å; V37-W87 HydrophobicContact CG1-CZ3 4.13Å; V37-N88 VanDerWaalsContact O-CA 3.3Å; V37-N88 WeakPolarHBondContact O-CA 3.17Å; V37-N88 PolarHBondContact O-N 3.15Å; V37-E89 PolarHBondContact N-O 2.85Å; V37-E89 PolarHBondContact O-N 3.44Å; V37-E89 VanDerWaalsContact O-N 3.16Å; V37-F91 HydrophobicContact CG2-CD2 4.48Å; V37-F91 HydrophobicContact CG2-CE2 4.13Å; V37-F104 HydrophobicContact CG2-CD1 4.45Å; V37-F104 HydrophobicContact CG2-CE1 4.3Å; V37-L159 HydrophobicContact CG1-CD1 4.18Å; V37-L161 HydrophobicContact CB-CD2 4.28Å; V37-L161 HydrophobicContact CG1-CD2 4.2Å; V37-L161 HydrophobicContact CG2-CD2 3.96Å
38I93.8Very high86.4Confident29 Ų2942.2 Ų42.215%0.14921%0.206CC..EExtended strand (participates in β ladder)trans-84-65.9-169-60.7169.2000109.4R36 W87 N88 A141 H160R36-I38 HydrophobicContact CG-CG1 4.45Å; R36-I38 PolarHBondContact O-N 3Å; I38-W87 PolarHBondContact O-N 3.03Å; I38-N88 WeakPolarHBondContact CG2-OD1 3.48Å; I38-N88 PolarHBondContact O-N 2.78Å; I38-N88 VanDerWaalsContact O-N 3.08Å; I38-A141 HydrophobicContact CD1-CB 3.42Å; I38-A141 VanDerWaalsContact CD1-CB 3.42Å; I38-H160 HydrophobicContact CB-CB 4.22Å; I38-H160 WeakPolarHBondContact CB-O 3.28Å; I38-H160 PolarHBondContact N-O 3.32Å
39R95.2Very high84.7Confident96 Ų9642.5 Ų42.536%0.36220%0.195SC..EExtended strand (participates in β ladder)trans-157.6164.7-175.766.1174-176.8-175.8-1.2111.7P85 I86 H160R39-P85 CarbonylContact C-O 3.5Å; R39-P85 WeakPolarHBondContact CA-O 3.34Å; R39-P85 WeakPolarHBondContact CB-O 3.23Å; R39-I86 HydrophobicContact CB-CB 4.5Å; R39-I86 HydrophobicContact CB-CG1 4.08Å; R39-H160 HydrophobicContact CG-CB 3.85Å; R39-H160 PolarHBondContact O-N 2.87Å
40A95.1Very high83.5Confident0 Ų038.1 Ų38.10%018%0.179CC..EExtended strand (participates in β ladder)trans-113.8161.2156.300000110.8L43 N84 P85 W87 L106 N158 L159A40-L43 HydrophobicContact CB-CD1 4.05Å; A40-L43 HydrophobicContact CB-CD2 3.82Å; A40-L43 HydrophobicContact CB-CG 3.98Å; A40-N84 CarbonylContact O-C 3.55Å; A40-N84 VanDerWaalsContact O-CA 3.31Å; A40-N84 WeakPolarHBondContact O-CA 3.38Å; A40-P85 HydrophobicContact CB-CG 3.92Å; A40-P85 PolarHBondContact N-O 3.36Å; A40-W87 HydrophobicContact CB-CH2 3.91Å; A40-W87 HydrophobicContact CB-CZ3 3.81Å; A40-L106 HydrophobicContact CB-CD2 4.02Å; A40-N158 CarbonylContact C-O 3.57Å; A40-N158 VanDerWaalsContact CA-O 3.24Å; A40-N158 WeakPolarHBondContact CA-O 3.42Å; A40-L159 HydrophobicContact CB-CD1 4.42Å
41L90.9Very high82.7Confident49 Ų4939.3 Ų39.326%0.25719%0.189SC..EExtended strand (participates in β ladder)trans-132142.4178.3-66.8178.4000111.1L43 N84 G157 N158L41-L43 PolarHBondContact O-N 3.43Å; L41-N84 WeakPolarHBondContact CA-OD1 3.36Å; L41-N84 HydrophobicContact CD2-CB 4.33Å; L41-G157 CarbonylContact O-C 3.54Å; L41-G157 WeakPolarHBondContact O-CA 3.11Å; L41-N158 PolarHBondContact N-O 2.66Å; L41-N158 PolarHBondContact O-N 3.49Å
42D89Confident82.3Confident77 Ų7736.4 Ų36.441%0.41218%0.178SC..SBendtrans47.647.6178.7-161.348.6000115L83 N84 R156 G157D42-L83 PolarHBondContact N-O 3.23Å; D42-N84 PolarHBondContact N-OD1 2.98Å; D42-R156 CarbonylContact O-C 3.6Å; D42-R156 WeakPolarHBondContact O-CD 3.11Å; D42-R156 VanDerWaalsContact O-CG 3.31Å; D42-R156 WeakPolarHBondContact O-CG 3.44Å; D42-R156 PolarHBondContact O-NE 3.44Å; D42-R156 VanDerWaalsContact O-NE 3.12Å; D42-R156 IonicContact OD1-CZ 3.7Å; D42-R156 IonicContact OD1-NE 2.68Å; D42-R156 IonicContact OD1-NH1 2.84Å; D42-R156 PolarHBondContact OD1-NH1 2.89Å; D42-R156 IonicContact OD1-NH2 2.78Å; D42-R156 PolarHBondContact OD1-NH2 3.12Å; D42-R156 WeakPolarHBondContact OD2-CD 3.03Å; D42-R156 IonicContact OD2-CZ 3.99Å; D42-R156 IonicContact OD2-NE 2.94Å; D42-R156 IonicContact OD2-NH1 3.98Å; D42-R156 PolarHBondContact OD2-NH1 2.76Å; D42-R156 IonicContact OD2-NH2 3.5Å; D42-G157 WeakPolarHBondContact O-CA 3.47Å
43L90.1Very high82.2Confident0 Ų037.3 Ų37.30%018%0.183CC..PPolyproline II helixtrans-60.6156.7174.1-65-179.5000112A40 L41 P54 L83 P85 L106 L118 L146 R156A40-L43 HydrophobicContact CB-CD1 4.05Å; A40-L43 HydrophobicContact CB-CD2 3.82Å; A40-L43 HydrophobicContact CB-CG 3.98Å; L41-L43 PolarHBondContact O-N 3.43Å; L43-P54 HydrophobicContact CD1-CB 3.72Å; L43-P54 HydrophobicContact CD1-CG 3.92Å; L43-L83 HydrophobicContact CB-CB 4.41Å; L43-L83 PolarHBondContact N-O 3.18Å; L43-P85 HydrophobicContact CD1-CG 3.7Å; L43-L106 HydrophobicContact CD1-CD2 4.48Å; L43-L106 HydrophobicContact CD2-CD2 3.8Å; L43-L118 HydrophobicContact CD1-CD1 4.28Å; L43-L146 HydrophobicContact CD2-CD1 3.4Å; L43-L146 VanDerWaalsContact CD2-CD1 3.4Å; L43-R156 VanDerWaalsContact O-CZ 3.32Å; L43-R156 PolarHBondContact O-NE 2.96Å; L43-R156 PolarHBondContact O-NH2 2.62Å
44M83.7Confident82.3Confident23 Ų2337.3 Ų37.311%0.11318%0.183CC..PPolyproline II helixtrans-72.8135.1170.7-170.2161.2-71.900110.2K46 S52 L118 R154 R156M44-K46 HydrophobicContact CG-CD 4.46Å; M44-K46 PolarHBondContact SD-NZ 3.16Å; M44-S52 PolarHBondContact O-OG 3.22Å; M44-L118 WeakPolarHBondContact O-CD2 3.32Å; M44-R154 HydrophobicContact CE-CB 3.98Å; M44-R154 HydrophobicContact SD-CB 3.88Å; M44-R156 HydrophobicContact CB-CG 4.02Å; M44-R156 HydrophobicContact CE-CG 4.11Å
45K81.5Confident82.5Confident70 Ų7038.2 Ų38.230%0.30419%0.187SC..PPolyproline II helixtrans-71.4129.9165.5-179.3-173.2-177.5-114.50108.4D47 I48 G50 L83 R466K45-D47 WeakPolarHBondContact CE-O 3.39Å; K45-D47 WeakPolarHBondContact CG-O 3.3Å; K45-D47 PolarHBondContact NZ-O 2.84Å; K45-D47 VanDerWaalsContact NZ-O 3.11Å; K45-I48 PolarHBondContact NZ-O 3.32Å; K45-G50 WeakPolarHBondContact CE-O 3.26Å; K45-L83 HydrophobicContact CB-CD1 4.44Å; K45-L83 HydrophobicContact CB-CD2 4.2Å; K45-R466 PolarHBondContact NZ-O 3.32Å
46K76.9Confident82.7Confident57 Ų5738.2 Ų38.225%0.24819%0.187CC..  trans-110.1-47.3169.5-58-69.4-176.2-175.50111.1M44 I48 S52 D108 D116 F117 L118 R154M44-K46 HydrophobicContact CG-CD 4.46Å; M44-K46 PolarHBondContact SD-NZ 3.16Å; K46-I48 PolarHBondContact O-N 3.1Å; K46-S52 PolarHBondContact N-OG 3.11Å; K46-D108 WeakPolarHBondContact CB-OD2 3.42Å; K46-D116 HydrophobicContact CB-CB 3.92Å; K46-D116 HydrophobicContact CD-CB 4.43Å; K46-D116 HydrophobicContact CG-CB 3.84Å; K46-F117 VanDerWaalsContact CE-O 3.3Å; K46-F117 WeakPolarHBondContact CE-O 3.29Å; K46-L118 HydrophobicContact CD-CD2 4.44Å; K46-L118 HydrophobicContact CG-CD2 3.5Å; K46-R154 PolarHBondContact NZ-O 3.33Å
47D62.7Low82.8Confident57 Ų5739 Ų3931%0.30519%0.191SC..  trans-49.5128.6175.2-136.7-7.7000113.1K45K45-D47 WeakPolarHBondContact CE-O 3.39Å; K45-D47 WeakPolarHBondContact CG-O 3.3Å; K45-D47 PolarHBondContact NZ-O 2.84Å; K45-D47 VanDerWaalsContact NZ-O 3.11Å
48I53Low82.8Confident68 Ų6839 Ų3935%0.34919%0.191SC..SBendtrans-66.3-50.8176.2-70.6177.6000110.3K45 K46 E844K45-I48 PolarHBondContact NZ-O 3.32Å; K46-I48 PolarHBondContact O-N 3.1Å; I48-E844 VanDerWaalsContact CD1-CD 3.49Å; I48-E844 HydrophobicContact CD1-CG 3.62Å; I48-E844 WeakPolarHBondContact CD1-OE1 3.35Å
49F46.4Very low82.7Confident155 Ų15537.8 Ų37.868%0.6819%0.185SC*.SBendtrans-99.415.4-169.1-68.7-78.1000114.4
50G57.6Low82.6Confident15 Ų1533.2 Ų33.216%0.15517%0.168CC..SBendtrans-152.2174.5-179.600000113K45K45-G50 WeakPolarHBondContact CE-O 3.26Å
51A72.6Confident82.3Confident32 Ų3234.7 Ų34.726%0.26417%0.173SC..SBendtrans-80.9152.8148.100000107.5R81 L83A51-R81 HydrophobicContact CB-CB 4.46Å; A51-R81 WeakPolarHBondContact O-CA 3.39Å; A51-L83 HydrophobicContact CB-CD2 4.34Å; A51-L83 HydrophobicContact CB-CG 4.29Å
52S83.4Confident81.7Confident0 Ų036.3 Ų36.30%018%0.178CC..  trans-50.4150.7177.7-65.40000114.1M44 K46 P54 R81 S82 D108M44-S52 PolarHBondContact O-OG 3.22Å; K46-S52 PolarHBondContact N-OG 3.11Å; S52-P54 WeakPolarHBondContact O-CD 3.37Å; S52-R81 CarbonylContact O-C 3.6Å; S52-R81 WeakPolarHBondContact O-CA 3.45Å; S52-R81 PolarHBondContact O-N 3.48Å; S52-R81 VanDerWaalsContact O-N 3.08Å; S52-S82 PolarHBondContact O-N 2.89Å; S52-D108 VanDerWaalsContact CA-OD1 3.24Å; S52-D108 WeakPolarHBondContact CA-OD1 3.2Å; S52-D108 WeakPolarHBondContact CA-OD2 3.49Å; S52-D108 VanDerWaalsContact CB-OD1 3.25Å; S52-D108 WeakPolarHBondContact CB-OD1 3.37Å; S52-D108 WeakPolarHBondContact CB-OD2 3.23Å; S52-D108 PolarHBondContact OG-OD2 3.28Å
53D89.3Confident80.8Confident22 Ų2235.4 Ų35.412%0.11818%0.175CC..  trans-99.372.9166.4-85.315.3000108.9T78 V79 K80 R81 D108 E109D53-T78 HydrophobicContact CB-CG2 3.86Å; D53-T78 WeakPolarHBondContact O-CG2 3.48Å; D53-V79 CarbonylContact C-O 3.55Å; D53-V79 WeakPolarHBondContact CA-O 3.32Å; D53-K80 WeakPolarHBondContact OD1-CA 3.27Å; D53-K80 VanDerWaalsContact OD1-CB 3.3Å; D53-K80 WeakPolarHBondContact OD1-CB 3.49Å; D53-K80 VanDerWaalsContact OD2-CD 3.25Å; D53-K80 WeakPolarHBondContact OD2-CD 3.22Å; D53-K80 WeakPolarHBondContact OD2-CE 3.33Å; D53-K80 VanDerWaalsContact OD2-CG 3.29Å; D53-K80 WeakPolarHBondContact OD2-CG 3.21Å; D53-K80 IonicContact OD2-NZ 2.84Å; D53-R81 PolarHBondContact OD1-N 3.37Å; D53-D108 PolarHBondContact N-OD1 3.16Å; D53-E109 HydrophobicContact CB-CB 4.46Å; D53-E109 PolarHBondContact O-N 2.82Å
54P93.9Very high79.3Confident0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-75.7146.6-172.531-42000116.4L43 S52 V79 S82 P85 W87 Y107 L118L43-P54 HydrophobicContact CD1-CB 3.72Å; L43-P54 HydrophobicContact CD1-CG 3.92Å; S52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-V79 WeakPolarHBondContact CD-O 3.48Å; P54-V79 PolarHBondContact O-N 2.68Å; P54-S82 WeakPolarHBondContact CD-O 3.49Å; P54-S82 VanDerWaalsContact CG-O 3.25Å; P54-S82 WeakPolarHBondContact CG-O 3.45Å; P54-P85 HydrophobicContact CB-CG 4.19Å; P54-P85 HydrophobicContact CG-CB 3.66Å; P54-P85 HydrophobicContact CG-CG 3.57Å; P54-W87 HydrophobicContact CB-CZ2 4.25Å; P54-Y107 CarbonylContact C-O 3.56Å; P54-Y107 VanDerWaalsContact CA-O 3.25Å; P54-Y107 WeakPolarHBondContact CA-O 3.42Å; P54-L118 HydrophobicContact CB-CD1 3.7Å
55Y96.3Very high78.2Confident24 Ų2447.9 Ų47.99%0.09423%0.225CC..EExtended strand (participates in β ladder)trans-140.6168.6165.877.4-79.4000111.8K57 P75 L106 Y107 E109 D115Y55-K57 HydrophobicContact CD2-CG 4.43Å; Y55-K57 HydrophobicContact CE2-CD 4.29Å; Y55-K57 HydrophobicContact CE2-CG 3.84Å; Y55-K57 WeakPolarHBondContact OH-CE 3.46Å; Y55-K57 PolarHBondContact OH-NZ 2.87Å; Y55-P75 HydrophobicContact CD2-CB 4.14Å; Y55-P75 HydrophobicContact CE2-CB 4.24Å; Y55-L106 WeakPolarHBondContact O-CA 3.37Å; Y55-Y107 WeakPolarHBondContact CD1-O 3.22Å; Y55-Y107 VanDerWaalsContact CE1-CB 3.43Å; Y55-Y107 HydrophobicContact CE1-CG 4.48Å; Y55-Y107 PolarHBondContact N-O 3.43Å; Y55-Y107 PolarHBondContact O-N 2.88Å; Y55-E109 HydrophobicContact CD1-CB 4.09Å; Y55-E109 HydrophobicContact CE1-CB 4.18Å; Y55-D115 HydrophobicContact CE1-CB 4.45Å; Y55-D115 PolarHBondContact OH-OD2 3.25Å
56C96.5Very high77.6Confident0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-128128.8-176.31790000111.3P75 T76 W87 E105 L106C56-P75 CarbonylContact O-C 3.42Å; C56-P75 WeakPolarHBondContact O-CA 3.31Å; C56-T76 HydrophobicContact CB-CG2 4Å; C56-T76 PolarHBondContact N-OG1 3.27Å; C56-T76 PolarHBondContact O-N 2.79Å; C56-W87 HydrophobicContact CB-CH2 4.46Å; C56-W87 HydrophobicContact CB-CZ2 4.48Å; C56-E105 CarbonylContact C-O 3.53Å; C56-E105 WeakPolarHBondContact CA-O 3.32Å; C56-L106 HydrophobicContact CB-CD1 4.23Å; C56-L106 HydrophobicContact CB-CG 4.22Å
57K95.3Very high77.4Confident46 Ų4647.8 Ų47.820%0.224%0.236CC..EExtended strand (participates in β ladder)trans-97.2127.7172-65.6176.2-171.71490110.4Y55 F104 E105 Y107 D115Y55-K57 HydrophobicContact CD2-CG 4.43Å; Y55-K57 HydrophobicContact CE2-CD 4.29Å; Y55-K57 HydrophobicContact CE2-CG 3.84Å; Y55-K57 WeakPolarHBondContact OH-CE 3.46Å; Y55-K57 PolarHBondContact OH-NZ 2.87Å; K57-F104 CarbonylContact O-C 3.55Å; K57-F104 WeakPolarHBondContact O-CA 3.4Å; K57-E105 HydrophobicContact CB-CB 4.5Å; K57-E105 PolarHBondContact N-O 3.48Å; K57-E105 PolarHBondContact O-N 2.86Å; K57-Y107 HydrophobicContact CD-CD2 3.85Å; K57-Y107 HydrophobicContact CD-CE2 3.71Å; K57-Y107 HydrophobicContact CG-CD2 4.21Å; K57-Y107 HydrophobicContact CG-CE2 4.4Å; K57-D115 IonicContact NZ-OD2 2.67Å
58L95.5Very high78.2Confident0 Ų051.2 Ų51.20%025%0.254CS..EExtended strand (participates in β ladder)trans-100.4121.7175.7-64.479.9000109.1V35 V37 V74 T76 F91 F93 F104V35-L58 HydrophobicContact CG1-CD2 3.82Å; V37-L58 HydrophobicContact CG2-CD1 4.11Å; V37-L58 HydrophobicContact CG2-CD2 4.04Å; V37-L58 HydrophobicContact CG2-CG 4.42Å; L58-V74 HydrophobicContact CB-CB 4.44Å; L58-V74 VanDerWaalsContact CD1-O 3.25Å; L58-V74 WeakPolarHBondContact CD1-O 3.32Å; L58-V74 PolarHBondContact N-O 3.47Å; L58-V74 PolarHBondContact O-N 3.34Å; L58-T76 HydrophobicContact CD1-CG2 4.29Å; L58-F91 HydrophobicContact CD1-CD2 4.35Å; L58-F91 HydrophobicContact CD1-CE2 3.93Å; L58-F91 HydrophobicContact CD1-CZ 4.2Å; L58-F91 HydrophobicContact CD2-CD2 3.66Å; L58-F91 HydrophobicContact CD2-CE2 4.06Å; L58-F91 HydrophobicContact CD2-CG 4.16Å; L58-F93 HydrophobicContact CB-CE2 4.3Å; L58-F93 HydrophobicContact CB-CZ 3.81Å; L58-F93 HydrophobicContact CD2-CE2 3.73Å; L58-F93 HydrophobicContact CD2-CZ 4.11Å; L58-F104 HydrophobicContact CD2-CD1 4.19Å; L58-F104 HydrophobicContact CD2-CE1 3.7Å; L58-F104 HydrophobicContact CG-CD1 3.82Å; L58-F104 HydrophobicContact CG-CE1 3.86Å
59C92.6Very high79.6Confident3 Ų350.4 Ų50.42%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-123.4147.4177.5-59.90000110.2Y61 L102 V103C59-Y61 HydrophobicContact CB-CD2 4.4Å; C59-Y61 HydrophobicContact CB-CE2 3.58Å; C59-L102 CarbonylContact O-C 3.5Å; C59-L102 WeakPolarHBondContact O-CA 3.43Å; C59-V103 HydrophobicContact CB-CB 4.36Å; C59-V103 PolarHBondContact N-O 3.29Å; C59-V103 PolarHBondContact O-N 3.36Å
60I91.4Very high81.4Confident0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-123138.2175.6-175.7169.8000110.4P69 L70 C71 F93 V95 N100 R101 L102I60-P69 CarbonylContact O-C 3.22Å; I60-P69 WeakPolarHBondContact O-CA 3.33Å; I60-P69 WeakPolarHBondContact O-CB 3.46Å; I60-L70 HydrophobicContact CG1-CD1 4.31Å; I60-L70 HydrophobicContact CG2-CB 3.93Å; I60-L70 PolarHBondContact O-N 3.48Å; I60-C71 VanDerWaalsContact CG2-SG 3.57Å; I60-F93 HydrophobicContact CG2-CD1 4.38Å; I60-F93 HydrophobicContact CG2-CE1 4.46Å; I60-V95 HydrophobicContact CD1-CB 4.36Å; I60-V95 HydrophobicContact CD1-CG1 3.68Å; I60-N100 HydrophobicContact CD1-CB 4.37Å; I60-N100 HydrophobicContact CG1-CB 4.33Å; I60-R101 WeakPolarHBondContact CA-O 3.37Å; I60-L102 HydrophobicContact CB-CD2 4.05Å; I60-L102 HydrophobicContact CG1-CD2 4.38Å
61Y89.5Confident82.7Confident30 Ų3045.1 Ų45.112%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-130.2144-176.9-64.9-96.4000110.6C59 T63 S66 T67 L68 P69 N100 R101 V103C59-Y61 HydrophobicContact CB-CD2 4.4Å; C59-Y61 HydrophobicContact CB-CE2 3.58Å; Y61-T63 PolarHBondContact O-N 2.74Å; Y61-S66 VanDerWaalsContact CD1-O 3.31Å; Y61-S66 WeakPolarHBondContact CD1-O 3.36Å; Y61-T67 WeakPolarHBondContact CE1-O 3.47Å; Y61-L68 VanDerWaalsContact CD1-O 3.24Å; Y61-L68 WeakPolarHBondContact CD1-O 3.16Å; Y61-P69 HydrophobicContact CD1-CB 4.36Å; Y61-P69 HydrophobicContact CE1-CB 3.98Å; Y61-N100 WeakPolarHBondContact O-CA 3.45Å; Y61-R101 PolarHBondContact N-O 3.09Å; Y61-R101 PolarHBondContact O-N 2.91Å; Y61-R101 VanDerWaalsContact O-N 3.07Å; Y61-V103 HydrophobicContact CD2-CB 4.37Å; Y61-V103 HydrophobicContact CD2-CG2 3.65Å; Y61-V103 HydrophobicContact CE2-CB 3.95Å; Y61-V103 HydrophobicContact CE2-CG2 3.59Å
62K78.7Confident83.2Confident83 Ų8347.9 Ų47.936%0.36125%0.247SC..SBendtrans-65.3-40.9-173.9-166.1177.4176-179.20113.3L70 E99 N100K62-L70 HydrophobicContact CB-CD1 3.96Å; K62-L70 HydrophobicContact CB-CD2 4.16Å; K62-L70 HydrophobicContact CB-CG 4.16Å; K62-L70 HydrophobicContact CG-CD1 4.46Å; K62-E99 VanDerWaalsContact CE-CD 3.5Å; K62-E99 WeakPolarHBondContact CE-OE1 3.47Å; K62-E99 VanDerWaalsContact CE-OE2 3.31Å; K62-E99 WeakPolarHBondContact CE-OE2 3.1Å; K62-E99 IonicContact NZ-OE1 2.71Å; K62-E99 CarbonylContact O-C 3.54Å; K62-E99 WeakPolarHBondContact O-CB 3.33Å; K62-N100 PolarHBondContact O-ND2 3.23Å
63T69.5Low83.5Confident58 Ų5851.1 Ų51.136%0.35627%0.268SS..SBendtrans-144.4173.7-174.465.40000112Y61 R65 S66 R101Y61-T63 PolarHBondContact O-N 2.74Å; T63-R65 PolarHBondContact O-N 3.14Å; T63-R65 PolarHBondContact OG1-N 3.07Å; T63-S66 PolarHBondContact O-N 2.68Å; T63-S66 PolarHBondContact OG1-N 3.15Å; T63-R101 PolarHBondContact O-NE 3.38Å; T63-R101 VanDerWaalsContact O-NE 3.12Å
64Q58.3Low83.6Confident76 Ų7650.5 Ų50.536%0.35527%0.265SS..THydrogen-bonded Turntrans-53.8-38.3171.2-63.9-171.7-3.300112.9F124 Y127Q64-F124 HydrophobicContact CG-CD1 4.39Å; Q64-F124 HydrophobicContact CG-CE1 4.01Å; Q64-Y127 PolarHBondContact NE2-OH 2.76Å
65R62.3Low83.6Confident210 Ų21054 Ų5479%0.79229%0.288SS*.THydrogen-bonded Turntrans-90-7.4-176.5-68.6-174.7176.9-175.6-1.5114.6T63 T67T63-R65 PolarHBondContact O-N 3.14Å; T63-R65 PolarHBondContact OG1-N 3.07Å; R65-T67 PolarHBondContact O-N 2.93Å
66S68.7Low83.6Confident30 Ų3053.2 Ų53.221%0.2129%0.286CS..  trans-70.8120.4-178.6-164.10000111.4Y61 T63 L68 R101Y61-S66 VanDerWaalsContact CD1-O 3.31Å; Y61-S66 WeakPolarHBondContact CD1-O 3.36Å; T63-S66 PolarHBondContact O-N 2.68Å; T63-S66 PolarHBondContact OG1-N 3.15Å; S66-L68 PolarHBondContact OG-O 2.87Å; S66-R101 PolarHBondContact O-NH2 2.92Å
67T73.1Confident83.4Confident94 Ų9459.1 Ų59.158%0.57731%0.311SS*.  trans-89-23.9172.550.20000113Y61 R65Y61-T67 WeakPolarHBondContact CE1-O 3.47Å; R65-T67 PolarHBondContact O-N 2.93Å
68L78.7Confident83.3Confident130 Ų13058.8 Ų58.868%0.68131%0.313SS*.SBendtrans-91136.3174.2-65.6174.4000110.6Y61 S66Y61-L68 VanDerWaalsContact CD1-O 3.24Å; Y61-L68 WeakPolarHBondContact CD1-O 3.16Å; S66-L68 PolarHBondContact OG-O 2.87Å
69P83.4Confident83Confident50 Ų5060.5 Ų60.533%0.32532%0.324SS..BIsolated β-bridgetrans-78.3154.517333.8-35.1000111.5I60 Y61 C71I60-P69 CarbonylContact O-C 3.22Å; I60-P69 WeakPolarHBondContact O-CA 3.33Å; I60-P69 WeakPolarHBondContact O-CB 3.46Å; Y61-P69 HydrophobicContact CD1-CB 4.36Å; Y61-P69 HydrophobicContact CE1-CB 3.98Å; P69-C71 VanDerWaalsContact C-N 3.35Å
70L83.9Confident82.8Confident32 Ų3265.9 Ų65.917%0.16835%0.346CS..SBendtrans-78.3-15.5-179.5-79.6170.1000114.1L21 L25 I60 K62L21-L70 HydrophobicContact CD2-CD1 3.75Å; L21-L70 HydrophobicContact CD2-CD2 4.15Å; L21-L70 HydrophobicContact CG-CD1 4.2Å; L25-L70 HydrophobicContact CD1-CD2 4.23Å; I60-L70 HydrophobicContact CG1-CD1 4.31Å; I60-L70 HydrophobicContact CG2-CB 3.93Å; I60-L70 PolarHBondContact O-N 3.48Å; K62-L70 HydrophobicContact CB-CD1 3.96Å; K62-L70 HydrophobicContact CB-CD2 4.16Å; K62-L70 HydrophobicContact CB-CG 4.16Å; K62-L70 HydrophobicContact CG-CD1 4.46Å
71C83.7Confident82.4Confident27 Ų2774.7 Ų74.718%0.18238%0.38CS..SBendtrans-148.3173.9172.570.10000110.1I60 P69I60-C71 VanDerWaalsContact CG2-SG 3.57Å; P69-C71 VanDerWaalsContact C-N 3.35Å
72S83.2Confident82.3Confident90 Ų9074.7 Ų74.763%0.62938%0.384SS*.  trans-57.9143.4168.541.30000111.4V74S72-V74 PolarHBondContact O-N 2.73Å
73P89.7Confident82.9Confident69 Ų6972.6 Ų72.645%0.44838%0.377SS..  trans-58.8134.2172.1-26.336000112.1
74V92Very high83.9Confident8 Ų873.8 Ų73.85%0.04838%0.381CS..EExtended strand (participates in β ladder)trans-105.9113.4-177.7-170.30000109.5Y19 L58 S72 F91 F93Y19-V74 HydrophobicContact CD1-CG1 4.31Å; Y19-V74 HydrophobicContact CD1-CG2 3.42Å; Y19-V74 VanDerWaalsContact CD1-CG2 3.42Å; Y19-V74 HydrophobicContact CD2-CG1 4.48Å; Y19-V74 HydrophobicContact CD2-CG2 4.35Å; Y19-V74 HydrophobicContact CE1-CG1 3.88Å; Y19-V74 HydrophobicContact CE1-CG2 3.77Å; Y19-V74 HydrophobicContact CE2-CG1 4.08Å; Y19-V74 HydrophobicContact CG-CG2 3.73Å; L58-V74 HydrophobicContact CB-CB 4.44Å; L58-V74 VanDerWaalsContact CD1-O 3.25Å; L58-V74 WeakPolarHBondContact CD1-O 3.32Å; L58-V74 PolarHBondContact N-O 3.47Å; L58-V74 PolarHBondContact O-N 3.34Å; S72-V74 PolarHBondContact O-N 2.73Å; V74-F91 HydrophobicContact CG1-CD1 3.62Å; V74-F91 HydrophobicContact CG1-CE1 3.55Å; V74-F93 HydrophobicContact CB-CZ 4.44Å; V74-F93 HydrophobicContact CG2-CE1 4.39Å; V74-F93 HydrophobicContact CG2-CZ 4.13Å
75P94.2Very high85.6Confident75 Ų7570.1 Ų70.149%0.48736%0.364SS..EExtended strand (participates in β ladder)trans-86.5148.2-18033.7-34.2000112.9Y55 C56Y55-P75 HydrophobicContact CD2-CB 4.14Å; Y55-P75 HydrophobicContact CE2-CB 4.24Å; C56-P75 CarbonylContact O-C 3.42Å; C56-P75 WeakPolarHBondContact O-CA 3.31Å
76T95.2Very high87.1Confident7 Ų765.1 Ų65.14%0.04335%0.352CS..PPolyproline II helixtrans-71.2166.8154.366.10000110.2V37 C56 L58 W87 F91V37-T76 HydrophobicContact CB-CG2 4.16Å; V37-T76 HydrophobicContact CG1-CG2 4.2Å; V37-T76 HydrophobicContact CG2-CG2 4.32Å; C56-T76 HydrophobicContact CB-CG2 4Å; C56-T76 PolarHBondContact N-OG1 3.27Å; C56-T76 PolarHBondContact O-N 2.79Å; L58-T76 HydrophobicContact CD1-CG2 4.29Å; T76-W87 HydrophobicContact CG2-CG 4.32Å; T76-W87 PolarHBondContact OG1-NE1 3.03Å; T76-F91 HydrophobicContact CG2-CE2 4.14Å; T76-F91 HydrophobicContact CG2-CZ 4.1Å
77K92.3Very high88.3Confident124 Ų12464.7 Ų64.754%0.53935%0.345SS..PPolyproline II helixtrans-57.5156.3158.9-64.4169.2-168.4124.40111.1W87 E89K77-W87 PolarHBondContact O-NE1 3.22Å; K77-E89 WeakPolarHBondContact CB-OE1 3.38Å; K77-E89 WeakPolarHBondContact CE-OE2 3.47Å; K77-E89 VanDerWaalsContact CG-OE1 3.29Å; K77-E89 WeakPolarHBondContact CG-OE1 3.47Å; K77-E89 PolarHBondContact N-OE1 2.64Å; K77-E89 IonicContact NZ-OE2 2.73Å; K77-E89 PolarHBondContact NZ-OE2 2.83Å
78T93Very high89.1Confident39 Ų3964.8 Ų64.824%0.23934%0.342CS..PPolyproline II helixtrans-75.6134.8163.4-34.90000111.4D53 E109D53-T78 HydrophobicContact CB-CG2 3.86Å; D53-T78 WeakPolarHBondContact O-CG2 3.48Å; T78-E109 WeakPolarHBondContact CB-OE2 3.3Å; T78-E109 HydrophobicContact CG2-CB 3.63Å; T78-E109 HydrophobicContact CG2-CG 4.49Å; T78-E109 VanDerWaalsContact CG2-OE2 3.25Å; T78-E109 WeakPolarHBondContact CG2-OE2 3.12Å; T78-E109 PolarHBondContact OG1-OE2 3.47Å
79V89.9Confident89.7Confident36 Ų3659.8 Ų59.822%0.21832%0.315CS..  trans-104.4125.2166.6173.70000107.3D53 P54 P85 W87D53-V79 CarbonylContact C-O 3.55Å; D53-V79 WeakPolarHBondContact CA-O 3.32Å; P54-V79 WeakPolarHBondContact CD-O 3.48Å; P54-V79 PolarHBondContact O-N 2.68Å; V79-P85 HydrophobicContact CB-CB 3.72Å; V79-P85 HydrophobicContact CG1-CB 3.91Å; V79-P85 HydrophobicContact CG2-CB 4.07Å; V79-W87 HydrophobicContact CG2-CG 4.34Å
80K88.3Confident89.9Confident115 Ų11558.8 Ų58.850%0.531%0.307SS..  trans-85.1143.2-171.8-58.9-159165.8-173.60113.5D53 S82D53-K80 WeakPolarHBondContact OD1-CA 3.27Å; D53-K80 VanDerWaalsContact OD1-CB 3.3Å; D53-K80 WeakPolarHBondContact OD1-CB 3.49Å; D53-K80 VanDerWaalsContact OD2-CD 3.25Å; D53-K80 WeakPolarHBondContact OD2-CD 3.22Å; D53-K80 WeakPolarHBondContact OD2-CE 3.33Å; D53-K80 VanDerWaalsContact OD2-CG 3.29Å; D53-K80 WeakPolarHBondContact OD2-CG 3.21Å; D53-K80 IonicContact OD2-NZ 2.84Å; K80-S82 PolarHBondContact O-N 2.82Å
81R83.6Confident90.3Very high186 Ų18658.1 Ų58.170%0.70230%0.302SS*.SBendtrans48.149.3172-61.2179.3174-177.5-6114.1A51 S52 D53A51-R81 HydrophobicContact CB-CB 4.46Å; A51-R81 WeakPolarHBondContact O-CA 3.39Å; S52-R81 CarbonylContact O-C 3.6Å; S52-R81 WeakPolarHBondContact O-CA 3.45Å; S52-R81 PolarHBondContact O-N 3.48Å; S52-R81 VanDerWaalsContact O-N 3.08Å; D53-R81 PolarHBondContact OD1-N 3.37Å
82S87.9Confident90.7Very high29 Ų2956.8 Ų56.820%0.20329%0.294CS..  trans-139.3126.2-178.4-172.80000113S52 P54 K80 N84S52-S82 PolarHBondContact O-N 2.89Å; P54-S82 WeakPolarHBondContact CD-O 3.49Å; P54-S82 VanDerWaalsContact CG-O 3.25Å; P54-S82 WeakPolarHBondContact CG-O 3.45Å; K80-S82 PolarHBondContact O-N 2.82Å; S82-N84 VanDerWaalsContact C-N 3.26Å; S82-N84 PolarHBondContact OG-N 3.4Å; S82-N84 PolarHBondContact OG-O 2.99Å
83L89.4Confident91.1Very high40 Ų4052.5 Ų52.521%0.20926%0.264CS..SBendtrans-84.5-1.7166.6-53.7-177.4000112.6D42 L43 K45 A51D42-L83 PolarHBondContact N-O 3.23Å; L43-L83 HydrophobicContact CB-CB 4.41Å; L43-L83 PolarHBondContact N-O 3.18Å; K45-L83 HydrophobicContact CB-CD1 4.44Å; K45-L83 HydrophobicContact CB-CD2 4.2Å; A51-L83 HydrophobicContact CB-CD2 4.34Å; A51-L83 HydrophobicContact CB-CG 4.29Å
84N91.5Very high91.2Very high82 Ų8250.3 Ų50.344%0.43925%0.246SC..SBendtrans-133.360.1178.2-60.2-75.5000110A40 L41 D42 S82A40-N84 CarbonylContact O-C 3.55Å; A40-N84 VanDerWaalsContact O-CA 3.31Å; A40-N84 WeakPolarHBondContact O-CA 3.38Å; L41-N84 WeakPolarHBondContact CA-OD1 3.36Å; L41-N84 HydrophobicContact CD2-CB 4.33Å; D42-N84 PolarHBondContact N-OD1 2.98Å; S82-N84 VanDerWaalsContact C-N 3.26Å; S82-N84 PolarHBondContact OG-N 3.4Å; S82-N84 PolarHBondContact OG-O 2.99Å
85P93.7Very high91.2Very high0 Ų050 Ų500%024%0.244CC..  trans-68.3142.9-173.730.9-38.6000111.7R39 A40 L43 P54 V79 W87R39-P85 CarbonylContact C-O 3.5Å; R39-P85 WeakPolarHBondContact CA-O 3.34Å; R39-P85 WeakPolarHBondContact CB-O 3.23Å; A40-P85 HydrophobicContact CB-CG 3.92Å; A40-P85 PolarHBondContact N-O 3.36Å; L43-P85 HydrophobicContact CD1-CG 3.7Å; P54-P85 HydrophobicContact CB-CG 4.19Å; P54-P85 HydrophobicContact CG-CB 3.66Å; P54-P85 HydrophobicContact CG-CG 3.57Å; V79-P85 HydrophobicContact CB-CB 3.72Å; V79-P85 HydrophobicContact CG1-CB 3.91Å; V79-P85 HydrophobicContact CG2-CB 4.07Å; P85-W87 HydrophobicContact CB-CD2 4.43Å; P85-W87 HydrophobicContact CB-CH2 4.14Å; P85-W87 HydrophobicContact CB-CZ2 3.85Å; P85-W87 HydrophobicContact CG-CE3 4.48Å; P85-W87 HydrophobicContact CG-CH2 3.42Å; P85-W87 VanDerWaalsContact CG-CH2 3.42Å; P85-W87 HydrophobicContact CG-CZ2 3.56Å; P85-W87 HydrophobicContact CG-CZ3 3.91Å
86I93.6Very high91Very high105 Ų10546.6 Ų46.654%0.53822%0.222SC..EExtended strand (participates in β ladder)trans-117.9116.3173.6-56.2175000107.2R39R39-I86 HydrophobicContact CB-CB 4.5Å; R39-I86 HydrophobicContact CB-CG1 4.08Å
87W94Very high90.7Very high20 Ų2047.7 Ų47.78%0.07623%0.229CC..EExtended strand (participates in β ladder)trans-100.4-48.2-179.9-62.8-77.2000111.2V37 I38 A40 P54 C56 T76 K77 V79 P85 E89 L106 L159V37-W87 HydrophobicContact CG1-CD2 4.34Å; V37-W87 HydrophobicContact CG1-CE3 3.68Å; V37-W87 HydrophobicContact CG1-CZ3 4.13Å; I38-W87 PolarHBondContact O-N 3.03Å; A40-W87 HydrophobicContact CB-CH2 3.91Å; A40-W87 HydrophobicContact CB-CZ3 3.81Å; P54-W87 HydrophobicContact CB-CZ2 4.25Å; C56-W87 HydrophobicContact CB-CH2 4.46Å; C56-W87 HydrophobicContact CB-CZ2 4.48Å; T76-W87 HydrophobicContact CG2-CG 4.32Å; T76-W87 PolarHBondContact OG1-NE1 3.03Å; K77-W87 PolarHBondContact O-NE1 3.22Å; V79-W87 HydrophobicContact CG2-CG 4.34Å; P85-W87 HydrophobicContact CB-CD2 4.43Å; P85-W87 HydrophobicContact CB-CH2 4.14Å; P85-W87 HydrophobicContact CB-CZ2 3.85Å; P85-W87 HydrophobicContact CG-CE3 4.48Å; P85-W87 HydrophobicContact CG-CH2 3.42Å; P85-W87 VanDerWaalsContact CG-CH2 3.42Å; P85-W87 HydrophobicContact CG-CZ2 3.56Å; P85-W87 HydrophobicContact CG-CZ3 3.91Å; W87-E89 HydrophobicContact CB-CG 4.36Å; W87-E89 WeakPolarHBondContact O-CG 3.39Å; W87-E89 PolarHBondContact O-N 3.35Å; W87-L106 HydrophobicContact CH2-CD2 4.03Å; W87-L106 HydrophobicContact CH2-CG 4.44Å; W87-L159 HydrophobicContact CZ3-CD1 3.99Å
88N90.2Very high90.4Very high96 Ų9644.5 Ų44.551%0.51322%0.223SC..EExtended strand (participates in β ladder)trans48.434.9-170.5-74-30.9000113.7V37 I38V37-N88 VanDerWaalsContact O-CA 3.3Å; V37-N88 WeakPolarHBondContact O-CA 3.17Å; V37-N88 PolarHBondContact O-N 3.15Å; I38-N88 WeakPolarHBondContact CG2-OD1 3.48Å; I38-N88 PolarHBondContact O-N 2.78Å; I38-N88 VanDerWaalsContact O-N 3.08Å
89E90.3Very high90Very high25 Ų2545.7 Ų45.712%0.11723%0.226CC..EExtended strand (participates in β ladder)trans-96141.2-179.6-62.5-157.6-80.100111.5R36 V37 K77 W87 F91R36-E89 CarbonylContact C-O 3.21Å; R36-E89 WeakPolarHBondContact CA-O 3.36Å; V37-E89 PolarHBondContact N-O 2.85Å; V37-E89 PolarHBondContact O-N 3.44Å; V37-E89 VanDerWaalsContact O-N 3.16Å; K77-E89 WeakPolarHBondContact CB-OE1 3.38Å; K77-E89 WeakPolarHBondContact CE-OE2 3.47Å; K77-E89 VanDerWaalsContact CG-OE1 3.29Å; K77-E89 WeakPolarHBondContact CG-OE1 3.47Å; K77-E89 PolarHBondContact N-OE1 2.64Å; K77-E89 IonicContact NZ-OE2 2.73Å; K77-E89 PolarHBondContact NZ-OE2 2.83Å; W87-E89 HydrophobicContact CB-CG 4.36Å; W87-E89 WeakPolarHBondContact O-CG 3.39Å; W87-E89 PolarHBondContact O-N 3.35Å; E89-F91 HydrophobicContact CB-CE2 4.12Å; E89-F91 HydrophobicContact CB-CZ 4.18Å
90E89.4Confident90.1Very high30 Ų3044 Ų4414%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-123.3137.9-169.6-172.4175113.100111.7R34 V35 R36 L183R34-E90 HydrophobicContact CG-CG 3.92Å; R34-E90 IonicContact CZ-OE1 3.36Å; R34-E90 VanDerWaalsContact NE-CD 3.31Å; R34-E90 IonicContact NE-OE1 2.7Å; R34-E90 PolarHBondContact NE-OE1 3.1Å; R34-E90 IonicContact NE-OE2 3.65Å; R34-E90 IonicContact NH2-OE1 2.72Å; R34-E90 PolarHBondContact NH2-OE1 2.75Å; V35-E90 WeakPolarHBondContact O-CA 3.48Å; R36-E90 HydrophobicContact CB-CB 4.29Å; R36-E90 HydrophobicContact CB-CG 4.25Å; R36-E90 HydrophobicContact CG-CB 4.2Å; R36-E90 IonicContact CZ-OE2 3.21Å; R36-E90 IonicContact NE-OE2 2.85Å; R36-E90 PolarHBondContact NE-OE2 2.81Å; R36-E90 IonicContact NH2-OE2 2.73Å; R36-E90 PolarHBondContact NH2-OE2 3.02Å; E90-L183 VanDerWaalsContact CD-CD2 3.45Å; E90-L183 VanDerWaalsContact OE1-CD2 3.27Å; E90-L183 WeakPolarHBondContact OE1-CD2 3.47Å; E90-L183 VanDerWaalsContact OE2-CD2 3.25Å; E90-L183 WeakPolarHBondContact OE2-CD2 3.45Å
91F91.8Very high90.2Very high17 Ų1740.4 Ų40.48%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-133.7145.1-175.1-51.5-88.7000109.2Y19 V35 V37 L58 V74 T76 E89 F93Y19-F91 HydrophobicContact CD2-CB 4.43Å; Y19-F91 AromaticContact CE2-CD1 3.99Å; Y19-F91 HydrophobicContact CE2-CD1 3.99Å; V35-F91 PolarHBondContact N-O 3.48Å; V35-F91 PolarHBondContact O-N 3.35Å; V37-F91 HydrophobicContact CG2-CD2 4.48Å; V37-F91 HydrophobicContact CG2-CE2 4.13Å; L58-F91 HydrophobicContact CD1-CD2 4.35Å; L58-F91 HydrophobicContact CD1-CE2 3.93Å; L58-F91 HydrophobicContact CD1-CZ 4.2Å; L58-F91 HydrophobicContact CD2-CD2 3.66Å; L58-F91 HydrophobicContact CD2-CE2 4.06Å; L58-F91 HydrophobicContact CD2-CG 4.16Å; V74-F91 HydrophobicContact CG1-CD1 3.62Å; V74-F91 HydrophobicContact CG1-CE1 3.55Å; T76-F91 HydrophobicContact CG2-CE2 4.14Å; T76-F91 HydrophobicContact CG2-CZ 4.1Å; E89-F91 HydrophobicContact CB-CE2 4.12Å; E89-F91 HydrophobicContact CB-CZ 4.18Å; F91-F93 HydrophobicContact CB-CD2 4.13Å; F91-F93 HydrophobicContact CB-CE2 3.64Å; F91-F93 HydrophobicContact CG-CE2 4.39Å
92I90.9Very high90.7Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-106.6123.9170.2-54.1-55.1000108L16 V18 Y19 L32 R34 L166 L180L16-I92 HydrophobicContact CD2-CD1 4.45Å; L16-I92 HydrophobicContact CD2-CG1 4.15Å; V18-I92 WeakPolarHBondContact CA-O 3.47Å; V18-I92 HydrophobicContact CG1-CG2 4.3Å; V18-I92 HydrophobicContact CG2-CB 4.33Å; V18-I92 HydrophobicContact CG2-CG2 4.15Å; Y19-I92 PolarHBondContact N-O 3.42Å; L32-I92 HydrophobicContact CB-CG2 4.19Å; L32-I92 HydrophobicContact CD2-CG2 4.35Å; R34-I92 HydrophobicContact CB-CD1 3.93Å; R34-I92 HydrophobicContact CG-CD1 4.14Å; I92-L166 HydrophobicContact CD1-CD1 4.06Å; I92-L166 HydrophobicContact CG2-CD1 4.15Å; I92-L180 HydrophobicContact CG1-CD1 4.1Å
93F91.5Very high91Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-110.2134.7173.4-75.8-94000110.4Y19 L32 L33 V35 L58 I60 V74 F91 V95 L102Y19-F93 CarbonylContact O-C 3.54Å; Y19-F93 WeakPolarHBondContact O-CA 3.43Å; L32-F93 WeakPolarHBondContact CA-O 3.49Å; L33-F93 PolarHBondContact N-O 3.36Å; L33-F93 PolarHBondContact O-N 2.93Å; V35-F93 HydrophobicContact CB-CD2 4.26Å; V35-F93 HydrophobicContact CG2-CD2 3.83Å; V35-F93 HydrophobicContact CG2-CE2 4.44Å; L58-F93 HydrophobicContact CB-CE2 4.3Å; L58-F93 HydrophobicContact CB-CZ 3.81Å; L58-F93 HydrophobicContact CD2-CE2 3.73Å; L58-F93 HydrophobicContact CD2-CZ 4.11Å; I60-F93 HydrophobicContact CG2-CD1 4.38Å; I60-F93 HydrophobicContact CG2-CE1 4.46Å; V74-F93 HydrophobicContact CB-CZ 4.44Å; V74-F93 HydrophobicContact CG2-CE1 4.39Å; V74-F93 HydrophobicContact CG2-CZ 4.13Å; F91-F93 HydrophobicContact CB-CD2 4.13Å; F91-F93 HydrophobicContact CB-CE2 3.64Å; F91-F93 HydrophobicContact CG-CE2 4.39Å; F93-V95 HydrophobicContact CB-CG1 3.76Å; F93-L102 HydrophobicContact CD1-CD2 4.31Å; F93-L102 HydrophobicContact CE1-CD2 4.47Å; F93-L102 HydrophobicContact CG-CD2 4.38Å
94R91.7Very high91.3Very high23 Ų2328.7 Ų28.79%0.08715%0.148CC..EExtended strand (participates in β ladder)trans-82.1122.9163.4-169.1-175.9-64.597.40.5108.5V18 Y19 L21 C26 T30 L32 P172V18-R94 HydrophobicContact CG1-CB 4.19Å; Y19-R94 PolarHBondContact O-N 2.91Å; L21-R94 HydrophobicContact CB-CB 4.28Å; L21-R94 HydrophobicContact CB-CG 4.09Å; L21-R94 PolarHBondContact N-O 3.49Å; L21-R94 WeakPolarHBondContact O-CD 3.31Å; L21-R94 PolarHBondContact O-NH1 3.19Å; C26-R94 WeakPolarHBondContact SG-CD 3.47Å; T30-R94 HydrophobicContact CG2-CG 3.37Å; L32-R94 HydrophobicContact CD2-CB 4.19Å; L32-R94 HydrophobicContact CD2-CG 4.32Å; R94-P172 HydrophobicContact CG-CB 4.28Å; R94-P172 PolarHBondContact NE-O 3.32Å; R94-P172 PolarHBondContact NH2-O 2.83Å
95V92.4Very high91.5Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-139.7149.3-169.9-51.50000111.7T30 R31 L33 I60 F93 P97 L125 Y165T30-V95 CarbonylContact C-O 3.58Å; T30-V95 WeakPolarHBondContact CA-O 3.24Å; R31-V95 HydrophobicContact CB-CG2 4.5Å; R31-V95 PolarHBondContact N-O 3.09Å; R31-V95 PolarHBondContact O-N 3.23Å; L33-V95 HydrophobicContact CB-CG1 4.12Å; L33-V95 HydrophobicContact CB-CG2 3.93Å; L33-V95 HydrophobicContact CD2-CG1 4.15Å; L33-V95 HydrophobicContact CD2-CG2 4.42Å; I60-V95 HydrophobicContact CD1-CB 4.36Å; I60-V95 HydrophobicContact CD1-CG1 3.68Å; F93-V95 HydrophobicContact CB-CG1 3.76Å; V95-P97 WeakPolarHBondContact O-CD 3.43Å; V95-L125 HydrophobicContact CB-CD1 3.67Å; V95-L125 HydrophobicContact CG1-CD1 4.04Å; V95-L125 HydrophobicContact CG2-CD1 3.71Å; V95-Y165 HydrophobicContact CG2-CE1 3.94Å
96N90.9Very high91.6Very high4 Ų426.9 Ų26.92%0.02114%0.137CC..  trans-94.2109.6159.2-74.3-7.4000107.7L21 N27 T30 S98 E99 N100L21-N96 HydrophobicContact CD1-CB 4.15Å; L21-N96 WeakPolarHBondContact CD1-OD1 3.4Å; N27-N96 PolarHBondContact ND2-ND2 3.08Å; N27-N96 PolarHBondContact OD1-OD1 3.4Å; T30-N96 WeakPolarHBondContact CA-OD1 3.49Å; T30-N96 WeakPolarHBondContact CB-OD1 3.44Å; T30-N96 PolarHBondContact OG1-OD1 3.41Å; N96-S98 PolarHBondContact O-N 3.01Å; N96-E99 HydrophobicContact CB-CB 4.22Å; N96-E99 HydrophobicContact CB-CG 4.33Å; N96-E99 PolarHBondContact ND2-OE2 2.93Å; N96-E99 PolarHBondContact O-N 3.45Å; N96-N100 PolarHBondContact N-OD1 2.92Å; N96-N100 WeakPolarHBondContact O-CB 3.27Å; N96-N100 PolarHBondContact O-N 3.09Å
97P89Confident91.7Very high30 Ų3023.3 Ų23.320%0.19512%0.117CC..THydrogen-bonded Turntrans-57.3-31.2-178.6-28.137.6000114.1E29 R31 V95 L125 P126 Y165E29-P97 VanDerWaalsContact O-CD 3.28Å; E29-P97 WeakPolarHBondContact O-CD 3.46Å; R31-P97 HydrophobicContact CB-CG 4.15Å; R31-P97 HydrophobicContact CG-CG 3.8Å; V95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-L125 CarbonylContact O-C 3.45Å; P97-L125 WeakPolarHBondContact O-CB 3.37Å; P97-P126 VanDerWaalsContact O-CD 3.26Å; P97-P126 WeakPolarHBondContact O-CD 3.26Å; P97-P126 VanDerWaalsContact O-CG 3.3Å; P97-P126 WeakPolarHBondContact O-CG 3.48Å; P97-Y165 WeakPolarHBondContact CB-OH 3.23Å; P97-Y165 HydrophobicContact CG-CE1 3.95Å
98S85.1Confident91.5Very high58 Ų5822.4 Ų22.441%0.40611%0.114SC..THydrogen-bonded Turntrans-74.6-26.2-178.144.40000114.6E29 N96 P126E29-S98 VanDerWaalsContact OE2-CB 3.29Å; E29-S98 WeakPolarHBondContact OE2-CB 3.5Å; E29-S98 PolarHBondContact OE2-OG 2.94Å; N96-S98 PolarHBondContact O-N 3.01Å; S98-P126 WeakPolarHBondContact O-CG 3.42Å
99E85.5Confident91.5Very high64 Ų6421.7 Ų21.730%0.29911%0.107SC..THydrogen-bonded Turntrans-113.7-44.1-173.5-61.2-176.1119.700113K62 N96K62-E99 VanDerWaalsContact CE-CD 3.5Å; K62-E99 WeakPolarHBondContact CE-OE1 3.47Å; K62-E99 VanDerWaalsContact CE-OE2 3.31Å; K62-E99 WeakPolarHBondContact CE-OE2 3.1Å; K62-E99 IonicContact NZ-OE1 2.71Å; K62-E99 CarbonylContact O-C 3.54Å; K62-E99 WeakPolarHBondContact O-CB 3.33Å; N96-E99 HydrophobicContact CB-CB 4.22Å; N96-E99 HydrophobicContact CB-CG 4.33Å; N96-E99 PolarHBondContact ND2-OE2 2.93Å; N96-E99 PolarHBondContact O-N 3.45Å
100N91.3Very high91Very high1 Ų122 Ų221%0.00511%0.11CC..  trans-86153.8-154.8-57.8164.7000114.1I60 Y61 K62 N96 L125I60-N100 HydrophobicContact CD1-CB 4.37Å; I60-N100 HydrophobicContact CG1-CB 4.33Å; Y61-N100 WeakPolarHBondContact O-CA 3.45Å; K62-N100 PolarHBondContact O-ND2 3.23Å; N96-N100 PolarHBondContact N-OD1 2.92Å; N96-N100 WeakPolarHBondContact O-CB 3.27Å; N96-N100 PolarHBondContact O-N 3.09Å; N100-L125 HydrophobicContact CB-CD1 4.19Å; N100-L125 WeakPolarHBondContact O-CB 3.04Å; N100-L125 WeakPolarHBondContact O-CG 3.49Å; N100-L125 PolarHBondContact O-N 2.86Å; N100-L125 VanDerWaalsContact O-N 3.13Å
101R91.3Very high89.8Confident39 Ų3930.9 Ų30.915%0.14714%0.142CC..EExtended strand (participates in β ladder)trans-122.4139168.765.9-173.2-178.6100.53.9111.1I60 Y61 T63 S66 T122 V123 F124I60-R101 WeakPolarHBondContact CA-O 3.37Å; Y61-R101 PolarHBondContact N-O 3.09Å; Y61-R101 PolarHBondContact O-N 2.91Å; Y61-R101 VanDerWaalsContact O-N 3.07Å; T63-R101 PolarHBondContact O-NE 3.38Å; T63-R101 VanDerWaalsContact O-NE 3.12Å; S66-R101 PolarHBondContact O-NH2 2.92Å; R101-T122 HydrophobicContact CB-CG2 4.43Å; R101-V123 CarbonylContact C-O 3.55Å; R101-V123 WeakPolarHBondContact CA-O 3.48Å; R101-F124 HydrophobicContact CB-CD1 3.72Å; R101-F124 HydrophobicContact CB-CE1 4.12Å; R101-F124 HydrophobicContact CB-CG 4.35Å; R101-F124 HydrophobicContact CG-CD1 4.47Å; R101-F124 HydrophobicContact CG-CE1 4.44Å
102L93.1Very high88Confident1 Ų138.1 Ų38.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-92.5144.3166.4-74.7168.6000109.7L33 V35 C59 I60 F93 F104 T122 V123 L125L33-L102 HydrophobicContact CD2-CD1 3.67Å; V35-L102 HydrophobicContact CG2-CD1 4.03Å; C59-L102 CarbonylContact O-C 3.5Å; C59-L102 WeakPolarHBondContact O-CA 3.43Å; I60-L102 HydrophobicContact CB-CD2 4.05Å; I60-L102 HydrophobicContact CG1-CD2 4.38Å; F93-L102 HydrophobicContact CD1-CD2 4.31Å; F93-L102 HydrophobicContact CE1-CD2 4.47Å; F93-L102 HydrophobicContact CG-CD2 4.38Å; L102-F104 HydrophobicContact CB-CD2 4.48Å; L102-F104 HydrophobicContact CB-CE2 3.71Å; L102-F104 HydrophobicContact CB-CZ 4.2Å; L102-F104 HydrophobicContact CD1-CE2 4.36Å; L102-F104 HydrophobicContact CD1-CZ 4.13Å; L102-T122 WeakPolarHBondContact O-CA 3.44Å; L102-V123 HydrophobicContact CB-CB 4.38Å; L102-V123 PolarHBondContact N-O 2.89Å; L102-V123 PolarHBondContact O-N 3.29Å; L102-L125 HydrophobicContact CD1-CD2 4.34Å
103V94.2Very high86.5Confident7 Ų740.7 Ų40.74%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-129.7127.1174.8-175.90000107.9C59 Y61 E105 V120 V121 T122C59-V103 HydrophobicContact CB-CB 4.36Å; C59-V103 PolarHBondContact N-O 3.29Å; C59-V103 PolarHBondContact O-N 3.36Å; Y61-V103 HydrophobicContact CD2-CB 4.37Å; Y61-V103 HydrophobicContact CD2-CG2 3.65Å; Y61-V103 HydrophobicContact CE2-CB 3.95Å; Y61-V103 HydrophobicContact CE2-CG2 3.59Å; V103-E105 HydrophobicContact CG1-CG 3.95Å; V103-V120 HydrophobicContact CG1-CG2 3.41Å; V103-V120 VanDerWaalsContact CG1-CG2 3.41Å; V103-V121 CarbonylContact C-O 3.58Å; V103-V121 WeakPolarHBondContact CA-O 3.33Å; V103-T122 HydrophobicContact CG2-CG2 4.21Å
104F96.6Very high85.8Confident0 Ų051.9 Ų51.90%024%0.237CC..EExtended strand (participates in β ladder)trans-113.3107.1-179.9-59.4-99.7000107.8V35 V37 K57 L58 L102 V120 V121 V123 L159 L161V35-F104 HydrophobicContact CG1-CE1 3.72Å; V35-F104 HydrophobicContact CG1-CZ 3.82Å; V37-F104 HydrophobicContact CG2-CD1 4.45Å; V37-F104 HydrophobicContact CG2-CE1 4.3Å; K57-F104 CarbonylContact O-C 3.55Å; K57-F104 WeakPolarHBondContact O-CA 3.4Å; L58-F104 HydrophobicContact CD2-CD1 4.19Å; L58-F104 HydrophobicContact CD2-CE1 3.7Å; L58-F104 HydrophobicContact CG-CD1 3.82Å; L58-F104 HydrophobicContact CG-CE1 3.86Å; L102-F104 HydrophobicContact CB-CD2 4.48Å; L102-F104 HydrophobicContact CB-CE2 3.71Å; L102-F104 HydrophobicContact CB-CZ 4.2Å; L102-F104 HydrophobicContact CD1-CE2 4.36Å; L102-F104 HydrophobicContact CD1-CZ 4.13Å; F104-V120 CarbonylContact O-C 3.58Å; F104-V120 VanDerWaalsContact O-CA 3.3Å; F104-V120 WeakPolarHBondContact O-CA 3.31Å; F104-V121 HydrophobicContact CB-CB 4.3Å; F104-V121 PolarHBondContact N-O 2.8Å; F104-V121 PolarHBondContact O-N 3.27Å; F104-V123 HydrophobicContact CD2-CG2 4.36Å; F104-V123 HydrophobicContact CE2-CB 4.34Å; F104-V123 HydrophobicContact CE2-CG2 3.91Å; F104-L159 HydrophobicContact CB-CD2 3.67Å; F104-L159 HydrophobicContact CD1-CD2 4.33Å; F104-L159 HydrophobicContact CG-CD2 4.06Å; F104-L161 HydrophobicContact CD1-CD1 4.1Å; F104-L161 HydrophobicContact CD1-CD2 4.01Å; F104-L161 HydrophobicContact CD2-CD1 3.89Å; F104-L161 HydrophobicContact CE1-CD1 3.82Å; F104-L161 HydrophobicContact CE1-CD2 3.82Å; F104-L161 HydrophobicContact CE1-CG 4.48Å; F104-L161 HydrophobicContact CE2-CD1 3.59Å; F104-L161 HydrophobicContact CG-CD1 4.15Å; F104-L161 HydrophobicContact CZ-CD1 3.57Å; F104-L161 HydrophobicContact CZ-CD2 4.36Å
105E95.5Very high85.5Confident45 Ų4553 Ų5321%0.2125%0.246CC..EExtended strand (participates in β ladder)trans-105.7120.2-179-58.2-174136.100110.1C56 K57 V103 Y107 V120C56-E105 CarbonylContact C-O 3.53Å; C56-E105 WeakPolarHBondContact CA-O 3.32Å; K57-E105 HydrophobicContact CB-CB 4.5Å; K57-E105 PolarHBondContact N-O 3.48Å; K57-E105 PolarHBondContact O-N 2.86Å; V103-E105 HydrophobicContact CG1-CG 3.95Å; E105-Y107 HydrophobicContact CB-CD2 4.17Å; E105-Y107 HydrophobicContact CB-CE2 3.55Å; E105-Y107 PolarHBondContact OE2-OH 3.35Å; E105-V120 HydrophobicContact CG-CG2 4.02Å
106L96.3Very high85.2Confident0 Ų056.3 Ų56.30%026%0.263CS..EExtended strand (participates in β ladder)trans-94.5137.8179.1-78.168.2000110.5A40 L43 Y55 C56 W87 L118 G119 L146 L159A40-L106 HydrophobicContact CB-CD2 4.02Å; L43-L106 HydrophobicContact CD1-CD2 4.48Å; L43-L106 HydrophobicContact CD2-CD2 3.8Å; Y55-L106 WeakPolarHBondContact O-CA 3.37Å; C56-L106 HydrophobicContact CB-CD1 4.23Å; C56-L106 HydrophobicContact CB-CG 4.22Å; W87-L106 HydrophobicContact CH2-CD2 4.03Å; W87-L106 HydrophobicContact CH2-CG 4.44Å; L106-L118 HydrophobicContact CB-CB 3.91Å; L106-L118 PolarHBondContact O-N 3.03Å; L106-G119 PolarHBondContact N-O 3.45Å; L106-L146 HydrophobicContact CD1-CD2 3.87Å; L106-L146 HydrophobicContact CD2-CD1 4.08Å; L106-L146 HydrophobicContact CD2-CD2 3.98Å; L106-L146 HydrophobicContact CG-CD2 4.4Å; L106-L159 HydrophobicContact CD1-CD1 4.21Å; L106-L159 HydrophobicContact CD1-CD2 4Å; L106-L159 HydrophobicContact CD2-CD1 4.35Å
107Y94.8Very high85.3Confident29 Ų2956.5 Ų56.511%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-137.6149.8-173.4-77.1-82.2000111.3P54 Y55 K57 E105 D115 D116 F117P54-Y107 CarbonylContact C-O 3.56Å; P54-Y107 VanDerWaalsContact CA-O 3.25Å; P54-Y107 WeakPolarHBondContact CA-O 3.42Å; Y55-Y107 WeakPolarHBondContact CD1-O 3.22Å; Y55-Y107 VanDerWaalsContact CE1-CB 3.43Å; Y55-Y107 HydrophobicContact CE1-CG 4.48Å; Y55-Y107 PolarHBondContact N-O 3.43Å; Y55-Y107 PolarHBondContact O-N 2.88Å; K57-Y107 HydrophobicContact CD-CD2 3.85Å; K57-Y107 HydrophobicContact CD-CE2 3.71Å; K57-Y107 HydrophobicContact CG-CD2 4.21Å; K57-Y107 HydrophobicContact CG-CE2 4.4Å; E105-Y107 HydrophobicContact CB-CD2 4.17Å; E105-Y107 HydrophobicContact CB-CE2 3.55Å; E105-Y107 PolarHBondContact OE2-OH 3.35Å; Y107-D115 HydrophobicContact CD1-CB 3.76Å; Y107-D115 HydrophobicContact CG-CB 4.28Å; Y107-D116 CarbonylContact C-O 3.3Å; Y107-D116 VanDerWaalsContact CA-O 3.25Å; Y107-D116 WeakPolarHBondContact CA-O 3.31Å; Y107-F117 HydrophobicContact CE1-CD2 4.35Å
108D90.4Very high85.5Confident2 Ų255 Ų551%0.01125%0.254CS..EExtended strand (participates in β ladder)trans-93.7120.9170.4-147.6-16.3000108.7K46 S52 D53 N110 D115 D116 L118K46-D108 WeakPolarHBondContact CB-OD2 3.42Å; S52-D108 VanDerWaalsContact CA-OD1 3.24Å; S52-D108 WeakPolarHBondContact CA-OD1 3.2Å; S52-D108 WeakPolarHBondContact CA-OD2 3.49Å; S52-D108 VanDerWaalsContact CB-OD1 3.25Å; S52-D108 WeakPolarHBondContact CB-OD1 3.37Å; S52-D108 WeakPolarHBondContact CB-OD2 3.23Å; S52-D108 PolarHBondContact OG-OD2 3.28Å; D53-D108 PolarHBondContact N-OD1 3.16Å; D108-N110 PolarHBondContact O-N 3.26Å; D108-N110 VanDerWaalsContact O-N 3.14Å; D108-D115 WeakPolarHBondContact O-CA 3.37Å; D108-D115 WeakPolarHBondContact O-CB 3.49Å; D108-D116 HydrophobicContact CB-CB 4.01Å; D108-D116 PolarHBondContact N-O 2.93Å; D108-D116 PolarHBondContact O-N 2.86Å; D108-L118 HydrophobicContact CB-CD1 4.17Å; D108-L118 HydrophobicContact CB-CD2 4.28Å; D108-L118 HydrophobicContact CB-CG 4.28Å
109E89.2Confident85.9Confident81 Ų8152.3 Ų52.338%0.37924%0.235SC..  trans-74.3102.7-173.7-170.6-169.3179.600111.9D53 Y55 T78D53-E109 HydrophobicContact CB-CB 4.46Å; D53-E109 PolarHBondContact O-N 2.82Å; Y55-E109 HydrophobicContact CD1-CB 4.09Å; Y55-E109 HydrophobicContact CE1-CB 4.18Å; T78-E109 WeakPolarHBondContact CB-OE2 3.3Å; T78-E109 HydrophobicContact CG2-CB 3.63Å; T78-E109 HydrophobicContact CG2-CG 4.49Å; T78-E109 VanDerWaalsContact CG2-OE2 3.25Å; T78-E109 WeakPolarHBondContact CG2-OE2 3.12Å; T78-E109 PolarHBondContact OG1-OE2 3.47Å
110N80.2Confident86.4Confident32 Ų3250.1 Ų50.117%0.17123%0.226CC..  trans-94.3124.7-177.5-90.1-32.9000112.2D108 I112 T113 R114 D115 D116D108-N110 PolarHBondContact O-N 3.26Å; D108-N110 VanDerWaalsContact O-N 3.14Å; N110-I112 VanDerWaalsContact C-N 3.34Å; N110-I112 PolarHBondContact O-N 3.33Å; N110-T113 WeakPolarHBondContact CB-O 3.34Å; N110-T113 WeakPolarHBondContact CB-OG1 3.35Å; N110-T113 PolarHBondContact ND2-OG1 3.41Å; N110-R114 PolarHBondContact ND2-O 3.35Å; N110-D115 PolarHBondContact N-OD1 2.83Å; N110-D116 PolarHBondContact ND2-OD2 3.06Å
111R64.5Low86.5Confident216 Ų21650.3 Ų50.382%0.81523%0.227SC*.SBendtrans-76.2-14.6-177.4-73179.4156.8-159.4-12.4115.7
112I53.7Low86.6Confident169 Ų16951 Ų5187%0.86724%0.236SC*.SBendtrans-140-37.1-168.1-56179.7000110.8N110N110-I112 VanDerWaalsContact C-N 3.34Å; N110-I112 PolarHBondContact O-N 3.33Å
113T59.7Low86.5Confident53 Ų5351.2 Ų51.233%0.32524%0.237SC..SBendtrans-94.7176.2173.936.20000111.6N110N110-T113 WeakPolarHBondContact CB-O 3.34Å; N110-T113 WeakPolarHBondContact CB-OG1 3.35Å; N110-T113 PolarHBondContact ND2-OG1 3.41Å
114R75.7Confident86.3Confident235 Ų23554.4 Ų54.489%0.88725%0.25SS*.PPolyproline II helixtrans-70.5148.1165.4-68.7178.6176.6167-1109.6N110 D116N110-R114 PolarHBondContact ND2-O 3.35Å; R114-D116 PolarHBondContact O-N 2.77Å
115D86.6Confident86Confident48 Ų4854.6 Ų54.626%0.25725%0.252SS..PPolyproline II helixtrans-58.7132.1176.8-57.6-31.7000112.9Y55 K57 Y107 D108 N110Y55-D115 HydrophobicContact CE1-CB 4.45Å; Y55-D115 PolarHBondContact OH-OD2 3.25Å; K57-D115 IonicContact NZ-OD2 2.67Å; Y107-D115 HydrophobicContact CD1-CB 3.76Å; Y107-D115 HydrophobicContact CG-CB 4.28Å; D108-D115 WeakPolarHBondContact O-CA 3.37Å; D108-D115 WeakPolarHBondContact O-CB 3.49Å; N110-D115 PolarHBondContact N-OD1 2.83Å
116D86.6Confident85.4Confident69 Ų6955.3 Ų55.337%0.36926%0.26SS..EExtended strand (participates in β ladder)trans-82140.2-179.2-80-67000112.2K46 Y107 D108 N110 R114K46-D116 HydrophobicContact CB-CB 3.92Å; K46-D116 HydrophobicContact CD-CB 4.43Å; K46-D116 HydrophobicContact CG-CB 3.84Å; Y107-D116 CarbonylContact C-O 3.3Å; Y107-D116 VanDerWaalsContact CA-O 3.25Å; Y107-D116 WeakPolarHBondContact CA-O 3.31Å; D108-D116 HydrophobicContact CB-CB 4.01Å; D108-D116 PolarHBondContact N-O 2.93Å; D108-D116 PolarHBondContact O-N 2.86Å; N110-D116 PolarHBondContact ND2-OD2 3.06Å; R114-D116 PolarHBondContact O-N 2.77Å
117F92.1Very high84.8Confident7 Ų762.6 Ų62.63%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-83.6123.8-174.5177.4-97.5000111.9K46 Y107 V120 R149 V155K46-F117 VanDerWaalsContact CE-O 3.3Å; K46-F117 WeakPolarHBondContact CE-O 3.29Å; Y107-F117 HydrophobicContact CE1-CD2 4.35Å; F117-V120 HydrophobicContact CE2-CB 4.16Å; F117-V120 HydrophobicContact CZ-CB 3.81Å; F117-V120 HydrophobicContact CZ-CG1 3.99Å; F117-R149 VanDerWaalsContact CB-CZ 3.46Å; F117-R149 HydrophobicContact CD1-CG 3.92Å; F117-R149 HydrophobicContact CE1-CB 3.93Å; F117-R149 HydrophobicContact CE1-CG 3.59Å; F117-R149 HydrophobicContact CE2-CB 4.34Å; F117-R149 HydrophobicContact CE2-CG 4.27Å; F117-R149 HydrophobicContact CG-CG 4.38Å; F117-R149 HydrophobicContact CZ-CB 3.7Å; F117-R149 HydrophobicContact CZ-CG 3.76Å; F117-V155 HydrophobicContact CD1-CG1 3.94Å; F117-V155 HydrophobicContact CE1-CG1 3.79Å
118L92.7Very high84.3Confident0 Ų062.9 Ų62.90%029%0.292CS..EExtended strand (participates in β ladder)trans-102.8-19.9-176.2-59.5179.2000113.5L43 M44 K46 P54 L106 D108 V155L43-L118 HydrophobicContact CD1-CD1 4.28Å; M44-L118 WeakPolarHBondContact O-CD2 3.32Å; K46-L118 HydrophobicContact CD-CD2 4.44Å; K46-L118 HydrophobicContact CG-CD2 3.5Å; P54-L118 HydrophobicContact CB-CD1 3.7Å; L106-L118 HydrophobicContact CB-CB 3.91Å; L106-L118 PolarHBondContact O-N 3.03Å; D108-L118 HydrophobicContact CB-CD1 4.17Å; D108-L118 HydrophobicContact CB-CD2 4.28Å; D108-L118 HydrophobicContact CB-CG 4.28Å; L118-V155 WeakPolarHBondContact O-CB 3.43Å; L118-V155 VanDerWaalsContact O-CG1 3.31Å; L118-V155 WeakPolarHBondContact O-CG1 3.45Å
119G94Very high83.7Confident0 Ų070.8 Ų70.80%033%0.329CS..EExtended strand (participates in β ladder)trans154163.8174.400000114.2L106L106-G119 PolarHBondContact N-O 3.45Å
120V95.5Very high83.5Confident18 Ų1868 Ų6811%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-125.9141.3173.764.20000111.9V103 F104 E105 F117 R147V103-V120 HydrophobicContact CG1-CG2 3.41Å; V103-V120 VanDerWaalsContact CG1-CG2 3.41Å; F104-V120 CarbonylContact O-C 3.58Å; F104-V120 VanDerWaalsContact O-CA 3.3Å; F104-V120 WeakPolarHBondContact O-CA 3.31Å; E105-V120 HydrophobicContact CG-CG2 4.02Å; F117-V120 HydrophobicContact CE2-CB 4.16Å; F117-V120 HydrophobicContact CZ-CB 3.81Å; F117-V120 HydrophobicContact CZ-CG1 3.99Å; V120-R147 HydrophobicContact CG1-CB 4.4Å; V120-R147 WeakPolarHBondContact CG1-O 3.36Å; V120-R147 PolarHBondContact N-O 3.41Å; V120-R147 WeakPolarHBondContact O-CB 3.45Å; V120-R147 PolarHBondContact O-N 3.37Å
121V95.1Very high83.7Confident6 Ų668 Ų684%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-116129163.5174.60000108.2V103 F104 V123 F144 L146 L159V103-V121 CarbonylContact C-O 3.58Å; V103-V121 WeakPolarHBondContact CA-O 3.33Å; F104-V121 HydrophobicContact CB-CB 4.3Å; F104-V121 PolarHBondContact N-O 2.8Å; F104-V121 PolarHBondContact O-N 3.27Å; V121-V123 HydrophobicContact CG1-CG2 4.03Å; V121-F144 HydrophobicContact CB-CB 4.33Å; V121-F144 HydrophobicContact CG1-CB 3.57Å; V121-F144 HydrophobicContact CG1-CD1 3.85Å; V121-F144 HydrophobicContact CG1-CG 3.79Å; V121-F144 HydrophobicContact CG2-CB 3.77Å; V121-L146 HydrophobicContact CG2-CD2 4.02Å; V121-L159 HydrophobicContact CB-CD2 4.21Å; V121-L159 HydrophobicContact CG2-CB 4.05Å; V121-L159 HydrophobicContact CG2-CD2 3.97Å
122T93Very high84.7Confident54 Ų5459.5 Ų59.533%0.33130%0.296SS..EExtended strand (participates in β ladder)trans-107.6125.8168.6-61.80000109.1R101 L102 V103 F124R101-T122 HydrophobicContact CB-CG2 4.43Å; L102-T122 WeakPolarHBondContact O-CA 3.44Å; V103-T122 HydrophobicContact CG2-CG2 4.21Å; T122-F124 HydrophobicContact CG2-CD2 4.02Å; T122-F124 HydrophobicContact CG2-CE1 4.16Å; T122-F124 HydrophobicContact CG2-CE2 3.55Å; T122-F124 HydrophobicContact CG2-CZ 3.63Å
123V91.2Very high85.8Confident4 Ų452.3 Ų52.32%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-111.7109.4174.4176.30000108.2R101 L102 F104 V121 L125 L128 F144 L163R101-V123 CarbonylContact C-O 3.55Å; R101-V123 WeakPolarHBondContact CA-O 3.48Å; L102-V123 HydrophobicContact CB-CB 4.38Å; L102-V123 PolarHBondContact N-O 2.89Å; L102-V123 PolarHBondContact O-N 3.29Å; F104-V123 HydrophobicContact CD2-CG2 4.36Å; F104-V123 HydrophobicContact CE2-CB 4.34Å; F104-V123 HydrophobicContact CE2-CG2 3.91Å; V121-V123 HydrophobicContact CG1-CG2 4.03Å; V123-L125 HydrophobicContact CG1-CD2 4.4Å; V123-L128 HydrophobicContact CG1-CB 4.37Å; V123-L128 HydrophobicContact CG1-CD2 3.52Å; V123-F144 HydrophobicContact CG2-CD1 4.3Å; V123-F144 HydrophobicContact CG2-CE1 3.83Å; V123-F144 HydrophobicContact CG2-CZ 4.06Å; V123-L163 HydrophobicContact CG1-CD1 4.17Å
124F89.8Confident86.1Confident74 Ų7453.7 Ų53.733%0.32528%0.283SS..EExtended strand (participates in β ladder)trans-82.5117.8169.7-61-86.7000108.3Q64 R101 T122 P126 Y127 L128Q64-F124 HydrophobicContact CG-CD1 4.39Å; Q64-F124 HydrophobicContact CG-CE1 4.01Å; R101-F124 HydrophobicContact CB-CD1 3.72Å; R101-F124 HydrophobicContact CB-CE1 4.12Å; R101-F124 HydrophobicContact CB-CG 4.35Å; R101-F124 HydrophobicContact CG-CD1 4.47Å; R101-F124 HydrophobicContact CG-CE1 4.44Å; T122-F124 HydrophobicContact CG2-CD2 4.02Å; T122-F124 HydrophobicContact CG2-CE1 4.16Å; T122-F124 HydrophobicContact CG2-CE2 3.55Å; T122-F124 HydrophobicContact CG2-CZ 3.63Å; F124-P126 VanDerWaalsContact C-CD 3.45Å; F124-Y127 HydrophobicContact CB-CD2 3.57Å; F124-Y127 HydrophobicContact CB-CE2 4.16Å; F124-Y127 HydrophobicContact CB-CG 4.41Å; F124-Y127 HydrophobicContact CG-CD2 4.1Å; F124-Y127 HydrophobicContact CG-CE2 4.4Å; F124-Y127 PolarHBondContact O-N 3.37Å; F124-L128 PolarHBondContact O-N 3.43Å
125L89.6Confident85.4Confident5 Ų545.3 Ų45.33%0.02626%0.26CS..G310 helixtrans-63.1-33.9-178.3-59.4-179.5000114.2L33 V95 P97 N100 L102 V123 Y127 I130L33-L125 HydrophobicContact CD2-CD1 4.33Å; L33-L125 HydrophobicContact CD2-CD2 3.78Å; V95-L125 HydrophobicContact CB-CD1 3.67Å; V95-L125 HydrophobicContact CG1-CD1 4.04Å; V95-L125 HydrophobicContact CG2-CD1 3.71Å; P97-L125 CarbonylContact O-C 3.45Å; P97-L125 WeakPolarHBondContact O-CB 3.37Å; N100-L125 HydrophobicContact CB-CD1 4.19Å; N100-L125 WeakPolarHBondContact O-CB 3.04Å; N100-L125 WeakPolarHBondContact O-CG 3.49Å; N100-L125 PolarHBondContact O-N 2.86Å; N100-L125 VanDerWaalsContact O-N 3.13Å; L102-L125 HydrophobicContact CD1-CD2 4.34Å; V123-L125 HydrophobicContact CG1-CD2 4.4Å; L125-Y127 PolarHBondContact O-N 2.96Å; L125-I130 HydrophobicContact CD2-CD1 3.67Å
126P83.3Confident83.9Confident59 Ų5951.7 Ų51.738%0.38330%0.295SS..G310 helixtrans-64.6-24.8177.7-24.534.1000114.5P97 S98 F124P97-P126 VanDerWaalsContact O-CD 3.26Å; P97-P126 WeakPolarHBondContact O-CD 3.26Å; P97-P126 VanDerWaalsContact O-CG 3.3Å; P97-P126 WeakPolarHBondContact O-CG 3.48Å; S98-P126 WeakPolarHBondContact O-CG 3.42Å; F124-P126 VanDerWaalsContact C-CD 3.45Å
127Y83.6Confident82Confident153 Ų15352.4 Ų52.460%0.630%0.304SS*.G310 helixtrans-111.211.2-172-45.2-48.6000113Q64 F124 L125Q64-Y127 PolarHBondContact NE2-OH 2.76Å; F124-Y127 HydrophobicContact CB-CD2 3.57Å; F124-Y127 HydrophobicContact CB-CE2 4.16Å; F124-Y127 HydrophobicContact CB-CG 4.41Å; F124-Y127 HydrophobicContact CG-CD2 4.1Å; F124-Y127 HydrophobicContact CG-CE2 4.4Å; F124-Y127 PolarHBondContact O-N 3.37Å; L125-Y127 PolarHBondContact O-N 2.96Å
128L83Confident80.3Confident36 Ų3660 Ų6019%0.18833%0.333CS..SBendtrans-123.4118.9176.6-173.767.3000110.7V123 F124 I130 K142 F144 L163V123-L128 HydrophobicContact CG1-CB 4.37Å; V123-L128 HydrophobicContact CG1-CD2 3.52Å; F124-L128 PolarHBondContact O-N 3.43Å; L128-I130 HydrophobicContact CB-CD1 4.49Å; L128-I130 HydrophobicContact CB-CG1 4.42Å; L128-I130 HydrophobicContact CD2-CD1 4.16Å; L128-I130 HydrophobicContact CD2-CG1 4.01Å; L128-I130 HydrophobicContact CG-CD1 4.46Å; L128-I130 HydrophobicContact CG-CG1 4.04Å; L128-I130 WeakPolarHBondContact O-CG1 3.49Å; L128-I130 PolarHBondContact O-N 3.33Å; L128-K142 HydrophobicContact CD1-CD 3.99Å; L128-F144 HydrophobicContact CD2-CE1 4.38Å; L128-F144 HydrophobicContact CD2-CZ 3.95Å; L128-L163 HydrophobicContact CD2-CD1 3.62Å
129E79.6Confident79.2Confident168 Ų16861.6 Ų61.679%0.78534%0.341SS*.  trans-57.5109.7167.8-60175.3150.400110.3K142E129-K142 PolarHBondContact O-NZ 3Å
130I85.1Confident78.2Confident23 Ų2368 Ų6812%0.11837%0.372CS..  trans-124.1112.2176.5-65.3166.4000106.8L33 L125 L128 L163 Y165L33-I130 HydrophobicContact CD1-CD1 4.27Å; L33-I130 HydrophobicContact CD1-CG2 3.83Å; L125-I130 HydrophobicContact CD2-CD1 3.67Å; L128-I130 HydrophobicContact CB-CD1 4.49Å; L128-I130 HydrophobicContact CB-CG1 4.42Å; L128-I130 HydrophobicContact CD2-CD1 4.16Å; L128-I130 HydrophobicContact CD2-CG1 4.01Å; L128-I130 HydrophobicContact CG-CD1 4.46Å; L128-I130 HydrophobicContact CG-CG1 4.04Å; L128-I130 WeakPolarHBondContact O-CG1 3.49Å; L128-I130 PolarHBondContact O-N 3.33Å; I130-L163 HydrophobicContact CD1-CB 4.44Å; I130-L163 HydrophobicContact CG1-CB 4.28Å; I130-L163 HydrophobicContact CG2-CB 4.5Å; I130-Y165 HydrophobicContact CB-CD2 3.97Å; I130-Y165 HydrophobicContact CB-CE2 3.59Å; I130-Y165 HydrophobicContact CD1-CE2 4.48Å; I130-Y165 HydrophobicContact CG2-CD2 3.55Å; I130-Y165 HydrophobicContact CG2-CE2 3.61Å; I130-Y165 HydrophobicContact CG2-CG 4.05Å; I130-Y165 WeakPolarHBondContact O-CD2 3.3Å
131G83.3Confident77.6Confident30 Ų3069.1 Ų69.131%0.30938%0.384SS..PPolyproline II helixtrans-71.3165.7177.600000112.8Y165G131-Y165 PolarHBondContact O-N 3.38Å
132T84.7Confident77.2Confident39 Ų3972.4 Ų72.424%0.23940%0.398CS..BIsolated β-bridgetrans-100.6133.2173.6-62.30000110.2R31 S135 Y165R31-T132 PolarHBondContact NH2-OG1 2.71Å; R31-T132 VanDerWaalsContact NH2-OG1 3.08Å; T132-S135 WeakPolarHBondContact O-CB 3.42Å; T132-S135 PolarHBondContact O-N 3.41Å; T132-S135 PolarHBondContact O-OG 3.37Å; T132-Y165 CarbonylContact C-O 3.56Å; T132-Y165 VanDerWaalsContact CA-O 3.27Å; T132-Y165 WeakPolarHBondContact CA-O 3.33Å
133E77.9Confident77.1Confident17 Ų1772.7 Ų72.78%0.07940%0.402CS..THydrogen-bonded Turntrans-60.9146.4176.8-61.2-170146.200111.8R34 S135 L139 Y162 A164 Y165 L166R34-E133 WeakPolarHBondContact CD-OE1 3.21Å; R34-E133 IonicContact CZ-OE1 3.66Å; R34-E133 IonicContact CZ-OE2 3.73Å; R34-E133 IonicContact NE-OE1 3.81Å; R34-E133 IonicContact NH1-OE1 2.77Å; R34-E133 PolarHBondContact NH1-OE1 3.41Å; R34-E133 IonicContact NH1-OE2 2.79Å; R34-E133 PolarHBondContact NH1-OE2 3.45Å; E133-S135 PolarHBondContact O-N 3.02Å; E133-L139 HydrophobicContact CG-CD1 4.12Å; E133-Y162 PolarHBondContact OE1-OH 2.84Å; E133-A164 HydrophobicContact CG-CB 3.69Å; E133-Y165 PolarHBondContact N-O 2.81Å; E133-L166 WeakPolarHBondContact OE2-CD2 3.48Å
134G66.5Low77.1Confident82 Ų8274.2 Ų74.285%0.84541%0.408SS*.THydrogen-bonded Turntrans80.2-2-175.200000114.8
135S60.4Low77.2Confident59 Ų5975 Ų7541%0.41342%0.415SS..SBendtrans-76.8153.916065.70000110.6T132 E133 C137T132-S135 WeakPolarHBondContact O-CB 3.42Å; T132-S135 PolarHBondContact O-N 3.41Å; T132-S135 PolarHBondContact O-OG 3.37Å; E133-S135 PolarHBondContact O-N 3.02Å; S135-C137 PolarHBondContact O-N 3.19Å
136N54.4Low77.4Confident182 Ų18275.1 Ų75.197%0.97342%0.416SS*.SBendtrans-70.520.3-179.6-72.4-9.7000114.4
137C48.3Very low77.8Confident84 Ų8479.4 Ų79.457%0.56842%0.424SS*.SBendtrans-98.9131.6-178.2-167.80000110.7S135 L139S135-C137 PolarHBondContact O-N 3.19Å; C137-L139 VanDerWaalsContact C-N 3.35Å; C137-L139 PolarHBondContact O-N 3.12Å
138R55.3Low78.1Confident167 Ų16775.4 Ų75.463%0.6342%0.417SS*.  trans-73.585.7177.5-171.1177.7-175178.31.2109.9M140 E189R138-M140 VanDerWaalsContact O-CG 3.31Å; R138-M140 WeakPolarHBondContact O-CG 3.46Å; R138-M140 PolarHBondContact O-N 3.46Å; R138-E189 IonicContact CZ-OE2 3.4Å; R138-E189 IonicContact NH1-OE2 3.91Å; R138-E189 IonicContact NH2-OE2 2.78Å; R138-E189 PolarHBondContact NH2-OE2 2.91Å
139L70Confident78.1Confident33 Ų3380.5 Ų80.517%0.17343%0.434CS..  trans-60.7120.2178-56.9-179.3000110.7E133 C137 Y162 A164E133-L139 HydrophobicContact CG-CD1 4.12Å; C137-L139 VanDerWaalsContact C-N 3.35Å; C137-L139 PolarHBondContact O-N 3.12Å; L139-Y162 HydrophobicContact CB-CE2 3.85Å; L139-A164 HydrophobicContact CD1-CB 3.8Å
140M73.6Confident78Confident134 Ų13475.2 Ų75.266%0.6642%0.415SS*.  trans-111.6153.4-178-57-162.276.600112.1R138R138-M140 VanDerWaalsContact O-CG 3.31Å; R138-M140 WeakPolarHBondContact O-CG 3.46Å; R138-M140 PolarHBondContact O-N 3.46Å
141A82.8Confident76.9Confident42 Ų4279.7 Ų79.735%0.34745%0.449SS..  trans-68.5133.1171.900000111I38 L161I38-A141 HydrophobicContact CD1-CB 3.42Å; I38-A141 VanDerWaalsContact CD1-CB 3.42Å; A141-L161 CarbonylContact C-O 3.34Å; A141-L161 WeakPolarHBondContact CA-O 3.45Å
142K85.7Confident75.6Confident76 Ų7682.6 Ų82.633%0.3345%0.45SS..EExtended strand (participates in β ladder)trans-96.8143.5175.9-66.7-175174.1-175.20109.6L128 E129 F144 L161L128-K142 HydrophobicContact CD1-CD 3.99Å; E129-K142 PolarHBondContact O-NZ 3Å; K142-F144 HydrophobicContact CB-CD2 4.42Å; K142-F144 HydrophobicContact CB-CE2 3.57Å; K142-F144 HydrophobicContact CB-CZ 3.87Å; K142-L161 PolarHBondContact N-O 3.3Å; K142-L161 PolarHBondContact O-N 3.33Å
143S90Very high74.9Confident60 Ų6081.6 Ų81.642%0.4245%0.445SS..EExtended strand (participates in β ladder)trans-106.7134.8176.8-163.60000109.7H160S143-H160 PolarHBondContact OG-CD2 2.82Å; S143-H160 PolarHBondContact OG-CE1 3.46Å; S143-H160 PolarHBondContact OG-NE2 3.11Å
144F93.1Very high74.9Confident36 Ų3683.4 Ų83.416%0.15845%0.451CS..EExtended strand (participates in β ladder)trans-126.2125.5-173-63.8-94.7000110.3V121 V123 L128 K142 L146 N158 L159 L161 L163V121-F144 HydrophobicContact CB-CB 4.33Å; V121-F144 HydrophobicContact CG1-CB 3.57Å; V121-F144 HydrophobicContact CG1-CD1 3.85Å; V121-F144 HydrophobicContact CG1-CG 3.79Å; V121-F144 HydrophobicContact CG2-CB 3.77Å; V123-F144 HydrophobicContact CG2-CD1 4.3Å; V123-F144 HydrophobicContact CG2-CE1 3.83Å; V123-F144 HydrophobicContact CG2-CZ 4.06Å; L128-F144 HydrophobicContact CD2-CE1 4.38Å; L128-F144 HydrophobicContact CD2-CZ 3.95Å; K142-F144 HydrophobicContact CB-CD2 4.42Å; K142-F144 HydrophobicContact CB-CE2 3.57Å; K142-F144 HydrophobicContact CB-CZ 3.87Å; F144-L146 PolarHBondContact O-N 2.92Å; F144-N158 CarbonylContact O-C 3.55Å; F144-N158 WeakPolarHBondContact O-CA 3.4Å; F144-L159 PolarHBondContact N-O 3.41Å; F144-L159 PolarHBondContact O-N 2.75Å; F144-L161 HydrophobicContact CD2-CB 4.29Å; F144-L161 HydrophobicContact CD2-CD1 3.92Å; F144-L161 HydrophobicContact CD2-CG 4.16Å; F144-L161 HydrophobicContact CE2-CB 4.01Å; F144-L161 HydrophobicContact CE2-CD1 3.95Å; F144-L161 HydrophobicContact CE2-CG 4.29Å; F144-L163 HydrophobicContact CZ-CD1 4.25Å
145L92Very high75.8Confident91 Ų9180.9 Ų80.948%0.47642%0.419SS..EExtended strand (participates in β ladder)trans-65.8127.8175.7179.164.9000110.8R147 N158L145-R147 PolarHBondContact O-N 3.12Å; L145-N158 WeakPolarHBondContact CA-OD1 3.35Å; L145-N158 WeakPolarHBondContact CD1-OD1 3.45Å
146L92.9Very high77.2Confident6 Ų681 Ų813%0.03141%0.41CS..PPolyproline II helixtrans-66.8127.3175.3-71.9163.7000110.2L43 L106 V121 F144 R156 G157 L159L43-L146 HydrophobicContact CD2-CD1 3.4Å; L43-L146 VanDerWaalsContact CD2-CD1 3.4Å; L106-L146 HydrophobicContact CD1-CD2 3.87Å; L106-L146 HydrophobicContact CD2-CD1 4.08Å; L106-L146 HydrophobicContact CD2-CD2 3.98Å; L106-L146 HydrophobicContact CG-CD2 4.4Å; V121-L146 HydrophobicContact CG2-CD2 4.02Å; F144-L146 PolarHBondContact O-N 2.92Å; L146-R156 WeakPolarHBondContact CD1-O 3.2Å; L146-G157 WeakPolarHBondContact CB-O 3.49Å; L146-G157 WeakPolarHBondContact CG-O 3.49Å; L146-G157 PolarHBondContact N-O 2.96Å; L146-L159 HydrophobicContact CD2-CB 4.4Å
147R92.5Very high78.8Confident150 Ų15072.8 Ų72.857%0.56637%0.369SS*.BIsolated β-bridgetrans-102150.6178.8-61.7-57-168.2161.53.4111.4V120 L145V120-R147 HydrophobicContact CG1-CB 4.4Å; V120-R147 WeakPolarHBondContact CG1-O 3.36Å; V120-R147 PolarHBondContact N-O 3.41Å; V120-R147 WeakPolarHBondContact O-CB 3.45Å; V120-R147 PolarHBondContact O-N 3.37Å; L145-R147 PolarHBondContact O-N 3.12Å
148P88.9Confident80.9Confident69 Ų6971.7 Ų71.745%0.44836%0.357SS..PPolyproline II helixtrans-74.9143.6172.132.4-36.1000110.4S150 S153 V155P148-S150 VanDerWaalsContact C-N 3.33Å; P148-S150 WeakPolarHBondContact CB-O 3.49Å; P148-S153 WeakPolarHBondContact CB-O 3.15Å; P148-V155 HydrophobicContact CB-CG2 3.98Å
149R83.1Confident82.9Confident143 Ų14363.7 Ų63.754%0.5433%0.327SS..SBendtrans-80.6-13.1172.666.1180177.8-173.60114F117 S153F117-R149 VanDerWaalsContact CB-CZ 3.46Å; F117-R149 HydrophobicContact CD1-CG 3.92Å; F117-R149 HydrophobicContact CE1-CB 3.93Å; F117-R149 HydrophobicContact CE1-CG 3.59Å; F117-R149 HydrophobicContact CE2-CB 4.34Å; F117-R149 HydrophobicContact CE2-CG 4.27Å; F117-R149 HydrophobicContact CG-CG 4.38Å; F117-R149 HydrophobicContact CZ-CB 3.7Å; F117-R149 HydrophobicContact CZ-CG 3.76Å; R149-S153 WeakPolarHBondContact CG-OG 3.25Å
150S77.2Confident84Confident56 Ų5663.8 Ų63.839%0.39233%0.327SS..SBendtrans-160.2161.1177.364.20000109.4P148 R152 S153P148-S150 VanDerWaalsContact C-N 3.33Å; P148-S150 WeakPolarHBondContact CB-O 3.49Å; S150-R152 PolarHBondContact O-N 3.48Å; S150-R152 VanDerWaalsContact O-N 3.08Å; S150-S153 WeakPolarHBondContact O-CB 3.24Å; S150-S153 PolarHBondContact O-N 2.87Å; S150-S153 PolarHBondContact OG-OG 3.01Å
151S62.7Low85Confident118 Ų11857.4 Ų57.483%0.82530%0.295SS*.THydrogen-bonded Turntrans-52.4-31.8178.648.70000114.2
152R56.5Low85.5Confident91 Ų9156 Ų5634%0.34328%0.281SS..THydrogen-bonded Turntrans-84.7-14178.5-60.5178.6-177.4-130.48.3114.5S150 R154 Y774 D778 N779S150-R152 PolarHBondContact O-N 3.48Å; S150-R152 VanDerWaalsContact O-N 3.08Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-R154 PolarHBondContact O-N 2.65Å; R152-Y774 VanDerWaalsContact NH2-CD1 3.27Å; R152-Y774 VanDerWaalsContact NH2-CZ 3.34Å; R152-D778 PolarHBondContact NH1-O 2.96Å; R152-N779 WeakPolarHBondContact CD-OD1 3.37Å; R152-N779 VanDerWaalsContact CZ-OD1 3.28Å; R152-N779 PolarHBondContact NE-OD1 3.05Å; R152-N779 PolarHBondContact NH1-OD1 3.49Å; R152-N779 PolarHBondContact NH2-O 3.3Å
153S69.6Low85.9Confident18 Ų1853.3 Ų53.313%0.12627%0.27CS..  trans-78.280.9-177.8-64.10000110.4P148 R149 S150 V155P148-S153 WeakPolarHBondContact CB-O 3.15Å; R149-S153 WeakPolarHBondContact CG-OG 3.25Å; S150-S153 WeakPolarHBondContact O-CB 3.24Å; S150-S153 PolarHBondContact O-N 2.87Å; S150-S153 PolarHBondContact OG-OG 3.01Å; S153-V155 WeakPolarHBondContact O-CG1 3.36Å; S153-V155 PolarHBondContact O-N 3.31Å
154R76.8Confident85.9Confident55 Ų5550.4 Ų50.421%0.20825%0.25CS..  trans-62.3122.5175.3-57.5-177.480.5170.65.1109.7M44 K46 R152 N469 N470 N473M44-R154 HydrophobicContact CE-CB 3.98Å; M44-R154 HydrophobicContact SD-CB 3.88Å; K46-R154 PolarHBondContact NZ-O 3.33Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-R154 PolarHBondContact O-N 2.65Å; R154-N469 PolarHBondContact NH2-O 3.23Å; R154-N470 VanDerWaalsContact CZ-O 3.29Å; R154-N470 PolarHBondContact NH1-O 3.27Å; R154-N470 PolarHBondContact NH1-OD1 3.05Å; R154-N470 PolarHBondContact NH2-O 3.43Å; R154-N473 VanDerWaalsContact CZ-CB 3.48Å; R154-N473 VanDerWaalsContact CZ-CG 3.41Å; R154-N473 PolarHBondContact NE-OD1 2.72Å; R154-N473 VanDerWaalsContact NH2-CB 3.28Å; R154-N473 VanDerWaalsContact NH2-N 3.13Å; R154-N473 PolarHBondContact NH2-OD1 3.33Å
155V86.6Confident85.9Confident28 Ų2849.5 Ų49.517%0.1725%0.246CC..  trans-145.6161.9-175.7-61.70000109.7F117 L118 P148 S153F117-V155 HydrophobicContact CD1-CG1 3.94Å; F117-V155 HydrophobicContact CE1-CG1 3.79Å; L118-V155 WeakPolarHBondContact O-CB 3.43Å; L118-V155 VanDerWaalsContact O-CG1 3.31Å; L118-V155 WeakPolarHBondContact O-CG1 3.45Å; P148-V155 HydrophobicContact CB-CG2 3.98Å; S153-V155 WeakPolarHBondContact O-CG1 3.36Å; S153-V155 PolarHBondContact O-N 3.31Å
156R88.3Confident85.7Confident61 Ų6145.3 Ų45.323%0.2322%0.224CC..  trans-161.2169.1172.257.5159.3-164.916512.7110.4D42 L43 M44 L146 N469D42-R156 CarbonylContact O-C 3.6Å; D42-R156 WeakPolarHBondContact O-CD 3.11Å; D42-R156 VanDerWaalsContact O-CG 3.31Å; D42-R156 WeakPolarHBondContact O-CG 3.44Å; D42-R156 PolarHBondContact O-NE 3.44Å; D42-R156 VanDerWaalsContact O-NE 3.12Å; D42-R156 IonicContact OD1-CZ 3.7Å; D42-R156 IonicContact OD1-NE 2.68Å; D42-R156 IonicContact OD1-NH1 2.84Å; D42-R156 PolarHBondContact OD1-NH1 2.89Å; D42-R156 IonicContact OD1-NH2 2.78Å; D42-R156 PolarHBondContact OD1-NH2 3.12Å; D42-R156 WeakPolarHBondContact OD2-CD 3.03Å; D42-R156 IonicContact OD2-CZ 3.99Å; D42-R156 IonicContact OD2-NE 2.94Å; D42-R156 IonicContact OD2-NH1 3.98Å; D42-R156 PolarHBondContact OD2-NH1 2.76Å; D42-R156 IonicContact OD2-NH2 3.5Å; L43-R156 VanDerWaalsContact O-CZ 3.32Å; L43-R156 PolarHBondContact O-NE 2.96Å; L43-R156 PolarHBondContact O-NH2 2.62Å; M44-R156 HydrophobicContact CB-CG 4.02Å; M44-R156 HydrophobicContact CE-CG 4.11Å; L146-R156 WeakPolarHBondContact CD1-O 3.2Å; R156-N469 PolarHBondContact NE-ND2 3.08Å; R156-N469 PolarHBondContact NH1-ND2 2.87Å
157G89.1Confident85.1Confident11 Ų1146 Ų4611%0.11323%0.229CC..  trans99.7176.5174.400000114.4L41 D42 L146L41-G157 CarbonylContact O-C 3.54Å; L41-G157 WeakPolarHBondContact O-CA 3.11Å; D42-G157 WeakPolarHBondContact O-CA 3.47Å; L146-G157 WeakPolarHBondContact CB-O 3.49Å; L146-G157 WeakPolarHBondContact CG-O 3.49Å; L146-G157 PolarHBondContact N-O 2.96Å
158N93.3Very high84.2Confident60 Ų6043.8 Ų43.832%0.32124%0.236SC..EExtended strand (participates in β ladder)trans-125.1138.5-175.6-66-29.1000111.5A40 L41 F144 L145A40-N158 CarbonylContact C-O 3.57Å; A40-N158 VanDerWaalsContact CA-O 3.24Å; A40-N158 WeakPolarHBondContact CA-O 3.42Å; L41-N158 PolarHBondContact N-O 2.66Å; L41-N158 PolarHBondContact O-N 3.49Å; F144-N158 CarbonylContact O-C 3.55Å; F144-N158 WeakPolarHBondContact O-CA 3.4Å; L145-N158 WeakPolarHBondContact CA-OD1 3.35Å; L145-N158 WeakPolarHBondContact CD1-OD1 3.45Å
159L96Very high83.5Confident0 Ų047.7 Ų47.70%025%0.248CC..EExtended strand (participates in β ladder)trans-98.6125.5173.2-177.565.5000110.1V37 A40 W87 F104 L106 V121 F144 L146 L161V37-L159 HydrophobicContact CG1-CD1 4.18Å; A40-L159 HydrophobicContact CB-CD1 4.42Å; W87-L159 HydrophobicContact CZ3-CD1 3.99Å; F104-L159 HydrophobicContact CB-CD2 3.67Å; F104-L159 HydrophobicContact CD1-CD2 4.33Å; F104-L159 HydrophobicContact CG-CD2 4.06Å; L106-L159 HydrophobicContact CD1-CD1 4.21Å; L106-L159 HydrophobicContact CD1-CD2 4Å; L106-L159 HydrophobicContact CD2-CD1 4.35Å; V121-L159 HydrophobicContact CB-CD2 4.21Å; V121-L159 HydrophobicContact CG2-CB 4.05Å; V121-L159 HydrophobicContact CG2-CD2 3.97Å; F144-L159 PolarHBondContact N-O 3.41Å; F144-L159 PolarHBondContact O-N 2.75Å; L146-L159 HydrophobicContact CD2-CB 4.4Å; L159-L161 HydrophobicContact CD1-CD2 4.39Å; L159-L161 HydrophobicContact CD2-CD1 4.12Å; L159-L161 HydrophobicContact CD2-CD2 3.91Å; L159-L161 HydrophobicContact CD2-CG 4.1Å; L159-L161 HydrophobicContact CG-CD2 3.9Å; L159-L161 HydrophobicContact CG-CG 4.04Å
160H94.6Very high83.2Confident34 Ų3441.8 Ų41.816%0.15723%0.227CC..EExtended strand (participates in β ladder)trans-97.7121.7175.4-76.2-109.2000110.7I38 R39 S143I38-H160 HydrophobicContact CB-CB 4.22Å; I38-H160 WeakPolarHBondContact CB-O 3.28Å; I38-H160 PolarHBondContact N-O 3.32Å; R39-H160 HydrophobicContact CG-CB 3.85Å; R39-H160 PolarHBondContact O-N 2.87Å; S143-H160 PolarHBondContact OG-CD2 2.82Å; S143-H160 PolarHBondContact OG-CE1 3.46Å; S143-H160 PolarHBondContact OG-NE2 3.11Å
161L94.5Very high82.9Confident0 Ų042.7 Ų42.70%023%0.228CC..EExtended strand (participates in β ladder)trans-125142.5-178.9-58.2176.2000110.7V37 F104 A141 K142 F144 L159 L163V37-L161 HydrophobicContact CB-CD2 4.28Å; V37-L161 HydrophobicContact CG1-CD2 4.2Å; V37-L161 HydrophobicContact CG2-CD2 3.96Å; F104-L161 HydrophobicContact CD1-CD1 4.1Å; F104-L161 HydrophobicContact CD1-CD2 4.01Å; F104-L161 HydrophobicContact CD2-CD1 3.89Å; F104-L161 HydrophobicContact CE1-CD1 3.82Å; F104-L161 HydrophobicContact CE1-CD2 3.82Å; F104-L161 HydrophobicContact CE1-CG 4.48Å; F104-L161 HydrophobicContact CE2-CD1 3.59Å; F104-L161 HydrophobicContact CG-CD1 4.15Å; F104-L161 HydrophobicContact CZ-CD1 3.57Å; F104-L161 HydrophobicContact CZ-CD2 4.36Å; A141-L161 CarbonylContact C-O 3.34Å; A141-L161 WeakPolarHBondContact CA-O 3.45Å; K142-L161 PolarHBondContact N-O 3.3Å; K142-L161 PolarHBondContact O-N 3.33Å; F144-L161 HydrophobicContact CD2-CB 4.29Å; F144-L161 HydrophobicContact CD2-CD1 3.92Å; F144-L161 HydrophobicContact CD2-CG 4.16Å; F144-L161 HydrophobicContact CE2-CB 4.01Å; F144-L161 HydrophobicContact CE2-CD1 3.95Å; F144-L161 HydrophobicContact CE2-CG 4.29Å; L159-L161 HydrophobicContact CD1-CD2 4.39Å; L159-L161 HydrophobicContact CD2-CD1 4.12Å; L159-L161 HydrophobicContact CD2-CD2 3.91Å; L159-L161 HydrophobicContact CD2-CG 4.1Å; L159-L161 HydrophobicContact CG-CD2 3.9Å; L159-L161 HydrophobicContact CG-CG 4.04Å; L161-L163 HydrophobicContact CB-CG 4.37Å
162Y92.9Very high83.4Confident13 Ų1338 Ų385%0.05119%0.194CC..EExtended strand (participates in β ladder)trans-105.6130.7160.2169.7-87.2000108.7R34 R36 E133 L139 A164 L186R34-Y162 HydrophobicContact CG-CE1 4.38Å; R36-Y162 HydrophobicContact CB-CD1 4.35Å; R36-Y162 PolarHBondContact N-O 2.74Å; R36-Y162 PolarHBondContact O-N 2.91Å; E133-Y162 PolarHBondContact OE1-OH 2.84Å; L139-Y162 HydrophobicContact CB-CE2 3.85Å; Y162-A164 HydrophobicContact CE1-CB 3.69Å; Y162-A164 WeakPolarHBondContact OH-CB 3.46Å; Y162-L186 HydrophobicContact CD2-CD1 3.95Å; Y162-L186 HydrophobicContact CE2-CD1 4.42Å; Y162-L186 HydrophobicContact CG-CD1 4.35Å
163L92.8Very high83.8Confident19 Ų1938 Ų3810%0.09920%0.198CC..EExtended strand (participates in β ladder)trans-133.1121.2-175.9-62.8172.1000107.6R34 V35 V123 L128 I130 F144 L161R34-L163 WeakPolarHBondContact O-CA 3.13Å; V35-L163 HydrophobicContact CB-CD2 4.18Å; V35-L163 HydrophobicContact CG1-CD2 3.85Å; V35-L163 HydrophobicContact CG2-CD2 3.81Å; V123-L163 HydrophobicContact CG1-CD1 4.17Å; L128-L163 HydrophobicContact CD2-CD1 3.62Å; I130-L163 HydrophobicContact CD1-CB 4.44Å; I130-L163 HydrophobicContact CG1-CB 4.28Å; I130-L163 HydrophobicContact CG2-CB 4.5Å; F144-L163 HydrophobicContact CZ-CD1 4.25Å; L161-L163 HydrophobicContact CB-CG 4.37Å
164A91.3Very high83.2Confident0 Ų042.8 Ų42.80%022%0.221CC..EExtended strand (participates in β ladder)trans-147.7134.4178.500000110.8R34 E133 L139 Y162R34-A164 PolarHBondContact N-O 3.39Å; R34-A164 PolarHBondContact O-N 3.42Å; R34-A164 VanDerWaalsContact O-N 3.08Å; E133-A164 HydrophobicContact CG-CB 3.69Å; L139-A164 HydrophobicContact CD1-CB 3.8Å; Y162-A164 HydrophobicContact CE1-CB 3.69Å; Y162-A164 WeakPolarHBondContact OH-CB 3.46Å
165Y91.9Very high82.2Confident17 Ų1741.4 Ų41.47%0.06722%0.219CC..EExtended strand (participates in β ladder)trans-71.6139169.2-67.9-61.7000109.7R31 L33 V95 P97 I130 G131 T132 E133R31-Y165 HydrophobicContact CB-CD1 3.86Å; R31-Y165 HydrophobicContact CB-CE1 4.21Å; R31-Y165 HydrophobicContact CG-CD1 4.42Å; L33-Y165 HydrophobicContact CB-CD1 4.14Å; L33-Y165 HydrophobicContact CB-CE1 4.21Å; L33-Y165 HydrophobicContact CD1-CD1 3.84Å; L33-Y165 HydrophobicContact CD1-CE1 3.84Å; L33-Y165 HydrophobicContact CD1-CG 4.43Å; L33-Y165 HydrophobicContact CG-CE1 4.47Å; V95-Y165 HydrophobicContact CG2-CE1 3.94Å; P97-Y165 WeakPolarHBondContact CB-OH 3.23Å; P97-Y165 HydrophobicContact CG-CE1 3.95Å; I130-Y165 HydrophobicContact CB-CD2 3.97Å; I130-Y165 HydrophobicContact CB-CE2 3.59Å; I130-Y165 HydrophobicContact CD1-CE2 4.48Å; I130-Y165 HydrophobicContact CG2-CD2 3.55Å; I130-Y165 HydrophobicContact CG2-CE2 3.61Å; I130-Y165 HydrophobicContact CG2-CG 4.05Å; I130-Y165 WeakPolarHBondContact O-CD2 3.3Å; G131-Y165 PolarHBondContact O-N 3.38Å; T132-Y165 CarbonylContact C-O 3.56Å; T132-Y165 VanDerWaalsContact CA-O 3.27Å; T132-Y165 WeakPolarHBondContact CA-O 3.33Å; E133-Y165 PolarHBondContact N-O 2.81Å
166L87.6Confident80.4Confident2 Ų243 Ų431%0.0123%0.231CC..PPolyproline II helixtrans-72155.6170.9-79.2165.2000110.7R31 L32 I92 E133 S168 L170 L180 P181R31-L166 PolarHBondContact NH2-O 2.98Å; L32-L166 HydrophobicContact CB-CB 4.11Å; L32-L166 HydrophobicContact CB-CD1 3.75Å; L32-L166 HydrophobicContact CB-CG 4.47Å; L32-L166 HydrophobicContact CD1-CD1 4.23Å; L32-L166 PolarHBondContact O-N 3.07Å; I92-L166 HydrophobicContact CD1-CD1 4.06Å; I92-L166 HydrophobicContact CG2-CD1 4.15Å; E133-L166 WeakPolarHBondContact OE2-CD2 3.48Å; L166-S168 PolarHBondContact O-N 3.41Å; L166-L170 HydrophobicContact CB-CD1 4Å; L166-L170 HydrophobicContact CD2-CD1 4.21Å; L166-L180 HydrophobicContact CD1-CD2 3.66Å; L166-P181 HydrophobicContact CD2-CG 3.64Å
167P81.8Confident78.6Confident22 Ų2242.6 Ų42.614%0.14323%0.233CC..PPolyproline II helixtrans-48.7134.9177.7-30.234.3000113.2H169 L170P167-H169 WeakPolarHBondContact CB-CE1 3.22Å; P167-H169 PolarHBondContact O-N 3.28Å; P167-L170 HydrophobicContact CB-CD1 4.44Å; P167-L170 HydrophobicContact CG-CD1 4.44Å; P167-L170 WeakPolarHBondContact O-CB 3.42Å; P167-L170 PolarHBondContact O-N 3.24Å
168S73.2Confident76.6Confident102 Ų10252.9 Ų52.971%0.71327%0.269SS*.THydrogen-bonded Turntrans-65.2-8.9-175.739.30000115.1L166 L170L166-S168 PolarHBondContact O-N 3.41Å; S168-L170 VanDerWaalsContact C-N 3.32Å
169H74.3Confident74.6Confident151 Ų15155.6 Ų55.670%0.69928%0.28SS*.THydrogen-bonded Turntrans-77.8-14.3170.566.3-111.1000113.6P167 N171P167-H169 WeakPolarHBondContact CB-CE1 3.22Å; P167-H169 PolarHBondContact O-N 3.28Å; H169-N171 PolarHBondContact O-N 2.86Å
170L75.9Confident72.6Confident20 Ų2057.1 Ų57.111%0.10529%0.288CS..SBendtrans-81.2100.8176.2-71.7162.2000109.7L32 L166 P167 S168 P172 Q179L32-L170 HydrophobicContact CD1-CB 4.42Å; L166-L170 HydrophobicContact CB-CD1 4Å; L166-L170 HydrophobicContact CD2-CD1 4.21Å; P167-L170 HydrophobicContact CB-CD1 4.44Å; P167-L170 HydrophobicContact CG-CD1 4.44Å; P167-L170 WeakPolarHBondContact O-CB 3.42Å; P167-L170 PolarHBondContact O-N 3.24Å; S168-L170 VanDerWaalsContact C-N 3.32Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å; L170-Q179 HydrophobicContact CD2-CB 4.46Å
171N72.1Confident70.6Confident75 Ų7557.6 Ų57.640%0.40129%0.294SS..  trans-64.7116.8-178.6-175.7-18.8000111.2H169 Q173 I174 T175H169-N171 PolarHBondContact O-N 2.86Å; N171-Q173 PolarHBondContact O-N 2.93Å; N171-Q173 VanDerWaalsContact OD1-CB 3.25Å; N171-Q173 WeakPolarHBondContact OD1-CB 3.46Å; N171-Q173 PolarHBondContact OD1-N 3.08Å; N171-I174 HydrophobicContact CB-CB 4.4Å; N171-I174 WeakPolarHBondContact ND2-CD1 3.5Å; N171-I174 PolarHBondContact O-N 2.8Å; N171-T175 PolarHBondContact O-N 2.77Å; N171-T175 PolarHBondContact O-OG1 3.06Å
172P72.5Confident68.5Low19 Ų1963 Ų6312%0.12333%0.329CS..THydrogen-bonded Turntrans-68.6-18.4-177.629.9-37.6000113.9T30 L32 R94 L170T30-P172 HydrophobicContact CG2-CB 4.09Å; T30-P172 HydrophobicContact CG2-CG 4.15Å; L32-P172 HydrophobicContact CD2-CB 3.92Å; L32-P172 HydrophobicContact CG-CB 4.07Å; R94-P172 HydrophobicContact CG-CB 4.28Å; R94-P172 PolarHBondContact NE-O 3.32Å; R94-P172 PolarHBondContact NH2-O 2.83Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å
173Q64.5Low66.3Low90 Ų9067.8 Ų67.842%0.42136%0.355SS..THydrogen-bonded Turntrans-77.2-30.5176.9-60.9-85.225.300112.2L23 C26 N171L23-Q173 WeakPolarHBondContact CD2-O 3.28Å; C26-Q173 VanDerWaalsContact CB-CD 3.44Å; C26-Q173 HydrophobicContact CB-CG 4.42Å; C26-Q173 PolarHBondContact SG-OE1 3.15Å; C26-Q173 VanDerWaalsContact SG-OE1 3.38Å; N171-Q173 PolarHBondContact O-N 2.93Å; N171-Q173 VanDerWaalsContact OD1-CB 3.25Å; N171-Q173 WeakPolarHBondContact OD1-CB 3.46Å; N171-Q173 PolarHBondContact OD1-N 3.08Å
174I58.2Low64.2Low120 Ų12070.8 Ų70.862%0.61537%0.374SS*.THydrogen-bonded Turntrans-115.71.4-163.6-58.4-178.6000112.4N171 S176N171-I174 HydrophobicContact CB-CB 4.4Å; N171-I174 WeakPolarHBondContact ND2-CD1 3.5Å; N171-I174 PolarHBondContact O-N 2.8Å; I174-S176 PolarHBondContact O-N 2.84Å
175T54.2Low61.5Low25 Ų2579.4 Ų79.415%0.15341%0.414CS..  trans-6486.7-163.9-27.50000114.5L32 N171 L180L32-T175 HydrophobicContact CD1-CG2 3.88Å; N171-T175 PolarHBondContact O-N 2.77Å; N171-T175 PolarHBondContact O-OG1 3.06Å; T175-L180 HydrophobicContact CG2-CD2 4.26Å
176S48.8Very low59Low61 Ų6182.4 Ų82.443%0.42743%0.43SS..  trans-67141.216780.10000109.3I174 R178 Q179I174-S176 PolarHBondContact O-N 2.84Å; S176-R178 PolarHBondContact O-N 3.2Å; S176-Q179 PolarHBondContact O-N 3.01Å; S176-Q179 PolarHBondContact OG-OE1 3.4Å; S176-Q179 VanDerWaalsContact OG-OE1 3.13Å
177L50.8Low56.2Low53 Ų5386.8 Ų86.828%0.27746%0.462SS..THydrogen-bonded Turntrans-68.77.9-167.4-117.9170.8000115.9H15 L16 L180H15-L177 HydrophobicContact CB-CD1 3.72Å; H15-L177 WeakPolarHBondContact ND1-CD1 3.43Å; L16-L177 HydrophobicContact CB-CD2 3.89Å; L16-L177 WeakPolarHBondContact O-CD1 3.34Å; L16-L177 VanDerWaalsContact O-CD2 3.29Å; L16-L177 WeakPolarHBondContact O-CD2 3.45Å; L177-L180 HydrophobicContact CD2-CD1 4.08Å
178R48Very low53.5Low227 Ų22791.6 Ų91.686%0.85750%0.495SS*.THydrogen-bonded Turntrans-100.6-6.7-179-61.8-177.6178.8-173.9-0113.5S176S176-R178 PolarHBondContact O-N 3.2Å
179Q50.3Low51.3Low118 Ų11893.2 Ų93.255%0.55149%0.492SS*.  trans-106.7-1.9-171.2-68.9169.8-57.200114.8L170 S176L170-Q179 HydrophobicContact CD2-CB 4.46Å; S176-Q179 PolarHBondContact O-N 3.01Å; S176-Q179 PolarHBondContact OG-OE1 3.4Å; S176-Q179 VanDerWaalsContact OG-OE1 3.13Å
180L55.2Low49.1Very low32 Ų3295.2 Ų95.217%0.16850%0.501CS..SBendtrans-73139.8179.5-69.2172.6000111.9L16 I92 L166 T175 L177L16-L180 HydrophobicContact CB-CD1 4.45Å; I92-L180 HydrophobicContact CG1-CD1 4.1Å; L166-L180 HydrophobicContact CD1-CD2 3.66Å; T175-L180 HydrophobicContact CG2-CD2 4.26Å; L177-L180 HydrophobicContact CD2-CD1 4.08Å
181P52.5Low46.7Very low44 Ų44103.3 Ų103.329%0.28654%0.539SS..PPolyproline II helixtrans-67.6151.6179.528-34.7000111.9R34 L166R34-P181 PolarHBondContact NH2-O 3.2Å; R34-P181 VanDerWaalsContact NH2-O 3.07Å; L166-P181 HydrophobicContact CD2-CG 3.64Å
182P49.8Very low44.5Very low114 Ų114111.1 Ų111.174%0.7456%0.563SS**PPolyproline II helixtrans-54.2157.5-178-26.335.1000114.2V184P182-V184 PolarHBondContact O-N 3.05Å
183L47.3Very low42.4Very low113 Ų113117.6 Ų117.659%0.59260%0.596SS**PPolyproline II helixtrans-61.8119.9170.7-74.7162.8000109.6E90 E185E90-L183 VanDerWaalsContact CD-CD2 3.45Å; E90-L183 VanDerWaalsContact OE1-CD2 3.27Å; E90-L183 WeakPolarHBondContact OE1-CD2 3.47Å; E90-L183 VanDerWaalsContact OE2-CD2 3.25Å; E90-L183 WeakPolarHBondContact OE2-CD2 3.45Å; L183-E185 PolarHBondContact O-N 3Å
184V47.1Very low40.7Very low82 Ų82118.7 Ų118.750%0.49761%0.614SS.*PPolyproline II helixtrans-75.3122.5165.7-1780000108.3R36 P182R36-V184 PolarHBondContact NH1-O 3.37Å; R36-V184 PolarHBondContact NH2-O 3.25Å; R36-V184 VanDerWaalsContact NH2-O 3.15Å; P182-V184 PolarHBondContact O-N 3.05Å
185E35.9Very low39.5Very low181 Ų181122.8 Ų122.885%0.84663%0.63SS**PPolyproline II helixtrans-76.5118.4166-69.6-170.2136.600108.8L183 S187L183-E185 PolarHBondContact O-N 3Å; E185-S187 PolarHBondContact O-N 3.22Å
186L38Very low38.5Very low79 Ų79125.2 Ų125.241%0.41466%0.661SS.*  trans-79.4105172.3-82.6156.2000107.8Y162 S188Y162-L186 HydrophobicContact CD2-CD1 3.95Å; Y162-L186 HydrophobicContact CE2-CD1 4.42Å; Y162-L186 HydrophobicContact CG-CD1 4.35Å; L186-S188 PolarHBondContact O-N 2.94Å
187S28.8Very low37.6Very low95 Ų95131.5 Ų131.566%0.66468%0.683SS**  trans-59.2125.4177.941.20000111.3E185 E189E185-S187 PolarHBondContact O-N 3.22Å; S187-E189 PolarHBondContact O-N 3.2Å; S187-E189 VanDerWaalsContact O-N 3.16Å
188S26.9Very low36.7Very low122 Ų122136.9 Ų136.985%0.85371%0.711SS**  trans-83.688.8-174.156.70000111.9L186L186-S188 PolarHBondContact O-N 2.94Å
189E26.7Very low36Very low136 Ų136131 Ų13164%0.63671%0.705SS**  trans-85.4154167.9-60.8-174.5101.600111R138 S187R138-E189 IonicContact CZ-OE2 3.4Å; R138-E189 IonicContact NH1-OE2 3.91Å; R138-E189 IonicContact NH2-OE2 2.78Å; R138-E189 PolarHBondContact NH2-OE2 2.91Å; S187-E189 PolarHBondContact O-N 3.2Å; S187-E189 VanDerWaalsContact O-N 3.16Å
190Q26.9Very low35.2Very low193 Ų193130.3 Ų130.390%0.90271%0.713SS**  trans83.554.2-178.9-53.7-173.4-12.300118.5
191Q27.4Very low34.2Very low190 Ų190135.7 Ų135.789%0.88875%0.748SS**  trans-13090.1138.8-88-167.2-34.300109.8
192R25.2Very low33.4Very low240 Ų240139.3 Ų139.391%0.90677%0.771SS**  trans-164.5140.5166.4-108.3168-147.8-138.83.6110.5
193N27.5Very low32.7Very low154 Ų154141 Ų14182%0.82478%0.779SS**  trans97.373.7171-56.6-1000117.8
194S29.9Very low32.3Very low114 Ų114140.4 Ų140.480%0.79779%0.785SS**  trans-17995.7130.252.80000111.7
195E33Very low31.8Very low205 Ų205141.6 Ų141.696%0.95880%0.797SS**  trans-172.1147.5134.6-106.5166.4-157.800110
196G32.3Very low31.8Very low77 Ų77137.5 Ų137.579%0.79479%0.788SS**  trans-92.7160.6-166.400000114.6
197Q30.8Very low32.1Very low193 Ų193143.1 Ų143.190%0.90281%0.812SS**  trans-67.1150.8171.8-60.8168.1-34.800111.8
198L32.2Very low32.6Very low165 Ų165150.2 Ų150.286%0.86482%0.824SS**  trans-161.3140.7138.9-109.9163000113.1
199S33.4Very low33.4Very low104 Ų104149.7 Ų149.773%0.72782%0.817SS**  trans51.988.1160.553.80000120.6
200S32.4Very low34.1Very low104 Ų104148.9 Ų148.973%0.72783%0.827SS**  trans-32.1152.3146.552.20000119.7
201T33.8Very low34.7Very low144 Ų144147.4 Ų147.488%0.88382%0.824SS**  -176.2121.2124.817.40000114.1
202P35.2Very low35.4Very low121 Ų121143.3 Ų143.379%0.78681%0.814SS**  trans-135.7151.4173.839.7-25.4000116.6
203V36.9Very low35.9Very low148 Ų148137.6 Ų137.690%0.89781%0.806SS**  trans-148.8143.7169.1-173.70000113.5
204S38.7Very low36.4Very low102 Ų102139.3 Ų139.371%0.71381%0.809SS**  trans-42.4154.9174.8-480000118.2
205S36.3Very low36.5Very low107 Ų107139.6 Ų139.675%0.74881%0.811SS**  cis88.1149.326.196.60000116.4
206S36.4Very low36.5Very low95 Ų95135.2 Ų135.266%0.66480%0.803SS**  cis176.2129.5-20.449.80000113.5
207H42.5Very low36.4Very low197 Ų197137.4 Ų137.491%0.91281%0.806SS**  trans-154.9124.6175.4-90.5-18.3000120.7
208R39.8Very low36.8Very low244 Ų244133.5 Ų133.592%0.92180%0.798SS**  trans61.8156.2143.3-79.5-148.3161-163.4-3.8126
209P43.4Very low36.8Very low110 Ų110131.8 Ų131.871%0.71479%0.794SS**  trans-141.2-177.6-151.945.6-26.5000118.9
210S41.9Very low36.8Very low119 Ų119134.3 Ų134.383%0.83280%0.798SS**  trans-157.5172.5152.755.10000113.4
211L39.1Very low36.9Very low162 Ų162133.7 Ų133.785%0.84880%0.799SS**  trans-107.1177.3-164.1-90.478.4000113.5
212P42.4Very low36.9Very low105 Ų105134.9 Ų134.968%0.68279%0.794SS**  cis-137.6-177-28.332.5-11.4000114.6
213T35.7Very low36.8Very low119 Ų119136.1 Ų136.173%0.7379%0.793SS**  144.1139.1116.7-38.40000114.1
214Q38.9Very low36.7Very low191 Ų191133 Ų13389%0.89378%0.778SS**  trans70147.2174.9-45.7-159.732.500115.9
215S31.4Very low36.4Very low120 Ų120134.9 Ų134.984%0.83978%0.78SS**  trans-146.5131.1-14957.40000115.6
216S32.7Very low36.3Very low113 Ų113135 Ų13579%0.7978%0.776SS**  trans-151.6125.416750.90000111.6
217S31.3Very low36.4Very low123 Ų123137.1 Ų137.186%0.8678%0.779SS**  trans57.2-154.6169.2-55.70000115
218P38.3Very low36.2Very low111 Ų111133.9 Ų133.972%0.72177%0.768SS**  -130.4151-9839.7-23.7000118.2
219V32.3Very low36.2Very low129 Ų129129.2 Ų129.278%0.78276%0.762SS**  trans74.7134.6135.2169.10000122.5
220I33.4Very low36Very low157 Ų157129.8 Ų129.881%0.80576%0.759SS**  trans94.9139.2152.2-95.4165.7000123.4
221A34Very low35.9Very low91 Ų91129.1 Ų129.175%0.75275%0.75SS**  trans64.8155.8157.800000122.7
222E35Very low35.8Very low168 Ų168127.2 Ų127.279%0.78574%0.74SS**  cis-172.2174.5-32.8-156.8175.4-129.900110.2
223L32.9Very low35.5Very low147 Ų147127.3 Ų127.377%0.7774%0.735SS**  trans72.9150.1161.3-59170.4000118.8
224S34.7Very low35.6Very low82 Ų82130.8 Ų130.857%0.57374%0.735SS**  cis-173.9167.5-14.852.80000112.3
225N32.9Very low35.4Very low142 Ų142126.3 Ų126.376%0.75972%0.72SS**  trans77.1147.2159.1-64.7-1.1000118.7
226T33.5Very low35.7Very low109 Ų109127.4 Ų127.467%0.66971%0.712SS**  cis-166.4172.30.612.90000112
227I38.2Very low35.7Very low141 Ų141128.4 Ų128.472%0.72371%0.708SS**  trans76.6134.6150.6-80.3154.6000117.2
228D37.5Very low35.9Very low128 Ų128126.5 Ų126.568%0.68470%0.695SS**  cis-157.9171.3-5.1-98.8-16.4000112.5
229D39.8Very low35.6Very low147 Ų147132 Ų13279%0.78670%0.701SS**  trans65.1145.1150.3-79.88.7000123.2
230D40.6Very low35.7Very low121 Ų121131.3 Ų131.365%0.64769%0.693SS**  cis-166.2168.2-13.7-170.728.7000113.2
231T39.2Very low35.6Very low106 Ų106129 Ų12965%0.6569%0.686SS**  trans52.1143.5151.735.30000122.9
232D37.9Very low35.5Very low121 Ų121129.1 Ų129.165%0.64768%0.681SS**  cis-165.9159.1-12.2-153.3-2.1000114.8
233N35.9Very low35.4Very low107 Ų107127.5 Ų127.557%0.57268%0.677SS**  trans56.5154.6144.3-89.9-42.4000122.6
234R36.3Very low35.3Very low193 Ų193128.6 Ų128.673%0.72868%0.678SS**  cis-158.6140.18.4-132-158.4155.459.8-0.6112.8
235V35.8Very low35.1Very low96 Ų96129.4 Ų129.458%0.58268%0.684SS**  trans64.8138.3130.4159.40000120.7
236H37.4Very low35Very low144 Ų144129.5 Ų129.567%0.66768%0.684SS**  cis-164.2153.83.4-122.5-163.4000115.9
237L33.9Very low34.7Very low134 Ų134130.4 Ų130.470%0.70269%0.69SS**  trans40154.2139.3-86.747.5000124.1
238S34.6Very low34.2Very low83 Ų83129.4 Ų129.458%0.5869%0.69SS**  cis173.8160.4-25.758.30000114.4
239R32.2Very low33.7Very low225 Ų225128.1 Ų128.185%0.84969%0.691SS**  trans70.7155.2147-80.6-173.6168.1149.6-2.1117.9
240N33.1Very low33Very low116 Ų116127.7 Ų127.762%0.6269%0.693SS**  cis-159.3158.4-0.6-134.521.5000113.2
241T32.2Very low32.4Very low108 Ų108127.5 Ų127.566%0.66370%0.697SS**  trans29.6149.3138.256.90000122.8
242S31.5Very low31.8Very low93 Ų93131.5 Ų131.565%0.6571%0.708SS**  cis176.8158.8444.50000114.9
243I32.6Very low31.4Very low135 Ų135132 Ų13269%0.69272%0.716SS**  trans83.7133.2137.3-80.6163.5000122.6
244E31.4Very low31Very low170 Ų170134 Ų13479%0.79473%0.731SS**  trans55159.4156.3-76.4154.3-143.900121.4
245S30.6Very low30.5Very low99 Ų99131.4 Ų131.469%0.69274%0.737SS**  cis-170.2172.2-35.2-99.70000111.1
246D30.4Very low30.2Very low143 Ų143130 Ų13077%0.76574%0.742SS**  trans7095.3152.4-70.79.9000123.7
247T27.8Very low30Very low128 Ų128129.6 Ų129.679%0.78575%0.752SS**  70.7147.912314.40000126.3
248V27.1Very low29.7Very low120 Ų120132 Ų13273%0.72776%0.761SS**  trans88.379.5149.3175.50000120.3
249S26.8Very low29.5Very low102 Ų102136.3 Ų136.371%0.71378%0.777SS**  71.6165.2122.680.10000123.9
250V26.1Very low29.2Very low137 Ų137131.1 Ų131.183%0.8378%0.775SS**  trans89.3147.8171.6-172.40000116
251T28.1Very low29Very low118 Ų118131.7 Ų131.772%0.72478%0.783SS**  trans-78.6146.9-168.1480000114.2
252E25.6Very low28.6Very low190 Ų190132.5 Ų132.589%0.88879%0.793SS**  -169.8171.7111.6-107177.7179.500113.6
253T30.9Very low28.6Very low131 Ų131134.9 Ų134.980%0.80480%0.798SS**  trans-89.1138-174.3-50.10000112.1
254V26Very low28.6Very low148 Ų148134.8 Ų134.890%0.89780%0.799SS**  trans-156.3163.8156.3126.40000110.8
255V26.7Very low28.9Very low140 Ų140135.9 Ų135.985%0.84880%0.804SS**  trans-115.3145.5-159.3174.50000114.1
256G29.6Very low29.7Very low66 Ų66136.9 Ų136.968%0.6880%0.802SS**  trans118.7171.6152.600000116.3
257P32.5Very low30.7Very low135 Ų135132.9 Ų132.988%0.87779%0.785SS**  cis-113.6179.3-0.740.4-29.9000114.1
258M28Very low32Very low184 Ų184129 Ų12991%0.90676%0.759SS**  trans-85.8157.3179.3-74.1-176.916100114.2
259L29.7Very low33.5Very low175 Ų175124.2 Ų124.292%0.91673%0.731SS**  trans-121.6121.4151-97.9165.4000108.2
260S26.3Very low34.8Very low115 Ų115124.7 Ų124.780%0.80473%0.731SS**  trans-85.3144.3-17844.80000112
261T28.4Very low36.4Very low129 Ų129119.7 Ų119.779%0.79171%0.707SS**  trans-135.3123.3164.2-70000107.7L263T261-L263 PolarHBondContact O-N 2.98Å
262S25.8Very low38.6Very low125 Ų125116 Ų11687%0.87468%0.68SS**  trans-72110.1179.449.20000110
263L31Very low41.1Very low142 Ų142108.1 Ų108.174%0.74364%0.644SS**  trans-90.6134.1165.9-72.6162.7000108.2T261 E265T261-L263 PolarHBondContact O-N 2.98Å; L263-E265 PolarHBondContact O-N 2.89Å
264D33Very low43.4Very low134 Ų134105.9 Ų105.972%0.71762%0.624SS**  trans-59.2127.4179.7-79.3-59.2000111.5N266 S267D264-N266 PolarHBondContact O-N 2.91Å; D264-S267 VanDerWaalsContact O-CB 3.3Å; D264-S267 WeakPolarHBondContact O-CB 3.42Å; D264-S267 PolarHBondContact O-N 3.22Å; D264-S267 PolarHBondContact O-OG 3.32Å
265E37.3Very low45.9Very low192 Ų192102 Ų10290%0.89759%0.594SS**THydrogen-bonded Turntrans-58.8-11.6-179.5-67.5-172.4118.300114.2L263L263-E265 PolarHBondContact O-N 2.89Å
266N47.4Very low48Very low121 Ų12199.6 Ų99.665%0.64758%0.579SS**THydrogen-bonded Turntrans-96.26.3176.7-76.8-57000114.8D264 R296D264-N266 PolarHBondContact O-N 2.91Å; N266-R296 PolarHBondContact OD1-NH1 3.48Å
267S50.9Low49.8Very low59 Ų5998.1 Ų98.141%0.41356%0.556SS.*PPolyproline II helixtrans-85.1119.7-177.8-52.40000112.5D264D264-S267 VanDerWaalsContact O-CB 3.3Å; D264-S267 WeakPolarHBondContact O-CB 3.42Å; D264-S267 PolarHBondContact O-N 3.22Å; D264-S267 PolarHBondContact O-OG 3.32Å
268L56.1Low50.7Low46 Ų4699.2 Ų99.224%0.24155%0.549CS..PPolyproline II helixtrans-71.2148.3171-61.2170.2000111.3W272 E274 Y284 R296 P297L268-W272 HydrophobicContact CB-CB 4.2Å; L268-E274 HydrophobicContact CD1-CB 3.75Å; L268-Y284 HydrophobicContact CD2-CD1 3.82Å; L268-Y284 HydrophobicContact CD2-CE1 3.82Å; L268-R296 HydrophobicContact CD2-CG 4.21Å; L268-P297 HydrophobicContact CD2-CG 3.97Å
269P58.6Low51.9Low20 Ų2095.5 Ų95.513%0.1353%0.533CS..PPolyproline II helixtrans-67.2150.9177.2-18.531.7000112.2G271 W272 P297 F299P269-G271 PolarHBondContact O-N 3.35Å; P269-G271 VanDerWaalsContact O-N 3.09Å; P269-W272 WeakPolarHBondContact O-CB 3.32Å; P269-W272 PolarHBondContact O-N 2.93Å; P269-P297 WeakPolarHBondContact CD-O 3.17Å; P269-P297 HydrophobicContact CG-CB 4.22Å; P269-P297 VanDerWaalsContact CG-O 3.27Å; P269-P297 WeakPolarHBondContact CG-O 3.22Å; P269-F299 HydrophobicContact CB-CD2 4.23Å; P269-F299 HydrophobicContact CB-CE1 4.36Å; P269-F299 HydrophobicContact CB-CE2 3.91Å; P269-F299 HydrophobicContact CB-CZ 4Å; P269-F299 HydrophobicContact CG-CD2 3.98Å; P269-F299 HydrophobicContact CG-CE2 4.15Å; P269-F299 HydrophobicContact CG-CG 4.34Å
270P53.8Low53.1Low111 Ų11190 Ų9072%0.72152%0.518SS*.THydrogen-bonded Turntrans-51.8116.2-178.6-30.835.5000113.7F299P270-F299 VanDerWaalsContact CD-CZ 3.48Å; P270-F299 HydrophobicContact CG-CZ 4.49Å
271G58Low54.4Low32 Ų3292.2 Ų92.233%0.3351%0.509SS..THydrogen-bonded Turntrans100.63.5-177.700000115.1P269 H287P269-G271 PolarHBondContact O-N 3.35Å; P269-G271 VanDerWaalsContact O-N 3.09Å; G271-H287 VanDerWaalsContact O-CB 3.31Å; G271-H287 WeakPolarHBondContact O-CB 3.39Å; G271-H287 PolarHBondContact O-N 3.06Å
272W76.2Confident56.2Low41 Ų4188.8 Ų88.816%0.15549%0.487CS..EExtended strand (participates in β ladder)trans-102.9130.6171.8-67.183.5000112.2L268 P269 M285 D286 Q293 P297L268-W272 HydrophobicContact CB-CB 4.2Å; P269-W272 WeakPolarHBondContact O-CB 3.32Å; P269-W272 PolarHBondContact O-N 2.93Å; W272-M285 VanDerWaalsContact CA-O 3.3Å; W272-M285 WeakPolarHBondContact CA-O 3.5Å; W272-D286 HydrophobicContact CD2-CB 4.14Å; W272-D286 HydrophobicContact CE3-CB 3.89Å; W272-D286 HydrophobicContact CH2-CB 3.78Å; W272-D286 HydrophobicContact CZ2-CB 4Å; W272-D286 WeakPolarHBondContact CZ2-OD2 3.5Å; W272-D286 HydrophobicContact CZ3-CB 3.71Å; W272-Q293 HydrophobicContact CH2-CG 4.32Å; W272-Q293 HydrophobicContact CZ3-CG 3.91Å; W272-P297 HydrophobicContact CB-CG 3.88Å; W272-P297 HydrophobicContact CD2-CB 3.56Å; W272-P297 HydrophobicContact CD2-CG 3.51Å; W272-P297 HydrophobicContact CE3-CB 3.81Å; W272-P297 HydrophobicContact CE3-CG 3.59Å; W272-P297 HydrophobicContact CG-CB 3.99Å; W272-P297 HydrophobicContact CG-CG 3.68Å; W272-P297 HydrophobicContact CH2-CB 4.16Å; W272-P297 HydrophobicContact CZ2-CB 3.96Å; W272-P297 HydrophobicContact CZ3-CB 4.1Å; W272-P297 HydrophobicContact CZ3-CG 4.24Å
273D76.5Confident58.4Low24 Ų2485.6 Ų85.613%0.12846%0.457CS..EExtended strand (participates in β ladder)trans-98.4151.3164.5-87.30.2000110.5R275 Y284 M285 H287D273-R275 HydrophobicContact CB-CG 4.35Å; D273-R275 IonicContact OD2-CZ 2.66Å; D273-R275 IonicContact OD2-NE 3.27Å; D273-R275 PolarHBondContact OD2-NE 3.47Å; D273-R275 IonicContact OD2-NH2 2.66Å; D273-R275 PolarHBondContact OD2-NH2 3.19Å; D273-Y284 CarbonylContact O-C 3.5Å; D273-Y284 WeakPolarHBondContact O-CA 3.24Å; D273-M285 HydrophobicContact CB-CB 3.91Å; D273-M285 PolarHBondContact N-O 2.81Å; D273-M285 PolarHBondContact O-N 3.46Å; D273-H287 IonicContact OD1-CD2 2.68Å; D273-H287 IonicContact OD1-NE2 3.44Å; D273-H287 PolarHBondContact OD1-NE2 2.65Å; D273-H287 IonicContact OD2-CD2 3.54Å; D273-H287 IonicContact OD2-CE1 2.69Å; D273-H287 IonicContact OD2-NE2 1.88Å; D273-H287 PolarHBondContact OD2-NE2 2.89Å
274E80.1Confident60.7Low84 Ų8479.8 Ų79.839%0.39343%0.425SS..EExtended strand (participates in β ladder)trans-97.9138.6159.5-174.5170.6148.500108.8L268 T282 Y284 R296L268-E274 HydrophobicContact CD1-CB 3.75Å; E274-T282 HydrophobicContact CG-CG2 3.48Å; E274-T282 VanDerWaalsContact CG-CG2 3.48Å; E274-Y284 HydrophobicContact CB-CD1 3.96Å; E274-Y284 HydrophobicContact CB-CE1 3.78Å; E274-Y284 HydrophobicContact CG-CD1 4.05Å; E274-Y284 HydrophobicContact CG-CE1 3.48Å; E274-Y284 VanDerWaalsContact CG-CE1 3.48Å; E274-Y284 WeakPolarHBondContact OE2-CE1 3.41Å; E274-R296 IonicContact OE2-CZ 3.37Å; E274-R296 IonicContact OE2-NE 2.72Å; E274-R296 IonicContact OE2-NH2 3.51Å; E274-R296 PolarHBondContact OE2-NH2 2.96Å
275R77.6Confident62.5Low68 Ų6875.3 Ų75.326%0.25740%0.4SS..EExtended strand (participates in β ladder)trans-140.8162.3-172.9-64.5-76.3175160.9-8.1109.1D273 T282 Y283 M285D273-R275 HydrophobicContact CB-CG 4.35Å; D273-R275 IonicContact OD2-CZ 2.66Å; D273-R275 IonicContact OD2-NE 3.27Å; D273-R275 PolarHBondContact OD2-NE 3.47Å; D273-R275 IonicContact OD2-NH2 2.66Å; D273-R275 PolarHBondContact OD2-NH2 3.19Å; R275-T282 CarbonylContact O-C 3.6Å; R275-T282 VanDerWaalsContact O-CA 3.28Å; R275-T282 WeakPolarHBondContact O-CA 3.19Å; R275-Y283 HydrophobicContact CB-CD1 3.81Å; R275-Y283 HydrophobicContact CB-CD2 4.05Å; R275-Y283 HydrophobicContact CB-CE1 3.39Å; R275-Y283 HydrophobicContact CB-CE2 3.67Å; R275-Y283 HydrophobicContact CB-CG 4.11Å; R275-Y283 HydrophobicContact CG-CE1 4.45Å; R275-Y283 HydrophobicContact CG-CE2 4Å; R275-Y283 PolarHBondContact N-O 2.9Å; R275-Y283 PolarHBondContact O-N 3.12Å; R275-Y283 VanDerWaalsContact O-O 3.11Å; R275-M285 HydrophobicContact CG-CB 4.21Å; R275-M285 HydrophobicContact CG-CG 4.31Å; R275-M285 HydrophobicContact CG-SD 3.81Å
276V71.1Confident63.9Low89 Ų8966.3 Ų66.354%0.53936%0.358SS..EExtended strand (participates in β ladder)trans-127.2136.5175.4-173.40000108.6G280 R281V276-G280 VanDerWaalsContact CG1-C 3.44Å; V276-R281 WeakPolarHBondContact CA-O 3.4Å
277D67.8Low64.2Low35 Ų3563.8 Ų63.819%0.18734%0.343CS..  trans-79.8175.6176.786.4-15.2000112.5N279 G280 R281 Y283 W294D277-N279 PolarHBondContact O-N 2.96Å; D277-N279 VanDerWaalsContact O-N 3.07Å; D277-N279 VanDerWaalsContact OD1-C 3.28Å; D277-N279 VanDerWaalsContact OD1-CA 3.26Å; D277-N279 WeakPolarHBondContact OD1-CA 3.48Å; D277-N279 WeakPolarHBondContact OD1-CB 3.4Å; D277-N279 PolarHBondContact OD1-N 2.94Å; D277-N279 PolarHBondContact OD2-ND2 3.39Å; D277-G280 PolarHBondContact O-N 3.09Å; D277-G280 VanDerWaalsContact O-N 3.14Å; D277-G280 PolarHBondContact OD1-N 3.16Å; D277-R281 PolarHBondContact N-O 3.49Å; D277-R281 WeakPolarHBondContact OD1-CB 3.29Å; D277-R281 PolarHBondContact OD1-N 3.17Å; D277-Y283 HydrophobicContact CB-CD1 4.31Å; D277-Y283 HydrophobicContact CB-CE1 4.38Å; D277-W294 HydrophobicContact CB-CH2 4.49Å
278Q50.3Low64.3Low157 Ų15765.5 Ų65.573%0.73435%0.35SS*.THydrogen-bonded Turntrans-64.3-8.8177.567.2-175.543.600114.5N622Q278-N622 PolarHBondContact OE1-ND2 2.78Å; Q278-N622 VanDerWaalsContact OE1-ND2 3.08Å
279N55Low64Low107 Ų10767.6 Ų67.657%0.57236%0.362SS*.THydrogen-bonded Turntrans-105.85.7179.5-46.7-64.5000112.3D277 R281D277-N279 PolarHBondContact O-N 2.96Å; D277-N279 VanDerWaalsContact O-N 3.07Å; D277-N279 VanDerWaalsContact OD1-C 3.28Å; D277-N279 VanDerWaalsContact OD1-CA 3.26Å; D277-N279 WeakPolarHBondContact OD1-CA 3.48Å; D277-N279 WeakPolarHBondContact OD1-CB 3.4Å; D277-N279 PolarHBondContact OD1-N 2.94Å; D277-N279 PolarHBondContact OD2-ND2 3.39Å; N279-R281 HydrophobicContact CB-CG 4.42Å
280G54.6Low64.1Low58 Ų5874.7 Ų74.760%0.59839%0.391SS*.SBendtrans8112.5-177.800000115.1V276 D277V276-G280 VanDerWaalsContact CG1-C 3.44Å; D277-G280 PolarHBondContact O-N 3.09Å; D277-G280 VanDerWaalsContact O-N 3.14Å; D277-G280 PolarHBondContact OD1-N 3.16Å
281R52.3Low64.6Low163 Ų16372.2 Ų72.262%0.61537%0.367SS*.  trans-91.6127.7-179.1-59.3177.5177.3-173.5-0.7111.4V276 D277 N279 W294V276-R281 WeakPolarHBondContact CA-O 3.4Å; D277-R281 PolarHBondContact N-O 3.49Å; D277-R281 WeakPolarHBondContact OD1-CB 3.29Å; D277-R281 PolarHBondContact OD1-N 3.17Å; N279-R281 HydrophobicContact CB-CG 4.42Å; R281-W294 HydrophobicContact CB-CE3 4.5Å; R281-W294 HydrophobicContact CB-CZ3 3.75Å
282T66Low65.4Low56 Ų5675.2 Ų75.234%0.34438%0.379SS..EExtended strand (participates in β ladder)trans-69.4135.9175.4-53.80000111.4E274 R275 Y284E274-T282 HydrophobicContact CG-CG2 3.48Å; E274-T282 VanDerWaalsContact CG-CG2 3.48Å; R275-T282 CarbonylContact O-C 3.6Å; R275-T282 VanDerWaalsContact O-CA 3.28Å; R275-T282 WeakPolarHBondContact O-CA 3.19Å; T282-Y284 HydrophobicContact CG2-CE1 4.33Å; T282-Y284 HydrophobicContact CG2-CE2 3.98Å
283Y73.4Confident65.2Low58 Ų5875.2 Ų75.223%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-140.2160.2170.975.2-87.1000110.7R275 D277 M285 T292R275-Y283 HydrophobicContact CB-CD1 3.81Å; R275-Y283 HydrophobicContact CB-CD2 4.05Å; R275-Y283 HydrophobicContact CB-CE1 3.39Å; R275-Y283 HydrophobicContact CB-CE2 3.67Å; R275-Y283 HydrophobicContact CB-CG 4.11Å; R275-Y283 HydrophobicContact CG-CE1 4.45Å; R275-Y283 HydrophobicContact CG-CE2 4Å; R275-Y283 PolarHBondContact N-O 2.9Å; R275-Y283 PolarHBondContact O-N 3.12Å; R275-Y283 VanDerWaalsContact O-O 3.11Å; D277-Y283 HydrophobicContact CB-CD1 4.31Å; D277-Y283 HydrophobicContact CB-CE1 4.38Å; Y283-M285 HydrophobicContact CE2-CG 4.04Å; Y283-M285 HydrophobicContact CE2-SD 4.26Å; Y283-T292 HydrophobicContact CD2-CG2 4.22Å; Y283-T292 HydrophobicContact CE2-CG2 4Å
284Y78.8Confident65Low21 Ų2181.2 Ų81.28%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-118136.1-172.1-58.9-87.3000111.2L268 D273 E274 T282 T292 Q293 W294 D295 R296 P297L268-Y284 HydrophobicContact CD2-CD1 3.82Å; L268-Y284 HydrophobicContact CD2-CE1 3.82Å; D273-Y284 CarbonylContact O-C 3.5Å; D273-Y284 WeakPolarHBondContact O-CA 3.24Å; E274-Y284 HydrophobicContact CB-CD1 3.96Å; E274-Y284 HydrophobicContact CB-CE1 3.78Å; E274-Y284 HydrophobicContact CG-CD1 4.05Å; E274-Y284 HydrophobicContact CG-CE1 3.48Å; E274-Y284 VanDerWaalsContact CG-CE1 3.48Å; E274-Y284 WeakPolarHBondContact OE2-CE1 3.41Å; T282-Y284 HydrophobicContact CG2-CE1 4.33Å; T282-Y284 HydrophobicContact CG2-CE2 3.98Å; Y284-T292 WeakPolarHBondContact O-CA 3.42Å; Y284-Q293 PolarHBondContact N-O 2.9Å; Y284-Q293 PolarHBondContact O-N 3.07Å; Y284-W294 WeakPolarHBondContact CD2-O 3.48Å; Y284-W294 WeakPolarHBondContact CE2-O 3.34Å; Y284-D295 WeakPolarHBondContact CD2-O 3.45Å; Y284-R296 HydrophobicContact CD1-CG 4.39Å; Y284-R296 HydrophobicContact CD2-CB 4.46Å; Y284-R296 HydrophobicContact CE1-CB 4.09Å; Y284-R296 HydrophobicContact CE1-CG 3.65Å; Y284-R296 VanDerWaalsContact CE2-CA 3.44Å; Y284-R296 HydrophobicContact CE2-CB 3.81Å; Y284-R296 HydrophobicContact CE2-CG 4.32Å; Y284-R296 PolarHBondContact OH-NE 3.4Å; Y284-P297 VanDerWaalsContact CD1-CD 3.49Å; Y284-P297 HydrophobicContact CD1-CG 4.34Å; Y284-P297 VanDerWaalsContact CG-CD 3.48Å; Y284-P297 HydrophobicContact CG-CG 4.49Å
285M69.7Low64.2Low40 Ų4079 Ų7920%0.19739%0.392CS..EExtended strand (participates in β ladder)trans-115112.3-169-118.2178.353.700110.7W272 D273 R275 Y283 H287 T292W272-M285 VanDerWaalsContact CA-O 3.3Å; W272-M285 WeakPolarHBondContact CA-O 3.5Å; D273-M285 HydrophobicContact CB-CB 3.91Å; D273-M285 PolarHBondContact N-O 2.81Å; D273-M285 PolarHBondContact O-N 3.46Å; R275-M285 HydrophobicContact CG-CB 4.21Å; R275-M285 HydrophobicContact CG-CG 4.31Å; R275-M285 HydrophobicContact CG-SD 3.81Å; Y283-M285 HydrophobicContact CE2-CG 4.04Å; Y283-M285 HydrophobicContact CE2-SD 4.26Å; M285-H287 WeakPolarHBondContact CE-CE1 3.3Å; M285-H287 PolarHBondContact O-N 3.02Å; M285-T292 HydrophobicContact CG-CG2 3.74Å
286D67.3Low63.9Low3 Ų380 Ų802%0.01640%0.396CS..EExtended strand (participates in β ladder)trans-87.198.6177.8-173.2-27.7000109.8W272 V288 N289 K290 R291W272-D286 HydrophobicContact CD2-CB 4.14Å; W272-D286 HydrophobicContact CE3-CB 3.89Å; W272-D286 HydrophobicContact CH2-CB 3.78Å; W272-D286 HydrophobicContact CZ2-CB 4Å; W272-D286 WeakPolarHBondContact CZ2-OD2 3.5Å; W272-D286 HydrophobicContact CZ3-CB 3.71Å; D286-V288 PolarHBondContact O-N 3.19Å; D286-V288 WeakPolarHBondContact OD1-CA 3.19Å; D286-V288 WeakPolarHBondContact OD1-CB 3.42Å; D286-V288 PolarHBondContact OD1-N 3.04Å; D286-N289 PolarHBondContact OD1-N 3.44Å; D286-N289 PolarHBondContact OD1-ND2 3.27Å; D286-N289 WeakPolarHBondContact OD2-CB 3.01Å; D286-N289 PolarHBondContact OD2-ND2 3.49Å; D286-K290 WeakPolarHBondContact O-CA 3.43Å; D286-K290 PolarHBondContact O-N 3.19Å; D286-R291 HydrophobicContact CB-CG 3.62Å; D286-R291 PolarHBondContact N-O 3.11Å; D286-R291 PolarHBondContact O-N 3.03Å; D286-R291 IonicContact OD2-CZ 3.07Å; D286-R291 IonicContact OD2-NE 3.2Å; D286-R291 PolarHBondContact OD2-NE 2.9Å; D286-R291 IonicContact OD2-NH2 3.84Å; D286-R291 PolarHBondContact OD2-NH2 3.24Å
287H54.5Low63Low68 Ų6876.3 Ų76.332%0.31537%0.374SS..THydrogen-bonded Turntrans-70.6-16.1178.9-72.3-81.4000113.6G271 D273 M285 K290G271-H287 VanDerWaalsContact O-CB 3.31Å; G271-H287 WeakPolarHBondContact O-CB 3.39Å; G271-H287 PolarHBondContact O-N 3.06Å; D273-H287 IonicContact OD1-CD2 2.68Å; D273-H287 IonicContact OD1-NE2 3.44Å; D273-H287 PolarHBondContact OD1-NE2 2.65Å; D273-H287 IonicContact OD2-CD2 3.54Å; D273-H287 IonicContact OD2-CE1 2.69Å; D273-H287 IonicContact OD2-NE2 1.88Å; D273-H287 PolarHBondContact OD2-NE2 2.89Å; M285-H287 WeakPolarHBondContact CE-CE1 3.3Å; M285-H287 PolarHBondContact O-N 3.02Å; H287-K290 WeakPolarHBondContact O-CE 3.19Å; H287-K290 PolarHBondContact O-NZ 2.97Å
288V51.5Low62.2Low94 Ų9476.9 Ų76.957%0.5738%0.381SS*.THydrogen-bonded Turntrans-81.2-50.3178.9-175.30000109.6D286D286-V288 PolarHBondContact O-N 3.19Å; D286-V288 WeakPolarHBondContact OD1-CA 3.19Å; D286-V288 WeakPolarHBondContact OD1-CB 3.42Å; D286-V288 PolarHBondContact OD1-N 3.04Å
289N50.6Low62Low91 Ų9175.7 Ų75.749%0.48737%0.373SS..THydrogen-bonded Turntrans-100.34.4-174-54.5-69.8000114.1D286 R291D286-N289 PolarHBondContact OD1-N 3.44Å; D286-N289 PolarHBondContact OD1-ND2 3.27Å; D286-N289 WeakPolarHBondContact OD2-CB 3.01Å; D286-N289 PolarHBondContact OD2-ND2 3.49Å; N289-R291 HydrophobicContact CB-CG 4.19Å; N289-R291 PolarHBondContact O-N 3Å
290K61.2Low61.5Low169 Ų16977.9 Ų77.974%0.73538%0.38SS*.THydrogen-bonded Turntrans56.244.8174.9-54.1-51.8-175.1-163.70114.4D286 H287D286-K290 WeakPolarHBondContact O-CA 3.43Å; D286-K290 PolarHBondContact O-N 3.19Å; H287-K290 WeakPolarHBondContact O-CE 3.19Å; H287-K290 PolarHBondContact O-NZ 2.97Å
291R63.5Low61.6Low59 Ų5977.9 Ų77.922%0.22337%0.366CS..EExtended strand (participates in β ladder)trans-134165.3-177.461.3-178.2177.9-175.35.9111.9D286 N289 G313 V315D286-R291 HydrophobicContact CB-CG 3.62Å; D286-R291 PolarHBondContact N-O 3.11Å; D286-R291 PolarHBondContact O-N 3.03Å; D286-R291 IonicContact OD2-CZ 3.07Å; D286-R291 IonicContact OD2-NE 3.2Å; D286-R291 PolarHBondContact OD2-NE 2.9Å; D286-R291 IonicContact OD2-NH2 3.84Å; D286-R291 PolarHBondContact OD2-NH2 3.24Å; N289-R291 HydrophobicContact CB-CG 4.19Å; N289-R291 PolarHBondContact O-N 3Å; R291-G313 PolarHBondContact NH1-O 3.46Å; R291-V315 VanDerWaalsContact NH1-CG2 3.31Å
292T74.4Confident61.8Low94 Ų9472.3 Ų72.358%0.57735%0.351SS*.EExtended strand (participates in β ladder)trans-126.4146.2175.955.50000110.3Y283 Y284 M285Y283-T292 HydrophobicContact CD2-CG2 4.22Å; Y283-T292 HydrophobicContact CE2-CG2 4Å; Y284-T292 WeakPolarHBondContact O-CA 3.42Å; M285-T292 HydrophobicContact CG-CG2 3.74Å
293Q72.4Confident61.5Low42 Ų4277.9 Ų77.920%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-142.6161.6172.572.1-172.536.500110.5W272 Y284 D295W272-Q293 HydrophobicContact CH2-CG 4.32Å; W272-Q293 HydrophobicContact CZ3-CG 3.91Å; Y284-Q293 PolarHBondContact N-O 2.9Å; Y284-Q293 PolarHBondContact O-N 3.07Å; Q293-D295 WeakPolarHBondContact CG-O 3.44Å; Q293-D295 PolarHBondContact NE2-O 2.93Å
294W72.8Confident61.1Low150 Ų15076 Ų7657%0.56837%0.372SS*.SBendtrans-84.5-25.7177.6-61.7101.6000112.9D277 R281 Y284D277-W294 HydrophobicContact CB-CH2 4.49Å; R281-W294 HydrophobicContact CB-CE3 4.5Å; R281-W294 HydrophobicContact CB-CZ3 3.75Å; Y284-W294 WeakPolarHBondContact CD2-O 3.48Å; Y284-W294 WeakPolarHBondContact CE2-O 3.34Å
295D62.7Low61.1Low36 Ų3677.7 Ų77.719%0.19338%0.378CS..SBendtrans-82.5139.9-175.3-58.3-50.8000113.4Y284 Q293 P297 S332Y284-D295 WeakPolarHBondContact CD2-O 3.45Å; Q293-D295 WeakPolarHBondContact CG-O 3.44Å; Q293-D295 PolarHBondContact NE2-O 2.93Å; D295-P297 WeakPolarHBondContact O-CD 3.49Å; D295-S332 WeakPolarHBondContact OD1-CB 3.17Å
296R72.7Confident61.2Low90 Ų9078.7 Ų78.734%0.3438%0.382SS..  trans-65.1123.3177.6-165.6170.1-137.5-156.36.8110.3N266 L268 E274 Y284 S298N266-R296 PolarHBondContact OD1-NH1 3.48Å; L268-R296 HydrophobicContact CD2-CG 4.21Å; E274-R296 IonicContact OE2-CZ 3.37Å; E274-R296 IonicContact OE2-NE 2.72Å; E274-R296 IonicContact OE2-NH2 3.51Å; E274-R296 PolarHBondContact OE2-NH2 2.96Å; Y284-R296 HydrophobicContact CD1-CG 4.39Å; Y284-R296 HydrophobicContact CD2-CB 4.46Å; Y284-R296 HydrophobicContact CE1-CB 4.09Å; Y284-R296 HydrophobicContact CE1-CG 3.65Å; Y284-R296 VanDerWaalsContact CE2-CA 3.44Å; Y284-R296 HydrophobicContact CE2-CB 3.81Å; Y284-R296 HydrophobicContact CE2-CG 4.32Å; Y284-R296 PolarHBondContact OH-NE 3.4Å; R296-S298 PolarHBondContact O-N 2.95Å
297P51.5Low61.6Low12 Ų1283.4 Ų83.48%0.07840%0.404CS..  trans-71.4100.1179.630.1-36.6000109.9L268 P269 W272 Y284 D295L268-P297 HydrophobicContact CD2-CG 3.97Å; P269-P297 WeakPolarHBondContact CD-O 3.17Å; P269-P297 HydrophobicContact CG-CB 4.22Å; P269-P297 VanDerWaalsContact CG-O 3.27Å; P269-P297 WeakPolarHBondContact CG-O 3.22Å; W272-P297 HydrophobicContact CB-CG 3.88Å; W272-P297 HydrophobicContact CD2-CB 3.56Å; W272-P297 HydrophobicContact CD2-CG 3.51Å; W272-P297 HydrophobicContact CE3-CB 3.81Å; W272-P297 HydrophobicContact CE3-CG 3.59Å; W272-P297 HydrophobicContact CG-CB 3.99Å; W272-P297 HydrophobicContact CG-CG 3.68Å; W272-P297 HydrophobicContact CH2-CB 4.16Å; W272-P297 HydrophobicContact CZ2-CB 3.96Å; W272-P297 HydrophobicContact CZ3-CB 4.1Å; W272-P297 HydrophobicContact CZ3-CG 4.24Å; Y284-P297 VanDerWaalsContact CD1-CD 3.49Å; Y284-P297 HydrophobicContact CD1-CG 4.34Å; Y284-P297 VanDerWaalsContact CG-CD 3.48Å; Y284-P297 HydrophobicContact CG-CG 4.49Å; D295-P297 WeakPolarHBondContact O-CD 3.49Å
298S50.1Low62.2Low47 Ų4785.3 Ų85.333%0.32941%0.408SS..  trans-88142.2178.251.70000112.4R296 Q300 H329R296-S298 PolarHBondContact O-N 2.95Å; S298-Q300 PolarHBondContact O-N 3.17Å; S298-H329 PolarHBondContact OG-CE1 3.02Å; S298-H329 PolarHBondContact OG-NE2 3.08Å
299F46.2Very low62.4Low132 Ų13284.7 Ų84.758%0.57941%0.405SS*.SBendtrans-65.7-12176.3-101.2-72.2000115.1P269 P270P269-F299 HydrophobicContact CB-CD2 4.23Å; P269-F299 HydrophobicContact CB-CE1 4.36Å; P269-F299 HydrophobicContact CB-CE2 3.91Å; P269-F299 HydrophobicContact CB-CZ 4Å; P269-F299 HydrophobicContact CG-CD2 3.98Å; P269-F299 HydrophobicContact CG-CE2 4.15Å; P269-F299 HydrophobicContact CG-CG 4.34Å; P270-F299 VanDerWaalsContact CD-CZ 3.48Å; P270-F299 HydrophobicContact CG-CZ 4.49Å
300Q45.5Very low62.7Low153 Ų15381.8 Ų81.872%0.71539%0.389SS*.  trans-130.6127.9-171.5-62.7-175.68.900111.5S298S298-Q300 PolarHBondContact O-N 3.17Å
301L57Low61.8Low58 Ų5876.9 Ų76.930%0.30438%0.38SS..PPolyproline II helixtrans-86.6145.4165.1-65.9163.3000108.6W305 Q307 Y317 H329 P330L301-W305 HydrophobicContact CB-CB 3.96Å; L301-W305 WeakPolarHBondContact CD1-O 3.35Å; L301-W305 HydrophobicContact CD2-CB 4.44Å; L301-Q307 HydrophobicContact CD1-CB 3.92Å; L301-Y317 HydrophobicContact CD2-CD1 3.6Å; L301-Y317 HydrophobicContact CD2-CE1 3.86Å; L301-H329 WeakPolarHBondContact CD2-NE2 3.45Å; L301-P330 HydrophobicContact CD2-CG 4.05Å
302P57.1Low60.8Low46 Ų4678.7 Ų78.730%0.29939%0.394SS..PPolyproline II helixtrans-58.3154.6171-23.635.2000111.8G304 W305 P330 L331P302-G304 PolarHBondContact O-N 3.13Å; P302-W305 WeakPolarHBondContact O-CB 3.23Å; P302-W305 PolarHBondContact O-N 2.82Å; P302-P330 VanDerWaalsContact CD-CG 3.43Å; P302-P330 HydrophobicContact CG-CB 4.01Å; P302-P330 HydrophobicContact CG-CG 4.07Å; P302-L331 HydrophobicContact CG-CD2 3.9Å; P302-L331 HydrophobicContact CG-CG 4.19Å
303H57.9Low59.2Low172 Ų17275.9 Ų75.980%0.79638%0.384SS*.THydrogen-bonded Turntrans-57127.8178.5-173.369.5000110.6Q321H303-Q321 PolarHBondContact CD2-NE2 3.48Å; H303-Q321 PolarHBondContact O-NE2 3.01Å
304G66Low58Low20 Ų2081.3 Ų81.321%0.20640%0.402CS..THydrogen-bonded Turntrans96.4-1.8-174.100000115.7P302 H320P302-G304 PolarHBondContact O-N 3.13Å; G304-H320 WeakPolarHBondContact O-CB 3.29Å; G304-H320 PolarHBondContact O-CD2 3.3Å; G304-H320 VanDerWaalsContact O-CD2 3.26Å; G304-H320 PolarHBondContact O-N 3.15Å
305W78.8Confident57.2Low56 Ų5675 Ų7521%0.21238%0.381CS..EExtended strand (participates in β ladder)trans-106.6133.6-179.4-7373.3000113.5L301 P302 V318 D319 T326 P330L301-W305 HydrophobicContact CB-CB 3.96Å; L301-W305 WeakPolarHBondContact CD1-O 3.35Å; L301-W305 HydrophobicContact CD2-CB 4.44Å; P302-W305 WeakPolarHBondContact O-CB 3.23Å; P302-W305 PolarHBondContact O-N 2.82Å; W305-V318 CarbonylContact C-O 3.58Å; W305-V318 VanDerWaalsContact CA-O 3.28Å; W305-V318 WeakPolarHBondContact CA-O 3.16Å; W305-D319 HydrophobicContact CD2-CB 4.02Å; W305-D319 HydrophobicContact CE3-CB 4.21Å; W305-D319 HydrophobicContact CH2-CB 3.93Å; W305-D319 HydrophobicContact CZ2-CB 3.68Å; W305-D319 VanDerWaalsContact CZ2-OD2 3.25Å; W305-D319 WeakPolarHBondContact CZ2-OD2 3.47Å; W305-D319 HydrophobicContact CZ3-CB 4.18Å; W305-D319 PolarHBondContact NE1-OD2 2.9Å; W305-T326 HydrophobicContact CH2-CG2 3.74Å; W305-T326 HydrophobicContact CZ3-CG2 3.53Å; W305-P330 HydrophobicContact CB-CG 4.46Å; W305-P330 HydrophobicContact CD2-CB 3.72Å; W305-P330 HydrophobicContact CD2-CG 3.77Å; W305-P330 HydrophobicContact CE3-CB 3.8Å; W305-P330 HydrophobicContact CE3-CG 3.68Å; W305-P330 HydrophobicContact CG-CB 4.36Å; W305-P330 HydrophobicContact CG-CG 4.14Å; W305-P330 HydrophobicContact CH2-CB 3.93Å; W305-P330 HydrophobicContact CZ2-CB 3.89Å; W305-P330 HydrophobicContact CZ3-CB 3.89Å; W305-P330 HydrophobicContact CZ3-CG 4.14Å
306E72.5Confident57.4Low61 Ų6176 Ų7629%0.28538%0.382SS..EExtended strand (participates in β ladder)trans-114.6134.1174.9176.4-168.9179.200110.4R308 Y317 V318 H320E306-R308 HydrophobicContact CG-CG 4.07Å; E306-R308 WeakPolarHBondContact OE1-CG 3.32Å; E306-R308 IonicContact OE1-CZ 3.38Å; E306-R308 IonicContact OE1-NE 2.72Å; E306-R308 PolarHBondContact OE1-NE 2.91Å; E306-R308 IonicContact OE1-NH2 2.68Å; E306-R308 PolarHBondContact OE1-NH2 2.73Å; E306-R308 IonicContact OE2-CZ 3.24Å; E306-R308 VanDerWaalsContact OE2-CZ 3.24Å; E306-R308 IonicContact OE2-NE 3.5Å; E306-R308 PolarHBondContact OE2-NE 2.67Å; E306-R308 IonicContact OE2-NH2 2.93Å; E306-R308 PolarHBondContact OE2-NH2 3.39Å; E306-Y317 WeakPolarHBondContact O-CA 3.25Å; E306-V318 HydrophobicContact CB-CB 4.35Å; E306-V318 PolarHBondContact N-O 2.8Å; E306-V318 PolarHBondContact O-N 2.77Å; E306-H320 WeakPolarHBondContact CB-NE2 3.16Å; E306-H320 IonicContact OE2-CE1 2.75Å; E306-H320 PolarHBondContact OE2-CE1 2.78Å; E306-H320 IonicContact OE2-NE2 3.8Å; E306-H320 PolarHBondContact OE2-NE2 3.04Å
307Q74.7Confident57.6Low101 Ų10172.3 Ų72.347%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-86.9125.1167.4-175.1-173.6-87.600109.7L301 V315 Y317L301-Q307 HydrophobicContact CD1-CB 3.92Å; Q307-V315 HydrophobicContact CG-CG1 3.48Å; Q307-V315 VanDerWaalsContact CG-CG1 3.48Å; Q307-V315 HydrophobicContact CG-CG2 4.31Å; Q307-Y317 HydrophobicContact CB-CD1 4.02Å; Q307-Y317 HydrophobicContact CB-CE1 3.92Å; Q307-Y317 HydrophobicContact CG-CD1 4.06Å; Q307-Y317 HydrophobicContact CG-CE1 3.62Å
308R66.4Low58.7Low109 Ų10972.7 Ų72.741%0.41137%0.371SS..EExtended strand (participates in β ladder)trans-117.8166.3170.9-70.5-164.1175.8174.39.4111.5E306 V315 Y316 V318E306-R308 HydrophobicContact CG-CG 4.07Å; E306-R308 WeakPolarHBondContact OE1-CG 3.32Å; E306-R308 IonicContact OE1-CZ 3.38Å; E306-R308 IonicContact OE1-NE 2.72Å; E306-R308 PolarHBondContact OE1-NE 2.91Å; E306-R308 IonicContact OE1-NH2 2.68Å; E306-R308 PolarHBondContact OE1-NH2 2.73Å; E306-R308 IonicContact OE2-CZ 3.24Å; E306-R308 VanDerWaalsContact OE2-CZ 3.24Å; E306-R308 IonicContact OE2-NE 3.5Å; E306-R308 PolarHBondContact OE2-NE 2.67Å; E306-R308 IonicContact OE2-NH2 2.93Å; E306-R308 PolarHBondContact OE2-NH2 3.39Å; R308-V315 WeakPolarHBondContact O-CA 3.28Å; R308-Y316 HydrophobicContact CB-CD1 4.07Å; R308-Y316 HydrophobicContact CB-CD2 4.32Å; R308-Y316 HydrophobicContact CB-CE1 3.53Å; R308-Y316 HydrophobicContact CB-CE2 3.81Å; R308-Y316 HydrophobicContact CB-CG 4.44Å; R308-Y316 WeakPolarHBondContact CD-OH 3.45Å; R308-Y316 HydrophobicContact CG-CE2 4.49Å; R308-Y316 PolarHBondContact N-O 3.42Å; R308-Y316 PolarHBondContact O-N 2.97Å; R308-Y316 VanDerWaalsContact O-O 3.04Å; R308-V318 HydrophobicContact CB-CG2 4.49Å; R308-V318 HydrophobicContact CG-CG2 4.06Å
309T55.6Low59.9Low81 Ų8170.9 Ų70.950%0.49736%0.357SS..EExtended strand (participates in β ladder)trans-122.7133.9174.9-36.60000108.3R314 V315T309-R314 CarbonylContact C-O 3.55Å; T309-R314 WeakPolarHBondContact CA-O 3.45Å; T309-V315 HydrophobicContact CG2-CG2 4.3Å
310D57.9Low60.8Low30 Ų3069 Ų6916%0.1635%0.35CS..  trans-74168.2165.894.9-34000110N312 G313 R314 Y316 R487D310-N312 VanDerWaalsContact CG-N 3.3Å; D310-N312 PolarHBondContact O-N 3.2Å; D310-N312 VanDerWaalsContact O-N 3.09Å; D310-N312 VanDerWaalsContact OD1-CA 3.3Å; D310-N312 WeakPolarHBondContact OD1-CA 3.31Å; D310-N312 VanDerWaalsContact OD1-CB 3.24Å; D310-N312 WeakPolarHBondContact OD1-CB 3.43Å; D310-N312 PolarHBondContact OD1-N 2.96Å; D310-N312 WeakPolarHBondContact OD2-CB 3.41Å; D310-N312 PolarHBondContact OD2-N 3.13Å; D310-N312 PolarHBondContact OD2-ND2 2.74Å; D310-G313 PolarHBondContact O-N 3.3Å; D310-G313 PolarHBondContact OD1-N 3.34Å; D310-R314 PolarHBondContact N-O 3.2Å; D310-R314 WeakPolarHBondContact OD1-CA 3.29Å; D310-R314 VanDerWaalsContact OD1-CB 3.28Å; D310-R314 WeakPolarHBondContact OD1-CB 3.4Å; D310-R314 PolarHBondContact OD1-N 3.25Å; D310-Y316 HydrophobicContact CB-CE1 4.48Å; D310-R487 IonicContact OD2-NH2 3.11Å; D310-R487 PolarHBondContact OD2-NH2 2.71Å
311A42.7Very low61.8Low66 Ų6667.2 Ų67.255%0.54534%0.341SS..THydrogen-bonded Turntrans-75.110.4178.100000114.3T483 R487A311-T483 HydrophobicContact CB-CG2 4.46Å; A311-R487 PolarHBondContact O-NH1 2.86Å; A311-R487 VanDerWaalsContact O-NH1 3.15Å
312N42.7Very low62.3Low96 Ų9669.4 Ų69.451%0.51335%0.353SS..THydrogen-bonded Turntrans-95.8-5.1163.5-63.3-51.7000112.3D310 R314 R487D310-N312 VanDerWaalsContact CG-N 3.3Å; D310-N312 PolarHBondContact O-N 3.2Å; D310-N312 VanDerWaalsContact O-N 3.09Å; D310-N312 VanDerWaalsContact OD1-CA 3.3Å; D310-N312 WeakPolarHBondContact OD1-CA 3.31Å; D310-N312 VanDerWaalsContact OD1-CB 3.24Å; D310-N312 WeakPolarHBondContact OD1-CB 3.43Å; D310-N312 PolarHBondContact OD1-N 2.96Å; D310-N312 WeakPolarHBondContact OD2-CB 3.41Å; D310-N312 PolarHBondContact OD2-N 3.13Å; D310-N312 PolarHBondContact OD2-ND2 2.74Å; N312-R314 VanDerWaalsContact C-N 3.32Å; N312-R314 HydrophobicContact CB-CG 4.03Å; N312-R487 PolarHBondContact ND2-NH1 3.13Å; N312-R487 PolarHBondContact ND2-NH2 3.1Å; N312-R487 PolarHBondContact OD1-NH1 3.17Å
313G41Very low62.8Low35 Ų3575.2 Ų75.236%0.36138%0.376SS..SBendtrans82.36.4-169.100000114.2R291 D310R291-G313 PolarHBondContact NH1-O 3.46Å; D310-G313 PolarHBondContact O-N 3.3Å; D310-G313 PolarHBondContact OD1-N 3.34Å
314R45.3Very low63.2Low156 Ų15674.2 Ų74.259%0.58937%0.365SS*.  trans-76.4129172.9-58173.8-177.5-169.81.1108.2T309 D310 N312 W327T309-R314 CarbonylContact C-O 3.55Å; T309-R314 WeakPolarHBondContact CA-O 3.45Å; D310-R314 PolarHBondContact N-O 3.2Å; D310-R314 WeakPolarHBondContact OD1-CA 3.29Å; D310-R314 VanDerWaalsContact OD1-CB 3.28Å; D310-R314 WeakPolarHBondContact OD1-CB 3.4Å; D310-R314 PolarHBondContact OD1-N 3.25Å; N312-R314 VanDerWaalsContact C-N 3.32Å; N312-R314 HydrophobicContact CB-CG 4.03Å; R314-W327 HydrophobicContact CB-CZ3 3.85Å
315V56.8Low63.4Low19 Ų1978 Ų7812%0.11539%0.385CS..EExtended strand (participates in β ladder)trans-84.5142.1175.5156.40000109.8R291 Q307 R308 T309 Y317R291-V315 VanDerWaalsContact NH1-CG2 3.31Å; Q307-V315 HydrophobicContact CG-CG1 3.48Å; Q307-V315 VanDerWaalsContact CG-CG1 3.48Å; Q307-V315 HydrophobicContact CG-CG2 4.31Å; R308-V315 WeakPolarHBondContact O-CA 3.28Å; T309-V315 HydrophobicContact CG2-CG2 4.3Å; V315-Y317 HydrophobicContact CG1-CE1 3.92Å; V315-Y317 HydrophobicContact CG1-CE2 3.85Å; V315-Y317 VanDerWaalsContact CG1-CZ 3.46Å; V315-Y317 WeakPolarHBondContact CG1-OH 3.23Å
316Y68.1Low62.5Low56 Ų5677.3 Ų77.322%0.2239%0.387CS..EExtended strand (participates in β ladder)trans-138.3160.2169.869.7-82.9000109.7R308 D310 V318 T325R308-Y316 HydrophobicContact CB-CD1 4.07Å; R308-Y316 HydrophobicContact CB-CD2 4.32Å; R308-Y316 HydrophobicContact CB-CE1 3.53Å; R308-Y316 HydrophobicContact CB-CE2 3.81Å; R308-Y316 HydrophobicContact CB-CG 4.44Å; R308-Y316 WeakPolarHBondContact CD-OH 3.45Å; R308-Y316 HydrophobicContact CG-CE2 4.49Å; R308-Y316 PolarHBondContact N-O 3.42Å; R308-Y316 PolarHBondContact O-N 2.97Å; R308-Y316 VanDerWaalsContact O-O 3.04Å; D310-Y316 HydrophobicContact CB-CE1 4.48Å; Y316-V318 HydrophobicContact CD2-CG2 4.04Å; Y316-V318 HydrophobicContact CE2-CG2 3.64Å; Y316-T325 HydrophobicContact CD2-CG2 4.38Å; Y316-T325 HydrophobicContact CE2-CG2 4.34Å
317Y75.8Confident62.4Low13 Ų1381.8 Ų81.85%0.05140%0.401CS..EExtended strand (participates in β ladder)trans-116.8135.5-174.2-56.4-80.6000110L301 E306 Q307 V315 T325 T326 Y328 H329L301-Y317 HydrophobicContact CD2-CD1 3.6Å; L301-Y317 HydrophobicContact CD2-CE1 3.86Å; E306-Y317 WeakPolarHBondContact O-CA 3.25Å; Q307-Y317 HydrophobicContact CB-CD1 4.02Å; Q307-Y317 HydrophobicContact CB-CE1 3.92Å; Q307-Y317 HydrophobicContact CG-CD1 4.06Å; Q307-Y317 HydrophobicContact CG-CE1 3.62Å; V315-Y317 HydrophobicContact CG1-CE1 3.92Å; V315-Y317 HydrophobicContact CG1-CE2 3.85Å; V315-Y317 VanDerWaalsContact CG1-CZ 3.46Å; V315-Y317 WeakPolarHBondContact CG1-OH 3.23Å; Y317-T325 CarbonylContact O-C 3.52Å; Y317-T325 VanDerWaalsContact O-CA 3.26Å; Y317-T325 WeakPolarHBondContact O-CA 3.19Å; Y317-T326 PolarHBondContact N-O 3.18Å; Y317-T326 PolarHBondContact O-N 3.43Å; Y317-Y328 VanDerWaalsContact CD2-O 3.3Å; Y317-Y328 WeakPolarHBondContact CD2-O 3.24Å; Y317-H329 AromaticContact CE1-CD2 3.54Å; Y317-H329 HydrophobicContact CE2-CB 3.97Å; Y317-H329 AromaticContact CZ-CD2 3.58Å
318V73.8Confident61.8Low20 Ų2083.6 Ų83.612%0.12141%0.405CS..EExtended strand (participates in β ladder)trans-112124.3-177.9-174.20000108.7W305 E306 R308 Y316 T325W305-V318 CarbonylContact C-O 3.58Å; W305-V318 VanDerWaalsContact CA-O 3.28Å; W305-V318 WeakPolarHBondContact CA-O 3.16Å; E306-V318 HydrophobicContact CB-CB 4.35Å; E306-V318 PolarHBondContact N-O 2.8Å; E306-V318 PolarHBondContact O-N 2.77Å; R308-V318 HydrophobicContact CB-CG2 4.49Å; R308-V318 HydrophobicContact CG-CG2 4.06Å; Y316-V318 HydrophobicContact CD2-CG2 4.04Å; Y316-V318 HydrophobicContact CE2-CG2 3.64Å; V318-T325 HydrophobicContact CG1-CG2 4.42Å; V318-T325 HydrophobicContact CG2-CG2 4.17Å
319D76.2Confident61.6Low8 Ų878.8 Ų78.84%0.04339%0.387CS..EExtended strand (participates in β ladder)trans-94.9109.6171.7-173.8-27.2000109.1W305 Q321 N322 H323 R324W305-D319 HydrophobicContact CD2-CB 4.02Å; W305-D319 HydrophobicContact CE3-CB 4.21Å; W305-D319 HydrophobicContact CH2-CB 3.93Å; W305-D319 HydrophobicContact CZ2-CB 3.68Å; W305-D319 VanDerWaalsContact CZ2-OD2 3.25Å; W305-D319 WeakPolarHBondContact CZ2-OD2 3.47Å; W305-D319 HydrophobicContact CZ3-CB 4.18Å; W305-D319 PolarHBondContact NE1-OD2 2.9Å; D319-Q321 WeakPolarHBondContact OD1-CA 3.5Å; D319-Q321 WeakPolarHBondContact OD1-CB 3.44Å; D319-Q321 PolarHBondContact OD1-N 3.09Å; D319-N322 PolarHBondContact OD1-N 2.77Å; D319-N322 WeakPolarHBondContact OD2-CB 3.16Å; D319-N322 PolarHBondContact OD2-ND2 2.72Å; D319-H323 VanDerWaalsContact O-CA 3.22Å; D319-H323 WeakPolarHBondContact O-CA 3.15Å; D319-H323 PolarHBondContact O-N 3.17Å; D319-R324 HydrophobicContact CB-CB 4.35Å; D319-R324 PolarHBondContact N-O 2.98Å; D319-R324 PolarHBondContact O-N 3.3Å
320H64.5Low61.7Low93 Ų9375.7 Ų75.743%0.43137%0.368SS..THydrogen-bonded Turntrans-78.7-16.8178.2-61.4-69.8000113.8G304 E306 H323G304-H320 WeakPolarHBondContact O-CB 3.29Å; G304-H320 PolarHBondContact O-CD2 3.3Å; G304-H320 VanDerWaalsContact O-CD2 3.26Å; G304-H320 PolarHBondContact O-N 3.15Å; E306-H320 WeakPolarHBondContact CB-NE2 3.16Å; E306-H320 IonicContact OE2-CE1 2.75Å; E306-H320 PolarHBondContact OE2-CE1 2.78Å; E306-H320 IonicContact OE2-NE2 3.8Å; E306-H320 PolarHBondContact OE2-NE2 3.04Å; H320-H323 PolarHBondContact O-CE1 3.21Å; H320-H323 PolarHBondContact O-ND1 3.3Å
321Q66.7Low61.4Low115 Ų11579.3 Ų79.354%0.53739%0.387SS..THydrogen-bonded Turntrans-86.5-39.5179-67.4176.910.200111.4H303 D319H303-Q321 PolarHBondContact CD2-NE2 3.48Å; H303-Q321 PolarHBondContact O-NE2 3.01Å; D319-Q321 WeakPolarHBondContact OD1-CA 3.5Å; D319-Q321 WeakPolarHBondContact OD1-CB 3.44Å; D319-Q321 PolarHBondContact OD1-N 3.09Å
322N67.2Low61.6Low104 Ų10476.5 Ų76.556%0.55636%0.363SS*.THydrogen-bonded Turntrans-102.41.2179.8-60.2-72.1000113.8D319 R324D319-N322 PolarHBondContact OD1-N 2.77Å; D319-N322 WeakPolarHBondContact OD2-CB 3.16Å; D319-N322 PolarHBondContact OD2-ND2 2.72Å; N322-R324 PolarHBondContact O-N 3.25Å
323H67.7Low61.5Low168 Ų16880.7 Ų80.778%0.77838%0.38SS*.THydrogen-bonded Turntrans52.548.1-178.2-58.2-40.6000113.7D319 H320D319-H323 VanDerWaalsContact O-CA 3.22Å; D319-H323 WeakPolarHBondContact O-CA 3.15Å; D319-H323 PolarHBondContact O-N 3.17Å; H320-H323 PolarHBondContact O-CE1 3.21Å; H320-H323 PolarHBondContact O-ND1 3.3Å
324R65.9Low61.4Low151 Ų15181 Ų8157%0.5738%0.383SS*.EExtended strand (participates in β ladder)trans-123.5161.2-177-75.7175.5179.5-148.8-3.9112.1D319 N322D319-R324 HydrophobicContact CB-CB 4.35Å; D319-R324 PolarHBondContact N-O 2.98Å; D319-R324 PolarHBondContact O-N 3.3Å; N322-R324 PolarHBondContact O-N 3.25Å
325T71.1Confident60.9Low100 Ų10076 Ų7661%0.61337%0.372SS*.EExtended strand (participates in β ladder)trans-126.4150.5167.856.80000110.2Y316 Y317 V318Y316-T325 HydrophobicContact CD2-CG2 4.38Å; Y316-T325 HydrophobicContact CE2-CG2 4.34Å; Y317-T325 CarbonylContact O-C 3.52Å; Y317-T325 VanDerWaalsContact O-CA 3.26Å; Y317-T325 WeakPolarHBondContact O-CA 3.19Å; V318-T325 HydrophobicContact CG1-CG2 4.42Å; V318-T325 HydrophobicContact CG2-CG2 4.17Å
326T60.9Low59.8Low41 Ų4185.9 Ų85.925%0.25241%0.407SS..EExtended strand (participates in β ladder)trans-150.2150.6175.2172.30000110.7W305 Y317 Y328W305-T326 HydrophobicContact CH2-CG2 3.74Å; W305-T326 HydrophobicContact CZ3-CG2 3.53Å; Y317-T326 PolarHBondContact N-O 3.18Å; Y317-T326 PolarHBondContact O-N 3.43Å; T326-Y328 VanDerWaalsContact C-N 3.34Å; T326-Y328 WeakPolarHBondContact CG2-O 3.37Å; T326-Y328 PolarHBondContact OG1-N 3.44Å; T326-Y328 VanDerWaalsContact OG1-N 3.09Å
327W69.3Low58Low156 Ų15687.8 Ų87.859%0.59143%0.429SS*.SBendtrans-80.5-18.4173.3-62.2103.2000112.6R314R314-W327 HydrophobicContact CB-CZ3 3.85Å
328Y63.2Low55.8Low138 Ų13895.2 Ų95.254%0.54146%0.464SS..SBendtrans-90.3139.5-179.5-55.5-77.8000110.7Y317 T326Y317-Y328 VanDerWaalsContact CD2-O 3.3Å; Y317-Y328 WeakPolarHBondContact CD2-O 3.24Å; T326-Y328 VanDerWaalsContact C-N 3.34Å; T326-Y328 WeakPolarHBondContact CG2-O 3.37Å; T326-Y328 PolarHBondContact OG1-N 3.44Å; T326-Y328 VanDerWaalsContact OG1-N 3.09Å
329H62.1Low53.5Low8 Ų8100 Ų1004%0.03749%0.493CS..  trans-60.6137.6175-172.7-90.7000109.6S298 L301 Y317 L331 S332S298-H329 PolarHBondContact OG-CE1 3.02Å; S298-H329 PolarHBondContact OG-NE2 3.08Å; L301-H329 WeakPolarHBondContact CD2-NE2 3.45Å; Y317-H329 AromaticContact CE1-CD2 3.54Å; Y317-H329 HydrophobicContact CE2-CB 3.97Å; Y317-H329 AromaticContact CZ-CD2 3.58Å; H329-L331 PolarHBondContact ND1-N 3.44Å; H329-L331 VanDerWaalsContact ND1-N 3.14Å; H329-L331 PolarHBondContact O-N 3.38Å; H329-L331 VanDerWaalsContact O-N 3.07Å; H329-S332 WeakPolarHBondContact O-CB 3.27Å; H329-S332 PolarHBondContact O-N 3.03Å; H329-S332 PolarHBondContact O-OG 3.14Å
330P56.2Low51.1Low16 Ų16104.4 Ų104.410%0.10453%0.525CS..THydrogen-bonded Turntrans-58.3-26.7-176.919.3-33.3000114.5L301 P302 W305 S335L301-P330 HydrophobicContact CD2-CG 4.05Å; P302-P330 VanDerWaalsContact CD-CG 3.43Å; P302-P330 HydrophobicContact CG-CB 4.01Å; P302-P330 HydrophobicContact CG-CG 4.07Å; W305-P330 HydrophobicContact CB-CG 4.46Å; W305-P330 HydrophobicContact CD2-CB 3.72Å; W305-P330 HydrophobicContact CD2-CG 3.77Å; W305-P330 HydrophobicContact CE3-CB 3.8Å; W305-P330 HydrophobicContact CE3-CG 3.68Å; W305-P330 HydrophobicContact CG-CB 4.36Å; W305-P330 HydrophobicContact CG-CG 4.14Å; W305-P330 HydrophobicContact CH2-CB 3.93Å; W305-P330 HydrophobicContact CZ2-CB 3.89Å; W305-P330 HydrophobicContact CZ3-CB 3.89Å; W305-P330 HydrophobicContact CZ3-CG 4.14Å; P330-S335 PolarHBondContact O-OG 3.4Å
331L51.9Low49.3Very low107 Ų107105.3 Ų105.356%0.5654%0.539SS*.THydrogen-bonded Turntrans-91.28173.9-56177.8000114.7P302 H329P302-L331 HydrophobicContact CG-CD2 3.9Å; P302-L331 HydrophobicContact CG-CG 4.19Å; H329-L331 PolarHBondContact ND1-N 3.44Å; H329-L331 VanDerWaalsContact ND1-N 3.14Å; H329-L331 PolarHBondContact O-N 3.38Å; H329-L331 VanDerWaalsContact O-N 3.07Å
332S47.9Very low47.5Very low7 Ų7108.6 Ų108.65%0.04956%0.555CS.*SBendtrans-66.1150.1173.357.60000111.8D295 H329 G334 S335D295-S332 WeakPolarHBondContact OD1-CB 3.17Å; H329-S332 WeakPolarHBondContact O-CB 3.27Å; H329-S332 PolarHBondContact O-N 3.03Å; H329-S332 PolarHBondContact O-OG 3.14Å; S332-G334 PolarHBondContact O-N 3.29Å; S332-S335 PolarHBondContact O-N 3.46Å; S332-S335 VanDerWaalsContact O-N 3.11Å; S332-S335 PolarHBondContact O-OG 3.24Å; S332-S335 VanDerWaalsContact O-OG 3.05Å; S332-S335 PolarHBondContact OG-N 3.45Å
333E39.7Very low45.6Very low183 Ų183112.6 Ų112.686%0.85557%0.57SS**G310 helixtrans-65.7-23172.8-61.6-163.6129.500111.8S335E333-S335 VanDerWaalsContact C-N 3.28Å; E333-S335 PolarHBondContact O-N 3.24Å
334G38.7Very low43.8Very low42 Ų42110.4 Ų110.443%0.43357%0.574SS.*G310 helixtrans-68.6-14.217200000115.6S332S332-G334 PolarHBondContact O-N 3.29Å
335S35.9Very low41.9Very low52 Ų52109.3 Ų109.336%0.36458%0.584SS.*G310 helixtrans-81.2-16.9179.178.50000113.8P330 S332 E333 S337P330-S335 PolarHBondContact O-OG 3.4Å; S332-S335 PolarHBondContact O-N 3.46Å; S332-S335 VanDerWaalsContact O-N 3.11Å; S332-S335 PolarHBondContact O-OG 3.24Å; S332-S335 VanDerWaalsContact O-OG 3.05Å; S332-S335 PolarHBondContact OG-N 3.45Å; E333-S335 VanDerWaalsContact C-N 3.28Å; E333-S335 PolarHBondContact O-N 3.24Å; S335-S337 VanDerWaalsContact C-N 3.31Å; S335-S337 PolarHBondContact O-N 2.99Å
336R33Very low39.9Very low225 Ų225111 Ų11185%0.84959%0.594SS**G310 helixtrans-80.91.6-172.9-86.1-177167169.6-2115.9
337S30.7Very low38.5Very low97 Ų97112.8 Ų112.868%0.67861%0.612SS**G310 helixtrans-116.620.5-176.152.10000114.8S335S335-S337 VanDerWaalsContact C-N 3.31Å; S335-S337 PolarHBondContact O-N 2.99Å
338Q29.1Very low36.7Very low168 Ų168111 Ų11179%0.78562%0.623SS**  trans-13363.8173.6-66.2-165.56.200113.7
339T26.1Very low35.1Very low120 Ų120110.1 Ų110.174%0.73664%0.635SS**  trans-102.4138.6173.550.20000113.1
340S25.8Very low33.7Very low102 Ų102116.5 Ų116.571%0.71367%0.674SS**  trans71.8102160.8-54.80000118.6
341P26.1Very low32.5Very low112 Ų112120.9 Ų120.973%0.72770%0.701SS**  trans-78.1138.1159.333.4-31.4000110.5
342Q28.9Very low31.5Very low184 Ų184125 Ų12586%0.8672%0.715SS**  trans-132.2128.1167-71.4-165.8-11.800111.2
343H27.6Very low30.9Very low187 Ų187130.6 Ų130.687%0.86674%0.744SS**  trans-70.2127.6172.1-89-119000110.7
344S29.1Very low30.6Very low123 Ų123128.7 Ų128.786%0.8674%0.74SS**  trans-150.4121.9145.1-70.80000109.3
345T26.6Very low30.2Very low128 Ų128130.8 Ų130.879%0.78575%0.753SS**  trans-80.8152.4172.142.60000111.5
346V28.4Very low30.1Very low135 Ų135135.8 Ų135.882%0.81877%0.774SS**  157.9134.9122.7160.20000112.9
347A31.9Very low30Very low78 Ų78133.5 Ų133.565%0.64577%0.773SS**  trans57.9106.9156.400000122.6
348S31.2Very low30.4Very low118 Ų118133.7 Ų133.783%0.82577%0.771SS**  74.2145119-54.40000121.9
349P30.9Very low30.5Very low120 Ų120130.7 Ų130.778%0.77977%0.769SS**  trans-99.7161.4-175.339.7-35.8000114.3
350V32.3Very low30.8Very low143 Ų143130 Ų13087%0.86777%0.769SS**  trans-140.3125.9159.8-171.10000109.2
351T31.6Very low31.3Very low107 Ų107133.7 Ų133.766%0.65678%0.775SS**  trans-82.5160173.9-380000110.7
352F31Very low31.7Very low195 Ų195137.5 Ų137.586%0.85578%0.783SS**  trans-157.3147.4131.3-112.6-72.7000111.9
353N34.5Very low32Very low124 Ų124131.9 Ų131.966%0.66378%0.775SS**  trans-95-160.9176.5-62.3-8.8000108.9
354D32.7Very low32.3Very low143 Ų143131.4 Ų131.477%0.76577%0.773SS**  cis-152.3-175.727.5-85.2-63.3000112.9
355A30.7Very low32.6Very low86 Ų86132.7 Ų132.771%0.71177%0.769SS**  trans-137.1-157.1-172.500000112.4
356I33.6Very low33Very low156 Ų156130.3 Ų130.380%0.877%0.77SS**  trans85128.2174.5-51.6164.8000112.3
357E31.8Very low33.2Very low178 Ų178132 Ų13283%0.83277%0.771SS**  cis77.9165.546.3-83.7-160.8162.200115
358P39.3Very low33.4Very low100 Ų100134.9 Ų134.965%0.64978%0.78SS**  -132.7-165.6-58.639.8-22.7000112.8
359S30.9Very low33.4Very low105 Ų105136.1 Ų136.173%0.73478%0.777SS**  trans128.1135.6138.9720000122.2
360S31.2Very low33.6Very low105 Ų105134.1 Ų134.173%0.73478%0.779SS**  trans71.5157.1142.945.70000125.6
361E36.8Very low33.6Very low180 Ų180136.8 Ų136.884%0.84178%0.782SS**  trans74.6140.9170.1-56-176-178.300118.7
362E34.8Very low33.7Very low193 Ų193135.6 Ų135.690%0.90279%0.791SS**  cis-161.5170.2-24.5-117.2-158.2174.600111.2
363G34.6Very low33.9Very low66 Ų66133.8 Ų133.868%0.6879%0.79SS**  trans116.7110169.600000115.9
364E35.3Very low33.9Very low176 Ų176135.2 Ų135.282%0.82279%0.793SS**  69.4130.182-78-146.4122.400114.7
365L35Very low34Very low151 Ų151134.1 Ų134.179%0.79179%0.791SS**  cis-155.7159.48.8-94.1145.1000110
366G33.9Very low34Very low77 Ų77138.4 Ų138.479%0.79480%0.797SS**  trans159.177.6164.900000118.6
367M33.4Very low33.9Very low172 Ų172136.5 Ų136.585%0.84780%0.797SS**  trans-74.7155.6-178.2-54.8-152-57.200115.7
368V36.9Very low33.9Very low138 Ų138135.4 Ų135.484%0.83680%0.797SS**  -171.3139.5119.5145.30000109.9
369N30.9Very low33.5Very low143 Ų143140.2 Ų140.277%0.76581%0.808SS**  trans-99.6164.6-176.8-62-1.6000112.5
370G34.6Very low33.5Very low79 Ų79143.8 Ų143.881%0.81481%0.813SS**  trans-168.967.5175.300000113.4
371E31.7Very low33.6Very low198 Ų198143.8 Ų143.893%0.92581%0.808SS**  trans-74.9148171-66.5169.412600110.9
372G34.9Very low33.2Very low82 Ų82143.4 Ų143.485%0.84581%0.807SS**  trans-164.5116.1177.400000109.7
373D33.8Very low33.3Very low158 Ų158143.6 Ų143.685%0.84581%0.805SS**  trans-115.1-174.4-161-157-9.4000112.1
374E35.5Very low33.3Very low154 Ų154147.5 Ų147.572%0.7281%0.81SS**  trans79.798.8156.4-66.7-173.2167.100121.1
375T34.8Very low33.3Very low119 Ų119143.8 Ų143.873%0.7380%0.801SS**  77.3133.1123.563.70000124.3
376E30Very low33.8Very low177 Ų177143 Ų14383%0.82781%0.805SS**  trans37.5125.2135.3-55.1-167.6167.100122.2
377S32.8Very low33.9Very low116 Ų116146.9 Ų146.981%0.81181%0.806SS**  174.2168.690.548.90000113.4
378N30.6Very low33.6Very low154 Ų154144.1 Ų144.182%0.82480%0.802SS**  trans-65.6146-174.5-57.1-68.1000114
379F32Very low33.5Very low201 Ų201143.1 Ų143.188%0.88280%0.798SS**  trans-144.7139.5134.7-121.2-80.7000112.2V381F379-V381 HydrophobicContact CD1-CG2 4.22Å
380H29.6Very low33.6Very low180 Ų180140.8 Ų140.883%0.83380%0.799SS**  trans-114.7118.3-178.8-178.834.1000107.5
381V34.5Very low33.7Very low106 Ų106144.8 Ų144.864%0.64280%0.802SS**  trans-136.5129.3176.9-171.70000109.6F379 F383F379-V381 HydrophobicContact CD1-CG2 4.22Å; V381-F383 HydrophobicContact CG1-CD2 3.8Å; V381-F383 HydrophobicContact CG1-CE2 3.74Å
382E28.6Very low33.8Very low172 Ų172143.1 Ų143.180%0.80479%0.794SS**  trans-99.5140.4179.3179.5172.9-127.200108.6
383F35.4Very low33.9Very low197 Ų197147.4 Ų147.486%0.86480%0.798SS**  trans-145.5124.5173.9-99.7-74.1000112.2V381V381-F383 HydrophobicContact CG1-CD2 3.8Å; V381-F383 HydrophobicContact CG1-CE2 3.74Å
384D34.3Very low33.9Very low148 Ų148147.4 Ų147.479%0.79179%0.793SS**PPolyproline II helixtrans-77.6163.1-175.7-93.4-51000114.5
385P35.4Very low33.8Very low98 Ų98147.2 Ų147.264%0.63679%0.792SS**PPolyproline II helixtrans-78.6155.8-178.833-36.4000113.6I387P385-I387 PolarHBondContact O-N 2.95Å
386P47.2Very low33.8Very low133 Ų133149.3 Ų149.386%0.86480%0.798SS**PPolyproline II helixtrans-72.7122.9176.429.5-34000112
387I34.3Very low34Very low160 Ų160148.8 Ų148.882%0.82180%0.796SS**PPolyproline II helixtrans-86.1149169.8-65.5174.9000109.7P385P385-I387 PolarHBondContact O-N 2.95Å
388C28Very low34.2Very low114 Ų114148.6 Ų148.677%0.7780%0.795SS**PPolyproline II helixtrans-62.8157.2178.8-44.80000113.4
389P35.8Very low34.5Very low116 Ų116147 Ų14775%0.75379%0.793SS**PPolyproline II helixtrans-92.6148.4134.234.1-28.6000110.4
390A32.2Very low34.7Very low95 Ų95145.1 Ų145.179%0.78579%0.792SS**PPolyproline II helixtrans-95.2146.8158.800000108.3
391D37.2Very low35Very low162 Ų162143 Ų14387%0.86678%0.783SS**  trans-127.9127162.6-103.1-45.9000108.3
392E33.8Very low35.1Very low164 Ų164145.8 Ų145.877%0.76679%0.788SS**  trans-81.1143.8174.9-60178.5113.400109.5
393N37Very low35.6Very low171 Ų171142.7 Ų142.791%0.91478%0.783SS**  trans-154.4151.6147.4-108.2-71.1000110.5
394Q33.5Very low35.4Very low158 Ų158140.1 Ų140.174%0.73878%0.778SS**  trans-105.6164.1-154.1-68.5175.3-23.300113.9
395E33.3Very low35.4Very low151 Ų151141.5 Ų141.571%0.70678%0.784SS**  trans54.3114.9154.8-69.6179153.700119.5
396N35.1Very low35.1Very low162 Ų162142.6 Ų142.687%0.86679%0.785SS**  -153158.4104-109.4-76.6000112.7
397Q33.9Very low34.6Very low167 Ų167144.7 Ų144.778%0.7878%0.783SS**  trans-91.6172.3179.6-59.6156.420.100108.5
398S35.8Very low34.5Very low112 Ų112147.2 Ų147.278%0.78378%0.782SS**  cis-155.317321.555.60000111.3
399P37Very low34.8Very low121 Ų121148.1 Ų148.179%0.78678%0.778SS**  trans-110.1170.1-165.541.6-35.2000116.5
400D37.2Very low34.8Very low161 Ų161150 Ų15086%0.86178%0.782SS**  trans-170.3156.2152.9-109.2-24.5000107.5
401E35.8Very low34.8Very low136 Ų136152.9 Ų152.964%0.63678%0.784SS**  cis-153.8152.5-10.9-168.5-80.6128.900107.8P403E401-P403 VanDerWaalsContact OE1-CD 3.27Å; E401-P403 WeakPolarHBondContact OE1-CD 3.29Å
402Q36.7Very low34.8Very low163 Ų163150.9 Ų150.976%0.76278%0.783SS**  trans-160.4142.5161.9-88.3-160.82.300110.8
403P38.1Very low34.7Very low108 Ų108146 Ų14670%0.70178%0.776SS**  trans-111.5123.8157.822.3-4.2000112.3E401E401-P403 VanDerWaalsContact OE1-CD 3.27Å; E401-P403 WeakPolarHBondContact OE1-CD 3.29Å
404L31.9Very low34.5Very low143 Ų143144 Ų14475%0.74978%0.776SS**  trans-75.9162.5166.2-66.5160000111.1
405L33.9Very low34.3Very low177 Ų177145.3 Ų145.393%0.92778%0.782SS**  trans-142.8134.4141.4-112.2172.2000109.7
406N30.5Very low34.3Very low121 Ų121146.6 Ų146.665%0.64779%0.793SS**  trans-162.5109.3-162.6177.341.2000111.7
407E35.9Very low34.1Very low176 Ų176142.9 Ų142.982%0.82278%0.779SS**  trans-133.1133.7166.5-56.7-167.2123.300107
408R32.3Very low34.1Very low213 Ų213142.3 Ų142.380%0.80478%0.782SS**  cis60.5138.946.5-65.2-173.4162.2-171.6-3.7111.6
409I34.7Very low33.8Very low133 Ų133140.5 Ų140.568%0.68278%0.781SS**  cis-148.7153.1-3.4-116.4161.5000104.8
410D35.2Very low33.6Very low156 Ų156141.4 Ų141.483%0.83478%0.784SS**  -177.6169.691.5-135-39.2000113
411N32.3Very low33.3Very low155 Ų155138.4 Ų138.483%0.82978%0.782SS**  trans-149107.3-167.5-17721000115.2
412S36.4Very low33.2Very low120 Ų120138.6 Ų138.684%0.83979%0.792SS**  trans-166.4157.5161.9600000110.2
413G31.4Very low33Very low62 Ų62136.5 Ų136.564%0.63980%0.795SS**  cis165.8168.3-6.100000112.1
414S33.8Very low32.8Very low130 Ų130135.4 Ų135.491%0.90980%0.803SS**  trans76.8154.7176.580.30000118.7
415Q30.1Very low32.8Very low184 Ų184131.7 Ų131.786%0.8680%0.8SS**  trans-115.8166-178.4-57164.4-14.800109
416L33.4Very low32.8Very low178 Ų178128.4 Ų128.493%0.93279%0.792SS**  trans-169.8170.6131.2-104163.4000111.5
417S29.9Very low33Very low84 Ų84130.7 Ų130.759%0.58780%0.804SS**  trans-116.3-175.5-16164.10000114.7
418N33.9Very low32.9Very low155 Ų155126.1 Ų126.183%0.82980%0.804SS**  trans82.8132.9172.7-40-19.7000113.7
419G30.1Very low33Very low75 Ų75127.8 Ų127.877%0.77381%0.81SS**  cis117.1100.8-6.500000113.8
420V32.4Very low32.7Very low140 Ų140126.3 Ų126.385%0.84881%0.812SS**  trans-147.4142.9164.9167.50000108.3V422V420-V422 HydrophobicContact CG1-CG2 4.22Å
421A29.7Very low32.6Very low98 Ų98125.6 Ų125.681%0.8181%0.813SS**  trans-118.5151.7167.300000110.1
422V35.5Very low32.4Very low139 Ų139129.9 Ų129.984%0.84282%0.818SS**  trans-137.6140.5173.4-178.40000109V420V420-V422 HydrophobicContact CG1-CG2 4.22Å
423S30.8Very low32.3Very low119 Ų119130.1 Ų130.183%0.83282%0.819SS**  trans-146.7149.1-170.857.90000112.9
424G33.9Very low32.1Very low85 Ų85134.3 Ų134.388%0.87683%0.827SS**  trans110.3150.8177.600000112.6
425G33.1Very low32.1Very low66 Ų66133.5 Ų133.568%0.6882%0.819SS**  cis-157.4145.3-6.700000108.5
426S33.6Very low32Very low108 Ų108135.5 Ų135.576%0.75582%0.819SS**  94.2123.779.364.30000114.2
427D33.8Very low32Very low169 Ų169136.3 Ų136.390%0.90482%0.817SS**  trans75.2133.3160.3-55.6-31000121.9
428G34.9Very low31.9Very low79 Ų79138.6 Ų138.681%0.81483%0.828SS**  trans-169.711.3-175.700000118.9
429R33.6Very low31.7Very low248 Ų248143.1 Ų143.194%0.93683%0.833SS**  trans35.6128.9162.9-152.9172.1-167.3157.63.3122
430S28.4Very low31.6Very low102 Ų102150.9 Ų150.971%0.71384%0.839SS**  trans-73.6150176.6176.80000116.4
431T33.6Very low31.4Very low142 Ų142150.1 Ų150.187%0.87184%0.84SS**  trans-135.8155.6145.652.10000111.6
432R28.7Very low31.5Very low244 Ų244151.5 Ų151.592%0.92183%0.833SS**  trans-103.7142.1176.1-81.2172.9160.5173.9-6.3110.8
433S32.8Very low31.4Very low125 Ų125149.8 Ų149.887%0.87482%0.823SS**  trans-156.7141.5140.554.40000112.3
434N28.6Very low31.6Very low151 Ų151152 Ų15281%0.80782%0.824SS**  trans-124.3153166.4-142.6-19.4000103.8
435P34.1Very low31.7Very low112 Ų112153.1 Ų153.173%0.72782%0.818SS**  -150.2164.76939.8-20.8000117.1
436R27.4Very low31.8Very low227 Ų227156.1 Ų156.186%0.85781%0.814SS**  trans16.7119.7142.9-62.4176.8173.7173.2-3.1118.1
437H33.5Very low32Very low195 Ų195162.3 Ų162.390%0.90382%0.821SS**  trans-142.5138.9131.4-115.4-75.8000111.6
438T27.7Very low31.8Very low131 Ų131162.7 Ų162.780%0.80482%0.822SS**  trans-86.2133.917837.30000111.4
439R29.6Very low31.5Very low251 Ų251170.6 Ų170.695%0.94783%0.827SS**  trans-154.7143.8152.7-120.1173.3-174.4-170.5-0.4112.3
440R26.9Very low31.4Very low238 Ų238163.1 Ų163.190%0.89882%0.819SS**  trans-67.7143.6173.7-63.3169.2173.4161.4-5.5109.4
441S29.8Very low31.7Very low123 Ų123168.4 Ų168.486%0.8683%0.829SS**  trans-105140.8158-168.30000108.6
442L30.6Very low31.4Very low127 Ų127165.1 Ų165.167%0.66582%0.823SS**  trans-95.5167.2-172.8-72.3143.3000111.3E446L442-E446 WeakPolarHBondContact CB-OE2 3.4Å; L442-E446 WeakPolarHBondContact CD1-OE2 3.17Å
443T34.9Very low31.5Very low103 Ų103159.3 Ų159.363%0.63282%0.82SS**  trans-71.9163.4-179.247.20000112.3S445T443-S445 PolarHBondContact O-N 3.48Å
444I35Very low31.4Very low167 Ų167159.3 Ų159.386%0.85682%0.82SS**G310 helixtrans-60.1-16-175.7-70.3167.7000113.3E446I444-E446 PolarHBondContact O-N 3.26Å; I444-E446 VanDerWaalsContact O-N 3.11Å
445S35.3Very low31.4Very low108 Ų108155.2 Ų155.276%0.75581%0.814SS**G310 helixtrans-60-18-175.5-44.80000116.5T443T443-S445 PolarHBondContact O-N 3.48Å
446E35.5Very low31.2Very low129 Ų129158.3 Ų158.360%0.60382%0.822SS**G310 helixtrans-106.13.8-162.2-62.4-171136.300116.2L442 I444L442-E446 WeakPolarHBondContact CB-OE2 3.4Å; L442-E446 WeakPolarHBondContact CD1-OE2 3.17Å; I444-E446 PolarHBondContact O-N 3.26Å; I444-E446 VanDerWaalsContact O-N 3.11Å
447R36.4Very low31.2Very low238 Ų238153.8 Ų153.890%0.89882%0.82SS**SBendtrans-101.1-5.6-171.8-78.1-171.2174.4-176.2-0.1117.7
448L30.9Very low30.9Very low177 Ų177150.3 Ų150.393%0.92782%0.818SS**  trans-110.169.6-173.7-71.3172.1000113.5
449R27.6Very low30.7Very low244 Ų244148.3 Ų148.392%0.92181%0.814SS**  trans-15455.4173.3-149.5178.8-166.4178.55.2116.5
450A31.2Very low30.5Very low91 Ų91145 Ų14575%0.75281%0.814SS**  trans-154.3141.6165.900000113.7
451K36.4Very low30.4Very low214 Ų214138.6 Ų138.693%0.9381%0.812SS**  trans64.5121.5166.7-59.3-178.2-179.5-178.30117.6
452G27Very low30.2Very low73 Ų73135.6 Ų135.675%0.75380%0.801SS**  trans-140.8-172.8158.700000109.8
453S29.6Very low30Very low122 Ų122136.1 Ų136.185%0.85381%0.809SS**  trans69.2100176.8-1610000117.3
454S32.5Very low29.6Very low124 Ų124137.4 Ų137.487%0.86782%0.817SS**  -176.5158.310335.90000109.2
455G27.5Very low29.3Very low66 Ų66133.7 Ų133.768%0.6880%0.803SS**  trans-142.5-179.4178.100000111.2
456I30.2Very low28.8Very low177 Ų177138 Ų13891%0.90880%0.802SS**  trans-164.1166.2163.2-106.6147.1000109.4
457T26.8Very low28.4Very low132 Ų132136.2 Ų136.281%0.8180%0.804SS**  trans-95.5157.1-166.2500000114.2
458S27.1Very low27.9Very low122 Ų122130.1 Ų130.185%0.85379%0.789SS**  167.5148.7127.5-168.80000110.7
459A24.2Very low27.9Very low88 Ų88124.6 Ų124.673%0.72776%0.76SS**  trans-88.9154.5-175.400000113.4
460L25.2Very low28.1Very low181 Ų181117.6 Ų117.695%0.94874%0.741SS**  trans-164167.8132.7-104.6162.2000109.9
461A25.1Very low28Very low104 Ų104113.8 Ų113.886%0.8671%0.711SS**  trans-84.1138-166.800000113.9
462G25.3Very low27.8Very low61 Ų61109.6 Ų109.663%0.62970%0.695SS**  trans-165.1147.4170.800000110T464G462-T464 PolarHBondContact O-N 3.44Å
463V26Very low28.1Very low137 Ų137109 Ų10983%0.8367%0.674SS**  trans-86.8102.6179.8177.40000108.7
464T26Very low28.3Very low131 Ų131104.9 Ų104.980%0.80465%0.652SS**  trans-135.4166.5178.544.10000112.6G462G462-T464 PolarHBondContact O-N 3.44Å
465T29Very low28.6Very low89 Ų89100.4 Ų100.455%0.54662%0.618SS.*  trans-64.5146-164.146.80000114.3E867T465-E867 PolarHBondContact OG1-OE1 2.87Å; T465-E867 PolarHBondContact OG1-OE2 3.32Å
466R25.1Very low29.2Very low199 Ų199100.9 Ų100.975%0.75160%0.604SS**  trans-155.282.6158.8-113.8172.1-171-174.53.5110.8K45K45-R466 PolarHBondContact NZ-O 3.32Å
467S26.5Very low29.8Very low90 Ų9097.2 Ų97.263%0.62959%0.587SS**  trans-89.7116152.8-1710000106.7
468N27.1Very low30.6Very low111 Ų11191.4 Ų91.459%0.59455%0.551SS**  trans-124.6145.5-179.3-106.358.3000109.2
469N29.7Very low31.5Very low60 Ų6091.9 Ų91.932%0.32153%0.534SS..SBendtrans79.512.6174.8-48.2-8.5000116.6R154 R156R154-N469 PolarHBondContact NH2-O 3.23Å; R156-N469 PolarHBondContact NE-ND2 3.08Å; R156-N469 PolarHBondContact NH1-ND2 2.87Å
470N32.8Very low32.6Very low97 Ų9789.3 Ų89.352%0.51951%0.513SS..SBendtrans-82.7-42.3174.6-109.60000113.4R154 Q472R154-N470 VanDerWaalsContact CZ-O 3.29Å; R154-N470 PolarHBondContact NH1-O 3.27Å; R154-N470 PolarHBondContact NH1-OD1 3.05Å; R154-N470 PolarHBondContact NH2-O 3.43Å; N470-Q472 VanDerWaalsContact C-N 3.32Å; N470-Q472 PolarHBondContact O-N 3.28Å; N470-Q472 VanDerWaalsContact O-N 3.15Å
471G30Very low33.5Very low12 Ų1281 Ų8112%0.12447%0.47CS..Hα-helixtrans-55.6-32-177.600000117.3N473 G474 I475 E869G471-N473 PolarHBondContact O-N 2.84Å; G471-G474 PolarHBondContact O-N 3.1Å; G471-I475 WeakPolarHBondContact O-CG1 3.25Å; G471-I475 PolarHBondContact O-N 2.97Å; G471-I475 VanDerWaalsContact O-N 3.09Å; G471-E869 VanDerWaalsContact CA-CD 3.48Å; G471-E869 VanDerWaalsContact CA-OE1 3.26Å; G471-E869 WeakPolarHBondContact CA-OE1 3.05Å; G471-E869 WeakPolarHBondContact CA-OE2 3.31Å; G471-E869 PolarHBondContact N-OE1 3.07Å; G471-E869 PolarHBondContact N-OE2 3.19Å
472Q30.8Very low34.4Very low125 Ų12579.3 Ų79.358%0.58444%0.444SS*.Hα-helixtrans-57.3-45.9-172.9-137.576.141.600113.9N470 I475 D476N470-Q472 VanDerWaalsContact C-N 3.32Å; N470-Q472 PolarHBondContact O-N 3.28Å; N470-Q472 VanDerWaalsContact O-N 3.15Å; Q472-I475 WeakPolarHBondContact O-CB 3.39Å; Q472-I475 PolarHBondContact O-N 2.8Å; Q472-D476 PolarHBondContact O-N 3.24Å
473N34Very low35.6Very low60 Ų6079.5 Ų79.532%0.32143%0.434SS..Hα-helixtrans-70.9-31.6177.2-74.257.6000112R154 G471 I475 D476 D477R154-N473 VanDerWaalsContact CZ-CB 3.48Å; R154-N473 VanDerWaalsContact CZ-CG 3.41Å; R154-N473 PolarHBondContact NE-OD1 2.72Å; R154-N473 VanDerWaalsContact NH2-CB 3.28Å; R154-N473 VanDerWaalsContact NH2-N 3.13Å; R154-N473 PolarHBondContact NH2-OD1 3.33Å; G471-N473 PolarHBondContact O-N 2.84Å; N473-I475 PolarHBondContact O-N 2.86Å; N473-D476 PolarHBondContact O-N 3.25Å; N473-D476 VanDerWaalsContact O-N 3.16Å; N473-D477 VanDerWaalsContact O-CB 3.27Å; N473-D477 WeakPolarHBondContact O-CB 3.47Å; N473-D477 VanDerWaalsContact O-CG 3.31Å; N473-D477 PolarHBondContact O-N 3.42Å
474G34.5Very low36.5Very low37 Ų3777.7 Ų77.738%0.38142%0.417SS..Hα-helixtrans-60.4-37.8173.200000111.7G471 V478G471-G474 PolarHBondContact O-N 3.1Å; G474-V478 VanDerWaalsContact O-CB 3.3Å; G474-V478 WeakPolarHBondContact O-CB 3.32Å; G474-V478 WeakPolarHBondContact O-CG2 3.44Å; G474-V478 PolarHBondContact O-N 3.35Å; G474-V478 VanDerWaalsContact O-N 3.15Å
475I37.8Very low37.5Very low30 Ų3072.5 Ų72.515%0.15438%0.383CS..Hα-helixtrans-66.6-46.3172.9-58.5164.2000110.8G471 Q472 N473 R479 F871G471-I475 WeakPolarHBondContact O-CG1 3.25Å; G471-I475 PolarHBondContact O-N 2.97Å; G471-I475 VanDerWaalsContact O-N 3.09Å; Q472-I475 WeakPolarHBondContact O-CB 3.39Å; Q472-I475 PolarHBondContact O-N 2.8Å; N473-I475 PolarHBondContact O-N 2.86Å; I475-R479 WeakPolarHBondContact O-CB 3.31Å; I475-R479 PolarHBondContact O-N 2.92Å; I475-F871 HydrophobicContact CG1-CB 4.35Å; I475-F871 HydrophobicContact CG1-CD1 4.2Å
476D39.7Very low38.6Very low75 Ų7573 Ų7340%0.40138%0.382SS..Hα-helixtrans-74.9-33.7-176-73.1-36.8000113.8Q472 N473 R479 A480Q472-D476 PolarHBondContact O-N 3.24Å; N473-D476 PolarHBondContact O-N 3.25Å; N473-D476 VanDerWaalsContact O-N 3.16Å; D476-R479 PolarHBondContact O-N 3.07Å; D476-R479 IonicContact OD1-CZ 3.23Å; D476-R479 IonicContact OD1-NH1 3.38Å; D476-R479 PolarHBondContact OD1-NH1 3.23Å; D476-A480 WeakPolarHBondContact O-CB 3.37Å; D476-A480 PolarHBondContact O-N 2.86Å
477D43Very low39.7Very low100 Ų10066.9 Ų66.954%0.53536%0.359SS..Hα-helixtrans-70.6-42.3173.9-70.2-40.8000110.7N473 A480 A481N473-D477 VanDerWaalsContact O-CB 3.27Å; N473-D477 WeakPolarHBondContact O-CB 3.47Å; N473-D477 VanDerWaalsContact O-CG 3.31Å; N473-D477 PolarHBondContact O-N 3.42Å; D477-A480 PolarHBondContact O-N 3.04Å; D477-A481 WeakPolarHBondContact O-CB 3.2Å; D477-A481 PolarHBondContact O-N 2.91Å
478V44.1Very low40.8Very low10 Ų1068.5 Ų68.56%0.06135%0.351CS..Hα-helixtrans-66.3-39.1172.4171.20000111.3G474 A481 Q482 F871G474-V478 VanDerWaalsContact O-CB 3.3Å; G474-V478 WeakPolarHBondContact O-CB 3.32Å; G474-V478 WeakPolarHBondContact O-CG2 3.44Å; G474-V478 PolarHBondContact O-N 3.35Å; G474-V478 VanDerWaalsContact O-N 3.15Å; V478-A481 PolarHBondContact O-N 3.15Å; V478-Q482 HydrophobicContact CG1-CG 4.41Å; V478-Q482 WeakPolarHBondContact O-CB 3.21Å; V478-Q482 WeakPolarHBondContact O-CG 3.33Å; V478-Q482 PolarHBondContact O-N 2.91Å; V478-F871 HydrophobicContact CG1-CE1 4.43Å
479R46.2Very low41.7Very low132 Ų13269.8 Ų69.850%0.49835%0.348SS..Hα-helixtrans-65.4-39.9174.2179.3-177.2-69.5138.5-3.3111.3I475 D476 T483I475-R479 WeakPolarHBondContact O-CB 3.31Å; I475-R479 PolarHBondContact O-N 2.92Å; D476-R479 PolarHBondContact O-N 3.07Å; D476-R479 IonicContact OD1-CZ 3.23Å; D476-R479 IonicContact OD1-NH1 3.38Å; D476-R479 PolarHBondContact OD1-NH1 3.23Å; R479-T483 VanDerWaalsContact O-CB 3.23Å; R479-T483 WeakPolarHBondContact O-CB 3.4Å; R479-T483 PolarHBondContact O-N 2.76Å; R479-T483 PolarHBondContact O-OG1 2.98Å
480A46.4Very low42.2Very low35 Ų3572.4 Ų72.429%0.28936%0.358SS..Hα-helixtrans-65.5-44.5175.300000111.1D476 D477 T483 M484D476-A480 WeakPolarHBondContact O-CB 3.37Å; D476-A480 PolarHBondContact O-N 2.86Å; D477-A480 PolarHBondContact O-N 3.04Å; A480-T483 PolarHBondContact O-N 3.08Å; A480-M484 WeakPolarHBondContact O-CB 3.34Å; A480-M484 WeakPolarHBondContact O-CG 3.24Å; A480-M484 PolarHBondContact O-N 3.28Å
481A44.8Very low42.4Very low5 Ų571.4 Ų71.44%0.04136%0.355CS..Hα-helixtrans-61.4-49.7175.700000112.2D477 V478 T483 M484 Y485 Y768D477-A481 WeakPolarHBondContact O-CB 3.2Å; D477-A481 PolarHBondContact O-N 2.91Å; V478-A481 PolarHBondContact O-N 3.15Å; A481-T483 VanDerWaalsContact C-N 3.31Å; A481-T483 PolarHBondContact O-N 3.28Å; A481-M484 PolarHBondContact O-N 3.48Å; A481-Y485 VanDerWaalsContact O-CB 3.24Å; A481-Y485 WeakPolarHBondContact O-CB 3.39Å; A481-Y485 PolarHBondContact O-N 2.79Å; A481-Y768 VanDerWaalsContact CA-O 3.24Å; A481-Y768 WeakPolarHBondContact CA-O 3.27Å; A481-Y768 VanDerWaalsContact CB-O 3.25Å; A481-Y768 WeakPolarHBondContact CB-O 3.33Å
482Q44.4Very low42.7Very low69 Ų6973.8 Ų73.832%0.32237%0.37SS..Hα-helixtrans-57-43.5172.6-76.2177.9-11.300111.5V478 L486 M790V478-Q482 HydrophobicContact CG1-CG 4.41Å; V478-Q482 WeakPolarHBondContact O-CB 3.21Å; V478-Q482 WeakPolarHBondContact O-CG 3.33Å; V478-Q482 PolarHBondContact O-N 2.91Å; Q482-L486 VanDerWaalsContact O-CB 3.29Å; Q482-L486 WeakPolarHBondContact O-CB 3.43Å; Q482-L486 WeakPolarHBondContact O-CG 3.46Å; Q482-L486 PolarHBondContact O-N 3.38Å; Q482-M790 PolarHBondContact NE2-O 3.38Å
483T50Low42.8Very low65 Ų6574.5 Ų74.540%0.39937%0.372SS..Hα-helixtrans-64.7-45.5179.4-56.50000111.8A311 R479 A480 A481 R487A311-T483 HydrophobicContact CB-CG2 4.46Å; R479-T483 VanDerWaalsContact O-CB 3.23Å; R479-T483 WeakPolarHBondContact O-CB 3.4Å; R479-T483 PolarHBondContact O-N 2.76Å; R479-T483 PolarHBondContact O-OG1 2.98Å; A480-T483 PolarHBondContact O-N 3.08Å; A481-T483 VanDerWaalsContact C-N 3.31Å; A481-T483 PolarHBondContact O-N 3.28Å; T483-R487 WeakPolarHBondContact O-CB 3.47Å; T483-R487 PolarHBondContact O-N 3.48Å
484M45.3Very low42.9Very low99 Ų9977.7 Ų77.749%0.48838%0.384SS..Hα-helixtrans-66.7-43.1177.4-73-166.4-176.300112A480 A481 R487 R488 Y768A480-M484 WeakPolarHBondContact O-CB 3.34Å; A480-M484 WeakPolarHBondContact O-CG 3.24Å; A480-M484 PolarHBondContact O-N 3.28Å; A481-M484 PolarHBondContact O-N 3.48Å; M484-R487 PolarHBondContact O-N 2.82Å; M484-R488 PolarHBondContact O-N 3.23Å; M484-Y768 HydrophobicContact CE-CD1 4.35Å; M484-Y768 HydrophobicContact SD-CD1 4.12Å; M484-Y768 HydrophobicContact SD-CG 3.97Å
485Y46.8Very low43Very low23 Ų2380.9 Ų80.99%0.0939%0.393CS..Hα-helixtrans-62-52177.9177.2-118000111.7A481 R487 R489 Y769 N792A481-Y485 VanDerWaalsContact O-CB 3.24Å; A481-Y485 WeakPolarHBondContact O-CB 3.39Å; A481-Y485 PolarHBondContact O-N 2.79Å; Y485-R487 PolarHBondContact O-N 2.76Å; Y485-R489 WeakPolarHBondContact O-CB 3.46Å; Y485-R489 PolarHBondContact O-N 3.47Å; Y485-Y769 HydrophobicContact CD2-CD1 4.42Å; Y485-N792 HydrophobicContact CE1-CB 4.4Å; Y485-N792 VanDerWaalsContact CZ-ND2 3.33Å; Y485-N792 PolarHBondContact OH-ND2 3.24Å; Y485-N792 PolarHBondContact OH-OD1 3.26Å
486L50.8Low42.9Very low100 Ų10084.1 Ų84.152%0.52441%0.414SS..Hα-helixtrans-57.3-37.6175.6-72.6170.6000111.7Q482 R489 Q490Q482-L486 VanDerWaalsContact O-CB 3.29Å; Q482-L486 WeakPolarHBondContact O-CB 3.43Å; Q482-L486 WeakPolarHBondContact O-CG 3.46Å; Q482-L486 PolarHBondContact O-N 3.38Å; L486-R489 WeakPolarHBondContact O-CB 3.18Å; L486-R489 PolarHBondContact O-N 2.78Å; L486-Q490 WeakPolarHBondContact O-CG 3.42Å; L486-Q490 PolarHBondContact O-N 2.98Å
487R49.4Very low42.8Very low69 Ų6985.3 Ų85.326%0.2642%0.42SS..Hα-helixtrans-79.6-38.4-175.5-165.8150.7175.7-102.65114.1D310 A311 N312 T483 M484 Y485 R489 Q490 V491D310-R487 IonicContact OD2-NH2 3.11Å; D310-R487 PolarHBondContact OD2-NH2 2.71Å; A311-R487 PolarHBondContact O-NH1 2.86Å; A311-R487 VanDerWaalsContact O-NH1 3.15Å; N312-R487 PolarHBondContact ND2-NH1 3.13Å; N312-R487 PolarHBondContact ND2-NH2 3.1Å; N312-R487 PolarHBondContact OD1-NH1 3.17Å; T483-R487 WeakPolarHBondContact O-CB 3.47Å; T483-R487 PolarHBondContact O-N 3.48Å; M484-R487 PolarHBondContact O-N 2.82Å; Y485-R487 PolarHBondContact O-N 2.76Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 2.75Å; R487-Q490 PolarHBondContact O-N 3.4Å; R487-V491 WeakPolarHBondContact O-CG2 3.47Å; R487-V491 PolarHBondContact O-N 2.81Å
488R49.1Very low42.4Very low124 Ų12484.4 Ų84.447%0.46842%0.421SS..Hα-helixtrans-61.1-38.5166.1-89.6-172.7168.7-178.1-4.6110.6M484 V491 S492 E763 Y769M484-R488 PolarHBondContact O-N 3.23Å; R488-V491 PolarHBondContact O-N 3.09Å; R488-S492 PolarHBondContact O-N 3.03Å; R488-E763 IonicContact CZ-OE2 3.98Å; R488-E763 IonicContact NH1-OE2 2.73Å; R488-E763 PolarHBondContact NH1-OE2 2.9Å; R488-E763 IonicContact NH2-OE2 3.68Å; R488-E763 PolarHBondContact NH2-OE2 2.93Å; R488-Y769 PolarHBondContact NH1-OH 2.86Å
489R46.7Very low42Very low138 Ų13891.8 Ų91.852%0.52146%0.455SS..Hα-helixtrans-63.7-40.7174.9-157.9-178.5-161.7-173.613.1112.5Y485 L486 R487 S492 F493 E794Y485-R489 WeakPolarHBondContact O-CB 3.46Å; Y485-R489 PolarHBondContact O-N 3.47Å; L486-R489 WeakPolarHBondContact O-CB 3.18Å; L486-R489 PolarHBondContact O-N 2.78Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 2.75Å; R489-S492 PolarHBondContact O-OG 2.76Å; R489-F493 PolarHBondContact O-N 3.25Å; R489-E794 IonicContact NH2-OE2 2.75Å
490Q40.3Very low41.3Very low116 Ų11691.1 Ų91.154%0.54246%0.461SS..Hα-helixtrans-63.4-48.8174.2-76.5-176.8-74.400112.4L486 R487 S492 F493 E494L486-Q490 WeakPolarHBondContact O-CG 3.42Å; L486-Q490 PolarHBondContact O-N 2.98Å; R487-Q490 PolarHBondContact O-N 3.4Å; Q490-S492 VanDerWaalsContact C-N 3.31Å; Q490-S492 PolarHBondContact O-N 3.42Å; Q490-F493 WeakPolarHBondContact O-CA 3.47Å; Q490-F493 WeakPolarHBondContact O-CB 3.43Å; Q490-F493 PolarHBondContact O-N 3.46Å; Q490-E494 PolarHBondContact O-N 2.93Å
491V36.2Very low40.8Very low75 Ų7595.5 Ų95.546%0.45549%0.486SS..Hα-helixtrans-55.3-47.4176.3172.60000110.7R487 R488 F493 E494 D495R487-V491 WeakPolarHBondContact O-CG2 3.47Å; R487-V491 PolarHBondContact O-N 2.81Å; R488-V491 PolarHBondContact O-N 3.09Å; V491-F493 PolarHBondContact O-N 2.93Å; V491-F493 VanDerWaalsContact O-N 3.13Å; V491-E494 PolarHBondContact O-N 3.39Å; V491-D495 WeakPolarHBondContact CG1-OD2 3.45Å; V491-D495 PolarHBondContact O-N 3.42Å
492S36.6Very low40.1Very low62 Ų62101.1 Ų101.143%0.43452%0.519SS..Hα-helixtrans-60.6-25.7177.174.60000114.4R488 R489 Q490 T496R488-S492 PolarHBondContact O-N 3.03Å; R489-S492 PolarHBondContact O-OG 2.76Å; Q490-S492 VanDerWaalsContact C-N 3.31Å; Q490-S492 PolarHBondContact O-N 3.42Å; S492-T496 WeakPolarHBondContact O-CB 3.1Å; S492-T496 PolarHBondContact O-N 3.06Å; S492-T496 PolarHBondContact O-OG1 3.27Å
493F32.7Very low39.6Very low141 Ų141103.4 Ų103.462%0.61854%0.543SS*.Hα-helixtrans-85.5-35.7179.3-158.9-101.9000111.9R489 Q490 V491 T496 L497R489-F493 PolarHBondContact O-N 3.25Å; Q490-F493 WeakPolarHBondContact O-CA 3.47Å; Q490-F493 WeakPolarHBondContact O-CB 3.43Å; Q490-F493 PolarHBondContact O-N 3.46Å; V491-F493 PolarHBondContact O-N 2.93Å; V491-F493 VanDerWaalsContact O-N 3.13Å; F493-T496 PolarHBondContact O-N 3.39Å; F493-L497 HydrophobicContact CD1-CD1 3.77Å; F493-L497 HydrophobicContact CE1-CD1 3.69Å; F493-L497 WeakPolarHBondContact O-CG 3.08Å; F493-L497 PolarHBondContact O-N 2.95Å
494E37.4Very low38.8Very low127 Ų127107 Ų10759%0.59356%0.559SS**Hα-helixtrans-69.5-43.2175-69.1174.8163.800111Q490 V491 T496 L497 S498Q490-E494 PolarHBondContact O-N 2.93Å; V491-E494 PolarHBondContact O-N 3.39Å; E494-T496 VanDerWaalsContact C-N 3.28Å; E494-T496 PolarHBondContact O-N 2.98Å; E494-L497 PolarHBondContact O-N 2.68Å; E494-L497 VanDerWaalsContact O-N 3.1Å; E494-S498 PolarHBondContact O-N 3.39Å
495D34.9Very low38.4Very low104 Ų104109 Ų10956%0.55657%0.572SS**Hα-helixtrans-68.6-21.6174.8-69.9-32.1000113.6V491 S498V491-D495 WeakPolarHBondContact CG1-OD2 3.45Å; V491-D495 PolarHBondContact O-N 3.42Å; D495-S498 PolarHBondContact O-OG 3.19Å; D495-S498 VanDerWaalsContact O-OG 3.13Å
496T37.2Very low37.8Very low98 Ų98113.9 Ų113.960%0.60160%0.604SS**Hα-helixtrans-83.4-15.7173-55.50000112.3S492 F493 E494S492-T496 WeakPolarHBondContact O-CB 3.1Å; S492-T496 PolarHBondContact O-N 3.06Å; S492-T496 PolarHBondContact O-OG1 3.27Å; F493-T496 PolarHBondContact O-N 3.39Å; E494-T496 VanDerWaalsContact C-N 3.28Å; E494-T496 PolarHBondContact O-N 2.98Å
497L35.8Very low36.9Very low100 Ų100114.8 Ų114.852%0.52462%0.616SS.*Hα-helixtrans-97-18.3-179.9-75.3170.2000113.8F493 E494 H499F493-L497 HydrophobicContact CD1-CD1 3.77Å; F493-L497 HydrophobicContact CE1-CD1 3.69Å; F493-L497 WeakPolarHBondContact O-CG 3.08Å; F493-L497 PolarHBondContact O-N 2.95Å; E494-L497 PolarHBondContact O-N 2.68Å; E494-L497 VanDerWaalsContact O-N 3.1Å; L497-H499 VanDerWaalsContact C-N 3.31Å; L497-H499 PolarHBondContact O-N 3.25Å
498S35.1Very low36Very low80 Ų80119.2 Ų119.256%0.55964%0.644SS**THydrogen-bonded Turntrans-73.9-14.8-178.957.30000114.8E494 D495E494-S498 PolarHBondContact O-N 3.39Å; D495-S498 PolarHBondContact O-OG 3.19Å; D495-S498 VanDerWaalsContact O-OG 3.13Å
499H37.1Very low35.4Very low165 Ų165118.1 Ų118.176%0.76465%0.653SS**THydrogen-bonded Turntrans-106.724-175.1-77.6-73.2000115L497L497-H499 VanDerWaalsContact C-N 3.31Å; L497-H499 PolarHBondContact O-N 3.25Å
500L30.6Very low34.7Very low119 Ų119117.6 Ų117.662%0.62366%0.66SS**SBendtrans-108.1122174.8-67.4173.7000111.3V502L500-V502 PolarHBondContact O-N 3.34Å
501P34.9Very low34.4Very low126 Ų126118.2 Ų118.282%0.81867%0.667SS**  trans-70122.3178.228-33.2000110.9
502V30.2Very low34.5Very low123 Ų123119.2 Ų119.275%0.74568%0.678SS**  trans-78.5124.5177.2177.80000110.3L500 L504L500-V502 PolarHBondContact O-N 3.34Å; V502-L504 HydrophobicContact CG1-CD1 3.89Å
503S34.9Very low34.3Very low117 Ų117123.5 Ų123.582%0.81870%0.696SS**  trans-151.2113.5161.3-720000108.9
504L33.1Very low34.2Very low141 Ų141121.4 Ų121.474%0.73870%0.698SS**  trans-84.6136.8169.4-78.667.6000108.2V502V502-L504 HydrophobicContact CG1-CD1 3.89Å
505D36.3Very low34Very low141 Ų141123.7 Ų123.775%0.75471%0.709SS**  177.7110.5107.7-93.4-20.1000114.1
506T34.4Very low34Very low126 Ų126123.4 Ų123.477%0.77372%0.715SS**  trans63.9-179.4143-14.40000117.2
507P32.7Very low33.8Very low118 Ų118126.5 Ų126.577%0.76673%0.726SS**  -117.2165.7-106.141-28000117.5
508L30.2Very low33.8Very low162 Ų162127 Ų12785%0.84874%0.735SS**  trans-50.8164.2166.1-68.4170.8000115.1
509P35.5Very low34.1Very low102 Ų102128.3 Ų128.366%0.66274%0.741SS**  cis-139.5-170.5-18.831.9-9.1000115
510N33Very low33.9Very low126 Ų126126.6 Ų126.667%0.67474%0.743SS**  trans113.6128148.7-83.947.3000120.7
511D34.4Very low34Very low129 Ų129125.8 Ų125.869%0.6975%0.747SS**  trans66.3100.1140.9-54.7-27.7000123.3
512S36.6Very low34Very low97 Ų97124.4 Ų124.468%0.67874%0.741SS**  93.8128.6119.476.10000121.5
513N34.2Very low34.2Very low152 Ų152125.9 Ų125.981%0.81374%0.744SS**  trans63.2145.8149.6-56.3-16.8000118.7
514C29.8Very low34.1Very low97 Ų97124.4 Ų124.466%0.65573%0.734SS**  cis-156.8178.7-14.2-120.40000109.4
515E32.2Very low34.3Very low175 Ų175124.3 Ų124.382%0.81873%0.734SS**  trans23.4141.8145-65.4167.8141.800121.1
516S35.3Very low34.2Very low98 Ų98123 Ų12369%0.68573%0.731SS**  cis-173147.30.948.80000113
517I32.7Very low34.3Very low162 Ų162123.9 Ų123.983%0.83173%0.731SS**  trans51.7132.2140.9-57.4175.3000121.2
518P36.5Very low34.2Very low110 Ų110123.6 Ų123.671%0.71473%0.728SS**  trans-102.2-150.2178.446-40000111.9
519P40.9Very low34.6Very low108 Ų108122.5 Ų122.570%0.70172%0.721SS**  cis-132.7-175.4-17.842-25.3000114.8
520T32.8Very low34.5Very low130 Ų130125.3 Ų125.380%0.79873%0.725SS**  trans166.8137.313343.40000117.7
521S33.8Very low34.7Very low102 Ų102125.4 Ų125.471%0.71373%0.725SS**  trans60.9124.413868.50000127.8
522S33.7Very low34.8Very low97 Ų97125.7 Ų125.768%0.67873%0.732SS**  85.7139.3121.466.30000126.5
523N34.6Very low34.7Very low153 Ų153128.4 Ų128.482%0.81874%0.739SS**  trans73.7158.7152.3-62.82.5000120.8
524S34Very low35.1Very low86 Ų86126 Ų12660%0.60173%0.731SS**  cis-172.1-173.1-3258.90000111.5
525D37.1Very low35.6Very low140 Ų140126.4 Ų126.475%0.74974%0.735SS**  trans83.1160.3158.4-51.2-6.7000121.1
526T33.7Very low35.8Very low112 Ų112123.1 Ų123.169%0.68773%0.732SS**  -166.9168.8-54.139.20000113.5
527N36.1Very low35.9Very low145 Ų145123.2 Ų123.278%0.77573%0.732SS**  trans99.7170.7157.5-54.4-78.3000121.4
528T32.3Very low36Very low113 Ų113121 Ų12169%0.69373%0.727SS**  -161.7174.6-71.9-32.50000112.1
529I36.6Very low35.9Very low138 Ų138123.3 Ų123.371%0.70873%0.733SS**  trans88.4102.9152.7-72.1166.5000119.9
530E33.6Very low35.4Very low161 Ų161123.9 Ų123.975%0.75273%0.734SS**  102.4158.489-76.7-163.8139.200114.3
531L36.9Very low35.5Very low129 Ų129125.7 Ų125.768%0.67574%0.738SS**  cis-165.5171.6-9.6-116.6178.9000114.5
532T36.7Very low35.4Very low135 Ų135125.9 Ų125.983%0.82873%0.734SS**  trans83.8143.3151.240.70000125.6
533D35.9Very low35.3Very low154 Ų154128.2 Ų128.282%0.82474%0.739SS**  trans-116.3-140.2-169.1-157.317.3000111.4
534P42.5Very low35.3Very low101 Ų101127.3 Ų127.366%0.65674%0.74SS**  cis-141.2177.82.946.3-26.1000120.3
535S39.2Very low35.2Very low105 Ų105128.9 Ų128.973%0.73475%0.746SS**  trans82.6156.4149.186.20000119.4
536S36.3Very low35.1Very low106 Ų106127.5 Ų127.574%0.74175%0.747SS**  cis-175.5168-7.6400000109.9
537S38.4Very low35.1Very low100 Ų100132 Ų13270%0.69975%0.751SS**  cis-172.9135.2-23.657.30000113.5
538T34.3Very low34.9Very low116 Ų116131.5 Ų131.571%0.71275%0.748SS**  trans53.1133148.1-12.30000124.6
539N34.9Very low35Very low158 Ų158133.9 Ų133.985%0.84575%0.752SS**  173.1167.3113.9-89-37.4000116.8
540T29.4Very low34.8Very low120 Ų120132.4 Ų132.474%0.73675%0.754SS**  trans-130.3161.4-163.8-46.20000112.9
541I35.6Very low34.7Very low169 Ų169130 Ų13087%0.86776%0.755SS**  trans-174167150.1-100.4152.6000112.6
542T31Very low35Very low105 Ų105129.6 Ų129.664%0.64476%0.759SS**  trans-134.8173.8-162.353.80000116.6
543N31.3Very low34.7Very low146 Ų146130.1 Ų130.178%0.78176%0.757SS**  trans77160.4167.4-54.3-27.2000117.1
544T34.5Very low34.8Very low134 Ų134131.4 Ų131.482%0.82276%0.758SS**  cis-151-153.423.3-310000113.9
545T33.1Very low34.2Very low119 Ų119135.4 Ų135.473%0.7377%0.768SS**  trans-125.4169-150530000119.9
546S33.9Very low34Very low112 Ų112133.5 Ų133.578%0.78377%0.765SS**  trans86163.9154.781.50000118.6
547R34.3Very low34Very low205 Ų205136.4 Ų136.477%0.77477%0.771SS**  cis-166.5148.814.6-167.5173.5170.5160.9-2.5113.8
548L32.6Very low33.7Very low136 Ų136137.7 Ų137.771%0.71277%0.77SS**  trans25.3173.8151.6-54.3170.4000122.3
549E33.8Very low33.8Very low163 Ų163140.2 Ų140.276%0.76277%0.773SS**  cis-166.3-160.429.9-144.2147.9-101.500114.5
550S32.1Very low33.7Very low107 Ų107138 Ų13875%0.74877%0.765SS**  trans-114.5-173-166.563.10000116.1
551S32.5Very low33.9Very low111 Ų111137.5 Ų137.578%0.77676%0.758SS**  cis-165.8179.717.7-130.60000113.2
552P42.5Very low33.8Very low119 Ų119136.9 Ų136.977%0.77375%0.749SS**  trans-114.1-177.5-169.143.3-36.2000118.6
553N31.6Very low33.8Very low146 Ų146137.8 Ų137.878%0.78175%0.75SS**  trans113.8175.1151.3-152.422.2000119.2
554E36.4Very low33.7Very low182 Ų182140.5 Ų140.585%0.8575%0.749SS**  trans113.8171.2172-59.8-157.6156.200118.6
555Q31.4Very low33.5Very low184 Ų184143.7 Ų143.786%0.8675%0.746SS**  trans-154.9164.2-137.6-75.7175.80.900117
556G34.7Very low33.3Very low65 Ų65145.6 Ų145.667%0.6775%0.75SS**  trans166.1129.9164.600000112.1
557I35.2Very low32.9Very low167 Ų167143.6 Ų143.686%0.85675%0.747SS**  cis88123.646.3-69.5167.7000112.3
558D33Very low32.5Very low127 Ų127142.2 Ų142.268%0.67975%0.749SS**  cis-164.3-168.4-17.8-162.1-100.9000109.9
559H36.8Very low32.2Very low169 Ų169142.9 Ų142.978%0.78275%0.752SS**  trans77.3152.7159.7-71.2-15.2000121.5
560V32.3Very low31.9Very low111 Ų111141 Ų14167%0.67375%0.752SS**  cis-170.5145.5-42.9118.30000112.4
561D33.4Very low31.6Very low110 Ų110144.1 Ų144.159%0.58876%0.759SS**  trans71.2125.8153.3-85.9-30.4000127.2
562K33Very low31.3Very low157 Ų157141.5 Ų141.568%0.68375%0.75SS**  87.2104.2124-74.2165.1-173.3143.80124.1
563N31.2Very low30.7Very low123 Ų123143.7 Ų143.766%0.65875%0.754SS**  101.8123.9110.8-91.6-38.9000122.3
564R29.8Very low30.6Very low204 Ų204144.6 Ų144.677%0.7776%0.759SS**  trans72.2140.3144.1-68.4174.8176.8-170.3-2.6116.7
565R30.2Very low30.5Very low200 Ų200140.9 Ų140.976%0.75574%0.743SS**  cis-161.4143.514.2-125.1174.2-175.9-178.81.3111.2
566I28.5Very low30.8Very low160 Ų160135.5 Ų135.582%0.82173%0.73SS**  trans50.1118.2147.1-56.4158.8000118.8
567G26.2Very low30.6Very low70 Ų70139.2 Ų139.272%0.72274%0.743SS**  trans151.3110.1155.100000115.6
568E24.6Very low31Very low175 Ų175135.2 Ų135.282%0.81874%0.743SS**  trans37.7119.4150.9-81.4-178.3118.100123.3
569I26.1Very low31.8Very low150 Ų150134.1 Ų134.177%0.76973%0.734SS**  trans75.1149.2145.9-42.2159.3000117.3
570V27.5Very low32.8Very low125 Ų125132.4 Ų132.476%0.75873%0.726SS**  trans66.7102.4173.2-160.80000117.9
571L26.8Very low34.5Very low172 Ų172131.4 Ų131.490%0.90172%0.722SS**  trans-142.1135.8137.5-71.6-179.9000106.4
572G26.2Very low36.7Very low56 Ų56128.3 Ų128.358%0.57771%0.705SS**  cis94.192.311.900000110
573L29.7Very low38.8Very low164 Ų164123.2 Ų123.286%0.85969%0.688SS**  trans-118.7133.2174.6-74.8175.6000109.5
574D29.3Very low40.8Very low166 Ų166125.8 Ų125.889%0.88870%0.696SS**  trans-70133.9-172.7-50.8-81.9000112.2
575I34.6Very low43.1Very low103 Ų103117.3 Ų117.353%0.52867%0.672SS.*  trans-109.6124.2172.1-58.5179.9000107.8E579 P581I575-E579 HydrophobicContact CG2-CB 4.03Å; I575-E579 WeakPolarHBondContact CG2-O 3.34Å; I575-P581 HydrophobicContact CD1-CB 4.13Å
576A37.7Very low45.7Very low71 Ų71110.6 Ų110.659%0.58765%0.647SS**  trans-65.3148.417700000111.1G578 E579A576-G578 PolarHBondContact O-N 3.4Å; A576-E579 PolarHBondContact O-N 2.86Å
577P29.9Very low48.3Very low144 Ų144107.4 Ų107.494%0.93563%0.628SS**THydrogen-bonded Turntrans-65.995.9-177.227.3-35.1000111.3
578G44.4Very low51Low82 Ų82107.3 Ų107.385%0.84561%0.611SS**THydrogen-bonded Turntrans149.6-19.1178.100000116A576A576-G578 PolarHBondContact O-N 3.4Å
579E48.9Very low53.4Low105 Ų10599.8 Ų99.849%0.49158%0.578SS.*PPolyproline II helixtrans-92.3132.2175-78.8-162.9-141.300112I575 A576 R612I575-E579 HydrophobicContact CG2-CB 4.03Å; I575-E579 WeakPolarHBondContact CG2-O 3.34Å; A576-E579 PolarHBondContact O-N 2.86Å; E579-R612 IonicContact OE2-CZ 2.99Å; E579-R612 VanDerWaalsContact OE2-CZ 3.26Å; E579-R612 IonicContact OE2-NH1 2.68Å; E579-R612 PolarHBondContact OE2-NH1 3.42Å; E579-R612 IonicContact OE2-NH2 2.71Å; E579-R612 PolarHBondContact OE2-NH2 2.93Å
580E57.7Low56Low132 Ų132100.2 Ų100.262%0.61757%0.57SS**PPolyproline II helixtrans-64.5142.3167.5-74.7-163143.600110.7R612E580-R612 WeakPolarHBondContact O-CD 3.3Å; E580-R612 PolarHBondContact O-NH1 3.36Å
581P69.5Low57.7Low91 Ų9196.1 Ų96.159%0.59155%0.546SS*.PPolyproline II helixtrans-63.5149.7174.328.6-35.2000111.3I575I575-P581 HydrophobicContact CD1-CB 4.13Å
582L78.4Confident59Low45 Ų4593.8 Ų93.824%0.23655%0.551CS.*PPolyproline II helixtrans-61146.3173.2-76.3174.3000111W586 L588 F598 P611 R612L582-W586 HydrophobicContact CB-CB 4.1Å; L582-L588 HydrophobicContact CD1-CB 3.91Å; L582-F598 HydrophobicContact CD1-CD1 4.23Å; L582-F598 HydrophobicContact CD2-CD1 3.95Å; L582-F598 HydrophobicContact CD2-CE1 4Å; L582-P611 HydrophobicContact CD2-CG 3.62Å; L582-R612 HydrophobicContact CD2-CG 4.34Å
583P77.4Confident60.1Low49 Ų4995.7 Ų95.732%0.31856%0.556SS.*PPolyproline II helixtrans-58.2151.5177.6-22.433.2000112.1G585 W586 P611P583-G585 PolarHBondContact O-N 3.11Å; P583-W586 HydrophobicContact CB-CG 4.42Å; P583-W586 VanDerWaalsContact O-CB 3.31Å; P583-W586 WeakPolarHBondContact O-CB 3.34Å; P583-W586 PolarHBondContact O-N 3.16Å; P583-P611 HydrophobicContact CG-CB 4.29Å; P583-P611 HydrophobicContact CG-CG 4.37Å
584Q73.9Confident61.4Low177 Ų17789.8 Ų89.883%0.82754%0.535SS*.THydrogen-bonded Turntrans-55.2128.6-176.2-171.3175.8900111.9N602Q584-N602 PolarHBondContact O-ND2 2.75Å
585G78.3Confident62.8Low26 Ų2690.3 Ų90.327%0.26852%0.524SS..THydrogen-bonded Turntrans83.25.4-174.800000115P583 H601P583-G585 PolarHBondContact O-N 3.11Å; G585-H601 WeakPolarHBondContact O-CB 3.46Å; G585-H601 PolarHBondContact O-CD2 3.46Å; G585-H601 PolarHBondContact O-N 2.79Å
586W85.1Confident64.8Low60 Ų6089.8 Ų89.823%0.22752%0.518CS..EExtended strand (participates in β ladder)trans-99.4135169.3-69.971.8000111.9L582 P583 F598 I599 N600 T607 P611L582-W586 HydrophobicContact CB-CB 4.1Å; P583-W586 HydrophobicContact CB-CG 4.42Å; P583-W586 VanDerWaalsContact O-CB 3.31Å; P583-W586 WeakPolarHBondContact O-CB 3.34Å; P583-W586 PolarHBondContact O-N 3.16Å; W586-F598 HydrophobicContact CE3-CB 3.98Å; W586-F598 HydrophobicContact CZ3-CB 4.07Å; W586-I599 CarbonylContact C-O 3.53Å; W586-I599 VanDerWaalsContact CA-O 3.27Å; W586-I599 WeakPolarHBondContact CA-O 3.33Å; W586-N600 HydrophobicContact CD2-CB 3.92Å; W586-N600 HydrophobicContact CE3-CB 4.1Å; W586-N600 HydrophobicContact CH2-CB 4Å; W586-N600 HydrophobicContact CZ2-CB 3.77Å; W586-N600 WeakPolarHBondContact CZ2-ND2 3.43Å; W586-N600 HydrophobicContact CZ3-CB 4.15Å; W586-T607 HydrophobicContact CH2-CG2 4.22Å; W586-T607 HydrophobicContact CZ3-CG2 3.76Å; W586-P611 HydrophobicContact CD2-CB 3.86Å; W586-P611 HydrophobicContact CD2-CG 3.74Å; W586-P611 HydrophobicContact CE3-CB 3.78Å; W586-P611 HydrophobicContact CE3-CG 3.5Å; W586-P611 VanDerWaalsContact CE3-CG 3.5Å; W586-P611 HydrophobicContact CG-CG 4.2Å; W586-P611 HydrophobicContact CH2-CB 3.94Å; W586-P611 HydrophobicContact CZ2-CB 4.03Å; W586-P611 HydrophobicContact CZ3-CB 3.8Å; W586-P611 HydrophobicContact CZ3-CG 3.92Å
587E81.2Confident66.9Low92 Ų9288.4 Ų88.443%0.4350%0.499SS..EExtended strand (participates in β ladder)trans-121.7142.3177177.8-177167.500110.7F598 I599 H601E587-F598 CarbonylContact O-C 3.57Å; E587-F598 WeakPolarHBondContact O-CA 3.48Å; E587-I599 HydrophobicContact CB-CB 4.33Å; E587-I599 PolarHBondContact N-O 3.14Å; E587-I599 PolarHBondContact O-N 3.29Å; E587-H601 IonicContact OE2-CD2 3.32Å; E587-H601 IonicContact OE2-CE1 3.24Å; E587-H601 PolarHBondContact OE2-CE1 3Å; E587-H601 IonicContact OE2-NE2 3.01Å; E587-H601 PolarHBondContact OE2-NE2 2.93Å
588L83.6Confident69.5Low68 Ų6881.9 Ų81.936%0.35646%0.456SS..EExtended strand (participates in β ladder)trans-90.9115.1169.2174.966.1000110.1L582 K596 F598L582-L588 HydrophobicContact CD1-CB 3.91Å; L588-K596 HydrophobicContact CD1-CB 3.86Å; L588-K596 HydrophobicContact CD1-CD 3.92Å; L588-K596 HydrophobicContact CD1-CG 3.91Å; L588-K596 HydrophobicContact CD2-CD 4.4Å; L588-F598 HydrophobicContact CD1-CD1 4.06Å; L588-F598 HydrophobicContact CD1-CE1 3.68Å; L588-F598 HydrophobicContact CD1-CZ 3.99Å
589A75.3Confident71.2Confident17 Ų1779.7 Ų79.714%0.1442%0.424CS..EExtended strand (participates in β ladder)trans-112.1172174.500000111.8K596 F597 I599A589-K596 WeakPolarHBondContact O-CA 3.34Å; A589-F597 HydrophobicContact CB-CD1 4.01Å; A589-F597 HydrophobicContact CB-CD2 4.12Å; A589-F597 HydrophobicContact CB-CE1 3.55Å; A589-F597 HydrophobicContact CB-CE2 3.68Å; A589-F597 HydrophobicContact CB-CG 4.29Å; A589-F597 HydrophobicContact CB-CZ 3.37Å; A589-F597 PolarHBondContact N-O 3.21Å; A589-F597 PolarHBondContact O-N 2.95Å; A589-F597 VanDerWaalsContact O-O 3.09Å; A589-I599 HydrophobicContact CB-CD1 3.7Å; A589-I599 HydrophobicContact CB-CG1 4.09Å
590R80.8Confident72.7Confident159 Ų15974.8 Ų74.860%0.640%0.402SS*.EExtended strand (participates in β ladder)trans-138.4142178.2-66.7180-177.3-104.612111.7G594 R595R590-G594 PolarHBondContact NH1-O 3.24Å; R590-R595 VanDerWaalsContact CA-O 3.31Å; R590-R595 WeakPolarHBondContact CA-O 3.48Å
591T63.9Low73.2Confident39 Ų3972.8 Ų72.824%0.23939%0.392CS..  trans-70.9164.317156.90000111.9S593 G594 R595 F597 W608T591-S593 PolarHBondContact O-N 2.8Å; T591-S593 VanDerWaalsContact O-N 3.12Å; T591-S593 PolarHBondContact OG1-N 3.46Å; T591-S593 PolarHBondContact OG1-OG 3.38Å; T591-S593 VanDerWaalsContact OG1-OG 3.09Å; T591-G594 PolarHBondContact O-N 2.72Å; T591-G594 PolarHBondContact OG1-N 2.9Å; T591-R595 HydrophobicContact CG2-CB 4.4Å; T591-R595 PolarHBondContact N-O 3.22Å; T591-R595 WeakPolarHBondContact OG1-CB 3.31Å; T591-R595 PolarHBondContact OG1-N 2.81Å; T591-R595 PolarHBondContact OG1-O 3.24Å; T591-F597 HydrophobicContact CG2-CD1 4.18Å; T591-F597 HydrophobicContact CG2-CE1 4.4Å; T591-W608 HydrophobicContact CG2-CH2 3.62Å; T591-W608 HydrophobicContact CG2-CZ3 3.89Å
592A52.7Low73.2Confident123 Ų12373.5 Ų73.5100%1.01739%0.391SS*.THydrogen-bonded Turntrans-59.6-17167.700000113.7
593S50.9Low72.8Confident96 Ų9677.5 Ų77.567%0.67141%0.408SS*.THydrogen-bonded Turntrans-96.614.5171.658.30000113.7T591 R595T591-S593 PolarHBondContact O-N 2.8Å; T591-S593 VanDerWaalsContact O-N 3.12Å; T591-S593 PolarHBondContact OG1-N 3.46Å; T591-S593 PolarHBondContact OG1-OG 3.38Å; T591-S593 VanDerWaalsContact OG1-OG 3.09Å; S593-R595 VanDerWaalsContact C-N 3.26Å; S593-R595 PolarHBondContact O-N 2.73Å
594G56.6Low72.4Confident41 Ų4183 Ų8342%0.42343%0.43SS..  trans79.7-11.1172.100000116.3R590 T591 K596R590-G594 PolarHBondContact NH1-O 3.24Å; T591-G594 PolarHBondContact O-N 2.72Å; T591-G594 PolarHBondContact OG1-N 2.9Å; G594-K596 PolarHBondContact O-N 3.15Å
595R57.5Low71.9Confident177 Ų17777.5 Ų77.567%0.66841%0.408SS*.  trans-59.9129.1175.7-71.1-174.1170.9-175.2-3.3110.7R590 T591 S593 W608R590-R595 VanDerWaalsContact CA-O 3.31Å; R590-R595 WeakPolarHBondContact CA-O 3.48Å; T591-R595 HydrophobicContact CG2-CB 4.4Å; T591-R595 PolarHBondContact N-O 3.22Å; T591-R595 WeakPolarHBondContact OG1-CB 3.31Å; T591-R595 PolarHBondContact OG1-N 2.81Å; T591-R595 PolarHBondContact OG1-O 3.24Å; S593-R595 VanDerWaalsContact C-N 3.26Å; S593-R595 PolarHBondContact O-N 2.73Å; R595-W608 HydrophobicContact CB-CZ3 4.03Å
596K78Confident71.6Confident91 Ų9180.9 Ų80.940%0.39642%0.424SS..EExtended strand (participates in β ladder)trans-62.7143.8168.4-70.6-173.5174.6-172.80110.1L588 A589 G594L588-K596 HydrophobicContact CD1-CB 3.86Å; L588-K596 HydrophobicContact CD1-CD 3.92Å; L588-K596 HydrophobicContact CD1-CG 3.91Å; L588-K596 HydrophobicContact CD2-CD 4.4Å; A589-K596 WeakPolarHBondContact O-CA 3.34Å; G594-K596 PolarHBondContact O-N 3.15Å
597F81.1Confident70.9Confident42 Ų4279.8 Ų79.818%0.18442%0.424CS..EExtended strand (participates in β ladder)trans-147.4161.8163.571.9-85.9000109.3A589 T591 I599 T606 T607 W608A589-F597 HydrophobicContact CB-CD1 4.01Å; A589-F597 HydrophobicContact CB-CD2 4.12Å; A589-F597 HydrophobicContact CB-CE1 3.55Å; A589-F597 HydrophobicContact CB-CE2 3.68Å; A589-F597 HydrophobicContact CB-CG 4.29Å; A589-F597 HydrophobicContact CB-CZ 3.37Å; A589-F597 PolarHBondContact N-O 3.21Å; A589-F597 PolarHBondContact O-N 2.95Å; A589-F597 VanDerWaalsContact O-O 3.09Å; T591-F597 HydrophobicContact CG2-CD1 4.18Å; T591-F597 HydrophobicContact CG2-CE1 4.4Å; F597-I599 HydrophobicContact CD2-CG1 4.12Å; F597-I599 HydrophobicContact CE2-CD1 3.96Å; F597-I599 HydrophobicContact CE2-CG1 3.67Å; F597-I599 HydrophobicContact CZ-CD1 4.45Å; F597-T606 HydrophobicContact CE2-CG2 4.28Å; F597-T607 WeakPolarHBondContact CB-O 3.49Å; F597-W608 HydrophobicContact CB-CD2 4.36Å; F597-W608 HydrophobicContact CB-CE3 3.76Å; F597-W608 HydrophobicContact CB-CH2 4.45Å; F597-W608 HydrophobicContact CB-CZ3 3.82Å
598F85.2Confident70.8Confident7 Ų782.9 Ų82.93%0.03143%0.432CS..EExtended strand (participates in β ladder)trans-117.2135.9-174.4-55.5-93.2000110.3L582 W586 E587 L588 T606 T607 D609 D610L582-F598 HydrophobicContact CD1-CD1 4.23Å; L582-F598 HydrophobicContact CD2-CD1 3.95Å; L582-F598 HydrophobicContact CD2-CE1 4Å; W586-F598 HydrophobicContact CE3-CB 3.98Å; W586-F598 HydrophobicContact CZ3-CB 4.07Å; E587-F598 CarbonylContact O-C 3.57Å; E587-F598 WeakPolarHBondContact O-CA 3.48Å; L588-F598 HydrophobicContact CD1-CD1 4.06Å; L588-F598 HydrophobicContact CD1-CE1 3.68Å; L588-F598 HydrophobicContact CD1-CZ 3.99Å; F598-T606 CarbonylContact O-C 3.58Å; F598-T606 VanDerWaalsContact O-CA 3.27Å; F598-T606 WeakPolarHBondContact O-CA 3.24Å; F598-T607 HydrophobicContact CB-CG2 4.19Å; F598-T607 PolarHBondContact N-O 3.43Å; F598-T607 PolarHBondContact O-N 3.01Å; F598-D609 WeakPolarHBondContact CD2-O 3.36Å; F598-D610 HydrophobicContact CE1-CB 4.1Å; F598-D610 WeakPolarHBondContact CE1-OD2 3.48Å; F598-D610 VanDerWaalsContact CE2-CA 3.45Å; F598-D610 HydrophobicContact CE2-CB 3.71Å; F598-D610 HydrophobicContact CZ-CB 3.45Å; F598-D610 VanDerWaalsContact CZ-CB 3.45Å; F598-D610 VanDerWaalsContact CZ-CG 3.43Å; F598-D610 VanDerWaalsContact CZ-OD2 3.24Å; F598-D610 WeakPolarHBondContact CZ-OD2 3.31Å
599I79.8Confident70.4Confident36 Ų3684.8 Ų84.819%0.18544%0.442CS..EExtended strand (participates in β ladder)trans-109.8124.8179.8-53.6176.1000107.7W586 E587 A589 F597 T606W586-I599 CarbonylContact C-O 3.53Å; W586-I599 VanDerWaalsContact CA-O 3.27Å; W586-I599 WeakPolarHBondContact CA-O 3.33Å; E587-I599 HydrophobicContact CB-CB 4.33Å; E587-I599 PolarHBondContact N-O 3.14Å; E587-I599 PolarHBondContact O-N 3.29Å; A589-I599 HydrophobicContact CB-CD1 3.7Å; A589-I599 HydrophobicContact CB-CG1 4.09Å; F597-I599 HydrophobicContact CD2-CG1 4.12Å; F597-I599 HydrophobicContact CE2-CD1 3.96Å; F597-I599 HydrophobicContact CE2-CG1 3.67Å; F597-I599 HydrophobicContact CZ-CD1 4.45Å; I599-T606 HydrophobicContact CB-CG2 4.38Å; I599-T606 HydrophobicContact CG1-CG2 4.01Å; I599-T606 HydrophobicContact CG2-CG2 4.25Å
600N80.6Confident70.6Confident3 Ų385.5 Ų85.52%0.01644%0.444CS..EExtended strand (participates in β ladder)trans-100.595.8172.1-176.56000109.4W586 N602 E603 H604 T605W586-N600 HydrophobicContact CD2-CB 3.92Å; W586-N600 HydrophobicContact CE3-CB 4.1Å; W586-N600 HydrophobicContact CH2-CB 4Å; W586-N600 HydrophobicContact CZ2-CB 3.77Å; W586-N600 WeakPolarHBondContact CZ2-ND2 3.43Å; W586-N600 HydrophobicContact CZ3-CB 4.15Å; N600-N602 PolarHBondContact O-N 3.1Å; N600-N602 WeakPolarHBondContact OD1-CB 3.38Å; N600-N602 PolarHBondContact OD1-N 2.86Å; N600-N602 PolarHBondContact OD1-ND2 3.39Å; N600-E603 VanDerWaalsContact ND2-CG 3.33Å; N600-E603 WeakPolarHBondContact ND2-CG 3.49Å; N600-E603 PolarHBondContact ND2-OE1 3.48Å; N600-E603 PolarHBondContact ND2-OE2 3.47Å; N600-E603 PolarHBondContact O-N 3.01Å; N600-E603 VanDerWaalsContact O-N 3.16Å; N600-H604 WeakPolarHBondContact O-CA 3.38Å; N600-H604 PolarHBondContact O-N 2.81Å; N600-T605 PolarHBondContact N-O 2.99Å; N600-T605 PolarHBondContact O-N 2.93Å
601H68.6Low70Confident89 Ų8978.6 Ų78.641%0.41242%0.42SS..THydrogen-bonded Turntrans-63.9-18178.9-67.1-77000113.7G585 E587 H604G585-H601 WeakPolarHBondContact O-CB 3.46Å; G585-H601 PolarHBondContact O-CD2 3.46Å; G585-H601 PolarHBondContact O-N 2.79Å; E587-H601 IonicContact OE2-CD2 3.32Å; E587-H601 IonicContact OE2-CE1 3.24Å; E587-H601 PolarHBondContact OE2-CE1 3Å; E587-H601 IonicContact OE2-NE2 3.01Å; E587-H601 PolarHBondContact OE2-NE2 2.93Å; H601-H604 PolarHBondContact O-CE1 2.86Å
602N69.3Low70.5Confident107 Ų10779.3 Ų79.357%0.57242%0.418SS*.THydrogen-bonded Turntrans-75.9-27.9175.8-49-69.5000112.8Q584 N600Q584-N602 PolarHBondContact O-ND2 2.75Å; N600-N602 PolarHBondContact O-N 3.1Å; N600-N602 WeakPolarHBondContact OD1-CB 3.38Å; N600-N602 PolarHBondContact OD1-N 2.86Å; N600-N602 PolarHBondContact OD1-ND2 3.39Å
603E69.5Low71.1Confident128 Ų12878.2 Ų78.260%0.59840%0.399SS*.THydrogen-bonded Turntrans-112.5-7.6-177.7-70.3171.2-170.900112.6N600 T605N600-E603 VanDerWaalsContact ND2-CG 3.33Å; N600-E603 WeakPolarHBondContact ND2-CG 3.49Å; N600-E603 PolarHBondContact ND2-OE1 3.48Å; N600-E603 PolarHBondContact ND2-OE2 3.47Å; N600-E603 PolarHBondContact O-N 3.01Å; N600-E603 VanDerWaalsContact O-N 3.16Å; E603-T605 HydrophobicContact CB-CG2 3.97Å; E603-T605 WeakPolarHBondContact CB-OG1 3.43Å; E603-T605 PolarHBondContact O-N 3.26Å; E603-T605 PolarHBondContact OE2-OG1 3.35Å
604H67.8Low71.1Confident166 Ų16679.5 Ų79.577%0.76940%0.396SS*.THydrogen-bonded Turntrans54.830.6-168.2-55-58.2000113.8N600 H601N600-H604 WeakPolarHBondContact O-CA 3.38Å; N600-H604 PolarHBondContact O-N 2.81Å; H601-H604 PolarHBondContact O-CE1 2.86Å
605T65Low70.6Confident61 Ų6187.2 Ų87.237%0.37441%0.413SS..EExtended strand (participates in β ladder)trans-102.5162179.354.10000111.9N600 E603N600-T605 PolarHBondContact N-O 2.99Å; N600-T605 PolarHBondContact O-N 2.93Å; E603-T605 HydrophobicContact CB-CG2 3.97Å; E603-T605 WeakPolarHBondContact CB-OG1 3.43Å; E603-T605 PolarHBondContact O-N 3.26Å; E603-T605 PolarHBondContact OE2-OG1 3.35Å
606T71.2Confident69.6Low96 Ų9683.3 Ų83.359%0.58941%0.412SS*.EExtended strand (participates in β ladder)trans-131.1150.1169.564.20000110F597 F598 I599F597-T606 HydrophobicContact CE2-CG2 4.28Å; F598-T606 CarbonylContact O-C 3.58Å; F598-T606 VanDerWaalsContact O-CA 3.27Å; F598-T606 WeakPolarHBondContact O-CA 3.24Å; I599-T606 HydrophobicContact CB-CG2 4.38Å; I599-T606 HydrophobicContact CG1-CG2 4.01Å; I599-T606 HydrophobicContact CG2-CG2 4.25Å
607T70.4Confident67.6Low38 Ų3886 Ų8623%0.23343%0.431CS..EExtended strand (participates in β ladder)trans-146162177.9-177.60000111.2W586 F597 F598 D609W586-T607 HydrophobicContact CH2-CG2 4.22Å; W586-T607 HydrophobicContact CZ3-CG2 3.76Å; F597-T607 WeakPolarHBondContact CB-O 3.49Å; F598-T607 HydrophobicContact CB-CG2 4.19Å; F598-T607 PolarHBondContact N-O 3.43Å; F598-T607 PolarHBondContact O-N 3.01Å; T607-D609 WeakPolarHBondContact CG2-O 3.25Å; T607-D609 PolarHBondContact OG1-N 3.04Å; T607-D609 VanDerWaalsContact OG1-N 3.16Å; T607-D609 PolarHBondContact OG1-OD2 3.31Å
608W79Confident65.4Low156 Ų15691.3 Ų91.359%0.59146%0.461SS*.SBendtrans-87.8-17.4170.9-57.397.2000112.4T591 R595 F597T591-W608 HydrophobicContact CG2-CH2 3.62Å; T591-W608 HydrophobicContact CG2-CZ3 3.89Å; R595-W608 HydrophobicContact CB-CZ3 4.03Å; F597-W608 HydrophobicContact CB-CD2 4.36Å; F597-W608 HydrophobicContact CB-CE3 3.76Å; F597-W608 HydrophobicContact CB-CH2 4.45Å; F597-W608 HydrophobicContact CB-CZ3 3.82Å
609D75.9Confident62.8Low109 Ų10999.3 Ų99.358%0.58350%0.499SS*.SBendtrans-85.8136.1-174.8-50.4-58.6000112F598 T607F598-D609 WeakPolarHBondContact CD2-O 3.36Å; T607-D609 WeakPolarHBondContact CG2-O 3.25Å; T607-D609 PolarHBondContact OG1-N 3.04Å; T607-D609 VanDerWaalsContact OG1-N 3.16Å; T607-D609 PolarHBondContact OG1-OD2 3.31Å
610D78.7Confident60.5Low31 Ų31105.7 Ų105.717%0.16653%0.532CS..  trans-74.6121.6178.3-167.7-44.7000110.4F598 R612 V613F598-D610 HydrophobicContact CE1-CB 4.1Å; F598-D610 WeakPolarHBondContact CE1-OD2 3.48Å; F598-D610 VanDerWaalsContact CE2-CA 3.45Å; F598-D610 HydrophobicContact CE2-CB 3.71Å; F598-D610 HydrophobicContact CZ-CB 3.45Å; F598-D610 VanDerWaalsContact CZ-CB 3.45Å; F598-D610 VanDerWaalsContact CZ-CG 3.43Å; F598-D610 VanDerWaalsContact CZ-OD2 3.24Å; F598-D610 WeakPolarHBondContact CZ-OD2 3.31Å; D610-R612 PolarHBondContact O-N 2.89Å; D610-R612 VanDerWaalsContact OD1-CB 3.22Å; D610-R612 WeakPolarHBondContact OD1-CB 3.46Å; D610-R612 VanDerWaalsContact OD1-CG 3.3Å; D610-R612 WeakPolarHBondContact OD1-CG 3.4Å; D610-R612 IonicContact OD1-CZ 3.26Å; D610-R612 PolarHBondContact OD1-N 3.42Å; D610-R612 IonicContact OD1-NE 3.23Å; D610-R612 PolarHBondContact OD1-NE 2.95Å; D610-R612 IonicContact OD1-NH2 2.85Å; D610-R612 IonicContact OD2-CZ 3.65Å; D610-R612 IonicContact OD2-NE 2.73Å; D610-R612 PolarHBondContact OD2-NE 3.01Å; D610-R612 IonicContact OD2-NH2 3.65Å; D610-R612 PolarHBondContact OD2-NH2 2.97Å; D610-V613 HydrophobicContact CB-CG2 4.07Å; D610-V613 PolarHBondContact O-N 3.48Å; D610-V613 VanDerWaalsContact O-N 3.09Å
611P67.6Low58.4Low15 Ų15111 Ų11110%0.09756%0.559CS.*THydrogen-bonded Turntrans-62.4-16.6-176.928.7-38.9000113.5L582 P583 W586L582-P611 HydrophobicContact CD2-CG 3.62Å; P583-P611 HydrophobicContact CG-CB 4.29Å; P583-P611 HydrophobicContact CG-CG 4.37Å; W586-P611 HydrophobicContact CD2-CB 3.86Å; W586-P611 HydrophobicContact CD2-CG 3.74Å; W586-P611 HydrophobicContact CE3-CB 3.78Å; W586-P611 HydrophobicContact CE3-CG 3.5Å; W586-P611 VanDerWaalsContact CE3-CG 3.5Å; W586-P611 HydrophobicContact CG-CG 4.2Å; W586-P611 HydrophobicContact CH2-CB 3.94Å; W586-P611 HydrophobicContact CZ2-CB 4.03Å; W586-P611 HydrophobicContact CZ3-CB 3.8Å; W586-P611 HydrophobicContact CZ3-CG 3.92Å
612R76.1Confident56.5Low53 Ų53113.5 Ų113.520%0.258%0.575CS.*THydrogen-bonded Turntrans-72.3-31.9177.7-60.3173.4-70.7175.58.7111.9E579 E580 L582 D610 I614E579-R612 IonicContact OE2-CZ 2.99Å; E579-R612 VanDerWaalsContact OE2-CZ 3.26Å; E579-R612 IonicContact OE2-NH1 2.68Å; E579-R612 PolarHBondContact OE2-NH1 3.42Å; E579-R612 IonicContact OE2-NH2 2.71Å; E579-R612 PolarHBondContact OE2-NH2 2.93Å; E580-R612 WeakPolarHBondContact O-CD 3.3Å; E580-R612 PolarHBondContact O-NH1 3.36Å; L582-R612 HydrophobicContact CD2-CG 4.34Å; D610-R612 PolarHBondContact O-N 2.89Å; D610-R612 VanDerWaalsContact OD1-CB 3.22Å; D610-R612 WeakPolarHBondContact OD1-CB 3.46Å; D610-R612 VanDerWaalsContact OD1-CG 3.3Å; D610-R612 WeakPolarHBondContact OD1-CG 3.4Å; D610-R612 IonicContact OD1-CZ 3.26Å; D610-R612 PolarHBondContact OD1-N 3.42Å; D610-R612 IonicContact OD1-NE 3.23Å; D610-R612 PolarHBondContact OD1-NE 2.95Å; D610-R612 IonicContact OD1-NH2 2.85Å; D610-R612 IonicContact OD2-CZ 3.65Å; D610-R612 IonicContact OD2-NE 2.73Å; D610-R612 PolarHBondContact OD2-NE 3.01Å; D610-R612 IonicContact OD2-NH2 3.65Å; D610-R612 PolarHBondContact OD2-NH2 2.97Å; R612-I614 PolarHBondContact O-N 2.78Å
613V63.4Low54.8Low101 Ų101110.9 Ų110.961%0.61257%0.574SS**G310 helixtrans-72.2-28.8-175.2177.90000112.8D610 R615 S616D610-V613 HydrophobicContact CB-CG2 4.07Å; D610-V613 PolarHBondContact O-N 3.48Å; D610-V613 VanDerWaalsContact O-N 3.09Å; V613-R615 PolarHBondContact O-N 2.89Å; V613-R615 VanDerWaalsContact O-N 3.09Å; V613-S616 PolarHBondContact O-N 3.13Å
614I51.3Low53.4Low122 Ų122107.5 Ų107.563%0.62656%0.564SS**G310 helixtrans-64.7-19-174.7-60.2175.9000112.5R612R612-I614 PolarHBondContact O-N 2.78Å
615R45.6Very low51.9Low204 Ų204106 Ų10677%0.7756%0.561SS**G310 helixtrans-77.3-16.9179.3-72.2-174.9171.4-175.8-1.9114.6V613V613-R615 PolarHBondContact O-N 2.89Å; V613-R615 VanDerWaalsContact O-N 3.09Å
616S37.6Very low50.3Low94 Ų94104.4 Ų104.466%0.65755%0.55SS*.SBendtrans-84.6-17.2-163.9-56.40000116V613V613-S616 PolarHBondContact O-N 3.13Å
617N36.2Very low48.8Very low147 Ų147100.8 Ų100.879%0.78653%0.528SS*.SBendtrans-110.73.8-168.7-83.117.7000116.1Q619N617-Q619 PolarHBondContact O-N 3.11Å
618N33.8Very low47.3Very low154 Ų154104.2 Ų104.282%0.82454%0.541SS*.  trans-94.956.1-176.3-85.7-5.8000113.6
619Q31.4Very low45.2Very low176 Ų176101 Ų10182%0.82253%0.533SS*.  trans-131.4155165.4-66-171.6-200109.5N617N617-Q619 PolarHBondContact O-N 3.11Å
620I32Very low43.4Very low170 Ų17096.2 Ų96.287%0.87251%0.508SS*.  trans84.8152.3-169.5-50.1161.4000113.1
621I35.8Very low41.6Very low115 Ų115100.1 Ų100.159%0.5953%0.525SS*.  trans71.488-173-43.2-175.5000114.8
622N29.2Very low40.3Very low141 Ų141106 Ų10675%0.75455%0.545SS*.  trans-74.4134.3155.3-66.1-48.7000108.6Q278Q278-N622 PolarHBondContact OE1-ND2 2.78Å; Q278-N622 VanDerWaalsContact OE1-ND2 3.08Å
623G32.9Very low38.6Very low52 Ų52108.4 Ų108.454%0.53656%0.559SS.*  trans-147175.1-176.200000113.3
624S40.9Very low37.7Very low57 Ų57107.9 Ų107.940%0.39956%0.555SS.*  trans-63164.3-175.6-167.40000113.7L626 T627 H628 E1055S624-L626 PolarHBondContact O-N 2.73Å; S624-T627 WeakPolarHBondContact CA-OG1 3.28Å; S624-T627 WeakPolarHBondContact CB-OG1 3.41Å; S624-T627 PolarHBondContact N-OG1 3.35Å; S624-T627 WeakPolarHBondContact O-CB 3.49Å; S624-T627 PolarHBondContact O-N 2.98Å; S624-T627 PolarHBondContact O-OG1 3.13Å; S624-H628 PolarHBondContact O-N 3.23Å; S624-E1055 WeakPolarHBondContact CB-OE2 3.44Å
625L35.2Very low37.5Very low133 Ų133105.1 Ų105.170%0.69654%0.541SS*.Hα-helixtrans-60.4-34176-163.5141.1000111.2H628 E629L625-H628 PolarHBondContact O-N 3.46Å; L625-E629 HydrophobicContact CD2-CG 4.5Å; L625-E629 WeakPolarHBondContact O-CG 3.44Å; L625-E629 PolarHBondContact O-N 2.94Å; L625-E629 VanDerWaalsContact O-N 3.17Å
626L32.9Very low37.7Very low28 Ų28104.6 Ų104.615%0.14754%0.544CS..Hα-helixtrans-67.6-37.4173.5-71.2168.2000112.8S624 H628 E629 A630 R986 E1055S624-L626 PolarHBondContact O-N 2.73Å; L626-H628 VanDerWaalsContact C-N 3.27Å; L626-H628 PolarHBondContact O-N 2.94Å; L626-E629 PolarHBondContact O-N 2.61Å; L626-E629 VanDerWaalsContact O-N 3.14Å; L626-A630 WeakPolarHBondContact O-CB 3.45Å; L626-A630 PolarHBondContact O-N 3.45Å; L626-R986 VanDerWaalsContact CD1-CZ 3.48Å; L626-R986 VanDerWaalsContact CD1-NH2 3.33Å; L626-E1055 WeakPolarHBondContact CB-OE1 3.25Å
627T39.1Very low38.5Very low21 Ų21105.8 Ų105.813%0.12954%0.543CS..Hα-helixtrans-60.6-38.9175-23.90000110.9S624 Q631 I1051 E1055S624-T627 WeakPolarHBondContact CA-OG1 3.28Å; S624-T627 WeakPolarHBondContact CB-OG1 3.41Å; S624-T627 PolarHBondContact N-OG1 3.35Å; S624-T627 WeakPolarHBondContact O-CB 3.49Å; S624-T627 PolarHBondContact O-N 2.98Å; S624-T627 PolarHBondContact O-OG1 3.13Å; T627-Q631 VanDerWaalsContact O-CG 3.3Å; T627-Q631 WeakPolarHBondContact O-CG 3.38Å; T627-Q631 PolarHBondContact O-N 2.74Å; T627-I1051 HydrophobicContact CG2-CG2 4.21Å; T627-E1055 PolarHBondContact N-OE1 2.99Å; T627-E1055 PolarHBondContact OG1-OE1 3.04Å; T627-E1055 PolarHBondContact OG1-OE2 3.44Å
628H38.3Very low39.8Very low109 Ų109100.7 Ų100.751%0.50552%0.515SS..Hα-helixtrans-70-32.8173.6-99.6-25.3000114S624 L625 L626 Q631S624-H628 PolarHBondContact O-N 3.23Å; L625-H628 PolarHBondContact O-N 3.46Å; L626-H628 VanDerWaalsContact C-N 3.27Å; L626-H628 PolarHBondContact O-N 2.94Å; H628-Q631 PolarHBondContact ND1-OE1 3.18Å
629E35Very low41.3Very low90 Ų9095.2 Ų95.242%0.42150%0.495SS..Hα-helixtrans-76-36.6174.2-60.6-149.5123.400111.7L625 L626 Q631 R632L625-E629 HydrophobicContact CD2-CG 4.5Å; L625-E629 WeakPolarHBondContact O-CG 3.44Å; L625-E629 PolarHBondContact O-N 2.94Å; L625-E629 VanDerWaalsContact O-N 3.17Å; L626-E629 PolarHBondContact O-N 2.61Å; L626-E629 VanDerWaalsContact O-N 3.14Å; E629-Q631 VanDerWaalsContact C-N 3.28Å; E629-Q631 PolarHBondContact O-N 3.2Å; E629-R632 WeakPolarHBondContact O-CB 3.18Å; E629-R632 PolarHBondContact O-N 3.03Å; E629-R632 IonicContact OE1-CZ 3.53Å; E629-R632 IonicContact OE1-NH1 2.91Å; E629-R632 PolarHBondContact OE1-NH1 3.36Å
630A38.6Very low43.4Very low7 Ų792.6 Ų92.66%0.05849%0.494CS..Hα-helixtrans-62.1-33.1170.700000112.4L626 R632 H633 L983 R1047 I1051L626-A630 WeakPolarHBondContact O-CB 3.45Å; L626-A630 PolarHBondContact O-N 3.45Å; A630-R632 PolarHBondContact O-N 3.04Å; A630-H633 PolarHBondContact O-N 3.15Å; A630-L983 HydrophobicContact CB-CD1 4.08Å; A630-R1047 PolarHBondContact O-NH1 3.15Å; A630-R1047 PolarHBondContact O-NH2 3.49Å; A630-I1051 HydrophobicContact CB-CD1 3.87Å
631Q39.7Very low45.6Very low113 Ų11386.5 Ų86.553%0.52846%0.463SS..THydrogen-bonded Turntrans-64.8-18.5173.2-81.1170.9-5.300113.8T627 H628 E629T627-Q631 VanDerWaalsContact O-CG 3.3Å; T627-Q631 WeakPolarHBondContact O-CG 3.38Å; T627-Q631 PolarHBondContact O-N 2.74Å; H628-Q631 PolarHBondContact ND1-OE1 3.18Å; E629-Q631 VanDerWaalsContact C-N 3.28Å; E629-Q631 PolarHBondContact O-N 3.2Å
632R41Very low47.6Very low138 Ų13881.9 Ų81.952%0.52144%0.44SS..THydrogen-bonded Turntrans-71.7-28.5177-64.6-176.5-179136.95.5113.1E629 A630 V634E629-R632 WeakPolarHBondContact O-CB 3.18Å; E629-R632 PolarHBondContact O-N 3.03Å; E629-R632 IonicContact OE1-CZ 3.53Å; E629-R632 IonicContact OE1-NH1 2.91Å; E629-R632 PolarHBondContact OE1-NH1 3.36Å; A630-R632 PolarHBondContact O-N 3.04Å; R632-V634 PolarHBondContact O-N 3.01Å
633H41.4Very low50Low105 Ų10580.8 Ų80.849%0.48644%0.441SS..  trans-91.279.2176-83.1-56.4000111.9A630A630-H633 PolarHBondContact O-N 3.15Å
634V44.4Very low52.4Low89 Ų8979.7 Ų79.754%0.53943%0.429SS..  trans-85.4148163-177.30000108.7R632 K636 D637R632-V634 PolarHBondContact O-N 3.01Å; V634-K636 PolarHBondContact O-N 3.14Å; V634-D637 PolarHBondContact O-N 3.24Å
635M47.1Very low54.6Low64 Ų6479.2 Ų79.232%0.31542%0.419SS..G310 helixtrans-57.8-12.9-173.9-75.1179.4173.500116.3D637 L638 K974 F1043M635-D637 PolarHBondContact O-N 2.9Å; M635-L638 WeakPolarHBondContact O-CG 3.41Å; M635-L638 PolarHBondContact O-N 2.84Å; M635-K974 HydrophobicContact CE-CB 3.66Å; M635-K974 HydrophobicContact CE-CD 3.74Å; M635-K974 HydrophobicContact CE-CG 3.84Å; M635-F1043 HydrophobicContact CE-CD1 3.87Å; M635-F1043 HydrophobicContact CE-CD2 3.85Å; M635-F1043 HydrophobicContact CE-CE1 3.61Å; M635-F1043 HydrophobicContact CE-CE2 3.58Å; M635-F1043 HydrophobicContact CE-CG 4Å; M635-F1043 HydrophobicContact CE-CZ 3.45Å; M635-F1043 VanDerWaalsContact CE-CZ 3.45Å; M635-F1043 HydrophobicContact CG-CE1 4.31Å; M635-F1043 HydrophobicContact SD-CD1 4.39Å; M635-F1043 HydrophobicContact SD-CE1 4.23Å
636K49.4Very low57Low193 Ų19375.7 Ų75.784%0.83940%0.399SS*.G310 helixtrans-64.6-21.1-178.7-68.1-173174.4-173.70113.5V634 L638V634-K636 PolarHBondContact O-N 3.14Å; K636-L638 VanDerWaalsContact C-N 3.33Å; K636-L638 PolarHBondContact O-N 3.14Å
637D55.3Low59.4Low119 Ų11978.4 Ų78.464%0.63641%0.411SS*.G310 helixtrans-85.74.4-175.1-63.1-18.1000114.6V634 M635 G639V634-D637 PolarHBondContact O-N 3.24Å; M635-D637 PolarHBondContact O-N 2.9Å; D637-G639 PolarHBondContact O-N 2.82Å; D637-G639 VanDerWaalsContact O-N 3.15Å
638L61.7Low61.4Low40 Ų4083.2 Ų83.221%0.20943%0.427CS..G310 helixtrans-67.9-10.1-177.7-69.5174.4000114.7M635 K636 R671 L672 L675M635-L638 WeakPolarHBondContact O-CG 3.41Å; M635-L638 PolarHBondContact O-N 2.84Å; K636-L638 VanDerWaalsContact C-N 3.33Å; K636-L638 PolarHBondContact O-N 3.14Å; L638-R671 HydrophobicContact CB-CB 3.99Å; L638-R671 HydrophobicContact CD2-CB 4.44Å; L638-R671 WeakPolarHBondContact O-CD 3.17Å; L638-L672 HydrophobicContact CD1-CD2 3.94Å; L638-L672 HydrophobicContact CD1-CG 4.43Å; L638-L672 HydrophobicContact CD2-CD2 3.99Å; L638-L675 HydrophobicContact CD2-CD1 3.66Å
639G65.2Low63.2Low39 Ų3982.8 Ų82.840%0.40243%0.432SS..  trans74.9-172.2-178.800000114.2D637 R671D637-G639 PolarHBondContact O-N 2.82Å; D637-G639 VanDerWaalsContact O-N 3.15Å; G639-R671 WeakPolarHBondContact O-CD 3.25Å; G639-R671 PolarHBondContact O-NH1 3.27Å
640P76.6Confident65.1Low122 Ų12282.3 Ų82.379%0.79243%0.429SS*.SBendtrans-67.8151.6178.229.5-35.1000111.5
641L78.6Confident66.3Low41 Ų4187.6 Ų87.622%0.21547%0.466CS..PPolyproline II helixtrans-60.3148.4171.4-76.5167.9000111W645 E647 Y657 P670 R671L641-W645 HydrophobicContact CB-CB 4.2Å; L641-E647 HydrophobicContact CD1-CB 3.97Å; L641-Y657 HydrophobicContact CD1-CD1 4.36Å; L641-Y657 HydrophobicContact CD1-CE1 4.42Å; L641-Y657 HydrophobicContact CD2-CD1 3.89Å; L641-Y657 HydrophobicContact CD2-CE1 3.91Å; L641-P670 HydrophobicContact CD2-CG 3.66Å; L641-R671 HydrophobicContact CD2-CG 4.26Å
642P78.2Confident67.5Low18 Ų1886.6 Ų86.612%0.11746%0.464CS..PPolyproline II helixtrans-62.8152.9176.6-17.730.9000111.6G644 W645 P670P642-G644 PolarHBondContact O-N 3.01Å; P642-W645 WeakPolarHBondContact O-CB 3.21Å; P642-W645 PolarHBondContact O-N 2.97Å; P642-P670 HydrophobicContact CG-CB 4.23Å; P642-P670 HydrophobicContact CG-CG 4.27Å
643P78.9Confident68.2Low118 Ų11882.6 Ų82.677%0.76647%0.466SS*.THydrogen-bonded Turntrans-53.3131.7179.8-28.436.1000113.2N661P643-N661 PolarHBondContact O-ND2 3.19Å
644G83.3Confident69Low29 Ų2982.6 Ų82.630%0.29946%0.461SS..THydrogen-bonded Turntrans82.29.6-176.500000115.2P642 H660P642-G644 PolarHBondContact O-N 3.01Å; G644-H660 WeakPolarHBondContact O-CB 3.26Å; G644-H660 PolarHBondContact O-N 3.01Å
645W87.8Confident70.2Confident47 Ų4781.9 Ų81.918%0.17845%0.454CS..EExtended strand (participates in β ladder)trans-104.3138170.1-67.378.2000112.1L641 P642 I658 N659 Q666 P670L641-W645 HydrophobicContact CB-CB 4.2Å; P642-W645 WeakPolarHBondContact O-CB 3.21Å; P642-W645 PolarHBondContact O-N 2.97Å; W645-I658 CarbonylContact C-O 3.46Å; W645-I658 VanDerWaalsContact CA-O 3.3Å; W645-I658 WeakPolarHBondContact CA-O 3.38Å; W645-N659 HydrophobicContact CD2-CB 3.9Å; W645-N659 HydrophobicContact CE3-CB 3.79Å; W645-N659 HydrophobicContact CH2-CB 3.81Å; W645-N659 HydrophobicContact CZ2-CB 3.89Å; W645-N659 WeakPolarHBondContact CZ2-ND2 3.22Å; W645-N659 HydrophobicContact CZ3-CB 3.75Å; W645-Q666 HydrophobicContact CH2-CG 4.39Å; W645-Q666 HydrophobicContact CZ3-CG 3.9Å; W645-P670 HydrophobicContact CB-CG 4.35Å; W645-P670 HydrophobicContact CD2-CB 3.81Å; W645-P670 HydrophobicContact CD2-CG 3.59Å; W645-P670 HydrophobicContact CE3-CB 3.9Å; W645-P670 HydrophobicContact CE3-CG 3.57Å; W645-P670 HydrophobicContact CG-CB 4.46Å; W645-P670 HydrophobicContact CG-CG 3.97Å; W645-P670 HydrophobicContact CH2-CB 3.8Å; W645-P670 HydrophobicContact CH2-CG 4.39Å; W645-P670 HydrophobicContact CZ2-CB 3.72Å; W645-P670 HydrophobicContact CZ2-CG 4.43Å; W645-P670 HydrophobicContact CZ3-CB 3.89Å; W645-P670 HydrophobicContact CZ3-CG 3.98Å
646E84.4Confident71.7Confident59 Ų5980.5 Ų80.528%0.27645%0.446SS..EExtended strand (participates in β ladder)trans-125.5139.3177179.2-174.9-178.300110.1R648 Y657 I658 H660E646-R648 VanDerWaalsContact CD-NH2 3.27Å; E646-R648 HydrophobicContact CG-CG 4.27Å; E646-R648 IonicContact OE1-CZ 2.69Å; E646-R648 IonicContact OE1-NE 3.81Å; E646-R648 PolarHBondContact OE1-NE 3.47Å; E646-R648 IonicContact OE1-NH2 2.98Å; E646-R648 PolarHBondContact OE1-NH2 3.39Å; E646-R648 IonicContact OE2-CZ 3.06Å; E646-R648 IonicContact OE2-NE 2.7Å; E646-R648 IonicContact OE2-NH2 3.36Å; E646-R648 PolarHBondContact OE2-NH2 2.87Å; E646-Y657 CarbonylContact O-C 3.57Å; E646-Y657 WeakPolarHBondContact O-CA 3.45Å; E646-I658 HydrophobicContact CB-CB 4.34Å; E646-I658 PolarHBondContact N-O 2.85Å; E646-I658 PolarHBondContact O-N 2.9Å; E646-H660 WeakPolarHBondContact CB-NE2 3.4Å; E646-H660 IonicContact OE2-CE1 3.29Å; E646-H660 PolarHBondContact OE2-CE1 3Å; E646-H660 VanDerWaalsContact OE2-CE1 3.29Å; E646-H660 IonicContact OE2-NE2 3.07Å; E646-H660 PolarHBondContact OE2-NE2 2.75Å
647E84.2Confident73.4Confident86 Ų8672.3 Ų72.340%0.40241%0.41SS..EExtended strand (participates in β ladder)trans-94.5133.5172.9-166.1175.3112.900110L641 I655 Y657 R671L641-E647 HydrophobicContact CD1-CB 3.97Å; E647-I655 HydrophobicContact CG-CG2 3.37Å; E647-Y657 HydrophobicContact CB-CD1 4.22Å; E647-Y657 HydrophobicContact CB-CE1 4.01Å; E647-Y657 HydrophobicContact CG-CD1 4.17Å; E647-Y657 HydrophobicContact CG-CE1 3.61Å; E647-Y657 WeakPolarHBondContact OE2-CE1 3.36Å; E647-Y657 PolarHBondContact OE2-OH 2.89Å; E647-R671 IonicContact OE2-NH2 3.92Å; E647-R671 PolarHBondContact OE2-NH2 3.48Å
648R80.9Confident74.8Confident122 Ų12267.8 Ų67.846%0.4639%0.385SS..EExtended strand (participates in β ladder)trans-137.5158173.5-72-155.3-174.8157.211.2112.3E646 I655 F656 I658E646-R648 VanDerWaalsContact CD-NH2 3.27Å; E646-R648 HydrophobicContact CG-CG 4.27Å; E646-R648 IonicContact OE1-CZ 2.69Å; E646-R648 IonicContact OE1-NE 3.81Å; E646-R648 PolarHBondContact OE1-NE 3.47Å; E646-R648 IonicContact OE1-NH2 2.98Å; E646-R648 PolarHBondContact OE1-NH2 3.39Å; E646-R648 IonicContact OE2-CZ 3.06Å; E646-R648 IonicContact OE2-NE 2.7Å; E646-R648 IonicContact OE2-NH2 3.36Å; E646-R648 PolarHBondContact OE2-NH2 2.87Å; R648-I655 CarbonylContact O-C 3.55Å; R648-I655 WeakPolarHBondContact O-CA 3.19Å; R648-F656 HydrophobicContact CB-CD1 4.12Å; R648-F656 HydrophobicContact CB-CE1 3.54Å; R648-F656 HydrophobicContact CB-CE2 4.21Å; R648-F656 HydrophobicContact CB-CZ 3.6Å; R648-F656 PolarHBondContact N-O 2.83Å; R648-F656 VanDerWaalsContact O-CD1 3.25Å; R648-F656 WeakPolarHBondContact O-CD1 3.41Å; R648-F656 PolarHBondContact O-N 3.49Å; R648-I658 HydrophobicContact CB-CD1 4.48Å; R648-I658 HydrophobicContact CG-CD1 3.94Å
649V75.4Confident75.9Confident100 Ų10066.9 Ų66.961%0.60638%0.381SS*.EExtended strand (participates in β ladder)trans-101.7126.3175.6-173.40000109.2I655V649-I655 HydrophobicContact CG2-CG1 4.4Å
650H75.5Confident76.7Confident80 Ų8069.7 Ų69.737%0.3738%0.383SS..  trans-78.2163.6174.2-175.5-102.2000110.8N652 G653 R654 F656 W667H650-N652 VanDerWaalsContact ND1-CG 3.35Å; H650-N652 PolarHBondContact ND1-OD1 2.95Å; H650-N652 PolarHBondContact O-N 2.78Å; H650-G653 PolarHBondContact O-N 2.79Å; H650-R654 WeakPolarHBondContact CB-O 3.27Å; H650-R654 PolarHBondContact N-O 2.98Å; H650-F656 HydrophobicContact CB-CD1 3.9Å; H650-F656 HydrophobicContact CB-CE1 4.07Å; H650-W667 HydrophobicContact CB-CH2 3.98Å; H650-W667 HydrophobicContact CB-CZ3 4.04Å; H650-W667 AromaticContact CG-CH2 3.85Å
651S62.7Low76.7Confident117 Ų11769.4 Ų69.482%0.81838%0.375SS*.THydrogen-bonded Turntrans-60.5-16.7-174.356.50000115.4
652N65.6Low76.8Confident92 Ų9270.1 Ų70.149%0.49239%0.387SS..THydrogen-bonded Turntrans-97.415.6174.266.6-6.4000113.6H650 R654H650-N652 VanDerWaalsContact ND1-CG 3.35Å; H650-N652 PolarHBondContact ND1-OD1 2.95Å; H650-N652 PolarHBondContact O-N 2.78Å; N652-R654 VanDerWaalsContact C-N 3.26Å; N652-R654 PolarHBondContact O-N 3.36Å; N652-R654 PolarHBondContact OD1-N 2.89Å
653G56Low76.9Confident54 Ų5480.2 Ų80.256%0.55742%0.423SS*.SBendtrans78.5-5.6178.800000115.6H650H650-G653 PolarHBondContact O-N 2.79Å
654R57.1Low76.8Confident106 Ų10677.8 Ų77.840%0.441%0.406SS..  trans-73.3135.5175.9-69.9-167.3-172.4172.58.3111.4H650 N652 W667H650-R654 WeakPolarHBondContact CB-O 3.27Å; H650-R654 PolarHBondContact N-O 2.98Å; N652-R654 VanDerWaalsContact C-N 3.26Å; N652-R654 PolarHBondContact O-N 3.36Å; N652-R654 PolarHBondContact OD1-N 2.89Å; R654-W667 HydrophobicContact CB-CE3 4.19Å; R654-W667 HydrophobicContact CB-CZ3 3.71Å
655I70.6Confident76.9Confident74 Ų7481.1 Ų81.138%0.37942%0.42SS..EExtended strand (participates in β ladder)trans-72.8139.8169.2-64.5170.4000109.8E647 R648 V649 Y657E647-I655 HydrophobicContact CG-CG2 3.37Å; R648-I655 CarbonylContact O-C 3.55Å; R648-I655 WeakPolarHBondContact O-CA 3.19Å; V649-I655 HydrophobicContact CG2-CG1 4.4Å; I655-Y657 HydrophobicContact CG2-CE1 4.36Å; I655-Y657 HydrophobicContact CG2-CE2 3.88Å
656F78.1Confident76.4Confident35 Ų3581 Ų8115%0.15442%0.422CS..EExtended strand (participates in β ladder)trans-137.1158.7169.872.7-80.6000110.4R648 H650 I658 T665 Q666 W667R648-F656 HydrophobicContact CB-CD1 4.12Å; R648-F656 HydrophobicContact CB-CE1 3.54Å; R648-F656 HydrophobicContact CB-CE2 4.21Å; R648-F656 HydrophobicContact CB-CZ 3.6Å; R648-F656 PolarHBondContact N-O 2.83Å; R648-F656 VanDerWaalsContact O-CD1 3.25Å; R648-F656 WeakPolarHBondContact O-CD1 3.41Å; R648-F656 PolarHBondContact O-N 3.49Å; H650-F656 HydrophobicContact CB-CD1 3.9Å; H650-F656 HydrophobicContact CB-CE1 4.07Å; F656-I658 HydrophobicContact CD2-CG1 4.09Å; F656-I658 HydrophobicContact CE2-CD1 3.88Å; F656-I658 HydrophobicContact CE2-CG1 3.68Å; F656-I658 HydrophobicContact CZ-CD1 4.4Å; F656-T665 HydrophobicContact CD2-CG2 4.44Å; F656-T665 HydrophobicContact CE2-CG2 4.29Å; F656-Q666 WeakPolarHBondContact CA-O 3.38Å; F656-W667 HydrophobicContact CB-CD2 4.29Å; F656-W667 HydrophobicContact CB-CE3 3.74Å; F656-W667 HydrophobicContact CB-CZ3 3.87Å
657Y86.2Confident76Confident21 Ų2182.4 Ų82.48%0.08243%0.425CS..EExtended strand (participates in β ladder)trans-116.7131.3-174.3-61.1-86.5000110.4L641 E646 E647 I655 T665 Q666 E668 D669L641-Y657 HydrophobicContact CD1-CD1 4.36Å; L641-Y657 HydrophobicContact CD1-CE1 4.42Å; L641-Y657 HydrophobicContact CD2-CD1 3.89Å; L641-Y657 HydrophobicContact CD2-CE1 3.91Å; E646-Y657 CarbonylContact O-C 3.57Å; E646-Y657 WeakPolarHBondContact O-CA 3.45Å; E647-Y657 HydrophobicContact CB-CD1 4.22Å; E647-Y657 HydrophobicContact CB-CE1 4.01Å; E647-Y657 HydrophobicContact CG-CD1 4.17Å; E647-Y657 HydrophobicContact CG-CE1 3.61Å; E647-Y657 WeakPolarHBondContact OE2-CE1 3.36Å; E647-Y657 PolarHBondContact OE2-OH 2.89Å; I655-Y657 HydrophobicContact CG2-CE1 4.36Å; I655-Y657 HydrophobicContact CG2-CE2 3.88Å; Y657-T665 CarbonylContact O-C 3.52Å; Y657-T665 VanDerWaalsContact O-CA 3.3Å; Y657-T665 WeakPolarHBondContact O-CA 3.04Å; Y657-Q666 PolarHBondContact N-O 2.68Å; Y657-Q666 PolarHBondContact O-N 2.89Å; Y657-E668 VanDerWaalsContact CD2-C 3.48Å; Y657-E668 VanDerWaalsContact CD2-O 3.27Å; Y657-E668 WeakPolarHBondContact CD2-O 3.23Å; Y657-D669 HydrophobicContact CD2-CB 4.38Å; Y657-D669 HydrophobicContact CE1-CB 4.25Å; Y657-D669 VanDerWaalsContact CE2-CA 3.49Å; Y657-D669 HydrophobicContact CE2-CB 3.71Å
658I84.3Confident75.3Confident23 Ų2380.4 Ų80.412%0.11842%0.416CS..EExtended strand (participates in β ladder)trans-105119.2179.2-50.9-179.2000108.1W645 E646 R648 F656 T665W645-I658 CarbonylContact C-O 3.46Å; W645-I658 VanDerWaalsContact CA-O 3.3Å; W645-I658 WeakPolarHBondContact CA-O 3.38Å; E646-I658 HydrophobicContact CB-CB 4.34Å; E646-I658 PolarHBondContact N-O 2.85Å; E646-I658 PolarHBondContact O-N 2.9Å; R648-I658 HydrophobicContact CB-CD1 4.48Å; R648-I658 HydrophobicContact CG-CD1 3.94Å; F656-I658 HydrophobicContact CD2-CG1 4.09Å; F656-I658 HydrophobicContact CE2-CD1 3.88Å; F656-I658 HydrophobicContact CE2-CG1 3.68Å; F656-I658 HydrophobicContact CZ-CD1 4.4Å; I658-T665 HydrophobicContact CB-CG2 4.44Å; I658-T665 HydrophobicContact CG1-CG2 4.05Å; I658-T665 HydrophobicContact CG2-CG2 4.27Å
659N84.6Confident75.2Confident21 Ų2175 Ų7511%0.11240%0.396CS..EExtended strand (participates in β ladder)trans-93.997171.7-177.5-14.7000108.8W645 N661 A662 R663 T664W645-N659 HydrophobicContact CD2-CB 3.9Å; W645-N659 HydrophobicContact CE3-CB 3.79Å; W645-N659 HydrophobicContact CH2-CB 3.81Å; W645-N659 HydrophobicContact CZ2-CB 3.89Å; W645-N659 WeakPolarHBondContact CZ2-ND2 3.22Å; W645-N659 HydrophobicContact CZ3-CB 3.75Å; N659-N661 PolarHBondContact O-N 2.98Å; N659-N661 WeakPolarHBondContact OD1-CB 3.35Å; N659-N661 PolarHBondContact OD1-N 2.84Å; N659-N661 VanDerWaalsContact OD1-N 3.09Å; N659-A662 HydrophobicContact CB-CB 4.27Å; N659-A662 WeakPolarHBondContact ND2-CB 3.5Å; N659-A662 PolarHBondContact O-N 2.87Å; N659-A662 PolarHBondContact OD1-N 2.94Å; N659-R663 VanDerWaalsContact O-CA 3.28Å; N659-R663 WeakPolarHBondContact O-CA 3.45Å; N659-R663 PolarHBondContact O-N 3.07Å; N659-T664 PolarHBondContact N-O 2.83Å; N659-T664 PolarHBondContact O-N 3.2Å
660H81.5Confident75.2Confident98 Ų9870.6 Ų70.645%0.45437%0.369SS..THydrogen-bonded Turntrans-63.3-27179-69.5-81000113G644 E646G644-H660 WeakPolarHBondContact O-CB 3.26Å; G644-H660 PolarHBondContact O-N 3.01Å; E646-H660 WeakPolarHBondContact CB-NE2 3.4Å; E646-H660 IonicContact OE2-CE1 3.29Å; E646-H660 PolarHBondContact OE2-CE1 3Å; E646-H660 VanDerWaalsContact OE2-CE1 3.29Å; E646-H660 IonicContact OE2-NE2 3.07Å; E646-H660 PolarHBondContact OE2-NE2 2.75Å
661N77.2Confident75.2Confident116 Ų11669 Ų6962%0.6236%0.36SS*.THydrogen-bonded Turntrans-70.4-44177.9-47.7-50.3000111.2P643 N659P643-N661 PolarHBondContact O-ND2 3.19Å; N659-N661 PolarHBondContact O-N 2.98Å; N659-N661 WeakPolarHBondContact OD1-CB 3.35Å; N659-N661 PolarHBondContact OD1-N 2.84Å; N659-N661 VanDerWaalsContact OD1-N 3.09Å
662A80.8Confident75.5Confident57 Ų5763.8 Ų63.847%0.47132%0.323SS..THydrogen-bonded Turntrans-89.7-12.2178.800000113.8N659 T664N659-A662 HydrophobicContact CB-CB 4.27Å; N659-A662 WeakPolarHBondContact ND2-CB 3.5Å; N659-A662 PolarHBondContact O-N 2.87Å; N659-A662 PolarHBondContact OD1-N 2.94Å; A662-T664 HydrophobicContact CB-CG2 4.19Å; A662-T664 PolarHBondContact O-N 2.68Å
663R79.5Confident75.3Confident230 Ų23064.7 Ų64.787%0.86832%0.324SS*.THydrogen-bonded Turntrans57.231.7-169.9-55-178.8179.7178.50.3113.7N659N659-R663 VanDerWaalsContact O-CA 3.28Å; N659-R663 WeakPolarHBondContact O-CA 3.45Å; N659-R663 PolarHBondContact O-N 3.07Å
664T78Confident75.5Confident67 Ų6771.5 Ų71.541%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-110162.5179.456.40000112.1N659 A662N659-T664 PolarHBondContact N-O 2.83Å; N659-T664 PolarHBondContact O-N 3.2Å; A662-T664 HydrophobicContact CB-CG2 4.19Å; A662-T664 PolarHBondContact O-N 2.68Å
665T83.9Confident75.4Confident98 Ų9870.1 Ų70.160%0.60133%0.333SS*.EExtended strand (participates in β ladder)trans-129.2137.6172.959.10000110.3F656 Y657 I658F656-T665 HydrophobicContact CD2-CG2 4.44Å; F656-T665 HydrophobicContact CE2-CG2 4.29Å; Y657-T665 CarbonylContact O-C 3.52Å; Y657-T665 VanDerWaalsContact O-CA 3.3Å; Y657-T665 WeakPolarHBondContact O-CA 3.04Å; I658-T665 HydrophobicContact CB-CG2 4.44Å; I658-T665 HydrophobicContact CG1-CG2 4.05Å; I658-T665 HydrophobicContact CG2-CG2 4.27Å
666Q78.6Confident74.2Confident46 Ų4666.7 Ų66.722%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-139165.5179.463.7-174.756.100111.6W645 F656 Y657 E668W645-Q666 HydrophobicContact CH2-CG 4.39Å; W645-Q666 HydrophobicContact CZ3-CG 3.9Å; F656-Q666 WeakPolarHBondContact CA-O 3.38Å; Y657-Q666 PolarHBondContact N-O 2.68Å; Y657-Q666 PolarHBondContact O-N 2.89Å; Q666-E668 WeakPolarHBondContact CG-O 3.18Å; Q666-E668 PolarHBondContact NE2-O 3.19Å
667W75.4Confident72.6Confident88 Ų8866.6 Ų66.633%0.33333%0.325SS..SBendtrans-94.7-16.9-179.5-60.796.3000112.5H650 R654 F656H650-W667 HydrophobicContact CB-CH2 3.98Å; H650-W667 HydrophobicContact CB-CZ3 4.04Å; H650-W667 AromaticContact CG-CH2 3.85Å; R654-W667 HydrophobicContact CB-CE3 4.19Å; R654-W667 HydrophobicContact CB-CZ3 3.71Å; F656-W667 HydrophobicContact CB-CD2 4.29Å; F656-W667 HydrophobicContact CB-CE3 3.74Å; F656-W667 HydrophobicContact CB-CZ3 3.87Å
668E69.9Low70.5Confident44 Ų4471.5 Ų71.521%0.20636%0.359CS..SBendtrans-89138.9178.7-60.597.4131.300113Y657 Q666 K953Y657-E668 VanDerWaalsContact CD2-C 3.48Å; Y657-E668 VanDerWaalsContact CD2-O 3.27Å; Y657-E668 WeakPolarHBondContact CD2-O 3.23Å; Q666-E668 WeakPolarHBondContact CG-O 3.18Å; Q666-E668 PolarHBondContact NE2-O 3.19Å; E668-K953 IonicContact OE1-NZ 2.8Å; E668-K953 PolarHBondContact OE1-NZ 2.83Å
669D77.4Confident68.6Low9 Ų973.5 Ų73.55%0.04838%0.379CS..  trans-71.4122.2176.7-176.3-23.4000110.7Y657 R671 L672Y657-D669 HydrophobicContact CD2-CB 4.38Å; Y657-D669 HydrophobicContact CE1-CB 4.25Å; Y657-D669 VanDerWaalsContact CE2-CA 3.49Å; Y657-D669 HydrophobicContact CE2-CB 3.71Å; D669-R671 VanDerWaalsContact CG-NE 3.29Å; D669-R671 PolarHBondContact O-N 3.44Å; D669-R671 VanDerWaalsContact O-N 3.07Å; D669-R671 WeakPolarHBondContact OD1-CB 3.25Å; D669-R671 VanDerWaalsContact OD1-CG 3.29Å; D669-R671 WeakPolarHBondContact OD1-CG 3.15Å; D669-R671 IonicContact OD1-CZ 3.25Å; D669-R671 PolarHBondContact OD1-N 3.4Å; D669-R671 IonicContact OD1-NE 3.63Å; D669-R671 PolarHBondContact OD1-NE 3.07Å; D669-R671 IonicContact OD1-NH2 2.85Å; D669-R671 IonicContact OD2-CZ 2.69Å; D669-R671 IonicContact OD2-NE 3.69Å; D669-R671 PolarHBondContact OD2-NE 3.45Å; D669-R671 IonicContact OD2-NH2 3.57Å; D669-R671 PolarHBondContact OD2-NH2 2.92Å; D669-L672 HydrophobicContact CB-CD1 3.94Å; D669-L672 HydrophobicContact CB-CG 4.07Å; D669-L672 WeakPolarHBondContact O-CB 3.2Å; D669-L672 PolarHBondContact O-N 2.85Å
670P77.5Confident66.5Low7 Ų776.3 Ų76.35%0.04540%0.397CS..Hα-helixtrans-63-14.5-179.330.6-40.8000113.9L641 P642 W645 L672L641-P670 HydrophobicContact CD2-CG 3.66Å; P642-P670 HydrophobicContact CG-CB 4.23Å; P642-P670 HydrophobicContact CG-CG 4.27Å; W645-P670 HydrophobicContact CB-CG 4.35Å; W645-P670 HydrophobicContact CD2-CB 3.81Å; W645-P670 HydrophobicContact CD2-CG 3.59Å; W645-P670 HydrophobicContact CE3-CB 3.9Å; W645-P670 HydrophobicContact CE3-CG 3.57Å; W645-P670 HydrophobicContact CG-CB 4.46Å; W645-P670 HydrophobicContact CG-CG 3.97Å; W645-P670 HydrophobicContact CH2-CB 3.8Å; W645-P670 HydrophobicContact CH2-CG 4.39Å; W645-P670 HydrophobicContact CZ2-CB 3.72Å; W645-P670 HydrophobicContact CZ2-CG 4.43Å; W645-P670 HydrophobicContact CZ3-CB 3.89Å; W645-P670 HydrophobicContact CZ3-CG 3.98Å; P670-L672 VanDerWaalsContact C-N 3.31Å
671R75.5Confident64.6Low45 Ų4577.8 Ų77.817%0.1742%0.415CS..Hα-helixtrans-70.9-27.5174-61.6170.1-72.7-158.3-7.6111.9L638 G639 L641 E647 D669L638-R671 HydrophobicContact CB-CB 3.99Å; L638-R671 HydrophobicContact CD2-CB 4.44Å; L638-R671 WeakPolarHBondContact O-CD 3.17Å; G639-R671 WeakPolarHBondContact O-CD 3.25Å; G639-R671 PolarHBondContact O-NH1 3.27Å; L641-R671 HydrophobicContact CD2-CG 4.26Å; E647-R671 IonicContact OE2-NH2 3.92Å; E647-R671 PolarHBondContact OE2-NH2 3.48Å; D669-R671 VanDerWaalsContact CG-NE 3.29Å; D669-R671 PolarHBondContact O-N 3.44Å; D669-R671 VanDerWaalsContact O-N 3.07Å; D669-R671 WeakPolarHBondContact OD1-CB 3.25Å; D669-R671 VanDerWaalsContact OD1-CG 3.29Å; D669-R671 WeakPolarHBondContact OD1-CG 3.15Å; D669-R671 IonicContact OD1-CZ 3.25Å; D669-R671 PolarHBondContact OD1-N 3.4Å; D669-R671 IonicContact OD1-NE 3.63Å; D669-R671 PolarHBondContact OD1-NE 3.07Å; D669-R671 IonicContact OD1-NH2 2.85Å; D669-R671 IonicContact OD2-CZ 2.69Å; D669-R671 IonicContact OD2-NE 3.69Å; D669-R671 PolarHBondContact OD2-NE 3.45Å; D669-R671 IonicContact OD2-NH2 3.57Å; D669-R671 PolarHBondContact OD2-NH2 2.92Å
672L68.7Low63.2Low9 Ų976 Ų765%0.04740%0.401CS..Hα-helixtrans-70.9-35.8-177.6-65.7170.8000113L638 D669 P670 R674 L675 K974 Y977L638-L672 HydrophobicContact CD1-CD2 3.94Å; L638-L672 HydrophobicContact CD1-CG 4.43Å; L638-L672 HydrophobicContact CD2-CD2 3.99Å; D669-L672 HydrophobicContact CB-CD1 3.94Å; D669-L672 HydrophobicContact CB-CG 4.07Å; D669-L672 WeakPolarHBondContact O-CB 3.2Å; D669-L672 PolarHBondContact O-N 2.85Å; P670-L672 VanDerWaalsContact C-N 3.31Å; L672-R674 PolarHBondContact O-N 2.69Å; L672-L675 HydrophobicContact CD2-CD1 4.37Å; L672-L675 WeakPolarHBondContact O-CB 3.34Å; L672-L675 PolarHBondContact O-N 3.12Å; L672-K974 HydrophobicContact CD1-CG 3.85Å; L672-Y977 HydrophobicContact CB-CD2 4.08Å; L672-Y977 HydrophobicContact CB-CG 4.21Å; L672-Y977 VanDerWaalsContact O-CD1 3.29Å; L672-Y977 WeakPolarHBondContact O-CD1 3.37Å
673E61.4Low61.7Low110 Ų11076.1 Ų76.151%0.51440%0.397SS..Hα-helixtrans-58.8-33.6180-64.7-179.4179.700112.1L675 G676E673-L675 PolarHBondContact O-N 3.4Å; E673-G676 PolarHBondContact O-N 3.07Å
674R59.4Low60.1Low198 Ų19876.5 Ų76.575%0.74740%0.399SS*.THydrogen-bonded Turntrans-65.6-20.6175.7-66.3-177.6169.7-169.5-5113.6L672L672-R674 PolarHBondContact O-N 2.69Å
675L55.2Low59.6Low77 Ų7777.6 Ų77.640%0.40340%0.402SS..THydrogen-bonded Turntrans-87-9.5173.6-58.2176.5000113.3L638 L672 E673 Y977 R984L638-L675 HydrophobicContact CD2-CD1 3.66Å; L672-L675 HydrophobicContact CD2-CD1 4.37Å; L672-L675 WeakPolarHBondContact O-CB 3.34Å; L672-L675 PolarHBondContact O-N 3.12Å; E673-L675 PolarHBondContact O-N 3.4Å; L675-Y977 HydrophobicContact CB-CD1 4.36Å; L675-R984 PolarHBondContact O-NH2 3.18Å
676G45.3Very low58.5Low2 Ų273.3 Ų73.32%0.02138%0.375CS..SBendtrans-75.8-26.3-177.900000114.5E673 S948 V949E673-G676 PolarHBondContact O-N 3.07Å; G676-S948 WeakPolarHBondContact O-CA 3.45Å; G676-V949 PolarHBondContact O-N 2.78Å
677G44Very low58Low33 Ų3375.7 Ų75.734%0.3439%0.385SS..  trans72.8139.4-170.200000112.4S948G677-S948 PolarHBondContact O-OG 3.31Å; G677-S948 VanDerWaalsContact O-OG 3.05Å
678P43.5Very low58.1Low123 Ų12377.7 Ų77.780%0.79940%0.398SS*.PPolyproline II helixtrans-62.1139.7169.928.9-33.9000109.4V680P678-V680 PolarHBondContact O-N 2.86Å
679A43.7Very low58.6Low65 Ų6578.3 Ų78.354%0.53740%0.4SS..PPolyproline II helixtrans-60131.3171.100000109.2P681A679-P681 WeakPolarHBondContact O-CD 3.18Å
680V40.6Very low58.7Low81 Ų8179.6 Ų79.649%0.49140%0.404SS..PPolyproline II helixtrans-66.9123.9-175.2-179.60000109.2P678 Y682P678-V680 PolarHBondContact O-N 2.86Å; V680-Y682 HydrophobicContact CB-CD2 4.41Å; V680-Y682 HydrophobicContact CB-CE2 3.63Å; V680-Y682 HydrophobicContact CG1-CE1 3.89Å; V680-Y682 HydrophobicContact CG1-CE2 3.88Å; V680-Y682 VanDerWaalsContact CG1-CZ 3.48Å; V680-Y682 WeakPolarHBondContact CG1-OH 3.37Å; V680-Y682 WeakPolarHBondContact O-CD2 3.1Å; V680-Y682 WeakPolarHBondContact O-CE2 3.43Å; V680-Y682 PolarHBondContact O-N 3.35Å
681P40.5Very low59Low128 Ų12882.9 Ų82.983%0.83142%0.422SS*.  trans-77.594.6-174.529.7-34.4000111.1A679A679-P681 WeakPolarHBondContact O-CD 3.18Å
682Y48.6Very low59.6Low80 Ų8087.4 Ų87.431%0.31444%0.44SS..  trans-77163.8178.4-70.2-66.4000114V680 R684 L939 L944 M999V680-Y682 HydrophobicContact CB-CD2 4.41Å; V680-Y682 HydrophobicContact CB-CE2 3.63Å; V680-Y682 HydrophobicContact CG1-CE1 3.89Å; V680-Y682 HydrophobicContact CG1-CE2 3.88Å; V680-Y682 VanDerWaalsContact CG1-CZ 3.48Å; V680-Y682 WeakPolarHBondContact CG1-OH 3.37Å; V680-Y682 WeakPolarHBondContact O-CD2 3.1Å; V680-Y682 WeakPolarHBondContact O-CE2 3.43Å; V680-Y682 PolarHBondContact O-N 3.35Å; Y682-R684 PolarHBondContact O-N 2.82Å; Y682-L939 HydrophobicContact CD1-CD1 4.01Å; Y682-L939 HydrophobicContact CE1-CD1 3.43Å; Y682-L939 VanDerWaalsContact CE1-CD1 3.43Å; Y682-L944 HydrophobicContact CD2-CD2 4.49Å; Y682-L944 HydrophobicContact CE2-CD2 3.39Å; Y682-L944 VanDerWaalsContact CZ-CD2 3.43Å; Y682-L944 WeakPolarHBondContact OH-CD2 3.35Å; Y682-M999 HydrophobicContact CD1-CG 3.96Å; Y682-M999 HydrophobicContact CD1-SD 3.75Å; Y682-M999 HydrophobicContact CD2-CG 3.9Å; Y682-M999 HydrophobicContact CD2-SD 4.37Å; Y682-M999 HydrophobicContact CE1-CG 4.22Å; Y682-M999 HydrophobicContact CE1-SD 4.48Å; Y682-M999 HydrophobicContact CE2-CG 4.16Å; Y682-M999 HydrophobicContact CG-CG 3.83Å; Y682-M999 HydrophobicContact CG-SD 3.71Å
683S48.6Very low60.7Low58 Ų5887.1 Ų87.141%0.40644%0.438SS..  trans-50.9118173.7174.50000110.6N685 Y686S683-N685 PolarHBondContact O-N 2.85Å; S683-Y686 PolarHBondContact O-N 2.58Å
684R46.8Very low61.9Low239 Ų23986.4 Ų86.490%0.90243%0.431SS*.THydrogen-bonded Turntrans-52-20.5177-72.9-175.2174.8-177.3-2.1113.5Y682Y682-R684 PolarHBondContact O-N 2.82Å
685N66.3Low63.3Low90 Ų9081.2 Ų81.248%0.48142%0.424SS..THydrogen-bonded Turntrans-102.8-2.9-175.5-58.712.9000112.9S683 K687 Q688 K689S683-N685 PolarHBondContact O-N 2.85Å; N685-K687 PolarHBondContact O-N 1.88Å; N685-Q688 PolarHBondContact O-N 2.9Å; N685-K689 PolarHBondContact O-N 3.24Å
686Y62Low64.9Low8 Ų882.7 Ų82.73%0.03143%0.425CS..Hα-helixtrans-61.4-44.4-176.8175.2-100.5000112.4S683 Q688 K689 Y690 F932 E936 M999S683-Y686 PolarHBondContact O-N 2.58Å; Y686-Q688 VanDerWaalsContact C-N 3.3Å; Y686-Q688 PolarHBondContact O-N 2.69Å; Y686-K689 CarbonylContact O-C 3.55Å; Y686-K689 WeakPolarHBondContact O-CA 3.34Å; Y686-K689 WeakPolarHBondContact O-CB 3.34Å; Y686-K689 PolarHBondContact O-N 2.96Å; Y686-Y690 PolarHBondContact O-N 2.73Å; Y686-F932 HydrophobicContact CD2-CD1 4.07Å; Y686-F932 AromaticContact CD2-CE1 3.94Å; Y686-F932 HydrophobicContact CD2-CE1 3.94Å; Y686-F932 AromaticContact CE2-CD1 3.71Å; Y686-F932 HydrophobicContact CE2-CD1 3.71Å; Y686-F932 AromaticContact CE2-CE1 3.44Å; Y686-F932 HydrophobicContact CE2-CE1 3.44Å; Y686-F932 VanDerWaalsContact CE2-CE1 3.44Å; Y686-F932 HydrophobicContact CE2-CZ 4.45Å; Y686-E936 HydrophobicContact CD2-CB 4.03Å; Y686-E936 HydrophobicContact CD2-CG 3.98Å; Y686-E936 HydrophobicContact CE2-CB 4.1Å; Y686-M999 HydrophobicContact CD1-CB 4.19Å; Y686-M999 HydrophobicContact CD1-CE 3.59Å; Y686-M999 HydrophobicContact CD1-CG 4.36Å; Y686-M999 HydrophobicContact CD1-SD 3.31Å; Y686-M999 WeakPolarHBondContact CD1-SD 3.32Å; Y686-M999 HydrophobicContact CD2-CE 3.33Å; Y686-M999 HydrophobicContact CD2-SD 4.02Å; Y686-M999 HydrophobicContact CE1-CB 3.86Å; Y686-M999 HydrophobicContact CE1-CE 3.64Å; Y686-M999 HydrophobicContact CE1-CG 4.42Å; Y686-M999 HydrophobicContact CE1-SD 3.79Å; Y686-M999 HydrophobicContact CE2-CE 3.36Å; Y686-M999 HydrophobicContact CE2-SD 4.41Å; Y686-M999 HydrophobicContact CG-CE 3.43Å; Y686-M999 VanDerWaalsContact CG-CE 3.43Å; Y686-M999 HydrophobicContact CG-SD 3.43Å
687K67.9Low67Low96 Ų9684 Ų8442%0.41743%0.431SS..Hα-helixtrans-54.6-46.7175.4179.1166.5-175.3155.80112N685 K689 Y690 D691 E1004N685-K687 PolarHBondContact O-N 1.88Å; K687-K689 VanDerWaalsContact C-N 3.31Å; K687-K689 PolarHBondContact O-N 3.01Å; K687-Y690 WeakPolarHBondContact O-CB 3.49Å; K687-Y690 PolarHBondContact O-N 2.99Å; K687-Y690 VanDerWaalsContact O-N 3.1Å; K687-D691 WeakPolarHBondContact CG-OD2 3.42Å; K687-D691 VanDerWaalsContact O-CG 3.31Å; K687-D691 PolarHBondContact O-N 3.38Å; K687-E1004 VanDerWaalsContact CD-OE1 3.3Å; K687-E1004 WeakPolarHBondContact CD-OE1 3.25Å; K687-E1004 VanDerWaalsContact CE-OE1 3.23Å; K687-E1004 WeakPolarHBondContact CE-OE1 3.24Å; K687-E1004 IonicContact NZ-OE1 2.79Å; K687-E1004 PolarHBondContact NZ-OE1 3.44Å
688Q77.6Confident69Low130 Ų13088.4 Ų88.461%0.60744%0.437SS*.Hα-helixtrans-61.7-37.5176.6-60.1176.41.300112.3N685 Y686 Y692N685-Q688 PolarHBondContact O-N 2.9Å; Y686-Q688 VanDerWaalsContact C-N 3.3Å; Y686-Q688 PolarHBondContact O-N 2.69Å; Q688-Y692 WeakPolarHBondContact O-CB 3.13Å; Q688-Y692 PolarHBondContact O-N 2.84Å
689K79.6Confident70.8Confident57 Ų5786 Ų8625%0.24843%0.428CS..Hα-helixtrans-64.3-46.1171.5-68.8174.4173.5-177.70111.5N685 Y686 K687 Y692 F693 I931 F932 E936N685-K689 PolarHBondContact O-N 3.24Å; Y686-K689 CarbonylContact O-C 3.55Å; Y686-K689 WeakPolarHBondContact O-CA 3.34Å; Y686-K689 WeakPolarHBondContact O-CB 3.34Å; Y686-K689 PolarHBondContact O-N 2.96Å; K687-K689 VanDerWaalsContact C-N 3.31Å; K687-K689 PolarHBondContact O-N 3.01Å; K689-Y692 PolarHBondContact O-N 3.18Å; K689-F693 WeakPolarHBondContact O-CB 3.37Å; K689-F693 PolarHBondContact O-N 3.2Å; K689-I931 HydrophobicContact CB-CD1 3.87Å; K689-I931 HydrophobicContact CB-CG1 4.34Å; K689-I931 WeakPolarHBondContact CD-O 3.3Å; K689-I931 WeakPolarHBondContact CE-O 3.47Å; K689-I931 HydrophobicContact CG-CD1 4.46Å; K689-I931 PolarHBondContact NZ-O 2.81Å; K689-I931 VanDerWaalsContact NZ-O 3.12Å; K689-I931 WeakPolarHBondContact O-CD1 3.22Å; K689-F932 HydrophobicContact CB-CD1 4.14Å; K689-F932 HydrophobicContact CB-CE1 3.63Å; K689-F932 HydrophobicContact CB-CZ 4.4Å; K689-F932 HydrophobicContact CD-CD1 4.2Å; K689-E936 IonicContact NZ-OE1 2.74Å; K689-E936 PolarHBondContact NZ-OE1 2.76Å; K689-E936 IonicContact NZ-OE2 3.61Å; K689-E936 PolarHBondContact NZ-OE2 2.68Å
690Y80.6Confident72.6Confident36 Ų3684.8 Ų84.814%0.14142%0.415CS..Hα-helixtrans-62.1-47.9179.7179.4-93.6000112.1Y686 K687 Y692 F693 R694 L940Y686-Y690 PolarHBondContact O-N 2.73Å; K687-Y690 WeakPolarHBondContact O-CB 3.49Å; K687-Y690 PolarHBondContact O-N 2.99Å; K687-Y690 VanDerWaalsContact O-N 3.1Å; Y690-Y692 VanDerWaalsContact C-N 3.32Å; Y690-Y692 PolarHBondContact O-N 3.05Å; Y690-F693 WeakPolarHBondContact O-CB 3.29Å; Y690-F693 PolarHBondContact O-N 3.36Å; Y690-R694 WeakPolarHBondContact O-CB 3.22Å; Y690-R694 PolarHBondContact O-N 3Å; Y690-R694 PolarHBondContact OH-NH1 3.06Å; Y690-L940 HydrophobicContact CD2-CD1 3.72Å; Y690-L940 HydrophobicContact CE2-CD1 3.72Å
691D83Confident74.5Confident76 Ų7689.6 Ų89.641%0.40642%0.424SS..Hα-helixtrans-63.9-38.8177.5-64-30000110.9K687 S695K687-D691 WeakPolarHBondContact CG-OD2 3.42Å; K687-D691 VanDerWaalsContact O-CG 3.31Å; K687-D691 PolarHBondContact O-N 3.38Å; D691-S695 WeakPolarHBondContact O-CB 3.45Å; D691-S695 PolarHBondContact O-N 2.69Å; D691-S695 PolarHBondContact O-OG 3.42Å
692Y88.7Confident76.5Confident140 Ų14087.1 Ų87.155%0.54940%0.404SS..Hα-helixtrans-66.5-40.2173-178.8-131.1000113.1Q688 K689 Y690 S695 R696 I931Q688-Y692 WeakPolarHBondContact O-CB 3.13Å; Q688-Y692 PolarHBondContact O-N 2.84Å; K689-Y692 PolarHBondContact O-N 3.18Å; Y690-Y692 VanDerWaalsContact C-N 3.32Å; Y690-Y692 PolarHBondContact O-N 3.05Å; Y692-S695 WeakPolarHBondContact CA-OG 3.09Å; Y692-S695 PolarHBondContact O-OG 2.89Å; Y692-R696 HydrophobicContact CD2-CG 4.45Å; Y692-R696 HydrophobicContact CE2-CG 4.15Å; Y692-R696 VanDerWaalsContact CZ-CD 3.45Å; Y692-R696 PolarHBondContact O-N 3.04Å; Y692-R696 PolarHBondContact O-NE 3.03Å; Y692-R696 PolarHBondContact O-NH1 2.91Å; Y692-R696 PolarHBondContact OH-NH2 2.86Å; Y692-I931 HydrophobicContact CD1-CD1 3.95Å; Y692-I931 HydrophobicContact CD1-CG2 3.97Å; Y692-I931 HydrophobicContact CE1-CG2 4.06Å
693F90.4Very high77.9Confident2 Ų288.4 Ų88.41%0.00942%0.422CS..Hα-helixtrans-62.2-52.4173.7168.6-106.5000110.9K689 Y690 S695 R696 L697 V810 I924 A928 L929 I931 F932 L940K689-F693 WeakPolarHBondContact O-CB 3.37Å; K689-F693 PolarHBondContact O-N 3.2Å; Y690-F693 WeakPolarHBondContact O-CB 3.29Å; Y690-F693 PolarHBondContact O-N 3.36Å; F693-S695 VanDerWaalsContact C-N 3.35Å; F693-S695 PolarHBondContact O-N 2.86Å; F693-R696 CarbonylContact O-C 3.57Å; F693-R696 WeakPolarHBondContact O-CA 3.18Å; F693-R696 PolarHBondContact O-N 2.86Å; F693-L697 HydrophobicContact CD1-CD1 4.46Å; F693-L697 HydrophobicContact CD2-CD2 4.42Å; F693-L697 HydrophobicContact CE1-CD1 3.9Å; F693-L697 HydrophobicContact CE1-CD2 4.31Å; F693-L697 HydrophobicContact CE1-CG 4.33Å; F693-L697 HydrophobicContact CE2-CD2 3.89Å; F693-L697 HydrophobicContact CZ-CD1 4.15Å; F693-L697 HydrophobicContact CZ-CD2 3.82Å; F693-L697 HydrophobicContact CZ-CG 4.34Å; F693-L697 PolarHBondContact O-N 3.34Å; F693-L697 VanDerWaalsContact O-N 3.15Å; F693-V810 HydrophobicContact CE1-CG1 3.68Å; F693-V810 HydrophobicContact CZ-CG1 3.58Å; F693-I924 HydrophobicContact CE2-CG2 3.88Å; F693-I924 HydrophobicContact CZ-CD1 4.22Å; F693-I924 HydrophobicContact CZ-CG2 3.82Å; F693-A928 HydrophobicContact CD2-CB 3.95Å; F693-A928 HydrophobicContact CE2-CB 3.87Å; F693-L929 HydrophobicContact CE2-CD2 3.94Å; F693-L929 HydrophobicContact CZ-CD2 4.25Å; F693-I931 HydrophobicContact CB-CD1 3.89Å; F693-F932 HydrophobicContact CB-CE2 3.93Å; F693-F932 HydrophobicContact CB-CZ 3.76Å; F693-F932 HydrophobicContact CD1-CE2 4.27Å; F693-F932 HydrophobicContact CD1-CZ 4.34Å; F693-F932 AromaticContact CD2-CE2 3.88Å; F693-F932 HydrophobicContact CD2-CE2 3.88Å; F693-F932 HydrophobicContact CE2-CE2 4.44Å; F693-F932 AromaticContact CG-CE2 3.79Å; F693-F932 HydrophobicContact CG-CE2 3.79Å; F693-F932 AromaticContact CG-CZ 4Å; F693-F932 HydrophobicContact CG-CZ 4Å; F693-L940 HydrophobicContact CE1-CD1 4.37Å; F693-L940 HydrophobicContact CE1-CD2 4.21Å; F693-L940 HydrophobicContact CZ-CD2 4.36Å
694R88.3Confident79.5Confident96 Ų9693.9 Ų93.936%0.36244%0.441SS..Hα-helixtrans-62.9-38.4-177.2-168.7169.5-177.9154.8-4.2112.5Y690 R696 L697Y690-R694 WeakPolarHBondContact O-CB 3.22Å; Y690-R694 PolarHBondContact O-N 3Å; Y690-R694 PolarHBondContact OH-NH1 3.06Å; R694-R696 PolarHBondContact O-N 3.28Å; R694-L697 PolarHBondContact O-N 2.82Å
695S88.3Confident81.5Confident88 Ų8883.2 Ų83.262%0.61540%0.404SS*.THydrogen-bonded Turntrans-69.8-12.117353.60000114.6D691 Y692 F693D691-S695 WeakPolarHBondContact O-CB 3.45Å; D691-S695 PolarHBondContact O-N 2.69Å; D691-S695 PolarHBondContact O-OG 3.42Å; Y692-S695 WeakPolarHBondContact CA-OG 3.09Å; Y692-S695 PolarHBondContact O-OG 2.89Å; F693-S695 VanDerWaalsContact C-N 3.35Å; F693-S695 PolarHBondContact O-N 2.86Å
696R87.8Confident82.6Confident108 Ų10884.1 Ų84.141%0.40840%0.404SS..THydrogen-bonded Turntrans-105.93.6173.3-81.3169-80.7-178.3-79.5113.7Y692 F693 R694Y692-R696 HydrophobicContact CD2-CG 4.45Å; Y692-R696 HydrophobicContact CE2-CG 4.15Å; Y692-R696 VanDerWaalsContact CZ-CD 3.45Å; Y692-R696 PolarHBondContact O-N 3.04Å; Y692-R696 PolarHBondContact O-NE 3.03Å; Y692-R696 PolarHBondContact O-NH1 2.91Å; Y692-R696 PolarHBondContact OH-NH2 2.86Å; F693-R696 CarbonylContact O-C 3.57Å; F693-R696 WeakPolarHBondContact O-CA 3.18Å; F693-R696 PolarHBondContact O-N 2.86Å; R694-R696 PolarHBondContact O-N 3.28Å
697L89.3Confident83.9Confident30 Ų3084.8 Ų84.816%0.15741%0.407CS..SBendtrans-77.4140.6167-63.4-173000110.5F693 R694 A699 Y811 I924F693-L697 HydrophobicContact CD1-CD1 4.46Å; F693-L697 HydrophobicContact CD2-CD2 4.42Å; F693-L697 HydrophobicContact CE1-CD1 3.9Å; F693-L697 HydrophobicContact CE1-CD2 4.31Å; F693-L697 HydrophobicContact CE1-CG 4.33Å; F693-L697 HydrophobicContact CE2-CD2 3.89Å; F693-L697 HydrophobicContact CZ-CD1 4.15Å; F693-L697 HydrophobicContact CZ-CD2 3.82Å; F693-L697 HydrophobicContact CZ-CG 4.34Å; F693-L697 PolarHBondContact O-N 3.34Å; F693-L697 VanDerWaalsContact O-N 3.15Å; R694-L697 PolarHBondContact O-N 2.82Å; L697-A699 PolarHBondContact O-N 3.39Å; L697-Y811 HydrophobicContact CB-CE2 4.42Å; L697-Y811 HydrophobicContact CD1-CD2 4.23Å; L697-I924 HydrophobicContact CD1-CD1 3.89Å; L697-I924 HydrophobicContact CD2-CD1 3.62Å; L697-I924 HydrophobicContact CG-CD1 4.42Å
698R86.1Confident85Confident125 Ų12584.4 Ų84.447%0.47241%0.407SS..PPolyproline II helixtrans-69.2118.7178.1-175.6-173-177.1-167-0.3109.9E731 Y811R698-E731 IonicContact CZ-OE1 3.36Å; R698-E731 IonicContact NH1-OE1 3.2Å; R698-E731 PolarHBondContact NH1-OE1 2.95Å; R698-E731 IonicContact NH2-OE1 3.24Å; R698-E731 PolarHBondContact NH2-OE1 3.5Å; R698-Y811 WeakPolarHBondContact O-CE2 3.33Å; R698-Y811 PolarHBondContact O-OH 2.78Å
699A83Confident85.6Confident73 Ų7378.2 Ų78.260%0.60338%0.378SS*.PPolyproline II helixtrans-60.3149.517100000111.8L697L697-A699 PolarHBondContact O-N 3.39Å
700P81.2Confident86.1Confident39 Ų3981.6 Ų81.625%0.25339%0.389SS..PPolyproline II helixtrans-62.1145.4175.428.4-35.1000110.3D702 M734 Y811P700-D702 PolarHBondContact O-N 2.87Å; P700-M734 HydrophobicContact CB-CB 4.47Å; P700-Y811 WeakPolarHBondContact CD-OH 3.39Å
701R79.7Confident86.7Confident182 Ų18279.9 Ų79.969%0.68738%0.382SS*.SBendtrans-63.3-30.2-178.4-59.5-175.5-173.1-141.18.6112.5E731R701-E731 IonicContact CZ-OE1 3.35Å; R701-E731 IonicContact NE-OE1 3.21Å; R701-E731 PolarHBondContact NE-OE1 3.24Å; R701-E731 IonicContact NH2-OE1 3.27Å; R701-E731 PolarHBondContact NH2-OE1 3.41Å; R701-E731 IonicContact NH2-OE2 3.46Å
702D83.6Confident87.1Confident76 Ų7678.7 Ų78.741%0.40638%0.378SS..  trans-127.7111173.9176.6-6.5000107.6P700 Q704 A705P700-D702 PolarHBondContact O-N 2.87Å; D702-Q704 VanDerWaalsContact C-N 3.26Å; D702-Q704 PolarHBondContact O-N 3.09Å; D702-Q704 WeakPolarHBondContact OD1-CA 3.33Å; D702-Q704 WeakPolarHBondContact OD1-CB 3.14Å; D702-Q704 PolarHBondContact OD1-N 3Å; D702-A705 HydrophobicContact CB-CB 3.83Å; D702-A705 PolarHBondContact O-N 3.06Å; D702-A705 PolarHBondContact OD1-N 3.11Å; D702-A705 VanDerWaalsContact OD1-N 3.16Å
703P78Confident87Confident107 Ų10775.2 Ų75.270%0.69536%0.364SS*.SBendtrans-69.9-16177.4-21.934.7000115.1
704Q81.9Confident86.9Confident173 Ų17379.7 Ų79.781%0.80840%0.401SS*.SBendtrans-92-21.2178-61.5-170.5-3.400112.4D702 K706D702-Q704 VanDerWaalsContact C-N 3.26Å; D702-Q704 PolarHBondContact O-N 3.09Å; D702-Q704 WeakPolarHBondContact OD1-CA 3.33Å; D702-Q704 WeakPolarHBondContact OD1-CB 3.14Å; D702-Q704 PolarHBondContact OD1-N 3Å; Q704-K706 PolarHBondContact O-N 2.73Å
705A88.6Confident86.8Confident16 Ų1676.1 Ų76.113%0.13239%0.394CS..  trans-57.1137.4177.300000112.1D702 H735 R736D702-A705 HydrophobicContact CB-CB 3.83Å; D702-A705 PolarHBondContact O-N 3.06Å; D702-A705 PolarHBondContact OD1-N 3.11Å; D702-A705 VanDerWaalsContact OD1-N 3.16Å; A705-H735 HydrophobicContact CB-CB 4.28Å; A705-H735 WeakPolarHBondContact CB-ND1 3.46Å; A705-H735 WeakPolarHBondContact O-CB 3.46Å; A705-R736 PolarHBondContact O-N 2.79Å
706K88.3Confident87Confident109 Ų10972.2 Ų72.247%0.47437%0.366SS..EExtended strand (participates in β ladder)trans-105.1156175.2-60-178.6-177.3-1760110.5Q704 R736 W738Q704-K706 PolarHBondContact O-N 2.73Å; K706-R736 CarbonylContact C-O 3.57Å; K706-R736 VanDerWaalsContact CA-O 3.25Å; K706-R736 WeakPolarHBondContact CA-O 3.27Å; K706-W738 HydrophobicContact CD-CD2 4.2Å; K706-W738 HydrophobicContact CD-CE3 3.71Å; K706-W738 HydrophobicContact CD-CZ3 4.26Å
707F90.5Very high87.2Confident21 Ų2167.2 Ų67.29%0.09235%0.347CS..EExtended strand (participates in β ladder)trans-120.8112163.2176.3-124.2000109L709 I724 I727 V732 L733 H735 R736 L737 W738 M808F707-L709 HydrophobicContact CD1-CD1 4.29Å; F707-L709 HydrophobicContact CD1-CG 4.18Å; F707-L709 HydrophobicContact CE1-CD1 3.75Å; F707-L709 HydrophobicContact CE1-CD2 3.65Å; F707-L709 HydrophobicContact CE1-CG 3.62Å; F707-L709 HydrophobicContact CE2-CD2 4.44Å; F707-L709 HydrophobicContact CZ-CD1 4.49Å; F707-L709 HydrophobicContact CZ-CD2 3.53Å; F707-L709 HydrophobicContact CZ-CG 3.96Å; F707-I724 HydrophobicContact CE1-CG1 4.26Å; F707-I724 HydrophobicContact CZ-CG1 4.37Å; F707-I727 HydrophobicContact CD2-CD1 4.47Å; F707-I727 HydrophobicContact CE1-CD1 4.34Å; F707-I727 HydrophobicContact CE2-CD1 3.46Å; F707-I727 VanDerWaalsContact CE2-CD1 3.46Å; F707-I727 HydrophobicContact CZ-CD1 3.38Å; F707-V732 HydrophobicContact CD2-CG1 3.82Å; F707-V732 HydrophobicContact CE2-CG1 4.43Å; F707-V732 HydrophobicContact CG-CG1 4.39Å; F707-L733 HydrophobicContact CD1-CD2 3.93Å; F707-L733 HydrophobicContact CE1-CD2 3.4Å; F707-L733 VanDerWaalsContact CE1-CD2 3.4Å; F707-L733 HydrophobicContact CZ-CD2 3.76Å; F707-H735 HydrophobicContact CB-CB 4.12Å; F707-R736 PolarHBondContact N-O 3.04Å; F707-L737 HydrophobicContact CB-CD2 4.48Å; F707-L737 HydrophobicContact CD1-CD2 3.89Å; F707-W738 PolarHBondContact O-N 2.74Å; F707-M808 HydrophobicContact CE1-CE 4.35Å
708E90.3Very high87.3Confident89 Ų8968.5 Ų68.542%0.41635%0.352SS..EExtended strand (participates in β ladder)trans-95.3126.1-171.4-16517612800111.2R710 W738E708-R710 IonicContact OE1-CZ 3.14Å; E708-R710 IonicContact OE1-NE 3.17Å; E708-R710 PolarHBondContact OE1-NE 3Å; E708-R710 IonicContact OE1-NH2 3.82Å; E708-R710 PolarHBondContact OE1-NH2 3.42Å; E708-W738 CarbonylContact C-O 3.56Å; E708-W738 WeakPolarHBondContact CA-O 3.45Å
709L90.2Very high87.6Confident0 Ų063.4 Ų63.40%033%0.334CS..EExtended strand (participates in β ladder)trans-124.5104.9178.7-72.8173.5000108.9F707 L723 I724 W738 I739 E740 W756F707-L709 HydrophobicContact CD1-CD1 4.29Å; F707-L709 HydrophobicContact CD1-CG 4.18Å; F707-L709 HydrophobicContact CE1-CD1 3.75Å; F707-L709 HydrophobicContact CE1-CD2 3.65Å; F707-L709 HydrophobicContact CE1-CG 3.62Å; F707-L709 HydrophobicContact CE2-CD2 4.44Å; F707-L709 HydrophobicContact CZ-CD1 4.49Å; F707-L709 HydrophobicContact CZ-CD2 3.53Å; F707-L709 HydrophobicContact CZ-CG 3.96Å; L709-L723 HydrophobicContact CD2-CB 3.54Å; L709-L723 HydrophobicContact CD2-CD1 3.65Å; L709-L723 HydrophobicContact CD2-CG 4.19Å; L709-I724 HydrophobicContact CD1-CD1 4.08Å; L709-I724 HydrophobicContact CD2-CD1 4.49Å; L709-I724 HydrophobicContact CD2-CG1 4.13Å; L709-W738 PolarHBondContact N-O 2.93Å; L709-I739 HydrophobicContact CB-CD1 3.84Å; L709-I739 HydrophobicContact CD1-CD1 3.64Å; L709-I739 HydrophobicContact CG-CD1 4.27Å; L709-I739 WeakPolarHBondContact O-CA 3.45Å; L709-E740 PolarHBondContact O-N 3.2Å; L709-W756 HydrophobicContact CD1-CH2 3.97Å; L709-W756 HydrophobicContact CD1-CZ2 3.69Å
710R91Very high88.2Confident128 Ų12859.9 Ų59.948%0.48331%0.306SS..EExtended strand (participates in β ladder)trans-94.5119.3171-52.6-167.5-176.6-139.61.8108.7E708 E740 I742E708-R710 IonicContact OE1-CZ 3.14Å; E708-R710 IonicContact OE1-NE 3.17Å; E708-R710 PolarHBondContact OE1-NE 3Å; E708-R710 IonicContact OE1-NH2 3.82Å; E708-R710 PolarHBondContact OE1-NH2 3.42Å; R710-E740 WeakPolarHBondContact CA-O 3.38Å; R710-E740 HydrophobicContact CG-CB 4.15Å; R710-E740 IonicContact CZ-OE1 2.76Å; R710-E740 IonicContact CZ-OE2 2.95Å; R710-E740 IonicContact NE-OE1 3.18Å; R710-E740 IonicContact NE-OE2 2.73Å; R710-E740 PolarHBondContact NE-OE2 3.22Å; R710-E740 IonicContact NH1-OE1 3.72Å; R710-E740 PolarHBondContact NH1-OE1 3.03Å; R710-E740 IonicContact NH1-OE2 3.78Å; R710-E740 PolarHBondContact NH1-OE2 3.44Å; R710-E740 VanDerWaalsContact NH1-OE2 3.11Å; R710-E740 IonicContact NH2-OE2 2.66Å; R710-I742 HydrophobicContact CB-CD1 4.09Å; R710-I742 HydrophobicContact CB-CG1 4.07Å
711V91.7Very high88.9Confident0 Ų059.1 Ų59.10%030%0.298CS..EExtended strand (participates in β ladder)trans-138.1152.6-173.3-59.20000110.8I716 D719 L723 I739 E740 F741 I742V711-I716 HydrophobicContact CG2-CG1 4.46Å; V711-D719 HydrophobicContact CB-CB 3.92Å; V711-D719 HydrophobicContact CG1-CB 3.8Å; V711-L723 HydrophobicContact CG1-CD1 4.28Å; V711-I739 HydrophobicContact CG2-CG2 4.25Å; V711-E740 PolarHBondContact N-O 3.34Å; V711-F741 HydrophobicContact CG2-CD1 3.75Å; V711-F741 HydrophobicContact CG2-CE1 3.67Å; V711-F741 CarbonylContact O-C 3.57Å; V711-F741 WeakPolarHBondContact O-CA 3.38Å; V711-I742 PolarHBondContact O-N 3.05Å
712T91.7Very high89.5Confident51 Ų5158.1 Ų58.131%0.31330%0.295SS..  trans-91.1149.5169.362.30000110A714 G715 I716 D719 I742T712-A714 VanDerWaalsContact C-N 3.32Å; T712-A714 PolarHBondContact O-N 3.3Å; T712-G715 PolarHBondContact O-N 3.43Å; T712-G715 WeakPolarHBondContact OG1-CA 3.31Å; T712-G715 PolarHBondContact OG1-N 3.26Å; T712-I716 VanDerWaalsContact O-CA 3.3Å; T712-I716 WeakPolarHBondContact O-CA 3.33Å; T712-I716 WeakPolarHBondContact O-CB 3.21Å; T712-I716 PolarHBondContact O-N 3.27Å; T712-D719 PolarHBondContact N-OD2 3.36Å; T712-D719 PolarHBondContact OG1-OD2 3.45Å; T712-I742 HydrophobicContact CG2-CB 4.33Å; T712-I742 HydrophobicContact CG2-CD1 4.21Å
713R88.2Confident89.9Confident67 Ų6757.9 Ų57.925%0.25329%0.293SS..THydrogen-bonded Turntrans-61.2-41.4172.7-73.8-172.8-178.9-90.5-19.2112F741 E744 E755R713-F741 HydrophobicContact CG-CD1 3.71Å; R713-F741 HydrophobicContact CG-CE1 3.99Å; R713-F741 HydrophobicContact CG-CG 4.28Å; R713-E744 WeakPolarHBondContact CD-OE1 3.37Å; R713-E744 WeakPolarHBondContact CG-OE1 3.37Å; R713-E744 IonicContact CZ-OE1 2.89Å; R713-E744 IonicContact CZ-OE2 3.18Å; R713-E744 VanDerWaalsContact CZ-OE2 3.24Å; R713-E744 IonicContact NE-OE1 3.96Å; R713-E744 PolarHBondContact NE-OE1 3.29Å; R713-E744 IonicContact NE-OE2 2.71Å; R713-E744 PolarHBondContact NE-OE2 3.22Å; R713-E744 IonicContact NH2-OE1 2.76Å; R713-E744 IonicContact NH2-OE2 3.84Å; R713-E744 PolarHBondContact NH2-OE2 3.44Å; R713-E755 IonicContact CZ-OE1 3.39Å; R713-E755 IonicContact CZ-OE2 2.81Å; R713-E755 VanDerWaalsContact NH1-CD 3.31Å; R713-E755 IonicContact NH1-OE1 2.76Å; R713-E755 PolarHBondContact NH1-OE1 2.78Å; R713-E755 IonicContact NH1-OE2 3.29Å; R713-E755 PolarHBondContact NH1-OE2 3.15Å; R713-E755 IonicContact NH2-OE1 2.62Å; R713-E755 PolarHBondContact NH2-OE1 2.88Å; R713-E755 IonicContact NH2-OE2 2.81Å; R713-E755 PolarHBondContact NH2-OE2 2.84Å
714A87.3Confident90.7Very high95 Ų9552.8 Ų52.879%0.78526%0.26SS*.THydrogen-bonded Turntrans-71.4-33.2-179.500000113.9T712T712-A714 VanDerWaalsContact C-N 3.32Å; T712-A714 PolarHBondContact O-N 3.3Å
715G86.2Confident91.2Very high21 Ų2148.5 Ų48.522%0.21624%0.237CC..THydrogen-bonded Turntrans-101.28.1-178.500000114.8T712 F717 E718 D719T712-G715 PolarHBondContact O-N 3.43Å; T712-G715 WeakPolarHBondContact OG1-CA 3.31Å; T712-G715 PolarHBondContact OG1-N 3.26Å; G715-F717 PolarHBondContact O-N 2.91Å; G715-E718 PolarHBondContact O-N 2.69Å; G715-D719 PolarHBondContact O-N 3.12Å
716I92.1Very high91.1Very high6 Ų650.2 Ų50.23%0.03126%0.256CS..Hα-helixtrans-47-39.4-165.5-167.7176.5000114.6V711 T712 S720 F741 L759 L760 E763V711-I716 HydrophobicContact CG2-CG1 4.46Å; T712-I716 VanDerWaalsContact O-CA 3.3Å; T712-I716 WeakPolarHBondContact O-CA 3.33Å; T712-I716 WeakPolarHBondContact O-CB 3.21Å; T712-I716 PolarHBondContact O-N 3.27Å; I716-S720 WeakPolarHBondContact O-CB 3.17Å; I716-S720 PolarHBondContact O-N 3.01Å; I716-S720 PolarHBondContact O-OG 3.1Å; I716-F741 HydrophobicContact CD1-CE1 4.01Å; I716-F741 HydrophobicContact CD1-CZ 4.2Å; I716-L759 HydrophobicContact CD1-CB 3.6Å; I716-L759 HydrophobicContact CD1-CD1 4.43Å; I716-L760 HydrophobicContact CD1-CB 4.23Å; I716-L760 HydrophobicContact CG1-CB 4.43Å; I716-E763 HydrophobicContact CG2-CG 4.26Å
717F92.2Very high91.3Very high4 Ų446.5 Ų46.52%0.01824%0.241CC..Hα-helixtrans-67.5-49.8177.6177.7-116.3000113G715 F721 L760 E763 M764 Y769 L771 Y798 F801G715-F717 PolarHBondContact O-N 2.91Å; F717-F721 WeakPolarHBondContact O-CB 3.41Å; F717-F721 PolarHBondContact O-N 3.11Å; F717-L760 HydrophobicContact CB-CD1 4.31Å; F717-L760 HydrophobicContact CD2-CD1 4.16Å; F717-E763 HydrophobicContact CB-CB 4.1Å; F717-M764 HydrophobicContact CD2-CB 4.42Å; F717-M764 HydrophobicContact CD2-CG 3.71Å; F717-M764 HydrophobicContact CE2-CB 4.26Å; F717-M764 HydrophobicContact CE2-CG 3.76Å; F717-Y769 AromaticContact CD1-CE1 3.75Å; F717-Y769 HydrophobicContact CD1-CE1 3.75Å; F717-Y769 HydrophobicContact CD1-CE2 4.12Å; F717-Y769 AromaticContact CD1-CZ 3.51Å; F717-Y769 WeakPolarHBondContact CD1-OH 3.37Å; F717-Y769 AromaticContact CE1-CD1 3.9Å; F717-Y769 HydrophobicContact CE1-CD1 3.9Å; F717-Y769 AromaticContact CE1-CE1 3.55Å; F717-Y769 HydrophobicContact CE1-CE1 3.55Å; F717-Y769 HydrophobicContact CE1-CE2 4.26Å; F717-Y769 HydrophobicContact CE1-CG 4.36Å; F717-Y769 AromaticContact CE1-CZ 3.74Å; F717-L771 HydrophobicContact CZ-CD1 4.34Å; F717-Y798 AromaticContact CE1-CD1 3.95Å; F717-Y798 HydrophobicContact CE1-CD1 3.95Å; F717-Y798 AromaticContact CE1-CE1 3.67Å; F717-Y798 HydrophobicContact CE1-CE1 3.67Å; F717-Y798 HydrophobicContact CE2-CD1 4.25Å; F717-Y798 AromaticContact CZ-CD1 3.44Å; F717-Y798 HydrophobicContact CZ-CD1 3.44Å; F717-Y798 VanDerWaalsContact CZ-CD1 3.44Å; F717-Y798 AromaticContact CZ-CE1 3.68Å; F717-Y798 HydrophobicContact CZ-CE1 3.68Å; F717-Y798 HydrophobicContact CZ-CG 4.5Å; F717-F801 HydrophobicContact CD2-CE1 4.05Å; F717-F801 HydrophobicContact CE2-CD1 4.43Å; F717-F801 AromaticContact CE2-CE1 3.91Å; F717-F801 HydrophobicContact CE2-CE1 3.91Å
718E90.9Very high91.3Very high56 Ų5655.2 Ų55.226%0.26228%0.279SS..Hα-helixtrans-75.3-33.4-178.1-60.9-63.116400112.1G715 R722 Y798G715-E718 PolarHBondContact O-N 2.69Å; E718-R722 WeakPolarHBondContact O-CB 3.41Å; E718-R722 VanDerWaalsContact O-CG 3.22Å; E718-R722 WeakPolarHBondContact O-CG 3.42Å; E718-R722 PolarHBondContact O-N 2.95Å; E718-R722 PolarHBondContact O-NE 2.88Å; E718-Y798 PolarHBondContact OE2-OH 3Å
719D93.6Very high91.4Very high18 Ų1859.6 Ų59.610%0.09629%0.292CS..Hα-helixtrans-64.5-50.2173.7-65.4-19.6000110.4V711 T712 G715 F721 R722 L723V711-D719 HydrophobicContact CB-CB 3.92Å; V711-D719 HydrophobicContact CG1-CB 3.8Å; T712-D719 PolarHBondContact N-OD2 3.36Å; T712-D719 PolarHBondContact OG1-OD2 3.45Å; G715-D719 PolarHBondContact O-N 3.12Å; D719-F721 PolarHBondContact O-N 2.84Å; D719-R722 PolarHBondContact O-N 2.7Å; D719-R722 IonicContact OD1-CZ 2.68Å; D719-R722 IonicContact OD1-NH2 2.73Å; D719-R722 PolarHBondContact OD1-NH2 2.82Å; D719-L723 VanDerWaalsContact O-CG 3.31Å; D719-L723 WeakPolarHBondContact O-CG 3.48Å; D719-L723 PolarHBondContact O-N 2.64Å; D719-L723 VanDerWaalsContact O-N 3.12Å
720S95.5Very high91.4Very high0 Ų060.8 Ų60.80%030%0.299CS..Hα-helixtrans-64.3-39.8176.8-57.20000112.1I716 L723 I724 W756 F801I716-S720 WeakPolarHBondContact O-CB 3.17Å; I716-S720 PolarHBondContact O-N 3.01Å; I716-S720 PolarHBondContact O-OG 3.1Å; S720-L723 PolarHBondContact O-N 3.35Å; S720-I724 WeakPolarHBondContact O-CB 3.42Å; S720-I724 WeakPolarHBondContact O-CG1 3.3Å; S720-I724 PolarHBondContact O-N 2.79Å; S720-W756 PolarHBondContact OG-NE1 2.94Å; S720-F801 WeakPolarHBondContact O-CE2 3.43Å
721F94.7Very high91.4Very high23 Ų2356.6 Ų56.610%0.10129%0.285CS..Hα-helixtrans-58.6-52.6175.9175.9-106.5000111.1F717 D719 L723 I724 Y725 K797 Y798 F801F717-F721 WeakPolarHBondContact O-CB 3.41Å; F717-F721 PolarHBondContact O-N 3.11Å; D719-F721 PolarHBondContact O-N 2.84Å; F721-L723 VanDerWaalsContact C-N 3.33Å; F721-L723 PolarHBondContact O-N 3.2Å; F721-I724 PolarHBondContact O-N 3.33Å; F721-Y725 HydrophobicContact CE2-CD2 4.06Å; F721-Y725 AromaticContact CE2-CG 3.91Å; F721-Y725 HydrophobicContact CE2-CG 3.91Å; F721-Y725 HydrophobicContact CZ-CD1 4.25Å; F721-Y725 HydrophobicContact CZ-CG 4.1Å; F721-Y725 WeakPolarHBondContact O-CB 3.26Å; F721-Y725 PolarHBondContact O-N 3.44Å; F721-K797 HydrophobicContact CE2-CB 4.28Å; F721-K797 HydrophobicContact CZ-CB 4.09Å; F721-Y798 HydrophobicContact CD1-CE1 4.14Å; F721-Y798 AromaticContact CD2-CD1 3.83Å; F721-Y798 HydrophobicContact CD2-CD1 3.83Å; F721-Y798 AromaticContact CD2-CE1 3.93Å; F721-Y798 HydrophobicContact CD2-CE1 3.93Å; F721-Y798 HydrophobicContact CE1-CE1 4.27Å; F721-Y798 AromaticContact CE2-CD1 3.91Å; F721-Y798 HydrophobicContact CE2-CD1 3.91Å; F721-Y798 HydrophobicContact CE2-CE1 4.08Å; F721-Y798 HydrophobicContact CE2-CG 4.21Å; F721-Y798 HydrophobicContact CG-CD1 4.33Å; F721-Y798 AromaticContact CG-CE1 3.98Å; F721-Y798 HydrophobicContact CG-CE1 3.98Å; F721-Y798 HydrophobicContact CZ-CD1 4.45Å; F721-Y798 HydrophobicContact CZ-CE1 4.25Å; F721-Y798 HydrophobicContact CZ-CE2 4.44Å; F721-F801 HydrophobicContact CB-CD1 4.32Å; F721-F801 HydrophobicContact CB-CE1 4.19Å; F721-F801 HydrophobicContact CB-CE2 4.4Å; F721-F801 HydrophobicContact CB-CG 4.47Å; F721-F801 HydrophobicContact CB-CZ 4.23Å; F721-F801 HydrophobicContact CD2-CB 3.62Å; F721-F801 AromaticContact CD2-CD1 3.74Å; F721-F801 HydrophobicContact CD2-CD1 3.74Å; F721-F801 HydrophobicContact CD2-CD2 4.2Å; F721-F801 HydrophobicContact CD2-CE1 4.44Å; F721-F801 AromaticContact CD2-CG 3.59Å; F721-F801 HydrophobicContact CD2-CG 3.59Å; F721-F801 HydrophobicContact CE2-CB 3.9Å; F721-F801 HydrophobicContact CE2-CG 4.36Å
722R92.5Very high91.4Very high161 Ų16159 Ų5961%0.60830%0.299SS*.Hα-helixtrans-57.6-44.5179.7-73.4-177.5-67.5174.2-1.4112.1E718 D719E718-R722 WeakPolarHBondContact O-CB 3.41Å; E718-R722 VanDerWaalsContact O-CG 3.22Å; E718-R722 WeakPolarHBondContact O-CG 3.42Å; E718-R722 PolarHBondContact O-N 2.95Å; E718-R722 PolarHBondContact O-NE 2.88Å; D719-R722 PolarHBondContact O-N 2.7Å; D719-R722 IonicContact OD1-CZ 2.68Å; D719-R722 IonicContact OD1-NH2 2.73Å; D719-R722 PolarHBondContact OD1-NH2 2.82Å
723L92.6Very high91.5Very high71 Ų7156.5 Ų56.537%0.37228%0.284SS..Hα-helixtrans-72.9-41.7-177.2-66.6169.3000113.2L709 V711 D719 S720 F721 I727L709-L723 HydrophobicContact CD2-CB 3.54Å; L709-L723 HydrophobicContact CD2-CD1 3.65Å; L709-L723 HydrophobicContact CD2-CG 4.19Å; V711-L723 HydrophobicContact CG1-CD1 4.28Å; D719-L723 VanDerWaalsContact O-CG 3.31Å; D719-L723 WeakPolarHBondContact O-CG 3.48Å; D719-L723 PolarHBondContact O-N 2.64Å; D719-L723 VanDerWaalsContact O-N 3.12Å; S720-L723 PolarHBondContact O-N 3.35Å; F721-L723 VanDerWaalsContact C-N 3.33Å; F721-L723 PolarHBondContact O-N 3.2Å; L723-I727 WeakPolarHBondContact O-CD1 3.39Å; L723-I727 WeakPolarHBondContact O-CG1 3.42Å
724I95.5Very high91.7Very high0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-90.2-35.2-172.4-64.1172.5000112.6F707 L709 S720 F721 L733 W756 F801 R804 V805 M808F707-I724 HydrophobicContact CE1-CG1 4.26Å; F707-I724 HydrophobicContact CZ-CG1 4.37Å; L709-I724 HydrophobicContact CD1-CD1 4.08Å; L709-I724 HydrophobicContact CD2-CD1 4.49Å; L709-I724 HydrophobicContact CD2-CG1 4.13Å; S720-I724 WeakPolarHBondContact O-CB 3.42Å; S720-I724 WeakPolarHBondContact O-CG1 3.3Å; S720-I724 PolarHBondContact O-N 2.79Å; F721-I724 PolarHBondContact O-N 3.33Å; I724-L733 HydrophobicContact CG1-CD2 4.43Å; I724-L733 HydrophobicContact CG2-CD1 4.11Å; I724-L733 HydrophobicContact CG2-CD2 4.23Å; I724-W756 HydrophobicContact CD1-CH2 3.55Å; I724-W756 HydrophobicContact CD1-CZ2 3.65Å; I724-F801 HydrophobicContact CB-CD2 3.99Å; I724-F801 HydrophobicContact CB-CE2 3.93Å; I724-F801 HydrophobicContact CD1-CE2 4.18Å; I724-F801 HydrophobicContact CG2-CD2 4.05Å; I724-F801 HydrophobicContact CG2-CE2 4.27Å; I724-R804 HydrophobicContact CG2-CB 3.97Å; I724-R804 PolarHBondContact O-NH1 3.19Å; I724-V805 HydrophobicContact CD1-CG2 4.12Å; I724-M808 HydrophobicContact CD1-CE 4.02Å; I724-M808 HydrophobicContact CD1-SD 4.02Å; I724-M808 HydrophobicContact CG2-SD 4.12Å
725Y92.1Very high91.9Very high83 Ų8351 Ų5133%0.32525%0.246SC..Hα-helixtrans-68.4-37.3178.4-175.4-98.2000112F721 I727 K797 K800 F801 R804F721-Y725 HydrophobicContact CE2-CD2 4.06Å; F721-Y725 AromaticContact CE2-CG 3.91Å; F721-Y725 HydrophobicContact CE2-CG 3.91Å; F721-Y725 HydrophobicContact CZ-CD1 4.25Å; F721-Y725 HydrophobicContact CZ-CG 4.1Å; F721-Y725 WeakPolarHBondContact O-CB 3.26Å; F721-Y725 PolarHBondContact O-N 3.44Å; Y725-I727 PolarHBondContact O-N 3.07Å; Y725-I727 VanDerWaalsContact O-N 3.15Å; Y725-K797 HydrophobicContact CD2-CB 4.4Å; Y725-K797 HydrophobicContact CE1-CB 4.42Å; Y725-K797 HydrophobicContact CE1-CD 4.13Å; Y725-K797 HydrophobicContact CE2-CB 3.72Å; Y725-K797 HydrophobicContact CE2-CG 4.29Å; Y725-K797 WeakPolarHBondContact OH-CG 3.42Å; Y725-K800 HydrophobicContact CE2-CB 4.4Å; Y725-F801 HydrophobicContact CD2-CB 4.31Å; Y725-R804 PolarHBondContact O-NH1 3.15Å
726G87.2Confident92Very high52 Ų5255.5 Ų55.554%0.53626%0.256SS..THydrogen-bonded Turntrans-67.1-11.8-178.400000115.8K728G726-K728 PolarHBondContact O-N 2.97Å
727I92.2Very high92Very high30 Ų3055.3 Ų55.315%0.15426%0.255CS..  trans-75118.7-172.9-74.1166.7000111.9F707 L723 Y725 R729 V732 L733 R804F707-I727 HydrophobicContact CD2-CD1 4.47Å; F707-I727 HydrophobicContact CE1-CD1 4.34Å; F707-I727 HydrophobicContact CE2-CD1 3.46Å; F707-I727 VanDerWaalsContact CE2-CD1 3.46Å; F707-I727 HydrophobicContact CZ-CD1 3.38Å; L723-I727 WeakPolarHBondContact O-CD1 3.39Å; L723-I727 WeakPolarHBondContact O-CG1 3.42Å; Y725-I727 PolarHBondContact O-N 3.07Å; Y725-I727 VanDerWaalsContact O-N 3.15Å; I727-R729 WeakPolarHBondContact CG2-O 3.24Å; I727-V732 HydrophobicContact CG2-CB 4.49Å; I727-L733 HydrophobicContact CD1-CD2 3.62Å; I727-L733 HydrophobicContact CD1-CG 4.41Å; I727-R804 PolarHBondContact O-NH1 2.64Å; I727-R804 PolarHBondContact O-NH2 2.74Å; I727-R804 VanDerWaalsContact O-NH2 3.14Å
728K90.4Very high91.8Very high204 Ų20458.2 Ų58.289%0.88727%0.266SS*.SBendtrans-84.4-14.8-179.6-62.2-179.9-178.8175.90114.5G726G726-K728 PolarHBondContact O-N 2.97Å
729R91.5Very high91.7Very high182 Ų18256 Ų5669%0.68726%0.256SS*.  trans-125.197.3176.6-75.9-173171.1118.90108.3I727 E731 V732I727-R729 WeakPolarHBondContact CG2-O 3.24Å; R729-E731 PolarHBondContact O-N 3.47Å; R729-E731 VanDerWaalsContact O-N 3.12Å; R729-V732 HydrophobicContact CB-CG2 4.29Å; R729-V732 WeakPolarHBondContact O-CG2 3.35Å; R729-V732 PolarHBondContact O-N 2.93Å; R729-V732 VanDerWaalsContact O-N 3.15Å
730P91.2Very high91.5Very high24 Ų2457.9 Ų57.916%0.15626%0.264CS..G310 helixtrans-64.6-19.8-171.628.5-37.1000112.9V732 L733 D922P730-V732 PolarHBondContact O-N 3.37Å; P730-V732 VanDerWaalsContact O-N 3.12Å; P730-L733 WeakPolarHBondContact O-CA 3.45Å; P730-L733 WeakPolarHBondContact O-CB 3.43Å; P730-L733 PolarHBondContact O-N 2.95Å; P730-D922 HydrophobicContact CB-CB 3.59Å; P730-D922 WeakPolarHBondContact CB-O 3.42Å; P730-D922 HydrophobicContact CG-CB 4.11Å; P730-D922 WeakPolarHBondContact CG-OD1 3.34Å
731E90.7Very high91.1Very high41 Ų4158.2 Ų58.219%0.19227%0.265CS..G310 helixtrans-60.3-21.6175.9-57149.8111.500113.2R698 R701 R729 L733 M734R698-E731 IonicContact CZ-OE1 3.36Å; R698-E731 IonicContact NH1-OE1 3.2Å; R698-E731 PolarHBondContact NH1-OE1 2.95Å; R698-E731 IonicContact NH2-OE1 3.24Å; R698-E731 PolarHBondContact NH2-OE1 3.5Å; R701-E731 IonicContact CZ-OE1 3.35Å; R701-E731 IonicContact NE-OE1 3.21Å; R701-E731 PolarHBondContact NE-OE1 3.24Å; R701-E731 IonicContact NH2-OE1 3.27Å; R701-E731 PolarHBondContact NH2-OE1 3.41Å; R701-E731 IonicContact NH2-OE2 3.46Å; R729-E731 PolarHBondContact O-N 3.47Å; R729-E731 VanDerWaalsContact O-N 3.12Å; E731-L733 PolarHBondContact O-N 3.43Å; E731-M734 VanDerWaalsContact O-CB 3.31Å; E731-M734 WeakPolarHBondContact O-CB 3.21Å; E731-M734 PolarHBondContact O-N 2.86Å; E731-M734 VanDerWaalsContact O-N 3.11Å
732V92.1Very high90.7Very high49 Ų4961.6 Ų61.630%0.29728%0.283SS..G310 helixtrans-64.6-29.1171.7179.50000111.2F707 I727 R729 P730 M734 H735F707-V732 HydrophobicContact CD2-CG1 3.82Å; F707-V732 HydrophobicContact CE2-CG1 4.43Å; F707-V732 HydrophobicContact CG-CG1 4.39Å; I727-V732 HydrophobicContact CG2-CB 4.49Å; R729-V732 HydrophobicContact CB-CG2 4.29Å; R729-V732 WeakPolarHBondContact O-CG2 3.35Å; R729-V732 PolarHBondContact O-N 2.93Å; R729-V732 VanDerWaalsContact O-N 3.15Å; P730-V732 PolarHBondContact O-N 3.37Å; P730-V732 VanDerWaalsContact O-N 3.12Å; V732-M734 PolarHBondContact O-N 2.85Å; V732-H735 VanDerWaalsContact O-CB 3.28Å; V732-H735 WeakPolarHBondContact O-CB 3.46Å; V732-H735 PolarHBondContact O-N 3.48Å
733L93.3Very high90.2Very high0 Ų057.8 Ų57.80%030%0.295CS..G310 helixtrans-73.3-10.3175.8-55.5174.2000112.8F707 I724 I727 P730 E731 R804 M808 H812 L923F707-L733 HydrophobicContact CD1-CD2 3.93Å; F707-L733 HydrophobicContact CE1-CD2 3.4Å; F707-L733 VanDerWaalsContact CE1-CD2 3.4Å; F707-L733 HydrophobicContact CZ-CD2 3.76Å; I724-L733 HydrophobicContact CG1-CD2 4.43Å; I724-L733 HydrophobicContact CG2-CD1 4.11Å; I724-L733 HydrophobicContact CG2-CD2 4.23Å; I727-L733 HydrophobicContact CD1-CD2 3.62Å; I727-L733 HydrophobicContact CD1-CG 4.41Å; P730-L733 WeakPolarHBondContact O-CA 3.45Å; P730-L733 WeakPolarHBondContact O-CB 3.43Å; P730-L733 PolarHBondContact O-N 2.95Å; E731-L733 PolarHBondContact O-N 3.43Å; L733-R804 HydrophobicContact CD1-CB 4.4Å; L733-R804 HydrophobicContact CD1-CG 4.41Å; L733-M808 HydrophobicContact CB-CG 3.97Å; L733-M808 HydrophobicContact CB-SD 4.07Å; L733-M808 HydrophobicContact CD1-CG 4.5Å; L733-M808 HydrophobicContact CD1-SD 4.05Å; L733-M808 HydrophobicContact CD2-CE 4.18Å; L733-M808 HydrophobicContact CD2-SD 3.86Å; L733-M808 HydrophobicContact CG-SD 4.21Å; L733-H812 PolarHBondContact O-NE2 3.43Å; L733-L923 HydrophobicContact CB-CD1 4.39Å; L733-L923 HydrophobicContact CB-CD2 3.88Å; L733-L923 HydrophobicContact CB-CG 4.43Å; L733-L923 HydrophobicContact CD1-CD1 4.04Å
734M92.1Very high89.6Confident14 Ų1457 Ų577%0.06929%0.289CS..G310 helixtrans-85.4-12.1171.7-61.3177.8171.700112.8P700 E731 V732 Y811 L923P700-M734 HydrophobicContact CB-CB 4.47Å; E731-M734 VanDerWaalsContact O-CB 3.31Å; E731-M734 WeakPolarHBondContact O-CB 3.21Å; E731-M734 PolarHBondContact O-N 2.86Å; E731-M734 VanDerWaalsContact O-N 3.11Å; V732-M734 PolarHBondContact O-N 2.85Å; M734-Y811 HydrophobicContact CB-CD1 4.43Å; M734-Y811 HydrophobicContact CB-CE1 3.69Å; M734-Y811 HydrophobicContact CB-CE2 4.28Å; M734-Y811 HydrophobicContact CE-CD2 4.41Å; M734-Y811 HydrophobicContact CE-CE2 4.06Å; M734-Y811 HydrophobicContact CG-CD1 4.45Å; M734-Y811 HydrophobicContact CG-CD2 4.26Å; M734-Y811 HydrophobicContact CG-CE1 4Å; M734-Y811 HydrophobicContact CG-CE2 3.79Å; M734-Y811 HydrophobicContact SD-CE2 3.96Å; M734-L923 HydrophobicContact CE-CB 4.38Å; M734-L923 WeakPolarHBondContact CE-O 3.44Å; M734-L923 HydrophobicContact CG-CD2 4.36Å
735H91.6Very high88.2Confident33 Ų3366.7 Ų66.715%0.15333%0.331CS..SBendtrans-68163.7176-64.1176.4000111.7A705 F707 V732 L737 H812A705-H735 HydrophobicContact CB-CB 4.28Å; A705-H735 WeakPolarHBondContact CB-ND1 3.46Å; A705-H735 WeakPolarHBondContact O-CB 3.46Å; F707-H735 HydrophobicContact CB-CB 4.12Å; V732-H735 VanDerWaalsContact O-CB 3.28Å; V732-H735 WeakPolarHBondContact O-CB 3.46Å; V732-H735 PolarHBondContact O-N 3.48Å; H735-L737 PolarHBondContact O-N 2.78Å; H735-L737 VanDerWaalsContact O-N 3.09Å; H735-H812 PolarHBondContact O-CE1 2.82Å
736R89Confident86.7Confident114 Ų11464.3 Ų64.343%0.4333%0.332SS..EExtended strand (participates in β ladder)trans-62.7114.6-178.9-175.6176.9-179.1178.41.9110.4A705 K706 F707A705-R736 PolarHBondContact O-N 2.79Å; K706-R736 CarbonylContact C-O 3.57Å; K706-R736 VanDerWaalsContact CA-O 3.25Å; K706-R736 WeakPolarHBondContact CA-O 3.27Å; F707-R736 PolarHBondContact N-O 3.04Å
737L90.5Very high85Confident3 Ų369.1 Ų69.12%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-62.3136.5-179.2-54.9-178.9000111.3F707 H735 I739 Q753 F757 M808 H812F707-L737 HydrophobicContact CB-CD2 4.48Å; F707-L737 HydrophobicContact CD1-CD2 3.89Å; H735-L737 PolarHBondContact O-N 2.78Å; H735-L737 VanDerWaalsContact O-N 3.09Å; L737-I739 HydrophobicContact CB-CD1 4.48Å; L737-Q753 HydrophobicContact CB-CG 4.25Å; L737-Q753 PolarHBondContact O-NE2 3.04Å; L737-F757 HydrophobicContact CD1-CE2 3.63Å; L737-F757 HydrophobicContact CD1-CZ 3.91Å; L737-M808 HydrophobicContact CD1-CE 4.4Å; L737-M808 HydrophobicContact CD2-CE 3.78Å; L737-H812 HydrophobicContact CD1-CB 4.41Å
738W88.9Confident83.4Confident64 Ų6470.4 Ų70.424%0.24235%0.351CS..EExtended strand (participates in β ladder)trans-131.6104.6174.8-166.9-77.8000107.7K706 F707 E708 L709 Y749K706-W738 HydrophobicContact CD-CD2 4.2Å; K706-W738 HydrophobicContact CD-CE3 3.71Å; K706-W738 HydrophobicContact CD-CZ3 4.26Å; F707-W738 PolarHBondContact O-N 2.74Å; E708-W738 CarbonylContact C-O 3.56Å; E708-W738 WeakPolarHBondContact CA-O 3.45Å; L709-W738 PolarHBondContact N-O 2.93Å; W738-Y749 HydrophobicContact CH2-CD1 4.33Å; W738-Y749 AromaticContact CH2-CE1 3.81Å; W738-Y749 HydrophobicContact CH2-CE1 3.81Å; W738-Y749 AromaticContact CZ3-CD1 3.95Å; W738-Y749 HydrophobicContact CZ3-CD1 3.95Å; W738-Y749 AromaticContact CZ3-CE1 3.71Å; W738-Y749 HydrophobicContact CZ3-CE1 3.71Å
739I89.4Confident82Confident10 Ų1066.6 Ų66.65%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-101133.9-178.5-42.8-57.6000108.8L709 V711 L737 V752 Q753 W756L709-I739 HydrophobicContact CB-CD1 3.84Å; L709-I739 HydrophobicContact CD1-CD1 3.64Å; L709-I739 HydrophobicContact CG-CD1 4.27Å; L709-I739 WeakPolarHBondContact O-CA 3.45Å; V711-I739 HydrophobicContact CG2-CG2 4.25Å; L737-I739 HydrophobicContact CB-CD1 4.48Å; I739-V752 HydrophobicContact CB-CG1 3.93Å; I739-V752 HydrophobicContact CG2-CG1 4.12Å; I739-Q753 HydrophobicContact CG1-CG 4.21Å; I739-W756 HydrophobicContact CD1-CD2 4.01Å; I739-W756 HydrophobicContact CD1-CE3 4.21Å; I739-W756 HydrophobicContact CD1-CG 4.18Å; I739-W756 HydrophobicContact CG1-CB 4.09Å; I739-W756 HydrophobicContact CG1-CD2 4.45Å; I739-W756 HydrophobicContact CG1-CG 4.18Å; I739-W756 HydrophobicContact CG2-CB 3.96Å; I739-W756 HydrophobicContact CG2-CG 3.92Å
740E88.4Confident80.9Confident57 Ų5758 Ų5827%0.26630%0.3SS..EExtended strand (participates in β ladder)trans-125.5118.3174.9-179.9-175.413900108.1L709 R710 V711L709-E740 PolarHBondContact O-N 3.2Å; R710-E740 WeakPolarHBondContact CA-O 3.38Å; R710-E740 HydrophobicContact CG-CB 4.15Å; R710-E740 IonicContact CZ-OE1 2.76Å; R710-E740 IonicContact CZ-OE2 2.95Å; R710-E740 IonicContact NE-OE1 3.18Å; R710-E740 IonicContact NE-OE2 2.73Å; R710-E740 PolarHBondContact NE-OE2 3.22Å; R710-E740 IonicContact NH1-OE1 3.72Å; R710-E740 PolarHBondContact NH1-OE1 3.03Å; R710-E740 IonicContact NH1-OE2 3.78Å; R710-E740 PolarHBondContact NH1-OE2 3.44Å; R710-E740 VanDerWaalsContact NH1-OE2 3.11Å; R710-E740 IonicContact NH2-OE2 2.66Å; V711-E740 PolarHBondContact N-O 3.34Å
741F88Confident80.2Confident7 Ų756.8 Ų56.83%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-82.3117.6168.5-75.8-69.1000109V711 R713 I716 G743 E744 V752 E755 W756 L759V711-F741 HydrophobicContact CG2-CD1 3.75Å; V711-F741 HydrophobicContact CG2-CE1 3.67Å; V711-F741 CarbonylContact O-C 3.57Å; V711-F741 WeakPolarHBondContact O-CA 3.38Å; R713-F741 HydrophobicContact CG-CD1 3.71Å; R713-F741 HydrophobicContact CG-CE1 3.99Å; R713-F741 HydrophobicContact CG-CG 4.28Å; I716-F741 HydrophobicContact CD1-CE1 4.01Å; I716-F741 HydrophobicContact CD1-CZ 4.2Å; F741-G743 PolarHBondContact O-N 3.15Å; F741-G743 VanDerWaalsContact O-N 3.11Å; F741-E744 HydrophobicContact CB-CB 4.16Å; F741-E744 VanDerWaalsContact CB-CD 3.47Å; F741-E744 HydrophobicContact CB-CG 4.3Å; F741-E744 WeakPolarHBondContact CB-OE1 3.47Å; F741-E744 WeakPolarHBondContact CB-OE2 3.44Å; F741-E744 PolarHBondContact O-N 2.69Å; F741-V752 HydrophobicContact CD2-CG1 3.61Å; F741-V752 HydrophobicContact CE2-CG1 3.62Å; F741-E755 WeakPolarHBondContact CE2-OE2 3.23Å; F741-W756 HydrophobicContact CZ-CB 4.36Å; F741-L759 HydrophobicContact CZ-CD1 4.21Å
742I86.7Confident79.9Confident94 Ų9455.2 Ų55.248%0.48229%0.286SS..THydrogen-bonded Turntrans-66.2113.4-171-61.8170.5000109.7R710 V711 T712R710-I742 HydrophobicContact CB-CD1 4.09Å; R710-I742 HydrophobicContact CB-CG1 4.07Å; V711-I742 PolarHBondContact O-N 3.05Å; T712-I742 HydrophobicContact CG2-CB 4.33Å; T712-I742 HydrophobicContact CG2-CD1 4.21Å
743G82Confident79.6Confident82 Ų8253.7 Ų53.785%0.84528%0.275SS*.THydrogen-bonded Turntrans110.7-16.5-177.100000114.3F741F741-G743 PolarHBondContact O-N 3.15Å; F741-G743 VanDerWaalsContact O-N 3.11Å
744E79.6Confident79.2Confident53 Ų5354.7 Ų54.725%0.24828%0.279CS..SBendtrans-104.5141-174-67.9161.9-132.400112.1R713 F741 G746R713-E744 WeakPolarHBondContact CD-OE1 3.37Å; R713-E744 WeakPolarHBondContact CG-OE1 3.37Å; R713-E744 IonicContact CZ-OE1 2.89Å; R713-E744 IonicContact CZ-OE2 3.18Å; R713-E744 VanDerWaalsContact CZ-OE2 3.24Å; R713-E744 IonicContact NE-OE1 3.96Å; R713-E744 PolarHBondContact NE-OE1 3.29Å; R713-E744 IonicContact NE-OE2 2.71Å; R713-E744 PolarHBondContact NE-OE2 3.22Å; R713-E744 IonicContact NH2-OE1 2.76Å; R713-E744 IonicContact NH2-OE2 3.84Å; R713-E744 PolarHBondContact NH2-OE2 3.44Å; F741-E744 HydrophobicContact CB-CB 4.16Å; F741-E744 VanDerWaalsContact CB-CD 3.47Å; F741-E744 HydrophobicContact CB-CG 4.3Å; F741-E744 WeakPolarHBondContact CB-OE1 3.47Å; F741-E744 WeakPolarHBondContact CB-OE2 3.44Å; F741-E744 PolarHBondContact O-N 2.69Å; E744-G746 PolarHBondContact O-N 3.34Å
745K65.7Low78.9Confident205 Ų20554.2 Ų54.289%0.89128%0.277SS*.  trans-81.948.1177-70.3-176.7178.6174.40113.1L747K745-L747 PolarHBondContact O-N 2.9Å
746G59.4Low78.9Confident32 Ų3252.6 Ų52.633%0.3327%0.269SS..  trans-79.276.8-176.700000114.8E744 D748E744-G746 PolarHBondContact O-N 3.34Å; G746-D748 PolarHBondContact O-N 2.81Å
747L52.2Low79.1Confident154 Ų15447.2 Ų47.281%0.80625%0.249SC*.  trans-88.457.5177-80.9165.7000113.3K745K745-L747 PolarHBondContact O-N 2.9Å
748D59Low78.9Confident56 Ų5647.4 Ų47.430%0.29925%0.25SC..  trans-131123.9-176.7-163.230.1000116.2G746 G750 V752 C1031G746-D748 PolarHBondContact O-N 2.81Å; D748-G750 PolarHBondContact O-N 2.87Å; D748-V752 HydrophobicContact CB-CG2 4.22Å; D748-C1031 WeakPolarHBondContact OD1-CB 3.25Å; D748-C1031 PolarHBondContact OD1-SG 3.07Å; D748-C1031 WeakPolarHBondContact OD2-CB 3.26Å; D748-C1031 PolarHBondContact OD2-N 2.82Å; D748-C1031 PolarHBondContact OD2-SG 2.55Å
749Y61.6Low78.9Confident124 Ų12446.5 Ų46.549%0.48625%0.249SC..THydrogen-bonded Turntrans-72.94.4-159.6-69-82.1000116.7W738 Q753W738-Y749 HydrophobicContact CH2-CD1 4.33Å; W738-Y749 AromaticContact CH2-CE1 3.81Å; W738-Y749 HydrophobicContact CH2-CE1 3.81Å; W738-Y749 AromaticContact CZ3-CD1 3.95Å; W738-Y749 HydrophobicContact CZ3-CD1 3.95Å; W738-Y749 AromaticContact CZ3-CE1 3.71Å; W738-Y749 HydrophobicContact CZ3-CE1 3.71Å; Y749-Q753 PolarHBondContact O-NE2 3.35Å
750G68.4Low79.1Confident1 Ų146 Ų461%0.0125%0.247CC..THydrogen-bonded Turntrans-170.3-31-167.800000114.4D748 Q753 R754 C1031D748-G750 PolarHBondContact O-N 2.87Å; G750-Q753 WeakPolarHBondContact O-CB 3.41Å; G750-Q753 PolarHBondContact O-N 3.36Å; G750-R754 WeakPolarHBondContact O-CG 3.09Å; G750-R754 PolarHBondContact O-N 3.49Å; G750-R754 VanDerWaalsContact O-N 3.17Å; G750-C1031 WeakPolarHBondContact CA-SG 3.33Å; G750-C1031 PolarHBondContact N-SG 3.34Å
751G75.2Confident79.2Confident0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-58.3-61.1172.200000112.3Q753 R754 E755 T1030 C1031G751-Q753 PolarHBondContact O-N 2.74Å; G751-Q753 VanDerWaalsContact O-N 3.16Å; G751-R754 PolarHBondContact O-N 3.29Å; G751-E755 PolarHBondContact O-N 2.86Å; G751-T1030 WeakPolarHBondContact CA-OG1 3.17Å; G751-C1031 PolarHBondContact N-SG 3.16Å
752V84.2Confident79Confident7 Ų749.5 Ų49.54%0.04226%0.257CS..Hα-helixtrans-56.2-33.6178.8-164.10000112I739 F741 D748 W756I739-V752 HydrophobicContact CB-CG1 3.93Å; I739-V752 HydrophobicContact CG2-CG1 4.12Å; F741-V752 HydrophobicContact CD2-CG1 3.61Å; F741-V752 HydrophobicContact CE2-CG1 3.62Å; D748-V752 HydrophobicContact CB-CG2 4.22Å; V752-W756 VanDerWaalsContact O-CB 3.25Å; V752-W756 WeakPolarHBondContact O-CB 3.45Å; V752-W756 PolarHBondContact O-N 3.15Å
753Q87.1Confident79.1Confident18 Ų1847.1 Ų47.18%0.08424%0.244CC..Hα-helixtrans-63.5-47.8173-61.3170.9-6.200112.2L737 I739 Y749 G750 G751 W756 F757L737-Q753 HydrophobicContact CB-CG 4.25Å; L737-Q753 PolarHBondContact O-NE2 3.04Å; I739-Q753 HydrophobicContact CG1-CG 4.21Å; Y749-Q753 PolarHBondContact O-NE2 3.35Å; G750-Q753 WeakPolarHBondContact O-CB 3.41Å; G750-Q753 PolarHBondContact O-N 3.36Å; G751-Q753 PolarHBondContact O-N 2.74Å; G751-Q753 VanDerWaalsContact O-N 3.16Å; Q753-W756 PolarHBondContact O-N 2.77Å; Q753-F757 VanDerWaalsContact O-CD2 3.24Å; Q753-F757 WeakPolarHBondContact O-CD2 3.39Å; Q753-F757 PolarHBondContact O-N 3.16Å; Q753-F757 VanDerWaalsContact O-N 3.09Å
754R83.7Confident79.6Confident20 Ų2043.2 Ų43.28%0.07520%0.204CC..Hα-helixtrans-66.1-40.5-179.9-65.5-169-139.687.7-12.5110.8G750 G751 F757 F758 K814 T992 G993 W1006 T1030G750-R754 WeakPolarHBondContact O-CG 3.09Å; G750-R754 PolarHBondContact O-N 3.49Å; G750-R754 VanDerWaalsContact O-N 3.17Å; G751-R754 PolarHBondContact O-N 3.29Å; R754-F757 PolarHBondContact O-N 2.98Å; R754-F758 WeakPolarHBondContact O-CB 3.27Å; R754-F758 PolarHBondContact O-N 2.62Å; R754-K814 HydrophobicContact CG-CD 4.03Å; R754-T992 VanDerWaalsContact CD-O 3.28Å; R754-T992 WeakPolarHBondContact CD-O 3.36Å; R754-T992 PolarHBondContact NE-O 3.09Å; R754-T992 PolarHBondContact NH1-O 3.42Å; R754-G993 CarbonylContact C-O 3.56Å; R754-G993 VanDerWaalsContact C-O 3.3Å; R754-G993 VanDerWaalsContact CB-O 3.23Å; R754-G993 WeakPolarHBondContact CB-O 3.2Å; R754-W1006 PolarHBondContact NH2-O 3.23Å; R754-T1030 PolarHBondContact NH1-O 2.91Å; R754-T1030 PolarHBondContact NH2-O 3Å
755E86Confident80Confident4 Ų441 Ų412%0.01919%0.193CC..Hα-helixtrans-59.8-49.1173.5-175-177.8-138.700111.5R713 F741 G751 F757 F758 L759 G993 F1060R713-E755 IonicContact CZ-OE1 3.39Å; R713-E755 IonicContact CZ-OE2 2.81Å; R713-E755 VanDerWaalsContact NH1-CD 3.31Å; R713-E755 IonicContact NH1-OE1 2.76Å; R713-E755 PolarHBondContact NH1-OE1 2.78Å; R713-E755 IonicContact NH1-OE2 3.29Å; R713-E755 PolarHBondContact NH1-OE2 3.15Å; R713-E755 IonicContact NH2-OE1 2.62Å; R713-E755 PolarHBondContact NH2-OE1 2.88Å; R713-E755 IonicContact NH2-OE2 2.81Å; R713-E755 PolarHBondContact NH2-OE2 2.84Å; F741-E755 WeakPolarHBondContact CE2-OE2 3.23Å; G751-E755 PolarHBondContact O-N 2.86Å; E755-F757 PolarHBondContact O-N 3.31Å; E755-F758 CarbonylContact O-C 3.53Å; E755-F758 WeakPolarHBondContact O-CB 3.44Å; E755-F758 PolarHBondContact O-N 2.73Å; E755-F758 VanDerWaalsContact O-N 3.09Å; E755-L759 HydrophobicContact CG-CD1 3.64Å; E755-L759 HydrophobicContact CG-CG 3.9Å; E755-L759 WeakPolarHBondContact O-CG 3.43Å; E755-L759 PolarHBondContact O-N 3.49Å; E755-G993 PolarHBondContact N-O 2.93Å; E755-F1060 HydrophobicContact CB-CD2 4.16Å; E755-F1060 HydrophobicContact CB-CE2 3.82Å; E755-F1060 VanDerWaalsContact CD-CD2 3.42Å; E755-F1060 HydrophobicContact CG-CD2 4.24Å; E755-F1060 HydrophobicContact CG-CE2 3.93Å; E755-F1060 WeakPolarHBondContact OE2-CD2 3.32Å
756W92.1Very high80.6Confident0 Ų033.1 Ų33.10%016%0.161CC..Hα-helixtrans-58.6-45-180174.983.1000112.1L709 S720 I724 I739 F741 V752 Q753 F758 L760 V805 M808L709-W756 HydrophobicContact CD1-CH2 3.97Å; L709-W756 HydrophobicContact CD1-CZ2 3.69Å; S720-W756 PolarHBondContact OG-NE1 2.94Å; I724-W756 HydrophobicContact CD1-CH2 3.55Å; I724-W756 HydrophobicContact CD1-CZ2 3.65Å; I739-W756 HydrophobicContact CD1-CD2 4.01Å; I739-W756 HydrophobicContact CD1-CE3 4.21Å; I739-W756 HydrophobicContact CD1-CG 4.18Å; I739-W756 HydrophobicContact CG1-CB 4.09Å; I739-W756 HydrophobicContact CG1-CD2 4.45Å; I739-W756 HydrophobicContact CG1-CG 4.18Å; I739-W756 HydrophobicContact CG2-CB 3.96Å; I739-W756 HydrophobicContact CG2-CG 3.92Å; F741-W756 HydrophobicContact CZ-CB 4.36Å; V752-W756 VanDerWaalsContact O-CB 3.25Å; V752-W756 WeakPolarHBondContact O-CB 3.45Å; V752-W756 PolarHBondContact O-N 3.15Å; Q753-W756 PolarHBondContact O-N 2.77Å; W756-F758 VanDerWaalsContact C-N 3.35Å; W756-F758 PolarHBondContact O-N 3.32Å; W756-L760 HydrophobicContact CD2-CD2 4.43Å; W756-L760 HydrophobicContact CH2-CD2 3.71Å; W756-L760 HydrophobicContact CZ2-CD2 3.33Å; W756-L760 HydrophobicContact CZ3-CD2 4.4Å; W756-L760 WeakPolarHBondContact O-CB 3.39Å; W756-L760 PolarHBondContact O-N 3.26Å; W756-V805 HydrophobicContact CH2-CG1 4.39Å; W756-M808 HydrophobicContact CH2-CE 4.16Å; W756-M808 HydrophobicContact CZ3-CE 4.42Å
757F92.5Very high81.5Confident0 Ų033 Ų330%015%0.154CC..Hα-helixtrans-60.1-43.5173.6-84.7-72.1000112.1L737 Q753 R754 E755 S761 V805 M808 A809 K814 V816L737-F757 HydrophobicContact CD1-CE2 3.63Å; L737-F757 HydrophobicContact CD1-CZ 3.91Å; Q753-F757 VanDerWaalsContact O-CD2 3.24Å; Q753-F757 WeakPolarHBondContact O-CD2 3.39Å; Q753-F757 PolarHBondContact O-N 3.16Å; Q753-F757 VanDerWaalsContact O-N 3.09Å; R754-F757 PolarHBondContact O-N 2.98Å; E755-F757 PolarHBondContact O-N 3.31Å; F757-S761 WeakPolarHBondContact O-CB 3.27Å; F757-S761 PolarHBondContact O-N 2.99Å; F757-S761 PolarHBondContact O-OG 2.66Å; F757-V805 HydrophobicContact CD1-CG1 4.15Å; F757-V805 HydrophobicContact CE1-CG1 4.05Å; F757-V805 WeakPolarHBondContact CE1-O 3.45Å; F757-M808 HydrophobicContact CE1-CB 4.14Å; F757-M808 HydrophobicContact CZ-CB 3.94Å; F757-A809 HydrophobicContact CD1-CB 3.83Å; F757-A809 HydrophobicContact CE1-CB 3.61Å; F757-A809 HydrophobicContact CZ-CB 4.28Å; F757-K814 HydrophobicContact CD2-CB 3.56Å; F757-K814 HydrophobicContact CD2-CG 3.67Å; F757-K814 HydrophobicContact CE2-CB 3.78Å; F757-K814 HydrophobicContact CE2-CG 3.57Å; F757-K814 HydrophobicContact CG-CB 4.05Å; F757-K814 HydrophobicContact CZ-CB 4.39Å; F757-K814 HydrophobicContact CZ-CG 4.41Å; F757-V816 HydrophobicContact CD1-CG1 4.47Å
758F86.5Confident82.4Confident8 Ų832 Ų324%0.03514%0.141CC..Hα-helixtrans-62.4-58.5177.8173.2-100.4000112.2R754 E755 W756 L760 S761 R762 D817 Q989 S995R754-F758 WeakPolarHBondContact O-CB 3.27Å; R754-F758 PolarHBondContact O-N 2.62Å; E755-F758 CarbonylContact O-C 3.53Å; E755-F758 WeakPolarHBondContact O-CB 3.44Å; E755-F758 PolarHBondContact O-N 2.73Å; E755-F758 VanDerWaalsContact O-N 3.09Å; W756-F758 VanDerWaalsContact C-N 3.35Å; W756-F758 PolarHBondContact O-N 3.32Å; F758-L760 PolarHBondContact O-N 3.3Å; F758-S761 PolarHBondContact O-N 2.61Å; F758-S761 PolarHBondContact O-OG 3.37Å; F758-R762 VanDerWaalsContact CZ-CD 3.42Å; F758-R762 PolarHBondContact O-N 2.82Å; F758-D817 HydrophobicContact CD2-CB 3.76Å; F758-D817 HydrophobicContact CE2-CB 3.99Å; F758-D817 VanDerWaalsContact CE2-OD2 3.25Å; F758-D817 WeakPolarHBondContact CE2-OD2 3.41Å; F758-Q989 VanDerWaalsContact CE1-CD 3.45Å; F758-Q989 VanDerWaalsContact CE1-OE1 3.3Å; F758-S995 VanDerWaalsContact CE2-OG 3.26Å; F758-S995 WeakPolarHBondContact CE2-OG 3.16Å
759L89Confident83.3Confident44 Ų4430.3 Ų30.323%0.2313%0.13CC..Hα-helixtrans-60.2-44.4-179.1-67.1-178.9000111.8I716 F741 E755 R762 E763I716-L759 HydrophobicContact CD1-CB 3.6Å; I716-L759 HydrophobicContact CD1-CD1 4.43Å; F741-L759 HydrophobicContact CZ-CD1 4.21Å; E755-L759 HydrophobicContact CG-CD1 3.64Å; E755-L759 HydrophobicContact CG-CG 3.9Å; E755-L759 WeakPolarHBondContact O-CG 3.43Å; E755-L759 PolarHBondContact O-N 3.49Å; L759-R762 PolarHBondContact O-N 3.18Å; L759-E763 PolarHBondContact O-N 2.83Å
760L93.6Very high84.3Confident0 Ų024.5 Ų24.50%011%0.109CC..Hα-helixtrans-64.1-44.2177.7179.758.6000111.1I716 F717 W756 F758 R762 E763 M764 F801 V805I716-L760 HydrophobicContact CD1-CB 4.23Å; I716-L760 HydrophobicContact CG1-CB 4.43Å; F717-L760 HydrophobicContact CB-CD1 4.31Å; F717-L760 HydrophobicContact CD2-CD1 4.16Å; W756-L760 HydrophobicContact CD2-CD2 4.43Å; W756-L760 HydrophobicContact CH2-CD2 3.71Å; W756-L760 HydrophobicContact CZ2-CD2 3.33Å; W756-L760 HydrophobicContact CZ3-CD2 4.4Å; W756-L760 WeakPolarHBondContact O-CB 3.39Å; W756-L760 PolarHBondContact O-N 3.26Å; F758-L760 PolarHBondContact O-N 3.3Å; L760-R762 VanDerWaalsContact C-N 3.31Å; L760-R762 PolarHBondContact O-N 3.18Å; L760-E763 PolarHBondContact O-N 3.29Å; L760-M764 HydrophobicContact CD1-CG 3.82Å; L760-M764 HydrophobicContact CD1-SD 4.33Å; L760-M764 HydrophobicContact CD2-SD 4.37Å; L760-M764 HydrophobicContact CG-CE 4.16Å; L760-M764 HydrophobicContact CG-CG 3.93Å; L760-M764 HydrophobicContact CG-SD 3.98Å; L760-M764 WeakPolarHBondContact O-CB 3.38Å; L760-M764 VanDerWaalsContact O-CG 3.25Å; L760-M764 WeakPolarHBondContact O-CG 3.23Å; L760-M764 PolarHBondContact O-N 3.41Å; L760-F801 HydrophobicContact CD1-CZ 4.21Å; L760-F801 HydrophobicContact CD2-CZ 4.16Å; L760-V805 HydrophobicContact CD2-CG1 3.88Å; L760-V805 HydrophobicContact CD2-CG2 4.07Å
761S91.8Very high85.4Confident0 Ų024.6 Ų24.60%011%0.109CC..Hα-helixtrans-61-39.4178.464.60000112.7F757 F758 E763 M764 F765 D817F757-S761 WeakPolarHBondContact O-CB 3.27Å; F757-S761 PolarHBondContact O-N 2.99Å; F757-S761 PolarHBondContact O-OG 2.66Å; F758-S761 PolarHBondContact O-N 2.61Å; F758-S761 PolarHBondContact O-OG 3.37Å; S761-E763 VanDerWaalsContact C-N 3.35Å; S761-E763 PolarHBondContact O-N 2.88Å; S761-M764 PolarHBondContact O-N 3.46Å; S761-F765 VanDerWaalsContact O-CB 3.29Å; S761-F765 WeakPolarHBondContact O-CB 3.42Å; S761-F765 WeakPolarHBondContact O-CD2 3.08Å; S761-F765 WeakPolarHBondContact O-CG 3.47Å; S761-F765 PolarHBondContact O-N 2.98Å; S761-D817 WeakPolarHBondContact OG-CB 3.21Å; S761-D817 PolarHBondContact OG-N 3.4Å
762R83.7Confident86.1Confident138 Ų13824.7 Ų24.752%0.52111%0.109SC..Hα-helixtrans-62.6-37.5175.7-74-177.458.3175.7-2.9113.1F758 L759 L760 N766 D817F758-R762 VanDerWaalsContact CZ-CD 3.42Å; F758-R762 PolarHBondContact O-N 2.82Å; L759-R762 PolarHBondContact O-N 3.18Å; L760-R762 VanDerWaalsContact C-N 3.31Å; L760-R762 PolarHBondContact O-N 3.18Å; R762-N766 WeakPolarHBondContact O-CB 3.12Å; R762-N766 PolarHBondContact O-N 3.16Å; R762-D817 HydrophobicContact CG-CB 4.17Å
763E88.7Confident85.9Confident43 Ų4327 Ų2720%0.20112%0.12CC..Hα-helixtrans-77.8-42.3174.1-70-67.582.200112.6R488 I716 F717 L759 L760 S761 F765 N766 Y769R488-E763 IonicContact CZ-OE2 3.98Å; R488-E763 IonicContact NH1-OE2 2.73Å; R488-E763 PolarHBondContact NH1-OE2 2.9Å; R488-E763 IonicContact NH2-OE2 3.68Å; R488-E763 PolarHBondContact NH2-OE2 2.93Å; I716-E763 HydrophobicContact CG2-CG 4.26Å; F717-E763 HydrophobicContact CB-CB 4.1Å; L759-E763 PolarHBondContact O-N 2.83Å; L760-E763 PolarHBondContact O-N 3.29Å; S761-E763 VanDerWaalsContact C-N 3.35Å; S761-E763 PolarHBondContact O-N 2.88Å; E763-F765 PolarHBondContact O-N 3.32Å; E763-N766 VanDerWaalsContact O-CB 3.31Å; E763-N766 WeakPolarHBondContact O-CB 3.46Å; E763-N766 PolarHBondContact O-N 2.97Å; E763-Y769 VanDerWaalsContact O-CD2 3.32Å; E763-Y769 WeakPolarHBondContact O-CD2 3.44Å; E763-Y769 WeakPolarHBondContact O-CE2 3.5Å
764M91.8Very high85.1Confident0 Ų030.7 Ų30.70%013%0.133CC..Hα-helixtrans-57.6-36.6177.5-75-166.2-54.800112.9F717 L760 S761 F801 I802 V805F717-M764 HydrophobicContact CD2-CB 4.42Å; F717-M764 HydrophobicContact CD2-CG 3.71Å; F717-M764 HydrophobicContact CE2-CB 4.26Å; F717-M764 HydrophobicContact CE2-CG 3.76Å; L760-M764 HydrophobicContact CD1-CG 3.82Å; L760-M764 HydrophobicContact CD1-SD 4.33Å; L760-M764 HydrophobicContact CD2-SD 4.37Å; L760-M764 HydrophobicContact CG-CE 4.16Å; L760-M764 HydrophobicContact CG-CG 3.93Å; L760-M764 HydrophobicContact CG-SD 3.98Å; L760-M764 WeakPolarHBondContact O-CB 3.38Å; L760-M764 VanDerWaalsContact O-CG 3.25Å; L760-M764 WeakPolarHBondContact O-CG 3.23Å; L760-M764 PolarHBondContact O-N 3.41Å; S761-M764 PolarHBondContact O-N 3.46Å; M764-F801 HydrophobicContact CG-CE1 4.04Å; M764-F801 HydrophobicContact SD-CD1 4.39Å; M764-F801 HydrophobicContact SD-CE1 3.73Å; M764-F801 HydrophobicContact SD-CZ 4.15Å; M764-I802 HydrophobicContact CB-CG1 4.25Å; M764-I802 HydrophobicContact CG-CG1 4.2Å; M764-I802 HydrophobicContact SD-CB 4.3Å; M764-I802 HydrophobicContact SD-CG1 3.75Å; M764-I802 HydrophobicContact SD-CG2 4.42Å; M764-V805 HydrophobicContact CE-CB 4.02Å; M764-V805 HydrophobicContact CE-CG1 3.58Å; M764-V805 HydrophobicContact SD-CB 3.99Å; M764-V805 HydrophobicContact SD-CG1 4.04Å; M764-V805 HydrophobicContact SD-CG2 4.1Å
765F87.9Confident84.1Confident7 Ų730.1 Ų30.13%0.03113%0.132CC..THydrogen-bonded Turntrans-97.3-0.8-175.1-56.3-27.4000113.3S761 E763 P767 F772 L782 I802 V806 V816 F820S761-F765 VanDerWaalsContact O-CB 3.29Å; S761-F765 WeakPolarHBondContact O-CB 3.42Å; S761-F765 WeakPolarHBondContact O-CD2 3.08Å; S761-F765 WeakPolarHBondContact O-CG 3.47Å; S761-F765 PolarHBondContact O-N 2.98Å; E763-F765 PolarHBondContact O-N 3.32Å; F765-P767 WeakPolarHBondContact O-CD 3.48Å; F765-F772 HydrophobicContact CD1-CD2 4.25Å; F765-F772 AromaticContact CD1-CE2 3.7Å; F765-F772 HydrophobicContact CD1-CE2 3.7Å; F765-F772 HydrophobicContact CD1-CZ 4.07Å; F765-F772 HydrophobicContact CE1-CE2 4.34Å; F765-F772 HydrophobicContact CE1-CZ 4.37Å; F765-L782 HydrophobicContact CB-CD1 3.84Å; F765-L782 HydrophobicContact CG-CD1 4.45Å; F765-I802 HydrophobicContact CE1-CG2 3.74Å; F765-V806 HydrophobicContact CZ-CG2 4.23Å; F765-V816 HydrophobicContact CE2-CB 4.09Å; F765-V816 HydrophobicContact CE2-CG2 4.19Å; F765-V816 HydrophobicContact CZ-CB 4.42Å; F765-V816 HydrophobicContact CZ-CG2 4.37Å; F765-F820 HydrophobicContact CD1-CE1 4.42Å; F765-F820 AromaticContact CD1-CZ 3.96Å; F765-F820 HydrophobicContact CD1-CZ 3.96Å; F765-F820 HydrophobicContact CD2-CZ 4.24Å; F765-F820 HydrophobicContact CE1-CE1 4.47Å; F765-F820 AromaticContact CE1-CZ 3.66Å; F765-F820 HydrophobicContact CE1-CZ 3.66Å; F765-F820 HydrophobicContact CE2-CE2 4.33Å; F765-F820 AromaticContact CE2-CZ 3.93Å; F765-F820 HydrophobicContact CE2-CZ 3.93Å; F765-F820 HydrophobicContact CG-CZ 4.27Å; F765-F820 HydrophobicContact CZ-CE2 4.17Å; F765-F820 AromaticContact CZ-CZ 3.65Å; F765-F820 HydrophobicContact CZ-CZ 3.65Å
766N78.1Confident82.5Confident40 Ų4033.3 Ų33.321%0.21416%0.16CC..  trans-64.9116178.8-175.7-15.4000110.9R762 E763 Y768 Y769R762-N766 WeakPolarHBondContact O-CB 3.12Å; R762-N766 PolarHBondContact O-N 3.16Å; E763-N766 VanDerWaalsContact O-CB 3.31Å; E763-N766 WeakPolarHBondContact O-CB 3.46Å; E763-N766 PolarHBondContact O-N 2.97Å; N766-Y768 PolarHBondContact O-N 3.47Å; N766-Y768 WeakPolarHBondContact OD1-CD2 3.44Å; N766-Y768 PolarHBondContact OD1-N 3.22Å; N766-Y769 HydrophobicContact CB-CD2 4.17Å; N766-Y769 PolarHBondContact O-N 3.02Å
767P77.9Confident80Confident28 Ų2835.9 Ų35.918%0.18218%0.181CC..G310 helixtrans-61.7-16.7-176.1-30.942.4000115.4F765 Y769 G770 F772 Y774 L782F765-P767 WeakPolarHBondContact O-CD 3.48Å; P767-Y769 PolarHBondContact O-N 3.43Å; P767-G770 PolarHBondContact O-N 2.93Å; P767-F772 WeakPolarHBondContact CA-O 3.36Å; P767-F772 WeakPolarHBondContact CB-O 3.44Å; P767-Y774 HydrophobicContact CB-CE2 4.23Å; P767-Y774 HydrophobicContact CG-CD2 4.02Å; P767-Y774 HydrophobicContact CG-CE1 4.49Å; P767-Y774 HydrophobicContact CG-CE2 3.61Å; P767-L782 HydrophobicContact CG-CD2 4Å
768Y72.1Confident77.6Confident134 Ų13438 Ų3853%0.52519%0.192SC..G310 helixtrans-65.3-14.1173.3-65.5-58.6000113.9A481 M484 N766 G770A481-Y768 VanDerWaalsContact CA-O 3.24Å; A481-Y768 WeakPolarHBondContact CA-O 3.27Å; A481-Y768 VanDerWaalsContact CB-O 3.25Å; A481-Y768 WeakPolarHBondContact CB-O 3.33Å; M484-Y768 HydrophobicContact CE-CD1 4.35Å; M484-Y768 HydrophobicContact SD-CD1 4.12Å; M484-Y768 HydrophobicContact SD-CG 3.97Å; N766-Y768 PolarHBondContact O-N 3.47Å; N766-Y768 WeakPolarHBondContact OD1-CD2 3.44Å; N766-Y768 PolarHBondContact OD1-N 3.22Å; Y768-G770 VanDerWaalsContact C-N 3.29Å
769Y77.4Confident75.6Confident20 Ų2041.3 Ų41.38%0.07821%0.21CC..G310 helixtrans-80.2-6.4168-79.5-73.7000113.9Y485 R488 F717 E763 N766 P767 L771Y485-Y769 HydrophobicContact CD2-CD1 4.42Å; R488-Y769 PolarHBondContact NH1-OH 2.86Å; F717-Y769 AromaticContact CD1-CE1 3.75Å; F717-Y769 HydrophobicContact CD1-CE1 3.75Å; F717-Y769 HydrophobicContact CD1-CE2 4.12Å; F717-Y769 AromaticContact CD1-CZ 3.51Å; F717-Y769 WeakPolarHBondContact CD1-OH 3.37Å; F717-Y769 AromaticContact CE1-CD1 3.9Å; F717-Y769 HydrophobicContact CE1-CD1 3.9Å; F717-Y769 AromaticContact CE1-CE1 3.55Å; F717-Y769 HydrophobicContact CE1-CE1 3.55Å; F717-Y769 HydrophobicContact CE1-CE2 4.26Å; F717-Y769 HydrophobicContact CE1-CG 4.36Å; F717-Y769 AromaticContact CE1-CZ 3.74Å; E763-Y769 VanDerWaalsContact O-CD2 3.32Å; E763-Y769 WeakPolarHBondContact O-CD2 3.44Å; E763-Y769 WeakPolarHBondContact O-CE2 3.5Å; N766-Y769 HydrophobicContact CB-CD2 4.17Å; N766-Y769 PolarHBondContact O-N 3.02Å; P767-Y769 PolarHBondContact O-N 3.43Å; Y769-L771 PolarHBondContact O-N 3.31Å; Y769-L771 VanDerWaalsContact O-N 3.15Å
770G83.4Confident73.8Confident3 Ų347 Ų473%0.03123%0.23CC..SBendtrans70.42.1-179.600000115.3P767 Y768 N785 S788P767-G770 PolarHBondContact O-N 2.93Å; Y768-G770 VanDerWaalsContact C-N 3.29Å; G770-N785 WeakPolarHBondContact O-CB 3.09Å; G770-N785 PolarHBondContact O-ND2 3.02Å; G770-N785 VanDerWaalsContact O-ND2 3.14Å; G770-S788 WeakPolarHBondContact O-CA 3.25Å; G770-S788 WeakPolarHBondContact O-CB 3.44Å
771L90.6Very high72.3Confident3 Ų348.5 Ų48.52%0.01624%0.239CC..SBendtrans-76.4-42.7177-60177.4000111.8F717 Y769 N785 H795 Y798 F799 I802F717-L771 HydrophobicContact CZ-CD1 4.34Å; Y769-L771 PolarHBondContact O-N 3.31Å; Y769-L771 VanDerWaalsContact O-N 3.15Å; L771-N785 WeakPolarHBondContact O-CB 3.47Å; L771-N785 PolarHBondContact O-N 3.44Å; L771-H795 HydrophobicContact CD2-CB 3.82Å; L771-Y798 HydrophobicContact CD1-CG 4.31Å; L771-F799 HydrophobicContact CB-CE1 4.49Å; L771-F799 HydrophobicContact CB-CZ 4.04Å; L771-F799 HydrophobicContact CD2-CE2 4.04Å; L771-F799 HydrophobicContact CD2-CZ 4.29Å; L771-F799 WeakPolarHBondContact O-CZ 3.46Å; L771-I802 HydrophobicContact CD1-CD1 3.84Å
772F89.5Confident71.7Confident2 Ų249.1 Ų49.11%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-117.3158.7177.2-61.3-84.6000110.7F765 P767 L782 Q783 I784 F799 I802 F820F765-F772 HydrophobicContact CD1-CD2 4.25Å; F765-F772 AromaticContact CD1-CE2 3.7Å; F765-F772 HydrophobicContact CD1-CE2 3.7Å; F765-F772 HydrophobicContact CD1-CZ 4.07Å; F765-F772 HydrophobicContact CE1-CE2 4.34Å; F765-F772 HydrophobicContact CE1-CZ 4.37Å; P767-F772 WeakPolarHBondContact CA-O 3.36Å; P767-F772 WeakPolarHBondContact CB-O 3.44Å; F772-L782 HydrophobicContact CB-CD2 4.41Å; F772-Q783 WeakPolarHBondContact CA-O 3.26Å; F772-I784 HydrophobicContact CD1-CG1 4.35Å; F772-I784 HydrophobicContact CE1-CG1 3.99Å; F772-F799 HydrophobicContact CE1-CE1 4.22Å; F772-F799 HydrophobicContact CE2-CE1 4.4Å; F772-F799 AromaticContact CZ-CE1 3.96Å; F772-F799 HydrophobicContact CZ-CE1 3.96Å; F772-I802 HydrophobicContact CE2-CD1 3.97Å; F772-I802 HydrophobicContact CZ-CD1 4.43Å; F772-F820 HydrophobicContact CD1-CE1 4.04Å; F772-F820 HydrophobicContact CE1-CD1 4.33Å; F772-F820 AromaticContact CE1-CE1 3.62Å; F772-F820 HydrophobicContact CE1-CE1 3.62Å; F772-F820 HydrophobicContact CZ-CE1 4.13Å
773E80.5Confident71.8Confident56 Ų5643 Ų4326%0.26222%0.22SC..EExtended strand (participates in β ladder)trans-131.5159.717064.4-178.1-147.100108.6L782 Q783 N785E773-L782 WeakPolarHBondContact O-CA 3.39Å; E773-Q783 HydrophobicContact CG-CG 3.41Å; E773-Q783 VanDerWaalsContact CG-CG 3.41Å; E773-Q783 PolarHBondContact N-O 2.99Å; E773-Q783 PolarHBondContact O-N 3.36Å; E773-Q783 PolarHBondContact OE1-NE2 3.07Å; E773-N785 HydrophobicContact CB-CB 4.29Å; E773-N785 HydrophobicContact CG-CB 4.34Å
774Y71Confident71.9Confident94 Ų9441.4 Ų41.437%0.36921%0.212SC..EExtended strand (participates in β ladder)trans-72.5160.9171.4-65.4-78.3000111.2R152 P767 N779 T781 L782 Q783R152-Y774 VanDerWaalsContact NH2-CD1 3.27Å; R152-Y774 VanDerWaalsContact NH2-CZ 3.34Å; P767-Y774 HydrophobicContact CB-CE2 4.23Å; P767-Y774 HydrophobicContact CG-CD2 4.02Å; P767-Y774 HydrophobicContact CG-CE1 4.49Å; P767-Y774 HydrophobicContact CG-CE2 3.61Å; Y774-N779 WeakPolarHBondContact CD1-O 3.37Å; Y774-N779 WeakPolarHBondContact CE1-O 3.41Å; Y774-T781 CarbonylContact C-O 3.55Å; Y774-T781 WeakPolarHBondContact CA-O 3.42Å; Y774-L782 HydrophobicContact CD1-CD2 4.08Å; Y774-L782 HydrophobicContact CE1-CD2 4.09Å; Y774-Q783 PolarHBondContact O-NE2 2.92Å; Y774-Q783 VanDerWaalsContact O-NE2 3.15Å
775S62.3Low71.8Confident8 Ų842 Ų426%0.05622%0.216CC..  trans-66.5165167.5750000111.9A777 D778 T781S775-A777 VanDerWaalsContact C-N 3.3Å; S775-A777 PolarHBondContact OG-N 3.13Å; S775-D778 PolarHBondContact OG-N 3.44Å; S775-D778 PolarHBondContact OG-OD2 3.47Å; S775-T781 VanDerWaalsContact CB-OG1 3.24Å; S775-T781 WeakPolarHBondContact CB-OG1 3.33Å; S775-T781 PolarHBondContact N-O 3.13Å; S775-T781 PolarHBondContact OG-OG1 2.78Å
776A52.4Low71.9Confident72 Ų7242.8 Ų42.860%0.59522%0.221SC*.SBendtrans-74.3-23.7172.600000112.3V841 D842A776-V841 PolarHBondContact N-O 2.84Å; A776-D842 HydrophobicContact CB-CB 4.46Å
777A39Very low72.3Confident53 Ų5343.4 Ų43.444%0.43822%0.224SC..SBendtrans-82.2-32.4-175.300000114.3S775 V841S775-A777 VanDerWaalsContact C-N 3.3Å; S775-A777 PolarHBondContact OG-N 3.13Å; A777-V841 WeakPolarHBondContact CB-O 3.23Å; A777-V841 PolarHBondContact N-O 3.18Å
778D43.2Very low72.9Confident45 Ų4542.1 Ų42.124%0.24122%0.216CC..  trans-150.7-174.9-170.476.371.3000115.6R152 S775 Y780 T781R152-D778 PolarHBondContact NH1-O 2.96Å; S775-D778 PolarHBondContact OG-N 3.44Å; S775-D778 PolarHBondContact OG-OD2 3.47Å; D778-Y780 WeakPolarHBondContact OD1-CA 3.37Å; D778-Y780 PolarHBondContact OD1-N 3.35Å; D778-T781 VanDerWaalsContact CG-OG1 3.22Å; D778-T781 PolarHBondContact OD1-N 2.91Å; D778-T781 PolarHBondContact OD1-OG1 2.66Å; D778-T781 WeakPolarHBondContact OD2-CG2 3.36Å; D778-T781 PolarHBondContact OD2-OG1 2.82Å
779N44.3Very low73.5Confident78 Ų7837.1 Ų37.142%0.41721%0.205SC..SBendtrans-105.64.2-172.4-66.3-1.7000115.4R152 Y774R152-N779 WeakPolarHBondContact CD-OD1 3.37Å; R152-N779 VanDerWaalsContact CZ-OD1 3.28Å; R152-N779 PolarHBondContact NE-OD1 3.05Å; R152-N779 PolarHBondContact NH1-OD1 3.49Å; R152-N779 PolarHBondContact NH2-O 3.3Å; Y774-N779 WeakPolarHBondContact CD1-O 3.37Å; Y774-N779 WeakPolarHBondContact CE1-O 3.41Å
780Y51.5Low73.6Confident163 Ų16339.8 Ų39.864%0.63922%0.219SC*.SBendtrans-132.7-33.6-164.1-57-78.4000112.8D778D778-Y780 WeakPolarHBondContact OD1-CA 3.37Å; D778-Y780 PolarHBondContact OD1-N 3.35Å
781T61.7Low73.1Confident32 Ų3240.3 Ų40.320%0.19622%0.223CC..EExtended strand (participates in β ladder)trans-81.2137.217760.40000111.7Y774 S775 D778 F819Y774-T781 CarbonylContact C-O 3.55Å; Y774-T781 WeakPolarHBondContact CA-O 3.42Å; S775-T781 VanDerWaalsContact CB-OG1 3.24Å; S775-T781 WeakPolarHBondContact CB-OG1 3.33Å; S775-T781 PolarHBondContact N-O 3.13Å; S775-T781 PolarHBondContact OG-OG1 2.78Å; D778-T781 VanDerWaalsContact CG-OG1 3.22Å; D778-T781 PolarHBondContact OD1-N 2.91Å; D778-T781 PolarHBondContact OD1-OG1 2.66Å; D778-T781 WeakPolarHBondContact OD2-CG2 3.36Å; D778-T781 PolarHBondContact OD2-OG1 2.82Å; T781-F819 CarbonylContact C-O 3.43Å; T781-F819 WeakPolarHBondContact CA-O 3.49Å
782L78.6Confident72.4Confident12 Ų1240.8 Ų40.86%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-111.6141.7-173.3-63.8165000110.7F765 P767 F772 E773 Y774 F819 F820 I821F765-L782 HydrophobicContact CB-CD1 3.84Å; F765-L782 HydrophobicContact CG-CD1 4.45Å; P767-L782 HydrophobicContact CG-CD2 4Å; F772-L782 HydrophobicContact CB-CD2 4.41Å; E773-L782 WeakPolarHBondContact O-CA 3.39Å; Y774-L782 HydrophobicContact CD1-CD2 4.08Å; Y774-L782 HydrophobicContact CE1-CD2 4.09Å; L782-F819 WeakPolarHBondContact CB-O 3.08Å; L782-F819 PolarHBondContact N-O 3.19Å; L782-F820 HydrophobicContact CB-CD1 4.06Å; L782-F820 HydrophobicContact CB-CE1 4.32Å; L782-F820 HydrophobicContact CD1-CE1 4.46Å; L782-F820 CarbonylContact O-C 3.57Å; L782-F820 WeakPolarHBondContact O-CA 3.35Å; L782-I821 PolarHBondContact O-N 3.04Å
783Q85Confident72.2Confident11 Ų1149.6 Ų49.65%0.05127%0.267CS..EExtended strand (participates in β ladder)trans-128.1155168.663.4-178.1-24.200109.2F772 E773 Y774 N785 I821F772-Q783 WeakPolarHBondContact CA-O 3.26Å; E773-Q783 HydrophobicContact CG-CG 3.41Å; E773-Q783 VanDerWaalsContact CG-CG 3.41Å; E773-Q783 PolarHBondContact N-O 2.99Å; E773-Q783 PolarHBondContact O-N 3.36Å; E773-Q783 PolarHBondContact OE1-NE2 3.07Å; Y774-Q783 PolarHBondContact O-NE2 2.92Å; Y774-Q783 VanDerWaalsContact O-NE2 3.15Å; Q783-N785 PolarHBondContact O-N 3.25Å; Q783-I821 HydrophobicContact CB-CD1 3.56Å; Q783-I821 HydrophobicContact CB-CG1 3.81Å; Q783-I821 HydrophobicContact CB-CG2 4.33Å
784I92.7Very high72.6Confident8 Ų849.9 Ų49.94%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-61.2129.7172.3-67.4175.8000108.1F772 P786 F799 F824 V909 Q912 M913F772-I784 HydrophobicContact CD1-CG1 4.35Å; F772-I784 HydrophobicContact CE1-CG1 3.99Å; I784-P786 VanDerWaalsContact O-CD 3.29Å; I784-P786 WeakPolarHBondContact O-CD 3.15Å; I784-F799 HydrophobicContact CD1-CE1 4.35Å; I784-F799 HydrophobicContact CG1-CE1 4.07Å; I784-F799 HydrophobicContact CG2-CE1 4.1Å; I784-F799 HydrophobicContact CG2-CZ 3.8Å; I784-F824 HydrophobicContact CD1-CD2 4.33Å; I784-F824 HydrophobicContact CD1-CE2 3.99Å; I784-F824 HydrophobicContact CG1-CD2 4.31Å; I784-F824 HydrophobicContact CG1-CE2 4.07Å; I784-V909 HydrophobicContact CB-CB 4.14Å; I784-V909 HydrophobicContact CB-CG1 3.94Å; I784-V909 HydrophobicContact CG2-CB 3.9Å; I784-V909 HydrophobicContact CG2-CG1 3.75Å; I784-Q912 HydrophobicContact CD1-CB 4.12Å; I784-Q912 HydrophobicContact CG2-CB 3.61Å; I784-Q912 HydrophobicContact CG2-CG 3.8Å; I784-M913 HydrophobicContact CD1-CB 4.32Å; I784-M913 HydrophobicContact CD1-CE 4Å
785N89.5Confident73.6Confident14 Ų1446.4 Ų46.48%0.07526%0.255CS..  trans-71117.8172.9-179.9-13.8000109.2G770 L771 E773 Q783 L787 S788G770-N785 WeakPolarHBondContact O-CB 3.09Å; G770-N785 PolarHBondContact O-ND2 3.02Å; G770-N785 VanDerWaalsContact O-ND2 3.14Å; L771-N785 WeakPolarHBondContact O-CB 3.47Å; L771-N785 PolarHBondContact O-N 3.44Å; E773-N785 HydrophobicContact CB-CB 4.29Å; E773-N785 HydrophobicContact CG-CB 4.34Å; Q783-N785 PolarHBondContact O-N 3.25Å; N785-L787 PolarHBondContact O-N 2.91Å; N785-L787 WeakPolarHBondContact OD1-CA 3Å; N785-L787 WeakPolarHBondContact OD1-CB 3.45Å; N785-L787 PolarHBondContact OD1-N 3.17Å; N785-S788 VanDerWaalsContact O-CB 3.27Å; N785-S788 WeakPolarHBondContact O-CB 3.27Å; N785-S788 PolarHBondContact O-N 2.7Å; N785-S788 PolarHBondContact O-OG 2.89Å
786P89.1Confident75.2Confident22 Ų2249.1 Ų49.114%0.14327%0.269CS..THydrogen-bonded Turntrans-56-36.4176-26.336.9000113.1I784 S788 R908 V909 Q912I784-P786 VanDerWaalsContact O-CD 3.29Å; I784-P786 WeakPolarHBondContact O-CD 3.15Å; P786-S788 VanDerWaalsContact C-N 3.27Å; P786-S788 PolarHBondContact O-N 3.06Å; P786-R908 HydrophobicContact CB-CB 4.13Å; P786-R908 HydrophobicContact CG-CB 4.35Å; P786-V909 HydrophobicContact CB-CG1 4.47Å; P786-V909 HydrophobicContact CG-CG1 4.1Å; P786-Q912 PolarHBondContact O-NE2 2.9Å
787L86.1Confident77.2Confident54 Ų5449.4 Ų49.428%0.28326%0.257SS..THydrogen-bonded Turntrans-85.94.8-174.2-45.9-173.8000112.7N785 G789 M790 A791N785-L787 PolarHBondContact O-N 2.91Å; N785-L787 WeakPolarHBondContact OD1-CA 3Å; N785-L787 WeakPolarHBondContact OD1-CB 3.45Å; N785-L787 PolarHBondContact OD1-N 3.17Å; L787-G789 PolarHBondContact O-N 2.88Å; L787-G789 VanDerWaalsContact O-N 3.1Å; L787-M790 HydrophobicContact CB-CE 3.7Å; L787-M790 HydrophobicContact CD1-CE 4.12Å; L787-M790 HydrophobicContact CD2-CE 3.7Å; L787-M790 HydrophobicContact CG-CE 4.02Å; L787-M790 WeakPolarHBondContact O-CB 3.5Å; L787-M790 PolarHBondContact O-N 2.84Å; L787-A791 PolarHBondContact O-N 3.15Å
788S90Very high79.9Confident0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-51-35.3-179.344.10000114G770 N785 P786 M790 A791 N792 H795 Q912G770-S788 WeakPolarHBondContact O-CA 3.25Å; G770-S788 WeakPolarHBondContact O-CB 3.44Å; N785-S788 VanDerWaalsContact O-CB 3.27Å; N785-S788 WeakPolarHBondContact O-CB 3.27Å; N785-S788 PolarHBondContact O-N 2.7Å; N785-S788 PolarHBondContact O-OG 2.89Å; P786-S788 VanDerWaalsContact C-N 3.27Å; P786-S788 PolarHBondContact O-N 3.06Å; S788-M790 PolarHBondContact O-N 3.18Å; S788-A791 PolarHBondContact O-N 3.39Å; S788-N792 PolarHBondContact O-N 3.33Å; S788-H795 PolarHBondContact OG-ND1 3.11Å; S788-Q912 PolarHBondContact OG-NE2 2.89Å
789G86.4Confident82.5Confident29 Ų2945.2 Ų45.230%0.29923%0.226SC..Hα-helixtrans-70.2-12.9176.800000115.3L787 H795L787-G789 PolarHBondContact O-N 2.88Å; L787-G789 VanDerWaalsContact O-N 3.1Å; G789-H795 VanDerWaalsContact CA-CD2 3.42Å; G789-H795 WeakPolarHBondContact CA-CD2 3.14Å; G789-H795 WeakPolarHBondContact CA-NE2 3.46Å; G789-H795 PolarHBondContact N-CE1 3.22Å; G789-H795 PolarHBondContact N-ND1 3.03Å
790M79.3Confident85Confident77 Ų7743 Ų4338%0.37921%0.213SC..Hα-helixtrans-95.9-21.7173.1-54.9-167.1-62.500112.2Q482 L787 S788 F871Q482-M790 PolarHBondContact NE2-O 3.38Å; L787-M790 HydrophobicContact CB-CE 3.7Å; L787-M790 HydrophobicContact CD1-CE 4.12Å; L787-M790 HydrophobicContact CD2-CE 3.7Å; L787-M790 HydrophobicContact CG-CE 4.02Å; L787-M790 WeakPolarHBondContact O-CB 3.5Å; L787-M790 PolarHBondContact O-N 2.84Å; S788-M790 PolarHBondContact O-N 3.18Å; M790-F871 HydrophobicContact CB-CZ 4.37Å; M790-F871 HydrophobicContact CE-CD2 4.5Å; M790-F871 HydrophobicContact CE-CE2 3.48Å; M790-F871 VanDerWaalsContact CE-CE2 3.48Å; M790-F871 HydrophobicContact CE-CZ 3.51Å; M790-F871 HydrophobicContact SD-CE2 3.55Å; M790-F871 VanDerWaalsContact SD-CE2 3.55Å; M790-F871 HydrophobicContact SD-CZ 3.85Å
791A71.6Confident87.2Confident13 Ų1335.3 Ų35.311%0.10718%0.182CC..Hα-helixtrans-77.7-37.9167.800000111.5L787 S788L787-A791 PolarHBondContact O-N 3.15Å; S788-A791 PolarHBondContact O-N 3.39Å
792N76.7Confident88.8Confident13 Ų1333.8 Ų33.87%0.0717%0.173CC..  trans-148.4114.6-176.2-172.6-7.6000111.5Y485 S788 E794 H795 Y798Y485-N792 HydrophobicContact CE1-CB 4.4Å; Y485-N792 VanDerWaalsContact CZ-ND2 3.33Å; Y485-N792 PolarHBondContact OH-ND2 3.24Å; Y485-N792 PolarHBondContact OH-OD1 3.26Å; S788-N792 PolarHBondContact O-N 3.33Å; N792-E794 PolarHBondContact O-N 3.2Å; N792-E794 VanDerWaalsContact O-N 3.13Å; N792-E794 PolarHBondContact OD1-N 2.97Å; N792-H795 HydrophobicContact CB-CB 4.44Å; N792-H795 VanDerWaalsContact O-CB 3.28Å; N792-H795 WeakPolarHBondContact O-CB 3.21Å; N792-H795 PolarHBondContact O-CD2 3.08Å; N792-H795 PolarHBondContact O-N 2.67Å; N792-Y798 WeakPolarHBondContact ND2-CE2 3.46Å
793E84.8Confident89.7Confident188 Ų18833.2 Ų33.288%0.87917%0.17SC*.THydrogen-bonded Turntrans-57.7-27.8176.9-62.7-177.1172.200112.6H795E793-H795 VanDerWaalsContact C-N 3.34Å
794E88.4Confident90.3Very high62 Ų6233.3 Ų33.329%0.2917%0.17SC..THydrogen-bonded Turntrans-89.87.9-179.8-56.2-162.496.200113.3R489 N792 L796 K797 Y798R489-E794 IonicContact NH2-OE2 2.75Å; N792-E794 PolarHBondContact O-N 3.2Å; N792-E794 VanDerWaalsContact O-N 3.13Å; N792-E794 PolarHBondContact OD1-N 2.97Å; E794-L796 PolarHBondContact O-N 3.49Å; E794-K797 HydrophobicContact CB-CD 4.2Å; E794-K797 HydrophobicContact CB-CG 4.4Å; E794-K797 WeakPolarHBondContact O-CA 3.43Å; E794-K797 VanDerWaalsContact O-CB 3.27Å; E794-K797 WeakPolarHBondContact O-CB 3.41Å; E794-K797 PolarHBondContact O-N 2.92Å; E794-K797 WeakPolarHBondContact OE1-CE 3.49Å; E794-K797 IonicContact OE1-NZ 2.74Å; E794-K797 PolarHBondContact OE1-NZ 3.05Å; E794-Y798 HydrophobicContact CB-CD2 4.43Å; E794-Y798 HydrophobicContact CB-CE2 4.16Å; E794-Y798 WeakPolarHBondContact O-CD2 3.3Å; E794-Y798 PolarHBondContact O-N 3.4Å
795H93.4Very high90.5Very high21 Ų2133 Ų3310%0.09717%0.168CC..Hα-helixtrans-49.7-38.4-173.274.2133.6000114.4L771 S788 G789 N792 E793 K797 Y798 F799L771-H795 HydrophobicContact CD2-CB 3.82Å; S788-H795 PolarHBondContact OG-ND1 3.11Å; G789-H795 VanDerWaalsContact CA-CD2 3.42Å; G789-H795 WeakPolarHBondContact CA-CD2 3.14Å; G789-H795 WeakPolarHBondContact CA-NE2 3.46Å; G789-H795 PolarHBondContact N-CE1 3.22Å; G789-H795 PolarHBondContact N-ND1 3.03Å; N792-H795 HydrophobicContact CB-CB 4.44Å; N792-H795 VanDerWaalsContact O-CB 3.28Å; N792-H795 WeakPolarHBondContact O-CB 3.21Å; N792-H795 PolarHBondContact O-CD2 3.08Å; N792-H795 PolarHBondContact O-N 2.67Å; E793-H795 VanDerWaalsContact C-N 3.34Å; H795-K797 VanDerWaalsContact C-N 3.28Å; H795-K797 PolarHBondContact O-N 3.21Å; H795-Y798 WeakPolarHBondContact O-CB 3.37Å; H795-Y798 PolarHBondContact O-N 3.34Å; H795-Y798 VanDerWaalsContact O-N 3.12Å; H795-F799 HydrophobicContact CB-CD2 4.44Å; H795-F799 HydrophobicContact CB-CE2 4.2Å; H795-F799 AromaticContact ND1-CE2 3.78Å; H795-F799 WeakPolarHBondContact O-CD2 3.26Å; H795-F799 PolarHBondContact O-N 2.83Å
796L95.8Very high90.8Very high65 Ų6532.3 Ų32.334%0.3417%0.165SC..Hα-helixtrans-63.3-31177.5-57.1-174.8000113E794 F799 K800 K911 Q912 A915E794-L796 PolarHBondContact O-N 3.49Å; L796-F799 PolarHBondContact O-N 3.43Å; L796-K800 PolarHBondContact O-N 2.99Å; L796-K911 HydrophobicContact CD1-CB 4.46Å; L796-K911 HydrophobicContact CD2-CB 3.97Å; L796-Q912 HydrophobicContact CD2-CG 4.27Å; L796-A915 HydrophobicContact CB-CB 4.2Å; L796-A915 HydrophobicContact CD2-CB 4.38Å; L796-A915 WeakPolarHBondContact O-CB 3.45Å
797K95.1Very high91.2Very high78 Ų7831.2 Ų31.234%0.33916%0.158SC..Hα-helixtrans-66.1-43.7173.4-54.8-169.9-179174.30110.7F721 Y725 E794 H795 K800 F801F721-K797 HydrophobicContact CE2-CB 4.28Å; F721-K797 HydrophobicContact CZ-CB 4.09Å; Y725-K797 HydrophobicContact CD2-CB 4.4Å; Y725-K797 HydrophobicContact CE1-CB 4.42Å; Y725-K797 HydrophobicContact CE1-CD 4.13Å; Y725-K797 HydrophobicContact CE2-CB 3.72Å; Y725-K797 HydrophobicContact CE2-CG 4.29Å; Y725-K797 WeakPolarHBondContact OH-CG 3.42Å; E794-K797 HydrophobicContact CB-CD 4.2Å; E794-K797 HydrophobicContact CB-CG 4.4Å; E794-K797 WeakPolarHBondContact O-CA 3.43Å; E794-K797 VanDerWaalsContact O-CB 3.27Å; E794-K797 WeakPolarHBondContact O-CB 3.41Å; E794-K797 PolarHBondContact O-N 2.92Å; E794-K797 WeakPolarHBondContact OE1-CE 3.49Å; E794-K797 IonicContact OE1-NZ 2.74Å; E794-K797 PolarHBondContact OE1-NZ 3.05Å; H795-K797 VanDerWaalsContact C-N 3.28Å; H795-K797 PolarHBondContact O-N 3.21Å; K797-K800 PolarHBondContact O-N 2.71Å; K797-F801 PolarHBondContact O-N 2.79Å
798Y95.4Very high91.6Very high9 Ų928.7 Ų28.74%0.03514%0.144CC..Hα-helixtrans-63.8-43.3175.1-70-83.9000111.3F717 E718 F721 L771 N792 E794 H795 K800 F801 I802F717-Y798 AromaticContact CE1-CD1 3.95Å; F717-Y798 HydrophobicContact CE1-CD1 3.95Å; F717-Y798 AromaticContact CE1-CE1 3.67Å; F717-Y798 HydrophobicContact CE1-CE1 3.67Å; F717-Y798 HydrophobicContact CE2-CD1 4.25Å; F717-Y798 AromaticContact CZ-CD1 3.44Å; F717-Y798 HydrophobicContact CZ-CD1 3.44Å; F717-Y798 VanDerWaalsContact CZ-CD1 3.44Å; F717-Y798 AromaticContact CZ-CE1 3.68Å; F717-Y798 HydrophobicContact CZ-CE1 3.68Å; F717-Y798 HydrophobicContact CZ-CG 4.5Å; E718-Y798 PolarHBondContact OE2-OH 3Å; F721-Y798 HydrophobicContact CD1-CE1 4.14Å; F721-Y798 AromaticContact CD2-CD1 3.83Å; F721-Y798 HydrophobicContact CD2-CD1 3.83Å; F721-Y798 AromaticContact CD2-CE1 3.93Å; F721-Y798 HydrophobicContact CD2-CE1 3.93Å; F721-Y798 HydrophobicContact CE1-CE1 4.27Å; F721-Y798 AromaticContact CE2-CD1 3.91Å; F721-Y798 HydrophobicContact CE2-CD1 3.91Å; F721-Y798 HydrophobicContact CE2-CE1 4.08Å; F721-Y798 HydrophobicContact CE2-CG 4.21Å; F721-Y798 HydrophobicContact CG-CD1 4.33Å; F721-Y798 AromaticContact CG-CE1 3.98Å; F721-Y798 HydrophobicContact CG-CE1 3.98Å; F721-Y798 HydrophobicContact CZ-CD1 4.45Å; F721-Y798 HydrophobicContact CZ-CE1 4.25Å; F721-Y798 HydrophobicContact CZ-CE2 4.44Å; L771-Y798 HydrophobicContact CD1-CG 4.31Å; N792-Y798 WeakPolarHBondContact ND2-CE2 3.46Å; E794-Y798 HydrophobicContact CB-CD2 4.43Å; E794-Y798 HydrophobicContact CB-CE2 4.16Å; E794-Y798 WeakPolarHBondContact O-CD2 3.3Å; E794-Y798 PolarHBondContact O-N 3.4Å; H795-Y798 WeakPolarHBondContact O-CB 3.37Å; H795-Y798 PolarHBondContact O-N 3.34Å; H795-Y798 VanDerWaalsContact O-N 3.12Å; Y798-K800 PolarHBondContact O-N 3.24Å; Y798-F801 WeakPolarHBondContact O-CB 3.24Å; Y798-F801 PolarHBondContact O-N 2.72Å; Y798-I802 WeakPolarHBondContact O-CB 3.3Å; Y798-I802 WeakPolarHBondContact O-CD1 3.39Å; Y798-I802 WeakPolarHBondContact O-CG1 3.28Å; Y798-I802 PolarHBondContact O-N 3.31Å
799F97Very high91.8Very high1 Ų128.7 Ų28.70%0.00414%0.144CC..Hα-helixtrans-59.4-42.6173.4-75.6-67000112.7L771 F772 I784 H795 L796 I802 G803 Q912 A915 F916L771-F799 HydrophobicContact CB-CE1 4.49Å; L771-F799 HydrophobicContact CB-CZ 4.04Å; L771-F799 HydrophobicContact CD2-CE2 4.04Å; L771-F799 HydrophobicContact CD2-CZ 4.29Å; L771-F799 WeakPolarHBondContact O-CZ 3.46Å; F772-F799 HydrophobicContact CE1-CE1 4.22Å; F772-F799 HydrophobicContact CE2-CE1 4.4Å; F772-F799 AromaticContact CZ-CE1 3.96Å; F772-F799 HydrophobicContact CZ-CE1 3.96Å; I784-F799 HydrophobicContact CD1-CE1 4.35Å; I784-F799 HydrophobicContact CG1-CE1 4.07Å; I784-F799 HydrophobicContact CG2-CE1 4.1Å; I784-F799 HydrophobicContact CG2-CZ 3.8Å; H795-F799 HydrophobicContact CB-CD2 4.44Å; H795-F799 HydrophobicContact CB-CE2 4.2Å; H795-F799 AromaticContact ND1-CE2 3.78Å; H795-F799 WeakPolarHBondContact O-CD2 3.26Å; H795-F799 PolarHBondContact O-N 2.83Å; L796-F799 PolarHBondContact O-N 3.43Å; F799-I802 PolarHBondContact O-N 3.45Å; F799-G803 PolarHBondContact O-N 2.73Å; F799-Q912 HydrophobicContact CD1-CB 4.29Å; F799-Q912 HydrophobicContact CD2-CB 3.69Å; F799-Q912 HydrophobicContact CD2-CG 3.72Å; F799-Q912 HydrophobicContact CE1-CB 4.26Å; F799-Q912 HydrophobicContact CE2-CB 3.66Å; F799-Q912 HydrophobicContact CE2-CG 3.36Å; F799-Q912 HydrophobicContact CG-CB 4.04Å; F799-Q912 HydrophobicContact CZ-CB 3.95Å; F799-Q912 HydrophobicContact CZ-CG 3.91Å; F799-A915 HydrophobicContact CB-CB 4Å; F799-F916 HydrophobicContact CB-CB 4.39Å; F799-F916 WeakPolarHBondContact O-CA 3.18Å
800K96.7Very high92.1Very high32 Ų3227.5 Ų27.514%0.13913%0.132CC..Hα-helixtrans-64.6-39.4174.3-172.4171.7-174.31770112.9Y725 L796 K797 Y798 G803 R804 A915 E918 G919 D922Y725-K800 HydrophobicContact CE2-CB 4.4Å; L796-K800 PolarHBondContact O-N 2.99Å; K797-K800 PolarHBondContact O-N 2.71Å; Y798-K800 PolarHBondContact O-N 3.24Å; K800-G803 PolarHBondContact O-N 3.3Å; K800-R804 PolarHBondContact O-N 3.04Å; K800-A915 VanDerWaalsContact CA-O 3.24Å; K800-A915 WeakPolarHBondContact CA-O 3.38Å; K800-A915 WeakPolarHBondContact CB-O 3.18Å; K800-E918 HydrophobicContact CD-CG 4.23Å; K800-E918 WeakPolarHBondContact CE-OE1 3.47Å; K800-E918 VanDerWaalsContact NZ-CD 3.32Å; K800-E918 IonicContact NZ-OE1 2.75Å; K800-E918 PolarHBondContact NZ-OE1 3.5Å; K800-G919 WeakPolarHBondContact O-CA 3.25Å; K800-D922 WeakPolarHBondContact CE-OD2 2.98Å; K800-D922 IonicContact NZ-OD2 3.74Å
801F96.8Very high92.8Very high0 Ų025.3 Ų25.30%012%0.119CC..Hα-helixtrans-61.7-48.5172.7159-109.4000112.1F717 S720 F721 I724 Y725 L760 M764 K797 Y798 G803 R804 V805F717-F801 HydrophobicContact CD2-CE1 4.05Å; F717-F801 HydrophobicContact CE2-CD1 4.43Å; F717-F801 AromaticContact CE2-CE1 3.91Å; F717-F801 HydrophobicContact CE2-CE1 3.91Å; S720-F801 WeakPolarHBondContact O-CE2 3.43Å; F721-F801 HydrophobicContact CB-CD1 4.32Å; F721-F801 HydrophobicContact CB-CE1 4.19Å; F721-F801 HydrophobicContact CB-CE2 4.4Å; F721-F801 HydrophobicContact CB-CG 4.47Å; F721-F801 HydrophobicContact CB-CZ 4.23Å; F721-F801 HydrophobicContact CD2-CB 3.62Å; F721-F801 AromaticContact CD2-CD1 3.74Å; F721-F801 HydrophobicContact CD2-CD1 3.74Å; F721-F801 HydrophobicContact CD2-CD2 4.2Å; F721-F801 HydrophobicContact CD2-CE1 4.44Å; F721-F801 AromaticContact CD2-CG 3.59Å; F721-F801 HydrophobicContact CD2-CG 3.59Å; F721-F801 HydrophobicContact CE2-CB 3.9Å; F721-F801 HydrophobicContact CE2-CG 4.36Å; I724-F801 HydrophobicContact CB-CD2 3.99Å; I724-F801 HydrophobicContact CB-CE2 3.93Å; I724-F801 HydrophobicContact CD1-CE2 4.18Å; I724-F801 HydrophobicContact CG2-CD2 4.05Å; I724-F801 HydrophobicContact CG2-CE2 4.27Å; Y725-F801 HydrophobicContact CD2-CB 4.31Å; L760-F801 HydrophobicContact CD1-CZ 4.21Å; L760-F801 HydrophobicContact CD2-CZ 4.16Å; M764-F801 HydrophobicContact CG-CE1 4.04Å; M764-F801 HydrophobicContact SD-CD1 4.39Å; M764-F801 HydrophobicContact SD-CE1 3.73Å; M764-F801 HydrophobicContact SD-CZ 4.15Å; K797-F801 PolarHBondContact O-N 2.79Å; Y798-F801 WeakPolarHBondContact O-CB 3.24Å; Y798-F801 PolarHBondContact O-N 2.72Å; F801-G803 VanDerWaalsContact C-N 3.28Å; F801-G803 PolarHBondContact O-N 3.08Å; F801-R804 WeakPolarHBondContact O-CA 3.46Å; F801-R804 WeakPolarHBondContact O-CB 3.37Å; F801-R804 PolarHBondContact O-N 2.84Å; F801-V805 HydrophobicContact CD2-CG2 3.93Å; F801-V805 HydrophobicContact CE1-CG2 4.41Å; F801-V805 HydrophobicContact CE2-CG2 3.42Å; F801-V805 VanDerWaalsContact CE2-CG2 3.42Å; F801-V805 HydrophobicContact CZ-CG2 3.71Å; F801-V805 WeakPolarHBondContact O-CG2 3.26Å; F801-V805 PolarHBondContact O-N 2.88Å
802I97Very high93.8Very high0 Ų026.6 Ų26.60%012%0.123CC..Hα-helixtrans-59.5-41.8177.3-67.6158.5000110.2M764 F765 L771 F772 Y798 F799 R804 V805 V806 F916M764-I802 HydrophobicContact CB-CG1 4.25Å; M764-I802 HydrophobicContact CG-CG1 4.2Å; M764-I802 HydrophobicContact SD-CB 4.3Å; M764-I802 HydrophobicContact SD-CG1 3.75Å; M764-I802 HydrophobicContact SD-CG2 4.42Å; F765-I802 HydrophobicContact CE1-CG2 3.74Å; L771-I802 HydrophobicContact CD1-CD1 3.84Å; F772-I802 HydrophobicContact CE2-CD1 3.97Å; F772-I802 HydrophobicContact CZ-CD1 4.43Å; Y798-I802 WeakPolarHBondContact O-CB 3.3Å; Y798-I802 WeakPolarHBondContact O-CD1 3.39Å; Y798-I802 WeakPolarHBondContact O-CG1 3.28Å; Y798-I802 PolarHBondContact O-N 3.31Å; F799-I802 PolarHBondContact O-N 3.45Å; I802-R804 PolarHBondContact O-N 2.8Å; I802-V805 PolarHBondContact O-N 2.98Å; I802-V806 HydrophobicContact CG2-CG2 4.37Å; I802-V806 WeakPolarHBondContact O-CG2 3.22Å; I802-V806 PolarHBondContact O-N 3.29Å; I802-F916 HydrophobicContact CG2-CD2 4.07Å; I802-F916 HydrophobicContact CG2-CE2 4.03Å
803G97.2Very high94.3Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-54.9-47.8171.900000112.6F799 K800 F801 V806 G807 F916 G919 F920F799-G803 PolarHBondContact O-N 2.73Å; K800-G803 PolarHBondContact O-N 3.3Å; F801-G803 VanDerWaalsContact C-N 3.28Å; F801-G803 PolarHBondContact O-N 3.08Å; G803-V806 PolarHBondContact O-N 3.45Å; G803-G807 PolarHBondContact O-N 3.31Å; G803-F916 VanDerWaalsContact CA-CD2 3.5Å; G803-F916 WeakPolarHBondContact CA-O 3.14Å; G803-G919 CarbonylContact C-O 3.46Å; G803-F920 VanDerWaalsContact O-CA 3.32Å; G803-F920 WeakPolarHBondContact O-CA 3.15Å
804R97.1Very high94.5Very high14 Ų1420 Ų205%0.05310%0.101CC..Hα-helixtrans-60.8-45.8175.4-75.4179.1168.7-166.1-6.9112.2I724 Y725 I727 L733 K800 F801 I802 G807 M808 G919 D922I724-R804 HydrophobicContact CG2-CB 3.97Å; I724-R804 PolarHBondContact O-NH1 3.19Å; Y725-R804 PolarHBondContact O-NH1 3.15Å; I727-R804 PolarHBondContact O-NH1 2.64Å; I727-R804 PolarHBondContact O-NH2 2.74Å; I727-R804 VanDerWaalsContact O-NH2 3.14Å; L733-R804 HydrophobicContact CD1-CB 4.4Å; L733-R804 HydrophobicContact CD1-CG 4.41Å; K800-R804 PolarHBondContact O-N 3.04Å; F801-R804 WeakPolarHBondContact O-CA 3.46Å; F801-R804 WeakPolarHBondContact O-CB 3.37Å; F801-R804 PolarHBondContact O-N 2.84Å; I802-R804 PolarHBondContact O-N 2.8Å; R804-G807 PolarHBondContact O-N 3.09Å; R804-M808 WeakPolarHBondContact O-CB 3.46Å; R804-M808 VanDerWaalsContact O-CG 3.23Å; R804-M808 WeakPolarHBondContact O-CG 3.29Å; R804-M808 PolarHBondContact O-N 2.68Å; R804-G919 WeakPolarHBondContact CA-O 3.24Å; R804-G919 WeakPolarHBondContact CG-O 2.97Å; R804-G919 PolarHBondContact N-O 2.54Å; R804-D922 HydrophobicContact CG-CB 4.46Å; R804-D922 IonicContact CZ-OD2 3.74Å; R804-D922 IonicContact NE-OD2 2.9Å; R804-D922 PolarHBondContact NE-OD2 2.86Å; R804-D922 IonicContact NH2-OD2 3.71Å; R804-D922 PolarHBondContact NH2-OD2 2.95Å
805V97.1Very high94.5Very high0 Ų018.5 Ų18.50%010%0.095CC..Hα-helixtrans-64.7-42179.9177.90000111.1I724 W756 F757 L760 M764 F801 I802 M808 A809I724-V805 HydrophobicContact CD1-CG2 4.12Å; W756-V805 HydrophobicContact CH2-CG1 4.39Å; F757-V805 HydrophobicContact CD1-CG1 4.15Å; F757-V805 HydrophobicContact CE1-CG1 4.05Å; F757-V805 WeakPolarHBondContact CE1-O 3.45Å; L760-V805 HydrophobicContact CD2-CG1 3.88Å; L760-V805 HydrophobicContact CD2-CG2 4.07Å; M764-V805 HydrophobicContact CE-CB 4.02Å; M764-V805 HydrophobicContact CE-CG1 3.58Å; M764-V805 HydrophobicContact SD-CB 3.99Å; M764-V805 HydrophobicContact SD-CG1 4.04Å; M764-V805 HydrophobicContact SD-CG2 4.1Å; F801-V805 HydrophobicContact CD2-CG2 3.93Å; F801-V805 HydrophobicContact CE1-CG2 4.41Å; F801-V805 HydrophobicContact CE2-CG2 3.42Å; F801-V805 VanDerWaalsContact CE2-CG2 3.42Å; F801-V805 HydrophobicContact CZ-CG2 3.71Å; F801-V805 WeakPolarHBondContact O-CG2 3.26Å; F801-V805 PolarHBondContact O-N 2.88Å; I802-V805 PolarHBondContact O-N 2.98Å; V805-M808 WeakPolarHBondContact O-CB 3.47Å; V805-M808 PolarHBondContact O-N 2.82Å; V805-A809 PolarHBondContact O-N 3.17Å
806V96.4Very high94.3Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-67-37.8175.4176.10000111.2F765 I802 G803 A809 V810 V816 F916 F920 M941F765-V806 HydrophobicContact CZ-CG2 4.23Å; I802-V806 HydrophobicContact CG2-CG2 4.37Å; I802-V806 WeakPolarHBondContact O-CG2 3.22Å; I802-V806 PolarHBondContact O-N 3.29Å; G803-V806 PolarHBondContact O-N 3.45Å; V806-A809 PolarHBondContact O-N 3.02Å; V806-V810 WeakPolarHBondContact O-CG2 3.36Å; V806-V810 PolarHBondContact O-N 2.85Å; V806-V810 VanDerWaalsContact O-N 3.09Å; V806-V816 HydrophobicContact CG2-CG1 4.44Å; V806-V816 HydrophobicContact CG2-CG2 4.5Å; V806-F916 HydrophobicContact CB-CE2 4.2Å; V806-F916 HydrophobicContact CB-CZ 4.29Å; V806-F916 HydrophobicContact CG1-CZ 4.2Å; V806-F916 HydrophobicContact CG2-CE2 4.09Å; V806-F916 HydrophobicContact CG2-CZ 4.46Å; V806-F920 HydrophobicContact CB-CD2 4.34Å; V806-F920 HydrophobicContact CG1-CD2 4Å; V806-F920 HydrophobicContact CG1-CE2 3.96Å; V806-M941 HydrophobicContact CG1-CE 3.71Å; V806-M941 HydrophobicContact CG1-CG 4.27Å; V806-M941 HydrophobicContact CG1-SD 4.2Å
807G96Very high93.7Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-62.5-40.8171.800000112.8G803 R804 Y811G803-G807 PolarHBondContact O-N 3.31Å; R804-G807 PolarHBondContact O-N 3.09Å; G807-Y811 VanDerWaalsContact O-CB 3.26Å; G807-Y811 WeakPolarHBondContact O-CB 3.41Å; G807-Y811 PolarHBondContact O-N 3.48Å
808M95.5Very high92.9Very high0 Ų012.4 Ų12.40%07%0.068CC..Hα-helixtrans-63.9-40.5172.7-71.4165.766.900112F707 I724 L733 L737 W756 F757 R804 V805 Y811 H812 L923F707-M808 HydrophobicContact CE1-CE 4.35Å; I724-M808 HydrophobicContact CD1-CE 4.02Å; I724-M808 HydrophobicContact CD1-SD 4.02Å; I724-M808 HydrophobicContact CG2-SD 4.12Å; L733-M808 HydrophobicContact CB-CG 3.97Å; L733-M808 HydrophobicContact CB-SD 4.07Å; L733-M808 HydrophobicContact CD1-CG 4.5Å; L733-M808 HydrophobicContact CD1-SD 4.05Å; L733-M808 HydrophobicContact CD2-CE 4.18Å; L733-M808 HydrophobicContact CD2-SD 3.86Å; L733-M808 HydrophobicContact CG-SD 4.21Å; L737-M808 HydrophobicContact CD1-CE 4.4Å; L737-M808 HydrophobicContact CD2-CE 3.78Å; W756-M808 HydrophobicContact CH2-CE 4.16Å; W756-M808 HydrophobicContact CZ3-CE 4.42Å; F757-M808 HydrophobicContact CE1-CB 4.14Å; F757-M808 HydrophobicContact CZ-CB 3.94Å; R804-M808 WeakPolarHBondContact O-CB 3.46Å; R804-M808 VanDerWaalsContact O-CG 3.23Å; R804-M808 WeakPolarHBondContact O-CG 3.29Å; R804-M808 PolarHBondContact O-N 2.68Å; V805-M808 WeakPolarHBondContact O-CB 3.47Å; V805-M808 PolarHBondContact O-N 2.82Å; M808-Y811 PolarHBondContact O-N 3.09Å; M808-H812 WeakPolarHBondContact O-CB 3.41Å; M808-H812 PolarHBondContact O-CD2 2.72Å; M808-H812 VanDerWaalsContact O-CD2 3.23Å; M808-H812 PolarHBondContact O-N 3.01Å; M808-L923 HydrophobicContact CB-CD2 4.32Å; M808-L923 HydrophobicContact CG-CD1 4.21Å; M808-L923 HydrophobicContact CG-CD2 3.59Å
809A94.1Very high91.9Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-60.1-53.2177.600000110.6F757 V805 V806 Y811 H812 G813 K814 V816F757-A809 HydrophobicContact CD1-CB 3.83Å; F757-A809 HydrophobicContact CE1-CB 3.61Å; F757-A809 HydrophobicContact CZ-CB 4.28Å; V805-A809 PolarHBondContact O-N 3.17Å; V806-A809 PolarHBondContact O-N 3.02Å; A809-Y811 PolarHBondContact O-N 2.84Å; A809-H812 PolarHBondContact O-N 2.94Å; A809-G813 PolarHBondContact O-N 3.18Å; A809-G813 VanDerWaalsContact O-N 3.08Å; A809-K814 CarbonylContact C-O 3.46Å; A809-K814 HydrophobicContact CB-CB 4.48Å; A809-K814 PolarHBondContact O-N 3.4Å; A809-K814 VanDerWaalsContact O-O 3.09Å; A809-V816 HydrophobicContact CB-CG1 3.76Å
810V93.4Very high91.3Very high5 Ų513.6 Ų13.63%0.037%0.073CC..Hα-helixtrans-61.1-41.1177.9174.70000111.9F693 V806 F920 I924 L940 M941F693-V810 HydrophobicContact CE1-CG1 3.68Å; F693-V810 HydrophobicContact CZ-CG1 3.58Å; V806-V810 WeakPolarHBondContact O-CG2 3.36Å; V806-V810 PolarHBondContact O-N 2.85Å; V806-V810 VanDerWaalsContact O-N 3.09Å; V810-F920 HydrophobicContact CG2-CE2 4.21Å; V810-F920 HydrophobicContact CG2-CZ 4.49Å; V810-I924 HydrophobicContact CB-CG1 4.39Å; V810-I924 HydrophobicContact CG1-CD1 4.22Å; V810-I924 HydrophobicContact CG1-CG1 4.22Å; V810-L940 HydrophobicContact CG1-CD1 4.48Å; V810-L940 HydrophobicContact CG1-CD2 4.07Å; V810-L940 HydrophobicContact CG1-CG 4.19Å; V810-L940 HydrophobicContact CG2-CG 4.5Å; V810-M941 HydrophobicContact CG2-CG 3.82Å
811Y94.1Very high90.4Very high30 Ų3012.6 Ų12.612%0.1187%0.069CC..Hα-helixtrans-64-47.2178.2-172.7-87.7000112.7L697 R698 P700 M734 G807 M808 A809 G813 I924L697-Y811 HydrophobicContact CB-CE2 4.42Å; L697-Y811 HydrophobicContact CD1-CD2 4.23Å; R698-Y811 WeakPolarHBondContact O-CE2 3.33Å; R698-Y811 PolarHBondContact O-OH 2.78Å; P700-Y811 WeakPolarHBondContact CD-OH 3.39Å; M734-Y811 HydrophobicContact CB-CD1 4.43Å; M734-Y811 HydrophobicContact CB-CE1 3.69Å; M734-Y811 HydrophobicContact CB-CE2 4.28Å; M734-Y811 HydrophobicContact CE-CD2 4.41Å; M734-Y811 HydrophobicContact CE-CE2 4.06Å; M734-Y811 HydrophobicContact CG-CD1 4.45Å; M734-Y811 HydrophobicContact CG-CD2 4.26Å; M734-Y811 HydrophobicContact CG-CE1 4Å; M734-Y811 HydrophobicContact CG-CE2 3.79Å; M734-Y811 HydrophobicContact SD-CE2 3.96Å; G807-Y811 VanDerWaalsContact O-CB 3.26Å; G807-Y811 WeakPolarHBondContact O-CB 3.41Å; G807-Y811 PolarHBondContact O-N 3.48Å; M808-Y811 PolarHBondContact O-N 3.09Å; A809-Y811 PolarHBondContact O-N 2.84Å; Y811-G813 VanDerWaalsContact C-N 3.31Å; Y811-G813 PolarHBondContact O-N 3Å; Y811-I924 HydrophobicContact CD2-CD1 4.01Å; Y811-I924 HydrophobicContact CG-CD1 4.5Å
812H91Very high89.3Confident41 Ų4117.2 Ų17.219%0.199%0.087CC..Hα-helixtrans-86.54.8-175.9-70.3-70.9000114L733 H735 L737 M808 A809 K814L733-H812 PolarHBondContact O-NE2 3.43Å; H735-H812 PolarHBondContact O-CE1 2.82Å; L737-H812 HydrophobicContact CD1-CB 4.41Å; M808-H812 WeakPolarHBondContact O-CB 3.41Å; M808-H812 PolarHBondContact O-CD2 2.72Å; M808-H812 VanDerWaalsContact O-CD2 3.23Å; M808-H812 PolarHBondContact O-N 3.01Å; A809-H812 PolarHBondContact O-N 2.94Å; H812-K814 HydrophobicContact CB-CG 3.98Å
813G88.3Confident88.9Confident36 Ų3617.2 Ų17.237%0.3719%0.087SC..THydrogen-bonded Turntrans65.239.8-178.400000113.1A809 Y811A809-G813 PolarHBondContact O-N 3.18Å; A809-G813 VanDerWaalsContact O-N 3.08Å; Y811-G813 VanDerWaalsContact C-N 3.31Å; Y811-G813 PolarHBondContact O-N 3Å
814K89.5Confident88.6Confident25 Ų2517.4 Ų17.411%0.1099%0.088CC..  trans-114.4161177.9-48.1-65.7-177.2169.10109.2R754 F757 A809 H812R754-K814 HydrophobicContact CG-CD 4.03Å; F757-K814 HydrophobicContact CD2-CB 3.56Å; F757-K814 HydrophobicContact CD2-CG 3.67Å; F757-K814 HydrophobicContact CE2-CB 3.78Å; F757-K814 HydrophobicContact CE2-CG 3.57Å; F757-K814 HydrophobicContact CG-CB 4.05Å; F757-K814 HydrophobicContact CZ-CB 4.39Å; F757-K814 HydrophobicContact CZ-CG 4.41Å; A809-K814 CarbonylContact C-O 3.46Å; A809-K814 HydrophobicContact CB-CB 4.48Å; A809-K814 PolarHBondContact O-N 3.4Å; A809-K814 VanDerWaalsContact O-O 3.09Å; H812-K814 HydrophobicContact CB-CG 3.98Å
815L87.6Confident88.3Confident31 Ų3116.7 Ų16.716%0.1629%0.085CC..  trans-115.8147.8-175.3-57.9174.9000110.5M941 R996L815-M941 WeakPolarHBondContact CA-O 3.37Å; L815-R996 HydrophobicContact CB-CB 4.43Å; L815-R996 HydrophobicContact CD1-CB 3.58Å
816V89.7Confident88Confident2 Ų218.2 Ų18.21%0.0129%0.092CC..  trans-106.7142173.4-64.20000111.1F757 F765 V806 A809 G818 M941 C942F757-V816 HydrophobicContact CD1-CG1 4.47Å; F765-V816 HydrophobicContact CE2-CB 4.09Å; F765-V816 HydrophobicContact CE2-CG2 4.19Å; F765-V816 HydrophobicContact CZ-CB 4.42Å; F765-V816 HydrophobicContact CZ-CG2 4.37Å; V806-V816 HydrophobicContact CG2-CG1 4.44Å; V806-V816 HydrophobicContact CG2-CG2 4.5Å; A809-V816 HydrophobicContact CB-CG1 3.76Å; V816-G818 PolarHBondContact O-N 3.4Å; V816-M941 PolarHBondContact N-O 2.91Å; V816-C942 WeakPolarHBondContact O-CA 3.02Å
817D83.5Confident87.9Confident31 Ų3119.7 Ų19.717%0.16610%0.099CC..  trans-89.873.1-178.9-162.838.3000111.2F758 S761 R762 R996F758-D817 HydrophobicContact CD2-CB 3.76Å; F758-D817 HydrophobicContact CE2-CB 3.99Å; F758-D817 VanDerWaalsContact CE2-OD2 3.25Å; F758-D817 WeakPolarHBondContact CE2-OD2 3.41Å; S761-D817 WeakPolarHBondContact OG-CB 3.21Å; S761-D817 PolarHBondContact OG-N 3.4Å; R762-D817 HydrophobicContact CG-CB 4.17Å; D817-R996 IonicContact OD1-CZ 3.18Å; D817-R996 VanDerWaalsContact OD1-CZ 3.29Å; D817-R996 IonicContact OD1-NE 2.76Å; D817-R996 PolarHBondContact OD1-NE 3.49Å; D817-R996 IonicContact OD1-NH2 3.66Å; D817-R996 PolarHBondContact OD1-NH2 2.88Å
818G76.7Confident87.8Confident4 Ų419.9 Ų19.94%0.04110%0.1CC..  trans-150.4134.4175.800000112.1V816 C942V816-G818 PolarHBondContact O-N 3.4Å; G818-C942 PolarHBondContact O-SG 3.07Å
819F75.1Confident87.7Confident31 Ų3120 Ų2014%0.13610%0.1CC..EExtended strand (participates in β ladder)trans-106.4106.3176.7-62.3-73000109.2T781 L782 Q945T781-F819 CarbonylContact C-O 3.43Å; T781-F819 WeakPolarHBondContact CA-O 3.49Å; L782-F819 WeakPolarHBondContact CB-O 3.08Å; L782-F819 PolarHBondContact N-O 3.19Å; F819-Q945 HydrophobicContact CE1-CB 3.85Å; F819-Q945 HydrophobicContact CE1-CG 3.93Å; F819-Q945 HydrophobicContact CZ-CB 4Å; F819-Q945 HydrophobicContact CZ-CG 3.67Å
820F84.6Confident87.6Confident3 Ų323.4 Ų23.41%0.01314%0.136CC..EExtended strand (participates in β ladder)trans-90.7148.5179.2-58.7-74.7000111.9F765 F772 L782 F824 Y825 M941F765-F820 HydrophobicContact CD1-CE1 4.42Å; F765-F820 AromaticContact CD1-CZ 3.96Å; F765-F820 HydrophobicContact CD1-CZ 3.96Å; F765-F820 HydrophobicContact CD2-CZ 4.24Å; F765-F820 HydrophobicContact CE1-CE1 4.47Å; F765-F820 AromaticContact CE1-CZ 3.66Å; F765-F820 HydrophobicContact CE1-CZ 3.66Å; F765-F820 HydrophobicContact CE2-CE2 4.33Å; F765-F820 AromaticContact CE2-CZ 3.93Å; F765-F820 HydrophobicContact CE2-CZ 3.93Å; F765-F820 HydrophobicContact CG-CZ 4.27Å; F765-F820 HydrophobicContact CZ-CE2 4.17Å; F765-F820 AromaticContact CZ-CZ 3.65Å; F765-F820 HydrophobicContact CZ-CZ 3.65Å; F772-F820 HydrophobicContact CD1-CE1 4.04Å; F772-F820 HydrophobicContact CE1-CD1 4.33Å; F772-F820 AromaticContact CE1-CE1 3.62Å; F772-F820 HydrophobicContact CE1-CE1 3.62Å; F772-F820 HydrophobicContact CZ-CE1 4.13Å; L782-F820 HydrophobicContact CB-CD1 4.06Å; L782-F820 HydrophobicContact CB-CE1 4.32Å; L782-F820 HydrophobicContact CD1-CE1 4.46Å; L782-F820 CarbonylContact O-C 3.57Å; L782-F820 WeakPolarHBondContact O-CA 3.35Å; F820-F824 HydrophobicContact CB-CB 3.69Å; F820-F824 HydrophobicContact CB-CD1 3.61Å; F820-F824 HydrophobicContact CB-CD2 4.39Å; F820-F824 HydrophobicContact CB-CE1 4.33Å; F820-F824 HydrophobicContact CB-CG 3.66Å; F820-F824 HydrophobicContact CD1-CD1 4.26Å; F820-F824 HydrophobicContact CD1-CD2 4.18Å; F820-F824 HydrophobicContact CD1-CE1 4.28Å; F820-F824 HydrophobicContact CD1-CE2 4.19Å; F820-F824 HydrophobicContact CD1-CG 4.22Å; F820-F824 HydrophobicContact CD1-CZ 4.24Å; F820-F824 AromaticContact CD2-CD1 3.92Å; F820-F824 HydrophobicContact CD2-CD1 3.92Å; F820-F824 AromaticContact CD2-CE1 3.82Å; F820-F824 HydrophobicContact CD2-CE1 3.82Å; F820-F824 HydrophobicContact CD2-CZ 4.43Å; F820-F824 HydrophobicContact CE1-CE2 4.47Å; F820-F824 HydrophobicContact CE1-CZ 4.35Å; F820-F824 HydrophobicContact CE2-CE1 4.21Å; F820-F824 HydrophobicContact CG-CB 4.47Å; F820-F824 AromaticContact CG-CD1 3.65Å; F820-F824 HydrophobicContact CG-CD1 3.65Å; F820-F824 HydrophobicContact CG-CD2 4.33Å; F820-F824 AromaticContact CG-CE1 3.86Å; F820-F824 HydrophobicContact CG-CE1 3.86Å; F820-F824 HydrophobicContact CG-CE2 4.5Å; F820-F824 AromaticContact CG-CG 3.91Å; F820-F824 HydrophobicContact CG-CG 3.91Å; F820-F824 HydrophobicContact CG-CZ 4.29Å; F820-F824 HydrophobicContact CZ-CZ 4.49Å; F820-Y825 HydrophobicContact CB-CE1 4.12Å; F820-Y825 HydrophobicContact CB-CE2 4.13Å; F820-Y825 AromaticContact CD2-CE1 3.97Å; F820-Y825 HydrophobicContact CD2-CE1 3.97Å; F820-Y825 PolarHBondContact N-OH 3.25Å; F820-Y825 VanDerWaalsContact N-OH 3.1Å; F820-Y825 WeakPolarHBondContact O-CE2 3.47Å; F820-M941 HydrophobicContact CD2-CE 4.3Å; F820-M941 HydrophobicContact CE2-CE 4.23Å
821I78.3Confident87.4Confident11 Ų1126.8 Ų26.86%0.05615%0.15CC..  trans-57.8142.4171.560.3161000110.4L782 Q783 P823 F824 V841 F905L782-I821 PolarHBondContact O-N 3.04Å; Q783-I821 HydrophobicContact CB-CD1 3.56Å; Q783-I821 HydrophobicContact CB-CG1 3.81Å; Q783-I821 HydrophobicContact CB-CG2 4.33Å; I821-P823 VanDerWaalsContact C-N 3.28Å; I821-P823 HydrophobicContact CD1-CB 4.08Å; I821-P823 HydrophobicContact CD1-CG 4.09Å; I821-P823 HydrophobicContact CG1-CB 4.46Å; I821-F824 WeakPolarHBondContact O-CB 3.48Å; I821-F824 PolarHBondContact O-N 3.03Å; I821-V841 HydrophobicContact CB-CG1 4.47Å; I821-V841 HydrophobicContact CB-CG2 3.76Å; I821-V841 HydrophobicContact CD1-CG1 4.02Å; I821-V841 HydrophobicContact CD1-CG2 4.16Å; I821-V841 HydrophobicContact CG2-CG1 3.97Å; I821-V841 HydrophobicContact CG2-CG2 3.91Å; I821-F905 HydrophobicContact CD1-CD1 4.09Å; I821-F905 HydrophobicContact CD1-CE1 3.98Å
822R74Confident87.2Confident97 Ų9731.3 Ų31.337%0.36618%0.181SC..Hα-helixtrans-50.3-35-177.3-160.3178.4-163.4-160.43.4115.7F824 Y825 K826 D837 A934 N935R822-F824 PolarHBondContact O-N 3.27Å; R822-Y825 PolarHBondContact O-N 2.92Å; R822-K826 PolarHBondContact O-N 2.91Å; R822-K826 VanDerWaalsContact O-N 3.14Å; R822-D837 IonicContact NH1-OD1 2.66Å; R822-A934 HydrophobicContact CG-CB 4.21Å; R822-N935 PolarHBondContact NE-OD1 2.86Å; R822-N935 PolarHBondContact NH2-OD1 3.18Å
823P87.9Confident87.1Confident0 Ų030.7 Ų30.70%018%0.179CC..Hα-helixtrans-53.1-30.1169.5-32.239.5000115.7I821 K826 M827 I833 D837 V841 F905I821-P823 VanDerWaalsContact C-N 3.28Å; I821-P823 HydrophobicContact CD1-CB 4.08Å; I821-P823 HydrophobicContact CD1-CG 4.09Å; I821-P823 HydrophobicContact CG1-CB 4.46Å; P823-K826 PolarHBondContact O-N 3.02Å; P823-M827 WeakPolarHBondContact O-CE 3.45Å; P823-M827 WeakPolarHBondContact O-CG 3.47Å; P823-M827 PolarHBondContact O-N 2.88Å; P823-I833 HydrophobicContact CB-CD1 3.89Å; P823-I833 HydrophobicContact CB-CG1 4.16Å; P823-I833 HydrophobicContact CB-CG2 4.3Å; P823-I833 HydrophobicContact CG-CG2 4.1Å; P823-D837 HydrophobicContact CG-CB 4.29Å; P823-V841 HydrophobicContact CG-CG2 4.32Å; P823-F905 HydrophobicContact CB-CB 4.35Å; P823-F905 HydrophobicContact CB-CD1 4.08Å; P823-F905 HydrophobicContact CB-CG 4.12Å; P823-F905 HydrophobicContact CG-CD1 4.03Å; P823-F905 HydrophobicContact CG-CD2 4.31Å; P823-F905 HydrophobicContact CG-CE1 3.99Å; P823-F905 HydrophobicContact CG-CE2 4.23Å; P823-F905 HydrophobicContact CG-CG 4.2Å; P823-F905 HydrophobicContact CG-CZ 4.07Å
824F91.6Very high86.9Confident4 Ų431.4 Ų31.42%0.01818%0.178CC..Hα-helixtrans-63.6-57.1177.7-174.3-89.6000111.6I784 F820 I821 R822 K826 M827 M828 M913 F916 M941I784-F824 HydrophobicContact CD1-CD2 4.33Å; I784-F824 HydrophobicContact CD1-CE2 3.99Å; I784-F824 HydrophobicContact CG1-CD2 4.31Å; I784-F824 HydrophobicContact CG1-CE2 4.07Å; F820-F824 HydrophobicContact CB-CB 3.69Å; F820-F824 HydrophobicContact CB-CD1 3.61Å; F820-F824 HydrophobicContact CB-CD2 4.39Å; F820-F824 HydrophobicContact CB-CE1 4.33Å; F820-F824 HydrophobicContact CB-CG 3.66Å; F820-F824 HydrophobicContact CD1-CD1 4.26Å; F820-F824 HydrophobicContact CD1-CD2 4.18Å; F820-F824 HydrophobicContact CD1-CE1 4.28Å; F820-F824 HydrophobicContact CD1-CE2 4.19Å; F820-F824 HydrophobicContact CD1-CG 4.22Å; F820-F824 HydrophobicContact CD1-CZ 4.24Å; F820-F824 AromaticContact CD2-CD1 3.92Å; F820-F824 HydrophobicContact CD2-CD1 3.92Å; F820-F824 AromaticContact CD2-CE1 3.82Å; F820-F824 HydrophobicContact CD2-CE1 3.82Å; F820-F824 HydrophobicContact CD2-CZ 4.43Å; F820-F824 HydrophobicContact CE1-CE2 4.47Å; F820-F824 HydrophobicContact CE1-CZ 4.35Å; F820-F824 HydrophobicContact CE2-CE1 4.21Å; F820-F824 HydrophobicContact CG-CB 4.47Å; F820-F824 AromaticContact CG-CD1 3.65Å; F820-F824 HydrophobicContact CG-CD1 3.65Å; F820-F824 HydrophobicContact CG-CD2 4.33Å; F820-F824 AromaticContact CG-CE1 3.86Å; F820-F824 HydrophobicContact CG-CE1 3.86Å; F820-F824 HydrophobicContact CG-CE2 4.5Å; F820-F824 AromaticContact CG-CG 3.91Å; F820-F824 HydrophobicContact CG-CG 3.91Å; F820-F824 HydrophobicContact CG-CZ 4.29Å; F820-F824 HydrophobicContact CZ-CZ 4.49Å; I821-F824 WeakPolarHBondContact O-CB 3.48Å; I821-F824 PolarHBondContact O-N 3.03Å; R822-F824 PolarHBondContact O-N 3.27Å; F824-K826 PolarHBondContact O-N 3.3Å; F824-M827 WeakPolarHBondContact O-CB 3.49Å; F824-M827 PolarHBondContact O-N 2.93Å; F824-M827 VanDerWaalsContact O-N 3.08Å; F824-M828 HydrophobicContact CD1-CG 4.41Å; F824-M828 HydrophobicContact CD1-SD 3.91Å; F824-M828 HydrophobicContact CE1-CG 4.29Å; F824-M828 HydrophobicContact CE1-SD 3.56Å; F824-M828 VanDerWaalsContact CE1-SD 3.56Å; F824-M828 PolarHBondContact O-N 3.23Å; F824-M913 HydrophobicContact CD2-CE 3.56Å; F824-M913 HydrophobicContact CE2-CE 3.67Å; F824-M913 HydrophobicContact CG-CE 4.13Å; F824-M913 HydrophobicContact CZ-CE 4.32Å; F824-F916 HydrophobicContact CE1-CE1 4.06Å; F824-F916 HydrophobicContact CE1-CZ 4.04Å; F824-F916 HydrophobicContact CZ-CD1 4.17Å; F824-F916 AromaticContact CZ-CE1 3.74Å; F824-F916 HydrophobicContact CZ-CE1 3.74Å; F824-F916 HydrophobicContact CZ-CE2 4.14Å; F824-F916 AromaticContact CZ-CZ 3.72Å; F824-F916 HydrophobicContact CZ-CZ 3.72Å; F824-M941 HydrophobicContact CE1-CE 4.46Å
825Y90.8Very high86.7Confident0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-63-31.5176.9-47-66.6000112F820 R822 M828 L829 L937 E938 M941F820-Y825 HydrophobicContact CB-CE1 4.12Å; F820-Y825 HydrophobicContact CB-CE2 4.13Å; F820-Y825 AromaticContact CD2-CE1 3.97Å; F820-Y825 HydrophobicContact CD2-CE1 3.97Å; F820-Y825 PolarHBondContact N-OH 3.25Å; F820-Y825 VanDerWaalsContact N-OH 3.1Å; F820-Y825 WeakPolarHBondContact O-CE2 3.47Å; R822-Y825 PolarHBondContact O-N 2.92Å; Y825-M828 HydrophobicContact CD1-SD 4.41Å; Y825-M828 PolarHBondContact O-N 3.47Å; Y825-L829 WeakPolarHBondContact O-CG 3.44Å; Y825-L829 PolarHBondContact O-N 3.48Å; Y825-L829 VanDerWaalsContact O-N 3.07Å; Y825-L937 HydrophobicContact CD1-CG 4.39Å; Y825-E938 HydrophobicContact CD1-CB 4.35Å; Y825-E938 HydrophobicContact CD2-CB 4Å; Y825-E938 HydrophobicContact CE1-CB 3.96Å; Y825-E938 HydrophobicContact CE1-CG 4.44Å; Y825-E938 HydrophobicContact CE2-CB 3.59Å; Y825-E938 VanDerWaalsContact CE2-CD 3.41Å; Y825-E938 HydrophobicContact CE2-CG 3.83Å; Y825-E938 WeakPolarHBondContact CE2-OE1 3.44Å; Y825-E938 HydrophobicContact CG-CB 4.36Å; Y825-E938 VanDerWaalsContact CZ-OE1 3.32Å; Y825-E938 WeakPolarHBondContact OH-CG 3.47Å; Y825-E938 PolarHBondContact OH-OE1 3.32Å; Y825-M941 HydrophobicContact CD1-CE 4.4Å; Y825-M941 HydrophobicContact CD1-SD 4.27Å; Y825-M941 HydrophobicContact CE1-CE 3.96Å; Y825-M941 HydrophobicContact CE1-SD 4.27Å
826K89.9Confident86Confident32 Ų3237.3 Ų37.314%0.13920%0.204CC..Hα-helixtrans-63.4-43.7171.5-81.1-170.4162-158.70112.7R822 P823 F824 L829 G830 K831 T832 I833 D837 A934R822-K826 PolarHBondContact O-N 2.91Å; R822-K826 VanDerWaalsContact O-N 3.14Å; P823-K826 PolarHBondContact O-N 3.02Å; F824-K826 PolarHBondContact O-N 3.3Å; K826-L829 CarbonylContact O-C 3.55Å; K826-L829 PolarHBondContact O-N 3.44Å; K826-G830 PolarHBondContact O-N 2.71Å; K826-G830 VanDerWaalsContact O-N 3.09Å; K826-K831 PolarHBondContact O-N 3Å; K826-T832 PolarHBondContact NZ-O 3.49Å; K826-I833 HydrophobicContact CB-CG1 4.21Å; K826-I833 HydrophobicContact CD-CG1 4.32Å; K826-D837 WeakPolarHBondContact CE-OD1 3.15Å; K826-D837 VanDerWaalsContact NZ-CG 3.29Å; K826-D837 IonicContact NZ-OD1 3.8Å; K826-D837 PolarHBondContact NZ-OD1 3.11Å; K826-D837 VanDerWaalsContact NZ-OD1 3.15Å; K826-D837 IonicContact NZ-OD2 3.27Å; K826-D837 PolarHBondContact NZ-OD2 2.9Å; K826-A934 HydrophobicContact CG-CB 4.02Å
827M94.2Very high85.3Confident31 Ų3137.4 Ų37.415%0.15320%0.204CC..Hα-helixtrans-62.4-42.4173.7-76.5-175.3-8100111.9P823 F824 L829 G830 I833 F905 V906 V909 M913P823-M827 WeakPolarHBondContact O-CE 3.45Å; P823-M827 WeakPolarHBondContact O-CG 3.47Å; P823-M827 PolarHBondContact O-N 2.88Å; F824-M827 WeakPolarHBondContact O-CB 3.49Å; F824-M827 PolarHBondContact O-N 2.93Å; F824-M827 VanDerWaalsContact O-N 3.08Å; M827-L829 PolarHBondContact O-N 3.2Å; M827-G830 PolarHBondContact O-N 3.23Å; M827-I833 HydrophobicContact CG-CD1 4.11Å; M827-F905 VanDerWaalsContact CE-O 3.23Å; M827-F905 WeakPolarHBondContact CE-O 3.24Å; M827-F905 VanDerWaalsContact SD-O 3.41Å; M827-V906 HydrophobicContact CG-CG2 4.48Å; M827-V906 HydrophobicContact SD-CB 4.46Å; M827-V906 HydrophobicContact SD-CG1 4.39Å; M827-V906 HydrophobicContact SD-CG2 4.13Å; M827-V909 HydrophobicContact CE-CG2 4.26Å; M827-V909 HydrophobicContact SD-CG2 4.39Å; M827-M913 HydrophobicContact CB-CE 3.89Å; M827-M913 HydrophobicContact CB-CG 4.15Å; M827-M913 HydrophobicContact CB-SD 4.15Å; M827-M913 HydrophobicContact CE-CE 4Å; M827-M913 HydrophobicContact SD-CE 4.3Å; M827-M913 HydrophobicContact SD-CG 4.3Å
828M95Very high85Confident3 Ų335.9 Ų35.92%0.01520%0.196CC..Hα-helixtrans-58-35.8174.3-65.1-17966.700113.2F824 Y825 F916 L917 F920 L929 L937 M941F824-M828 HydrophobicContact CD1-CG 4.41Å; F824-M828 HydrophobicContact CD1-SD 3.91Å; F824-M828 HydrophobicContact CE1-CG 4.29Å; F824-M828 HydrophobicContact CE1-SD 3.56Å; F824-M828 VanDerWaalsContact CE1-SD 3.56Å; F824-M828 PolarHBondContact O-N 3.23Å; Y825-M828 HydrophobicContact CD1-SD 4.41Å; Y825-M828 PolarHBondContact O-N 3.47Å; M828-F916 HydrophobicContact CE-CE1 3.86Å; M828-F916 HydrophobicContact CE-CZ 4.21Å; M828-F916 HydrophobicContact CG-CE1 4.03Å; M828-F916 HydrophobicContact SD-CE1 3.82Å; M828-F916 HydrophobicContact SD-CZ 4.27Å; M828-L917 HydrophobicContact CB-CD2 4.25Å; M828-L917 HydrophobicContact CG-CD2 4.06Å; M828-F920 HydrophobicContact CE-CD2 4.25Å; M828-F920 HydrophobicContact CE-CE2 4.08Å; M828-F920 HydrophobicContact CE-CZ 4.22Å; M828-L929 HydrophobicContact CE-CD1 4.32Å; M828-L937 HydrophobicContact CB-CD2 3.84Å; M828-L937 HydrophobicContact CE-CD2 4.21Å; M828-L937 HydrophobicContact SD-CD2 4.13Å; M828-M941 HydrophobicContact CE-SD 3.68Å; M828-M941 HydrophobicContact SD-CE 4.26Å; M828-M941 HydrophobicContact SD-SD 3.84Å
829L92.1Very high84.6Confident2 Ų239.7 Ų39.71%0.0121%0.213CC..THydrogen-bonded Turntrans-86.3-0.7177.4-66.5168.1000113.6Y825 K826 M827 K831 L929 Q930 A934 L937Y825-L829 WeakPolarHBondContact O-CG 3.44Å; Y825-L829 PolarHBondContact O-N 3.48Å; Y825-L829 VanDerWaalsContact O-N 3.07Å; K826-L829 CarbonylContact O-C 3.55Å; K826-L829 PolarHBondContact O-N 3.44Å; M827-L829 PolarHBondContact O-N 3.2Å; L829-K831 HydrophobicContact CB-CB 4.32Å; L829-K831 HydrophobicContact CB-CD 3.66Å; L829-K831 HydrophobicContact CB-CG 3.87Å; L829-K831 HydrophobicContact CD1-CD 4.03Å; L829-K831 HydrophobicContact CG-CD 4.43Å; L829-K831 PolarHBondContact O-N 3.09Å; L829-L929 HydrophobicContact CD2-CB 3.79Å; L829-L929 WeakPolarHBondContact CD2-O 3.26Å; L829-Q930 PolarHBondContact O-NE2 2.83Å; L829-Q930 PolarHBondContact O-OE1 3.07Å; L829-A934 HydrophobicContact CD1-CB 4.35Å; L829-L937 HydrophobicContact CD1-CB 4.34Å; L829-L937 HydrophobicContact CD1-CD2 4.06Å; L829-L937 HydrophobicContact CD2-CD2 3.99Å; L829-L937 HydrophobicContact CG-CD2 3.69Å
830G92.5Very high83.7Confident73 Ų7341.2 Ų41.275%0.75323%0.228SC*.THydrogen-bonded Turntrans62.519.5-172.700000114.2K826 M827K826-G830 PolarHBondContact O-N 2.71Å; K826-G830 VanDerWaalsContact O-N 3.09Å; M827-G830 PolarHBondContact O-N 3.23Å
831K89.5Confident82.6Confident75 Ų7541.1 Ų41.133%0.32623%0.227SC..PPolyproline II helixtrans-92.5141-174.1-71.1171.6-170.9173.90110.6K826 L829 Q930 F932K826-K831 PolarHBondContact O-N 3Å; L829-K831 HydrophobicContact CB-CB 4.32Å; L829-K831 HydrophobicContact CB-CD 3.66Å; L829-K831 HydrophobicContact CB-CG 3.87Å; L829-K831 HydrophobicContact CD1-CD 4.03Å; L829-K831 HydrophobicContact CG-CD 4.43Å; L829-K831 PolarHBondContact O-N 3.09Å; K831-Q930 PolarHBondContact NZ-O 3.37Å; K831-F932 PolarHBondContact NZ-O 2.89Å
832T89.9Confident82Confident126 Ų12642.2 Ų42.277%0.77323%0.233SC*.PPolyproline II helixtrans-65.1136.9-176.449.40000112.6K826K826-T832 PolarHBondContact NZ-O 3.49Å
833I89.2Confident81.4Confident27 Ų2739.8 Ų39.814%0.13823%0.231CC..PPolyproline II helixtrans-85.3131.1173.3-57.2158.9000107.5P823 K826 M827 D837 I901 F905 V906P823-I833 HydrophobicContact CB-CD1 3.89Å; P823-I833 HydrophobicContact CB-CG1 4.16Å; P823-I833 HydrophobicContact CB-CG2 4.3Å; P823-I833 HydrophobicContact CG-CG2 4.1Å; K826-I833 HydrophobicContact CB-CG1 4.21Å; K826-I833 HydrophobicContact CD-CG1 4.32Å; M827-I833 HydrophobicContact CG-CD1 4.11Å; I833-D837 HydrophobicContact CG2-CB 3.95Å; I833-I901 HydrophobicContact CB-CG2 4.12Å; I833-I901 HydrophobicContact CG2-CG2 3.82Å; I833-F905 HydrophobicContact CD1-CB 3.74Å; I833-F905 HydrophobicContact CD1-CG 4.5Å; I833-F905 HydrophobicContact CG2-CD2 3.74Å; I833-F905 HydrophobicContact CG2-CE2 4.17Å; I833-F905 HydrophobicContact CG2-CG 4.5Å; I833-V906 HydrophobicContact CD1-CG2 3.71Å
834S83.3Confident80.4Confident51 Ų5143.6 Ų43.636%0.35725%0.249SC..  trans-109.9165.1-175.374.90000111K836 D837S834-K836 PolarHBondContact O-N 3.42Å; S834-K836 VanDerWaalsContact O-N 3.13Å; S834-K836 PolarHBondContact OG-N 3.37Å; S834-D837 WeakPolarHBondContact CA-OD2 3.37Å; S834-D837 WeakPolarHBondContact CB-OD2 3.29Å; S834-D837 PolarHBondContact N-OD2 2.97Å; S834-D837 PolarHBondContact O-N 3.34Å; S834-D837 PolarHBondContact OG-OD2 3.33Å
835L85.3Confident79.7Confident30 Ų3046.4 Ų46.416%0.15726%0.26CS..Hα-helixtrans-56.3-30.1174.2-179.258.9000112.2D837 M838 Y846 L849 L853 I897 I901L835-D837 VanDerWaalsContact C-N 3.33Å; L835-D837 PolarHBondContact O-N 3.49Å; L835-M838 VanDerWaalsContact O-CB 3.27Å; L835-M838 WeakPolarHBondContact O-CB 3.15Å; L835-M838 PolarHBondContact O-N 3.43Å; L835-Y846 HydrophobicContact CD1-CD2 3.86Å; L835-Y846 HydrophobicContact CD1-CE2 4.38Å; L835-Y846 HydrophobicContact CG-CD2 3.95Å; L835-Y846 HydrophobicContact CG-CE2 3.96Å; L835-Y846 WeakPolarHBondContact O-CD2 3.45Å; L835-Y846 WeakPolarHBondContact O-CE2 3.42Å; L835-L849 HydrophobicContact CD1-CB 3.63Å; L835-L849 HydrophobicContact CD1-CD1 3.95Å; L835-L849 HydrophobicContact CD1-CG 4.47Å; L835-L853 HydrophobicContact CD2-CD2 3.83Å; L835-I897 HydrophobicContact CD1-CG2 4.28Å; L835-I897 HydrophobicContact CD2-CG2 4.41Å; L835-I901 HydrophobicContact CB-CD1 3.91Å; L835-I901 HydrophobicContact CD1-CD1 4.24Å
836K72.9Confident78.9Confident150 Ų15047.3 Ų47.365%0.65226%0.264SS*.Hα-helixtrans-69.6-27177.1-171.9172.7-179.8178.50113.2S834 M838 E839S834-K836 PolarHBondContact O-N 3.42Å; S834-K836 VanDerWaalsContact O-N 3.13Å; S834-K836 PolarHBondContact OG-N 3.37Å; K836-M838 PolarHBondContact O-N 2.93Å; K836-E839 WeakPolarHBondContact O-CB 3.19Å; K836-E839 PolarHBondContact O-N 3.48Å
837D74.7Confident78.4Confident4 Ų451 Ų512%0.02128%0.277CS..Hα-helixtrans-73.2-19.8176.4-53.1-82.1000111.9R822 P823 K826 I833 S834 L835 S840R822-D837 IonicContact NH1-OD1 2.66Å; P823-D837 HydrophobicContact CG-CB 4.29Å; K826-D837 WeakPolarHBondContact CE-OD1 3.15Å; K826-D837 VanDerWaalsContact NZ-CG 3.29Å; K826-D837 IonicContact NZ-OD1 3.8Å; K826-D837 PolarHBondContact NZ-OD1 3.11Å; K826-D837 VanDerWaalsContact NZ-OD1 3.15Å; K826-D837 IonicContact NZ-OD2 3.27Å; K826-D837 PolarHBondContact NZ-OD2 2.9Å; I833-D837 HydrophobicContact CG2-CB 3.95Å; S834-D837 WeakPolarHBondContact CA-OD2 3.37Å; S834-D837 WeakPolarHBondContact CB-OD2 3.29Å; S834-D837 PolarHBondContact N-OD2 2.97Å; S834-D837 PolarHBondContact O-N 3.34Å; S834-D837 PolarHBondContact OG-OD2 3.33Å; L835-D837 VanDerWaalsContact C-N 3.33Å; L835-D837 PolarHBondContact O-N 3.49Å; D837-S840 PolarHBondContact O-OG 2.9Å
838M76.6Confident78.1Confident0 Ų051 Ų510%028%0.279CS..Hα-helixtrans-66.4-37.3171.1-166.973.773.400111.6L835 K836 S840 V841 D842 Y845 Y846 L849 I901 R904 F905L835-M838 VanDerWaalsContact O-CB 3.27Å; L835-M838 WeakPolarHBondContact O-CB 3.15Å; L835-M838 PolarHBondContact O-N 3.43Å; K836-M838 PolarHBondContact O-N 2.93Å; M838-S840 PolarHBondContact O-N 2.95Å; M838-S840 VanDerWaalsContact O-N 3.11Å; M838-V841 PolarHBondContact O-N 2.85Å; M838-D842 CarbonylContact O-C 3.53Å; M838-D842 PolarHBondContact O-N 2.99Å; M838-D842 HydrophobicContact SD-CB 4.37Å; M838-Y845 HydrophobicContact CE-CD1 3.77Å; M838-Y845 HydrophobicContact CE-CE1 3.97Å; M838-Y845 HydrophobicContact CG-CD1 4.33Å; M838-Y845 HydrophobicContact SD-CD1 3.8Å; M838-Y846 HydrophobicContact CB-CD2 4.3Å; M838-L849 HydrophobicContact CE-CD1 4.01Å; M838-I901 HydrophobicContact CE-CG1 4.05Å; M838-R904 HydrophobicContact CE-CB 4.41Å; M838-R904 HydrophobicContact CE-CG 4.08Å; M838-R904 HydrophobicContact SD-CG 4.38Å; M838-F905 HydrophobicContact CB-CE2 4.43Å; M838-F905 HydrophobicContact CE-CD2 4.2Å; M838-F905 HydrophobicContact CE-CE2 3.45Å; M838-F905 VanDerWaalsContact CE-CE2 3.45Å; M838-F905 HydrophobicContact CE-CZ 3.99Å; M838-F905 HydrophobicContact SD-CE2 3.52Å; M838-F905 VanDerWaalsContact SD-CE2 3.52Å; M838-F905 HydrophobicContact SD-CZ 3.41Å; M838-F905 WeakPolarHBondContact SD-CZ 3.36Å
839E69.5Low77.8Confident83 Ų8351 Ų5139%0.38828%0.28SS..Hα-helixtrans-55.5-33.6-175.6-171.9162.3-151.200113.1K836 S843 Y846K836-E839 WeakPolarHBondContact O-CB 3.19Å; K836-E839 PolarHBondContact O-N 3.48Å; E839-S843 WeakPolarHBondContact O-CB 3.48Å; E839-Y846 HydrophobicContact CB-CD1 3.73Å; E839-Y846 HydrophobicContact CB-CD2 3.93Å; E839-Y846 HydrophobicContact CB-CE1 3.73Å; E839-Y846 HydrophobicContact CB-CE2 3.92Å; E839-Y846 HydrophobicContact CB-CG 3.78Å; E839-Y846 HydrophobicContact CG-CD1 3.65Å; E839-Y846 HydrophobicContact CG-CE1 3.44Å; E839-Y846 VanDerWaalsContact CG-CE1 3.44Å; E839-Y846 HydrophobicContact CG-CG 4.24Å; E839-Y846 WeakPolarHBondContact OE1-CE1 3.22Å; E839-Y846 PolarHBondContact OE1-OH 3.11Å; E839-Y846 WeakPolarHBondContact OE2-CE1 3.46Å; E839-Y846 PolarHBondContact OE2-OH 3.41Å
840S55.2Low77.6Confident64 Ų6454.9 Ų54.945%0.44830%0.296SS..THydrogen-bonded Turntrans-85.4-12.1177.942.10000115.6D837 M838D837-S840 PolarHBondContact O-OG 2.9Å; M838-S840 PolarHBondContact O-N 2.95Å; M838-S840 VanDerWaalsContact O-N 3.11Å
841V61.3Low77.6Confident1 Ų156.9 Ų56.91%0.00628%0.282CS..THydrogen-bonded Turntrans-113.6-38.1-176-174.90000111.9A776 A777 I821 P823 M838 F905A776-V841 PolarHBondContact N-O 2.84Å; A777-V841 WeakPolarHBondContact CB-O 3.23Å; A777-V841 PolarHBondContact N-O 3.18Å; I821-V841 HydrophobicContact CB-CG1 4.47Å; I821-V841 HydrophobicContact CB-CG2 3.76Å; I821-V841 HydrophobicContact CD1-CG1 4.02Å; I821-V841 HydrophobicContact CD1-CG2 4.16Å; I821-V841 HydrophobicContact CG2-CG1 3.97Å; I821-V841 HydrophobicContact CG2-CG2 3.91Å; P823-V841 HydrophobicContact CG-CG2 4.32Å; M838-V841 PolarHBondContact O-N 2.85Å; V841-F905 HydrophobicContact CB-CE1 4.21Å; V841-F905 HydrophobicContact CB-CZ 4.12Å; V841-F905 HydrophobicContact CG1-CE1 3.95Å; V841-F905 HydrophobicContact CG1-CZ 4.32Å; V841-F905 HydrophobicContact CG2-CE1 4.36Å; V841-F905 HydrophobicContact CG2-CZ 4.32Å
842D67.3Low77.6Confident34 Ų3454 Ų5418%0.18227%0.27CS..  trans-14787.7175.4-169.1-30.6000108.8A776 M838 E844 Y845 Y846A776-D842 HydrophobicContact CB-CB 4.46Å; M838-D842 CarbonylContact O-C 3.53Å; M838-D842 PolarHBondContact O-N 2.99Å; M838-D842 HydrophobicContact SD-CB 4.37Å; D842-E844 PolarHBondContact O-N 3.39Å; D842-E844 PolarHBondContact OD1-N 3.06Å; D842-E844 VanDerWaalsContact OD1-N 3.15Å; D842-Y845 WeakPolarHBondContact OD1-CB 3.21Å; D842-Y845 PolarHBondContact OD1-N 3.14Å; D842-Y845 WeakPolarHBondContact OD2-CB 3.47Å; D842-Y846 VanDerWaalsContact O-CB 3.27Å; D842-Y846 WeakPolarHBondContact O-CB 3.39Å; D842-Y846 PolarHBondContact O-N 3.38Å
843S61.2Low77.7Confident46 Ų4651.5 Ų51.532%0.32225%0.251SS..Hα-helixtrans-65.6-15.3-177.972.90000113.6E839 R847E839-S843 WeakPolarHBondContact O-CB 3.48Å; S843-R847 WeakPolarHBondContact O-CG 3.37Å; S843-R847 VanDerWaalsContact O-CZ 3.29Å; S843-R847 PolarHBondContact O-NE 2.88Å; S843-R847 VanDerWaalsContact O-NE 3.13Å; S843-R847 PolarHBondContact O-NH2 3.28Å; S843-R847 PolarHBondContact OG-NH2 2.92Å
844E66Low77.7Confident79 Ų7957.1 Ų57.137%0.36928%0.275SS..Hα-helixtrans-91.3-48.9-179.9-174.8174.1-144.800111.2I48 D842 Y846 R847 S848I48-E844 VanDerWaalsContact CD1-CD 3.49Å; I48-E844 HydrophobicContact CD1-CG 3.62Å; I48-E844 WeakPolarHBondContact CD1-OE1 3.35Å; D842-E844 PolarHBondContact O-N 3.39Å; D842-E844 PolarHBondContact OD1-N 3.06Å; D842-E844 VanDerWaalsContact OD1-N 3.15Å; E844-Y846 PolarHBondContact O-N 2.8Å; E844-R847 WeakPolarHBondContact O-CA 3.4Å; E844-R847 WeakPolarHBondContact O-CB 3.33Å; E844-R847 PolarHBondContact O-N 2.92Å; E844-S848 PolarHBondContact O-N 2.96Å; E844-S848 PolarHBondContact O-OG 2.81Å
845Y77.9Confident77.9Confident64 Ų6459.2 Ų59.225%0.25128%0.279SS..Hα-helixtrans-59.4-36.3172.6-162.1-107.6000111.3M838 D842 S848 L849 I900M838-Y845 HydrophobicContact CE-CD1 3.77Å; M838-Y845 HydrophobicContact CE-CE1 3.97Å; M838-Y845 HydrophobicContact CG-CD1 4.33Å; M838-Y845 HydrophobicContact SD-CD1 3.8Å; D842-Y845 WeakPolarHBondContact OD1-CB 3.21Å; D842-Y845 PolarHBondContact OD1-N 3.14Å; D842-Y845 WeakPolarHBondContact OD2-CB 3.47Å; Y845-S848 PolarHBondContact O-N 2.9Å; Y845-L849 HydrophobicContact CD1-CD1 3.79Å; Y845-L849 HydrophobicContact CD1-CG 4.35Å; Y845-L849 HydrophobicContact CE1-CD1 3.79Å; Y845-L849 HydrophobicContact CE1-CG 4.38Å; Y845-L849 WeakPolarHBondContact O-CG 3.45Å; Y845-L849 PolarHBondContact O-N 3.28Å; Y845-I900 HydrophobicContact CE1-CG2 3.49Å; Y845-I900 VanDerWaalsContact CE1-CG2 3.49Å; Y845-I900 VanDerWaalsContact OH-CG2 3.27Å; Y845-I900 WeakPolarHBondContact OH-CG2 3.43Å
846Y73.7Confident78.1Confident19 Ų1961.1 Ų61.18%0.07529%0.289CS..Hα-helixtrans-56.9-45.6167.7169.7-108.1000113.5L835 M838 E839 D842 E844 S848 L849 K850L835-Y846 HydrophobicContact CD1-CD2 3.86Å; L835-Y846 HydrophobicContact CD1-CE2 4.38Å; L835-Y846 HydrophobicContact CG-CD2 3.95Å; L835-Y846 HydrophobicContact CG-CE2 3.96Å; L835-Y846 WeakPolarHBondContact O-CD2 3.45Å; L835-Y846 WeakPolarHBondContact O-CE2 3.42Å; M838-Y846 HydrophobicContact CB-CD2 4.3Å; E839-Y846 HydrophobicContact CB-CD1 3.73Å; E839-Y846 HydrophobicContact CB-CD2 3.93Å; E839-Y846 HydrophobicContact CB-CE1 3.73Å; E839-Y846 HydrophobicContact CB-CE2 3.92Å; E839-Y846 HydrophobicContact CB-CG 3.78Å; E839-Y846 HydrophobicContact CG-CD1 3.65Å; E839-Y846 HydrophobicContact CG-CE1 3.44Å; E839-Y846 VanDerWaalsContact CG-CE1 3.44Å; E839-Y846 HydrophobicContact CG-CG 4.24Å; E839-Y846 WeakPolarHBondContact OE1-CE1 3.22Å; E839-Y846 PolarHBondContact OE1-OH 3.11Å; E839-Y846 WeakPolarHBondContact OE2-CE1 3.46Å; E839-Y846 PolarHBondContact OE2-OH 3.41Å; D842-Y846 VanDerWaalsContact O-CB 3.27Å; D842-Y846 WeakPolarHBondContact O-CB 3.39Å; D842-Y846 PolarHBondContact O-N 3.38Å; E844-Y846 PolarHBondContact O-N 2.8Å; Y846-S848 VanDerWaalsContact C-N 3.33Å; Y846-S848 PolarHBondContact O-N 3.17Å; Y846-L849 PolarHBondContact O-N 3.08Å; Y846-K850 HydrophobicContact CD1-CD 4.48Å; Y846-K850 HydrophobicContact CE1-CD 3.74Å; Y846-K850 HydrophobicContact CE2-CD 4.17Å; Y846-K850 WeakPolarHBondContact O-CB 3.28Å; Y846-K850 PolarHBondContact O-N 3.22Å; Y846-K850 PolarHBondContact OH-NZ 2.84Å
847R78.9Confident78.7Confident110 Ų11054 Ų5442%0.41526%0.259SS..Hα-helixtrans-61-43.3176.3-72.4169.7-137.61298.3111S843 E844 K850 Y851S843-R847 WeakPolarHBondContact O-CG 3.37Å; S843-R847 VanDerWaalsContact O-CZ 3.29Å; S843-R847 PolarHBondContact O-NE 2.88Å; S843-R847 VanDerWaalsContact O-NE 3.13Å; S843-R847 PolarHBondContact O-NH2 3.28Å; S843-R847 PolarHBondContact OG-NH2 2.92Å; E844-R847 WeakPolarHBondContact O-CA 3.4Å; E844-R847 WeakPolarHBondContact O-CB 3.33Å; E844-R847 PolarHBondContact O-N 2.92Å; R847-K850 CarbonylContact O-C 3.46Å; R847-K850 PolarHBondContact O-N 3.09Å; R847-Y851 WeakPolarHBondContact O-CB 3.18Å; R847-Y851 PolarHBondContact O-N 2.91Å
848S87.4Confident79.1Confident30 Ų3057.6 Ų57.621%0.2128%0.277CS..Hα-helixtrans-62.2-46.9178.3-62.90000112.2E844 Y845 Y846 K850 Y851 I852E844-S848 PolarHBondContact O-N 2.96Å; E844-S848 PolarHBondContact O-OG 2.81Å; Y845-S848 PolarHBondContact O-N 2.9Å; Y846-S848 VanDerWaalsContact C-N 3.33Å; Y846-S848 PolarHBondContact O-N 3.17Å; S848-K850 VanDerWaalsContact C-N 3.34Å; S848-K850 PolarHBondContact O-N 2.83Å; S848-Y851 WeakPolarHBondContact O-CB 3.25Å; S848-Y851 PolarHBondContact O-N 3.27Å; S848-I852 WeakPolarHBondContact O-CG1 3.48Å; S848-I852 PolarHBondContact O-N 2.82Å
849L89.7Confident79.4Confident4 Ų461.8 Ų61.82%0.02131%0.306CS..Hα-helixtrans-66.3-35.1175.4-65.8173.9000112.5L835 M838 Y845 Y846 Y851 I852 L853 I897 I900L835-L849 HydrophobicContact CD1-CB 3.63Å; L835-L849 HydrophobicContact CD1-CD1 3.95Å; L835-L849 HydrophobicContact CD1-CG 4.47Å; M838-L849 HydrophobicContact CE-CD1 4.01Å; Y845-L849 HydrophobicContact CD1-CD1 3.79Å; Y845-L849 HydrophobicContact CD1-CG 4.35Å; Y845-L849 HydrophobicContact CE1-CD1 3.79Å; Y845-L849 HydrophobicContact CE1-CG 4.38Å; Y845-L849 WeakPolarHBondContact O-CG 3.45Å; Y845-L849 PolarHBondContact O-N 3.28Å; Y846-L849 PolarHBondContact O-N 3.08Å; L849-Y851 VanDerWaalsContact C-N 3.34Å; L849-I852 HydrophobicContact CD2-CD1 4.49Å; L849-I852 PolarHBondContact O-N 3.07Å; L849-L853 WeakPolarHBondContact O-CB 3.3Å; L849-L853 PolarHBondContact O-N 3.41Å; L849-I897 HydrophobicContact CB-CG2 4.48Å; L849-I897 HydrophobicContact CD2-CG1 4.14Å; L849-I897 WeakPolarHBondContact O-CD1 3.36Å; L849-I900 HydrophobicContact CD1-CG2 3.82Å; L849-I900 HydrophobicContact CD2-CB 4.35Å; L849-I900 HydrophobicContact CD2-CG1 4.45Å; L849-I900 HydrophobicContact CD2-CG2 3.88Å; L849-I900 HydrophobicContact CG-CG2 4.46Å
850K88.8Confident80.1Confident82 Ų8260 Ų6036%0.35730%0.299SS..Hα-helixtrans-72.2-25.2175.8-169.4173.5-172.3172.70113Y846 R847 S848 K854Y846-K850 HydrophobicContact CD1-CD 4.48Å; Y846-K850 HydrophobicContact CE1-CD 3.74Å; Y846-K850 HydrophobicContact CE2-CD 4.17Å; Y846-K850 WeakPolarHBondContact O-CB 3.28Å; Y846-K850 PolarHBondContact O-N 3.22Å; Y846-K850 PolarHBondContact OH-NZ 2.84Å; R847-K850 CarbonylContact O-C 3.46Å; R847-K850 PolarHBondContact O-N 3.09Å; S848-K850 VanDerWaalsContact C-N 3.34Å; S848-K850 PolarHBondContact O-N 2.83Å; K850-K854 WeakPolarHBondContact O-CG 3.36Å
851Y90.5Very high81.6Confident116 Ų11661.8 Ų61.846%0.45530%0.303SS..Hα-helixtrans-72.4-51.2168.6178.1-95.2000110.4R847 S848 L849 L853 K854 E855 L860R847-Y851 WeakPolarHBondContact O-CB 3.18Å; R847-Y851 PolarHBondContact O-N 2.91Å; S848-Y851 WeakPolarHBondContact O-CB 3.25Å; S848-Y851 PolarHBondContact O-N 3.27Å; L849-Y851 VanDerWaalsContact C-N 3.34Å; Y851-L853 VanDerWaalsContact C-N 3.25Å; Y851-L853 PolarHBondContact O-N 2.88Å; Y851-K854 PolarHBondContact O-N 3.2Å; Y851-E855 HydrophobicContact CD2-CG 3.88Å; Y851-E855 HydrophobicContact CE1-CB 4.29Å; Y851-E855 HydrophobicContact CE1-CG 4.23Å; Y851-E855 HydrophobicContact CE2-CB 4.38Å; Y851-E855 HydrophobicContact CE2-CG 3.46Å; Y851-E855 VanDerWaalsContact CE2-CG 3.46Å; Y851-E855 HydrophobicContact CG-CG 4.42Å; Y851-E855 PolarHBondContact O-N 2.77Å; Y851-L860 HydrophobicContact CD1-CD1 4.37Å; Y851-L860 HydrophobicContact CE1-CD1 4.21Å; Y851-L860 HydrophobicContact CE1-CD2 4.42Å
852I91Very high82.9Confident14 Ų1463.8 Ų63.87%0.07231%0.314CS..Hα-helixtrans-54.5-42.1174.7-68163.9000110.9S848 L849 K854 P857 L860 L862 K893 Y896 I897S848-I852 WeakPolarHBondContact O-CG1 3.48Å; S848-I852 PolarHBondContact O-N 2.82Å; L849-I852 HydrophobicContact CD2-CD1 4.49Å; L849-I852 PolarHBondContact O-N 3.07Å; I852-K854 VanDerWaalsContact C-N 3.26Å; I852-K854 PolarHBondContact O-N 3.48Å; I852-P857 HydrophobicContact CG2-CB 4.22Å; I852-P857 HydrophobicContact CG2-CG 4.5Å; I852-L860 HydrophobicContact CG1-CD1 3.79Å; I852-L862 HydrophobicContact CD1-CD1 3.65Å; I852-L862 HydrophobicContact CG1-CD1 4.17Å; I852-K893 HydrophobicContact CG2-CB 4.33Å; I852-K893 VanDerWaalsContact O-CD 3.31Å; I852-K893 WeakPolarHBondContact O-CD 3.44Å; I852-Y896 HydrophobicContact CD1-CE1 4.17Å; I852-Y896 HydrophobicContact CG2-CD1 4.42Å; I852-I897 HydrophobicContact CG2-CD1 4.15Å; I852-I897 HydrophobicContact CG2-CG1 4.34Å
853L90.9Very high84.1Confident73 Ų7364.2 Ų64.238%0.38232%0.318SS..Hα-helixtrans-62-31.5177.8-173.857.5000113.5L835 L849 Y851 K893 I897L835-L853 HydrophobicContact CD2-CD2 3.83Å; L849-L853 WeakPolarHBondContact O-CB 3.3Å; L849-L853 PolarHBondContact O-N 3.41Å; Y851-L853 VanDerWaalsContact C-N 3.25Å; Y851-L853 PolarHBondContact O-N 2.88Å; L853-K893 WeakPolarHBondContact O-CE 3.43Å; L853-K893 PolarHBondContact O-NZ 3.24Å; L853-K893 VanDerWaalsContact O-NZ 3.09Å; L853-I897 HydrophobicContact CB-CD1 3.65Å; L853-I897 HydrophobicContact CD1-CD1 3.98Å; L853-I897 HydrophobicContact CG-CD1 4.33Å
854K90.2Very high85.6Confident146 Ų14662 Ų6264%0.63530%0.303SS*.Hα-helixtrans-85.5-63.8-179.4-73.7178.5171.1-164.40111.6K850 Y851 I852 K893K850-K854 WeakPolarHBondContact O-CG 3.36Å; Y851-K854 PolarHBondContact O-N 3.2Å; I852-K854 VanDerWaalsContact C-N 3.26Å; I852-K854 PolarHBondContact O-N 3.48Å; K854-K893 PolarHBondContact O-NZ 3Å
855E88Confident86.9Confident94 Ų9458.6 Ų58.644%0.43929%0.287SS..SBendtrans-78.9177-170.7-51.4-47.5135.100112.4Y851 P857 K893Y851-E855 HydrophobicContact CD2-CG 3.88Å; Y851-E855 HydrophobicContact CE1-CB 4.29Å; Y851-E855 HydrophobicContact CE1-CG 4.23Å; Y851-E855 HydrophobicContact CE2-CB 4.38Å; Y851-E855 HydrophobicContact CE2-CG 3.46Å; Y851-E855 VanDerWaalsContact CE2-CG 3.46Å; Y851-E855 HydrophobicContact CG-CG 4.42Å; Y851-E855 PolarHBondContact O-N 2.77Å; E855-P857 WeakPolarHBondContact O-CD 3.32Å; E855-K893 PolarHBondContact O-NZ 2.97Å
856D87.7Confident87.4Confident71 Ų7156.6 Ų56.638%0.3828%0.282SS..  trans-86.3112.6172.8-164.9-25.5000111.1I858 S859D856-I858 PolarHBondContact O-N 2.84Å; D856-I858 WeakPolarHBondContact OD1-CB 3.28Å; D856-I858 WeakPolarHBondContact OD1-CG1 3.3Å; D856-I858 PolarHBondContact OD1-N 2.85Å; D856-S859 PolarHBondContact O-OG 2.83Å
857P86.5Confident87.8Confident1 Ų161 Ų611%0.00630%0.303CS..G310 helixtrans-72.8-1.7-178.431.6-36.8000114.2I852 E855 S859 L860 L862 V888 K893I852-P857 HydrophobicContact CG2-CB 4.22Å; I852-P857 HydrophobicContact CG2-CG 4.5Å; E855-P857 WeakPolarHBondContact O-CD 3.32Å; P857-S859 PolarHBondContact O-N 3.25Å; P857-S859 VanDerWaalsContact O-N 3.13Å; P857-L860 HydrophobicContact CB-CD1 4.26Å; P857-L860 WeakPolarHBondContact O-CB 3.16Å; P857-L860 PolarHBondContact O-N 2.77Å; P857-L862 HydrophobicContact CB-CD1 4.49Å; P857-V888 HydrophobicContact CB-CG1 4.23Å; P857-V888 HydrophobicContact CG-CG1 3.83Å; P857-K893 HydrophobicContact CG-CB 4.03Å; P857-K893 HydrophobicContact CG-CD 4.32Å
858I82.5Confident87.5Confident79 Ų7957 Ų5741%0.40529%0.289SS..G310 helixtrans-52.7-35.1173.6-72.6170.1000111.1D856 L860 R887D856-I858 PolarHBondContact O-N 2.84Å; D856-I858 WeakPolarHBondContact OD1-CB 3.28Å; D856-I858 WeakPolarHBondContact OD1-CG1 3.3Å; D856-I858 PolarHBondContact OD1-N 2.85Å; I858-L860 VanDerWaalsContact C-N 3.26Å; I858-L860 PolarHBondContact O-N 3.32Å; I858-R887 PolarHBondContact O-NH2 3.26Å
859S83.2Confident86.5Confident88 Ų8859.6 Ų59.662%0.61530%0.298SS*.G310 helixtrans-69.7-14.3177.361.60000115.4D856 P857D856-S859 PolarHBondContact O-OG 2.83Å; P857-S859 PolarHBondContact O-N 3.25Å; P857-S859 VanDerWaalsContact O-N 3.13Å
860L84.8Confident85.2Confident45 Ų4562.2 Ų62.224%0.23631%0.31CS..G310 helixtrans-99.1-3.4-176.7-56.6175.6000113.2Y851 I852 P857 I858 L862Y851-L860 HydrophobicContact CD1-CD1 4.37Å; Y851-L860 HydrophobicContact CE1-CD1 4.21Å; Y851-L860 HydrophobicContact CE1-CD2 4.42Å; I852-L860 HydrophobicContact CG1-CD1 3.79Å; P857-L860 HydrophobicContact CB-CD1 4.26Å; P857-L860 WeakPolarHBondContact O-CB 3.16Å; P857-L860 PolarHBondContact O-N 2.77Å; I858-L860 VanDerWaalsContact C-N 3.26Å; I858-L860 PolarHBondContact O-N 3.32Å; L860-L862 HydrophobicContact CB-CD1 4.04Å; L860-L862 HydrophobicContact CB-CG 3.82Å; L860-L862 HydrophobicContact CD1-CD1 4.07Å; L860-L862 PolarHBondContact O-N 3.3Å
861D85.8Confident83.7Confident101 Ų10163.6 Ų63.654%0.5432%0.316SS..THydrogen-bonded Turntrans51.925.8-179.7-13843.3000115.5R887D861-R887 IonicContact OD1-CZ 3.72Å; D861-R887 IonicContact OD1-NH1 3.91Å; D861-R887 PolarHBondContact OD1-NH1 3.42Å; D861-R887 IonicContact OD1-NH2 3.54Å; D861-R887 PolarHBondContact OD1-NH2 2.81Å
862L89.5Confident82.3Confident43 Ų4360.3 Ų60.323%0.22532%0.318CS..  trans-68.6148.8-177.8-61.8172.8000112.8I852 P857 L860 V888 Y896I852-L862 HydrophobicContact CD1-CD1 3.65Å; I852-L862 HydrophobicContact CG1-CD1 4.17Å; P857-L862 HydrophobicContact CB-CD1 4.49Å; L860-L862 HydrophobicContact CB-CD1 4.04Å; L860-L862 HydrophobicContact CB-CG 3.82Å; L860-L862 HydrophobicContact CD1-CD1 4.07Å; L860-L862 PolarHBondContact O-N 3.3Å; L862-V888 HydrophobicContact CB-CB 3.93Å; L862-V888 HydrophobicContact CB-CG2 3.77Å; L862-V888 PolarHBondContact O-N 2.75Å; L862-Y896 HydrophobicContact CD1-CE1 4.19Å
863T92.3Very high81.2Confident44 Ų4466.4 Ų66.427%0.2735%0.346SS..BIsolated β-bridgetrans-115.6169.8173460000110.6S865 R884 I886 V888 Y896T863-S865 PolarHBondContact O-N 2.86Å; T863-S865 PolarHBondContact OG1-OG 3.05Å; T863-R884 VanDerWaalsContact CG2-O 3.23Å; T863-R884 WeakPolarHBondContact CG2-O 3.43Å; T863-I886 CarbonylContact C-O 3.42Å; T863-I886 WeakPolarHBondContact CA-O 3.3Å; T863-V888 WeakPolarHBondContact O-CG2 3.42Å; T863-Y896 WeakPolarHBondContact O-CE2 3.41Å
864M92.9Very high80.4Confident0 Ų067.2 Ų67.20%035%0.354CS..SBendtrans-80.246.5172.1-68.3-83.9-173.500111.5L879 I880 G883 I886 N892 Q895 Y896M864-L879 VanDerWaalsContact O-CB 3.31Å; M864-L879 WeakPolarHBondContact O-CB 3.05Å; M864-L879 PolarHBondContact O-N 3.07Å; M864-I880 HydrophobicContact CB-CD1 3.73Å; M864-I880 HydrophobicContact CB-CG1 3.82Å; M864-I880 HydrophobicContact CG-CD1 3.76Å; M864-I880 HydrophobicContact CG-CG1 4.4Å; M864-I880 HydrophobicContact SD-CD1 4.22Å; M864-G883 CarbonylContact C-O 3.59Å; M864-G883 WeakPolarHBondContact CA-O 3.5Å; M864-G883 WeakPolarHBondContact CB-O 3.38Å; M864-G883 PolarHBondContact N-O 3.09Å; M864-G883 CarbonylContact O-C 3.58Å; M864-G883 VanDerWaalsContact O-CA 3.29Å; M864-G883 WeakPolarHBondContact O-CA 3.27Å; M864-I886 HydrophobicContact CB-CB 4.28Å; M864-I886 HydrophobicContact CB-CG2 4.49Å; M864-I886 HydrophobicContact CG-CB 4.17Å; M864-I886 HydrophobicContact CG-CG2 3.85Å; M864-I886 WeakPolarHBondContact CG-O 3.29Å; M864-I886 PolarHBondContact N-O 2.9Å; M864-N892 HydrophobicContact CE-CB 3.72Å; M864-N892 VanDerWaalsContact CE-CG 3.47Å; M864-N892 WeakPolarHBondContact CE-O 3.5Å; M864-Q895 HydrophobicContact CE-CB 4.43Å; M864-Q895 HydrophobicContact CE-CG 4.42Å; M864-Y896 HydrophobicContact SD-CD2 3.91Å; M864-Y896 HydrophobicContact SD-CG 4.35Å
865S92.1Very high80Confident7 Ų762.9 Ų62.95%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-139.8169.5177.451.50000110.5T863 E876 V877T863-S865 PolarHBondContact O-N 2.86Å; T863-S865 PolarHBondContact OG1-OG 3.05Å; S865-E876 VanDerWaalsContact CB-OE1 3.25Å; S865-E876 WeakPolarHBondContact CB-OE1 3.2Å; S865-E876 PolarHBondContact OG-OE1 2.81Å; S865-V877 CarbonylContact C-O 3.34Å; S865-V877 WeakPolarHBondContact CA-O 3.42Å; S865-V877 WeakPolarHBondContact CB-O 3.48Å
866V88.5Confident79.9Confident22 Ų2262 Ų6213%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-138.4138.9177.7-161.40000110.2V877 L879 I900 W903V866-V877 PolarHBondContact N-O 2.99Å; V866-V877 PolarHBondContact O-N 2.91Å; V866-L879 HydrophobicContact CG2-CD1 3.87Å; V866-L879 HydrophobicContact CG2-CD2 3.63Å; V866-L879 HydrophobicContact CG2-CG 3.75Å; V866-I900 HydrophobicContact CG2-CD1 3.53Å; V866-W903 HydrophobicContact CB-CH2 4.26Å; V866-W903 HydrophobicContact CB-CZ2 4.31Å; V866-W903 HydrophobicContact CG1-CH2 3.73Å; V866-W903 HydrophobicContact CG1-CZ2 4.24Å; V866-W903 HydrophobicContact CG1-CZ3 3.98Å; V866-W903 HydrophobicContact CG2-CD2 4.45Å; V866-W903 HydrophobicContact CG2-CE3 4.32Å; V866-W903 HydrophobicContact CG2-CZ3 4.39Å
867E82.5Confident79.9Confident110 Ų11060.4 Ų60.451%0.51433%0.329SS..EExtended strand (participates in β ladder)trans-77.5121.6167.4-69177.4179.500110.3T465 T874T465-E867 PolarHBondContact OG1-OE1 2.87Å; T465-E867 PolarHBondContact OG1-OE2 3.32Å; E867-T874 HydrophobicContact CB-CG2 3.72Å; E867-T874 HydrophobicContact CG-CG2 3.94Å
868E73.4Confident80.2Confident27 Ų2762.8 Ų62.813%0.12634%0.341CS..EExtended strand (participates in β ladder)trans-123.5112.6176.5-168.7166.5-150.100111.6H870 V875 V877 W903 R908E868-H870 VanDerWaalsContact CG-CE1 3.45Å; E868-H870 WeakPolarHBondContact CG-CE1 3.33Å; E868-H870 PolarHBondContact O-N 2.9Å; E868-H870 PolarHBondContact O-ND1 2.85Å; E868-H870 IonicContact OE2-CE1 2.76Å; E868-V875 PolarHBondContact N-O 2.79Å; E868-V875 PolarHBondContact O-N 3.02Å; E868-V877 HydrophobicContact CB-CG2 4.23Å; E868-W903 HydrophobicContact CB-CZ2 4.31Å; E868-W903 HydrophobicContact CG-CZ2 4.31Å; E868-R908 WeakPolarHBondContact OE1-CD 3.25Å; E868-R908 IonicContact OE1-CZ 2.71Å; E868-R908 IonicContact OE1-NE 3.14Å; E868-R908 IonicContact OE1-NH1 2.78Å; E868-R908 PolarHBondContact OE1-NH1 2.88Å
869E64.9Low80.7Confident85 Ų8560.1 Ų60.140%0.39733%0.327SS..EExtended strand (participates in β ladder)trans-76.6101.1-176.7-171.6-175.1-174.800111.6G471G471-E869 VanDerWaalsContact CA-CD 3.48Å; G471-E869 VanDerWaalsContact CA-OE1 3.26Å; G471-E869 WeakPolarHBondContact CA-OE1 3.05Å; G471-E869 WeakPolarHBondContact CA-OE2 3.31Å; G471-E869 PolarHBondContact N-OE1 3.07Å; G471-E869 PolarHBondContact N-OE2 3.19Å
870H62.5Low81.1Confident58 Ų5857.7 Ų57.727%0.26931%0.307SS..EExtended strand (participates in β ladder)trans-98.5106.4176.9-71.180.1000110.1E868 G872 E873 V875E868-H870 VanDerWaalsContact CG-CE1 3.45Å; E868-H870 WeakPolarHBondContact CG-CE1 3.33Å; E868-H870 PolarHBondContact O-N 2.9Å; E868-H870 PolarHBondContact O-ND1 2.85Å; E868-H870 IonicContact OE2-CE1 2.76Å; H870-G872 PolarHBondContact O-N 3.49Å; H870-E873 PolarHBondContact N-O 2.81Å; H870-E873 WeakPolarHBondContact O-CB 3.38Å; H870-E873 PolarHBondContact O-N 2.81Å; H870-V875 HydrophobicContact CB-CG2 4.35Å
871F58.9Low81.3Confident111 Ų11165.1 Ų65.149%0.48734%0.338SS..THydrogen-bonded Turntrans52.524.4-177.6-53.8-78.4000115.5I475 V478 M790I475-F871 HydrophobicContact CG1-CB 4.35Å; I475-F871 HydrophobicContact CG1-CD1 4.2Å; V478-F871 HydrophobicContact CG1-CE1 4.43Å; M790-F871 HydrophobicContact CB-CZ 4.37Å; M790-F871 HydrophobicContact CE-CD2 4.5Å; M790-F871 HydrophobicContact CE-CE2 3.48Å; M790-F871 VanDerWaalsContact CE-CE2 3.48Å; M790-F871 HydrophobicContact CE-CZ 3.51Å; M790-F871 HydrophobicContact SD-CE2 3.55Å; M790-F871 VanDerWaalsContact SD-CE2 3.55Å; M790-F871 HydrophobicContact SD-CZ 3.85Å
872G59.9Low81.5Confident48 Ų4864.4 Ų64.450%0.49533%0.334SS..THydrogen-bonded Turntrans93.90.9-175.400000115H870H870-G872 PolarHBondContact O-N 3.49Å
873E67.7Low81.5Confident142 Ų14262.4 Ų62.466%0.66432%0.323SS*.EExtended strand (participates in β ladder)trans-94.4118.6165.5-176.3172.1-169.900109.4H870 V875H870-E873 PolarHBondContact N-O 2.81Å; H870-E873 WeakPolarHBondContact O-CB 3.38Å; H870-E873 PolarHBondContact O-N 2.81Å; E873-V875 HydrophobicContact CG-CG2 4.38Å; E873-V875 PolarHBondContact O-N 3.16Å
874T75.5Confident81.5Confident89 Ų8965 Ų6555%0.54633%0.328SS..EExtended strand (participates in β ladder)trans-79.4111.3176-53.20000110E867E867-T874 HydrophobicContact CB-CG2 3.72Å; E867-T874 HydrophobicContact CG-CG2 3.94Å
875V81Confident81.4Confident56 Ų5670.7 Ų70.734%0.33936%0.359SS..EExtended strand (participates in β ladder)trans-101.1126.1178.2-177.40000109.5E868 H870 E873 V877E868-V875 PolarHBondContact N-O 2.79Å; E868-V875 PolarHBondContact O-N 3.02Å; H870-V875 HydrophobicContact CB-CG2 4.35Å; E873-V875 HydrophobicContact CG-CG2 4.38Å; E873-V875 PolarHBondContact O-N 3.16Å; V875-V877 HydrophobicContact CG1-CG2 4.41Å
876E85.7Confident81.4Confident74 Ų7473.4 Ų73.435%0.34637%0.372SS..EExtended strand (participates in β ladder)trans-84.8113.1173.9-171.5-168.7-169.900110.9S865 R884S865-E876 VanDerWaalsContact CB-OE1 3.25Å; S865-E876 WeakPolarHBondContact CB-OE1 3.2Å; S865-E876 PolarHBondContact OG-OE1 2.81Å; E876-R884 PolarHBondContact O-NH2 2.75Å; E876-R884 WeakPolarHBondContact OE1-CB 3.21Å; E876-R884 IonicContact OE2-CZ 2.65Å; E876-R884 VanDerWaalsContact OE2-CZ 3.23Å; E876-R884 IonicContact OE2-NE 3.11Å; E876-R884 IonicContact OE2-NH1 3.85Å; E876-R884 PolarHBondContact OE2-NH1 3.26Å; E876-R884 IonicContact OE2-NH2 3.73Å
877V87.1Confident81.6Confident39 Ų3977.5 Ų77.524%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-100.4121.1-178.8-176.40000110.6S865 V866 E868 V875S865-V877 CarbonylContact C-O 3.34Å; S865-V877 WeakPolarHBondContact CA-O 3.42Å; S865-V877 WeakPolarHBondContact CB-O 3.48Å; V866-V877 PolarHBondContact N-O 2.99Å; V866-V877 PolarHBondContact O-N 2.91Å; E868-V877 HydrophobicContact CB-CG2 4.23Å; V875-V877 HydrophobicContact CG1-CG2 4.41Å
878D93.1Very high82.1Confident50 Ų5072.2 Ų72.227%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-71.7122.3175.3-85.233.9000111.5I880 D882 G883 R884D878-I880 VanDerWaalsContact C-N 3.35Å; D878-I880 WeakPolarHBondContact CB-O 2.87Å; D878-D882 VanDerWaalsContact OD2-CA 3.25Å; D878-D882 WeakPolarHBondContact OD2-CA 3.48Å; D878-D882 PolarHBondContact OD2-N 3.01Å; D878-G883 PolarHBondContact OD2-N 3.39Å; D878-R884 IonicContact OD1-CZ 3.52Å; D878-R884 IonicContact OD1-NE 3.83Å; D878-R884 PolarHBondContact OD1-NE 3.4Å; D878-R884 IonicContact OD1-NH2 2.88Å; D878-R884 PolarHBondContact OD1-NH2 3.32Å; D878-R884 IonicContact OD2-NE 3.07Å
879L92.5Very high83Confident23 Ų2373 Ų7312%0.1237%0.367CS..SBendtrans-76-24.4177.6-70173.1000113.5M864 V866 Y896 R899 I900 W903M864-L879 VanDerWaalsContact O-CB 3.31Å; M864-L879 WeakPolarHBondContact O-CB 3.05Å; M864-L879 PolarHBondContact O-N 3.07Å; V866-L879 HydrophobicContact CG2-CD1 3.87Å; V866-L879 HydrophobicContact CG2-CD2 3.63Å; V866-L879 HydrophobicContact CG2-CG 3.75Å; L879-Y896 HydrophobicContact CD1-CD2 3.8Å; L879-Y896 HydrophobicContact CD1-CE2 3.68Å; L879-R899 HydrophobicContact CB-CB 4.02Å; L879-R899 HydrophobicContact CD1-CB 4.3Å; L879-R899 HydrophobicContact CD2-CB 4.43Å; L879-I900 HydrophobicContact CD1-CD1 3.69Å; L879-I900 HydrophobicContact CD1-CG1 3.88Å; L879-I900 HydrophobicContact CD2-CD1 4.37Å; L879-W903 HydrophobicContact CD2-CB 3.73Å; L879-W903 HydrophobicContact CD2-CD2 4.41Å; L879-W903 HydrophobicContact CD2-CG 3.93Å
880I91.9Very high84.3Confident38 Ų3873.3 Ų73.320%0.19537%0.371CS..SBendtrans-139.3159.117462.5-175.8000107.1M864 D878 D882 G883 I886 R899M864-I880 HydrophobicContact CB-CD1 3.73Å; M864-I880 HydrophobicContact CB-CG1 3.82Å; M864-I880 HydrophobicContact CG-CD1 3.76Å; M864-I880 HydrophobicContact CG-CG1 4.4Å; M864-I880 HydrophobicContact SD-CD1 4.22Å; D878-I880 VanDerWaalsContact C-N 3.35Å; D878-I880 WeakPolarHBondContact CB-O 2.87Å; I880-D882 PolarHBondContact O-N 3.38Å; I880-D882 VanDerWaalsContact O-N 3.15Å; I880-G883 WeakPolarHBondContact O-CA 3.3Å; I880-G883 PolarHBondContact O-N 3.31Å; I880-I886 HydrophobicContact CD1-CD1 3.7Å; I880-I886 HydrophobicContact CD1-CG2 4.4Å; I880-I886 HydrophobicContact CG1-CD1 4.21Å; I880-R899 HydrophobicContact CG2-CG 3.97Å
881K89.7Confident85.7Confident200 Ų20078 Ų7887%0.8740%0.398SS*.THydrogen-bonded Turntrans-53.6123.7177.3-178.3-176.4176.4-174.80110.8G883K881-G883 VanDerWaalsContact C-N 3.28Å
882D89.2Confident87.4Confident87 Ų8774 Ų7447%0.46538%0.382SS..THydrogen-bonded Turntrans65.827.1-177.8-156.531.6000114D878 I880 R884 N885D878-D882 VanDerWaalsContact OD2-CA 3.25Å; D878-D882 WeakPolarHBondContact OD2-CA 3.48Å; D878-D882 PolarHBondContact OD2-N 3.01Å; I880-D882 PolarHBondContact O-N 3.38Å; I880-D882 VanDerWaalsContact O-N 3.15Å; D882-R884 VanDerWaalsContact C-N 3.31Å; D882-R884 PolarHBondContact O-N 3.17Å; D882-N885 PolarHBondContact O-N 2.85Å; D882-N885 PolarHBondContact OD1-ND2 3.28Å
883G91.1Very high89Confident0 Ų072.4 Ų72.40%036%0.362CS..G310 helixtrans-62.8-30.2-171.600000114.8M864 D878 I880 K881 N885 I886M864-G883 CarbonylContact C-O 3.59Å; M864-G883 WeakPolarHBondContact CA-O 3.5Å; M864-G883 WeakPolarHBondContact CB-O 3.38Å; M864-G883 PolarHBondContact N-O 3.09Å; M864-G883 CarbonylContact O-C 3.58Å; M864-G883 VanDerWaalsContact O-CA 3.29Å; M864-G883 WeakPolarHBondContact O-CA 3.27Å; D878-G883 PolarHBondContact OD2-N 3.39Å; I880-G883 WeakPolarHBondContact O-CA 3.3Å; I880-G883 PolarHBondContact O-N 3.31Å; K881-G883 VanDerWaalsContact C-N 3.28Å; G883-N885 PolarHBondContact O-N 3.3Å; G883-I886 PolarHBondContact O-N 3.29Å
884R91.1Very high90.3Very high99 Ų9969.2 Ų69.237%0.37435%0.352SS..G310 helixtrans-58.2-29.2172.767-171.166.1-138.7-4.9113.8T863 E876 D878 D882 I886T863-R884 VanDerWaalsContact CG2-O 3.23Å; T863-R884 WeakPolarHBondContact CG2-O 3.43Å; E876-R884 PolarHBondContact O-NH2 2.75Å; E876-R884 WeakPolarHBondContact OE1-CB 3.21Å; E876-R884 IonicContact OE2-CZ 2.65Å; E876-R884 VanDerWaalsContact OE2-CZ 3.23Å; E876-R884 IonicContact OE2-NE 3.11Å; E876-R884 IonicContact OE2-NH1 3.85Å; E876-R884 PolarHBondContact OE2-NH1 3.26Å; E876-R884 IonicContact OE2-NH2 3.73Å; D878-R884 IonicContact OD1-CZ 3.52Å; D878-R884 IonicContact OD1-NE 3.83Å; D878-R884 PolarHBondContact OD1-NE 3.4Å; D878-R884 IonicContact OD1-NH2 2.88Å; D878-R884 PolarHBondContact OD1-NH2 3.32Å; D878-R884 IonicContact OD2-NE 3.07Å; D882-R884 VanDerWaalsContact C-N 3.31Å; D882-R884 PolarHBondContact O-N 3.17Å; R884-I886 VanDerWaalsContact C-N 3.35Å
885N90.9Very high91.2Very high120 Ų12069 Ų6964%0.64235%0.345SS*.G310 helixtrans-89.1-0.7178-69.9-51.6000113.1D882 G883D882-N885 PolarHBondContact O-N 2.85Å; D882-N885 PolarHBondContact OD1-ND2 3.28Å; G883-N885 PolarHBondContact O-N 3.3Å
886I92.6Very high91.8Very high63 Ų6367.2 Ų67.232%0.32333%0.332SS..SBendtrans-112.398.8-174.8-59.8169.6000109.4T863 M864 I880 G883 R884T863-I886 CarbonylContact C-O 3.42Å; T863-I886 WeakPolarHBondContact CA-O 3.3Å; M864-I886 HydrophobicContact CB-CB 4.28Å; M864-I886 HydrophobicContact CB-CG2 4.49Å; M864-I886 HydrophobicContact CG-CB 4.17Å; M864-I886 HydrophobicContact CG-CG2 3.85Å; M864-I886 WeakPolarHBondContact CG-O 3.29Å; M864-I886 PolarHBondContact N-O 2.9Å; I880-I886 HydrophobicContact CD1-CD1 3.7Å; I880-I886 HydrophobicContact CD1-CG2 4.4Å; I880-I886 HydrophobicContact CG1-CD1 4.21Å; G883-I886 PolarHBondContact O-N 3.29Å; R884-I886 VanDerWaalsContact C-N 3.35Å
887R92.5Very high92.2Very high108 Ų10864.1 Ų64.141%0.40832%0.318SS..BIsolated β-bridgetrans-60.2140.7177-165.4-169.9-178.5102.13.9111.8I858 D861 N892I858-R887 PolarHBondContact O-NH2 3.26Å; D861-R887 IonicContact OD1-CZ 3.72Å; D861-R887 IonicContact OD1-NH1 3.91Å; D861-R887 PolarHBondContact OD1-NH1 3.42Å; D861-R887 IonicContact OD1-NH2 3.54Å; D861-R887 PolarHBondContact OD1-NH2 2.81Å; R887-N892 PolarHBondContact O-ND2 3.12Å
888V92.1Very high92.5Very high0 Ų068.1 Ų68.10%033%0.334CS..  trans-77.4132.7168.2-169.40000109.4P857 L862 T863 N892 K893 Y896P857-V888 HydrophobicContact CB-CG1 4.23Å; P857-V888 HydrophobicContact CG-CG1 3.83Å; L862-V888 HydrophobicContact CB-CB 3.93Å; L862-V888 HydrophobicContact CB-CG2 3.77Å; L862-V888 PolarHBondContact O-N 2.75Å; T863-V888 WeakPolarHBondContact O-CG2 3.42Å; V888-N892 WeakPolarHBondContact CA-OD1 3.21Å; V888-K893 HydrophobicContact CG1-CB 4.11Å; V888-Y896 HydrophobicContact CG1-CD1 4.33Å; V888-Y896 HydrophobicContact CG1-CG 4.1Å; V888-Y896 HydrophobicContact CG2-CD1 4.35Å; V888-Y896 HydrophobicContact CG2-CD2 3.52Å; V888-Y896 HydrophobicContact CG2-CE2 3.95Å; V888-Y896 HydrophobicContact CG2-CG 3.73Å
889T92.4Very high92.5Very high44 Ų4470.7 Ų70.727%0.2734%0.34SS..  trans-138166-174.561.30000109N891 N892 K893T889-N891 PolarHBondContact O-N 2.74Å; T889-N892 PolarHBondContact N-OD1 2.76Å; T889-N892 PolarHBondContact O-N 2.88Å; T889-N892 VanDerWaalsContact O-N 3.14Å; T889-N892 PolarHBondContact O-OD1 3.08Å; T889-N892 PolarHBondContact OG1-OD1 3.39Å; T889-K893 WeakPolarHBondContact O-CB 3.36Å; T889-K893 PolarHBondContact O-N 2.91Å
890N92.2Very high92.5Very high90 Ų9069.6 Ų69.648%0.48133%0.334SS..THydrogen-bonded Turntrans-55.4-22.6177.1-16241.9000114.5K893N890-K893 WeakPolarHBondContact OD1-CE 3.42Å; N890-K893 PolarHBondContact OD1-NZ 2.88Å
891N93.2Very high92.5Very high156 Ų15668.3 Ų68.383%0.83433%0.327SS*.THydrogen-bonded Turntrans-86.3-27.8180-170.964.5000114.7T889T889-N891 PolarHBondContact O-N 2.74Å
892N94.1Very high92.7Very high28 Ų2862 Ų6215%0.1530%0.303CS..THydrogen-bonded Turntrans-112.90.4-178.369.15.5000113.9M864 R887 V888 T889 T894 Q895 Y896M864-N892 HydrophobicContact CE-CB 3.72Å; M864-N892 VanDerWaalsContact CE-CG 3.47Å; M864-N892 WeakPolarHBondContact CE-O 3.5Å; R887-N892 PolarHBondContact O-ND2 3.12Å; V888-N892 WeakPolarHBondContact CA-OD1 3.21Å; T889-N892 PolarHBondContact N-OD1 2.76Å; T889-N892 PolarHBondContact O-N 2.88Å; T889-N892 VanDerWaalsContact O-N 3.14Å; T889-N892 PolarHBondContact O-OD1 3.08Å; T889-N892 PolarHBondContact OG1-OD1 3.39Å; N892-T894 VanDerWaalsContact C-N 3.28Å; N892-T894 PolarHBondContact O-N 2.81Å; N892-Q895 WeakPolarHBondContact O-CB 3.31Å; N892-Q895 PolarHBondContact O-N 2.83Å; N892-Y896 PolarHBondContact O-N 3Å
893K94Very high92.8Very high15 Ų1559.2 Ų59.27%0.06529%0.286CS..Hα-helixtrans-56.3-33.6-178.969.9-175.3-167.2-178.90115.1I852 L853 K854 E855 P857 V888 T889 N890 Y896 I897I852-K893 HydrophobicContact CG2-CB 4.33Å; I852-K893 VanDerWaalsContact O-CD 3.31Å; I852-K893 WeakPolarHBondContact O-CD 3.44Å; L853-K893 WeakPolarHBondContact O-CE 3.43Å; L853-K893 PolarHBondContact O-NZ 3.24Å; L853-K893 VanDerWaalsContact O-NZ 3.09Å; K854-K893 PolarHBondContact O-NZ 3Å; E855-K893 PolarHBondContact O-NZ 2.97Å; P857-K893 HydrophobicContact CG-CB 4.03Å; P857-K893 HydrophobicContact CG-CD 4.32Å; V888-K893 HydrophobicContact CG1-CB 4.11Å; T889-K893 WeakPolarHBondContact O-CB 3.36Å; T889-K893 PolarHBondContact O-N 2.91Å; N890-K893 WeakPolarHBondContact OD1-CE 3.42Å; N890-K893 PolarHBondContact OD1-NZ 2.88Å; K893-Y896 WeakPolarHBondContact O-CB 3.47Å; K893-Y896 PolarHBondContact O-N 3.34Å; K893-I897 VanDerWaalsContact O-CG1 3.31Å; K893-I897 WeakPolarHBondContact O-CG1 3.32Å; K893-I897 PolarHBondContact O-N 2.82Å
894T93.7Very high92.7Very high75 Ų7560.7 Ų60.746%0.4629%0.292SS..Hα-helixtrans-64.3-45.6175-47.50000111.1N892 Y896 I897 E898N892-T894 VanDerWaalsContact C-N 3.28Å; N892-T894 PolarHBondContact O-N 2.81Å; T894-Y896 VanDerWaalsContact C-N 3.34Å; T894-Y896 PolarHBondContact O-N 2.8Å; T894-I897 PolarHBondContact O-N 3.19Å; T894-E898 WeakPolarHBondContact O-CG 3.33Å; T894-E898 PolarHBondContact O-N 2.81Å
895Q94.3Very high92.6Very high85 Ų8556.2 Ų56.240%0.39728%0.275SS..Hα-helixtrans-63.1-39.1175.5177.9-178.972.700111.6M864 N892 E898 R899M864-Q895 HydrophobicContact CE-CB 4.43Å; M864-Q895 HydrophobicContact CE-CG 4.42Å; N892-Q895 WeakPolarHBondContact O-CB 3.31Å; N892-Q895 PolarHBondContact O-N 2.83Å; Q895-E898 PolarHBondContact O-N 3.3Å; Q895-R899 HydrophobicContact CG-CG 4.38Å; Q895-R899 WeakPolarHBondContact O-CB 3.49Å; Q895-R899 WeakPolarHBondContact O-CG 3.35Å; Q895-R899 PolarHBondContact O-N 3.05Å
896Y94.4Very high92.7Very high18 Ų1852.3 Ų52.37%0.07126%0.255CS..Hα-helixtrans-58-49.6173.2175-104.2000111.2I852 L862 T863 M864 L879 V888 N892 K893 T894 E898 R899 I900I852-Y896 HydrophobicContact CD1-CE1 4.17Å; I852-Y896 HydrophobicContact CG2-CD1 4.42Å; L862-Y896 HydrophobicContact CD1-CE1 4.19Å; T863-Y896 WeakPolarHBondContact O-CE2 3.41Å; M864-Y896 HydrophobicContact SD-CD2 3.91Å; M864-Y896 HydrophobicContact SD-CG 4.35Å; L879-Y896 HydrophobicContact CD1-CD2 3.8Å; L879-Y896 HydrophobicContact CD1-CE2 3.68Å; V888-Y896 HydrophobicContact CG1-CD1 4.33Å; V888-Y896 HydrophobicContact CG1-CG 4.1Å; V888-Y896 HydrophobicContact CG2-CD1 4.35Å; V888-Y896 HydrophobicContact CG2-CD2 3.52Å; V888-Y896 HydrophobicContact CG2-CE2 3.95Å; V888-Y896 HydrophobicContact CG2-CG 3.73Å; N892-Y896 PolarHBondContact O-N 3Å; K893-Y896 WeakPolarHBondContact O-CB 3.47Å; K893-Y896 PolarHBondContact O-N 3.34Å; T894-Y896 VanDerWaalsContact C-N 3.34Å; T894-Y896 PolarHBondContact O-N 2.8Å; Y896-E898 PolarHBondContact O-N 3.11Å; Y896-R899 PolarHBondContact O-N 3.07Å; Y896-I900 HydrophobicContact CD1-CG1 4.22Å; Y896-I900 HydrophobicContact CD2-CG1 4.29Å; Y896-I900 HydrophobicContact CE1-CD1 4.36Å; Y896-I900 HydrophobicContact CE1-CG1 3.88Å; Y896-I900 HydrophobicContact CE2-CD1 4.02Å; Y896-I900 HydrophobicContact CE2-CG1 3.96Å; Y896-I900 HydrophobicContact CG-CG1 4.42Å; Y896-I900 WeakPolarHBondContact O-CB 3.4Å; Y896-I900 VanDerWaalsContact O-CG1 3.25Å; Y896-I900 WeakPolarHBondContact O-CG1 3.36Å; Y896-I900 PolarHBondContact O-N 3.37Å
897I93.2Very high92.7Very high8 Ų852 Ų524%0.04126%0.259CS..Hα-helixtrans-62.9-43179.4-66164.7000111.7L835 L849 I852 L853 K893 T894 R899 I900 I901L835-I897 HydrophobicContact CD1-CG2 4.28Å; L835-I897 HydrophobicContact CD2-CG2 4.41Å; L849-I897 HydrophobicContact CB-CG2 4.48Å; L849-I897 HydrophobicContact CD2-CG1 4.14Å; L849-I897 WeakPolarHBondContact O-CD1 3.36Å; I852-I897 HydrophobicContact CG2-CD1 4.15Å; I852-I897 HydrophobicContact CG2-CG1 4.34Å; L853-I897 HydrophobicContact CB-CD1 3.65Å; L853-I897 HydrophobicContact CD1-CD1 3.98Å; L853-I897 HydrophobicContact CG-CD1 4.33Å; K893-I897 VanDerWaalsContact O-CG1 3.31Å; K893-I897 WeakPolarHBondContact O-CG1 3.32Å; K893-I897 PolarHBondContact O-N 2.82Å; T894-I897 PolarHBondContact O-N 3.19Å; I897-R899 PolarHBondContact O-N 3.14Å; I897-I900 PolarHBondContact O-N 3.4Å; I897-I901 HydrophobicContact CG2-CD1 3.72Å; I897-I901 HydrophobicContact CG2-CG1 4.47Å; I897-I901 WeakPolarHBondContact O-CD1 3.47Å; I897-I901 VanDerWaalsContact O-CG1 3.24Å; I897-I901 WeakPolarHBondContact O-CG1 3.09Å; I897-I901 PolarHBondContact O-N 2.86Å
898E93.6Very high92.6Very high123 Ų12349.5 Ų49.558%0.57525%0.25SC*.Hα-helixtrans-59.9-43.9175.2-73.7172.4178.300112.2T894 Q895 Y896 I901 N902T894-E898 WeakPolarHBondContact O-CG 3.33Å; T894-E898 PolarHBondContact O-N 2.81Å; Q895-E898 PolarHBondContact O-N 3.3Å; Y896-E898 PolarHBondContact O-N 3.11Å; E898-I901 PolarHBondContact O-N 3.26Å; E898-N902 WeakPolarHBondContact O-CB 3.48Å; E898-N902 PolarHBondContact O-N 2.62Å
899R94.5Very high92.7Very high105 Ų10550 Ų5040%0.39625%0.252SS..Hα-helixtrans-67.4-41.6177.8-68.1-72.3173.4-142.7-5.5112.1L879 I880 Q895 Y896 I897 I901 N902 W903L879-R899 HydrophobicContact CB-CB 4.02Å; L879-R899 HydrophobicContact CD1-CB 4.3Å; L879-R899 HydrophobicContact CD2-CB 4.43Å; I880-R899 HydrophobicContact CG2-CG 3.97Å; Q895-R899 HydrophobicContact CG-CG 4.38Å; Q895-R899 WeakPolarHBondContact O-CB 3.49Å; Q895-R899 WeakPolarHBondContact O-CG 3.35Å; Q895-R899 PolarHBondContact O-N 3.05Å; Y896-R899 PolarHBondContact O-N 3.07Å; I897-R899 PolarHBondContact O-N 3.14Å; R899-I901 PolarHBondContact O-N 3.33Å; R899-N902 PolarHBondContact O-N 2.85Å; R899-W903 WeakPolarHBondContact O-CB 3.19Å; R899-W903 PolarHBondContact O-N 3.22Å
900I92.5Very high92.9Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-56.7-48.2172.6-72.8-74.9000111Y845 L849 V866 L879 Y896 I897 W903 R904Y845-I900 HydrophobicContact CE1-CG2 3.49Å; Y845-I900 VanDerWaalsContact CE1-CG2 3.49Å; Y845-I900 VanDerWaalsContact OH-CG2 3.27Å; Y845-I900 WeakPolarHBondContact OH-CG2 3.43Å; L849-I900 HydrophobicContact CD1-CG2 3.82Å; L849-I900 HydrophobicContact CD2-CB 4.35Å; L849-I900 HydrophobicContact CD2-CG1 4.45Å; L849-I900 HydrophobicContact CD2-CG2 3.88Å; L849-I900 HydrophobicContact CG-CG2 4.46Å; V866-I900 HydrophobicContact CG2-CD1 3.53Å; L879-I900 HydrophobicContact CD1-CD1 3.69Å; L879-I900 HydrophobicContact CD1-CG1 3.88Å; L879-I900 HydrophobicContact CD2-CD1 4.37Å; Y896-I900 HydrophobicContact CD1-CG1 4.22Å; Y896-I900 HydrophobicContact CD2-CG1 4.29Å; Y896-I900 HydrophobicContact CE1-CD1 4.36Å; Y896-I900 HydrophobicContact CE1-CG1 3.88Å; Y896-I900 HydrophobicContact CE2-CD1 4.02Å; Y896-I900 HydrophobicContact CE2-CG1 3.96Å; Y896-I900 HydrophobicContact CG-CG1 4.42Å; Y896-I900 WeakPolarHBondContact O-CB 3.4Å; Y896-I900 VanDerWaalsContact O-CG1 3.25Å; Y896-I900 WeakPolarHBondContact O-CG1 3.36Å; Y896-I900 PolarHBondContact O-N 3.37Å; I897-I900 PolarHBondContact O-N 3.4Å; I900-W903 PolarHBondContact O-N 2.97Å; I900-R904 WeakPolarHBondContact O-CB 3.41Å; I900-R904 PolarHBondContact O-N 3.48Å
901I90.7Very high93.1Very high11 Ų1156.1 Ų56.16%0.05627%0.273CS..Hα-helixtrans-63.9-43-179.5-68.6162.7000110.8I833 L835 M838 I897 E898 R899 F905I833-I901 HydrophobicContact CB-CG2 4.12Å; I833-I901 HydrophobicContact CG2-CG2 3.82Å; L835-I901 HydrophobicContact CB-CD1 3.91Å; L835-I901 HydrophobicContact CD1-CD1 4.24Å; M838-I901 HydrophobicContact CE-CG1 4.05Å; I897-I901 HydrophobicContact CG2-CD1 3.72Å; I897-I901 HydrophobicContact CG2-CG1 4.47Å; I897-I901 WeakPolarHBondContact O-CD1 3.47Å; I897-I901 VanDerWaalsContact O-CG1 3.24Å; I897-I901 WeakPolarHBondContact O-CG1 3.09Å; I897-I901 PolarHBondContact O-N 2.86Å; E898-I901 PolarHBondContact O-N 3.26Å; R899-I901 PolarHBondContact O-N 3.33Å; I901-F905 HydrophobicContact CG2-CD2 4.19Å; I901-F905 PolarHBondContact O-N 3.29Å
902N93.6Very high93.2Very high67 Ų6749.1 Ų49.136%0.35824%0.235SC..Hα-helixtrans-64.6-44.3177.5-178-121.3000112.1E898 R899 V906 S907E898-N902 WeakPolarHBondContact O-CB 3.48Å; E898-N902 PolarHBondContact O-N 2.62Å; R899-N902 PolarHBondContact O-N 2.85Å; N902-V906 WeakPolarHBondContact O-CA 3.45Å; N902-V906 VanDerWaalsContact O-CB 3.26Å; N902-V906 WeakPolarHBondContact O-CB 3.3Å; N902-V906 PolarHBondContact O-N 2.76Å; N902-S907 PolarHBondContact O-N 3.03Å; N902-S907 PolarHBondContact O-OG 2.81Å
903W93.1Very high93.4Very high29 Ų2948.2 Ų48.211%0.1123%0.23CC..Iπ-helixtrans-63.3-51.2175167.684.3000112.2V866 E868 L879 R899 I900 F905 R908V866-W903 HydrophobicContact CB-CH2 4.26Å; V866-W903 HydrophobicContact CB-CZ2 4.31Å; V866-W903 HydrophobicContact CG1-CH2 3.73Å; V866-W903 HydrophobicContact CG1-CZ2 4.24Å; V866-W903 HydrophobicContact CG1-CZ3 3.98Å; V866-W903 HydrophobicContact CG2-CD2 4.45Å; V866-W903 HydrophobicContact CG2-CE3 4.32Å; V866-W903 HydrophobicContact CG2-CZ3 4.39Å; E868-W903 HydrophobicContact CB-CZ2 4.31Å; E868-W903 HydrophobicContact CG-CZ2 4.31Å; L879-W903 HydrophobicContact CD2-CB 3.73Å; L879-W903 HydrophobicContact CD2-CD2 4.41Å; L879-W903 HydrophobicContact CD2-CG 3.93Å; R899-W903 WeakPolarHBondContact O-CB 3.19Å; R899-W903 PolarHBondContact O-N 3.22Å; I900-W903 PolarHBondContact O-N 2.97Å; W903-F905 VanDerWaalsContact C-N 3.29Å; W903-F905 PolarHBondContact O-N 2.79Å; W903-R908 WeakPolarHBondContact O-CG 3.4Å
904R88.9Confident93.6Very high30 Ų3051 Ų5111%0.11325%0.251CS..Iπ-helixtrans-60.8-34.2-174.5173.957.6-172.784.7-5.5113.3M838 I900 R908M838-R904 HydrophobicContact CE-CB 4.41Å; M838-R904 HydrophobicContact CE-CG 4.08Å; M838-R904 HydrophobicContact SD-CG 4.38Å; I900-R904 WeakPolarHBondContact O-CB 3.41Å; I900-R904 PolarHBondContact O-N 3.48Å; R904-R908 PolarHBondContact O-NH2 2.99Å
905F88.6Confident93.7Very high6 Ų647.9 Ų47.93%0.02623%0.232CC..Iπ-helixtrans-116.3-22.4-172.9-67.2-56.1000116.4I821 P823 M827 I833 M838 V841 I901 W903 V909I821-F905 HydrophobicContact CD1-CD1 4.09Å; I821-F905 HydrophobicContact CD1-CE1 3.98Å; P823-F905 HydrophobicContact CB-CB 4.35Å; P823-F905 HydrophobicContact CB-CD1 4.08Å; P823-F905 HydrophobicContact CB-CG 4.12Å; P823-F905 HydrophobicContact CG-CD1 4.03Å; P823-F905 HydrophobicContact CG-CD2 4.31Å; P823-F905 HydrophobicContact CG-CE1 3.99Å; P823-F905 HydrophobicContact CG-CE2 4.23Å; P823-F905 HydrophobicContact CG-CG 4.2Å; P823-F905 HydrophobicContact CG-CZ 4.07Å; M827-F905 VanDerWaalsContact CE-O 3.23Å; M827-F905 WeakPolarHBondContact CE-O 3.24Å; M827-F905 VanDerWaalsContact SD-O 3.41Å; I833-F905 HydrophobicContact CD1-CB 3.74Å; I833-F905 HydrophobicContact CD1-CG 4.5Å; I833-F905 HydrophobicContact CG2-CD2 3.74Å; I833-F905 HydrophobicContact CG2-CE2 4.17Å; I833-F905 HydrophobicContact CG2-CG 4.5Å; M838-F905 HydrophobicContact CB-CE2 4.43Å; M838-F905 HydrophobicContact CE-CD2 4.2Å; M838-F905 HydrophobicContact CE-CE2 3.45Å; M838-F905 VanDerWaalsContact CE-CE2 3.45Å; M838-F905 HydrophobicContact CE-CZ 3.99Å; M838-F905 HydrophobicContact SD-CE2 3.52Å; M838-F905 VanDerWaalsContact SD-CE2 3.52Å; M838-F905 HydrophobicContact SD-CZ 3.41Å; M838-F905 WeakPolarHBondContact SD-CZ 3.36Å; V841-F905 HydrophobicContact CB-CE1 4.21Å; V841-F905 HydrophobicContact CB-CZ 4.12Å; V841-F905 HydrophobicContact CG1-CE1 3.95Å; V841-F905 HydrophobicContact CG1-CZ 4.32Å; V841-F905 HydrophobicContact CG2-CE1 4.36Å; V841-F905 HydrophobicContact CG2-CZ 4.32Å; I901-F905 HydrophobicContact CG2-CD2 4.19Å; I901-F905 PolarHBondContact O-N 3.29Å; W903-F905 VanDerWaalsContact C-N 3.29Å; W903-F905 PolarHBondContact O-N 2.79Å; F905-V909 WeakPolarHBondContact O-CG2 3.39Å
906V93.3Very high93.9Very high38 Ų3843.9 Ų43.923%0.2321%0.213CC..Iπ-helixtrans-114-63.7-176-169.70000110.7M827 I833 N902 R908 V909 E910M827-V906 HydrophobicContact CG-CG2 4.48Å; M827-V906 HydrophobicContact SD-CB 4.46Å; M827-V906 HydrophobicContact SD-CG1 4.39Å; M827-V906 HydrophobicContact SD-CG2 4.13Å; I833-V906 HydrophobicContact CD1-CG2 3.71Å; N902-V906 WeakPolarHBondContact O-CA 3.45Å; N902-V906 VanDerWaalsContact O-CB 3.26Å; N902-V906 WeakPolarHBondContact O-CB 3.3Å; N902-V906 PolarHBondContact O-N 2.76Å; V906-R908 VanDerWaalsContact C-N 3.26Å; V906-R908 PolarHBondContact O-N 2.91Å; V906-R908 VanDerWaalsContact O-N 3.12Å; V906-V909 CarbonylContact O-C 3.54Å; V906-V909 PolarHBondContact O-N 3.06Å; V906-E910 PolarHBondContact O-N 3.36Å
907S91.7Very high94Very high57 Ų5744.3 Ų44.340%0.39922%0.217SC..Iπ-helixtrans-58.6-35.5-168.4-45.30000113.6N902 V909N902-S907 PolarHBondContact O-N 3.03Å; N902-S907 PolarHBondContact O-OG 2.81Å; S907-V909 VanDerWaalsContact C-N 3.33Å; S907-V909 PolarHBondContact O-N 3.33Å
908R91.6Very high94.2Very high55 Ų5548.8 Ų48.821%0.20824%0.238CC..THydrogen-bonded Turntrans-77.6-10.7179.5-65.2-167.4-51.9146.914.4115P786 E868 W903 R904 V906P786-R908 HydrophobicContact CB-CB 4.13Å; P786-R908 HydrophobicContact CG-CB 4.35Å; E868-R908 WeakPolarHBondContact OE1-CD 3.25Å; E868-R908 IonicContact OE1-CZ 2.71Å; E868-R908 IonicContact OE1-NE 3.14Å; E868-R908 IonicContact OE1-NH1 2.78Å; E868-R908 PolarHBondContact OE1-NH1 2.88Å; W903-R908 WeakPolarHBondContact O-CG 3.4Å; R904-R908 PolarHBondContact O-NH2 2.99Å; V906-R908 VanDerWaalsContact C-N 3.26Å; V906-R908 PolarHBondContact O-N 2.91Å; V906-R908 VanDerWaalsContact O-N 3.12Å
909V94.1Very high94.3Very high10 Ų1043 Ų436%0.06121%0.21CC..THydrogen-bonded Turntrans-130.47.9-177.8-60.10000113.4I784 P786 M827 F905 V906 S907 K911 Q912 M913I784-V909 HydrophobicContact CB-CB 4.14Å; I784-V909 HydrophobicContact CB-CG1 3.94Å; I784-V909 HydrophobicContact CG2-CB 3.9Å; I784-V909 HydrophobicContact CG2-CG1 3.75Å; P786-V909 HydrophobicContact CB-CG1 4.47Å; P786-V909 HydrophobicContact CG-CG1 4.1Å; M827-V909 HydrophobicContact CE-CG2 4.26Å; M827-V909 HydrophobicContact SD-CG2 4.39Å; F905-V909 WeakPolarHBondContact O-CG2 3.39Å; V906-V909 CarbonylContact O-C 3.54Å; V906-V909 PolarHBondContact O-N 3.06Å; S907-V909 VanDerWaalsContact C-N 3.33Å; S907-V909 PolarHBondContact O-N 3.33Å; V909-K911 PolarHBondContact O-N 2.88Å; V909-Q912 VanDerWaalsContact C-OE1 3.31Å; V909-Q912 WeakPolarHBondContact O-CB 3.4Å; V909-Q912 PolarHBondContact O-N 2.81Å; V909-Q912 PolarHBondContact O-OE1 2.82Å; V909-M913 WeakPolarHBondContact O-CB 3.34Å; V909-M913 PolarHBondContact O-N 3.15Å
910E94.7Very high94.4Very high112 Ų11238 Ų3852%0.52319%0.192SC..Hα-helixtrans-54.9-47.8-173.7-178.6178.4-136.200112.3V906 Q912 M913 C914V906-E910 PolarHBondContact O-N 3.36Å; E910-Q912 VanDerWaalsContact C-N 3.35Å; E910-Q912 PolarHBondContact O-N 3.39Å; E910-M913 PolarHBondContact O-N 2.71Å; E910-C914 WeakPolarHBondContact O-CB 3.33Å; E910-C914 PolarHBondContact O-N 3.41Å; E910-C914 PolarHBondContact O-SG 3.23Å
911K96.4Very high94.6Very high150 Ų15040.6 Ų40.665%0.65221%0.21SC*.Hα-helixtrans-62.5-42.7-178.7-62.3176.2-176.91720111.9L796 V909 A915L796-K911 HydrophobicContact CD1-CB 4.46Å; L796-K911 HydrophobicContact CD2-CB 3.97Å; V909-K911 PolarHBondContact O-N 2.88Å; K911-A915 WeakPolarHBondContact O-CB 3.38Å; K911-A915 PolarHBondContact O-N 3.4Å
912Q97.1Very high94.7Very high10 Ų1042.1 Ų42.15%0.04722%0.218CC..Hα-helixtrans-65.4-46.5178.2-62.489.4-37.200111I784 P786 S788 L796 F799 V909 E910 A915 F916I784-Q912 HydrophobicContact CD1-CB 4.12Å; I784-Q912 HydrophobicContact CG2-CB 3.61Å; I784-Q912 HydrophobicContact CG2-CG 3.8Å; P786-Q912 PolarHBondContact O-NE2 2.9Å; S788-Q912 PolarHBondContact OG-NE2 2.89Å; L796-Q912 HydrophobicContact CD2-CG 4.27Å; F799-Q912 HydrophobicContact CD1-CB 4.29Å; F799-Q912 HydrophobicContact CD2-CB 3.69Å; F799-Q912 HydrophobicContact CD2-CG 3.72Å; F799-Q912 HydrophobicContact CE1-CB 4.26Å; F799-Q912 HydrophobicContact CE2-CB 3.66Å; F799-Q912 HydrophobicContact CE2-CG 3.36Å; F799-Q912 HydrophobicContact CG-CB 4.04Å; F799-Q912 HydrophobicContact CZ-CB 3.95Å; F799-Q912 HydrophobicContact CZ-CG 3.91Å; V909-Q912 VanDerWaalsContact C-OE1 3.31Å; V909-Q912 WeakPolarHBondContact O-CB 3.4Å; V909-Q912 PolarHBondContact O-N 2.81Å; V909-Q912 PolarHBondContact O-OE1 2.82Å; E910-Q912 VanDerWaalsContact C-N 3.35Å; E910-Q912 PolarHBondContact O-N 3.39Å; Q912-A915 PolarHBondContact O-N 3.41Å; Q912-F916 WeakPolarHBondContact O-CB 3.3Å; Q912-F916 PolarHBondContact O-N 2.9Å
913M97.3Very high94.8Very high9 Ų939.2 Ų39.24%0.04420%0.203CC..Hα-helixtrans-64.9-43.6177.1178.655.467.800111.6I784 F824 M827 V909 E910 A915 F916 L917I784-M913 HydrophobicContact CD1-CB 4.32Å; I784-M913 HydrophobicContact CD1-CE 4Å; F824-M913 HydrophobicContact CD2-CE 3.56Å; F824-M913 HydrophobicContact CE2-CE 3.67Å; F824-M913 HydrophobicContact CG-CE 4.13Å; F824-M913 HydrophobicContact CZ-CE 4.32Å; M827-M913 HydrophobicContact CB-CE 3.89Å; M827-M913 HydrophobicContact CB-CG 4.15Å; M827-M913 HydrophobicContact CB-SD 4.15Å; M827-M913 HydrophobicContact CE-CE 4Å; M827-M913 HydrophobicContact SD-CE 4.3Å; M827-M913 HydrophobicContact SD-CG 4.3Å; V909-M913 WeakPolarHBondContact O-CB 3.34Å; V909-M913 PolarHBondContact O-N 3.15Å; E910-M913 PolarHBondContact O-N 2.71Å; M913-A915 PolarHBondContact O-N 3.27Å; M913-F916 PolarHBondContact O-N 3.49Å; M913-F916 HydrophobicContact SD-CD1 4.06Å; M913-L917 HydrophobicContact CG-CD1 3.97Å; M913-L917 HydrophobicContact CG-CG 4.39Å; M913-L917 WeakPolarHBondContact O-CB 3.25Å; M913-L917 VanDerWaalsContact O-CG 3.31Å; M913-L917 WeakPolarHBondContact O-CG 3.02Å; M913-L917 PolarHBondContact O-N 2.53Å; M913-L917 HydrophobicContact SD-CD1 3.88Å; M913-L917 HydrophobicContact SD-CD2 4.29Å; M913-L917 HydrophobicContact SD-CG 3.83Å
914C97.3Very high94.8Very high73 Ų7337.8 Ų37.849%0.49320%0.197SC..Hα-helixtrans-60.9-43.2175.2-72.80000112.2E910 L917 E918E910-C914 WeakPolarHBondContact O-CB 3.33Å; E910-C914 PolarHBondContact O-N 3.41Å; E910-C914 PolarHBondContact O-SG 3.23Å; C914-L917 PolarHBondContact O-N 2.93Å; C914-E918 WeakPolarHBondContact O-CB 3.17Å; C914-E918 PolarHBondContact O-N 3.32Å
915A97.5Very high95.1Very high9 Ų939.4 Ų39.47%0.07421%0.212CC..Hα-helixtrans-64.2-40.6175.500000112.2L796 F799 K800 K911 Q912 M913 E918 G919L796-A915 HydrophobicContact CB-CB 4.2Å; L796-A915 HydrophobicContact CD2-CB 4.38Å; L796-A915 WeakPolarHBondContact O-CB 3.45Å; F799-A915 HydrophobicContact CB-CB 4Å; K800-A915 VanDerWaalsContact CA-O 3.24Å; K800-A915 WeakPolarHBondContact CA-O 3.38Å; K800-A915 WeakPolarHBondContact CB-O 3.18Å; K911-A915 WeakPolarHBondContact O-CB 3.38Å; K911-A915 PolarHBondContact O-N 3.4Å; Q912-A915 PolarHBondContact O-N 3.41Å; M913-A915 PolarHBondContact O-N 3.27Å; A915-E918 PolarHBondContact O-N 2.74Å; A915-G919 PolarHBondContact O-N 2.82Å
916F97.7Very high95.3Very high1 Ų141.2 Ų41.20%0.00422%0.221CC..Hα-helixtrans-61.5-45.5173.4171.7-94.1000112.2F799 I802 G803 V806 F824 M828 Q912 M913 G919 F920F799-F916 HydrophobicContact CB-CB 4.39Å; F799-F916 WeakPolarHBondContact O-CA 3.18Å; I802-F916 HydrophobicContact CG2-CD2 4.07Å; I802-F916 HydrophobicContact CG2-CE2 4.03Å; G803-F916 VanDerWaalsContact CA-CD2 3.5Å; G803-F916 WeakPolarHBondContact CA-O 3.14Å; V806-F916 HydrophobicContact CB-CE2 4.2Å; V806-F916 HydrophobicContact CB-CZ 4.29Å; V806-F916 HydrophobicContact CG1-CZ 4.2Å; V806-F916 HydrophobicContact CG2-CE2 4.09Å; V806-F916 HydrophobicContact CG2-CZ 4.46Å; F824-F916 HydrophobicContact CE1-CE1 4.06Å; F824-F916 HydrophobicContact CE1-CZ 4.04Å; F824-F916 HydrophobicContact CZ-CD1 4.17Å; F824-F916 AromaticContact CZ-CE1 3.74Å; F824-F916 HydrophobicContact CZ-CE1 3.74Å; F824-F916 HydrophobicContact CZ-CE2 4.14Å; F824-F916 AromaticContact CZ-CZ 3.72Å; F824-F916 HydrophobicContact CZ-CZ 3.72Å; M828-F916 HydrophobicContact CE-CE1 3.86Å; M828-F916 HydrophobicContact CE-CZ 4.21Å; M828-F916 HydrophobicContact CG-CE1 4.03Å; M828-F916 HydrophobicContact SD-CE1 3.82Å; M828-F916 HydrophobicContact SD-CZ 4.27Å; Q912-F916 WeakPolarHBondContact O-CB 3.3Å; Q912-F916 PolarHBondContact O-N 2.9Å; M913-F916 PolarHBondContact O-N 3.49Å; M913-F916 HydrophobicContact SD-CD1 4.06Å; F916-G919 PolarHBondContact O-N 3.27Å; F916-G919 VanDerWaalsContact O-N 3.16Å; F916-F920 WeakPolarHBondContact O-CB 3.37Å; F916-F920 PolarHBondContact O-N 2.71Å
917L97.5Very high95.2Very high27 Ų2746.2 Ų46.214%0.14124%0.242CC..Hα-helixtrans-69.3-34.4178.3-67.1174.5000113M828 M913 C914 G919 F920 S921 L926M828-L917 HydrophobicContact CB-CD2 4.25Å; M828-L917 HydrophobicContact CG-CD2 4.06Å; M913-L917 HydrophobicContact CG-CD1 3.97Å; M913-L917 HydrophobicContact CG-CG 4.39Å; M913-L917 WeakPolarHBondContact O-CB 3.25Å; M913-L917 VanDerWaalsContact O-CG 3.31Å; M913-L917 WeakPolarHBondContact O-CG 3.02Å; M913-L917 PolarHBondContact O-N 2.53Å; M913-L917 HydrophobicContact SD-CD1 3.88Å; M913-L917 HydrophobicContact SD-CD2 4.29Å; M913-L917 HydrophobicContact SD-CG 3.83Å; C914-L917 PolarHBondContact O-N 2.93Å; L917-G919 VanDerWaalsContact C-N 3.29Å; L917-G919 PolarHBondContact O-N 3.14Å; L917-F920 PolarHBondContact O-N 2.91Å; L917-S921 VanDerWaalsContact O-CB 3.27Å; L917-S921 WeakPolarHBondContact O-CB 3.31Å; L917-S921 PolarHBondContact O-N 3.41Å; L917-S921 PolarHBondContact O-OG 2.85Å; L917-L926 HydrophobicContact CB-CD1 4.4Å; L917-L926 HydrophobicContact CD2-CD1 4.48Å; L917-L926 HydrophobicContact CD2-CD2 3.96Å
918E96.5Very high95.2Very high103 Ų10344.3 Ų44.348%0.48123%0.23SC..Hα-helixtrans-59-40.9168.5-166.4-162.9160.800111.2K800 C914 A915 S921 D922K800-E918 HydrophobicContact CD-CG 4.23Å; K800-E918 WeakPolarHBondContact CE-OE1 3.47Å; K800-E918 VanDerWaalsContact NZ-CD 3.32Å; K800-E918 IonicContact NZ-OE1 2.75Å; K800-E918 PolarHBondContact NZ-OE1 3.5Å; C914-E918 WeakPolarHBondContact O-CB 3.17Å; C914-E918 PolarHBondContact O-N 3.32Å; A915-E918 PolarHBondContact O-N 2.74Å; E918-S921 PolarHBondContact O-OG 3.08Å; E918-D922 PolarHBondContact O-N 2.82Å
919G96.6Very high95.2Very high0 Ų041.7 Ų41.70%022%0.22CC..Hα-helixtrans-71.8-35.1176.300000114.2K800 G803 R804 A915 F916 L917 D922K800-G919 WeakPolarHBondContact O-CA 3.25Å; G803-G919 CarbonylContact C-O 3.46Å; R804-G919 WeakPolarHBondContact CA-O 3.24Å; R804-G919 WeakPolarHBondContact CG-O 2.97Å; R804-G919 PolarHBondContact N-O 2.54Å; A915-G919 PolarHBondContact O-N 2.82Å; F916-G919 PolarHBondContact O-N 3.27Å; F916-G919 VanDerWaalsContact O-N 3.16Å; L917-G919 VanDerWaalsContact C-N 3.29Å; L917-G919 PolarHBondContact O-N 3.14Å; G919-D922 WeakPolarHBondContact O-CB 3.36Å
920F96.7Very high95Very high0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-75-41.7179.5-176.3-88000111.7G803 V806 V810 M828 F916 L917 D922 L923 I924 L926 L929G803-F920 VanDerWaalsContact O-CA 3.32Å; G803-F920 WeakPolarHBondContact O-CA 3.15Å; V806-F920 HydrophobicContact CB-CD2 4.34Å; V806-F920 HydrophobicContact CG1-CD2 4Å; V806-F920 HydrophobicContact CG1-CE2 3.96Å; V810-F920 HydrophobicContact CG2-CE2 4.21Å; V810-F920 HydrophobicContact CG2-CZ 4.49Å; M828-F920 HydrophobicContact CE-CD2 4.25Å; M828-F920 HydrophobicContact CE-CE2 4.08Å; M828-F920 HydrophobicContact CE-CZ 4.22Å; F916-F920 WeakPolarHBondContact O-CB 3.37Å; F916-F920 PolarHBondContact O-N 2.71Å; L917-F920 PolarHBondContact O-N 2.91Å; F920-D922 VanDerWaalsContact C-N 3.25Å; F920-D922 PolarHBondContact O-N 2.82Å; F920-L923 PolarHBondContact O-N 2.84Å; F920-L923 VanDerWaalsContact O-N 3.1Å; F920-I924 HydrophobicContact CD1-CB 4.09Å; F920-I924 HydrophobicContact CE1-CB 3.47Å; F920-I924 VanDerWaalsContact CE1-CB 3.47Å; F920-I924 HydrophobicContact CE1-CG1 4.31Å; F920-I924 HydrophobicContact CE1-CG2 3.53Å; F920-I924 HydrophobicContact CZ-CB 3.76Å; F920-I924 HydrophobicContact CZ-CG1 4.12Å; F920-I924 HydrophobicContact CZ-CG2 3.78Å; F920-I924 PolarHBondContact O-N 2.92Å; F920-L926 HydrophobicContact CD1-CD2 3.8Å; F920-L926 HydrophobicContact CE1-CD2 4.26Å; F920-L929 HydrophobicContact CE1-CD1 3.62Å; F920-L929 HydrophobicContact CE1-CD2 4.3Å; F920-L929 HydrophobicContact CE1-CG 4.15Å; F920-L929 HydrophobicContact CZ-CD1 3.95Å; F920-L929 HydrophobicContact CZ-CD2 4.19Å; F920-L929 HydrophobicContact CZ-CG 4.49Å
921S95.4Very high94.6Very high56 Ų5642.1 Ų42.139%0.39222%0.223SC..Hα-helixtrans-69.4-16.8179.456.70000114.7L917 E918 L923 I924L917-S921 VanDerWaalsContact O-CB 3.27Å; L917-S921 WeakPolarHBondContact O-CB 3.31Å; L917-S921 PolarHBondContact O-N 3.41Å; L917-S921 PolarHBondContact O-OG 2.85Å; E918-S921 PolarHBondContact O-OG 3.08Å; S921-L923 PolarHBondContact O-N 3.41Å; S921-L923 VanDerWaalsContact O-N 3.16Å; S921-I924 WeakPolarHBondContact CA-O 3.38Å
922D94.1Very high93.9Very high42 Ų4235.1 Ų35.123%0.22519%0.192CC..THydrogen-bonded Turntrans-55.1-24.7166.3-95.3-27.2000112.2P730 K800 R804 E918 G919 F920P730-D922 HydrophobicContact CB-CB 3.59Å; P730-D922 WeakPolarHBondContact CB-O 3.42Å; P730-D922 HydrophobicContact CG-CB 4.11Å; P730-D922 WeakPolarHBondContact CG-OD1 3.34Å; K800-D922 WeakPolarHBondContact CE-OD2 2.98Å; K800-D922 IonicContact NZ-OD2 3.74Å; R804-D922 HydrophobicContact CG-CB 4.46Å; R804-D922 IonicContact CZ-OD2 3.74Å; R804-D922 IonicContact NE-OD2 2.9Å; R804-D922 PolarHBondContact NE-OD2 2.86Å; R804-D922 IonicContact NH2-OD2 3.71Å; R804-D922 PolarHBondContact NH2-OD2 2.95Å; E918-D922 PolarHBondContact O-N 2.82Å; G919-D922 WeakPolarHBondContact O-CB 3.36Å; F920-D922 VanDerWaalsContact C-N 3.25Å; F920-D922 PolarHBondContact O-N 2.82Å
923L93.9Very high93Very high6 Ų638 Ų383%0.03121%0.208CC..THydrogen-bonded Turntrans-120.8-41.8177-68.996.6000115L733 M734 M808 F920 S921L733-L923 HydrophobicContact CB-CD1 4.39Å; L733-L923 HydrophobicContact CB-CD2 3.88Å; L733-L923 HydrophobicContact CB-CG 4.43Å; L733-L923 HydrophobicContact CD1-CD1 4.04Å; M734-L923 HydrophobicContact CE-CB 4.38Å; M734-L923 WeakPolarHBondContact CE-O 3.44Å; M734-L923 HydrophobicContact CG-CD2 4.36Å; M808-L923 HydrophobicContact CB-CD2 4.32Å; M808-L923 HydrophobicContact CG-CD1 4.21Å; M808-L923 HydrophobicContact CG-CD2 3.59Å; F920-L923 PolarHBondContact O-N 2.84Å; F920-L923 VanDerWaalsContact O-N 3.1Å; S921-L923 PolarHBondContact O-N 3.41Å; S921-L923 VanDerWaalsContact O-N 3.16Å
924I94.9Very high92Very high0 Ų037.8 Ų37.80%021%0.208CC..SBendtrans-121.6108.2-171.9-56.4-64.9000109.7F693 L697 V810 Y811 F920 S921 L926 L929F693-I924 HydrophobicContact CE2-CG2 3.88Å; F693-I924 HydrophobicContact CZ-CD1 4.22Å; F693-I924 HydrophobicContact CZ-CG2 3.82Å; L697-I924 HydrophobicContact CD1-CD1 3.89Å; L697-I924 HydrophobicContact CD2-CD1 3.62Å; L697-I924 HydrophobicContact CG-CD1 4.42Å; V810-I924 HydrophobicContact CB-CG1 4.39Å; V810-I924 HydrophobicContact CG1-CD1 4.22Å; V810-I924 HydrophobicContact CG1-CG1 4.22Å; Y811-I924 HydrophobicContact CD2-CD1 4.01Å; Y811-I924 HydrophobicContact CG-CD1 4.5Å; F920-I924 HydrophobicContact CD1-CB 4.09Å; F920-I924 HydrophobicContact CE1-CB 3.47Å; F920-I924 VanDerWaalsContact CE1-CB 3.47Å; F920-I924 HydrophobicContact CE1-CG1 4.31Å; F920-I924 HydrophobicContact CE1-CG2 3.53Å; F920-I924 HydrophobicContact CZ-CB 3.76Å; F920-I924 HydrophobicContact CZ-CG1 4.12Å; F920-I924 HydrophobicContact CZ-CG2 3.78Å; F920-I924 PolarHBondContact O-N 2.92Å; S921-I924 WeakPolarHBondContact CA-O 3.38Å; I924-L926 PolarHBondContact O-N 3.29Å; I924-L929 HydrophobicContact CG2-CD2 3.99Å; I924-L929 HydrophobicContact CG2-CG 4.41Å
925P93.4Very high90.5Very high64 Ų6437.5 Ų37.542%0.41620%0.201SC..  trans-56.7134.3175.9-25.334.7000112E927 A928P925-E927 WeakPolarHBondContact CB-OE2 3.42Å; P925-E927 PolarHBondContact O-N 3.38Å; P925-A928 VanDerWaalsContact O-CB 3.3Å; P925-A928 WeakPolarHBondContact O-CB 3.31Å; P925-A928 PolarHBondContact O-N 2.99Å
926L92.9Very high89.6Confident43 Ų4337.4 Ų37.423%0.22520%0.199CC..THydrogen-bonded Turntrans-66.9-24.6-174.6-58.8-179.6000112.1L917 F920 I924 A928 L929L917-L926 HydrophobicContact CB-CD1 4.4Å; L917-L926 HydrophobicContact CD2-CD1 4.48Å; L917-L926 HydrophobicContact CD2-CD2 3.96Å; F920-L926 HydrophobicContact CD1-CD2 3.8Å; F920-L926 HydrophobicContact CE1-CD2 4.26Å; I924-L926 PolarHBondContact O-N 3.29Å; L926-A928 VanDerWaalsContact C-N 3.3Å; L926-A928 PolarHBondContact O-N 2.79Å; L926-L929 PolarHBondContact O-N 3.41Å
927E92.1Very high89Confident143 Ų14337.4 Ų37.467%0.66820%0.199SC*.THydrogen-bonded Turntrans-64.7-34.5173.2-56.871.3-155.700111.4P925 L929 Q930P925-E927 WeakPolarHBondContact CB-OE2 3.42Å; P925-E927 PolarHBondContact O-N 3.38Å; E927-L929 VanDerWaalsContact C-N 3.25Å; E927-L929 PolarHBondContact O-N 2.92Å; E927-Q930 WeakPolarHBondContact O-CB 3.34Å; E927-Q930 PolarHBondContact O-N 3.45Å
928A91.9Very high88.2Confident18 Ų1838.6 Ų38.615%0.14920%0.204CC..G310 helixtrans-68-27179.100000112.1F693 P925 L926 Q930F693-A928 HydrophobicContact CD2-CB 3.95Å; F693-A928 HydrophobicContact CE2-CB 3.87Å; P925-A928 VanDerWaalsContact O-CB 3.3Å; P925-A928 WeakPolarHBondContact O-CB 3.31Å; P925-A928 PolarHBondContact O-N 2.99Å; L926-A928 VanDerWaalsContact C-N 3.3Å; L926-A928 PolarHBondContact O-N 2.79Å; A928-Q930 VanDerWaalsContact C-N 3.32Å
929L90.9Very high87.1Confident0 Ų034.9 Ų34.90%019%0.187CC..G310 helixtrans-73.8-19.2175.3-60.6-172000113.7F693 M828 L829 F920 I924 L926 E927 I931 F932 L937 L940F693-L929 HydrophobicContact CE2-CD2 3.94Å; F693-L929 HydrophobicContact CZ-CD2 4.25Å; M828-L929 HydrophobicContact CE-CD1 4.32Å; L829-L929 HydrophobicContact CD2-CB 3.79Å; L829-L929 WeakPolarHBondContact CD2-O 3.26Å; F920-L929 HydrophobicContact CE1-CD1 3.62Å; F920-L929 HydrophobicContact CE1-CD2 4.3Å; F920-L929 HydrophobicContact CE1-CG 4.15Å; F920-L929 HydrophobicContact CZ-CD1 3.95Å; F920-L929 HydrophobicContact CZ-CD2 4.19Å; F920-L929 HydrophobicContact CZ-CG 4.49Å; I924-L929 HydrophobicContact CG2-CD2 3.99Å; I924-L929 HydrophobicContact CG2-CG 4.41Å; L926-L929 PolarHBondContact O-N 3.41Å; E927-L929 VanDerWaalsContact C-N 3.25Å; E927-L929 PolarHBondContact O-N 2.92Å; L929-I931 PolarHBondContact O-N 3.05Å; L929-F932 WeakPolarHBondContact O-CB 3.4Å; L929-F932 PolarHBondContact O-N 2.83Å; L929-L937 HydrophobicContact CD1-CD1 4.03Å; L929-L937 HydrophobicContact CD1-CD2 4.22Å; L929-L937 HydrophobicContact CD2-CD1 4.03Å; L929-L940 HydrophobicContact CD2-CD2 4.25Å
930Q89.6Confident86.5Confident89 Ų8935.3 Ų35.342%0.41619%0.19SC..G310 helixtrans-63.2-20-168.4-69.7-60.9-26.700114.7L829 K831 E927 A928 F932L829-Q930 PolarHBondContact O-NE2 2.83Å; L829-Q930 PolarHBondContact O-OE1 3.07Å; K831-Q930 PolarHBondContact NZ-O 3.37Å; E927-Q930 WeakPolarHBondContact O-CB 3.34Å; E927-Q930 PolarHBondContact O-N 3.45Å; A928-Q930 VanDerWaalsContact C-N 3.32Å; Q930-F932 PolarHBondContact O-N 2.79Å
931I87Confident86.1Confident42 Ų4235.3 Ų35.322%0.21519%0.19CC..G310 helixtrans-67.5-20.1174.772.5175.2000113K689 Y692 F693 L929K689-I931 HydrophobicContact CB-CD1 3.87Å; K689-I931 HydrophobicContact CB-CG1 4.34Å; K689-I931 WeakPolarHBondContact CD-O 3.3Å; K689-I931 WeakPolarHBondContact CE-O 3.47Å; K689-I931 HydrophobicContact CG-CD1 4.46Å; K689-I931 PolarHBondContact NZ-O 2.81Å; K689-I931 VanDerWaalsContact NZ-O 3.12Å; K689-I931 WeakPolarHBondContact O-CD1 3.22Å; Y692-I931 HydrophobicContact CD1-CD1 3.95Å; Y692-I931 HydrophobicContact CD1-CG2 3.97Å; Y692-I931 HydrophobicContact CE1-CG2 4.06Å; F693-I931 HydrophobicContact CB-CD1 3.89Å; L929-I931 PolarHBondContact O-N 3.05Å
932F82.2Confident85.5Confident2 Ų232.7 Ų32.71%0.00917%0.171CC..SBendtrans-95.7146.1-179.7-57.2-65.1000111.6Y686 K689 F693 K831 L929 Q930 E936 L940Y686-F932 HydrophobicContact CD2-CD1 4.07Å; Y686-F932 AromaticContact CD2-CE1 3.94Å; Y686-F932 HydrophobicContact CD2-CE1 3.94Å; Y686-F932 AromaticContact CE2-CD1 3.71Å; Y686-F932 HydrophobicContact CE2-CD1 3.71Å; Y686-F932 AromaticContact CE2-CE1 3.44Å; Y686-F932 HydrophobicContact CE2-CE1 3.44Å; Y686-F932 VanDerWaalsContact CE2-CE1 3.44Å; Y686-F932 HydrophobicContact CE2-CZ 4.45Å; K689-F932 HydrophobicContact CB-CD1 4.14Å; K689-F932 HydrophobicContact CB-CE1 3.63Å; K689-F932 HydrophobicContact CB-CZ 4.4Å; K689-F932 HydrophobicContact CD-CD1 4.2Å; F693-F932 HydrophobicContact CB-CE2 3.93Å; F693-F932 HydrophobicContact CB-CZ 3.76Å; F693-F932 HydrophobicContact CD1-CE2 4.27Å; F693-F932 HydrophobicContact CD1-CZ 4.34Å; F693-F932 AromaticContact CD2-CE2 3.88Å; F693-F932 HydrophobicContact CD2-CE2 3.88Å; F693-F932 HydrophobicContact CE2-CE2 4.44Å; F693-F932 AromaticContact CG-CE2 3.79Å; F693-F932 HydrophobicContact CG-CE2 3.79Å; F693-F932 AromaticContact CG-CZ 4Å; F693-F932 HydrophobicContact CG-CZ 4Å; K831-F932 PolarHBondContact NZ-O 2.89Å; L929-F932 WeakPolarHBondContact O-CB 3.4Å; L929-F932 PolarHBondContact O-N 2.83Å; Q930-F932 PolarHBondContact O-N 2.79Å; F932-E936 VanDerWaalsContact CA-OE2 3.29Å; F932-E936 WeakPolarHBondContact CA-OE2 3.39Å; F932-E936 HydrophobicContact CB-CB 3.91Å; F932-E936 HydrophobicContact CD1-CB 3.96Å; F932-E936 HydrophobicContact CG-CB 4.36Å; F932-L940 HydrophobicContact CD2-CD2 3.98Å; F932-L940 HydrophobicContact CE2-CD2 3.64Å; F932-L940 HydrophobicContact CZ-CD2 4.14Å
933D78.6Confident84.5Confident70 Ų7030.9 Ų30.937%0.37416%0.163SC..  trans-83.2176.8160.878.447.6000112.2N935 E936 L937D933-N935 PolarHBondContact O-N 2.81Å; D933-N935 WeakPolarHBondContact OD1-CA 3.3Å; D933-N935 VanDerWaalsContact OD1-CB 3.32Å; D933-N935 WeakPolarHBondContact OD1-CB 3.32Å; D933-N935 PolarHBondContact OD1-N 2.97Å; D933-E936 PolarHBondContact N-OE2 2.73Å; D933-E936 PolarHBondContact O-N 2.94Å; D933-E936 PolarHBondContact OD1-N 3.01Å; D933-E936 VanDerWaalsContact OD1-N 3.09Å; D933-L937 WeakPolarHBondContact O-CB 3.34Å; D933-L937 PolarHBondContact O-N 2.85Å
934A74.6Confident82.9Confident6 Ų631.5 Ų31.55%0.0517%0.166CC..Hα-helixtrans-63.6-28-175.600000113.7R822 K826 L829 E938R822-A934 HydrophobicContact CG-CB 4.21Å; K826-A934 HydrophobicContact CG-CB 4.02Å; L829-A934 HydrophobicContact CD1-CB 4.35Å; A934-E938 PolarHBondContact O-N 2.59Å
935N67Low81.4Confident66 Ų6635.7 Ų35.735%0.35319%0.186SC..Hα-helixtrans-83.4-40178.1-56.316000110R822 D933 L937 E938 L939R822-N935 PolarHBondContact NE-OD1 2.86Å; R822-N935 PolarHBondContact NH2-OD1 3.18Å; D933-N935 PolarHBondContact O-N 2.81Å; D933-N935 WeakPolarHBondContact OD1-CA 3.3Å; D933-N935 VanDerWaalsContact OD1-CB 3.32Å; D933-N935 WeakPolarHBondContact OD1-CB 3.32Å; D933-N935 PolarHBondContact OD1-N 2.97Å; N935-L937 VanDerWaalsContact C-N 3.27Å; N935-L937 PolarHBondContact O-N 2.78Å; N935-E938 WeakPolarHBondContact O-CB 3.47Å; N935-E938 PolarHBondContact O-N 3.02Å; N935-L939 WeakPolarHBondContact O-CB 3.27Å; N935-L939 WeakPolarHBondContact O-CD1 2.93Å; N935-L939 VanDerWaalsContact O-CG 3.3Å; N935-L939 WeakPolarHBondContact O-CG 3.38Å; N935-L939 PolarHBondContact O-N 2.92Å
936E78.8Confident80.2Confident8 Ų837.8 Ų37.84%0.03719%0.193CC..Hα-helixtrans-63.2-34.2173.6-67.8175.4142.900111.8Y686 K689 F932 D933 L940 M999Y686-E936 HydrophobicContact CD2-CB 4.03Å; Y686-E936 HydrophobicContact CD2-CG 3.98Å; Y686-E936 HydrophobicContact CE2-CB 4.1Å; K689-E936 IonicContact NZ-OE1 2.74Å; K689-E936 PolarHBondContact NZ-OE1 2.76Å; K689-E936 IonicContact NZ-OE2 3.61Å; K689-E936 PolarHBondContact NZ-OE2 2.68Å; F932-E936 VanDerWaalsContact CA-OE2 3.29Å; F932-E936 WeakPolarHBondContact CA-OE2 3.39Å; F932-E936 HydrophobicContact CB-CB 3.91Å; F932-E936 HydrophobicContact CD1-CB 3.96Å; F932-E936 HydrophobicContact CG-CB 4.36Å; D933-E936 PolarHBondContact N-OE2 2.73Å; D933-E936 PolarHBondContact O-N 2.94Å; D933-E936 PolarHBondContact OD1-N 3.01Å; D933-E936 VanDerWaalsContact OD1-N 3.09Å; E936-L940 WeakPolarHBondContact O-CB 3.25Å; E936-L940 PolarHBondContact O-N 3.32Å; E936-M999 HydrophobicContact CB-CE 4.37Å; E936-M999 HydrophobicContact CG-CE 4.32Å
937L85Confident79.4Confident0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-71-41.9174178.558.4000112.9Y825 M828 L829 L929 D933 N935 L939 L940 M941Y825-L937 HydrophobicContact CD1-CG 4.39Å; M828-L937 HydrophobicContact CB-CD2 3.84Å; M828-L937 HydrophobicContact CE-CD2 4.21Å; M828-L937 HydrophobicContact SD-CD2 4.13Å; L829-L937 HydrophobicContact CD1-CB 4.34Å; L829-L937 HydrophobicContact CD1-CD2 4.06Å; L829-L937 HydrophobicContact CD2-CD2 3.99Å; L829-L937 HydrophobicContact CG-CD2 3.69Å; L929-L937 HydrophobicContact CD1-CD1 4.03Å; L929-L937 HydrophobicContact CD1-CD2 4.22Å; L929-L937 HydrophobicContact CD2-CD1 4.03Å; D933-L937 WeakPolarHBondContact O-CB 3.34Å; D933-L937 PolarHBondContact O-N 2.85Å; N935-L937 VanDerWaalsContact C-N 3.27Å; N935-L937 PolarHBondContact O-N 2.78Å; L937-L939 VanDerWaalsContact C-N 3.3Å; L937-L939 PolarHBondContact O-N 2.85Å; L937-L940 HydrophobicContact CD1-CD2 4.12Å; L937-L940 WeakPolarHBondContact O-CB 3.18Å; L937-L940 PolarHBondContact O-N 3.33Å; L937-M941 HydrophobicContact CD1-CG 4.25Å; L937-M941 HydrophobicContact CD1-SD 3.94Å; L937-M941 HydrophobicContact CG-SD 4.06Å; L937-M941 WeakPolarHBondContact O-CG 3.2Å; L937-M941 PolarHBondContact O-N 2.91Å; L937-M941 VanDerWaalsContact O-N 3.08Å
938E81Confident78.9Confident53 Ų5330 Ų3025%0.24816%0.158CC..Hα-helixtrans-54.4-48.5171.1170.6156.4-119.800111.2Y825 A934 N935 L940 M941 C942Y825-E938 HydrophobicContact CD1-CB 4.35Å; Y825-E938 HydrophobicContact CD2-CB 4Å; Y825-E938 HydrophobicContact CE1-CB 3.96Å; Y825-E938 HydrophobicContact CE1-CG 4.44Å; Y825-E938 HydrophobicContact CE2-CB 3.59Å; Y825-E938 VanDerWaalsContact CE2-CD 3.41Å; Y825-E938 HydrophobicContact CE2-CG 3.83Å; Y825-E938 WeakPolarHBondContact CE2-OE1 3.44Å; Y825-E938 HydrophobicContact CG-CB 4.36Å; Y825-E938 VanDerWaalsContact CZ-OE1 3.32Å; Y825-E938 WeakPolarHBondContact OH-CG 3.47Å; Y825-E938 PolarHBondContact OH-OE1 3.32Å; A934-E938 PolarHBondContact O-N 2.59Å; N935-E938 WeakPolarHBondContact O-CB 3.47Å; N935-E938 PolarHBondContact O-N 3.02Å; E938-L940 VanDerWaalsContact C-N 3.32Å; E938-L940 PolarHBondContact O-N 2.9Å; E938-M941 PolarHBondContact O-N 2.89Å; E938-C942 WeakPolarHBondContact O-CB 3.25Å; E938-C942 PolarHBondContact O-N 3.22Å
939L72.2Confident78.8Confident24 Ų2429.2 Ų29.213%0.12615%0.151CC..Hα-helixtrans-72.4-23.4-178.7-70.4162000113.3Y682 N935 L937 G943 L944 M999Y682-L939 HydrophobicContact CD1-CD1 4.01Å; Y682-L939 HydrophobicContact CE1-CD1 3.43Å; Y682-L939 VanDerWaalsContact CE1-CD1 3.43Å; N935-L939 WeakPolarHBondContact O-CB 3.27Å; N935-L939 WeakPolarHBondContact O-CD1 2.93Å; N935-L939 VanDerWaalsContact O-CG 3.3Å; N935-L939 WeakPolarHBondContact O-CG 3.38Å; N935-L939 PolarHBondContact O-N 2.92Å; L937-L939 VanDerWaalsContact C-N 3.3Å; L937-L939 PolarHBondContact O-N 2.85Å; L939-G943 WeakPolarHBondContact O-CA 3.05Å; L939-G943 PolarHBondContact O-N 2.96Å; L939-L944 HydrophobicContact CD2-CD2 3.78Å; L939-M999 HydrophobicContact CB-CB 4.31Å; L939-M999 HydrophobicContact CB-CE 3.37Å; L939-M999 HydrophobicContact CB-CG 4.04Å; L939-M999 HydrophobicContact CD1-CE 3.65Å; L939-M999 HydrophobicContact CD1-CG 4.08Å; L939-M999 HydrophobicContact CD1-SD 4.3Å; L939-M999 HydrophobicContact CD2-CG 4.36Å; L939-M999 HydrophobicContact CG-CE 4.11Å; L939-M999 HydrophobicContact CG-CG 4.39Å
940L85.1Confident78.6Confident10 Ų1032.4 Ų32.45%0.05217%0.17CC..Hα-helixtrans-70.9-36169.4177.566.8000112.5Y690 F693 V810 L929 F932 E936 L937 E938Y690-L940 HydrophobicContact CD2-CD1 3.72Å; Y690-L940 HydrophobicContact CE2-CD1 3.72Å; F693-L940 HydrophobicContact CE1-CD1 4.37Å; F693-L940 HydrophobicContact CE1-CD2 4.21Å; F693-L940 HydrophobicContact CZ-CD2 4.36Å; V810-L940 HydrophobicContact CG1-CD1 4.48Å; V810-L940 HydrophobicContact CG1-CD2 4.07Å; V810-L940 HydrophobicContact CG1-CG 4.19Å; V810-L940 HydrophobicContact CG2-CG 4.5Å; L929-L940 HydrophobicContact CD2-CD2 4.25Å; F932-L940 HydrophobicContact CD2-CD2 3.98Å; F932-L940 HydrophobicContact CE2-CD2 3.64Å; F932-L940 HydrophobicContact CZ-CD2 4.14Å; E936-L940 WeakPolarHBondContact O-CB 3.25Å; E936-L940 PolarHBondContact O-N 3.32Å; L937-L940 HydrophobicContact CD1-CD2 4.12Å; L937-L940 WeakPolarHBondContact O-CB 3.18Å; L937-L940 PolarHBondContact O-N 3.33Å; E938-L940 VanDerWaalsContact C-N 3.32Å; E938-L940 PolarHBondContact O-N 2.9Å
941M88.4Confident78.6Confident0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-88.2-41.6-176.8-73.5170.142.500113.3V806 V810 L815 V816 F820 F824 Y825 M828 L937 E938V806-M941 HydrophobicContact CG1-CE 3.71Å; V806-M941 HydrophobicContact CG1-CG 4.27Å; V806-M941 HydrophobicContact CG1-SD 4.2Å; V810-M941 HydrophobicContact CG2-CG 3.82Å; L815-M941 WeakPolarHBondContact CA-O 3.37Å; V816-M941 PolarHBondContact N-O 2.91Å; F820-M941 HydrophobicContact CD2-CE 4.3Å; F820-M941 HydrophobicContact CE2-CE 4.23Å; F824-M941 HydrophobicContact CE1-CE 4.46Å; Y825-M941 HydrophobicContact CD1-CE 4.4Å; Y825-M941 HydrophobicContact CD1-SD 4.27Å; Y825-M941 HydrophobicContact CE1-CE 3.96Å; Y825-M941 HydrophobicContact CE1-SD 4.27Å; M828-M941 HydrophobicContact CE-SD 3.68Å; M828-M941 HydrophobicContact SD-CE 4.26Å; M828-M941 HydrophobicContact SD-SD 3.84Å; L937-M941 HydrophobicContact CD1-CG 4.25Å; L937-M941 HydrophobicContact CD1-SD 3.94Å; L937-M941 HydrophobicContact CG-SD 4.06Å; L937-M941 WeakPolarHBondContact O-CG 3.2Å; L937-M941 PolarHBondContact O-N 2.91Å; L937-M941 VanDerWaalsContact O-N 3.08Å; E938-M941 PolarHBondContact O-N 2.89Å
942C81.2Confident78.8Confident1 Ų127.7 Ų27.71%0.00715%0.148CC..THydrogen-bonded Turntrans-119.2-18.6-164-50.10000112.9V816 G818 E938 R996V816-C942 WeakPolarHBondContact O-CA 3.02Å; G818-C942 PolarHBondContact O-SG 3.07Å; E938-C942 WeakPolarHBondContact O-CB 3.25Å; E938-C942 PolarHBondContact O-N 3.22Å; C942-R996 WeakPolarHBondContact O-CB 3.45Å; C942-R996 VanDerWaalsContact O-CD 3.28Å; C942-R996 WeakPolarHBondContact O-CD 3.3Å; C942-R996 WeakPolarHBondContact O-CG 3.29Å
943G73.5Confident79.3Confident4 Ų430 Ų304%0.04116%0.159CC..  trans70.2-167.7-178.700000114L939L939-G943 WeakPolarHBondContact O-CA 3.05Å; L939-G943 PolarHBondContact O-N 2.96Å
944L61.6Low80Confident18 Ų1830.3 Ų30.39%0.09417%0.171CC..BIsolated β-bridgetrans-73.8133.2-175.9-59.3176.3000111.8Y682 L939 R996 V997 P998 M999Y682-L944 HydrophobicContact CD2-CD2 4.49Å; Y682-L944 HydrophobicContact CE2-CD2 3.39Å; Y682-L944 VanDerWaalsContact CZ-CD2 3.43Å; Y682-L944 WeakPolarHBondContact OH-CD2 3.35Å; L939-L944 HydrophobicContact CD2-CD2 3.78Å; L944-R996 WeakPolarHBondContact O-CD 3.22Å; L944-V997 HydrophobicContact CB-CB 4.11Å; L944-V997 WeakPolarHBondContact CB-O 3.44Å; L944-V997 HydrophobicContact CD1-CB 3.96Å; L944-V997 HydrophobicContact CD1-CG1 4.03Å; L944-V997 HydrophobicContact CG-CB 4.37Å; L944-V997 WeakPolarHBondContact CG-O 3.35Å; L944-V997 PolarHBondContact N-O 3.39Å; L944-P998 VanDerWaalsContact CD1-O 3.24Å; L944-P998 WeakPolarHBondContact CD1-O 3.3Å; L944-M999 HydrophobicContact CD2-CG 4.44Å
945Q62.2Low80.8Confident89 Ų8931.1 Ų31.142%0.41617%0.174SC..SBendtrans-79.5-49172.1-174.8170.317.100112F819 N981F819-Q945 HydrophobicContact CE1-CB 3.85Å; F819-Q945 HydrophobicContact CE1-CG 3.93Å; F819-Q945 HydrophobicContact CZ-CB 4Å; F819-Q945 HydrophobicContact CZ-CG 3.67Å; Q945-N981 PolarHBondContact O-ND2 3.27Å
946D67.6Low82.2Confident108 Ų10828.5 Ų28.558%0.57816%0.161SC*.SBendtrans-95.7118.2-175.6-73.8-36.5000112.3S948 N981D946-S948 PolarHBondContact O-N 3.44Å; D946-N981 PolarHBondContact OD1-ND2 3.29Å
947I76.9Confident82.9Confident5 Ų532.1 Ų32.13%0.02618%0.18CC..  trans-87.8102.4-174.8-59.7177000109.4V949 W952 N981 R984 L988 V997 F1002I947-V949 PolarHBondContact O-N 3.12Å; I947-W952 HydrophobicContact CG2-CE3 3.54Å; I947-W952 HydrophobicContact CG2-CZ3 3.76Å; I947-N981 PolarHBondContact N-OD1 3.31Å; I947-N981 VanDerWaalsContact N-OD1 3.1Å; I947-R984 HydrophobicContact CB-CB 4.23Å; I947-R984 HydrophobicContact CD1-CB 4.07Å; I947-R984 HydrophobicContact CG2-CB 4.37Å; I947-R984 PolarHBondContact O-NH1 2.93Å; I947-L988 HydrophobicContact CD1-CB 4.28Å; I947-L988 HydrophobicContact CD1-CD2 3.87Å; I947-V997 HydrophobicContact CG1-CG2 4.06Å; I947-V997 HydrophobicContact CG2-CG2 4.39Å; I947-F1002 HydrophobicContact CG2-CE2 3.8Å; I947-F1002 HydrophobicContact CG2-CZ 3.78Å
948S82.5Confident83.4Confident18 Ų1834.6 Ų34.613%0.12619%0.19CC..  trans-69.2111.9171.6-177.20000110.1G676 G677 D946 T950 D951 W952G676-S948 WeakPolarHBondContact O-CA 3.45Å; G677-S948 PolarHBondContact O-OG 3.31Å; G677-S948 VanDerWaalsContact O-OG 3.05Å; D946-S948 PolarHBondContact O-N 3.44Å; S948-T950 PolarHBondContact O-N 2.83Å; S948-D951 PolarHBondContact O-N 2.89Å; S948-W952 PolarHBondContact O-N 2.68Å; S948-W952 VanDerWaalsContact O-N 3.12Å
949V88.1Confident83.9Confident0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-66-27.1178.6-1760000110.9G676 I947 W952 K953 W973 I976 Y977G676-V949 PolarHBondContact O-N 2.78Å; I947-V949 PolarHBondContact O-N 3.12Å; V949-W952 PolarHBondContact O-N 3.25Å; V949-K953 WeakPolarHBondContact O-CB 3.43Å; V949-K953 PolarHBondContact O-N 3.14Å; V949-W973 HydrophobicContact CG1-CE3 3.82Å; V949-W973 HydrophobicContact CG1-CZ3 4.02Å; V949-I976 HydrophobicContact CB-CG2 4.46Å; V949-I976 HydrophobicContact CG1-CB 4.36Å; V949-I976 HydrophobicContact CG1-CG2 3.73Å; V949-I976 HydrophobicContact CG2-CG2 3.89Å; V949-Y977 HydrophobicContact CB-CD1 3.91Å; V949-Y977 HydrophobicContact CB-CE1 3.65Å; V949-Y977 HydrophobicContact CG1-CD1 3.76Å; V949-Y977 HydrophobicContact CG1-CD2 4.22Å; V949-Y977 HydrophobicContact CG1-CE1 3.56Å; V949-Y977 HydrophobicContact CG1-CE2 4.03Å; V949-Y977 HydrophobicContact CG1-CG 4.07Å; V949-Y977 HydrophobicContact CG2-CD1 4.35Å
950T88.1Confident84.7Confident67 Ų6739.1 Ų39.141%0.41123%0.226SC..Hα-helixtrans-66.2-45177.5-49.30000111.6S948 A954S948-T950 PolarHBondContact O-N 2.83Å; T950-A954 WeakPolarHBondContact O-CB 3.25Å; T950-A954 PolarHBondContact O-N 3.09Å
951D88Confident84.9Confident32 Ų3245.7 Ų45.717%0.17126%0.257CS..Hα-helixtrans-67.6-41.4173.6176.541.4000111.7S948 K953 A954 N955 G1001 F1002S948-D951 PolarHBondContact O-N 2.89Å; D951-K953 PolarHBondContact O-N 2.98Å; D951-A954 PolarHBondContact O-N 3.49Å; D951-N955 WeakPolarHBondContact O-CB 3.37Å; D951-N955 PolarHBondContact O-N 2.85Å; D951-N955 PolarHBondContact OD1-ND2 2.95Å; D951-G1001 WeakPolarHBondContact OD2-CA 3.31Å; D951-F1002 HydrophobicContact CB-CD2 4.49Å; D951-F1002 WeakPolarHBondContact OD2-CD2 3.5Å; D951-F1002 PolarHBondContact OD2-N 3.29Å
952W92.2Very high85.2Confident0 Ų046.1 Ų46.10%026%0.259CS..Hα-helixtrans-56.2-48.5174.7-162.7-9.3000111.8I947 S948 V949 N955 T956 W973 I976 R984 L987 L988 F1002 F1014I947-W952 HydrophobicContact CG2-CE3 3.54Å; I947-W952 HydrophobicContact CG2-CZ3 3.76Å; S948-W952 PolarHBondContact O-N 2.68Å; S948-W952 VanDerWaalsContact O-N 3.12Å; V949-W952 PolarHBondContact O-N 3.25Å; W952-N955 CarbonylContact O-C 3.41Å; W952-N955 PolarHBondContact O-N 3.16Å; W952-T956 WeakPolarHBondContact O-CB 3.1Å; W952-T956 PolarHBondContact O-N 3.34Å; W952-T956 VanDerWaalsContact O-N 3.14Å; W952-T956 PolarHBondContact O-OG1 2.79Å; W952-W973 HydrophobicContact CB-CH2 4.09Å; W952-W973 HydrophobicContact CB-CZ3 4.04Å; W952-W973 AromaticContact CD1-CH2 3.59Å; W952-W973 HydrophobicContact CD2-CH2 4.29Å; W952-W973 HydrophobicContact CD2-CZ3 4.21Å; W952-W973 AromaticContact CG-CH2 3.71Å; W952-W973 HydrophobicContact CG-CH2 3.71Å; W952-W973 AromaticContact CG-CZ3 3.87Å; W952-W973 HydrophobicContact CG-CZ3 3.87Å; W952-I976 HydrophobicContact CE3-CG2 4.01Å; W952-I976 HydrophobicContact CZ3-CG2 3.99Å; W952-R984 HydrophobicContact CZ3-CB 4.16Å; W952-L987 HydrophobicContact CH2-CB 4.09Å; W952-L987 HydrophobicContact CH2-CD2 3.75Å; W952-L987 HydrophobicContact CH2-CG 3.76Å; W952-L987 HydrophobicContact CZ2-CD2 4.12Å; W952-L987 HydrophobicContact CZ2-CG 4.08Å; W952-L988 HydrophobicContact CH2-CB 4.17Å; W952-L988 HydrophobicContact CH2-CD1 4.48Å; W952-L988 HydrophobicContact CZ2-CD1 4.16Å; W952-F1002 HydrophobicContact CB-CD1 4.14Å; W952-F1002 HydrophobicContact CB-CD2 3.77Å; W952-F1002 HydrophobicContact CB-CE1 3.98Å; W952-F1002 HydrophobicContact CB-CE2 3.58Å; W952-F1002 HydrophobicContact CB-CG 4.06Å; W952-F1002 HydrophobicContact CB-CZ 3.7Å; W952-F1002 AromaticContact CD1-CD1 3.42Å; W952-F1002 VanDerWaalsContact CD1-CD1 3.42Å; W952-F1002 AromaticContact CD1-CE1 3.22Å; W952-F1002 AromaticContact CD1-CZ 3.8Å; W952-F1002 HydrophobicContact CD2-CD1 4.39Å; W952-F1002 AromaticContact CD2-CE1 3.5Å; W952-F1002 HydrophobicContact CD2-CE1 3.5Å; W952-F1002 HydrophobicContact CD2-CE2 4.12Å; W952-F1002 AromaticContact CD2-CZ 3.34Å; W952-F1002 HydrophobicContact CD2-CZ 3.34Å; W952-F1002 AromaticContact CE2-CE1 3.54Å; W952-F1002 AromaticContact CE2-CZ 3.81Å; W952-F1002 HydrophobicContact CE3-CE1 4.3Å; W952-F1002 HydrophobicContact CE3-CE2 4.39Å; W952-F1002 AromaticContact CE3-CZ 3.7Å; W952-F1002 HydrophobicContact CE3-CZ 3.7Å; W952-F1002 AromaticContact CG-CD1 3.74Å; W952-F1002 HydrophobicContact CG-CD1 3.74Å; W952-F1002 HydrophobicContact CG-CD2 4.2Å; W952-F1002 AromaticContact CG-CE1 3.31Å; W952-F1002 HydrophobicContact CG-CE1 3.31Å; W952-F1002 AromaticContact CG-CE2 3.8Å; W952-F1002 HydrophobicContact CG-CE2 3.8Å; W952-F1002 HydrophobicContact CG-CG 4.18Å; W952-F1002 AromaticContact CG-CZ 3.35Å; W952-F1002 HydrophobicContact CG-CZ 3.35Å; W952-F1002 HydrophobicContact CZ2-CE1 4.31Å; W952-F1002 HydrophobicContact CZ2-CZ 4.5Å; W952-F1002 HydrophobicContact CZ3-CZ 4.4Å; W952-F1002 AromaticContact NE1-CD1 3.93Å; W952-F1002 AromaticContact NE1-CE1 3.4Å; W952-F1014 AromaticContact CD1-CG 3.97Å; W952-F1014 AromaticContact CE2-CE2 3.69Å; W952-F1014 AromaticContact CE2-CZ 3.82Å; W952-F1014 HydrophobicContact CZ2-CD2 4.23Å; W952-F1014 AromaticContact CZ2-CE2 3.5Å; W952-F1014 HydrophobicContact CZ2-CE2 3.5Å; W952-F1014 AromaticContact CZ2-CZ 3.69Å; W952-F1014 HydrophobicContact CZ2-CZ 3.69Å; W952-F1014 AromaticContact NE1-CD1 3.4Å; W952-F1014 AromaticContact NE1-CD2 3.27Å; W952-F1014 VanDerWaalsContact NE1-CD2 3.27Å; W952-F1014 AromaticContact NE1-CE1 3.44Å; W952-F1014 AromaticContact NE1-CE2 3.29Å; W952-F1014 VanDerWaalsContact NE1-CE2 3.29Å; W952-F1014 AromaticContact NE1-CG 3.32Å; W952-F1014 VanDerWaalsContact NE1-CG 3.32Å; W952-F1014 AromaticContact NE1-CZ 3.38Å
953K93.2Very high85.8Confident51 Ų5150.8 Ų50.822%0.22228%0.28CS..Hα-helixtrans-64-41.9177.1-174.5179.5178.5-165.90111.9E668 V949 D951 N955 W973E668-K953 IonicContact OE1-NZ 2.8Å; E668-K953 PolarHBondContact OE1-NZ 2.83Å; V949-K953 WeakPolarHBondContact O-CB 3.43Å; V949-K953 PolarHBondContact O-N 3.14Å; D951-K953 PolarHBondContact O-N 2.98Å; K953-N955 VanDerWaalsContact C-N 3.29Å; K953-N955 PolarHBondContact O-N 3.15Å; K953-W973 HydrophobicContact CB-CD2 3.95Å; K953-W973 HydrophobicContact CB-CE3 3.97Å; K953-W973 HydrophobicContact CB-CH2 4.11Å; K953-W973 HydrophobicContact CB-CZ2 4.06Å; K953-W973 HydrophobicContact CB-CZ3 4.05Å; K953-W973 HydrophobicContact CD-CD2 4.21Å; K953-W973 HydrophobicContact CD-CG 4.06Å; K953-W973 HydrophobicContact CG-CD2 3.9Å; K953-W973 HydrophobicContact CG-CE3 4.43Å; K953-W973 HydrophobicContact CG-CG 4.19Å; K953-W973 HydrophobicContact CG-CZ2 4.26Å
954A92.1Very high86.6Confident76 Ų7652.5 Ų52.563%0.62829%0.294SS*.Hα-helixtrans-67-27.4179.300000113.6T950 D951T950-A954 WeakPolarHBondContact O-CB 3.25Å; T950-A954 PolarHBondContact O-N 3.09Å; D951-A954 PolarHBondContact O-N 3.49Å
955N92.3Very high87.9Confident24 Ų2455.6 Ų55.613%0.12831%0.31CS..THydrogen-bonded Turntrans-109.819.8-178.8-78.7-65.3000114.3D951 W952 K953 F1002 S1003 K1013D951-N955 WeakPolarHBondContact O-CB 3.37Å; D951-N955 PolarHBondContact O-N 2.85Å; D951-N955 PolarHBondContact OD1-ND2 2.95Å; W952-N955 CarbonylContact O-C 3.41Å; W952-N955 PolarHBondContact O-N 3.16Å; K953-N955 VanDerWaalsContact C-N 3.29Å; K953-N955 PolarHBondContact O-N 3.15Å; N955-F1002 HydrophobicContact CB-CB 3.57Å; N955-S1003 WeakPolarHBondContact OD1-CA 3.38Å; N955-S1003 WeakPolarHBondContact OD1-CB 3.49Å; N955-K1013 PolarHBondContact OD1-NZ 2.88Å
956T95.2Very high89.4Confident11 Ų1153 Ų537%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-94.8136.1172.6-67.70000112.2W952 Y958 W973 F1014 V1016W952-T956 WeakPolarHBondContact O-CB 3.1Å; W952-T956 PolarHBondContact O-N 3.34Å; W952-T956 VanDerWaalsContact O-N 3.14Å; W952-T956 PolarHBondContact O-OG1 2.79Å; T956-Y958 HydrophobicContact CG2-CD1 4.21Å; T956-Y958 HydrophobicContact CG2-CE1 3.61Å; T956-Y958 HydrophobicContact CG2-CE2 4.4Å; T956-W973 HydrophobicContact CG2-CZ2 4.02Å; T956-W973 WeakPolarHBondContact OG1-CZ2 3.25Å; T956-F1014 CarbonylContact C-O 3.53Å; T956-F1014 WeakPolarHBondContact CA-O 3.4Å; T956-F1014 HydrophobicContact CG2-CD1 3.84Å; T956-F1014 HydrophobicContact CG2-CE1 4.47Å; T956-F1014 WeakPolarHBondContact OG1-CD1 3.39Å; T956-V1016 HydrophobicContact CG2-CG2 3.96Å
957L94.1Very high90.5Very high84 Ų8450 Ų5044%0.4428%0.284SS..EExtended strand (participates in β ladder)trans-96.2152.5168.2-59.5178.4000110.8K1013 F1014 T1015 V1016L957-K1013 HydrophobicContact CD1-CB 4.01Å; L957-K1013 HydrophobicContact CD2-CD 4.5Å; L957-K1013 HydrophobicContact CG-CB 4.03Å; L957-K1013 HydrophobicContact CG-CD 4.39Å; L957-F1014 PolarHBondContact N-O 2.91Å; L957-T1015 HydrophobicContact CB-CG2 4.35Å; L957-T1015 CarbonylContact O-C 3.58Å; L957-T1015 WeakPolarHBondContact O-CA 3.34Å; L957-V1016 PolarHBondContact O-N 3.49Å
958Y96.2Very high91.3Very high52 Ų5250 Ų5020%0.20429%0.285CS..EExtended strand (participates in β ladder)trans-122.3145.4176.6-50.9-78.5000110.1T956 Y962 A964 I969 W973 V1016T956-Y958 HydrophobicContact CG2-CD1 4.21Å; T956-Y958 HydrophobicContact CG2-CE1 3.61Å; T956-Y958 HydrophobicContact CG2-CE2 4.4Å; Y958-Y962 WeakPolarHBondContact CB-O 3.3Å; Y958-A964 HydrophobicContact CE2-CB 4.07Å; Y958-I969 HydrophobicContact CD1-CD1 3.71Å; Y958-I969 HydrophobicContact CD1-CG1 3.96Å; Y958-I969 HydrophobicContact CD1-CG2 4Å; Y958-I969 HydrophobicContact CE1-CB 4.42Å; Y958-I969 HydrophobicContact CE1-CD1 3.92Å; Y958-I969 HydrophobicContact CE1-CG1 4.17Å; Y958-I969 HydrophobicContact CE1-CG2 3.38Å; Y958-W973 AromaticContact CZ-NE1 3.89Å; Y958-W973 PolarHBondContact OH-NE1 2.8Å; Y958-V1016 CarbonylContact C-O 3.57Å; Y958-V1016 WeakPolarHBondContact CA-O 3.25Å; Y958-V1016 HydrophobicContact CD1-CB 4.23Å
959K91.8Very high91.9Very high104 Ų10449.1 Ų49.145%0.45228%0.279SS..EExtended strand (participates in β ladder)trans-139.5160.9-177.4-75.2-174.2175.2-174.70112.2Y962 T1015 V1016 E1017 C1018K959-Y962 PolarHBondContact O-N 2.84Å; K959-T1015 HydrophobicContact CD-CG2 3.78Å; K959-T1015 HydrophobicContact CG-CG2 3.94Å; K959-V1016 PolarHBondContact N-O 2.77Å; K959-E1017 HydrophobicContact CB-CB 3.97Å; K959-E1017 HydrophobicContact CB-CG 3.62Å; K959-E1017 WeakPolarHBondContact CD-OE2 3.31Å; K959-C1018 PolarHBondContact O-N 2.79Å
960G89.1Confident92.1Very high67 Ų6749.9 Ų49.969%0.69128%0.283SS*.THydrogen-bonded Turntrans68.5-139.3-170.800000110.4Y962G960-Y962 PolarHBondContact O-N 3Å
961E89.1Confident92.3Very high149 Ų14947.8 Ų47.870%0.69627%0.269SS*.THydrogen-bonded Turntrans-72.6-5.6177.4-56.6-172144.700113.7
962Y94.8Very high92.7Very high9 Ų946.2 Ų46.24%0.03526%0.261CS..  trans-83.4135.9-175.8-67.6-15.5000113.6Y958 K959 G960 H966 V968 I969 V1016 C1018 L1037 P1038 A1039Y958-Y962 WeakPolarHBondContact CB-O 3.3Å; K959-Y962 PolarHBondContact O-N 2.84Å; G960-Y962 PolarHBondContact O-N 3Å; Y962-H966 HydrophobicContact CD1-CB 4.45Å; Y962-H966 AromaticContact CD1-CE1 3.7Å; Y962-H966 AromaticContact CD1-CG 3.81Å; Y962-H966 AromaticContact CD1-ND1 3.26Å; Y962-H966 VanDerWaalsContact CD1-ND1 3.26Å; Y962-H966 WeakPolarHBondContact CD1-ND1 3.31Å; Y962-H966 AromaticContact CE1-CE1 3.52Å; Y962-H966 AromaticContact CE1-ND1 3.37Å; Y962-H966 WeakPolarHBondContact CE1-ND1 3.24Å; Y962-V968 HydrophobicContact CE1-CB 4.03Å; Y962-V968 HydrophobicContact CE1-CG1 4.32Å; Y962-V968 HydrophobicContact CE1-CG2 4.25Å; Y962-I969 HydrophobicContact CD1-CG1 4.39Å; Y962-I969 HydrophobicContact CD2-CD1 3.73Å; Y962-I969 HydrophobicContact CD2-CG1 4.28Å; Y962-I969 HydrophobicContact CE2-CD1 4.35Å; Y962-I969 HydrophobicContact CG-CD1 3.91Å; Y962-I969 HydrophobicContact CG-CG1 3.94Å; Y962-V1016 HydrophobicContact CD2-CG1 4.07Å; Y962-V1016 HydrophobicContact CE2-CG1 4.32Å; Y962-C1018 HydrophobicContact CD1-CB 3.94Å; Y962-C1018 HydrophobicContact CD2-CB 3.88Å; Y962-C1018 HydrophobicContact CE1-CB 3.75Å; Y962-C1018 HydrophobicContact CE2-CB 3.68Å; Y962-C1018 HydrophobicContact CG-CB 4.01Å; Y962-L1037 HydrophobicContact CE2-CB 4.12Å; Y962-L1037 HydrophobicContact CE2-CD2 4.44Å; Y962-L1037 HydrophobicContact CE2-CG 4.42Å; Y962-L1037 VanDerWaalsContact CE2-O 3.3Å; Y962-L1037 WeakPolarHBondContact CE2-O 3.45Å; Y962-L1037 PolarHBondContact OH-O 2.84Å; Y962-P1038 VanDerWaalsContact OH-C 3.32Å; Y962-P1038 PolarHBondContact OH-O 2.89Å; Y962-A1039 WeakPolarHBondContact OH-CA 3.28Å; Y962-A1039 PolarHBondContact OH-N 3.02Å
963H93.4Very high92.8Very high99 Ų9946.5 Ų46.546%0.45826%0.262SS..  trans-144.4165.6173.563.5108000108.1N965 H966H963-N965 PolarHBondContact O-N 3.36Å; H963-H966 AromaticContact NE2-CD2 3.94Å; H963-H966 VanDerWaalsContact O-CB 3.23Å; H963-H966 WeakPolarHBondContact O-CB 3.43Å; H963-H966 PolarHBondContact O-N 2.8Å
964A89.8Confident92.6Very high39 Ų3946.6 Ų46.632%0.32226%0.263SS..THydrogen-bonded Turntrans-54.2-29.8-172.300000115Y958Y958-A964 HydrophobicContact CE2-CB 4.07Å
965N89.4Confident92.6Very high83 Ų8343 Ų4344%0.44423%0.233SC..THydrogen-bonded Turntrans-96.64.6-178-57.2-6.5000113.3H963H963-N965 PolarHBondContact O-N 3.36Å
966H92.8Very high92.6Very high36 Ų3641.8 Ų41.817%0.16723%0.226CC..  trans-67.1135.7177.9-166.1-102.2000109.8Y962 H963 V968 I969 V970Y962-H966 HydrophobicContact CD1-CB 4.45Å; Y962-H966 AromaticContact CD1-CE1 3.7Å; Y962-H966 AromaticContact CD1-CG 3.81Å; Y962-H966 AromaticContact CD1-ND1 3.26Å; Y962-H966 VanDerWaalsContact CD1-ND1 3.26Å; Y962-H966 WeakPolarHBondContact CD1-ND1 3.31Å; Y962-H966 AromaticContact CE1-CE1 3.52Å; Y962-H966 AromaticContact CE1-ND1 3.37Å; Y962-H966 WeakPolarHBondContact CE1-ND1 3.24Å; H963-H966 AromaticContact NE2-CD2 3.94Å; H963-H966 VanDerWaalsContact O-CB 3.23Å; H963-H966 WeakPolarHBondContact O-CB 3.43Å; H963-H966 PolarHBondContact O-N 2.8Å; H966-V968 PolarHBondContact O-N 2.96Å; H966-V968 VanDerWaalsContact O-N 3.16Å; H966-I969 HydrophobicContact CB-CB 4.24Å; H966-I969 HydrophobicContact CB-CG1 4.07Å; H966-I969 PolarHBondContact O-N 3.09Å; H966-V970 WeakPolarHBondContact O-CG2 3.48Å; H966-V970 PolarHBondContact O-N 3.47Å
967P91.4Very high92.3Very high43 Ų4342.1 Ų42.128%0.27923%0.227SC..Hα-helixtrans-55.7-37.9-174.622.2-35.7000113.4V970 N971P967-V970 PolarHBondContact O-N 2.9Å; P967-N971 WeakPolarHBondContact O-CB 3.48Å; P967-N971 VanDerWaalsContact O-CG 3.26Å; P967-N971 PolarHBondContact O-N 3.21Å
968V94.1Very high91.8Very high6 Ų639 Ų394%0.03621%0.211CC..Hα-helixtrans-65.4-40177.4-1730000111.1Y962 H966 N971 L972 L1037 A1039 L1046Y962-V968 HydrophobicContact CE1-CB 4.03Å; Y962-V968 HydrophobicContact CE1-CG1 4.32Å; Y962-V968 HydrophobicContact CE1-CG2 4.25Å; H966-V968 PolarHBondContact O-N 2.96Å; H966-V968 VanDerWaalsContact O-N 3.16Å; V968-N971 PolarHBondContact O-N 2.9Å; V968-L972 WeakPolarHBondContact O-CB 3.18Å; V968-L972 PolarHBondContact O-N 2.93Å; V968-L1037 HydrophobicContact CG1-CD2 3.95Å; V968-L1037 HydrophobicContact CG1-CG 4.22Å; V968-A1039 HydrophobicContact CG2-CB 4.31Å; V968-L1046 HydrophobicContact CG1-CD1 3.72Å; V968-L1046 WeakPolarHBondContact O-CD1 3.34Å
969I95.8Very high91.1Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-71.1-39.2176.8-64.3-55.9000111.5Y958 Y962 H966 N971 L972 W973 V1016Y958-I969 HydrophobicContact CD1-CD1 3.71Å; Y958-I969 HydrophobicContact CD1-CG1 3.96Å; Y958-I969 HydrophobicContact CD1-CG2 4Å; Y958-I969 HydrophobicContact CE1-CB 4.42Å; Y958-I969 HydrophobicContact CE1-CD1 3.92Å; Y958-I969 HydrophobicContact CE1-CG1 4.17Å; Y958-I969 HydrophobicContact CE1-CG2 3.38Å; Y962-I969 HydrophobicContact CD1-CG1 4.39Å; Y962-I969 HydrophobicContact CD2-CD1 3.73Å; Y962-I969 HydrophobicContact CD2-CG1 4.28Å; Y962-I969 HydrophobicContact CE2-CD1 4.35Å; Y962-I969 HydrophobicContact CG-CD1 3.91Å; Y962-I969 HydrophobicContact CG-CG1 3.94Å; H966-I969 HydrophobicContact CB-CB 4.24Å; H966-I969 HydrophobicContact CB-CG1 4.07Å; H966-I969 PolarHBondContact O-N 3.09Å; I969-N971 VanDerWaalsContact C-N 3.31Å; I969-N971 PolarHBondContact O-N 2.81Å; I969-L972 HydrophobicContact CD1-CD2 4.31Å; I969-L972 WeakPolarHBondContact O-CB 3.41Å; I969-L972 PolarHBondContact O-N 2.82Å; I969-W973 PolarHBondContact O-N 2.84Å; I969-V1016 HydrophobicContact CD1-CB 4.16Å; I969-V1016 HydrophobicContact CD1-CG1 3.77Å
970V92Very high90.2Very high16 Ų1635.1 Ų35.110%0.09720%0.201CC..Hα-helixtrans-61.9-41.1172.6172.60000110.5H966 P967 K974H966-V970 WeakPolarHBondContact O-CG2 3.48Å; H966-V970 PolarHBondContact O-N 3.47Å; P967-V970 PolarHBondContact O-N 2.9Å; V970-K974 HydrophobicContact CG1-CD 4.1Å; V970-K974 WeakPolarHBondContact O-CB 3.37Å; V970-K974 WeakPolarHBondContact O-CD 3.28Å; V970-K974 WeakPolarHBondContact O-CG 3.4Å; V970-K974 PolarHBondContact O-N 2.95Å
971N92.2Very high89.3Confident22 Ų2233.9 Ų33.912%0.11818%0.179CC..Hα-helixtrans-71-34.6176.2-72.9-7.8000113P967 V968 I969 K974 A975 F1043 L1046P967-N971 WeakPolarHBondContact O-CB 3.48Å; P967-N971 VanDerWaalsContact O-CG 3.26Å; P967-N971 PolarHBondContact O-N 3.21Å; V968-N971 PolarHBondContact O-N 2.9Å; I969-N971 VanDerWaalsContact C-N 3.31Å; I969-N971 PolarHBondContact O-N 2.81Å; N971-K974 WeakPolarHBondContact O-CB 3.44Å; N971-A975 WeakPolarHBondContact O-CB 3.39Å; N971-A975 PolarHBondContact O-N 3.47Å; N971-F1043 HydrophobicContact CB-CB 4.48Å; N971-F1043 HydrophobicContact CB-CD2 4.41Å; N971-L1046 HydrophobicContact CB-CD1 3.97Å
972L95.3Very high88.1Confident0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-59.2-52.7171.1177.168.4000111.1V968 I969 K974 A975 I976 V1016 L1035 L1037 L1046 L1050V968-L972 WeakPolarHBondContact O-CB 3.18Å; V968-L972 PolarHBondContact O-N 2.93Å; I969-L972 HydrophobicContact CD1-CD2 4.31Å; I969-L972 WeakPolarHBondContact O-CB 3.41Å; I969-L972 PolarHBondContact O-N 2.82Å; L972-K974 PolarHBondContact O-N 3.46Å; L972-A975 WeakPolarHBondContact O-CB 3.45Å; L972-A975 PolarHBondContact O-N 3.07Å; L972-I976 HydrophobicContact CD1-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CG1 4.47Å; L972-I976 HydrophobicContact CG-CD1 3.94Å; L972-I976 WeakPolarHBondContact O-CG1 3.38Å; L972-I976 PolarHBondContact O-N 2.83Å; L972-V1016 HydrophobicContact CD2-CG1 4.15Å; L972-V1016 HydrophobicContact CD2-CG2 3.9Å; L972-L1035 HydrophobicContact CD1-CD2 4.21Å; L972-L1035 HydrophobicContact CD2-CD2 4.37Å; L972-L1037 HydrophobicContact CB-CD2 4.24Å; L972-L1037 HydrophobicContact CD1-CD2 4.14Å; L972-L1037 HydrophobicContact CD2-CD2 3.94Å; L972-L1037 HydrophobicContact CG-CD2 4.33Å; L972-L1046 HydrophobicContact CB-CD1 4.45Å; L972-L1046 HydrophobicContact CB-CD2 4.46Å; L972-L1046 HydrophobicContact CD1-CD2 4.35Å; L972-L1050 HydrophobicContact CD1-CD2 3.71Å
973W94.9Very high86.8Confident5 Ų530.9 Ų30.92%0.01917%0.165CC..Hα-helixtrans-64.5-41.2179.3-71.6115.7000112.3V949 W952 K953 T956 Y958 I969 A975 I976 Y977V949-W973 HydrophobicContact CG1-CE3 3.82Å; V949-W973 HydrophobicContact CG1-CZ3 4.02Å; W952-W973 HydrophobicContact CB-CH2 4.09Å; W952-W973 HydrophobicContact CB-CZ3 4.04Å; W952-W973 AromaticContact CD1-CH2 3.59Å; W952-W973 HydrophobicContact CD2-CH2 4.29Å; W952-W973 HydrophobicContact CD2-CZ3 4.21Å; W952-W973 AromaticContact CG-CH2 3.71Å; W952-W973 HydrophobicContact CG-CH2 3.71Å; W952-W973 AromaticContact CG-CZ3 3.87Å; W952-W973 HydrophobicContact CG-CZ3 3.87Å; K953-W973 HydrophobicContact CB-CD2 3.95Å; K953-W973 HydrophobicContact CB-CE3 3.97Å; K953-W973 HydrophobicContact CB-CH2 4.11Å; K953-W973 HydrophobicContact CB-CZ2 4.06Å; K953-W973 HydrophobicContact CB-CZ3 4.05Å; K953-W973 HydrophobicContact CD-CD2 4.21Å; K953-W973 HydrophobicContact CD-CG 4.06Å; K953-W973 HydrophobicContact CG-CD2 3.9Å; K953-W973 HydrophobicContact CG-CE3 4.43Å; K953-W973 HydrophobicContact CG-CG 4.19Å; K953-W973 HydrophobicContact CG-CZ2 4.26Å; T956-W973 HydrophobicContact CG2-CZ2 4.02Å; T956-W973 WeakPolarHBondContact OG1-CZ2 3.25Å; Y958-W973 AromaticContact CZ-NE1 3.89Å; Y958-W973 PolarHBondContact OH-NE1 2.8Å; I969-W973 PolarHBondContact O-N 2.84Å; W973-A975 VanDerWaalsContact C-N 3.25Å; W973-A975 PolarHBondContact O-N 2.82Å; W973-I976 HydrophobicContact CE3-CB 4.32Å; W973-I976 HydrophobicContact CE3-CD1 3.85Å; W973-I976 HydrophobicContact CE3-CG2 4.48Å; W973-I976 HydrophobicContact CH2-CD1 4.3Å; W973-I976 HydrophobicContact CZ3-CD1 3.72Å; W973-I976 HydrophobicContact CZ3-CG2 4.36Å; W973-I976 PolarHBondContact O-N 3.04Å; W973-Y977 HydrophobicContact CB-CE2 4.39Å; W973-Y977 WeakPolarHBondContact O-CD2 3.35Å; W973-Y977 PolarHBondContact O-N 2.84Å
974K89.8Confident86.4Confident53 Ų5327.5 Ų27.523%0.2315%0.148CC..Hα-helixtrans-51.8-44.8169.4-77.8165.4174.8-179.30111.6M635 L672 V970 N971 L972 Y977 T978 F1043M635-K974 HydrophobicContact CE-CB 3.66Å; M635-K974 HydrophobicContact CE-CD 3.74Å; M635-K974 HydrophobicContact CE-CG 3.84Å; L672-K974 HydrophobicContact CD1-CG 3.85Å; V970-K974 HydrophobicContact CG1-CD 4.1Å; V970-K974 WeakPolarHBondContact O-CB 3.37Å; V970-K974 WeakPolarHBondContact O-CD 3.28Å; V970-K974 WeakPolarHBondContact O-CG 3.4Å; V970-K974 PolarHBondContact O-N 2.95Å; N971-K974 WeakPolarHBondContact O-CB 3.44Å; L972-K974 PolarHBondContact O-N 3.46Å; K974-Y977 PolarHBondContact O-N 3.32Å; K974-T978 WeakPolarHBondContact O-CG2 3.24Å; K974-T978 PolarHBondContact O-N 2.85Å; K974-F1043 HydrophobicContact CB-CD2 4.07Å; K974-F1043 HydrophobicContact CB-CE2 3.8Å
975A91.8Very high85.5Confident0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-65-48.1179.900000111.2N971 L972 W973 Y977 T978 F979 F1043 L1046 R1047N971-A975 WeakPolarHBondContact O-CB 3.39Å; N971-A975 PolarHBondContact O-N 3.47Å; L972-A975 WeakPolarHBondContact O-CB 3.45Å; L972-A975 PolarHBondContact O-N 3.07Å; W973-A975 VanDerWaalsContact C-N 3.25Å; W973-A975 PolarHBondContact O-N 2.82Å; A975-Y977 VanDerWaalsContact C-N 3.32Å; A975-Y977 PolarHBondContact O-N 2.98Å; A975-T978 CarbonylContact O-C 3.46Å; A975-T978 WeakPolarHBondContact O-CA 3.17Å; A975-T978 PolarHBondContact O-N 3.34Å; A975-T978 PolarHBondContact O-OG1 2.94Å; A975-F979 HydrophobicContact CB-CE1 4.36Å; A975-F979 HydrophobicContact CB-CZ 4.4Å; A975-F979 WeakPolarHBondContact O-CD1 3.39Å; A975-F979 WeakPolarHBondContact O-CG 3.47Å; A975-F979 PolarHBondContact O-N 2.9Å; A975-F979 VanDerWaalsContact O-N 3.09Å; A975-F1043 HydrophobicContact CB-CE2 3.98Å; A975-L1046 HydrophobicContact CB-CD2 4.22Å; A975-R1047 HydrophobicContact CB-CB 4.27Å; A975-R1047 HydrophobicContact CB-CG 4.19Å
976I92.4Very high84.4Confident0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-62.3-36.1179.6-61.3169.8000111.8V949 W952 L972 W973 T978 F979 R984 L987V949-I976 HydrophobicContact CB-CG2 4.46Å; V949-I976 HydrophobicContact CG1-CB 4.36Å; V949-I976 HydrophobicContact CG1-CG2 3.73Å; V949-I976 HydrophobicContact CG2-CG2 3.89Å; W952-I976 HydrophobicContact CE3-CG2 4.01Å; W952-I976 HydrophobicContact CZ3-CG2 3.99Å; L972-I976 HydrophobicContact CD1-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CG1 4.47Å; L972-I976 HydrophobicContact CG-CD1 3.94Å; L972-I976 WeakPolarHBondContact O-CG1 3.38Å; L972-I976 PolarHBondContact O-N 2.83Å; W973-I976 HydrophobicContact CE3-CB 4.32Å; W973-I976 HydrophobicContact CE3-CD1 3.85Å; W973-I976 HydrophobicContact CE3-CG2 4.48Å; W973-I976 HydrophobicContact CH2-CD1 4.3Å; W973-I976 HydrophobicContact CZ3-CD1 3.72Å; W973-I976 HydrophobicContact CZ3-CG2 4.36Å; W973-I976 PolarHBondContact O-N 3.04Å; I976-T978 VanDerWaalsContact C-N 3.35Å; I976-T978 PolarHBondContact O-N 3.33Å; I976-F979 WeakPolarHBondContact O-CB 3.09Å; I976-F979 PolarHBondContact O-N 2.92Å; I976-R984 HydrophobicContact CG2-CG 4.37Å; I976-R984 PolarHBondContact O-NE 3.16Å; I976-L987 HydrophobicContact CD1-CD2 3.73Å; I976-L987 HydrophobicContact CG1-CD2 3.67Å
977Y88.1Confident84Confident18 Ų1824.6 Ų24.67%0.07112%0.123CC..Hα-helixtrans-62.6-38.5171-77.7-65.6000112.2L672 L675 V949 W973 K974 A975 F979 R984L672-Y977 HydrophobicContact CB-CD2 4.08Å; L672-Y977 HydrophobicContact CB-CG 4.21Å; L672-Y977 VanDerWaalsContact O-CD1 3.29Å; L672-Y977 WeakPolarHBondContact O-CD1 3.37Å; L675-Y977 HydrophobicContact CB-CD1 4.36Å; V949-Y977 HydrophobicContact CB-CD1 3.91Å; V949-Y977 HydrophobicContact CB-CE1 3.65Å; V949-Y977 HydrophobicContact CG1-CD1 3.76Å; V949-Y977 HydrophobicContact CG1-CD2 4.22Å; V949-Y977 HydrophobicContact CG1-CE1 3.56Å; V949-Y977 HydrophobicContact CG1-CE2 4.03Å; V949-Y977 HydrophobicContact CG1-CG 4.07Å; V949-Y977 HydrophobicContact CG2-CD1 4.35Å; W973-Y977 HydrophobicContact CB-CE2 4.39Å; W973-Y977 WeakPolarHBondContact O-CD2 3.35Å; W973-Y977 PolarHBondContact O-N 2.84Å; K974-Y977 PolarHBondContact O-N 3.32Å; A975-Y977 VanDerWaalsContact C-N 3.32Å; A975-Y977 PolarHBondContact O-N 2.98Å; Y977-F979 VanDerWaalsContact C-N 3.29Å; Y977-F979 PolarHBondContact O-N 3.35Å; Y977-R984 PolarHBondContact O-NH2 2.91Å; Y977-R984 VanDerWaalsContact O-NH2 3.11Å
978T82.8Confident83.6Confident18 Ų1822.5 Ų22.511%0.1111%0.11CC..Hα-helixtrans-74.8-10.6174.370.10000114.9K974 A975 I976 F1043 R1047K974-T978 WeakPolarHBondContact O-CG2 3.24Å; K974-T978 PolarHBondContact O-N 2.85Å; A975-T978 CarbonylContact O-C 3.46Å; A975-T978 WeakPolarHBondContact O-CA 3.17Å; A975-T978 PolarHBondContact O-N 3.34Å; A975-T978 PolarHBondContact O-OG1 2.94Å; I976-T978 VanDerWaalsContact C-N 3.35Å; I976-T978 PolarHBondContact O-N 3.33Å; T978-F1043 HydrophobicContact CG2-CZ 4.39Å; T978-R1047 PolarHBondContact OG1-NE 2.86Å; T978-R1047 PolarHBondContact OG1-NH2 2.95Å
979F81.8Confident82.4Confident4 Ų423.9 Ų23.92%0.01812%0.116CC..SBendtrans-77.8140.8179.8-73.6-0.4000111.2A975 I976 Y977 L983 R984 L987 R1047 L1050 I1051 I1054A975-F979 HydrophobicContact CB-CE1 4.36Å; A975-F979 HydrophobicContact CB-CZ 4.4Å; A975-F979 WeakPolarHBondContact O-CD1 3.39Å; A975-F979 WeakPolarHBondContact O-CG 3.47Å; A975-F979 PolarHBondContact O-N 2.9Å; A975-F979 VanDerWaalsContact O-N 3.09Å; I976-F979 WeakPolarHBondContact O-CB 3.09Å; I976-F979 PolarHBondContact O-N 2.92Å; Y977-F979 VanDerWaalsContact C-N 3.29Å; Y977-F979 PolarHBondContact O-N 3.35Å; F979-L983 HydrophobicContact CB-CB 3.78Å; F979-L983 HydrophobicContact CD1-CD1 4.34Å; F979-L983 HydrophobicContact CD2-CB 4.08Å; F979-L983 HydrophobicContact CG-CB 3.9Å; F979-L983 HydrophobicContact CG-CD1 4.49Å; F979-R984 HydrophobicContact CB-CG 3.9Å; F979-R984 PolarHBondContact O-NE 2.8Å; F979-R984 PolarHBondContact O-NH2 2.98Å; F979-L987 HydrophobicContact CE2-CD2 4.29Å; F979-R1047 HydrophobicContact CE1-CG 4.06Å; F979-L1050 HydrophobicContact CE2-CD2 4.09Å; F979-L1050 HydrophobicContact CZ-CD2 4.1Å; F979-I1051 HydrophobicContact CE1-CD1 3.94Å; F979-I1051 HydrophobicContact CE1-CG1 3.88Å; F979-I1051 HydrophobicContact CZ-CD1 4.37Å; F979-I1051 HydrophobicContact CZ-CG1 3.81Å; F979-I1054 HydrophobicContact CE2-CD1 4Å
980T73.8Confident81.6Confident70 Ų7025.1 Ų25.143%0.42912%0.121SC..  trans-63.3160.416761.10000110.3E982 L983 R984T980-E982 PolarHBondContact O-N 3.25Å; T980-E982 VanDerWaalsContact O-N 3.17Å; T980-L983 PolarHBondContact O-N 2.89Å; T980-L983 PolarHBondContact OG1-N 3.32Å; T980-R984 WeakPolarHBondContact O-CG 3.44Å; T980-R984 PolarHBondContact O-N 3.22Å
981N70.3Confident81.1Confident42 Ų4224.4 Ų24.423%0.22512%0.117CC..Hα-helixtrans-60.9-26.6177.2-167.939.1000112.4Q945 D946 I947 S985Q945-N981 PolarHBondContact O-ND2 3.27Å; D946-N981 PolarHBondContact OD1-ND2 3.29Å; I947-N981 PolarHBondContact N-OD1 3.31Å; I947-N981 VanDerWaalsContact N-OD1 3.1Å; N981-S985 WeakPolarHBondContact O-CB 3.39Å; N981-S985 PolarHBondContact O-N 2.89Å; N981-S985 PolarHBondContact O-OG 3.3Å
982E62.3Low80.1Confident90 Ų9023.4 Ų23.442%0.42111%0.111SC..Hα-helixtrans-64.8-51.6169.5-171.5-173.6164.100112.1T980 R984 S985 R986T980-E982 PolarHBondContact O-N 3.25Å; T980-E982 VanDerWaalsContact O-N 3.17Å; E982-R984 VanDerWaalsContact C-N 3.29Å; E982-R984 PolarHBondContact O-N 2.88Å; E982-S985 CarbonylContact O-C 3.56Å; E982-S985 WeakPolarHBondContact O-CA 3.3Å; E982-S985 WeakPolarHBondContact O-CB 3.48Å; E982-S985 PolarHBondContact O-N 3.09Å; E982-R986 WeakPolarHBondContact O-CG 3.33Å; E982-R986 PolarHBondContact O-N 3.03Å; E982-R986 IonicContact OE1-CZ 3.46Å; E982-R986 VanDerWaalsContact OE1-CZ 3.27Å; E982-R986 IonicContact OE1-NE 2.73Å; E982-R986 PolarHBondContact OE1-NE 3.16Å; E982-R986 IonicContact OE1-NH2 3.99Å; E982-R986 PolarHBondContact OE1-NH2 3.21Å
983L68.6Low78.5Confident4 Ų423.4 Ų23.42%0.02111%0.111CC..Hα-helixtrans-63.8-34.6178.4-75.5171.9000112.1A630 F979 T980 R986 L987A630-L983 HydrophobicContact CB-CD1 4.08Å; F979-L983 HydrophobicContact CB-CB 3.78Å; F979-L983 HydrophobicContact CD1-CD1 4.34Å; F979-L983 HydrophobicContact CD2-CB 4.08Å; F979-L983 HydrophobicContact CG-CB 3.9Å; F979-L983 HydrophobicContact CG-CD1 4.49Å; T980-L983 PolarHBondContact O-N 2.89Å; T980-L983 PolarHBondContact OG1-N 3.32Å; L983-R986 PolarHBondContact O-N 2.67Å; L983-L987 WeakPolarHBondContact O-CB 3.47Å; L983-L987 PolarHBondContact O-N 3.02Å
984R84.4Confident77.1Confident28 Ų2823.9 Ų23.911%0.10612%0.115CC..Hα-helixtrans-61.4-44.1169.4-66174.7-166.6178.62111.3L675 I947 W952 I976 Y977 F979 T980 E982 L987 L988L675-R984 PolarHBondContact O-NH2 3.18Å; I947-R984 HydrophobicContact CB-CB 4.23Å; I947-R984 HydrophobicContact CD1-CB 4.07Å; I947-R984 HydrophobicContact CG2-CB 4.37Å; I947-R984 PolarHBondContact O-NH1 2.93Å; W952-R984 HydrophobicContact CZ3-CB 4.16Å; I976-R984 HydrophobicContact CG2-CG 4.37Å; I976-R984 PolarHBondContact O-NE 3.16Å; Y977-R984 PolarHBondContact O-NH2 2.91Å; Y977-R984 VanDerWaalsContact O-NH2 3.11Å; F979-R984 HydrophobicContact CB-CG 3.9Å; F979-R984 PolarHBondContact O-NE 2.8Å; F979-R984 PolarHBondContact O-NH2 2.98Å; T980-R984 WeakPolarHBondContact O-CG 3.44Å; T980-R984 PolarHBondContact O-N 3.22Å; E982-R984 VanDerWaalsContact C-N 3.29Å; E982-R984 PolarHBondContact O-N 2.88Å; R984-L987 PolarHBondContact O-N 3.08Å; R984-L988 WeakPolarHBondContact O-CB 3.43Å; R984-L988 PolarHBondContact O-N 2.86Å
985S70.6Confident76Confident12 Ų1221.6 Ų21.68%0.08411%0.106CC..Hα-helixtrans-65.5-39.8178.2-59.10000112.1N981 E982 L988 Q989N981-S985 WeakPolarHBondContact O-CB 3.39Å; N981-S985 PolarHBondContact O-N 2.89Å; N981-S985 PolarHBondContact O-OG 3.3Å; E982-S985 CarbonylContact O-C 3.56Å; E982-S985 WeakPolarHBondContact O-CA 3.3Å; E982-S985 WeakPolarHBondContact O-CB 3.48Å; E982-S985 PolarHBondContact O-N 3.09Å; S985-L988 PolarHBondContact O-N 3.22Å; S985-Q989 WeakPolarHBondContact O-CB 3.49Å; S985-Q989 PolarHBondContact O-N 2.95Å
986R67.2Low75Confident84 Ų8422.7 Ų22.732%0.31711%0.11SC..Hα-helixtrans-69.7-39.7175.8-64.1179-179.4-129.12.6112.2L626 E982 L983 L988 Q989 F990 I1054L626-R986 VanDerWaalsContact CD1-CZ 3.48Å; L626-R986 VanDerWaalsContact CD1-NH2 3.33Å; E982-R986 WeakPolarHBondContact O-CG 3.33Å; E982-R986 PolarHBondContact O-N 3.03Å; E982-R986 IonicContact OE1-CZ 3.46Å; E982-R986 VanDerWaalsContact OE1-CZ 3.27Å; E982-R986 IonicContact OE1-NE 2.73Å; E982-R986 PolarHBondContact OE1-NE 3.16Å; E982-R986 IonicContact OE1-NH2 3.99Å; E982-R986 PolarHBondContact OE1-NH2 3.21Å; L983-R986 PolarHBondContact O-N 2.67Å; R986-L988 VanDerWaalsContact C-N 3.33Å; R986-L988 PolarHBondContact O-N 3.02Å; R986-Q989 PolarHBondContact O-N 3.48Å; R986-F990 WeakPolarHBondContact O-CB 3.27Å; R986-F990 PolarHBondContact O-N 2.84Å; R986-I1054 HydrophobicContact CB-CG2 3.3Å; R986-I1054 HydrophobicContact CG-CG2 4.43Å
987L83.4Confident74.1Confident1 Ų122.8 Ų22.81%0.00511%0.11CC..Hα-helixtrans-62.1-41.1171.417558.6000111.7W952 I976 F979 L983 R984 Q989 F990 V991 L1050 I1054W952-L987 HydrophobicContact CH2-CB 4.09Å; W952-L987 HydrophobicContact CH2-CD2 3.75Å; W952-L987 HydrophobicContact CH2-CG 3.76Å; W952-L987 HydrophobicContact CZ2-CD2 4.12Å; W952-L987 HydrophobicContact CZ2-CG 4.08Å; I976-L987 HydrophobicContact CD1-CD2 3.73Å; I976-L987 HydrophobicContact CG1-CD2 3.67Å; F979-L987 HydrophobicContact CE2-CD2 4.29Å; L983-L987 WeakPolarHBondContact O-CB 3.47Å; L983-L987 PolarHBondContact O-N 3.02Å; R984-L987 PolarHBondContact O-N 3.08Å; L987-Q989 VanDerWaalsContact C-N 3.33Å; L987-F990 HydrophobicContact CD1-CD1 4.45Å; L987-F990 PolarHBondContact O-N 2.83Å; L987-V991 HydrophobicContact CD1-CG2 3.91Å; L987-V991 WeakPolarHBondContact O-CG2 3.43Å; L987-V991 PolarHBondContact O-N 3.13Å; L987-L1050 HydrophobicContact CD1-CD1 3.98Å; L987-L1050 HydrophobicContact CD2-CD2 4.42Å; L987-I1054 HydrophobicContact CB-CD1 3.73Å; L987-I1054 HydrophobicContact CB-CG1 4.27Å; L987-I1054 HydrophobicContact CD1-CD1 3.98Å; L987-I1054 HydrophobicContact CD1-CG1 4.2Å; L987-I1054 HydrophobicContact CG-CD1 4.33Å
988L83.9Confident73.1Confident0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-62.9-42.2175.3-171.265.9000111.2I947 W952 R984 S985 R986 V991 T992 T994 V997 F1002I947-L988 HydrophobicContact CD1-CB 4.28Å; I947-L988 HydrophobicContact CD1-CD2 3.87Å; W952-L988 HydrophobicContact CH2-CB 4.17Å; W952-L988 HydrophobicContact CH2-CD1 4.48Å; W952-L988 HydrophobicContact CZ2-CD1 4.16Å; R984-L988 WeakPolarHBondContact O-CB 3.43Å; R984-L988 PolarHBondContact O-N 2.86Å; S985-L988 PolarHBondContact O-N 3.22Å; R986-L988 VanDerWaalsContact C-N 3.33Å; R986-L988 PolarHBondContact O-N 3.02Å; L988-V991 PolarHBondContact O-N 2.84Å; L988-T992 HydrophobicContact CD1-CG2 3.83Å; L988-T992 WeakPolarHBondContact O-CB 3.33Å; L988-T992 PolarHBondContact O-N 3.01Å; L988-T992 PolarHBondContact O-OG1 3.33Å; L988-T994 CarbonylContact C-O 3.5Å; L988-T994 WeakPolarHBondContact CG-O 3.2Å; L988-V997 HydrophobicContact CD2-CB 4.47Å; L988-V997 HydrophobicContact CD2-CG2 3.4Å; L988-F1002 HydrophobicContact CD1-CE1 3.49Å; L988-F1002 VanDerWaalsContact CD1-CE1 3.49Å; L988-F1002 HydrophobicContact CD1-CZ 3.83Å; L988-F1002 HydrophobicContact CD2-CZ 4.43Å
989Q69.9Low71.9Confident35 Ų3523.1 Ų23.116%0.16411%0.114CC..Hα-helixtrans-63-43.7175.3-171-167.2-28.500112F758 S985 R986 L987 V991 G993 T994F758-Q989 VanDerWaalsContact CE1-CD 3.45Å; F758-Q989 VanDerWaalsContact CE1-OE1 3.3Å; S985-Q989 WeakPolarHBondContact O-CB 3.49Å; S985-Q989 PolarHBondContact O-N 2.95Å; R986-Q989 PolarHBondContact O-N 3.48Å; L987-Q989 VanDerWaalsContact C-N 3.33Å; Q989-V991 PolarHBondContact O-N 2.76Å; Q989-G993 WeakPolarHBondContact O-CA 3.29Å; Q989-G993 PolarHBondContact O-N 3.28Å; Q989-T994 VanDerWaalsContact CA-O 3.22Å; Q989-T994 WeakPolarHBondContact CA-O 3.35Å; Q989-T994 PolarHBondContact N-O 3.27Å; Q989-T994 VanDerWaalsContact N-O 3.12Å
990F77.9Confident71.3Confident26 Ų2625 Ų2511%0.11413%0.125CC..Hα-helixtrans-57.6-46.9176.4179.1-120.3000111.8R986 L987 P1026 A1028 T1030 L1035 A1053 A1057R986-F990 WeakPolarHBondContact O-CB 3.27Å; R986-F990 PolarHBondContact O-N 2.84Å; L987-F990 HydrophobicContact CD1-CD1 4.45Å; L987-F990 PolarHBondContact O-N 2.83Å; F990-P1026 WeakPolarHBondContact CZ-O 3.5Å; F990-A1028 HydrophobicContact CD1-CB 4Å; F990-A1028 HydrophobicContact CD2-CB 4.22Å; F990-A1028 HydrophobicContact CE1-CB 3.8Å; F990-A1028 HydrophobicContact CE2-CB 4.04Å; F990-A1028 HydrophobicContact CG-CB 4.21Å; F990-A1028 HydrophobicContact CZ-CB 3.83Å; F990-A1028 WeakPolarHBondContact O-CB 3.31Å; F990-T1030 VanDerWaalsContact O-CG2 3.24Å; F990-T1030 WeakPolarHBondContact O-CG2 3.44Å; F990-L1035 HydrophobicContact CD1-CD1 4.3Å; F990-L1035 HydrophobicContact CE1-CD1 3.94Å; F990-A1053 HydrophobicContact CE1-CB 4.28Å; F990-A1053 HydrophobicContact CZ-CB 4.04Å; F990-A1057 HydrophobicContact CD2-CB 3.56Å; F990-A1057 HydrophobicContact CE2-CB 4.01Å
991V82.1Confident71.3Confident0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-86.6-24.6-173.5-178.70000114L987 L988 Q989 F1014 T1030 N1033 L1035L987-V991 HydrophobicContact CD1-CG2 3.91Å; L987-V991 WeakPolarHBondContact O-CG2 3.43Å; L987-V991 PolarHBondContact O-N 3.13Å; L988-V991 PolarHBondContact O-N 2.84Å; Q989-V991 PolarHBondContact O-N 2.76Å; V991-F1014 HydrophobicContact CB-CD2 4.46Å; V991-F1014 HydrophobicContact CB-CE2 3.6Å; V991-F1014 HydrophobicContact CB-CZ 4.13Å; V991-F1014 HydrophobicContact CG1-CD2 3.86Å; V991-F1014 HydrophobicContact CG1-CE2 3.3Å; V991-F1014 HydrophobicContact CG1-CZ 3.77Å; V991-F1014 HydrophobicContact CG2-CE2 4.06Å; V991-F1014 HydrophobicContact CG2-CZ 4.11Å; V991-T1030 WeakPolarHBondContact O-CA 3.49Å; V991-N1033 WeakPolarHBondContact O-CA 3.49Å; V991-L1035 HydrophobicContact CG1-CB 4.08Å; V991-L1035 HydrophobicContact CG2-CB 3.88Å; V991-L1035 HydrophobicContact CG2-CD1 3.82Å; V991-L1035 HydrophobicContact CG2-CG 4.31Å
992T71.5Confident72Confident1 Ų120 Ų201%0.00610%0.097CC..Hα-helixtrans-123.5-5.9-174.274.20000114.5R754 L988 T994 L1005 F1014 N1033R754-T992 VanDerWaalsContact CD-O 3.28Å; R754-T992 WeakPolarHBondContact CD-O 3.36Å; R754-T992 PolarHBondContact NE-O 3.09Å; R754-T992 PolarHBondContact NH1-O 3.42Å; L988-T992 HydrophobicContact CD1-CG2 3.83Å; L988-T992 WeakPolarHBondContact O-CB 3.33Å; L988-T992 PolarHBondContact O-N 3.01Å; L988-T992 PolarHBondContact O-OG1 3.33Å; T992-T994 PolarHBondContact O-N 3.12Å; T992-T994 PolarHBondContact OG1-N 2.9Å; T992-T994 PolarHBondContact OG1-O 3.2Å; T992-L1005 HydrophobicContact CG2-CD1 4.45Å; T992-L1005 HydrophobicContact CG2-CD2 4.48Å; T992-F1014 HydrophobicContact CG2-CD2 4.25Å; T992-N1033 WeakPolarHBondContact CB-OD1 3.41Å; T992-N1033 HydrophobicContact CG2-CB 4.08Å
993G61.8Low73.1Confident0 Ų018.2 Ų18.20%09%0.093CC..SBendtrans74.25.8-174.800000114.7R754 E755 Q989R754-G993 CarbonylContact C-O 3.56Å; R754-G993 VanDerWaalsContact C-O 3.3Å; R754-G993 VanDerWaalsContact CB-O 3.23Å; R754-G993 WeakPolarHBondContact CB-O 3.2Å; E755-G993 PolarHBondContact N-O 2.93Å; Q989-G993 WeakPolarHBondContact O-CA 3.29Å; Q989-G993 PolarHBondContact O-N 3.28Å
994T63.8Low73.5Confident16 Ų1619.6 Ų19.610%0.09810%0.1CC..  trans-141.1143.2174.9-176.50000112L988 Q989 T992 R996L988-T994 CarbonylContact C-O 3.5Å; L988-T994 WeakPolarHBondContact CG-O 3.2Å; Q989-T994 VanDerWaalsContact CA-O 3.22Å; Q989-T994 WeakPolarHBondContact CA-O 3.35Å; Q989-T994 PolarHBondContact N-O 3.27Å; Q989-T994 VanDerWaalsContact N-O 3.12Å; T992-T994 PolarHBondContact O-N 3.12Å; T992-T994 PolarHBondContact OG1-N 2.9Å; T992-T994 PolarHBondContact OG1-O 3.2Å; T994-R996 PolarHBondContact O-N 3.2Å; T994-R996 PolarHBondContact OG1-N 3.04Å
995S67.6Low73Confident5 Ų518.5 Ų18.54%0.03510%0.096CC..SBendtrans-80.72178.358.70000114F758F758-S995 VanDerWaalsContact CE2-OG 3.26Å; F758-S995 WeakPolarHBondContact CE2-OG 3.16Å
996R69.9Low72.9Confident23 Ų2322.6 Ų22.69%0.08711%0.11CC..  trans-125140.9-167.3-58.9-71.1160.9-131.1-3.7111.3L815 D817 C942 L944 T994L815-R996 HydrophobicContact CB-CB 4.43Å; L815-R996 HydrophobicContact CD1-CB 3.58Å; D817-R996 IonicContact OD1-CZ 3.18Å; D817-R996 VanDerWaalsContact OD1-CZ 3.29Å; D817-R996 IonicContact OD1-NE 2.76Å; D817-R996 PolarHBondContact OD1-NE 3.49Å; D817-R996 IonicContact OD1-NH2 3.66Å; D817-R996 PolarHBondContact OD1-NH2 2.88Å; C942-R996 WeakPolarHBondContact O-CB 3.45Å; C942-R996 VanDerWaalsContact O-CD 3.28Å; C942-R996 WeakPolarHBondContact O-CD 3.3Å; C942-R996 WeakPolarHBondContact O-CG 3.29Å; L944-R996 WeakPolarHBondContact O-CD 3.22Å; T994-R996 PolarHBondContact O-N 3.2Å; T994-R996 PolarHBondContact OG1-N 3.04Å
997V74.7Confident72.6Confident1 Ų119 Ų191%0.00610%0.099CC..BIsolated β-bridgetrans-95141.1175.5-172.30000109.1L944 I947 L988 G1001 F1002L944-V997 HydrophobicContact CB-CB 4.11Å; L944-V997 WeakPolarHBondContact CB-O 3.44Å; L944-V997 HydrophobicContact CD1-CB 3.96Å; L944-V997 HydrophobicContact CD1-CG1 4.03Å; L944-V997 HydrophobicContact CG-CB 4.37Å; L944-V997 WeakPolarHBondContact CG-O 3.35Å; L944-V997 PolarHBondContact N-O 3.39Å; I947-V997 HydrophobicContact CG1-CG2 4.06Å; I947-V997 HydrophobicContact CG2-CG2 4.39Å; L988-V997 HydrophobicContact CD2-CB 4.47Å; L988-V997 HydrophobicContact CD2-CG2 3.4Å; V997-G1001 VanDerWaalsContact CG1-C 3.49Å; V997-F1002 HydrophobicContact CB-CE2 4.34Å; V997-F1002 HydrophobicContact CG1-CD2 3.75Å; V997-F1002 HydrophobicContact CG1-CE2 3.87Å; V997-F1002 HydrophobicContact CG1-CG 4.22Å; V997-F1002 HydrophobicContact CG1-CZ 4.41Å; V997-F1002 HydrophobicContact CG2-CD2 4.2Å; V997-F1002 HydrophobicContact CG2-CE1 4.37Å; V997-F1002 HydrophobicContact CG2-CE2 3.45Å; V997-F1002 VanDerWaalsContact CG2-CE2 3.45Å; V997-F1002 HydrophobicContact CG2-CZ 3.54Å
998P66.8Low71.3Confident33 Ų3320.7 Ų20.721%0.21411%0.111CC..  trans-56.8152.8170.4-2636.7000112.5L944 N1000 G1001 E1004 L1005L944-P998 VanDerWaalsContact CD1-O 3.24Å; L944-P998 WeakPolarHBondContact CD1-O 3.3Å; P998-N1000 VanDerWaalsContact C-N 3.25Å; P998-N1000 PolarHBondContact O-N 3.33Å; P998-N1000 VanDerWaalsContact O-N 3.17Å; P998-G1001 WeakPolarHBondContact O-CA 3.02Å; P998-G1001 PolarHBondContact O-N 2.83Å; P998-E1004 WeakPolarHBondContact CG-O 3.4Å; P998-L1005 HydrophobicContact CG-CD2 4.46Å
999M57.8Low69.8Low11 Ų1126.4 Ų26.45%0.05415%0.151CC..THydrogen-bonded Turntrans-57.9-35.7-174.7-163.7-148.4-77.900113.5Y682 Y686 E936 L939 L944 G1001Y682-M999 HydrophobicContact CD1-CG 3.96Å; Y682-M999 HydrophobicContact CD1-SD 3.75Å; Y682-M999 HydrophobicContact CD2-CG 3.9Å; Y682-M999 HydrophobicContact CD2-SD 4.37Å; Y682-M999 HydrophobicContact CE1-CG 4.22Å; Y682-M999 HydrophobicContact CE1-SD 4.48Å; Y682-M999 HydrophobicContact CE2-CG 4.16Å; Y682-M999 HydrophobicContact CG-CG 3.83Å; Y682-M999 HydrophobicContact CG-SD 3.71Å; Y686-M999 HydrophobicContact CD1-CB 4.19Å; Y686-M999 HydrophobicContact CD1-CE 3.59Å; Y686-M999 HydrophobicContact CD1-CG 4.36Å; Y686-M999 HydrophobicContact CD1-SD 3.31Å; Y686-M999 WeakPolarHBondContact CD1-SD 3.32Å; Y686-M999 HydrophobicContact CD2-CE 3.33Å; Y686-M999 HydrophobicContact CD2-SD 4.02Å; Y686-M999 HydrophobicContact CE1-CB 3.86Å; Y686-M999 HydrophobicContact CE1-CE 3.64Å; Y686-M999 HydrophobicContact CE1-CG 4.42Å; Y686-M999 HydrophobicContact CE1-SD 3.79Å; Y686-M999 HydrophobicContact CE2-CE 3.36Å; Y686-M999 HydrophobicContact CE2-SD 4.41Å; Y686-M999 HydrophobicContact CG-CE 3.43Å; Y686-M999 VanDerWaalsContact CG-CE 3.43Å; Y686-M999 HydrophobicContact CG-SD 3.43Å; E936-M999 HydrophobicContact CB-CE 4.37Å; E936-M999 HydrophobicContact CG-CE 4.32Å; L939-M999 HydrophobicContact CB-CB 4.31Å; L939-M999 HydrophobicContact CB-CE 3.37Å; L939-M999 HydrophobicContact CB-CG 4.04Å; L939-M999 HydrophobicContact CD1-CE 3.65Å; L939-M999 HydrophobicContact CD1-CG 4.08Å; L939-M999 HydrophobicContact CD1-SD 4.3Å; L939-M999 HydrophobicContact CD2-CG 4.36Å; L939-M999 HydrophobicContact CG-CE 4.11Å; L939-M999 HydrophobicContact CG-CG 4.39Å; L944-M999 HydrophobicContact CD2-CG 4.44Å; M999-G1001 PolarHBondContact O-N 2.93Å; M999-G1001 VanDerWaalsContact O-N 3.11Å
1000N69.1Low69.5Low44 Ų4425.5 Ų25.524%0.23515%0.151CC..THydrogen-bonded Turntrans-79.319.2176.7-60.1-39.6000113.1P998 S1003 E1004P998-N1000 VanDerWaalsContact C-N 3.25Å; P998-N1000 PolarHBondContact O-N 3.33Å; P998-N1000 VanDerWaalsContact O-N 3.17Å; N1000-S1003 PolarHBondContact O-OG 2.78Å; N1000-E1004 HydrophobicContact CB-CB 4.29Å; N1000-E1004 VanDerWaalsContact CB-CD 3.41Å; N1000-E1004 HydrophobicContact CB-CG 3.92Å; N1000-E1004 WeakPolarHBondContact CB-OE2 3.26Å; N1000-E1004 VanDerWaalsContact ND2-CD 3.31Å; N1000-E1004 PolarHBondContact ND2-OE1 3.48Å; N1000-E1004 PolarHBondContact ND2-OE2 2.9Å
1001G74Confident69.2Low5 Ų529 Ų295%0.05218%0.176CC..G310 helixtrans75.7-167.8175.200000114.5D951 V997 P998 M999 S1003 E1004D951-G1001 WeakPolarHBondContact OD2-CA 3.31Å; V997-G1001 VanDerWaalsContact CG1-C 3.49Å; P998-G1001 WeakPolarHBondContact O-CA 3.02Å; P998-G1001 PolarHBondContact O-N 2.83Å; M999-G1001 PolarHBondContact O-N 2.93Å; M999-G1001 VanDerWaalsContact O-N 3.11Å; G1001-S1003 PolarHBondContact O-N 2.88Å; G1001-S1003 VanDerWaalsContact O-N 3.13Å; G1001-E1004 PolarHBondContact O-N 2.89Å
1002F85Confident68.7Low2 Ų231.9 Ų31.91%0.00919%0.19CC..G310 helixtrans-62.7-16.4177.3-79-95000113.3I947 D951 W952 N955 L988 V997 E1004 L1005 F1014I947-F1002 HydrophobicContact CG2-CE2 3.8Å; I947-F1002 HydrophobicContact CG2-CZ 3.78Å; D951-F1002 HydrophobicContact CB-CD2 4.49Å; D951-F1002 WeakPolarHBondContact OD2-CD2 3.5Å; D951-F1002 PolarHBondContact OD2-N 3.29Å; W952-F1002 HydrophobicContact CB-CD1 4.14Å; W952-F1002 HydrophobicContact CB-CD2 3.77Å; W952-F1002 HydrophobicContact CB-CE1 3.98Å; W952-F1002 HydrophobicContact CB-CE2 3.58Å; W952-F1002 HydrophobicContact CB-CG 4.06Å; W952-F1002 HydrophobicContact CB-CZ 3.7Å; W952-F1002 AromaticContact CD1-CD1 3.42Å; W952-F1002 VanDerWaalsContact CD1-CD1 3.42Å; W952-F1002 AromaticContact CD1-CE1 3.22Å; W952-F1002 AromaticContact CD1-CZ 3.8Å; W952-F1002 HydrophobicContact CD2-CD1 4.39Å; W952-F1002 AromaticContact CD2-CE1 3.5Å; W952-F1002 HydrophobicContact CD2-CE1 3.5Å; W952-F1002 HydrophobicContact CD2-CE2 4.12Å; W952-F1002 AromaticContact CD2-CZ 3.34Å; W952-F1002 HydrophobicContact CD2-CZ 3.34Å; W952-F1002 AromaticContact CE2-CE1 3.54Å; W952-F1002 AromaticContact CE2-CZ 3.81Å; W952-F1002 HydrophobicContact CE3-CE1 4.3Å; W952-F1002 HydrophobicContact CE3-CE2 4.39Å; W952-F1002 AromaticContact CE3-CZ 3.7Å; W952-F1002 HydrophobicContact CE3-CZ 3.7Å; W952-F1002 AromaticContact CG-CD1 3.74Å; W952-F1002 HydrophobicContact CG-CD1 3.74Å; W952-F1002 HydrophobicContact CG-CD2 4.2Å; W952-F1002 AromaticContact CG-CE1 3.31Å; W952-F1002 HydrophobicContact CG-CE1 3.31Å; W952-F1002 AromaticContact CG-CE2 3.8Å; W952-F1002 HydrophobicContact CG-CE2 3.8Å; W952-F1002 HydrophobicContact CG-CG 4.18Å; W952-F1002 AromaticContact CG-CZ 3.35Å; W952-F1002 HydrophobicContact CG-CZ 3.35Å; W952-F1002 HydrophobicContact CZ2-CE1 4.31Å; W952-F1002 HydrophobicContact CZ2-CZ 4.5Å; W952-F1002 HydrophobicContact CZ3-CZ 4.4Å; W952-F1002 AromaticContact NE1-CD1 3.93Å; W952-F1002 AromaticContact NE1-CE1 3.4Å; N955-F1002 HydrophobicContact CB-CB 3.57Å; L988-F1002 HydrophobicContact CD1-CE1 3.49Å; L988-F1002 VanDerWaalsContact CD1-CE1 3.49Å; L988-F1002 HydrophobicContact CD1-CZ 3.83Å; L988-F1002 HydrophobicContact CD2-CZ 4.43Å; V997-F1002 HydrophobicContact CB-CE2 4.34Å; V997-F1002 HydrophobicContact CG1-CD2 3.75Å; V997-F1002 HydrophobicContact CG1-CE2 3.87Å; V997-F1002 HydrophobicContact CG1-CG 4.22Å; V997-F1002 HydrophobicContact CG1-CZ 4.41Å; V997-F1002 HydrophobicContact CG2-CD2 4.2Å; V997-F1002 HydrophobicContact CG2-CE1 4.37Å; V997-F1002 HydrophobicContact CG2-CE2 3.45Å; V997-F1002 VanDerWaalsContact CG2-CE2 3.45Å; V997-F1002 HydrophobicContact CG2-CZ 3.54Å; F1002-E1004 PolarHBondContact O-N 2.89Å; F1002-L1005 HydrophobicContact CD1-CD1 3.63Å; F1002-L1005 HydrophobicContact CD1-CG 4.32Å; F1002-L1005 HydrophobicContact CE1-CD1 4.24Å; F1002-L1005 PolarHBondContact O-N 2.72Å; F1002-F1014 HydrophobicContact CD1-CB 4.49Å
1003S85.7Confident69.5Low51 Ų5135.5 Ų35.536%0.35721%0.205SC..G310 helixtrans-61.4-26.4174.980.20000113.5N955 N1000 G1001N955-S1003 WeakPolarHBondContact OD1-CA 3.38Å; N955-S1003 WeakPolarHBondContact OD1-CB 3.49Å; N1000-S1003 PolarHBondContact O-OG 2.78Å; G1001-S1003 PolarHBondContact O-N 2.88Å; G1001-S1003 VanDerWaalsContact O-N 3.13Å
1004E76.7Confident70.9Confident33 Ų3335.6 Ų35.615%0.15421%0.206CC..G310 helixtrans-117.532.3-178-66.2-169.5-179.700113.4K687 P998 N1000 G1001 F1002K687-E1004 VanDerWaalsContact CD-OE1 3.3Å; K687-E1004 WeakPolarHBondContact CD-OE1 3.25Å; K687-E1004 VanDerWaalsContact CE-OE1 3.23Å; K687-E1004 WeakPolarHBondContact CE-OE1 3.24Å; K687-E1004 IonicContact NZ-OE1 2.79Å; K687-E1004 PolarHBondContact NZ-OE1 3.44Å; P998-E1004 WeakPolarHBondContact CG-O 3.4Å; N1000-E1004 HydrophobicContact CB-CB 4.29Å; N1000-E1004 VanDerWaalsContact CB-CD 3.41Å; N1000-E1004 HydrophobicContact CB-CG 3.92Å; N1000-E1004 WeakPolarHBondContact CB-OE2 3.26Å; N1000-E1004 VanDerWaalsContact ND2-CD 3.31Å; N1000-E1004 PolarHBondContact ND2-OE1 3.48Å; N1000-E1004 PolarHBondContact ND2-OE2 2.9Å; G1001-E1004 PolarHBondContact O-N 2.89Å; F1002-E1004 PolarHBondContact O-N 2.89Å
1005L73.7Confident72.3Confident6 Ų634.9 Ų34.93%0.03120%0.202CC..  trans-60.5140.8164.7-77.4175.3000111T992 P998 F1002 P1011 Q1012 F1014T992-L1005 HydrophobicContact CG2-CD1 4.45Å; T992-L1005 HydrophobicContact CG2-CD2 4.48Å; P998-L1005 HydrophobicContact CG-CD2 4.46Å; F1002-L1005 HydrophobicContact CD1-CD1 3.63Å; F1002-L1005 HydrophobicContact CD1-CG 4.32Å; F1002-L1005 HydrophobicContact CE1-CD1 4.24Å; F1002-L1005 PolarHBondContact O-N 2.72Å; L1005-P1011 CarbonylContact O-C 3.57Å; L1005-P1011 WeakPolarHBondContact O-CA 3.41Å; L1005-Q1012 CarbonylContact C-O 3.42Å; L1005-Q1012 VanDerWaalsContact CB-O 3.29Å; L1005-Q1012 WeakPolarHBondContact CB-O 3.36Å; L1005-Q1012 CarbonylContact O-C 3.48Å; L1005-Q1012 PolarHBondContact O-N 2.96Å; L1005-F1014 HydrophobicContact CD1-CB 3.8Å
1006W67.8Low73.7Confident98 Ų9834.7 Ų34.737%0.37120%0.2SC..BIsolated β-bridgetrans-112137.1176.7-73.569.6000110.8R754 G1010 P1011 N1033R754-W1006 PolarHBondContact NH2-O 3.23Å; W1006-G1010 CarbonylContact C-O 3.54Å; W1006-G1010 WeakPolarHBondContact CA-O 3.46Å; W1006-P1011 HydrophobicContact CH2-CG 4.36Å; W1006-P1011 HydrophobicContact CZ2-CG 4.2Å; W1006-N1033 PolarHBondContact O-ND2 3.24Å
1007G61Low74.9Confident9 Ų935.6 Ų35.69%0.09321%0.205CC..  trans-94.8-158.1169.400000112G1010 C1031G1007-G1010 PolarHBondContact N-O 3.31Å; G1007-C1031 CarbonylContact C-O 3.57Å; G1007-C1031 WeakPolarHBondContact CA-O 3.3Å
1008S56.6Low75.8Confident35 Ų3537.2 Ų37.225%0.24522%0.216CC..SBendtrans-67.6-37.8168.841.30000113.4C1031S1008-C1031 VanDerWaalsContact CB-SG 3.54Å; S1008-C1031 PolarHBondContact N-O 3.08Å
1009S52Low76.9Confident121 Ų12139 Ų3985%0.84622%0.219SC*.SBendtrans-100.3-1.6-167.6-54.50000114.8
1010G63.8Low78.3Confident16 Ų1640.5 Ų40.517%0.16524%0.238CC..SBendtrans139.7-160.4-173.500000112.5W1006 G1007 Q1012W1006-G1010 CarbonylContact C-O 3.54Å; W1006-G1010 WeakPolarHBondContact CA-O 3.46Å; G1007-G1010 PolarHBondContact N-O 3.31Å; G1010-Q1012 PolarHBondContact O-N 3.18Å
1011P71.8Confident79.2Confident99 Ų9940.9 Ų40.964%0.64324%0.243SC*.BIsolated β-bridgetrans-56.2128.1171.5-24.535.4000111.8L1005 W1006L1005-P1011 CarbonylContact O-C 3.57Å; L1005-P1011 WeakPolarHBondContact O-CA 3.41Å; W1006-P1011 HydrophobicContact CH2-CG 4.36Å; W1006-P1011 HydrophobicContact CZ2-CG 4.2Å
1012Q72.7Confident79.9Confident61 Ų6143.2 Ų43.229%0.28526%0.257SS..  trans-151110-175.3173.355.668.300109.2L1005 G1010 F1032 N1033L1005-Q1012 CarbonylContact C-O 3.42Å; L1005-Q1012 VanDerWaalsContact CB-O 3.29Å; L1005-Q1012 WeakPolarHBondContact CB-O 3.36Å; L1005-Q1012 CarbonylContact O-C 3.48Å; L1005-Q1012 PolarHBondContact O-N 2.96Å; G1010-Q1012 PolarHBondContact O-N 3.18Å; Q1012-F1032 WeakPolarHBondContact CG-O 3.41Å; Q1012-N1033 PolarHBondContact O-ND2 3.14Å
1013K87.8Confident80Confident77 Ų7748.9 Ų48.934%0.33529%0.287SS..  trans-64.5153.9179.3-68.3-162.1179.5-159.10112.2N955 L957 T1015N955-K1013 PolarHBondContact OD1-NZ 2.88Å; L957-K1013 HydrophobicContact CD1-CB 4.01Å; L957-K1013 HydrophobicContact CD2-CD 4.5Å; L957-K1013 HydrophobicContact CG-CB 4.03Å; L957-K1013 HydrophobicContact CG-CD 4.39Å; K1013-T1015 PolarHBondContact O-N 2.81Å; K1013-T1015 PolarHBondContact O-OG1 2.73Å; K1013-T1015 VanDerWaalsContact O-OG1 3.08Å
1014F91.2Very high80.2Confident1 Ų149.9 Ų49.90%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-54.8133.2168.7-168.8-88.2000109.5W952 T956 L957 V991 T992 F1002 L1005 V1016 N1033W952-F1014 AromaticContact CD1-CG 3.97Å; W952-F1014 AromaticContact CE2-CE2 3.69Å; W952-F1014 AromaticContact CE2-CZ 3.82Å; W952-F1014 HydrophobicContact CZ2-CD2 4.23Å; W952-F1014 AromaticContact CZ2-CE2 3.5Å; W952-F1014 HydrophobicContact CZ2-CE2 3.5Å; W952-F1014 AromaticContact CZ2-CZ 3.69Å; W952-F1014 HydrophobicContact CZ2-CZ 3.69Å; W952-F1014 AromaticContact NE1-CD1 3.4Å; W952-F1014 AromaticContact NE1-CD2 3.27Å; W952-F1014 VanDerWaalsContact NE1-CD2 3.27Å; W952-F1014 AromaticContact NE1-CE1 3.44Å; W952-F1014 AromaticContact NE1-CE2 3.29Å; W952-F1014 VanDerWaalsContact NE1-CE2 3.29Å; W952-F1014 AromaticContact NE1-CG 3.32Å; W952-F1014 VanDerWaalsContact NE1-CG 3.32Å; W952-F1014 AromaticContact NE1-CZ 3.38Å; T956-F1014 CarbonylContact C-O 3.53Å; T956-F1014 WeakPolarHBondContact CA-O 3.4Å; T956-F1014 HydrophobicContact CG2-CD1 3.84Å; T956-F1014 HydrophobicContact CG2-CE1 4.47Å; T956-F1014 WeakPolarHBondContact OG1-CD1 3.39Å; L957-F1014 PolarHBondContact N-O 2.91Å; V991-F1014 HydrophobicContact CB-CD2 4.46Å; V991-F1014 HydrophobicContact CB-CE2 3.6Å; V991-F1014 HydrophobicContact CB-CZ 4.13Å; V991-F1014 HydrophobicContact CG1-CD2 3.86Å; V991-F1014 HydrophobicContact CG1-CE2 3.3Å; V991-F1014 HydrophobicContact CG1-CZ 3.77Å; V991-F1014 HydrophobicContact CG2-CE2 4.06Å; V991-F1014 HydrophobicContact CG2-CZ 4.11Å; T992-F1014 HydrophobicContact CG2-CD2 4.25Å; F1002-F1014 HydrophobicContact CD1-CB 4.49Å; L1005-F1014 HydrophobicContact CD1-CB 3.8Å; F1014-V1016 HydrophobicContact CD1-CG2 4.26Å; F1014-V1016 HydrophobicContact CE1-CG2 3.75Å; F1014-N1033 WeakPolarHBondContact CA-O 3.46Å
1015T93.6Very high80.7Confident2 Ų251.6 Ų51.61%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-132.5137.7-173.5-57.10000110.3L957 K959 K1013 N1033 R1034 L1035L957-T1015 HydrophobicContact CB-CG2 4.35Å; L957-T1015 CarbonylContact O-C 3.58Å; L957-T1015 WeakPolarHBondContact O-CA 3.34Å; K959-T1015 HydrophobicContact CD-CG2 3.78Å; K959-T1015 HydrophobicContact CG-CG2 3.94Å; K1013-T1015 PolarHBondContact O-N 2.81Å; K1013-T1015 PolarHBondContact O-OG1 2.73Å; K1013-T1015 VanDerWaalsContact O-OG1 3.08Å; T1015-N1033 PolarHBondContact N-O 3.4Å; T1015-R1034 HydrophobicContact CG2-CG 4.15Å; T1015-R1034 CarbonylContact O-C 3.58Å; T1015-R1034 VanDerWaalsContact O-CA 3.3Å; T1015-R1034 WeakPolarHBondContact O-CA 3.37Å; T1015-L1035 PolarHBondContact O-N 2.85Å
1016V96.6Very high81.5Confident0 Ų051.5 Ų51.50%030%0.296CS..EExtended strand (participates in β ladder)trans-118.2127.4172.2-170.30000109.5T956 L957 Y958 K959 Y962 I969 L972 F1014 L1035 L1037T956-V1016 HydrophobicContact CG2-CG2 3.96Å; L957-V1016 PolarHBondContact O-N 3.49Å; Y958-V1016 CarbonylContact C-O 3.57Å; Y958-V1016 WeakPolarHBondContact CA-O 3.25Å; Y958-V1016 HydrophobicContact CD1-CB 4.23Å; K959-V1016 PolarHBondContact N-O 2.77Å; Y962-V1016 HydrophobicContact CD2-CG1 4.07Å; Y962-V1016 HydrophobicContact CE2-CG1 4.32Å; I969-V1016 HydrophobicContact CD1-CB 4.16Å; I969-V1016 HydrophobicContact CD1-CG1 3.77Å; L972-V1016 HydrophobicContact CD2-CG1 4.15Å; L972-V1016 HydrophobicContact CD2-CG2 3.9Å; F1014-V1016 HydrophobicContact CD1-CG2 4.26Å; F1014-V1016 HydrophobicContact CE1-CG2 3.75Å; V1016-L1035 WeakPolarHBondContact CA-O 3.31Å; V1016-L1035 HydrophobicContact CG1-CD2 4.39Å; V1016-L1035 HydrophobicContact CG2-CB 4.49Å; V1016-L1035 HydrophobicContact CG2-CD2 4.49Å; V1016-L1037 HydrophobicContact CG1-CB 3.94Å; V1016-L1037 HydrophobicContact CG1-CD2 3.93Å
1017E94.5Very high82.3Confident43 Ų4348.8 Ų48.820%0.20129%0.286CS..EExtended strand (participates in β ladder)trans-123.3139.8-177.2-164.7163.4133.600110.6K959 W1019 R1034 L1035 L1037K959-E1017 HydrophobicContact CB-CB 3.97Å; K959-E1017 HydrophobicContact CB-CG 3.62Å; K959-E1017 WeakPolarHBondContact CD-OE2 3.31Å; E1017-W1019 PolarHBondContact O-N 2.81Å; E1017-R1034 HydrophobicContact CB-CG 4.32Å; E1017-R1034 IonicContact OE1-CZ 3.17Å; E1017-R1034 IonicContact OE1-NH1 2.82Å; E1017-R1034 PolarHBondContact OE1-NH1 3.43Å; E1017-R1034 IonicContact OE1-NH2 2.72Å; E1017-R1034 VanDerWaalsContact OE2-CD 3.31Å; E1017-R1034 WeakPolarHBondContact OE2-CD 3.34Å; E1017-R1034 IonicContact OE2-CZ 3.41Å; E1017-R1034 IonicContact OE2-NE 2.79Å; E1017-R1034 IonicContact OE2-NH1 3.57Å; E1017-R1034 PolarHBondContact OE2-NH1 2.79Å; E1017-L1035 PolarHBondContact N-O 2.89Å; E1017-L1037 PolarHBondContact O-N 3.43Å
1018C93Very high83.1Confident35 Ų3549.6 Ų49.624%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-72.6123.2174.6-170.30000109.7K959 Y962K959-C1018 PolarHBondContact O-N 2.79Å; Y962-C1018 HydrophobicContact CD1-CB 3.94Å; Y962-C1018 HydrophobicContact CD2-CB 3.88Å; Y962-C1018 HydrophobicContact CE1-CB 3.75Å; Y962-C1018 HydrophobicContact CE2-CB 3.68Å; Y962-C1018 HydrophobicContact CG-CB 4.01Å
1019W90.3Very high84Confident69 Ų6951.5 Ų51.526%0.26130%0.296SS..  trans-152.7142.3-177.8-18084.7000112.1E1017 Q1024 R1027 D1036 P1038E1017-W1019 PolarHBondContact O-N 2.81Å; W1019-Q1024 HydrophobicContact CZ3-CB 4.19Å; W1019-R1027 VanDerWaalsContact CE2-NH2 3.31Å; W1019-R1027 VanDerWaalsContact CZ2-CZ 3.42Å; W1019-R1027 HydrophobicContact CZ3-CG 4.1Å; W1019-D1036 HydrophobicContact CB-CB 3.96Å; W1019-D1036 HydrophobicContact CD2-CB 4.44Å; W1019-D1036 HydrophobicContact CE3-CB 4.4Å; W1019-D1036 HydrophobicContact CG-CB 4.24Å; W1019-P1038 WeakPolarHBondContact O-CA 3.38Å; W1019-P1038 WeakPolarHBondContact O-CG 3.45Å
1020G86.6Confident84.5Confident44 Ų4446 Ų4645%0.45426%0.257SS..SBendtrans79.9179.5167.500000116.1
1021S87.9Confident84.4Confident51 Ų5145.2 Ų45.236%0.35725%0.249SC..  trans-88.8161.4171.485.30000111.7D1023 Q1024 P1038S1021-D1023 WeakPolarHBondContact CB-OD2 3.34Å; S1021-D1023 PolarHBondContact O-N 2.89Å; S1021-D1023 VanDerWaalsContact O-N 3.11Å; S1021-D1023 WeakPolarHBondContact OG-CB 3.27Å; S1021-D1023 PolarHBondContact OG-N 2.85Å; S1021-D1023 PolarHBondContact OG-OD2 3.26Å; S1021-Q1024 PolarHBondContact O-N 2.87Å; S1021-Q1024 VanDerWaalsContact O-N 3.08Å; S1021-P1038 VanDerWaalsContact O-CB 3.3Å; S1021-P1038 WeakPolarHBondContact O-CB 3.48Å
1022V90.4Very high84.4Confident54 Ų5445.7 Ų45.733%0.32724%0.242SC..THydrogen-bonded Turntrans-62.2-16.1176.8-61.20000113.6Y1040 K1049V1022-Y1040 HydrophobicContact CB-CD1 4.3Å; V1022-Y1040 VanDerWaalsContact O-CE1 3.25Å; V1022-Y1040 WeakPolarHBondContact O-CE1 3.44Å; V1022-K1049 WeakPolarHBondContact O-CE 3.24Å; V1022-K1049 PolarHBondContact O-NZ 3.39Å
1023D87Confident84.8Confident122 Ų12242.8 Ų42.865%0.65223%0.228SC*.THydrogen-bonded Turntrans-73.6-32.1175.7-44.8-78.3000111.7S1021 K1049S1021-D1023 WeakPolarHBondContact CB-OD2 3.34Å; S1021-D1023 PolarHBondContact O-N 2.89Å; S1021-D1023 VanDerWaalsContact O-N 3.11Å; S1021-D1023 WeakPolarHBondContact OG-CB 3.27Å; S1021-D1023 PolarHBondContact OG-N 2.85Å; S1021-D1023 PolarHBondContact OG-OD2 3.26Å; D1023-K1049 VanDerWaalsContact C-NZ 3.28Å; D1023-K1049 PolarHBondContact O-NZ 2.71Å
1024Q88.2Confident84.8Confident71 Ų7141.3 Ų41.333%0.33222%0.22SC..SBendtrans-73162.4-176.8-63.6175.3-57.800111.9W1019 S1021 P1038 Y1040W1019-Q1024 HydrophobicContact CZ3-CB 4.19Å; S1021-Q1024 PolarHBondContact O-N 2.87Å; S1021-Q1024 VanDerWaalsContact O-N 3.08Å; Q1024-P1038 HydrophobicContact CB-CG 4.44Å; Q1024-Y1040 PolarHBondContact O-OH 3.21Å
1025L87.8Confident84.9Confident70 Ų7041.3 Ų41.337%0.36622%0.22SC..PPolyproline II helixtrans-89.4157.7170.6-72.1171.2000110.2K1049 I1052 A1053L1025-K1049 HydrophobicContact CD2-CB 4.12Å; L1025-K1049 HydrophobicContact CD2-CD 3.89Å; L1025-K1049 WeakPolarHBondContact CD2-O 3.44Å; L1025-I1052 HydrophobicContact CD1-CG2 4.03Å; L1025-I1052 HydrophobicContact CD2-CB 4.13Å; L1025-I1052 HydrophobicContact CD2-CG2 3.8Å; L1025-A1053 HydrophobicContact CB-CB 4.49Å
1026P90Very high84.8Confident4 Ų441.2 Ų41.23%0.02622%0.22CC..PPolyproline II helixtrans-62.6141170.5-18.533.6000110.2F990 L1035 D1036 L1037 Y1040 L1050F990-P1026 WeakPolarHBondContact CZ-O 3.5Å; P1026-L1035 HydrophobicContact CB-CD1 3.99Å; P1026-D1036 CarbonylContact C-O 3.59Å; P1026-D1036 WeakPolarHBondContact CA-O 3.41Å; P1026-L1037 HydrophobicContact CB-CD1 4.25Å; P1026-L1037 HydrophobicContact CG-CD1 3.99Å; P1026-Y1040 WeakPolarHBondContact CD-OH 3.37Å; P1026-Y1040 HydrophobicContact CG-CE2 4.1Å; P1026-L1050 HydrophobicContact CB-CD1 4.25Å; P1026-L1050 HydrophobicContact CG-CD1 4.05Å
1027R84.8Confident84.8Confident41 Ų4141.2 Ų41.216%0.15522%0.22CC..EExtended strand (participates in β ladder)trans-114.5167176.1-55.1-167-59.41618.5110.3W1019 D1036 V1063 D1064W1019-R1027 VanDerWaalsContact CE2-NH2 3.31Å; W1019-R1027 VanDerWaalsContact CZ2-CZ 3.42Å; W1019-R1027 HydrophobicContact CZ3-CG 4.1Å; R1027-D1036 HydrophobicContact CB-CB 4.12Å; R1027-D1036 PolarHBondContact N-O 3.07Å; R1027-D1036 PolarHBondContact O-N 3.38Å; R1027-V1063 WeakPolarHBondContact CD-O 3.4Å; R1027-V1063 PolarHBondContact NH1-O 3.24Å; R1027-D1064 IonicContact NH1-OD1 3.21Å; R1027-D1064 PolarHBondContact NH1-OD1 2.8Å; R1027-D1064 VanDerWaalsContact NH1-OD1 3.11Å
1028A79.2Confident84.8Confident25 Ų2539.1 Ų39.121%0.20721%0.21CC..EExtended strand (participates in β ladder)trans-141.1142.1-176.200000113.4F990 R1034F990-A1028 HydrophobicContact CD1-CB 4Å; F990-A1028 HydrophobicContact CD2-CB 4.22Å; F990-A1028 HydrophobicContact CE1-CB 3.8Å; F990-A1028 HydrophobicContact CE2-CB 4.04Å; F990-A1028 HydrophobicContact CG-CB 4.21Å; F990-A1028 HydrophobicContact CZ-CB 3.83Å; F990-A1028 WeakPolarHBondContact O-CB 3.31Å; A1028-R1034 WeakPolarHBondContact CA-O 3.5Å
1029H75.2Confident84.8Confident75 Ų7539.5 Ų39.535%0.34722%0.215SC..EExtended strand (participates in β ladder)trans-120.792176.2-55.9-93000109.8C1031 F1032 N1033 R1034 D1036H1029-C1031 VanDerWaalsContact C-N 3.31Å; H1029-C1031 PolarHBondContact O-N 2.9Å; H1029-F1032 HydrophobicContact CB-CD2 4.02Å; H1029-F1032 CarbonylContact O-C 3.59Å; H1029-F1032 PolarHBondContact O-N 3.26Å; H1029-N1033 PolarHBondContact O-N 2.73Å; H1029-N1033 VanDerWaalsContact O-N 3.08Å; H1029-R1034 HydrophobicContact CB-CB 4.32Å; H1029-R1034 PolarHBondContact N-O 3.21Å; H1029-R1034 PolarHBondContact NE2-NH2 3.31Å; H1029-R1034 VanDerWaalsContact NE2-NH2 3.19Å; H1029-R1034 PolarHBondContact O-N 2.82Å; H1029-D1036 IonicContact CD2-OD1 3.91Å; H1029-D1036 PolarHBondContact CD2-OD1 3.32Å; H1029-D1036 IonicContact CD2-OD2 3.01Å; H1029-D1036 PolarHBondContact CD2-OD2 2.85Å; H1029-D1036 IonicContact NE2-OD1 3.9Å; H1029-D1036 PolarHBondContact NE2-OD1 2.73Å; H1029-D1036 IonicContact NE2-OD2 3.17Å; H1029-D1036 PolarHBondContact NE2-OD2 2.7Å
1030T62.7Low85Confident5 Ų536.3 Ų36.33%0.03120%0.203CC..THydrogen-bonded Turntrans-72.5-16.1-16762.70000114.9G751 R754 F990 V991 F1032 N1033 F1060G751-T1030 WeakPolarHBondContact CA-OG1 3.17Å; R754-T1030 PolarHBondContact NH1-O 2.91Å; R754-T1030 PolarHBondContact NH2-O 3Å; F990-T1030 VanDerWaalsContact O-CG2 3.24Å; F990-T1030 WeakPolarHBondContact O-CG2 3.44Å; V991-T1030 WeakPolarHBondContact O-CA 3.49Å; T1030-F1032 VanDerWaalsContact C-N 3.35Å; T1030-N1033 PolarHBondContact O-OD1 3.32Å; T1030-F1060 HydrophobicContact CG2-CD1 4.11Å; T1030-F1060 HydrophobicContact CG2-CE1 3.31Å; T1030-F1060 HydrophobicContact CG2-CZ 3.76Å
1031C60.8Low85.1Confident1 Ų138.8 Ų38.81%0.00721%0.211CC..THydrogen-bonded Turntrans-75-21166.6-89.90000114.7D748 G750 G751 G1007 S1008 H1029D748-C1031 WeakPolarHBondContact OD1-CB 3.25Å; D748-C1031 PolarHBondContact OD1-SG 3.07Å; D748-C1031 WeakPolarHBondContact OD2-CB 3.26Å; D748-C1031 PolarHBondContact OD2-N 2.82Å; D748-C1031 PolarHBondContact OD2-SG 2.55Å; G750-C1031 WeakPolarHBondContact CA-SG 3.33Å; G750-C1031 PolarHBondContact N-SG 3.34Å; G751-C1031 PolarHBondContact N-SG 3.16Å; G1007-C1031 CarbonylContact C-O 3.57Å; G1007-C1031 WeakPolarHBondContact CA-O 3.3Å; S1008-C1031 VanDerWaalsContact CB-SG 3.54Å; S1008-C1031 PolarHBondContact N-O 3.08Å; H1029-C1031 VanDerWaalsContact C-N 3.31Å; H1029-C1031 PolarHBondContact O-N 2.9Å
1032F72.4Confident85.2Confident109 Ų10939.1 Ų39.148%0.47821%0.212SC..THydrogen-bonded Turntrans-1070.7177.1-54.3-62.1000113.2Q1012 H1029 T1030 R1034Q1012-F1032 WeakPolarHBondContact CG-O 3.41Å; H1029-F1032 HydrophobicContact CB-CD2 4.02Å; H1029-F1032 CarbonylContact O-C 3.59Å; H1029-F1032 PolarHBondContact O-N 3.26Å; T1030-F1032 VanDerWaalsContact C-N 3.35Å; F1032-R1034 HydrophobicContact CB-CB 4.2Å; F1032-R1034 PolarHBondContact O-N 2.71Å
1033N80.2Confident85.2Confident0 Ų037.5 Ų37.50%020%0.2CC..THydrogen-bonded Turntrans51.538.7-172.5-59-34.6000111.7V991 T992 W1006 Q1012 F1014 T1015 H1029 T1030V991-N1033 WeakPolarHBondContact O-CA 3.49Å; T992-N1033 WeakPolarHBondContact CB-OD1 3.41Å; T992-N1033 HydrophobicContact CG2-CB 4.08Å; W1006-N1033 PolarHBondContact O-ND2 3.24Å; Q1012-N1033 PolarHBondContact O-ND2 3.14Å; F1014-N1033 WeakPolarHBondContact CA-O 3.46Å; T1015-N1033 PolarHBondContact N-O 3.4Å; H1029-N1033 PolarHBondContact O-N 2.73Å; H1029-N1033 VanDerWaalsContact O-N 3.08Å; T1030-N1033 PolarHBondContact O-OD1 3.32Å
1034R88.6Confident85.3Confident46 Ų4637.8 Ų37.817%0.17420%0.198CC..EExtended strand (participates in β ladder)trans-106.5130.3-171.7-166.1178.890.2168.74.4112.1T1015 E1017 A1028 H1029 F1032 D1036T1015-R1034 HydrophobicContact CG2-CG 4.15Å; T1015-R1034 CarbonylContact O-C 3.58Å; T1015-R1034 VanDerWaalsContact O-CA 3.3Å; T1015-R1034 WeakPolarHBondContact O-CA 3.37Å; E1017-R1034 HydrophobicContact CB-CG 4.32Å; E1017-R1034 IonicContact OE1-CZ 3.17Å; E1017-R1034 IonicContact OE1-NH1 2.82Å; E1017-R1034 PolarHBondContact OE1-NH1 3.43Å; E1017-R1034 IonicContact OE1-NH2 2.72Å; E1017-R1034 VanDerWaalsContact OE2-CD 3.31Å; E1017-R1034 WeakPolarHBondContact OE2-CD 3.34Å; E1017-R1034 IonicContact OE2-CZ 3.41Å; E1017-R1034 IonicContact OE2-NE 2.79Å; E1017-R1034 IonicContact OE2-NH1 3.57Å; E1017-R1034 PolarHBondContact OE2-NH1 2.79Å; A1028-R1034 WeakPolarHBondContact CA-O 3.5Å; H1029-R1034 HydrophobicContact CB-CB 4.32Å; H1029-R1034 PolarHBondContact N-O 3.21Å; H1029-R1034 PolarHBondContact NE2-NH2 3.31Å; H1029-R1034 VanDerWaalsContact NE2-NH2 3.19Å; H1029-R1034 PolarHBondContact O-N 2.82Å; F1032-R1034 HydrophobicContact CB-CB 4.2Å; F1032-R1034 PolarHBondContact O-N 2.71Å; R1034-D1036 IonicContact CZ-OD1 3.54Å; R1034-D1036 IonicContact CZ-OD2 2.64Å; R1034-D1036 IonicContact NE-OD1 3.83Å; R1034-D1036 PolarHBondContact NE-OD1 2.91Å; R1034-D1036 IonicContact NH2-OD1 3.54Å; R1034-D1036 PolarHBondContact NH2-OD1 2.96Å; R1034-D1036 IonicContact NH2-OD2 3.15Å; R1034-D1036 PolarHBondContact NH2-OD2 2.88Å
1035L92.4Very high85.4Confident0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-100.1119.9167.8178.168.4000109.2L972 F990 V991 T1015 V1016 E1017 P1026 L1037 L1050L972-L1035 HydrophobicContact CD1-CD2 4.21Å; L972-L1035 HydrophobicContact CD2-CD2 4.37Å; F990-L1035 HydrophobicContact CD1-CD1 4.3Å; F990-L1035 HydrophobicContact CE1-CD1 3.94Å; V991-L1035 HydrophobicContact CG1-CB 4.08Å; V991-L1035 HydrophobicContact CG2-CB 3.88Å; V991-L1035 HydrophobicContact CG2-CD1 3.82Å; V991-L1035 HydrophobicContact CG2-CG 4.31Å; T1015-L1035 PolarHBondContact O-N 2.85Å; V1016-L1035 WeakPolarHBondContact CA-O 3.31Å; V1016-L1035 HydrophobicContact CG1-CD2 4.39Å; V1016-L1035 HydrophobicContact CG2-CB 4.49Å; V1016-L1035 HydrophobicContact CG2-CD2 4.49Å; E1017-L1035 PolarHBondContact N-O 2.89Å; P1026-L1035 HydrophobicContact CB-CD1 3.99Å; L1035-L1037 HydrophobicContact CD2-CB 4.45Å; L1035-L1037 HydrophobicContact CG-CB 4.29Å; L1035-L1050 HydrophobicContact CD1-CD1 4.4Å
1036D93.1Very high85.7Confident0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-90.3108.6172.6-70.218.7000107W1019 P1026 R1027 H1029 R1034W1019-D1036 HydrophobicContact CB-CB 3.96Å; W1019-D1036 HydrophobicContact CD2-CB 4.44Å; W1019-D1036 HydrophobicContact CE3-CB 4.4Å; W1019-D1036 HydrophobicContact CG-CB 4.24Å; P1026-D1036 CarbonylContact C-O 3.59Å; P1026-D1036 WeakPolarHBondContact CA-O 3.41Å; R1027-D1036 HydrophobicContact CB-CB 4.12Å; R1027-D1036 PolarHBondContact N-O 3.07Å; R1027-D1036 PolarHBondContact O-N 3.38Å; H1029-D1036 IonicContact CD2-OD1 3.91Å; H1029-D1036 PolarHBondContact CD2-OD1 3.32Å; H1029-D1036 IonicContact CD2-OD2 3.01Å; H1029-D1036 PolarHBondContact CD2-OD2 2.85Å; H1029-D1036 IonicContact NE2-OD1 3.9Å; H1029-D1036 PolarHBondContact NE2-OD1 2.73Å; H1029-D1036 IonicContact NE2-OD2 3.17Å; H1029-D1036 PolarHBondContact NE2-OD2 2.7Å; R1034-D1036 IonicContact CZ-OD1 3.54Å; R1034-D1036 IonicContact CZ-OD2 2.64Å; R1034-D1036 IonicContact NE-OD1 3.83Å; R1034-D1036 PolarHBondContact NE-OD1 2.91Å; R1034-D1036 IonicContact NH2-OD1 3.54Å; R1034-D1036 PolarHBondContact NH2-OD1 2.96Å; R1034-D1036 IonicContact NH2-OD2 3.15Å; R1034-D1036 PolarHBondContact NH2-OD2 2.88Å
1037L94.9Very high85.7Confident0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-120.7114.3-168.2178.665.4000110.7Y962 V968 L972 V1016 E1017 P1026 L1035 Y1040Y962-L1037 HydrophobicContact CE2-CB 4.12Å; Y962-L1037 HydrophobicContact CE2-CD2 4.44Å; Y962-L1037 HydrophobicContact CE2-CG 4.42Å; Y962-L1037 VanDerWaalsContact CE2-O 3.3Å; Y962-L1037 WeakPolarHBondContact CE2-O 3.45Å; Y962-L1037 PolarHBondContact OH-O 2.84Å; V968-L1037 HydrophobicContact CG1-CD2 3.95Å; V968-L1037 HydrophobicContact CG1-CG 4.22Å; L972-L1037 HydrophobicContact CB-CD2 4.24Å; L972-L1037 HydrophobicContact CD1-CD2 4.14Å; L972-L1037 HydrophobicContact CD2-CD2 3.94Å; L972-L1037 HydrophobicContact CG-CD2 4.33Å; V1016-L1037 HydrophobicContact CG1-CB 3.94Å; V1016-L1037 HydrophobicContact CG1-CD2 3.93Å; E1017-L1037 PolarHBondContact O-N 3.43Å; P1026-L1037 HydrophobicContact CB-CD1 4.25Å; P1026-L1037 HydrophobicContact CG-CD1 3.99Å; L1035-L1037 HydrophobicContact CD2-CB 4.45Å; L1035-L1037 HydrophobicContact CG-CB 4.29Å; L1037-Y1040 HydrophobicContact CD1-CD2 4.19Å; L1037-Y1040 HydrophobicContact CD1-CE2 3.82Å
1038P94.4Very high85.8Confident0 Ų034.8 Ų34.80%019%0.186CC..  trans-61.8154.6172.5-24.834.1000114Y962 W1019 S1021 Q1024 Y1040Y962-P1038 VanDerWaalsContact OH-C 3.32Å; Y962-P1038 PolarHBondContact OH-O 2.89Å; W1019-P1038 WeakPolarHBondContact O-CA 3.38Å; W1019-P1038 WeakPolarHBondContact O-CG 3.45Å; S1021-P1038 VanDerWaalsContact O-CB 3.3Å; S1021-P1038 WeakPolarHBondContact O-CB 3.48Å; Q1024-P1038 HydrophobicContact CB-CG 4.44Å; P1038-Y1040 HydrophobicContact CB-CD1 4.45Å; P1038-Y1040 HydrophobicContact CB-CE1 3.92Å; P1038-Y1040 HydrophobicContact CB-CE2 4.06Å; P1038-Y1040 HydrophobicContact CG-CE1 4.35Å; P1038-Y1040 HydrophobicContact CG-CE2 4.28Å; P1038-Y1040 WeakPolarHBondContact CG-OH 3.29Å; P1038-Y1040 VanDerWaalsContact O-CD2 3.26Å; P1038-Y1040 WeakPolarHBondContact O-CD2 3.48Å; P1038-Y1040 PolarHBondContact O-N 3.1Å
1039A93.8Very high86.3Confident42 Ų4235.7 Ų35.735%0.34719%0.185SC..  trans-80.353-172.400000113.4Y962 V968Y962-A1039 WeakPolarHBondContact OH-CA 3.28Å; Y962-A1039 PolarHBondContact OH-N 3.02Å; V968-A1039 HydrophobicContact CG2-CB 4.31Å
1040Y94.1Very high87Confident2 Ų232.1 Ų32.11%0.00817%0.169CC..  trans-55131.1-174.8-55-68.6000112.4V1022 Q1024 P1026 L1037 P1038 T1042 E1045 L1046 K1049V1022-Y1040 HydrophobicContact CB-CD1 4.3Å; V1022-Y1040 VanDerWaalsContact O-CE1 3.25Å; V1022-Y1040 WeakPolarHBondContact O-CE1 3.44Å; Q1024-Y1040 PolarHBondContact O-OH 3.21Å; P1026-Y1040 WeakPolarHBondContact CD-OH 3.37Å; P1026-Y1040 HydrophobicContact CG-CE2 4.1Å; L1037-Y1040 HydrophobicContact CD1-CD2 4.19Å; L1037-Y1040 HydrophobicContact CD1-CE2 3.82Å; P1038-Y1040 HydrophobicContact CB-CD1 4.45Å; P1038-Y1040 HydrophobicContact CB-CE1 3.92Å; P1038-Y1040 HydrophobicContact CB-CE2 4.06Å; P1038-Y1040 HydrophobicContact CG-CE1 4.35Å; P1038-Y1040 HydrophobicContact CG-CE2 4.28Å; P1038-Y1040 WeakPolarHBondContact CG-OH 3.29Å; P1038-Y1040 VanDerWaalsContact O-CD2 3.26Å; P1038-Y1040 WeakPolarHBondContact O-CD2 3.48Å; P1038-Y1040 PolarHBondContact O-N 3.1Å; Y1040-T1042 PolarHBondContact O-N 3.46Å; Y1040-E1045 HydrophobicContact CD1-CG 3.98Å; Y1040-E1045 HydrophobicContact CG-CG 4.42Å; Y1040-L1046 HydrophobicContact CD2-CB 3.91Å; Y1040-L1046 HydrophobicContact CD2-CD1 4.43Å; Y1040-L1046 HydrophobicContact CD2-CG 3.94Å; Y1040-L1046 HydrophobicContact CG-CB 4.3Å; Y1040-K1049 HydrophobicContact CD1-CG 4.19Å; Y1040-K1049 HydrophobicContact CE1-CB 4.02Å; Y1040-K1049 HydrophobicContact CE1-CD 3.79Å; Y1040-K1049 HydrophobicContact CE1-CG 3.62Å; Y1040-K1049 HydrophobicContact CE2-CB 4.06Å; Y1040-K1049 HydrophobicContact CE2-CG 4.5Å
1041P88.5Confident87.8Confident96 Ų9632 Ų3262%0.62317%0.168SC*.SBendtrans-70.9-26.4-174.626.9-36.1000114.1E1045P1041-E1045 VanDerWaalsContact CD-OE2 3.24Å; P1041-E1045 WeakPolarHBondContact CD-OE2 3.31Å; P1041-E1045 VanDerWaalsContact CG-OE2 3.31Å; P1041-E1045 WeakPolarHBondContact CG-OE2 3.5Å
1042T90.7Very high88.6Confident59 Ų5934.2 Ų34.236%0.36218%0.179SC..SBendtrans-117.9160.4-174.9690000113.2Y1040 E1045 L1046Y1040-T1042 PolarHBondContact O-N 3.46Å; T1042-E1045 WeakPolarHBondContact OG1-CB 3.49Å; T1042-E1045 PolarHBondContact OG1-N 3.36Å; T1042-E1045 VanDerWaalsContact OG1-N 3.16Å; T1042-L1046 WeakPolarHBondContact O-CB 3.49Å; T1042-L1046 PolarHBondContact O-N 3.35Å
1043F90.2Very high89Confident20 Ų2029.5 Ų29.59%0.08816%0.16CC..Hα-helixtrans-71.1-41175.4163.2-107.9000111M635 N971 K974 A975 T978 R1047M635-F1043 HydrophobicContact CE-CD1 3.87Å; M635-F1043 HydrophobicContact CE-CD2 3.85Å; M635-F1043 HydrophobicContact CE-CE1 3.61Å; M635-F1043 HydrophobicContact CE-CE2 3.58Å; M635-F1043 HydrophobicContact CE-CG 4Å; M635-F1043 HydrophobicContact CE-CZ 3.45Å; M635-F1043 VanDerWaalsContact CE-CZ 3.45Å; M635-F1043 HydrophobicContact CG-CE1 4.31Å; M635-F1043 HydrophobicContact SD-CD1 4.39Å; M635-F1043 HydrophobicContact SD-CE1 4.23Å; N971-F1043 HydrophobicContact CB-CB 4.48Å; N971-F1043 HydrophobicContact CB-CD2 4.41Å; K974-F1043 HydrophobicContact CB-CD2 4.07Å; K974-F1043 HydrophobicContact CB-CE2 3.8Å; A975-F1043 HydrophobicContact CB-CE2 3.98Å; T978-F1043 HydrophobicContact CG2-CZ 4.39Å; F1043-R1047 WeakPolarHBondContact O-CB 3.46Å; F1043-R1047 PolarHBondContact O-N 2.77Å
1044E89.5Confident88.8Confident128 Ų12830 Ų3060%0.59816%0.163SC*.Hα-helixtrans-61.4-47.6-179.1-69.266-152.800111.3R1047 C1048E1044-R1047 PolarHBondContact O-N 3.16Å; E1044-C1048 WeakPolarHBondContact O-CB 3.36Å; E1044-C1048 PolarHBondContact O-N 2.88Å
1045E91.1Very high87.7Confident53 Ų5329.3 Ų29.325%0.24816%0.162CC..Hα-helixtrans-66.8-49178.7-176.7-179.7-177.100111.9Y1040 P1041 T1042 R1047 C1048 K1049Y1040-E1045 HydrophobicContact CD1-CG 3.98Å; Y1040-E1045 HydrophobicContact CG-CG 4.42Å; P1041-E1045 VanDerWaalsContact CD-OE2 3.24Å; P1041-E1045 WeakPolarHBondContact CD-OE2 3.31Å; P1041-E1045 VanDerWaalsContact CG-OE2 3.31Å; P1041-E1045 WeakPolarHBondContact CG-OE2 3.5Å; T1042-E1045 WeakPolarHBondContact OG1-CB 3.49Å; T1042-E1045 PolarHBondContact OG1-N 3.36Å; T1042-E1045 VanDerWaalsContact OG1-N 3.16Å; E1045-R1047 VanDerWaalsContact C-N 3.28Å; E1045-R1047 PolarHBondContact O-N 3.26Å; E1045-C1048 PolarHBondContact O-N 2.91Å; E1045-K1049 HydrophobicContact CG-CG 4.2Å; E1045-K1049 WeakPolarHBondContact O-CB 3.27Å; E1045-K1049 WeakPolarHBondContact O-CG 3.43Å; E1045-K1049 PolarHBondContact O-N 3.08Å
1046L94.2Very high86.2Confident0 Ų035.1 Ų35.10%019%0.193CC..Hα-helixtrans-53.5-49.6174.7-175.3156.3000110.5V968 N971 L972 A975 Y1040 T1042 C1048 L1050V968-L1046 HydrophobicContact CG1-CD1 3.72Å; V968-L1046 WeakPolarHBondContact O-CD1 3.34Å; N971-L1046 HydrophobicContact CB-CD1 3.97Å; L972-L1046 HydrophobicContact CB-CD1 4.45Å; L972-L1046 HydrophobicContact CB-CD2 4.46Å; L972-L1046 HydrophobicContact CD1-CD2 4.35Å; A975-L1046 HydrophobicContact CB-CD2 4.22Å; Y1040-L1046 HydrophobicContact CD2-CB 3.91Å; Y1040-L1046 HydrophobicContact CD2-CD1 4.43Å; Y1040-L1046 HydrophobicContact CD2-CG 3.94Å; Y1040-L1046 HydrophobicContact CG-CB 4.3Å; T1042-L1046 WeakPolarHBondContact O-CB 3.49Å; T1042-L1046 PolarHBondContact O-N 3.35Å; L1046-C1048 PolarHBondContact O-N 2.9Å; L1046-L1050 HydrophobicContact CD2-CD2 4.32Å; L1046-L1050 WeakPolarHBondContact O-CB 3.38Å; L1046-L1050 PolarHBondContact O-N 2.79Å
1047R89.4Confident84.4Confident26 Ų2636.5 Ų36.510%0.09820%0.204CC..Hα-helixtrans-64.4-39.7-178.9-173.1176.1-171.3-94.37.1112A630 A975 T978 F979 F1043 E1044 E1045 I1051A630-R1047 PolarHBondContact O-NH1 3.15Å; A630-R1047 PolarHBondContact O-NH2 3.49Å; A975-R1047 HydrophobicContact CB-CB 4.27Å; A975-R1047 HydrophobicContact CB-CG 4.19Å; T978-R1047 PolarHBondContact OG1-NE 2.86Å; T978-R1047 PolarHBondContact OG1-NH2 2.95Å; F979-R1047 HydrophobicContact CE1-CG 4.06Å; F1043-R1047 WeakPolarHBondContact O-CB 3.46Å; F1043-R1047 PolarHBondContact O-N 2.77Å; E1044-R1047 PolarHBondContact O-N 3.16Å; E1045-R1047 VanDerWaalsContact C-N 3.28Å; E1045-R1047 PolarHBondContact O-N 3.26Å; R1047-I1051 HydrophobicContact CG-CD1 4.1Å; R1047-I1051 WeakPolarHBondContact O-CB 3.29Å; R1047-I1051 WeakPolarHBondContact O-CD1 3.49Å; R1047-I1051 VanDerWaalsContact O-CG1 3.23Å; R1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; R1047-I1051 PolarHBondContact O-N 2.7Å
1048C86.6Confident82Confident44 Ų4445 Ų4530%0.29724%0.244SC..Hα-helixtrans-67-54.3177.7-172.20000111.3E1044 E1045 L1046 L1050 I1051 I1052E1044-C1048 WeakPolarHBondContact O-CB 3.36Å; E1044-C1048 PolarHBondContact O-N 2.88Å; E1045-C1048 PolarHBondContact O-N 2.91Å; L1046-C1048 PolarHBondContact O-N 2.9Å; C1048-L1050 VanDerWaalsContact C-N 3.29Å; C1048-L1050 PolarHBondContact O-N 2.89Å; C1048-I1051 PolarHBondContact O-N 3.33Å; C1048-I1052 VanDerWaalsContact O-CG1 3.29Å; C1048-I1052 WeakPolarHBondContact O-CG1 3.25Å; C1048-I1052 PolarHBondContact O-N 3.03Å
1049K90.6Very high79.4Confident43 Ų4346.2 Ų46.219%0.18726%0.256CS..Hα-helixtrans-58.2-40.5178.2-64.3-94.1-167163.50111.7V1022 D1023 L1025 Y1040 E1045 I1052 A1053V1022-K1049 WeakPolarHBondContact O-CE 3.24Å; V1022-K1049 PolarHBondContact O-NZ 3.39Å; D1023-K1049 VanDerWaalsContact C-NZ 3.28Å; D1023-K1049 PolarHBondContact O-NZ 2.71Å; L1025-K1049 HydrophobicContact CD2-CB 4.12Å; L1025-K1049 HydrophobicContact CD2-CD 3.89Å; L1025-K1049 WeakPolarHBondContact CD2-O 3.44Å; Y1040-K1049 HydrophobicContact CD1-CG 4.19Å; Y1040-K1049 HydrophobicContact CE1-CB 4.02Å; Y1040-K1049 HydrophobicContact CE1-CD 3.79Å; Y1040-K1049 HydrophobicContact CE1-CG 3.62Å; Y1040-K1049 HydrophobicContact CE2-CB 4.06Å; Y1040-K1049 HydrophobicContact CE2-CG 4.5Å; E1045-K1049 HydrophobicContact CG-CG 4.2Å; E1045-K1049 WeakPolarHBondContact O-CB 3.27Å; E1045-K1049 WeakPolarHBondContact O-CG 3.43Å; E1045-K1049 PolarHBondContact O-N 3.08Å; K1049-I1052 PolarHBondContact O-N 3.19Å; K1049-A1053 PolarHBondContact O-N 2.9Å
1050L88.7Confident77.1Confident0 Ų046.5 Ų46.50%025%0.25CC..Hα-helixtrans-66.9-44.4177-171.464.7000112.1L972 F979 L987 P1026 L1035 L1046 C1048 I1052 A1053 I1054L972-L1050 HydrophobicContact CD1-CD2 3.71Å; F979-L1050 HydrophobicContact CE2-CD2 4.09Å; F979-L1050 HydrophobicContact CZ-CD2 4.1Å; L987-L1050 HydrophobicContact CD1-CD1 3.98Å; L987-L1050 HydrophobicContact CD2-CD2 4.42Å; P1026-L1050 HydrophobicContact CB-CD1 4.25Å; P1026-L1050 HydrophobicContact CG-CD1 4.05Å; L1035-L1050 HydrophobicContact CD1-CD1 4.4Å; L1046-L1050 HydrophobicContact CD2-CD2 4.32Å; L1046-L1050 WeakPolarHBondContact O-CB 3.38Å; L1046-L1050 PolarHBondContact O-N 2.79Å; C1048-L1050 VanDerWaalsContact C-N 3.29Å; C1048-L1050 PolarHBondContact O-N 2.89Å; L1050-I1052 VanDerWaalsContact C-N 3.34Å; L1050-I1052 PolarHBondContact O-N 2.73Å; L1050-A1053 PolarHBondContact O-N 3.3Å; L1050-I1054 HydrophobicContact CD1-CD1 4.44Å; L1050-I1054 HydrophobicContact CG-CD1 3.96Å; L1050-I1054 VanDerWaalsContact O-CD1 3.27Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.42Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.2Å; L1050-I1054 PolarHBondContact O-N 2.72Å
1051I80Confident74.5Confident4 Ų453.1 Ų53.12%0.02128%0.281CS..Hα-helixtrans-61.9-43.2174.2-70.1166.6000110.7T627 A630 F979 R1047 C1048 A1053 I1054 E1055T627-I1051 HydrophobicContact CG2-CG2 4.21Å; A630-I1051 HydrophobicContact CB-CD1 3.87Å; F979-I1051 HydrophobicContact CE1-CD1 3.94Å; F979-I1051 HydrophobicContact CE1-CG1 3.88Å; F979-I1051 HydrophobicContact CZ-CD1 4.37Å; F979-I1051 HydrophobicContact CZ-CG1 3.81Å; R1047-I1051 HydrophobicContact CG-CD1 4.1Å; R1047-I1051 WeakPolarHBondContact O-CB 3.29Å; R1047-I1051 WeakPolarHBondContact O-CD1 3.49Å; R1047-I1051 VanDerWaalsContact O-CG1 3.23Å; R1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; R1047-I1051 PolarHBondContact O-N 2.7Å; C1048-I1051 PolarHBondContact O-N 3.33Å; I1051-A1053 PolarHBondContact O-N 2.9Å; I1051-I1054 PolarHBondContact O-N 3.26Å; I1051-E1055 HydrophobicContact CG2-CG 4.04Å; I1051-E1055 WeakPolarHBondContact CG2-OE1 3.37Å; I1051-E1055 WeakPolarHBondContact O-CB 3.27Å; I1051-E1055 WeakPolarHBondContact O-CG 3.49Å; I1051-E1055 PolarHBondContact O-N 2.98Å
1052I78Confident71.6Confident47 Ų4752 Ų5224%0.24129%0.286CS..Hα-helixtrans-60.1-44.5178.4-70.2165.7000111.4L1025 C1048 K1049 L1050 E1055 N1056L1025-I1052 HydrophobicContact CD1-CG2 4.03Å; L1025-I1052 HydrophobicContact CD2-CB 4.13Å; L1025-I1052 HydrophobicContact CD2-CG2 3.8Å; C1048-I1052 VanDerWaalsContact O-CG1 3.29Å; C1048-I1052 WeakPolarHBondContact O-CG1 3.25Å; C1048-I1052 PolarHBondContact O-N 3.03Å; K1049-I1052 PolarHBondContact O-N 3.19Å; L1050-I1052 VanDerWaalsContact C-N 3.34Å; L1050-I1052 PolarHBondContact O-N 2.73Å; I1052-E1055 PolarHBondContact O-N 3.36Å; I1052-N1056 WeakPolarHBondContact O-CB 3.43Å; I1052-N1056 PolarHBondContact O-N 3.26Å; I1052-N1056 VanDerWaalsContact O-N 3.08Å; I1052-N1056 PolarHBondContact O-ND2 2.93Å
1053A80.2Confident68.7Low9 Ų954.2 Ų54.27%0.07430%0.3CS..Hα-helixtrans-64.7-40.517600000112.5F990 L1025 K1049 L1050 I1051 A1057F990-A1053 HydrophobicContact CE1-CB 4.28Å; F990-A1053 HydrophobicContact CZ-CB 4.04Å; L1025-A1053 HydrophobicContact CB-CB 4.49Å; K1049-A1053 PolarHBondContact O-N 2.9Å; L1050-A1053 PolarHBondContact O-N 3.3Å; I1051-A1053 PolarHBondContact O-N 2.9Å; A1053-A1057 WeakPolarHBondContact O-CB 3.44Å; A1053-A1057 PolarHBondContact O-N 3.28Å
1054I75.9Confident65.8Low11 Ų1162.1 Ų62.16%0.05634%0.343CS..Hα-helixtrans-67.1-39.5176.9-64.5160.1000112F979 R986 L987 L1050 I1051F979-I1054 HydrophobicContact CE2-CD1 4Å; R986-I1054 HydrophobicContact CB-CG2 3.3Å; R986-I1054 HydrophobicContact CG-CG2 4.43Å; L987-I1054 HydrophobicContact CB-CD1 3.73Å; L987-I1054 HydrophobicContact CB-CG1 4.27Å; L987-I1054 HydrophobicContact CD1-CD1 3.98Å; L987-I1054 HydrophobicContact CD1-CG1 4.2Å; L987-I1054 HydrophobicContact CG-CD1 4.33Å; L1050-I1054 HydrophobicContact CD1-CD1 4.44Å; L1050-I1054 HydrophobicContact CG-CD1 3.96Å; L1050-I1054 VanDerWaalsContact O-CD1 3.27Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.42Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.2Å; L1050-I1054 PolarHBondContact O-N 2.72Å; I1051-I1054 PolarHBondContact O-N 3.26Å
1055E65.5Low64.6Low32 Ų3258.9 Ų58.915%0.1533%0.33CS..Hα-helixtrans-74.4-29.3-178.3-75-176.5176.300112.7S624 L626 T627 I1051 I1052S624-E1055 WeakPolarHBondContact CB-OE2 3.44Å; L626-E1055 WeakPolarHBondContact CB-OE1 3.25Å; T627-E1055 PolarHBondContact N-OE1 2.99Å; T627-E1055 PolarHBondContact OG1-OE1 3.04Å; T627-E1055 PolarHBondContact OG1-OE2 3.44Å; I1051-E1055 HydrophobicContact CG2-CG 4.04Å; I1051-E1055 WeakPolarHBondContact CG2-OE1 3.37Å; I1051-E1055 WeakPolarHBondContact O-CB 3.27Å; I1051-E1055 WeakPolarHBondContact O-CG 3.49Å; I1051-E1055 PolarHBondContact O-N 2.98Å; I1052-E1055 PolarHBondContact O-N 3.36Å
1056N61.3Low63.2Low121 Ų12159.2 Ų59.265%0.64734%0.335SS*.SBendtrans-95.50.8-178.3-67.2-26.2000114.8I1052 E1058I1052-N1056 WeakPolarHBondContact O-CB 3.43Å; I1052-N1056 PolarHBondContact O-N 3.26Å; I1052-N1056 VanDerWaalsContact O-N 3.08Å; I1052-N1056 PolarHBondContact O-ND2 2.93Å; N1056-E1058 PolarHBondContact O-N 3.43Å
1057A55.1Low61.5Low29 Ų2962.4 Ų62.424%0.2435%0.353CS..  trans-76.541.6-174.900000114.8F990 A1053 G1059F990-A1057 HydrophobicContact CD2-CB 3.56Å; F990-A1057 HydrophobicContact CE2-CB 4.01Å; A1053-A1057 WeakPolarHBondContact O-CB 3.44Å; A1053-A1057 PolarHBondContact O-N 3.28Å; A1057-G1059 PolarHBondContact O-N 2.87Å
1058E45.2Very low59.8Low179 Ų17964.6 Ų64.684%0.83637%0.368SS*.SBendtrans-81.745178.1-62.1-158.6148.800113N1056N1056-E1058 PolarHBondContact O-N 3.43Å
1059G39.3Very low58.2Low25 Ų2565.9 Ų65.926%0.25837%0.373SS..SBendtrans161.4142.8174.900000112.4A1057 E1061A1057-G1059 PolarHBondContact O-N 2.87Å; G1059-E1061 PolarHBondContact O-N 3.07Å; G1059-E1061 VanDerWaalsContact O-N 3.16Å
1060F44.4Very low56Low48 Ų4867.4 Ų67.421%0.21139%0.385CS..  trans-87.552.4174.3-72.1-72.3000112.1E755 T1030 G1062E755-F1060 HydrophobicContact CB-CD2 4.16Å; E755-F1060 HydrophobicContact CB-CE2 3.82Å; E755-F1060 VanDerWaalsContact CD-CD2 3.42Å; E755-F1060 HydrophobicContact CG-CD2 4.24Å; E755-F1060 HydrophobicContact CG-CE2 3.93Å; E755-F1060 WeakPolarHBondContact OE2-CD2 3.32Å; T1030-F1060 HydrophobicContact CG2-CD1 4.11Å; T1030-F1060 HydrophobicContact CG2-CE1 3.31Å; T1030-F1060 HydrophobicContact CG2-CZ 3.76Å; F1060-G1062 PolarHBondContact O-N 3.07Å
1061E39.6Very low53.7Low141 Ų14172.2 Ų72.266%0.65941%0.413SS*.  trans-71.7123.4159.9-66.2-155.5123.100108.7G1059 V1063G1059-E1061 PolarHBondContact O-N 3.07Å; G1059-E1061 VanDerWaalsContact O-N 3.16Å; E1061-V1063 PolarHBondContact O-N 3.29Å
1062G29.1Very low51.6Low72 Ų7277.5 Ų77.574%0.74244%0.443SS*.  trans-69.296.1169.500000109F1060 D1064F1060-G1062 PolarHBondContact O-N 3.07Å; G1062-D1064 PolarHBondContact O-N 3.13Å
1063V29.6Very low49.4Very low106 Ų10680 Ų8064%0.64246%0.46SS*.  trans-7687.2-179.8-167.20000109.6R1027 E1061R1027-V1063 WeakPolarHBondContact CD-O 3.4Å; R1027-V1063 PolarHBondContact NH1-O 3.24Å; E1061-V1063 PolarHBondContact O-N 3.29Å
1064D28.2Very low46.7Very low187 Ų18786.5 Ų86.5100%150%0.495SS*.  trans-700161.3-75.8-29.2000111.6R1027 G1062R1027-D1064 IonicContact NH1-OD1 3.21Å; R1027-D1064 PolarHBondContact NH1-OD1 2.8Å; R1027-D1064 VanDerWaalsContact NH1-OD1 3.11Å; G1062-D1064 PolarHBondContact O-N 3.13Å

Retrieved 1,064 of 1,064 residues in 355 ms (Link to these results)

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