G4VF75_SCHMA Loading...

T-complex protein 1 subunit epsilon

AlphaFold DB , UniProt , Accession G4VF75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 545 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
1M35.2Very low44.1Very low242 Ų242132.3 Ų132.3100%1.19274%0.737SS**  0108.30-81.4176.9176.900107.3T3M1-T3 PolarHBondContact O-N 3.49Å
2A34.1Very low46.2Very low95 Ų95130.1 Ų130.179%0.78572%0.722SS**  trans-75.9116.2-173.200000110.8
3T36.1Very low48.5Very low135 Ų135121.9 Ų121.983%0.82868%0.681SS**  trans-88.7109.5171.344.80000109.2M1M1-T3 PolarHBondContact O-N 3.49Å
4F37.3Very low51Low200 Ų200122.4 Ų122.488%0.87767%0.673SS**  trans-66.8128.7168.6-81.8-95000110.3
5P37.2Very low53.2Low127 Ų127117.9 Ų117.983%0.82565%0.648SS**  trans-91.1132.2169.133.9-26.3000109.8
6G42.3Very low55.2Low65 Ų65122.5 Ų122.567%0.6766%0.663SS**  trans132.858.1169.200000116.2
7R40Very low56.8Low232 Ų232126.2 Ų126.288%0.87567%0.667SS**  trans-124.3113.4160.5-101-174.6175.2174-0.7107.9Q9R7-Q9 PolarHBondContact O-N 3.07Å
8A47.8Very low58.2Low54 Ų54121.9 Ų121.945%0.44666%0.658SS.*  trans-45.1110.7170.600000109.8G10 E28A8-G10 PolarHBondContact O-N 2.84Å; A8-E28 WeakPolarHBondContact CA-OE1 3.24Å; A8-E28 PolarHBondContact N-OE1 3.19Å
9Q50.8Low59.4Low163 Ų163124.5 Ų124.576%0.76266%0.657SS**  trans-74.583.6175.6-80.7-174.5-14.600108.6R7 Q11R7-Q9 PolarHBondContact O-N 3.07Å; Q9-Q11 PolarHBondContact O-N 3.33Å
10G59.1Low60.5Low32 Ų32122.6 Ų122.633%0.3365%0.652SS.*PPolyproline II helixtrans-65122.7165.400000109.6A8 L12 I23A8-G10 PolarHBondContact O-N 2.84Å; G10-L12 PolarHBondContact O-N 3.34Å; G10-I23 WeakPolarHBondContact CA-O 3.46Å
11Q65.6Low61.4Low110 Ų110121.3 Ų121.351%0.51464%0.641SS.*EExtended strand (participates in β ladder)trans-78117.4169.6-125.9176.3-8.100107.4Q9 A13 I23Q9-Q11 PolarHBondContact O-N 3.33Å; Q11-A13 PolarHBondContact O-N 3.26Å; Q11-I23 HydrophobicContact CB-CB 4.35Å; Q11-I23 PolarHBondContact N-O 2.95Å; Q11-I23 PolarHBondContact O-N 3.26Å
12L69Low63.3Low106 Ų106114.8 Ų114.856%0.55561%0.61SS**EExtended strand (participates in β ladder)trans-72.2116174.2-156.496.5000108G10 F14 P20 I22G10-L12 PolarHBondContact O-N 3.34Å; L12-F14 HydrophobicContact CD2-CE1 4.27Å; L12-F14 HydrophobicContact CD2-CE2 3.91Å; L12-F14 HydrophobicContact CD2-CZ 3.54Å; L12-P20 HydrophobicContact CD1-CB 4.33Å; L12-P20 HydrophobicContact CD2-CB 4.25Å; L12-P20 HydrophobicContact CG-CB 4.28Å; L12-I22 HydrophobicContact CD1-CG1 4.23Å
13A75.6Confident64.9Low24 Ų24113.5 Ų113.520%0.19859%0.589CS.*EExtended strand (participates in β ladder)trans-116.6157.7173.800000109Q11 P20 F21 I23Q11-A13 PolarHBondContact O-N 3.26Å; A13-P20 CarbonylContact O-C 3.46Å; A13-P20 WeakPolarHBondContact O-CA 3.49Å; A13-F21 HydrophobicContact CB-CD2 4.23Å; A13-F21 HydrophobicContact CB-CE1 4.07Å; A13-F21 HydrophobicContact CB-CE2 3.68Å; A13-F21 HydrophobicContact CB-CZ 3.59Å; A13-F21 PolarHBondContact N-O 3.45Å; A13-F21 PolarHBondContact O-N 2.71Å; A13-I23 HydrophobicContact CB-CD1 3.85Å; A13-I23 HydrophobicContact CB-CG1 4.1Å
14F84.7Confident66Low129 Ų129113 Ų11357%0.56658%0.581SS**EExtended strand (participates in β ladder)trans-116.5137.8179.5-64.8-87.9000108.9L12 R19 P20 F21L12-F14 HydrophobicContact CD2-CE1 4.27Å; L12-F14 HydrophobicContact CD2-CE2 3.91Å; L12-F14 HydrophobicContact CD2-CZ 3.54Å; F14-R19 WeakPolarHBondContact CA-O 3.32Å; F14-P20 HydrophobicContact CD1-CB 4.15Å; F14-P20 HydrophobicContact CE1-CB 3.87Å; F14-F21 VanDerWaalsContact C-CE1 3.48Å
15D84.1Confident67.1Low54 Ų54110.2 Ų110.229%0.28956%0.564SS.*  trans-75.3175.6170.672.15000110.9Y17 G18 R19 F21D15-Y17 PolarHBondContact O-N 3.04Å; D15-Y17 VanDerWaalsContact OD1-C 3.23Å; D15-Y17 VanDerWaalsContact OD1-CA 3.3Å; D15-Y17 WeakPolarHBondContact OD1-CA 3.45Å; D15-Y17 WeakPolarHBondContact OD1-CB 3.26Å; D15-Y17 PolarHBondContact OD1-N 2.92Å; D15-G18 PolarHBondContact O-N 2.9Å; D15-G18 PolarHBondContact OD1-N 2.74Å; D15-R19 PolarHBondContact N-O 3.28Å; D15-R19 VanDerWaalsContact N-O 3.07Å; D15-R19 WeakPolarHBondContact OD1-CB 3.37Å; D15-R19 PolarHBondContact OD1-N 3.03Å; D15-R19 WeakPolarHBondContact OD2-CB 3.41Å; D15-F21 HydrophobicContact CB-CD1 4.19Å; D15-F21 HydrophobicContact CB-CE1 4.05Å
16E84.5Confident68.2Low192 Ų192108.8 Ų108.890%0.89755%0.55SS*.THydrogen-bonded Turntrans-60.3-14.6177.7-62.1-179.2168.200113.3
17Y82.4Confident68.7Low185 Ų185110.8 Ų110.873%0.72554%0.542SS*.THydrogen-bonded Turntrans-101.48.2177.7-58.6-79.7000113.1D15 R19D15-Y17 PolarHBondContact O-N 3.04Å; D15-Y17 VanDerWaalsContact OD1-C 3.23Å; D15-Y17 VanDerWaalsContact OD1-CA 3.3Å; D15-Y17 WeakPolarHBondContact OD1-CA 3.45Å; D15-Y17 WeakPolarHBondContact OD1-CB 3.26Å; D15-Y17 PolarHBondContact OD1-N 2.92Å; Y17-R19 VanDerWaalsContact C-N 3.25Å; Y17-R19 PolarHBondContact O-N 3.28Å
18G81.4Confident69.4Low49 Ų49105.6 Ų105.651%0.50553%0.527SS..  trans71.215.4-179.300000114.3D15D15-G18 PolarHBondContact O-N 2.9Å; D15-G18 PolarHBondContact OD1-N 2.74Å
19R80.9Confident70Confident172 Ų172107 Ų10765%0.64952%0.523SS*.  trans-80.8125.9174.8-56.6177.5174.4-179.7-0.6109.1F14 D15 Y17 F21F14-R19 WeakPolarHBondContact CA-O 3.32Å; D15-R19 PolarHBondContact N-O 3.28Å; D15-R19 VanDerWaalsContact N-O 3.07Å; D15-R19 WeakPolarHBondContact OD1-CB 3.37Å; D15-R19 PolarHBondContact OD1-N 3.03Å; D15-R19 WeakPolarHBondContact OD2-CB 3.41Å; Y17-R19 VanDerWaalsContact C-N 3.25Å; Y17-R19 PolarHBondContact O-N 3.28Å; R19-F21 PolarHBondContact O-N 3.02Å
20P82.8Confident70.8Confident85 Ų85104.8 Ų104.855%0.55251%0.511SS*.EExtended strand (participates in β ladder)trans-70.6129.2176.828.3-32.4000109.8L12 A13 F14L12-P20 HydrophobicContact CD1-CB 4.33Å; L12-P20 HydrophobicContact CD2-CB 4.25Å; L12-P20 HydrophobicContact CG-CB 4.28Å; A13-P20 CarbonylContact O-C 3.46Å; A13-P20 WeakPolarHBondContact O-CA 3.49Å; F14-P20 HydrophobicContact CD1-CB 4.15Å; F14-P20 HydrophobicContact CE1-CB 3.87Å
21F78.3Confident71.6Confident96 Ų96109.6 Ų109.642%0.42152%0.523SS..EExtended strand (participates in β ladder)trans-123.6149.2164.165.8-89.6000109.6A13 F14 D15 R19 I23A13-F21 HydrophobicContact CB-CD2 4.23Å; A13-F21 HydrophobicContact CB-CE1 4.07Å; A13-F21 HydrophobicContact CB-CE2 3.68Å; A13-F21 HydrophobicContact CB-CZ 3.59Å; A13-F21 PolarHBondContact N-O 3.45Å; A13-F21 PolarHBondContact O-N 2.71Å; F14-F21 VanDerWaalsContact C-CE1 3.48Å; D15-F21 HydrophobicContact CB-CD1 4.19Å; D15-F21 HydrophobicContact CB-CE1 4.05Å; R19-F21 PolarHBondContact O-N 3.02Å; F21-I23 HydrophobicContact CD2-CG1 4.18Å; F21-I23 HydrophobicContact CE2-CD1 4.21Å; F21-I23 HydrophobicContact CE2-CG1 3.78Å
22I74.6Confident72.3Confident105 Ų105111.4 Ų111.454%0.53853%0.525SS..EExtended strand (participates in β ladder)trans-98.9116.8-176.6-58.3174.3000107.7L12 L24L12-I22 HydrophobicContact CD1-CG1 4.23Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 HydrophobicContact CG2-CD2 4.03Å; I22-L24 HydrophobicContact CG2-CG 4.02Å; I22-L24 PolarHBondContact O-N 3.25Å
23I69.4Low73.1Confident69 Ų69109.7 Ų109.735%0.35452%0.516SS..EExtended strand (participates in β ladder)trans-77.391.6164.7-55.8176.2000106.3G10 Q11 A13 F21 R25G10-I23 WeakPolarHBondContact CA-O 3.46Å; Q11-I23 HydrophobicContact CB-CB 4.35Å; Q11-I23 PolarHBondContact N-O 2.95Å; Q11-I23 PolarHBondContact O-N 3.26Å; A13-I23 HydrophobicContact CB-CD1 3.85Å; A13-I23 HydrophobicContact CB-CG1 4.1Å; F21-I23 HydrophobicContact CD2-CG1 4.18Å; F21-I23 HydrophobicContact CE2-CD1 4.21Å; F21-I23 HydrophobicContact CE2-CG1 3.78Å; I23-R25 VanDerWaalsContact C-N 3.33Å; I23-R25 HydrophobicContact CG2-CG 4.05Å; I23-R25 PolarHBondContact O-N 3.43Å
24L59.4Low73.6Confident123 Ų123111.2 Ų111.264%0.64453%0.525SS*.  trans-6996.3164.1-69.5169000106.7I22 D26I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 HydrophobicContact CG2-CD2 4.03Å; I22-L24 HydrophobicContact CG2-CG 4.02Å; I22-L24 PolarHBondContact O-N 3.25Å; L24-D26 PolarHBondContact O-N 3.23Å
25R58.4Low73.7Confident142 Ų142106.5 Ų106.554%0.53651%0.513SS..  trans-74123.8162.1-68.4-176.3169.5167-2.2106.1I23 Q27I23-R25 VanDerWaalsContact C-N 3.33Å; I23-R25 HydrophobicContact CG2-CG 4.05Å; I23-R25 PolarHBondContact O-N 3.43Å; R25-Q27 HydrophobicContact CB-CG 3.8Å; R25-Q27 PolarHBondContact O-N 3.45Å
26D60.3Low73.8Confident97 Ų97109 Ų10952%0.51953%0.525SS..  trans-6340.5169.3-84.5-33.5000112.6L24 E28 K29 K30L24-D26 PolarHBondContact O-N 3.23Å; D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.08Å; D26-K29 HydrophobicContact CB-CB 4.28Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 VanDerWaalsContact O-N 3.14Å; D26-K30 WeakPolarHBondContact O-CG 3.5Å; D26-K30 PolarHBondContact O-N 3.44Å
27Q53.9Low74Confident107 Ų107106.5 Ų106.550%0.551%0.513SS..  trans-64.5-33-179.7-79.5-179.8-6.300111.6R25 K29 K30R25-Q27 HydrophobicContact CB-CG 3.8Å; R25-Q27 PolarHBondContact O-N 3.45Å; Q27-K29 PolarHBondContact O-N 3.15Å; Q27-K30 PolarHBondContact O-N 3.07Å
28E54.7Low74.4Confident123 Ų12397.7 Ų97.758%0.57548%0.479SS*.THydrogen-bonded Turntrans-67.6-26.5175.4-67.7-173.7161.200112.1A8 D26A8-E28 WeakPolarHBondContact CA-OE1 3.24Å; A8-E28 PolarHBondContact N-OE1 3.19Å; D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.08Å
29K60.8Low74.9Confident83 Ų8395.9 Ų95.936%0.36146%0.457SS..THydrogen-bonded Turntrans-908.6175.9-67.4-172.2165.9-152.70113.7D26 Q27 V542 D543D26-K29 HydrophobicContact CB-CB 4.28Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 VanDerWaalsContact O-N 3.14Å; Q27-K29 PolarHBondContact O-N 3.15Å; K29-V542 VanDerWaalsContact C-CG2 3.48Å; K29-V542 HydrophobicContact CB-CB 4.43Å; K29-V542 WeakPolarHBondContact O-CB 3.36Å; K29-V542 WeakPolarHBondContact O-CG2 3.46Å; K29-V542 PolarHBondContact O-N 3.15Å; K29-D543 IonicContact NZ-OD1 3.55Å; K29-D543 PolarHBondContact NZ-OD1 3.32Å; K29-D543 VanDerWaalsContact NZ-OD1 3.08Å; K29-D543 IonicContact NZ-OD2 2.66Å; K29-D543 PolarHBondContact NZ-OD2 3.13Å
30K67.6Low75.5Confident117 Ų11790.8 Ų90.851%0.50944%0.44SS..EExtended strand (participates in β ladder)trans-123.3114.3-177.8-71-178.6-176.6-172.50110.9D26 Q27 V540D26-K30 WeakPolarHBondContact O-CG 3.5Å; D26-K30 PolarHBondContact O-N 3.44Å; Q27-K30 PolarHBondContact O-N 3.07Å; K30-V540 VanDerWaalsContact CA-O 3.32Å; K30-V540 WeakPolarHBondContact CA-O 3.33Å
31K75Confident75.9Confident133 Ų13388.6 Ų88.658%0.57843%0.426SS*.EExtended strand (participates in β ladder)trans-77.5126.8168.1-70.7-178.6-177.9171.60108R539 V540 V542K31-R539 WeakPolarHBondContact O-CA 3.23Å; K31-V540 PolarHBondContact N-O 3.13Å; K31-V540 PolarHBondContact O-N 2.83Å; K31-V542 HydrophobicContact CG-CG2 4.31Å
32R81.5Confident76.6Confident149 Ų14984.4 Ų84.456%0.56241%0.408SS*.EExtended strand (participates in β ladder)trans-117.5127176.9-167.2-177.1-177-157.5-3.8109.9C34 D537 I538 R539R32-C34 VanDerWaalsContact CZ-SG 3.56Å; R32-C34 PolarHBondContact NE-SG 3.45Å; R32-D537 VanDerWaalsContact CG-OD1 3.24Å; R32-D537 WeakPolarHBondContact CG-OD1 3.41Å; R32-D537 IonicContact CZ-OD1 3.01Å; R32-D537 IonicContact CZ-OD2 2.73Å; R32-D537 VanDerWaalsContact CZ-OD2 3.32Å; R32-D537 VanDerWaalsContact NE-CG 3.34Å; R32-D537 IonicContact NE-OD1 2.77Å; R32-D537 PolarHBondContact NE-OD1 3.09Å; R32-D537 IonicContact NE-OD2 3.59Å; R32-D537 PolarHBondContact NE-OD2 3.35Å; R32-D537 VanDerWaalsContact NE-OD2 3.12Å; R32-D537 IonicContact NH2-OD1 3.66Å; R32-D537 IonicContact NH2-OD2 3.72Å; R32-D537 PolarHBondContact NH2-OD2 2.92Å; R32-I538 VanDerWaalsContact CA-O 3.27Å; R32-I538 WeakPolarHBondContact CA-O 3.4Å; R32-R539 HydrophobicContact CG-CG 4.28Å
33L84Confident77.6Confident69 Ų6979.4 Ų79.436%0.36138%0.383SS..EExtended strand (participates in β ladder)trans-115.9130.5170.8-71.5168.7000107.7A38 I538L33-A38 HydrophobicContact CB-CB 4.25Å; L33-I538 HydrophobicContact CB-CB 4.33Å; L33-I538 HydrophobicContact CB-CD1 3.98Å; L33-I538 HydrophobicContact CB-CG1 4.45Å; L33-I538 HydrophobicContact CD1-CD1 4.02Å; L33-I538 PolarHBondContact N-O 3.47Å; L33-I538 VanDerWaalsContact N-O 3.11Å; L33-I538 PolarHBondContact O-N 3.27Å
34C85.8Confident78.8Confident57 Ų5782.1 Ų82.139%0.38540%0.395SS..EExtended strand (participates in β ladder)trans-126149-174.3-62.30000112.2R32 D536R32-C34 VanDerWaalsContact CZ-SG 3.56Å; R32-C34 PolarHBondContact NE-SG 3.45Å; C34-D536 CarbonylContact C-O 3.47Å; C34-D536 VanDerWaalsContact CA-O 3.32Å; C34-D536 WeakPolarHBondContact CA-O 3.26Å
35G87.1Confident80.4Confident30 Ų3077 Ų7731%0.30937%0.371SS..THydrogen-bonded Turntrans60-133.3169.100000113.1Q37 A38 H39 D536G35-Q37 VanDerWaalsContact C-N 3.25Å; G35-Q37 PolarHBondContact O-N 3.33Å; G35-A38 WeakPolarHBondContact O-CB 3.46Å; G35-A38 PolarHBondContact O-N 3.01Å; G35-A38 VanDerWaalsContact O-N 3.07Å; G35-H39 PolarHBondContact O-CD2 2.85Å; G35-H39 PolarHBondContact O-N 3.48Å; G35-D536 PolarHBondContact N-O 3.49Å
36I87.8Confident82.2Confident105 Ų10570.2 Ų70.254%0.53835%0.345SS..Hα-helixtrans-59.1-36-174.3-60171.6000112A38 H39 K40I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.37Å; I36-H39 PolarHBondContact O-N 3.5Å; I36-K40 HydrophobicContact CG2-CD 4.34Å; I36-K40 HydrophobicContact CG2-CG 4.31Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 3.34Å
37Q88.4Confident83.8Confident141 Ų14169.9 Ų69.966%0.65934%0.339SS*.Hα-helixtrans-65.7-37.6178.6-70-178.4-12.100112.2G35 S41G35-Q37 VanDerWaalsContact C-N 3.25Å; G35-Q37 PolarHBondContact O-N 3.33Å; Q37-S41 WeakPolarHBondContact O-CB 3.42Å; Q37-S41 PolarHBondContact O-N 2.88Å
38A91Very high85.7Confident0 Ų069 Ų690%034%0.341CS..Hα-helixtrans-64-49174.600000110.6L33 G35 I36 K40 S41 H42 I538L33-A38 HydrophobicContact CB-CB 4.25Å; G35-A38 WeakPolarHBondContact O-CB 3.46Å; G35-A38 PolarHBondContact O-N 3.01Å; G35-A38 VanDerWaalsContact O-N 3.07Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.37Å; A38-K40 PolarHBondContact O-N 2.92Å; A38-S41 WeakPolarHBondContact O-CB 3.48Å; A38-S41 PolarHBondContact O-N 3Å; A38-H42 PolarHBondContact O-CD2 3.13Å; A38-H42 PolarHBondContact O-N 2.94Å; A38-I538 HydrophobicContact CB-CD1 3.9Å; A38-I538 HydrophobicContact CB-CG1 4.07Å
39H91.7Very high87.6Confident11 Ų1163.5 Ų63.55%0.05132%0.316CS..Hα-helixtrans-58.3-45.3177-63.1-48.2000112.6G35 I36 S41 H42 I43 L129 P135 L533 I535G35-H39 PolarHBondContact O-CD2 2.85Å; G35-H39 PolarHBondContact O-N 3.48Å; I36-H39 PolarHBondContact O-N 3.5Å; H39-S41 PolarHBondContact O-N 2.94Å; H39-H42 WeakPolarHBondContact O-CB 3.27Å; H39-H42 PolarHBondContact O-N 2.98Å; H39-I43 VanDerWaalsContact O-CG1 3.25Å; H39-I43 WeakPolarHBondContact O-CG1 3.23Å; H39-I43 PolarHBondContact O-N 3.44Å; H39-L129 HydrophobicContact CB-CD1 3.87Å; H39-P135 WeakPolarHBondContact NE2-CG 3.36Å; H39-L533 PolarHBondContact CE1-O 3.22Å; H39-L533 VanDerWaalsContact CE1-O 3.22Å; H39-I535 PolarHBondContact CE1-O 3.33Å; H39-I535 PolarHBondContact ND1-O 2.95Å
40K91.8Very high89.2Confident65 Ų6560 Ų6028%0.28330%0.302SS..Hα-helixtrans-63.2-40.7177.4-72.1-166177.7-147.80112.5I36 A38 H42 I43 M44 D130I36-K40 HydrophobicContact CG2-CD 4.34Å; I36-K40 HydrophobicContact CG2-CG 4.31Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 3.34Å; A38-K40 PolarHBondContact O-N 2.92Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-H42 PolarHBondContact O-N 2.99Å; K40-I43 PolarHBondContact O-N 3.43Å; K40-M44 VanDerWaalsContact O-CB 3.29Å; K40-M44 WeakPolarHBondContact O-CB 3.42Å; K40-M44 PolarHBondContact O-N 3.27Å; K40-D130 WeakPolarHBondContact CE-OD1 3.4Å; K40-D130 VanDerWaalsContact NZ-CG 3.32Å; K40-D130 IonicContact NZ-OD1 2.74Å; K40-D130 PolarHBondContact NZ-OD1 3.42Å; K40-D130 IonicContact NZ-OD2 3.12Å; K40-D130 PolarHBondContact NZ-OD2 3.14Å; K40-D130 VanDerWaalsContact NZ-OD2 3.17Å
41S92.2Very high90.5Very high39 Ų3956.3 Ų56.327%0.27330%0.298SS..Hα-helixtrans-59.3-44.8173.8-1710000111.6Q37 A38 H39 M44 A45Q37-S41 WeakPolarHBondContact O-CB 3.42Å; Q37-S41 PolarHBondContact O-N 2.88Å; A38-S41 WeakPolarHBondContact O-CB 3.48Å; A38-S41 PolarHBondContact O-N 3Å; H39-S41 PolarHBondContact O-N 2.94Å; S41-M44 PolarHBondContact O-N 3.48Å; S41-A45 PolarHBondContact O-N 3.35Å
42H93.6Very high91.3Very high7 Ų752.3 Ų52.33%0.03228%0.284CS..Hα-helixtrans-62.9-47178.3-64.2-24.1000112.8A38 H39 K40 A45 A46 H90 I92 I532 I535 I538A38-H42 PolarHBondContact O-CD2 3.13Å; A38-H42 PolarHBondContact O-N 2.94Å; H39-H42 WeakPolarHBondContact O-CB 3.27Å; H39-H42 PolarHBondContact O-N 2.98Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-H42 PolarHBondContact O-N 2.99Å; H42-A45 PolarHBondContact O-N 2.96Å; H42-A46 WeakPolarHBondContact O-CB 3.48Å; H42-A46 PolarHBondContact O-N 3.27Å; H42-H90 AromaticContact ND1-CE1 3.95Å; H42-I92 HydrophobicContact CB-CD1 4.22Å; H42-I92 HydrophobicContact CB-CG1 3.79Å; H42-I92 WeakPolarHBondContact ND1-CG1 3.3Å; H42-I532 HydrophobicContact CB-CG2 3.92Å; H42-I535 WeakPolarHBondContact NE2-CG2 3.37Å; H42-I538 WeakPolarHBondContact CE1-CD1 3.19Å; H42-I538 VanDerWaalsContact CE1-CG1 3.4Å; H42-I538 WeakPolarHBondContact CE1-CG1 3.44Å; H42-I538 WeakPolarHBondContact NE2-CD1 3.5Å
43I94.7Very high91.9Very high1 Ų145.2 Ų45.21%0.00526%0.257CS..Hα-helixtrans-65-42.4179.2-65.5164.3000110.3H39 K40 A45 A46 K47 L122 E126 L129H39-I43 VanDerWaalsContact O-CG1 3.25Å; H39-I43 WeakPolarHBondContact O-CG1 3.23Å; H39-I43 PolarHBondContact O-N 3.44Å; K40-I43 PolarHBondContact O-N 3.43Å; I43-A45 PolarHBondContact O-N 3.32Å; I43-A46 PolarHBondContact O-N 2.99Å; I43-K47 VanDerWaalsContact O-CB 3.28Å; I43-K47 WeakPolarHBondContact O-CB 3.4Å; I43-K47 PolarHBondContact O-N 2.91Å; I43-L122 HydrophobicContact CG1-CB 4.17Å; I43-L122 HydrophobicContact CG1-CD2 4.34Å; I43-L122 HydrophobicContact CG2-CB 4.16Å; I43-L122 WeakPolarHBondContact CG2-O 3.49Å; I43-E126 HydrophobicContact CD1-CB 3.94Å; I43-E126 HydrophobicContact CD1-CG 4.47Å; I43-E126 HydrophobicContact CG2-CB 4.15Å; I43-L129 HydrophobicContact CD1-CD1 3.79Å
44M94.7Very high92.3Very high126 Ų12646 Ų4662%0.62126%0.256SS*.Hα-helixtrans-60.7-44.7177.1-177.3-179.7-67.900112.1K40 S41 K47 T48K40-M44 VanDerWaalsContact O-CB 3.29Å; K40-M44 WeakPolarHBondContact O-CB 3.42Å; K40-M44 PolarHBondContact O-N 3.27Å; S41-M44 PolarHBondContact O-N 3.48Å; M44-K47 PolarHBondContact O-N 3.4Å; M44-T48 WeakPolarHBondContact O-CB 3.22Å; M44-T48 PolarHBondContact O-N 3.39Å; M44-T48 PolarHBondContact O-OG1 3.34Å
45A93.9Very high92.7Very high15 Ų1546.8 Ų46.812%0.12426%0.259CS..Hα-helixtrans-60.8-46.5175.600000111.2S41 H42 I43 T48 V49 H90S41-A45 PolarHBondContact O-N 3.35Å; H42-A45 PolarHBondContact O-N 2.96Å; I43-A45 PolarHBondContact O-N 3.32Å; A45-T48 PolarHBondContact O-N 2.87Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.44Å; A45-V49 VanDerWaalsContact O-N 3.15Å; A45-H90 VanDerWaalsContact CB-CE1 3.43Å; A45-H90 WeakPolarHBondContact CB-CE1 3.32Å; A45-H90 WeakPolarHBondContact CB-ND1 3.49Å
46A95.1Very high93Very high0 Ų045.4 Ų45.40%024%0.244CC..Hα-helixtrans-64.1-43.4179.100000113.1H42 I43 T48 V49 A50 I92 L96 L122H42-A46 WeakPolarHBondContact O-CB 3.48Å; H42-A46 PolarHBondContact O-N 3.27Å; I43-A46 PolarHBondContact O-N 2.99Å; A46-T48 VanDerWaalsContact C-N 3.29Å; A46-T48 PolarHBondContact O-N 3.16Å; A46-V49 PolarHBondContact O-N 3.41Å; A46-A50 WeakPolarHBondContact O-CB 3.29Å; A46-A50 PolarHBondContact O-N 3.02Å; A46-I92 HydrophobicContact CB-CG2 4.19Å; A46-L96 HydrophobicContact CB-CD1 3.8Å; A46-L122 HydrophobicContact CB-CD1 3.35Å
47K94.8Very high93.2Very high89 Ų8941.4 Ų41.439%0.38722%0.224SC..Hα-helixtrans-61.3-37.8175.9-178.9171.6174.9172.10111.8I43 M44 G51 E123I43-K47 VanDerWaalsContact O-CB 3.28Å; I43-K47 WeakPolarHBondContact O-CB 3.4Å; I43-K47 PolarHBondContact O-N 2.91Å; M44-K47 PolarHBondContact O-N 3.4Å; K47-G51 PolarHBondContact O-N 3.48Å; K47-E123 HydrophobicContact CD-CG 4.39Å; K47-E123 VanDerWaalsContact CE-OE1 3.32Å; K47-E123 WeakPolarHBondContact CE-OE1 3.45Å; K47-E123 IonicContact NZ-OE1 3.78Å; K47-E123 PolarHBondContact NZ-OE1 3.39Å; K47-E123 IonicContact NZ-OE2 3.95Å
48T94.2Very high93.3Very high88 Ų8835.4 Ų35.454%0.5420%0.2SC..Hα-helixtrans-64.3-47.1177.4-56.40000110.8M44 A45 A46 G51 T52M44-T48 WeakPolarHBondContact O-CB 3.22Å; M44-T48 PolarHBondContact O-N 3.39Å; M44-T48 PolarHBondContact O-OG1 3.34Å; A45-T48 PolarHBondContact O-N 2.87Å; A46-T48 VanDerWaalsContact C-N 3.29Å; A46-T48 PolarHBondContact O-N 3.16Å; T48-G51 PolarHBondContact O-N 2.94Å; T48-T52 PolarHBondContact O-N 3.16Å
49V94.2Very high93.2Very high9 Ų937.6 Ų37.66%0.05521%0.214CC..Hα-helixtrans-66.2-43178176.80000112A45 A46 G51 T52 L53 L83 A93 L96 V115A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.44Å; A45-V49 VanDerWaalsContact O-N 3.15Å; A46-V49 PolarHBondContact O-N 3.41Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 2.86Å; V49-T52 PolarHBondContact O-N 2.87Å; V49-T52 PolarHBondContact O-OG1 3.5Å; V49-L53 PolarHBondContact O-N 3.39Å; V49-L83 HydrophobicContact CG1-CD2 3.45Å; V49-L83 VanDerWaalsContact CG1-CD2 3.45Å; V49-A93 HydrophobicContact CG2-CB 3.57Å; V49-L96 HydrophobicContact CB-CD1 3.84Å; V49-L96 HydrophobicContact CG1-CB 4.36Å; V49-L96 HydrophobicContact CG1-CD1 3.95Å; V49-L96 HydrophobicContact CG2-CD1 4.38Å; V49-V115 HydrophobicContact CG1-CG1 4.3Å
50A94.7Very high93.2Very high9 Ų942.3 Ų42.37%0.07423%0.234CC..Hα-helixtrans-62.9-38.7174.500000111.5A46 T52 L53 R54A46-A50 WeakPolarHBondContact O-CB 3.29Å; A46-A50 PolarHBondContact O-N 3.02Å; A50-T52 PolarHBondContact O-N 3.05Å; A50-L53 PolarHBondContact O-N 3.49Å; A50-R54 WeakPolarHBondContact O-CB 3.31Å; A50-R54 PolarHBondContact O-N 2.98Å
51G93.5Very high93.2Very high40 Ų4039.7 Ų39.741%0.41223%0.225SC..Hα-helixtrans-62.5-36.6176.300000113.5K47 T48 V49K47-G51 PolarHBondContact O-N 3.48Å; T48-G51 PolarHBondContact O-N 2.94Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 2.86Å
52T92.7Very high93.1Very high48 Ų4843.9 Ų43.929%0.29424%0.244SC..Hα-helixtrans-66.5-43.3174.962.10000111T48 V49 A50 T55 K64 M86T48-T52 PolarHBondContact O-N 3.16Å; V49-T52 PolarHBondContact O-N 2.87Å; V49-T52 PolarHBondContact O-OG1 3.5Å; A50-T52 PolarHBondContact O-N 3.05Å; T52-T55 PolarHBondContact O-OG1 2.61Å; T52-K64 WeakPolarHBondContact O-CE 3.26Å; T52-K64 PolarHBondContact O-NZ 3.3Å; T52-M86 HydrophobicContact CG2-CE 4.44Å
53L93.1Very high93Very high0 Ų046.1 Ų46.10%026%0.257CS..Hα-helixtrans-74.7-25.6-178.9-75.6-175.4000114.5V49 A50 T55 S56 I82 L83 T112 V115V49-L53 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 3.49Å; L53-T55 PolarHBondContact O-N 2.93Å; L53-T55 VanDerWaalsContact O-N 3.08Å; L53-S56 PolarHBondContact O-N 2.91Å; L53-I82 HydrophobicContact CD2-CB 3.89Å; L53-I82 HydrophobicContact CD2-CD1 3.89Å; L53-I82 HydrophobicContact CD2-CG1 4.5Å; L53-I82 HydrophobicContact CD2-CG2 3.63Å; L53-L83 HydrophobicContact CD1-CD1 3.69Å; L53-L83 HydrophobicContact CD1-CD2 4.03Å; L53-L83 HydrophobicContact CD1-CG 3.83Å; L53-L83 HydrophobicContact CG-CD2 4.37Å; L53-L83 HydrophobicContact CG-CG 4.48Å; L53-T112 HydrophobicContact CB-CG2 4.12Å; L53-V115 HydrophobicContact CD1-CB 3.83Å; L53-V115 HydrophobicContact CD1-CG1 3.76Å; L53-V115 HydrophobicContact CD1-CG2 4.17Å
54R93.3Very high92.9Very high87 Ų8747.9 Ų47.933%0.32826%0.264SS..Hα-helixtrans-51.3-37.2-177.1-173.2177.4175.3-177-2.1113.5A50 S56 L57 A466 E469 N470A50-R54 WeakPolarHBondContact O-CB 3.31Å; A50-R54 PolarHBondContact O-N 2.98Å; R54-S56 PolarHBondContact O-N 2.77Å; R54-L57 PolarHBondContact O-N 3.48Å; R54-A466 HydrophobicContact CG-CB 3.72Å; R54-E469 IonicContact CZ-OE2 2.88Å; R54-E469 IonicContact NE-OE2 3.72Å; R54-E469 PolarHBondContact NE-OE2 3.01Å; R54-E469 IonicContact NH1-OE2 2.71Å; R54-E469 IonicContact NH2-OE2 3.35Å; R54-E469 PolarHBondContact NH2-OE2 3.37Å; R54-N470 PolarHBondContact O-ND2 3.43Å
55T93.9Very high92.9Very high73 Ų7347.4 Ų47.445%0.44826%0.263SS..THydrogen-bonded Turntrans-73.1-9.7-179.555.40000114.7T52 L53 G61 L62 K64T52-T55 PolarHBondContact O-OG1 2.61Å; L53-T55 PolarHBondContact O-N 2.93Å; L53-T55 VanDerWaalsContact O-N 3.08Å; T55-G61 WeakPolarHBondContact O-CA 3.42Å; T55-L62 PolarHBondContact O-N 3.21Å; T55-K64 PolarHBondContact OG1-NZ 3.31Å
56S92.7Very high92.8Very high1 Ų147.9 Ų47.91%0.00726%0.264CS..THydrogen-bonded Turntrans-98-6.8176.4-59.30000112.2L53 R54 L62 K64 N77L53-S56 PolarHBondContact O-N 2.91Å; R54-S56 PolarHBondContact O-N 2.77Å; S56-L62 WeakPolarHBondContact CB-O 3.36Å; S56-L62 PolarHBondContact OG-O 3Å; S56-K64 PolarHBondContact OG-NZ 2.82Å; S56-N77 PolarHBondContact O-OD1 3.06Å
57L92.7Very high92.7Very high21 Ų2152.3 Ų52.311%0.1129%0.29CS..  trans-75.2129.8-177.4-168.870.7000112.7R54 T112 I463 A466 L467 N470R54-L57 PolarHBondContact O-N 3.48Å; L57-T112 HydrophobicContact CB-CG2 4.33Å; L57-T112 HydrophobicContact CD1-CG2 4.13Å; L57-I463 HydrophobicContact CD2-CD1 4.14Å; L57-I463 HydrophobicContact CD2-CG2 4.3Å; L57-A466 HydrophobicContact CD2-CB 3.93Å; L57-L467 HydrophobicContact CD2-CD2 4.4Å; L57-L467 HydrophobicContact CD2-CG 4.47Å; L57-L467 HydrophobicContact CG-CD2 4.08Å; L57-N470 PolarHBondContact O-ND2 3.17Å
58G91Very high92.5Very high15 Ų1549.7 Ų49.716%0.15528%0.283CS..SBendtrans93.8176.2171.500000115.2K60 G61 S180G58-K60 PolarHBondContact O-N 2.96Å; G58-G61 PolarHBondContact O-N 3.39Å; G58-S180 VanDerWaalsContact O-CB 3.24Å; G58-S180 WeakPolarHBondContact O-CB 3.33Å
59P89.5Confident92.4Very high45 Ų4551.9 Ų51.929%0.29230%0.299SS..THydrogen-bonded Turntrans-67.9-18.2-174.428-35.9000114.3C498 L499P59-C498 HydrophobicContact CG-CB 3.53Å; P59-L499 HydrophobicContact CB-CD2 4.41Å
60K91.5Very high92.3Very high111 Ų11158.6 Ų58.648%0.48334%0.335SS..THydrogen-bonded Turntrans-103.24.8173.5-62.6-61.7-173.2-177.90112.8G58 N470G58-K60 PolarHBondContact O-N 2.96Å; K60-N470 WeakPolarHBondContact CB-O 3.4Å
61G90.5Very high92.1Very high9 Ų960.3 Ų60.39%0.09335%0.353CS..  trans-63147.6172.800000111.2T55 G58 N77T55-G61 WeakPolarHBondContact O-CA 3.42Å; G58-G61 PolarHBondContact O-N 3.39Å; G61-N77 PolarHBondContact O-ND2 3.08Å
62L91.5Very high91.9Very high128 Ų12862.9 Ų62.967%0.6736%0.358SS*.  trans-105.1148.3-178.5-63.6176.5000111.9T55 S56T55-L62 PolarHBondContact O-N 3.21Å; S56-L62 WeakPolarHBondContact CB-O 3.36Å; S56-L62 PolarHBondContact OG-O 3Å
63D91.8Very high91.9Very high54 Ų5463.2 Ų63.229%0.28936%0.36SS..  trans-73.6155.4176.7-54.5-7.9000110.9V75 T76 N77 I182D63-V75 HydrophobicContact CB-CG1 3.72Å; D63-T76 WeakPolarHBondContact CA-O 3.24Å; D63-N77 VanDerWaalsContact OD1-CB 3.25Å; D63-N77 WeakPolarHBondContact OD1-CB 3.47Å; D63-N77 PolarHBondContact OD1-ND2 3.42Å; D63-I182 VanDerWaalsContact OD2-CD1 3.3Å; D63-I182 WeakPolarHBondContact OD2-CD1 3.46Å; D63-I182 WeakPolarHBondContact OD2-CG1 3.39Å
64K92.4Very high91.7Very high37 Ų3764 Ų6416%0.16137%0.365CS..EExtended strand (participates in β ladder)trans-106.4136.1174.2-52.9-160.7-165.7-49.30110.5T52 T55 S56 L66 V75 T76 I82T52-K64 WeakPolarHBondContact O-CE 3.26Å; T52-K64 PolarHBondContact O-NZ 3.3Å; T55-K64 PolarHBondContact OG1-NZ 3.31Å; S56-K64 PolarHBondContact OG-NZ 2.82Å; K64-L66 HydrophobicContact CB-CG 4.47Å; K64-V75 WeakPolarHBondContact O-CA 3.39Å; K64-T76 PolarHBondContact N-O 3.06Å; K64-T76 PolarHBondContact O-N 3.45Å; K64-I82 HydrophobicContact CB-CD1 4.3Å; K64-I82 HydrophobicContact CB-CG1 4.32Å; K64-I82 HydrophobicContact CD-CD1 4.01Å; K64-I82 HydrophobicContact CD-CG1 4.41Å; K64-I82 HydrophobicContact CD-CG2 3.83Å; K64-I82 HydrophobicContact CG-CD1 3.85Å; K64-I82 HydrophobicContact CG-CG1 4.36Å
65L93.5Very high91.7Very high116 Ų11661.6 Ų61.661%0.60736%0.359SS*.EExtended strand (participates in β ladder)trans-89.1118.1169.7-172.1155.7000108.5V67 V73 V75L65-V67 HydrophobicContact CD2-CG2 3.61Å; L65-V73 HydrophobicContact CD1-CG1 4.2Å; L65-V73 HydrophobicContact CD2-CG1 4.09Å; L65-V73 HydrophobicContact CG-CG1 3.93Å; L65-V75 HydrophobicContact CB-CG2 4.38Å; L65-V75 HydrophobicContact CD1-CG2 4.37Å; L65-V75 HydrophobicContact CG-CG2 4.22Å
66L92.7Very high91.5Very high26 Ų2658.1 Ų58.114%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-118.1133.3-178.7-60.9163.4000108.4K64 V73 T74 T76 I82 K85 M86K64-L66 HydrophobicContact CB-CG 4.47Å; L66-V73 WeakPolarHBondContact O-CA 3.21Å; L66-T74 PolarHBondContact N-O 3.12Å; L66-T74 PolarHBondContact O-N 2.86Å; L66-T76 HydrophobicContact CD1-CG2 4.39Å; L66-I82 HydrophobicContact CD1-CB 4.27Å; L66-I82 HydrophobicContact CD1-CG1 4.19Å; L66-I82 HydrophobicContact CD1-CG2 4.34Å; L66-K85 HydrophobicContact CB-CB 4.32Å; L66-K85 HydrophobicContact CB-CD 4.38Å; L66-K85 HydrophobicContact CD1-CB 3.84Å; L66-K85 HydrophobicContact CD1-CD 4.09Å; L66-M86 HydrophobicContact CD2-CG 4.27Å
67V93.5Very high91.3Very high92 Ų9258.4 Ų58.456%0.55834%0.339SS*.EExtended strand (participates in β ladder)trans-115.5120.5178.6-173.20000107.4L65 V73L65-V67 HydrophobicContact CD2-CG2 3.61Å; V67-V73 HydrophobicContact CG2-CG2 4.35Å
68S90.8Very high91.1Very high34 Ų3457.9 Ų57.924%0.23834%0.337CS..  trans-70.6162.7174.975.20000111D70 G71 D72S68-D70 PolarHBondContact O-N 3.37Å; S68-D70 VanDerWaalsContact O-N 3.17Å; S68-D70 PolarHBondContact OG-N 2.9Å; S68-G71 PolarHBondContact O-N 2.66Å; S68-G71 PolarHBondContact OG-N 3.46Å; S68-D72 PolarHBondContact N-O 3.48Å; S68-D72 WeakPolarHBondContact OG-CB 3.47Å; S68-D72 PolarHBondContact OG-N 3.43Å
69P90.8Very high91Very high135 Ų13557.1 Ų57.188%0.87733%0.329SS*.THydrogen-bonded Turntrans-55.6-28.9171.2-26.135.6000113.5G71P69-G71 VanDerWaalsContact C-N 3.27Å; P69-G71 PolarHBondContact O-N 2.99Å
70D92.3Very high91.1Very high149 Ų14957.6 Ų57.680%0.79733%0.325SS*.THydrogen-bonded Turntrans-79.4-6.7176.9-58.2-46.3000113.5S68S68-D70 PolarHBondContact O-N 3.37Å; S68-D70 VanDerWaalsContact O-N 3.17Å; S68-D70 PolarHBondContact OG-N 2.9Å
71G90.3Very high91.1Very high45 Ų4553.1 Ų53.146%0.46431%0.307SS..  trans89.77.1-178.800000115.1S68 P69 V73S68-G71 PolarHBondContact O-N 2.66Å; S68-G71 PolarHBondContact OG-N 3.46Å; P69-G71 VanDerWaalsContact C-N 3.27Å; P69-G71 PolarHBondContact O-N 2.99Å; G71-V73 PolarHBondContact O-N 2.82Å
72D89.7Confident91.2Very high95 Ų9552.7 Ų52.751%0.50830%0.303SS..  trans-71.8124.8175-77-32.9000110.5S68S68-D72 PolarHBondContact N-O 3.48Å; S68-D72 WeakPolarHBondContact OG-CB 3.47Å; S68-D72 PolarHBondContact OG-N 3.43Å
73V92.3Very high91.3Very high55 Ų5546.7 Ų46.733%0.33327%0.271SS..EExtended strand (participates in β ladder)trans-95.4127.2-179.7-179.90000109.8L65 L66 V67 G71 M398L65-V73 HydrophobicContact CD1-CG1 4.2Å; L65-V73 HydrophobicContact CD2-CG1 4.09Å; L65-V73 HydrophobicContact CG-CG1 3.93Å; L66-V73 WeakPolarHBondContact O-CA 3.21Å; V67-V73 HydrophobicContact CG2-CG2 4.35Å; G71-V73 PolarHBondContact O-N 2.82Å; V73-M398 HydrophobicContact CB-CE 3.57Å; V73-M398 HydrophobicContact CG1-CE 3.59Å; V73-M398 HydrophobicContact CG1-SD 4.28Å
74T90Very high91.3Very high17 Ų1746.8 Ų46.810%0.10427%0.272CS..EExtended strand (participates in β ladder)trans-124.4132.3173.3-56.40000110.2L66 T76 K85L66-T74 PolarHBondContact N-O 3.12Å; L66-T74 PolarHBondContact O-N 2.86Å; T74-T76 HydrophobicContact CG2-CG2 4.32Å; T74-K85 HydrophobicContact CG2-CD 4.04Å; T74-K85 PolarHBondContact OG1-NZ 3.18Å
75V92Very high91.2Very high36 Ų3649.2 Ų49.222%0.21828%0.282CS..EExtended strand (participates in β ladder)trans-115.9122.1173.1-177.60000106.9D63 K64 L65 M398D63-V75 HydrophobicContact CB-CG1 3.72Å; K64-V75 WeakPolarHBondContact O-CA 3.39Å; L65-V75 HydrophobicContact CB-CG2 4.38Å; L65-V75 HydrophobicContact CD1-CG2 4.37Å; L65-V75 HydrophobicContact CG-CG2 4.22Å; V75-M398 HydrophobicContact CG2-SD 4.19Å
76T89.9Confident91Very high0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-154.5150.8-175.7-173.80000111.9D63 K64 L66 T74 D78 T81 I82 E402D63-T76 WeakPolarHBondContact CA-O 3.24Å; K64-T76 PolarHBondContact N-O 3.06Å; K64-T76 PolarHBondContact O-N 3.45Å; L66-T76 HydrophobicContact CD1-CG2 4.39Å; T74-T76 HydrophobicContact CG2-CG2 4.32Å; T76-D78 PolarHBondContact OG1-N 3.25Å; T76-D78 VanDerWaalsContact OG1-N 3.17Å; T76-T81 HydrophobicContact CG2-CG2 3.78Å; T76-I82 HydrophobicContact CG2-CG1 3.81Å; T76-E402 WeakPolarHBondContact CA-OE2 3.47Å; T76-E402 WeakPolarHBondContact CB-OE2 3.36Å; T76-E402 VanDerWaalsContact OG1-CD 3.24Å; T76-E402 PolarHBondContact OG1-OE1 3.14Å; T76-E402 VanDerWaalsContact OG1-OE1 3.06Å; T76-E402 PolarHBondContact OG1-OE2 3.28Å
77N89.2Confident90.7Very high7 Ų752.4 Ų52.44%0.03730%0.299CS..  trans-95.1-17.5170.3-153.4-67.6000112.3S56 G61 D63 G79 S180 E402S56-N77 PolarHBondContact O-OD1 3.06Å; G61-N77 PolarHBondContact O-ND2 3.08Å; D63-N77 VanDerWaalsContact OD1-CB 3.25Å; D63-N77 WeakPolarHBondContact OD1-CB 3.47Å; D63-N77 PolarHBondContact OD1-ND2 3.42Å; N77-G79 PolarHBondContact O-N 3.27Å; N77-S180 PolarHBondContact ND2-O 2.86Å; N77-E402 PolarHBondContact N-OE1 3.43Å; N77-E402 VanDerWaalsContact N-OE1 3.15Å
78D88.3Confident90.4Very high9 Ų949.4 Ų49.45%0.04828%0.281CS..  trans-68.8120.6-172.4167.940.3000111.8T76 R80 T81 I82 T111T76-D78 PolarHBondContact OG1-N 3.25Å; T76-D78 VanDerWaalsContact OG1-N 3.17Å; D78-R80 VanDerWaalsContact C-N 3.26Å; D78-R80 PolarHBondContact O-N 3.16Å; D78-R80 PolarHBondContact OD1-N 3Å; D78-R80 VanDerWaalsContact OD1-N 3.16Å; D78-R80 WeakPolarHBondContact OD2-CB 3.23Å; D78-T81 PolarHBondContact O-N 3.07Å; D78-T81 VanDerWaalsContact OD2-CB 3.28Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 PolarHBondContact OD2-N 3.38Å; D78-T81 PolarHBondContact OD2-OG1 3.15Å; D78-I82 VanDerWaalsContact O-CG1 3.23Å; D78-I82 WeakPolarHBondContact O-CG1 3.35Å; D78-I82 PolarHBondContact O-N 2.73Å; D78-T111 PolarHBondContact OD1-OG1 3.43Å
79G89.8Confident90.3Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-59.8-33-178.700000113.4N77 L83 T111 T112N77-G79 PolarHBondContact O-N 3.27Å; G79-L83 WeakPolarHBondContact O-CB 3.2Å; G79-L83 VanDerWaalsContact O-CG 3.3Å; G79-L83 WeakPolarHBondContact O-CG 3.49Å; G79-L83 PolarHBondContact O-N 2.88Å; G79-L83 VanDerWaalsContact O-N 3.14Å; G79-T111 PolarHBondContact N-OG1 2.89Å; G79-T112 WeakPolarHBondContact CA-OG1 3.27Å; G79-T112 PolarHBondContact N-OG1 3.39Å
80R91Very high90.2Very high54 Ų5451.2 Ų51.220%0.20427%0.274CS..Hα-helixtrans-65.6-55174.7172.9-169.9-178.2154.614.8110D78 I82 L83 D84 S100 R101 D104 D105 T111D78-R80 VanDerWaalsContact C-N 3.26Å; D78-R80 PolarHBondContact O-N 3.16Å; D78-R80 PolarHBondContact OD1-N 3Å; D78-R80 VanDerWaalsContact OD1-N 3.16Å; D78-R80 WeakPolarHBondContact OD2-CB 3.23Å; R80-I82 VanDerWaalsContact C-N 3.25Å; R80-I82 PolarHBondContact O-N 3.18Å; R80-L83 PolarHBondContact O-N 3.21Å; R80-D84 IonicContact NE-OD2 3.17Å; R80-D84 WeakPolarHBondContact O-CB 3.35Å; R80-D84 PolarHBondContact O-N 2.71Å; R80-S100 VanDerWaalsContact CA-OG 3.26Å; R80-S100 WeakPolarHBondContact CA-OG 3.37Å; R80-S100 PolarHBondContact N-OG 3.36Å; R80-R101 HydrophobicContact CG-CG 4.2Å; R80-D104 HydrophobicContact CB-CB 4.4Å; R80-D104 WeakPolarHBondContact CD-OD2 3.22Å; R80-D104 HydrophobicContact CG-CB 4.45Å; R80-D104 IonicContact CZ-OD2 3.66Å; R80-D104 IonicContact NE-OD2 2.86Å; R80-D104 IonicContact NH1-OD2 3.87Å; R80-D104 PolarHBondContact NH1-OD2 3.21Å; R80-D105 IonicContact CZ-OD1 3.06Å; R80-D105 IonicContact NH1-OD1 3.08Å; R80-D105 PolarHBondContact NH1-OD1 3.06Å; R80-D105 IonicContact NH2-OD1 2.72Å; R80-D105 PolarHBondContact NH2-OD1 2.85Å; R80-D105 IonicContact NH2-OD2 2.73Å; R80-T111 HydrophobicContact CB-CG2 4.06Å
81T90.2Very high90.1Very high17 Ų1750 Ų5010%0.10426%0.263CS..Hα-helixtrans-61.4-35.9-177.9-58.10000111.9T76 D78 K85 R405T76-T81 HydrophobicContact CG2-CG2 3.78Å; D78-T81 PolarHBondContact O-N 3.07Å; D78-T81 VanDerWaalsContact OD2-CB 3.28Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 PolarHBondContact OD2-N 3.38Å; D78-T81 PolarHBondContact OD2-OG1 3.15Å; T81-K85 HydrophobicContact CG2-CD 4Å; T81-K85 WeakPolarHBondContact O-CB 3.43Å; T81-K85 WeakPolarHBondContact O-CG 3.24Å; T81-K85 PolarHBondContact O-N 2.94Å; T81-R405 WeakPolarHBondContact OG1-CD 3.38Å; T81-R405 PolarHBondContact OG1-NE 3.43Å
82I93.3Very high90.3Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-61.6-53.6174.5-67.5164.5000110.4L53 K64 L66 T76 D78 R80 D84 K85 M86L53-I82 HydrophobicContact CD2-CB 3.89Å; L53-I82 HydrophobicContact CD2-CD1 3.89Å; L53-I82 HydrophobicContact CD2-CG1 4.5Å; L53-I82 HydrophobicContact CD2-CG2 3.63Å; K64-I82 HydrophobicContact CB-CD1 4.3Å; K64-I82 HydrophobicContact CB-CG1 4.32Å; K64-I82 HydrophobicContact CD-CD1 4.01Å; K64-I82 HydrophobicContact CD-CG1 4.41Å; K64-I82 HydrophobicContact CD-CG2 3.83Å; K64-I82 HydrophobicContact CG-CD1 3.85Å; K64-I82 HydrophobicContact CG-CG1 4.36Å; L66-I82 HydrophobicContact CD1-CB 4.27Å; L66-I82 HydrophobicContact CD1-CG1 4.19Å; L66-I82 HydrophobicContact CD1-CG2 4.34Å; T76-I82 HydrophobicContact CG2-CG1 3.81Å; D78-I82 VanDerWaalsContact O-CG1 3.23Å; D78-I82 WeakPolarHBondContact O-CG1 3.35Å; D78-I82 PolarHBondContact O-N 2.73Å; R80-I82 VanDerWaalsContact C-N 3.25Å; R80-I82 PolarHBondContact O-N 3.18Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.11Å; I82-K85 PolarHBondContact O-N 3.42Å; I82-M86 HydrophobicContact CG2-CG 4.39Å; I82-M86 HydrophobicContact CG2-SD 3.84Å; I82-M86 VanDerWaalsContact O-CG 3.27Å; I82-M86 WeakPolarHBondContact O-CG 3.47Å; I82-M86 PolarHBondContact O-N 3.41Å
83L92.8Very high90.4Very high2 Ų243.5 Ų43.51%0.0122%0.218CC..Hα-helixtrans-66.5-33.8-177.5-70.9177.1000113.1V49 L53 G79 R80 K85 M86 V97 V115V49-L83 HydrophobicContact CG1-CD2 3.45Å; V49-L83 VanDerWaalsContact CG1-CD2 3.45Å; L53-L83 HydrophobicContact CD1-CD1 3.69Å; L53-L83 HydrophobicContact CD1-CD2 4.03Å; L53-L83 HydrophobicContact CD1-CG 3.83Å; L53-L83 HydrophobicContact CG-CD2 4.37Å; L53-L83 HydrophobicContact CG-CG 4.48Å; G79-L83 WeakPolarHBondContact O-CB 3.2Å; G79-L83 VanDerWaalsContact O-CG 3.3Å; G79-L83 WeakPolarHBondContact O-CG 3.49Å; G79-L83 PolarHBondContact O-N 2.88Å; G79-L83 VanDerWaalsContact O-N 3.14Å; R80-L83 PolarHBondContact O-N 3.21Å; L83-K85 VanDerWaalsContact C-N 3.29Å; L83-K85 PolarHBondContact O-N 3.38Å; L83-M86 HydrophobicContact CD2-SD 4.34Å; L83-M86 PolarHBondContact O-N 2.94Å; L83-V97 HydrophobicContact CB-CB 4.3Å; L83-V97 HydrophobicContact CB-CG1 4.14Å; L83-V97 HydrophobicContact CB-CG2 3.86Å; L83-V97 HydrophobicContact CD2-CG2 4.49Å; L83-V115 HydrophobicContact CD1-CG1 4.38Å; L83-V115 HydrophobicContact CD1-CG2 3.81Å
84D91.9Very high90.5Very high56 Ų5644.9 Ų44.930%0.29922%0.22SC..Hα-helixtrans-68.2-29.8178.2-78.3-10.7000113.3R80 I82 V97 R101R80-D84 IonicContact NE-OD2 3.17Å; R80-D84 WeakPolarHBondContact O-CB 3.35Å; R80-D84 PolarHBondContact O-N 2.71Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.11Å; D84-V97 WeakPolarHBondContact OD1-CG1 3.48Å; D84-R101 VanDerWaalsContact CG-NE 3.34Å; D84-R101 VanDerWaalsContact CG-NH2 3.32Å; D84-R101 IonicContact OD1-CZ 3.33Å; D84-R101 IonicContact OD1-NE 3.34Å; D84-R101 PolarHBondContact OD1-NE 3.22Å; D84-R101 IonicContact OD1-NH2 3.01Å; D84-R101 PolarHBondContact OD1-NH2 3.49Å; D84-R101 IonicContact OD2-CZ 3.5Å; D84-R101 IonicContact OD2-NE 2.61Å; D84-R101 PolarHBondContact OD2-NE 3.15Å; D84-R101 IonicContact OD2-NH2 2.84Å
85K91.2Very high90.7Very high89 Ų8945.9 Ų45.939%0.38722%0.224SC..Hα-helixtrans-93.1-15.3178.7-73174.7-177.7-98.50113.1L66 T74 T81 I82 L83 D87L66-K85 HydrophobicContact CB-CB 4.32Å; L66-K85 HydrophobicContact CB-CD 4.38Å; L66-K85 HydrophobicContact CD1-CB 3.84Å; L66-K85 HydrophobicContact CD1-CD 4.09Å; T74-K85 HydrophobicContact CG2-CD 4.04Å; T74-K85 PolarHBondContact OG1-NZ 3.18Å; T81-K85 HydrophobicContact CG2-CD 4Å; T81-K85 WeakPolarHBondContact O-CB 3.43Å; T81-K85 WeakPolarHBondContact O-CG 3.24Å; T81-K85 PolarHBondContact O-N 2.94Å; I82-K85 PolarHBondContact O-N 3.42Å; L83-K85 VanDerWaalsContact C-N 3.29Å; L83-K85 PolarHBondContact O-N 3.38Å; K85-D87 PolarHBondContact O-N 2.88Å
86M89.2Confident90.8Very high57 Ų5744.2 Ų44.228%0.28121%0.214SC..SBendtrans-73.3123.2171.6-76.6178.767.700108.9T52 L66 I82 L83 V88T52-M86 HydrophobicContact CG2-CE 4.44Å; L66-M86 HydrophobicContact CD2-CG 4.27Å; I82-M86 HydrophobicContact CG2-CG 4.39Å; I82-M86 HydrophobicContact CG2-SD 3.84Å; I82-M86 VanDerWaalsContact O-CG 3.27Å; I82-M86 WeakPolarHBondContact O-CG 3.47Å; I82-M86 PolarHBondContact O-N 3.41Å; L83-M86 HydrophobicContact CD2-SD 4.34Å; L83-M86 PolarHBondContact O-N 2.94Å; M86-V88 HydrophobicContact CB-CG2 3.88Å; M86-V88 PolarHBondContact O-N 3.26Å
87D87.2Confident91Very high151 Ų15144.9 Ų44.981%0.80722%0.218SC*.  trans-76.4105.9171.8-167.911.6000108.7K85K85-D87 PolarHBondContact O-N 2.88Å
88V87.1Confident91.3Very high30 Ų3049.8 Ų49.818%0.18224%0.241CC..  trans-120.2114.1-175.5-164.10000111.8M86 A93 K94M86-V88 HydrophobicContact CB-CG2 3.88Å; M86-V88 PolarHBondContact O-N 3.26Å; V88-A93 HydrophobicContact CB-CB 4.33Å; V88-A93 HydrophobicContact CG1-CB 3.27Å; V88-K94 WeakPolarHBondContact O-CE 3.49Å
89E87.3Confident91.6Very high142 Ų14249.9 Ų49.966%0.66424%0.241SC*.  trans-77.8-36.3179.9-64177.6176.900112.6E91 K94E89-E91 PolarHBondContact O-N 3.44Å; E89-K94 WeakPolarHBondContact O-CE 3.5Å; E89-K94 PolarHBondContact O-NZ 3.44Å
90H89.3Confident91.8Very high65 Ų6549.9 Ų49.930%0.30124%0.241SC..SBendtrans-70125-172.9-168.3-71.7000112.4H42 A45 I92 A93 K94H42-H90 AromaticContact ND1-CE1 3.95Å; A45-H90 VanDerWaalsContact CB-CE1 3.43Å; A45-H90 WeakPolarHBondContact CB-CE1 3.32Å; A45-H90 WeakPolarHBondContact CB-ND1 3.49Å; H90-I92 PolarHBondContact ND1-N 2.89Å; H90-I92 VanDerWaalsContact ND1-N 3.2Å; H90-I92 PolarHBondContact O-N 2.99Å; H90-A93 HydrophobicContact CB-CB 4.38Å; H90-A93 WeakPolarHBondContact O-CA 3.19Å; H90-A93 WeakPolarHBondContact O-CB 3.38Å; H90-A93 PolarHBondContact O-N 3.08Å; H90-K94 PolarHBondContact O-N 3.3Å; H90-K94 VanDerWaalsContact O-N 3.12Å
91E91.2Very high92Very high122 Ų12252.1 Ų52.157%0.5725%0.25SC*.Hα-helixtrans-56.1-42.1-174.2-65.7-55.5132.600114.2E89 A93 K94 L95E89-E91 PolarHBondContact O-N 3.44Å; E91-A93 PolarHBondContact O-N 3.34Å; E91-K94 WeakPolarHBondContact O-CB 3.46Å; E91-K94 PolarHBondContact O-N 3.45Å; E91-K94 VanDerWaalsContact O-N 3.14Å; E91-K94 IonicContact OE1-NZ 3.75Å; E91-K94 PolarHBondContact OE1-NZ 2.93Å; E91-K94 IonicContact OE2-NZ 2.82Å; E91-L95 PolarHBondContact O-N 2.94Å
92I92.7Very high92.2Very high3 Ų353.9 Ų53.92%0.01526%0.263CS..Hα-helixtrans-62.1-33176.3-58.9-59.7000112.5H42 A46 H90 L95 L96 I532 I535H42-I92 HydrophobicContact CB-CD1 4.22Å; H42-I92 HydrophobicContact CB-CG1 3.79Å; H42-I92 WeakPolarHBondContact ND1-CG1 3.3Å; A46-I92 HydrophobicContact CB-CG2 4.19Å; H90-I92 PolarHBondContact ND1-N 2.89Å; H90-I92 VanDerWaalsContact ND1-N 3.2Å; H90-I92 PolarHBondContact O-N 2.99Å; I92-L95 HydrophobicContact CD1-CD1 4.04Å; I92-L95 WeakPolarHBondContact O-CB 3.36Å; I92-L95 PolarHBondContact O-N 3.28Å; I92-L96 PolarHBondContact O-N 3.26Å; I92-L96 VanDerWaalsContact O-N 3.14Å; I92-I532 HydrophobicContact CD1-CG1 4.19Å; I92-I532 HydrophobicContact CD1-CG2 4.18Å; I92-I532 HydrophobicContact CG2-CD1 3.78Å; I92-I532 HydrophobicContact CG2-CG1 4.32Å; I92-I532 HydrophobicContact CG2-CG2 4.44Å; I92-I535 HydrophobicContact CD1-CD1 4.17Å
93A92.6Very high92.2Very high2 Ų253.9 Ų53.92%0.01726%0.263CS..Hα-helixtrans-75.8-33.2177.500000111.4V49 V88 H90 E91 L95 L96 V97V49-A93 HydrophobicContact CG2-CB 3.57Å; V88-A93 HydrophobicContact CB-CB 4.33Å; V88-A93 HydrophobicContact CG1-CB 3.27Å; H90-A93 HydrophobicContact CB-CB 4.38Å; H90-A93 WeakPolarHBondContact O-CA 3.19Å; H90-A93 WeakPolarHBondContact O-CB 3.38Å; H90-A93 PolarHBondContact O-N 3.08Å; E91-A93 PolarHBondContact O-N 3.34Å; A93-L95 VanDerWaalsContact C-N 3.25Å; A93-L95 PolarHBondContact O-N 3.41Å; A93-L96 WeakPolarHBondContact O-CB 3.23Å; A93-L96 PolarHBondContact O-N 3.09Å; A93-L96 VanDerWaalsContact O-N 3.09Å; A93-V97 VanDerWaalsContact O-CG2 3.25Å; A93-V97 WeakPolarHBondContact O-CG2 3.28Å; A93-V97 PolarHBondContact O-N 2.99Å
94K93.5Very high92.3Very high84 Ų8454.3 Ų54.337%0.36527%0.265SS..Hα-helixtrans-58.5-38167.1-62.5178.7-174.7163.80111.7V88 E89 H90 E91 V97 Q98V88-K94 WeakPolarHBondContact O-CE 3.49Å; E89-K94 WeakPolarHBondContact O-CE 3.5Å; E89-K94 PolarHBondContact O-NZ 3.44Å; H90-K94 PolarHBondContact O-N 3.3Å; H90-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 WeakPolarHBondContact O-CB 3.46Å; E91-K94 PolarHBondContact O-N 3.45Å; E91-K94 VanDerWaalsContact O-N 3.14Å; E91-K94 IonicContact OE1-NZ 3.75Å; E91-K94 PolarHBondContact OE1-NZ 2.93Å; E91-K94 IonicContact OE2-NZ 2.82Å; K94-V97 WeakPolarHBondContact O-CB 3.42Å; K94-V97 PolarHBondContact O-N 3.4Å; K94-Q98 WeakPolarHBondContact O-CG 3.33Å; K94-Q98 PolarHBondContact O-N 3.26Å
95L95.1Very high92.2Very high38 Ų3856.4 Ų56.420%0.19928%0.276CS..Hα-helixtrans-64.6-37.1173.6-63.8176.8000112.6E91 I92 A93 Q98 L99 L528 M531 I532E91-L95 PolarHBondContact O-N 2.94Å; I92-L95 HydrophobicContact CD1-CD1 4.04Å; I92-L95 WeakPolarHBondContact O-CB 3.36Å; I92-L95 PolarHBondContact O-N 3.28Å; A93-L95 VanDerWaalsContact C-N 3.25Å; A93-L95 PolarHBondContact O-N 3.41Å; L95-Q98 PolarHBondContact O-N 2.91Å; L95-L99 PolarHBondContact O-N 3.43Å; L95-L528 HydrophobicContact CB-CD1 3.92Å; L95-M531 HydrophobicContact CD1-CE 3.73Å; L95-M531 HydrophobicContact CD2-CE 3.87Å; L95-M531 HydrophobicContact CG-CE 4.28Å; L95-I532 HydrophobicContact CD1-CG1 4.43Å
96L94.6Very high92.1Very high0 Ų058.5 Ų58.50%029%0.287CS..Hα-helixtrans-67.2-35173-70.5171000112.5A46 V49 I92 A93 L99 S100 V115 A118 L528A46-L96 HydrophobicContact CB-CD1 3.8Å; V49-L96 HydrophobicContact CB-CD1 3.84Å; V49-L96 HydrophobicContact CG1-CB 4.36Å; V49-L96 HydrophobicContact CG1-CD1 3.95Å; V49-L96 HydrophobicContact CG2-CD1 4.38Å; I92-L96 PolarHBondContact O-N 3.26Å; I92-L96 VanDerWaalsContact O-N 3.14Å; A93-L96 WeakPolarHBondContact O-CB 3.23Å; A93-L96 PolarHBondContact O-N 3.09Å; A93-L96 VanDerWaalsContact O-N 3.09Å; L96-L99 HydrophobicContact CD2-CD2 4.12Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 3.01Å; L96-S100 PolarHBondContact O-N 2.94Å; L96-V115 HydrophobicContact CB-CG1 4.44Å; L96-V115 HydrophobicContact CD2-CG1 4.26Å; L96-A118 HydrophobicContact CD2-CB 4.04Å; L96-L528 HydrophobicContact CD2-CD2 3.42Å; L96-L528 VanDerWaalsContact CD2-CD2 3.42Å; L96-L528 HydrophobicContact CG-CD2 4.22Å
97V94.1Very high92.3Very high14 Ų1456.5 Ų56.59%0.08528%0.277CS..Hα-helixtrans-61.4-46.4172.1-179.10000110.3L83 D84 A93 K94 L99 S100 R101L83-V97 HydrophobicContact CB-CB 4.3Å; L83-V97 HydrophobicContact CB-CG1 4.14Å; L83-V97 HydrophobicContact CB-CG2 3.86Å; L83-V97 HydrophobicContact CD2-CG2 4.49Å; D84-V97 WeakPolarHBondContact OD1-CG1 3.48Å; A93-V97 VanDerWaalsContact O-CG2 3.25Å; A93-V97 WeakPolarHBondContact O-CG2 3.28Å; A93-V97 PolarHBondContact O-N 2.99Å; K94-V97 WeakPolarHBondContact O-CB 3.42Å; K94-V97 PolarHBondContact O-N 3.4Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.33Å; V97-S100 PolarHBondContact O-N 2.92Å; V97-R101 WeakPolarHBondContact O-CG 3.26Å; V97-R101 PolarHBondContact O-N 3.46Å
98Q94.4Very high92.2Very high111 Ų11149.3 Ų49.352%0.51924%0.239SC..Hα-helixtrans-63.5-36.9176.5-70.1177.9-5.800113.1K94 L95 R101 S102K94-Q98 WeakPolarHBondContact O-CG 3.33Å; K94-Q98 PolarHBondContact O-N 3.26Å; L95-Q98 PolarHBondContact O-N 2.91Å; Q98-R101 PolarHBondContact O-N 3.42Å; Q98-S102 WeakPolarHBondContact O-CB 3.39Å; Q98-S102 PolarHBondContact O-N 3.35Å; Q98-S102 PolarHBondContact O-OG 3.12Å
99L95.4Very high92.3Very high11 Ų1149.3 Ų49.36%0.05824%0.238CC..Hα-helixtrans-59.1-47.7173.4172.168.8000111.3L95 L96 V97 S102 Q103 V114 A118 L524 L528L95-L99 PolarHBondContact O-N 3.43Å; L96-L99 HydrophobicContact CD2-CD2 4.12Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 3.01Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.33Å; L99-S102 PolarHBondContact O-N 3.41Å; L99-Q103 PolarHBondContact O-N 3.37Å; L99-V114 HydrophobicContact CD1-CG2 3.85Å; L99-V114 HydrophobicContact CD2-CG1 4.49Å; L99-V114 HydrophobicContact CD2-CG2 4.03Å; L99-V114 HydrophobicContact CG-CG1 4.19Å; L99-V114 HydrophobicContact CG-CG2 3.97Å; L99-A118 HydrophobicContact CD2-CB 3.78Å; L99-L524 HydrophobicContact CD1-CB 3.53Å; L99-L528 HydrophobicContact CB-CD2 3.96Å; L99-L528 HydrophobicContact CD1-CB 4.44Å; L99-L528 HydrophobicContact CD2-CB 4.42Å; L99-L528 HydrophobicContact CD2-CD2 3.43Å; L99-L528 VanDerWaalsContact CD2-CD2 3.43Å; L99-L528 HydrophobicContact CG-CD2 4.18Å
100S94.4Very high92.4Very high0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-62.5-43.8178.2-169.90000112R80 L96 V97 S102 Q103 D104 T111R80-S100 VanDerWaalsContact CA-OG 3.26Å; R80-S100 WeakPolarHBondContact CA-OG 3.37Å; R80-S100 PolarHBondContact N-OG 3.36Å; L96-S100 PolarHBondContact O-N 2.94Å; V97-S100 PolarHBondContact O-N 2.92Å; S100-S102 PolarHBondContact O-N 3.2Å; S100-Q103 PolarHBondContact O-N 3.23Å; S100-D104 PolarHBondContact O-N 3.5Å; S100-D104 VanDerWaalsContact O-N 3.09Å; S100-T111 PolarHBondContact OG-O 3.14Å
101R94Very high92.5Very high101 Ų10140.4 Ų40.438%0.38120%0.2SC..Hα-helixtrans-59-44.5173.6-71.1-178.4-176.7172.48.5112.6R80 D84 V97 Q98 Q103 D104 D105R80-R101 HydrophobicContact CG-CG 4.2Å; D84-R101 VanDerWaalsContact CG-NE 3.34Å; D84-R101 VanDerWaalsContact CG-NH2 3.32Å; D84-R101 IonicContact OD1-CZ 3.33Å; D84-R101 IonicContact OD1-NE 3.34Å; D84-R101 PolarHBondContact OD1-NE 3.22Å; D84-R101 IonicContact OD1-NH2 3.01Å; D84-R101 PolarHBondContact OD1-NH2 3.49Å; D84-R101 IonicContact OD2-CZ 3.5Å; D84-R101 IonicContact OD2-NE 2.61Å; D84-R101 PolarHBondContact OD2-NE 3.15Å; D84-R101 IonicContact OD2-NH2 2.84Å; V97-R101 WeakPolarHBondContact O-CG 3.26Å; V97-R101 PolarHBondContact O-N 3.46Å; Q98-R101 PolarHBondContact O-N 3.42Å; R101-Q103 VanDerWaalsContact C-N 3.33Å; R101-Q103 PolarHBondContact O-N 3.01Å; R101-D104 PolarHBondContact O-N 3.37Å; R101-D104 VanDerWaalsContact O-N 3.17Å; R101-D105 VanDerWaalsContact O-CG 3.31Å; R101-D105 PolarHBondContact O-N 2.82Å
102S95Very high92.6Very high54 Ų5435.1 Ų35.138%0.37818%0.176SC..Hα-helixtrans-64.3-39.7-178.5-55.40000111.7Q98 L99 S100 D104 E106Q98-S102 WeakPolarHBondContact O-CB 3.39Å; Q98-S102 PolarHBondContact O-N 3.35Å; Q98-S102 PolarHBondContact O-OG 3.12Å; L99-S102 PolarHBondContact O-N 3.41Å; S100-S102 PolarHBondContact O-N 3.2Å; S102-D104 VanDerWaalsContact C-N 3.32Å; S102-E106 WeakPolarHBondContact O-CB 3.48Å; S102-E106 WeakPolarHBondContact O-CG 3.15Å; S102-E106 PolarHBondContact O-N 3.44Å; S102-E106 VanDerWaalsContact O-N 3.14Å
103Q94.4Very high92.6Very high0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-63.6-40174.4178.663.729.100111.5L99 S100 R101 I107 G108 D109 V114 Q521 L524L99-Q103 PolarHBondContact O-N 3.37Å; S100-Q103 PolarHBondContact O-N 3.23Å; R101-Q103 VanDerWaalsContact C-N 3.33Å; R101-Q103 PolarHBondContact O-N 3.01Å; Q103-I107 WeakPolarHBondContact O-CB 3.31Å; Q103-I107 PolarHBondContact O-N 3.06Å; Q103-G108 PolarHBondContact O-N 3.01Å; Q103-D109 WeakPolarHBondContact CG-O 3.44Å; Q103-D109 PolarHBondContact NE2-O 3.36Å; Q103-V114 HydrophobicContact CB-CG1 3.91Å; Q103-V114 HydrophobicContact CG-CB 4.4Å; Q103-V114 HydrophobicContact CG-CG1 4.05Å; Q103-Q521 HydrophobicContact CG-CG 4.46Å; Q103-L524 HydrophobicContact CB-CD1 4.24Å
104D93Very high92.8Very high10 Ų1035.1 Ų35.15%0.05318%0.177CC..Hα-helixtrans-69.6-45.2179.3-158.851.8000112.7R80 S100 R101 S102 E106 G108 T111R80-D104 HydrophobicContact CB-CB 4.4Å; R80-D104 WeakPolarHBondContact CD-OD2 3.22Å; R80-D104 HydrophobicContact CG-CB 4.45Å; R80-D104 IonicContact CZ-OD2 3.66Å; R80-D104 IonicContact NE-OD2 2.86Å; R80-D104 IonicContact NH1-OD2 3.87Å; R80-D104 PolarHBondContact NH1-OD2 3.21Å; S100-D104 PolarHBondContact O-N 3.5Å; S100-D104 VanDerWaalsContact O-N 3.09Å; R101-D104 PolarHBondContact O-N 3.37Å; R101-D104 VanDerWaalsContact O-N 3.17Å; S102-D104 VanDerWaalsContact C-N 3.32Å; D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.3Å; D104-G108 WeakPolarHBondContact O-CA 3.48Å; D104-G108 PolarHBondContact O-N 3.42Å; D104-T111 HydrophobicContact CB-CG2 3.62Å; D104-T111 WeakPolarHBondContact OD1-CG2 3.34Å
105D91.7Very high92.9Very high101 Ų10131.1 Ų31.154%0.5416%0.16SC..Hα-helixtrans-64.9-38.9-179.7-65.4-23.2000111.5R80 R101R80-D105 IonicContact CZ-OD1 3.06Å; R80-D105 IonicContact NH1-OD1 3.08Å; R80-D105 PolarHBondContact NH1-OD1 3.06Å; R80-D105 IonicContact NH2-OD1 2.72Å; R80-D105 PolarHBondContact NH2-OD1 2.85Å; R80-D105 IonicContact NH2-OD2 2.73Å; R101-D105 VanDerWaalsContact O-CG 3.31Å; R101-D105 PolarHBondContact O-N 2.82Å
106E89Confident92.9Very high132 Ų13229.7 Ų29.762%0.61715%0.153SC*.Hα-helixtrans-79.1-47.1-179.9-72.5-66.9153.600113S102 D104 R415S102-E106 WeakPolarHBondContact O-CB 3.48Å; S102-E106 WeakPolarHBondContact O-CG 3.15Å; S102-E106 PolarHBondContact O-N 3.44Å; S102-E106 VanDerWaalsContact O-N 3.14Å; D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.3Å; E106-R415 PolarHBondContact O-NH2 3.08Å
107I91.7Very high93Very high15 Ų1530 Ų308%0.07716%0.155CC..THydrogen-bonded Turntrans-113.5-37.7-169.9-58.5-59.1000112.4Q103 D109 C412 R415 N416 A520Q103-I107 WeakPolarHBondContact O-CB 3.31Å; Q103-I107 PolarHBondContact O-N 3.06Å; I107-D109 VanDerWaalsContact C-N 3.31Å; I107-C412 WeakPolarHBondContact O-CB 3.48Å; I107-R415 PolarHBondContact O-NH2 3.2Å; I107-N416 WeakPolarHBondContact CG2-ND2 3.47Å; I107-N416 PolarHBondContact O-ND2 3.39Å; I107-A520 HydrophobicContact CD1-CB 3.97Å; I107-A520 HydrophobicContact CG1-CB 3.64Å
108G86.8Confident93.2Very high0 Ų029.4 Ų29.40%015%0.151CC..SBendtrans74.912.4-176.500000115.3Q103 D104 D409Q103-G108 PolarHBondContact O-N 3.01Å; D104-G108 WeakPolarHBondContact O-CA 3.48Å; D104-G108 PolarHBondContact O-N 3.42Å; G108-D409 WeakPolarHBondContact O-CA 3.48Å; G108-D409 WeakPolarHBondContact O-CB 3.47Å
109D87.8Confident93.2Very high31 Ų3124.2 Ų24.217%0.16613%0.127CC..SBendtrans-150.1160.1172.7-166.311.6000109.6Q103 I107 T177 V413Q103-D109 WeakPolarHBondContact CG-O 3.44Å; Q103-D109 PolarHBondContact NE2-O 3.36Å; I107-D109 VanDerWaalsContact C-N 3.31Å; D109-T177 WeakPolarHBondContact OD2-CG2 3.43Å; D109-T177 PolarHBondContact OD2-OG1 3.38Å; D109-V413 HydrophobicContact CB-CG2 3.67Å
110G89.3Confident93.3Very high11 Ų1124.2 Ų24.211%0.11313%0.128CC..  trans80.517-179.800000114.9T112 G113 V114G110-T112 VanDerWaalsContact C-N 3.33Å; G110-T112 PolarHBondContact O-N 3.01Å; G110-G113 PolarHBondContact O-N 3.41Å; G110-V114 PolarHBondContact O-N 3.17Å
111T92.6Very high93.4Very high8 Ų824.2 Ų24.25%0.04913%0.128CC..Hα-helixtrans-57.5-42.8178.357.50000112.2D78 G79 R80 S100 D104 V114D78-T111 PolarHBondContact OD1-OG1 3.43Å; G79-T111 PolarHBondContact N-OG1 2.89Å; R80-T111 HydrophobicContact CB-CG2 4.06Å; S100-T111 PolarHBondContact OG-O 3.14Å; D104-T111 HydrophobicContact CB-CG2 3.62Å; D104-T111 WeakPolarHBondContact OD1-CG2 3.34Å; T111-V114 WeakPolarHBondContact O-CG1 3.49Å
112T93.1Very high93.5Very high12 Ų1219.4 Ų19.47%0.07411%0.11CC..Hα-helixtrans-71.9-42.9175.6-50.10000111.7L53 L57 G79 G110 V114 V115 V116L53-T112 HydrophobicContact CB-CG2 4.12Å; L57-T112 HydrophobicContact CB-CG2 4.33Å; L57-T112 HydrophobicContact CD1-CG2 4.13Å; G79-T112 WeakPolarHBondContact CA-OG1 3.27Å; G79-T112 PolarHBondContact N-OG1 3.39Å; G110-T112 VanDerWaalsContact C-N 3.33Å; G110-T112 PolarHBondContact O-N 3.01Å; T112-V114 PolarHBondContact O-N 2.98Å; T112-V115 PolarHBondContact O-N 3.31Å; T112-V116 WeakPolarHBondContact O-CG2 3.42Å; T112-V116 PolarHBondContact O-N 3.03Å
113G93.2Very high93.6Very high5 Ų520 Ų205%0.05211%0.107CC..Hα-helixtrans-63.3-42.6-175.900000113.1G110 V115 V116 L117G110-G113 PolarHBondContact O-N 3.41Å; G113-V115 VanDerWaalsContact C-N 3.31Å; G113-V115 PolarHBondContact O-N 3.02Å; G113-V116 PolarHBondContact O-N 3.43Å; G113-L117 WeakPolarHBondContact O-CB 3.46Å; G113-L117 PolarHBondContact O-N 2.94Å
114V95.6Very high93.6Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-62.8-37.4-179.371.10000112.4L99 Q103 G110 T111 T112 A118 Q521 L524 A525L99-V114 HydrophobicContact CD1-CG2 3.85Å; L99-V114 HydrophobicContact CD2-CG1 4.49Å; L99-V114 HydrophobicContact CD2-CG2 4.03Å; L99-V114 HydrophobicContact CG-CG1 4.19Å; L99-V114 HydrophobicContact CG-CG2 3.97Å; Q103-V114 HydrophobicContact CB-CG1 3.91Å; Q103-V114 HydrophobicContact CG-CB 4.4Å; Q103-V114 HydrophobicContact CG-CG1 4.05Å; G110-V114 PolarHBondContact O-N 3.17Å; T111-V114 WeakPolarHBondContact O-CG1 3.49Å; T112-V114 PolarHBondContact O-N 2.98Å; V114-A118 WeakPolarHBondContact O-CB 3.3Å; V114-A118 PolarHBondContact O-N 3.12Å; V114-Q521 HydrophobicContact CB-CB 4.31Å; V114-Q521 HydrophobicContact CB-CG 4.18Å; V114-Q521 HydrophobicContact CG2-CB 4.38Å; V114-Q521 WeakPolarHBondContact CG2-O 3.23Å; V114-L524 HydrophobicContact CG2-CB 4.21Å; V114-A525 HydrophobicContact CG2-CB 4.28Å
115V96.1Very high93.7Very high0 Ų021.1 Ų21.10%011%0.112CC..Hα-helixtrans-74.1-40.1179.5-179.70000111.1V49 L53 L83 L96 T112 G113 L117 A118 G119V49-V115 HydrophobicContact CG1-CG1 4.3Å; L53-V115 HydrophobicContact CD1-CB 3.83Å; L53-V115 HydrophobicContact CD1-CG1 3.76Å; L53-V115 HydrophobicContact CD1-CG2 4.17Å; L83-V115 HydrophobicContact CD1-CG1 4.38Å; L83-V115 HydrophobicContact CD1-CG2 3.81Å; L96-V115 HydrophobicContact CB-CG1 4.44Å; L96-V115 HydrophobicContact CD2-CG1 4.26Å; T112-V115 PolarHBondContact O-N 3.31Å; G113-V115 VanDerWaalsContact C-N 3.31Å; G113-V115 PolarHBondContact O-N 3.02Å; V115-L117 VanDerWaalsContact C-N 3.34Å; V115-A118 PolarHBondContact O-N 3.03Å; V115-G119 PolarHBondContact O-N 3.36Å
116V95.8Very high93.9Very high8 Ų818.7 Ų18.75%0.04810%0.097CC..Hα-helixtrans-62.9-43.2175175.70000110.6T112 G113 G119 A120 I463T112-V116 WeakPolarHBondContact O-CG2 3.42Å; T112-V116 PolarHBondContact O-N 3.03Å; G113-V116 PolarHBondContact O-N 3.43Å; V116-G119 PolarHBondContact O-N 3.35Å; V116-A120 WeakPolarHBondContact O-CB 3.44Å; V116-A120 PolarHBondContact O-N 2.74Å; V116-I463 HydrophobicContact CB-CD1 4.01Å; V116-I463 HydrophobicContact CG1-CD1 3.8Å
117L96.4Very high94.1Very high7 Ų716.7 Ų16.74%0.0379%0.088CC..Hα-helixtrans-63.7-45176.4-178.561.2000111.9G113 V115 G119 A120 L121 L460 I463 I522 A525G113-L117 WeakPolarHBondContact O-CB 3.46Å; G113-L117 PolarHBondContact O-N 2.94Å; V115-L117 VanDerWaalsContact C-N 3.34Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-G119 PolarHBondContact O-N 3.24Å; L117-A120 PolarHBondContact O-N 3.13Å; L117-L121 HydrophobicContact CD1-CG 4.45Å; L117-L121 HydrophobicContact CG-CD1 4.22Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 2.79Å; L117-L460 HydrophobicContact CD1-CD2 4.01Å; L117-I463 HydrophobicContact CB-CD1 4.43Å; L117-I522 HydrophobicContact CD2-CG1 3.87Å; L117-A525 HydrophobicContact CB-CB 4.34Å; L117-A525 HydrophobicContact CD2-CB 3.95Å; L117-A525 HydrophobicContact CG-CB 4.01Å
118A96.7Very high94.3Very high0 Ų016.2 Ų16.20%09%0.086CC..Hα-helixtrans-61.6-41.1176.500000112.2L96 L99 V114 V115 L121 L122 A525 L528L96-A118 HydrophobicContact CD2-CB 4.04Å; L99-A118 HydrophobicContact CD2-CB 3.78Å; V114-A118 WeakPolarHBondContact O-CB 3.3Å; V114-A118 PolarHBondContact O-N 3.12Å; V115-A118 PolarHBondContact O-N 3.03Å; A118-L121 PolarHBondContact O-N 2.61Å; A118-L122 WeakPolarHBondContact O-CG 3.41Å; A118-L122 PolarHBondContact O-N 3.21Å; A118-L122 VanDerWaalsContact O-N 3.12Å; A118-A525 HydrophobicContact CB-CB 4.11Å; A118-L528 HydrophobicContact CB-CD2 4.43Å
119G96.3Very high94.6Very high2 Ų216.8 Ų16.82%0.0219%0.089CC..Hα-helixtrans-62.2-43.9174.400000112.8V115 V116 L117 L122 E123V115-G119 PolarHBondContact O-N 3.36Å; V116-G119 PolarHBondContact O-N 3.35Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-G119 PolarHBondContact O-N 3.24Å; G119-L122 PolarHBondContact O-N 2.77Å; G119-E123 WeakPolarHBondContact O-CB 3.4Å; G119-E123 PolarHBondContact O-N 3.08Å
120A96.4Very high94.8Very high11 Ų1120 Ų209%0.09111%0.106CC..Hα-helixtrans-64.7-41.5177.600000112.4V116 L117 L122 E123 Q124 A459 A462V116-A120 WeakPolarHBondContact O-CB 3.44Å; V116-A120 PolarHBondContact O-N 2.74Å; L117-A120 PolarHBondContact O-N 3.13Å; A120-L122 VanDerWaalsContact C-N 3.33Å; A120-L122 PolarHBondContact O-N 3.43Å; A120-E123 PolarHBondContact O-N 2.9Å; A120-Q124 WeakPolarHBondContact O-CG 3.27Å; A120-Q124 PolarHBondContact O-N 3.19Å; A120-A459 HydrophobicContact CB-CB 4.16Å; A120-A462 HydrophobicContact CB-CB 3.48Å; A120-A462 VanDerWaalsContact CB-CB 3.48Å
121L97.1Very high95Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-61.8-40.2176.2-75.3170.9000112.4L117 A118 A125 Y142 F456 A459 A525 V526 C529L117-L121 HydrophobicContact CD1-CG 4.45Å; L117-L121 HydrophobicContact CG-CD1 4.22Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 2.79Å; A118-L121 PolarHBondContact O-N 2.61Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.49Å; L121-Y142 HydrophobicContact CB-CE2 4.09Å; L121-Y142 HydrophobicContact CD2-CD2 4.3Å; L121-Y142 HydrophobicContact CD2-CE2 4.06Å; L121-Y142 WeakPolarHBondContact O-CE2 3.32Å; L121-Y142 PolarHBondContact O-OH 3.37Å; L121-F456 HydrophobicContact CD1-CE2 4.14Å; L121-F456 HydrophobicContact CD2-CD2 3.27Å; L121-F456 HydrophobicContact CD2-CE2 3.56Å; L121-F456 HydrophobicContact CD2-CG 4.11Å; L121-F456 HydrophobicContact CG-CE2 4.49Å; L121-A459 HydrophobicContact CD2-CB 3.58Å; L121-A459 HydrophobicContact CG-CB 4Å; L121-A525 HydrophobicContact CD1-CB 4.11Å; L121-V526 HydrophobicContact CD1-CG2 4.21Å; L121-C529 VanDerWaalsContact CB-SG 3.51Å
122L96.3Very high94.9Very high0 Ų028.9 Ų28.90%016%0.159CC..Hα-helixtrans-70.2-39.1176.5-72.5171.1000112.1I43 A46 A118 G119 A120 A125 E126 C529 I532 L533I43-L122 HydrophobicContact CG1-CB 4.17Å; I43-L122 HydrophobicContact CG1-CD2 4.34Å; I43-L122 HydrophobicContact CG2-CB 4.16Å; I43-L122 WeakPolarHBondContact CG2-O 3.49Å; A46-L122 HydrophobicContact CB-CD1 3.35Å; A118-L122 WeakPolarHBondContact O-CG 3.41Å; A118-L122 PolarHBondContact O-N 3.21Å; A118-L122 VanDerWaalsContact O-N 3.12Å; G119-L122 PolarHBondContact O-N 2.77Å; A120-L122 VanDerWaalsContact C-N 3.33Å; A120-L122 PolarHBondContact O-N 3.43Å; L122-A125 WeakPolarHBondContact O-CB 3.47Å; L122-A125 PolarHBondContact O-N 3.17Å; L122-E126 PolarHBondContact O-N 2.71Å; L122-C529 HydrophobicContact CD2-CB 4.35Å; L122-I532 HydrophobicContact CD1-CD1 3.73Å; L122-I532 HydrophobicContact CD1-CG2 4.46Å; L122-I532 HydrophobicContact CD2-CB 4.21Å; L122-I532 HydrophobicContact CD2-CG2 3.94Å; L122-L533 HydrophobicContact CD2-CG 4.44Å
123E96Very high94.9Very high67 Ų6729.4 Ų29.431%0.31316%0.161SC..Hα-helixtrans-61.4-43.4173.6176166.9-16000111.8K47 G119 A120 A125 E126K47-E123 HydrophobicContact CD-CG 4.39Å; K47-E123 VanDerWaalsContact CE-OE1 3.32Å; K47-E123 WeakPolarHBondContact CE-OE1 3.45Å; K47-E123 IonicContact NZ-OE1 3.78Å; K47-E123 PolarHBondContact NZ-OE1 3.39Å; K47-E123 IonicContact NZ-OE2 3.95Å; G119-E123 WeakPolarHBondContact O-CB 3.4Å; G119-E123 PolarHBondContact O-N 3.08Å; A120-E123 PolarHBondContact O-N 2.9Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 2.88Å; E123-E126 WeakPolarHBondContact O-CB 3.3Å; E123-E126 PolarHBondContact O-N 2.89Å
124Q95.6Very high94.9Very high34 Ų3434.6 Ų34.616%0.15918%0.184CC..Hα-helixtrans-68-32.8175.1-66.6-63.2-11.200112.1A120 E126 Q127 L128 A455 A459A120-Q124 WeakPolarHBondContact O-CG 3.27Å; A120-Q124 PolarHBondContact O-N 3.19Å; Q124-E126 VanDerWaalsContact C-N 3.32Å; Q124-E126 PolarHBondContact O-N 3.08Å; Q124-Q127 PolarHBondContact O-N 3.2Å; Q124-L128 PolarHBondContact O-N 3.48Å; Q124-A455 HydrophobicContact CB-CB 4.09Å; Q124-A455 WeakPolarHBondContact CG-O 3.48Å; Q124-A459 HydrophobicContact CG-CB 3.95Å
125A95.2Very high94.7Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-65.4-35174.500000111.9L121 L122 E123 Q127 L128 L129 I138 Y142 L533L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.49Å; L122-A125 WeakPolarHBondContact O-CB 3.47Å; L122-A125 PolarHBondContact O-N 3.17Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 2.88Å; A125-Q127 VanDerWaalsContact C-N 3.29Å; A125-Q127 PolarHBondContact O-N 2.9Å; A125-L128 PolarHBondContact O-N 3.44Å; A125-L128 VanDerWaalsContact O-N 3.12Å; A125-L129 VanDerWaalsContact O-CG 3.32Å; A125-L129 WeakPolarHBondContact O-CG 3.15Å; A125-L129 PolarHBondContact O-N 3.26Å; A125-I138 HydrophobicContact CB-CG2 4.07Å; A125-Y142 HydrophobicContact CB-CE2 4.29Å; A125-Y142 PolarHBondContact N-OH 3.02Å; A125-L533 HydrophobicContact CB-CD1 4.29Å; A125-L533 HydrophobicContact CB-CD2 4.05Å
126E94.8Very high94.6Very high49 Ų4939.2 Ų39.223%0.22921%0.209CC..Hα-helixtrans-55.7-44.6175.4-169.3176.6-168.200111.8I43 L122 E123 Q124 L128 L129 D130I43-E126 HydrophobicContact CD1-CB 3.94Å; I43-E126 HydrophobicContact CD1-CG 4.47Å; I43-E126 HydrophobicContact CG2-CB 4.15Å; L122-E126 PolarHBondContact O-N 2.71Å; E123-E126 WeakPolarHBondContact O-CB 3.3Å; E123-E126 PolarHBondContact O-N 2.89Å; Q124-E126 VanDerWaalsContact C-N 3.32Å; Q124-E126 PolarHBondContact O-N 3.08Å; E126-L128 VanDerWaalsContact C-N 3.27Å; E126-L128 PolarHBondContact O-N 2.9Å; E126-L129 PolarHBondContact O-N 3.27Å; E126-D130 PolarHBondContact O-N 3.42Å
127Q94.2Very high94.4Very high90 Ų9045.2 Ų45.242%0.42123%0.231SC..Hα-helixtrans-64.1-33.2179.5-58.1-176.223.100112.5Q124 A125 K131Q124-Q127 PolarHBondContact O-N 3.2Å; A125-Q127 VanDerWaalsContact C-N 3.29Å; A125-Q127 PolarHBondContact O-N 2.9Å; Q127-K131 WeakPolarHBondContact O-CG 3.32Å; Q127-K131 PolarHBondContact O-N 3.09Å
128L94.2Very high94.3Very high6 Ų644.9 Ų44.93%0.03123%0.229CC..Hα-helixtrans-75.5-37.9176.1-63.8-179.3000111.8Q124 A125 E126 D130 K131 G132 L133 I138 A452 A455Q124-L128 PolarHBondContact O-N 3.48Å; A125-L128 PolarHBondContact O-N 3.44Å; A125-L128 VanDerWaalsContact O-N 3.12Å; E126-L128 VanDerWaalsContact C-N 3.27Å; E126-L128 PolarHBondContact O-N 2.9Å; L128-D130 VanDerWaalsContact C-N 3.3Å; L128-D130 PolarHBondContact O-N 3.28Å; L128-K131 PolarHBondContact O-N 3.04Å; L128-G132 PolarHBondContact O-N 3.46Å; L128-L133 HydrophobicContact CB-CB 4.38Å; L128-L133 HydrophobicContact CB-CD2 4.38Å; L128-L133 HydrophobicContact CD2-CD2 4.34Å; L128-L133 WeakPolarHBondContact O-CB 3.47Å; L128-L133 PolarHBondContact O-N 3.49Å; L128-L133 VanDerWaalsContact O-N 3.1Å; L128-I138 HydrophobicContact CB-CD1 3.6Å; L128-I138 HydrophobicContact CB-CG1 4.08Å; L128-I138 HydrophobicContact CD1-CD1 4.37Å; L128-I138 HydrophobicContact CD1-CG1 4.08Å; L128-I138 HydrophobicContact CD1-CG2 4.01Å; L128-A452 HydrophobicContact CD1-CB 4.33Å; L128-A455 HydrophobicContact CD1-CB 3.66Å; L128-A455 HydrophobicContact CD2-CB 4.49Å; L128-A455 HydrophobicContact CG-CB 4.2Å
129L93.5Very high94.2Very high11 Ų1144.9 Ų44.96%0.05823%0.229CC..Hα-helixtrans-61.3-40.5173.9-68.2174.4000111.2H39 I43 A125 E126 K131 G132 P135 I138 L533H39-L129 HydrophobicContact CB-CD1 3.87Å; I43-L129 HydrophobicContact CD1-CD1 3.79Å; A125-L129 VanDerWaalsContact O-CG 3.32Å; A125-L129 WeakPolarHBondContact O-CG 3.15Å; A125-L129 PolarHBondContact O-N 3.26Å; E126-L129 PolarHBondContact O-N 3.27Å; L129-K131 VanDerWaalsContact C-N 3.26Å; L129-K131 PolarHBondContact O-N 2.94Å; L129-G132 WeakPolarHBondContact O-CA 3.48Å; L129-G132 PolarHBondContact O-N 3.01Å; L129-P135 HydrophobicContact CD2-CB 4.2Å; L129-P135 HydrophobicContact CD2-CG 3.67Å; L129-I138 HydrophobicContact CD2-CD1 3.74Å; L129-I138 HydrophobicContact CG-CD1 3.98Å; L129-L533 HydrophobicContact CD1-CD2 4.45Å
130D93.3Very high94Very high99 Ų9947.3 Ų47.353%0.52924%0.242SC..Hα-helixtrans-66.7-26.7176.5-79.6-15.6000113.3K40 E126 L128 G132K40-D130 WeakPolarHBondContact CE-OD1 3.4Å; K40-D130 VanDerWaalsContact NZ-CG 3.32Å; K40-D130 IonicContact NZ-OD1 2.74Å; K40-D130 PolarHBondContact NZ-OD1 3.42Å; K40-D130 IonicContact NZ-OD2 3.12Å; K40-D130 PolarHBondContact NZ-OD2 3.14Å; K40-D130 VanDerWaalsContact NZ-OD2 3.17Å; E126-D130 PolarHBondContact O-N 3.42Å; L128-D130 VanDerWaalsContact C-N 3.3Å; L128-D130 PolarHBondContact O-N 3.28Å; D130-G132 PolarHBondContact O-N 3.15Å
131K92.5Very high93.9Very high140 Ų14046.8 Ų46.861%0.60924%0.237SC*.THydrogen-bonded Turntrans-79.70.4170.8-68.1172.6-173.2172.80113.3Q127 L128 L129 L133Q127-K131 WeakPolarHBondContact O-CG 3.32Å; Q127-K131 PolarHBondContact O-N 3.09Å; L128-K131 PolarHBondContact O-N 3.04Å; L129-K131 VanDerWaalsContact C-N 3.26Å; L129-K131 PolarHBondContact O-N 2.94Å; K131-L133 HydrophobicContact CB-CD1 3.91Å
132G91.3Very high93.9Very high65 Ų6546.9 Ų46.967%0.6724%0.238SC*.THydrogen-bonded Turntrans84.515.8177.500000115L128 L129 D130L128-G132 PolarHBondContact O-N 3.46Å; L129-G132 WeakPolarHBondContact O-CA 3.48Å; L129-G132 PolarHBondContact O-N 3.01Å; D130-G132 PolarHBondContact O-N 3.15Å
133L92.2Very high93.8Very high23 Ų2349.9 Ų49.912%0.1225%0.252CS..  trans-72.8139.3173.4-79.777.1000110.5L128 K131 I138L128-L133 HydrophobicContact CB-CB 4.38Å; L128-L133 HydrophobicContact CB-CD2 4.38Å; L128-L133 HydrophobicContact CD2-CD2 4.34Å; L128-L133 WeakPolarHBondContact O-CB 3.47Å; L128-L133 PolarHBondContact O-N 3.49Å; L128-L133 VanDerWaalsContact O-N 3.1Å; K131-L133 HydrophobicContact CB-CD1 3.91Å; L133-I138 HydrophobicContact CB-CD1 4.13Å; L133-I138 HydrophobicContact CB-CG1 4.07Å; L133-I138 HydrophobicContact CD2-CG1 4.5Å
134H92.6Very high93.7Very high114 Ų11450 Ų5053%0.52825%0.254SS..  trans-71.3134.3178.2-168.3-83.2000111.1I136 R137 I138H134-I136 VanDerWaalsContact C-N 3.28Å; H134-I136 PolarHBondContact ND1-N 3.12Å; H134-I136 PolarHBondContact O-N 2.79Å; H134-I136 VanDerWaalsContact O-N 3.14Å; H134-R137 HydrophobicContact CB-CG 4.27Å; H134-R137 WeakPolarHBondContact O-CB 3.38Å; H134-R137 PolarHBondContact O-N 3.07Å; H134-I138 PolarHBondContact O-N 3.37Å
135P92.9Very high93.7Very high17 Ų1748.3 Ų48.311%0.1125%0.246CC..Hα-helixtrans-51.8-41.1-177-23.525.5000114.6H39 L129 R137 I138 A139 L533H39-P135 WeakPolarHBondContact NE2-CG 3.36Å; L129-P135 HydrophobicContact CD2-CB 4.2Å; L129-P135 HydrophobicContact CD2-CG 3.67Å; P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.2Å; P135-I138 WeakPolarHBondContact O-CB 3.48Å; P135-I138 PolarHBondContact O-N 3.36Å; P135-A139 PolarHBondContact O-N 3.21Å; P135-L533 HydrophobicContact CB-CB 4.25Å; P135-L533 VanDerWaalsContact CB-O 3.22Å; P135-L533 WeakPolarHBondContact CB-O 3.47Å
136I92.5Very high93.8Very high80 Ų8048.6 Ų48.641%0.4125%0.249SC..Hα-helixtrans-61.7-39.6178-60.4175.9000111.8H134 I138 A139 D140H134-I136 VanDerWaalsContact C-N 3.28Å; H134-I136 PolarHBondContact ND1-N 3.12Å; H134-I136 PolarHBondContact O-N 2.79Å; H134-I136 VanDerWaalsContact O-N 3.14Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 2.86Å; I136-A139 PolarHBondContact O-N 3.21Å; I136-D140 VanDerWaalsContact O-CG 3.3Å; I136-D140 PolarHBondContact O-N 2.91Å
137R92.7Very high93.8Very high134 Ų13451.5 Ų51.551%0.50626%0.26SS..Hα-helixtrans-68.5-35.2179.1-67.4-66.1-171.3169.5-0.1111.9H134 P135 G141H134-R137 HydrophobicContact CB-CG 4.27Å; H134-R137 WeakPolarHBondContact O-CB 3.38Å; H134-R137 PolarHBondContact O-N 3.07Å; P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.2Å; R137-G141 PolarHBondContact O-N 3.1Å
138I94.5Very high93.8Very high0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-63.1-46.9172.6-59.4168.3000109.4A125 L128 L129 L133 H134 P135 I136 D140 G141 Y142 L533A125-I138 HydrophobicContact CB-CG2 4.07Å; L128-I138 HydrophobicContact CB-CD1 3.6Å; L128-I138 HydrophobicContact CB-CG1 4.08Å; L128-I138 HydrophobicContact CD1-CD1 4.37Å; L128-I138 HydrophobicContact CD1-CG1 4.08Å; L128-I138 HydrophobicContact CD1-CG2 4.01Å; L129-I138 HydrophobicContact CD2-CD1 3.74Å; L129-I138 HydrophobicContact CG-CD1 3.98Å; L133-I138 HydrophobicContact CB-CD1 4.13Å; L133-I138 HydrophobicContact CB-CG1 4.07Å; L133-I138 HydrophobicContact CD2-CG1 4.5Å; H134-I138 PolarHBondContact O-N 3.37Å; P135-I138 WeakPolarHBondContact O-CB 3.48Å; P135-I138 PolarHBondContact O-N 3.36Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 2.86Å; I138-D140 PolarHBondContact O-N 2.82Å; I138-G141 PolarHBondContact O-N 3.37Å; I138-Y142 HydrophobicContact CG2-CD1 4.35Å; I138-Y142 HydrophobicContact CG2-CD2 4.34Å; I138-Y142 HydrophobicContact CG2-CE1 3.98Å; I138-Y142 HydrophobicContact CG2-CE2 3.99Å; I138-Y142 PolarHBondContact O-N 2.95Å; I138-L533 HydrophobicContact CB-CD1 4.34Å; I138-L533 HydrophobicContact CG2-CD1 4Å
139A94.3Very high93.8Very high1 Ų149.2 Ų49.21%0.00825%0.249CC..Hα-helixtrans-62.8-40.818000000113.2P135 I136 Y142 E143 K530 L533P135-A139 PolarHBondContact O-N 3.21Å; I136-A139 PolarHBondContact O-N 3.21Å; A139-Y142 PolarHBondContact O-N 3.43Å; A139-E143 PolarHBondContact O-N 3.4Å; A139-E143 VanDerWaalsContact O-N 3.09Å; A139-K530 HydrophobicContact CB-CB 4.18Å; A139-K530 HydrophobicContact CB-CG 3.99Å; A139-L533 HydrophobicContact CB-CD1 4.3Å
140D93Very high93.9Very high53 Ų5349.6 Ų49.628%0.28325%0.252SS..Hα-helixtrans-66.5-41.4176-66.1-24.3000111.1I136 I138 Y142 E143 L144I136-D140 VanDerWaalsContact O-CG 3.3Å; I136-D140 PolarHBondContact O-N 2.91Å; I138-D140 PolarHBondContact O-N 2.82Å; D140-Y142 PolarHBondContact O-N 3.48Å; D140-E143 PolarHBondContact O-N 3.18Å; D140-L144 PolarHBondContact O-N 2.98Å; D140-L144 VanDerWaalsContact O-N 3.08Å
141G94Very high94Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-63.1-38.6174.400000113.5R137 I138 E143 L144 A145R137-G141 PolarHBondContact O-N 3.1Å; I138-G141 PolarHBondContact O-N 3.37Å; G141-E143 VanDerWaalsContact C-N 3.34Å; G141-L144 PolarHBondContact O-N 3.24Å; G141-A145 WeakPolarHBondContact O-CB 3.48Å; G141-A145 PolarHBondContact O-N 3.12Å
142Y96.1Very high94.1Very high2 Ų241.4 Ų41.41%0.00822%0.219CC..Hα-helixtrans-65.1-36.4173-75.20.2000112.3L121 A125 I138 A139 D140 A145 A146 A452 A455 F456L121-Y142 HydrophobicContact CB-CE2 4.09Å; L121-Y142 HydrophobicContact CD2-CD2 4.3Å; L121-Y142 HydrophobicContact CD2-CE2 4.06Å; L121-Y142 WeakPolarHBondContact O-CE2 3.32Å; L121-Y142 PolarHBondContact O-OH 3.37Å; A125-Y142 HydrophobicContact CB-CE2 4.29Å; A125-Y142 PolarHBondContact N-OH 3.02Å; I138-Y142 HydrophobicContact CG2-CD1 4.35Å; I138-Y142 HydrophobicContact CG2-CD2 4.34Å; I138-Y142 HydrophobicContact CG2-CE1 3.98Å; I138-Y142 HydrophobicContact CG2-CE2 3.99Å; I138-Y142 PolarHBondContact O-N 2.95Å; A139-Y142 PolarHBondContact O-N 3.43Å; D140-Y142 PolarHBondContact O-N 3.48Å; Y142-A145 PolarHBondContact O-N 2.96Å; Y142-A146 VanDerWaalsContact O-CB 3.3Å; Y142-A146 WeakPolarHBondContact O-CB 3.33Å; Y142-A146 PolarHBondContact O-N 3.46Å; Y142-A452 HydrophobicContact CD1-CB 4.31Å; Y142-A452 WeakPolarHBondContact CD1-O 3.38Å; Y142-A452 HydrophobicContact CE1-CB 4.47Å; Y142-A452 VanDerWaalsContact CE1-O 3.27Å; Y142-A452 WeakPolarHBondContact CE1-O 3.13Å; Y142-A455 HydrophobicContact CE1-CB 4.24Å; Y142-F456 HydrophobicContact CD1-CB 3.98Å; Y142-F456 HydrophobicContact CD1-CD2 4.07Å; Y142-F456 HydrophobicContact CE1-CB 4.13Å; Y142-F456 HydrophobicContact CG-CD2 4.15Å
143E95Very high94.3Very high62 Ų6238.3 Ų38.329%0.2919%0.187SC..Hα-helixtrans-66.5-40.1176-169.6-176.8151.500112A139 D140 G141 A146 K147 K530A139-E143 PolarHBondContact O-N 3.4Å; A139-E143 VanDerWaalsContact O-N 3.09Å; D140-E143 PolarHBondContact O-N 3.18Å; G141-E143 VanDerWaalsContact C-N 3.34Å; E143-A146 PolarHBondContact O-N 2.94Å; E143-K147 WeakPolarHBondContact O-CG 3.24Å; E143-K147 PolarHBondContact O-N 3.44Å; E143-K147 VanDerWaalsContact O-N 3.08Å; E143-K147 WeakPolarHBondContact OE1-CE 3.27Å; E143-K147 IonicContact OE1-NZ 2.74Å; E143-K147 PolarHBondContact OE1-NZ 3.46Å; E143-K530 IonicContact OE2-NZ 3.68Å; E143-K530 PolarHBondContact OE2-NZ 3.4Å
144L94.1Very high94.3Very high69 Ų6941.2 Ų41.236%0.36120%0.2SC..Hα-helixtrans-63.5-46.8174.1-69.1172.6000111.4D140 G141 A146 K147 H148 E449D140-L144 PolarHBondContact O-N 2.98Å; D140-L144 VanDerWaalsContact O-N 3.08Å; G141-L144 PolarHBondContact O-N 3.24Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 2.78Å; L144-K147 PolarHBondContact O-N 2.7Å; L144-H148 PolarHBondContact O-N 3.23Å; L144-H148 VanDerWaalsContact O-N 3.16Å; L144-E449 WeakPolarHBondContact CD1-OE2 3.4Å
145A95.6Very high94.4Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-58.3-42.8175.500000112.1G141 Y142 H148 C149 V438 M453 F456G141-A145 WeakPolarHBondContact O-CB 3.48Å; G141-A145 PolarHBondContact O-N 3.12Å; Y142-A145 PolarHBondContact O-N 2.96Å; A145-H148 PolarHBondContact O-N 3.02Å; A145-C149 VanDerWaalsContact O-CB 3.27Å; A145-C149 WeakPolarHBondContact O-CB 3.31Å; A145-C149 PolarHBondContact O-N 3.46Å; A145-V438 HydrophobicContact CB-CG1 3.94Å; A145-M453 HydrophobicContact CB-CG 4.12Å; A145-F456 HydrophobicContact CB-CB 3.76Å; A145-F456 HydrophobicContact CB-CD1 3.53Å; A145-F456 HydrophobicContact CB-CD2 4.03Å; A145-F456 HydrophobicContact CB-CE1 4.1Å; A145-F456 HydrophobicContact CB-CG 3.48Å; A145-F456 VanDerWaalsContact CB-CG 3.48Å
146A95.6Very high94.3Very high6 Ų644.2 Ų44.25%0.0521%0.214CC..Hα-helixtrans-62.3-44178.200000112.2Y142 E143 L144 H148 C149 L150 F456 I522 V526Y142-A146 VanDerWaalsContact O-CB 3.3Å; Y142-A146 WeakPolarHBondContact O-CB 3.33Å; Y142-A146 PolarHBondContact O-N 3.46Å; E143-A146 PolarHBondContact O-N 2.94Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 2.78Å; A146-H148 VanDerWaalsContact C-N 3.33Å; A146-H148 PolarHBondContact O-N 3.28Å; A146-C149 WeakPolarHBondContact O-CB 3.22Å; A146-C149 PolarHBondContact O-N 3.35Å; A146-L150 VanDerWaalsContact O-CG 3.28Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 3.34Å; A146-F456 HydrophobicContact CB-CZ 4.47Å; A146-I522 HydrophobicContact CB-CG2 4.24Å; A146-V526 HydrophobicContact CB-CB 4.3Å; A146-V526 HydrophobicContact CB-CG1 4.11Å; A146-V526 HydrophobicContact CB-CG2 3.74Å
147K95.5Very high94.3Very high109 Ų10941.4 Ų41.447%0.47420%0.201SC..Hα-helixtrans-61.2-41.8177.3-73.1171.4-174.9163.50112E143 L144 L150 S151E143-K147 WeakPolarHBondContact O-CG 3.24Å; E143-K147 PolarHBondContact O-N 3.44Å; E143-K147 VanDerWaalsContact O-N 3.08Å; E143-K147 WeakPolarHBondContact OE1-CE 3.27Å; E143-K147 IonicContact OE1-NZ 2.74Å; E143-K147 PolarHBondContact OE1-NZ 3.46Å; L144-K147 PolarHBondContact O-N 2.7Å; K147-L150 PolarHBondContact O-N 3.31Å; K147-S151 PolarHBondContact O-N 2.95Å; K147-S151 PolarHBondContact O-OG 2.98Å
148H94.8Very high94.2Very high48 Ų4837.3 Ų37.322%0.22219%0.191CC..Hα-helixtrans-66.5-43175.8-173.375.9000111.8L144 A145 A146 L150 S151 T152 S437 E441L144-H148 PolarHBondContact O-N 3.23Å; L144-H148 VanDerWaalsContact O-N 3.16Å; A145-H148 PolarHBondContact O-N 3.02Å; A146-H148 VanDerWaalsContact C-N 3.33Å; A146-H148 PolarHBondContact O-N 3.28Å; H148-L150 PolarHBondContact O-N 3.21Å; H148-S151 WeakPolarHBondContact O-CB 3.25Å; H148-S151 PolarHBondContact O-N 3.12Å; H148-T152 PolarHBondContact O-N 2.66Å; H148-T152 PolarHBondContact O-OG1 3.3Å; H148-S437 PolarHBondContact NE2-O 3.48Å; H148-S437 PolarHBondContact NE2-OG 3.39Å; H148-E441 IonicContact CE1-OE2 3.64Å
149C94.6Very high93.7Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-58.3-44.7175.2-177.40000111.9A145 A146 S151 T152 L153 C434 V438 F456 I522A145-C149 VanDerWaalsContact O-CB 3.27Å; A145-C149 WeakPolarHBondContact O-CB 3.31Å; A145-C149 PolarHBondContact O-N 3.46Å; A146-C149 WeakPolarHBondContact O-CB 3.22Å; A146-C149 PolarHBondContact O-N 3.35Å; C149-S151 VanDerWaalsContact C-N 3.31Å; C149-S151 PolarHBondContact O-N 3.36Å; C149-T152 WeakPolarHBondContact O-CB 3.42Å; C149-T152 PolarHBondContact O-N 3.16Å; C149-L153 WeakPolarHBondContact O-CG 3.3Å; C149-L153 PolarHBondContact O-N 3.28Å; C149-C434 WeakPolarHBondContact SG-CB 3.3Å; C149-C434 PolarHBondContact SG-SG 2.77Å; C149-V438 HydrophobicContact CB-CG2 4.17Å; C149-F456 HydrophobicContact CB-CE1 4.33Å; C149-I522 WeakPolarHBondContact SG-CD1 3.43Å
150L95.2Very high92.9Very high20 Ų2045.7 Ų45.711%0.10523%0.23CC..Hα-helixtrans-61.1-38.9176-67.7172.4000112.7A146 K147 H148 L153 E154 R519 M523A146-L150 VanDerWaalsContact O-CG 3.28Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 3.34Å; K147-L150 PolarHBondContact O-N 3.31Å; H148-L150 PolarHBondContact O-N 3.21Å; L150-L153 HydrophobicContact CD2-CD1 4.47Å; L150-L153 PolarHBondContact O-N 2.9Å; L150-E154 WeakPolarHBondContact O-CG 3.39Å; L150-E154 PolarHBondContact O-N 3.43Å; L150-E154 VanDerWaalsContact O-N 3.11Å; L150-R519 HydrophobicContact CD2-CB 3.72Å; L150-R519 HydrophobicContact CD2-CG 3.69Å; L150-M523 HydrophobicContact CD1-CG 3.72Å; L150-M523 HydrophobicContact CD1-SD 3.8Å; L150-M523 HydrophobicContact CD2-CG 4.06Å; L150-M523 HydrophobicContact CD2-SD 4.43Å; L150-M523 HydrophobicContact CG-CG 4.42Å
151S95.7Very high91.9Very high58 Ų5850.4 Ų50.441%0.40625%0.25SC..Hα-helixtrans-66.5-42.9176.4-51.80000110.7K147 H148 C149 L153 E154 E155K147-S151 PolarHBondContact O-N 2.95Å; K147-S151 PolarHBondContact O-OG 2.98Å; H148-S151 WeakPolarHBondContact O-CB 3.25Å; H148-S151 PolarHBondContact O-N 3.12Å; C149-S151 VanDerWaalsContact C-N 3.31Å; C149-S151 PolarHBondContact O-N 3.36Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 3.4Å; S151-E154 WeakPolarHBondContact O-CB 3.41Å; S151-E154 PolarHBondContact O-N 3.18Å; S151-E155 WeakPolarHBondContact O-CG 3.43Å; S151-E155 PolarHBondContact O-N 3.17Å
152T94.4Very high90.9Very high8 Ų852.5 Ų52.55%0.04926%0.259CS..Hα-helixtrans-60.1-43.1175-510000111.2H148 C149 E154 E155 I156 S437H148-T152 PolarHBondContact O-N 2.66Å; H148-T152 PolarHBondContact O-OG1 3.3Å; C149-T152 WeakPolarHBondContact O-CB 3.42Å; C149-T152 PolarHBondContact O-N 3.16Å; T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 PolarHBondContact O-N 3.2Å; T152-E155 PolarHBondContact O-N 3.33Å; T152-I156 HydrophobicContact CG2-CG2 4.46Å; T152-I156 WeakPolarHBondContact O-CG1 3.36Å; T152-I156 WeakPolarHBondContact O-CG2 3.39Å; T152-I156 PolarHBondContact O-N 2.84Å; T152-S437 PolarHBondContact OG1-OG 3.06Å
153L94.3Very high89.7Confident1 Ų155 Ų551%0.00528%0.276CS..Hα-helixtrans-61.3-39.3176.6-71.8174000112.3C149 L150 S151 I156 S157 I424 C430 C434 L515 K518 R519 I522C149-L153 WeakPolarHBondContact O-CG 3.3Å; C149-L153 PolarHBondContact O-N 3.28Å; L150-L153 HydrophobicContact CD2-CD1 4.47Å; L150-L153 PolarHBondContact O-N 2.9Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 3.4Å; L153-I156 HydrophobicContact CD2-CD1 4.1Å; L153-S157 VanDerWaalsContact O-CB 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.45Å; L153-S157 PolarHBondContact O-N 3.35Å; L153-S157 VanDerWaalsContact O-N 3.15Å; L153-I424 HydrophobicContact CB-CD1 4.11Å; L153-I424 HydrophobicContact CD2-CD1 3.78Å; L153-I424 HydrophobicContact CG-CD1 4.5Å; L153-C430 HydrophobicContact CD2-CB 4.11Å; L153-C434 VanDerWaalsContact CD2-SG 3.54Å; L153-L515 HydrophobicContact CB-CD1 3.83Å; L153-K518 HydrophobicContact CD1-CB 4.21Å; L153-R519 HydrophobicContact CD1-CG 4.27Å; L153-I522 HydrophobicContact CD1-CD1 3.61Å
154E93.8Very high88.6Confident83 Ų8355.5 Ų55.539%0.38828%0.284SS..Hα-helixtrans-64.1-42.4174.9-71.3179.3-158.600111.6L150 S151 T152 S157 R519L150-E154 WeakPolarHBondContact O-CG 3.39Å; L150-E154 PolarHBondContact O-N 3.43Å; L150-E154 VanDerWaalsContact O-N 3.11Å; S151-E154 WeakPolarHBondContact O-CB 3.41Å; S151-E154 PolarHBondContact O-N 3.18Å; T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 PolarHBondContact O-N 3.2Å; E154-S157 PolarHBondContact O-N 3.22Å; E154-S157 PolarHBondContact O-OG 2.79Å; E154-R519 VanDerWaalsContact CG-NH1 3.28Å; E154-R519 IonicContact OE1-CZ 2.8Å; E154-R519 IonicContact OE1-NH1 3.97Å; E154-R519 PolarHBondContact OE1-NH1 2.92Å; E154-R519 IonicContact OE1-NH2 2.9Å; E154-R519 PolarHBondContact OE1-NH2 3.33Å
155E93.6Very high87.6Confident160 Ų16059.6 Ų59.675%0.74831%0.306SS*.Hα-helixtrans-66.6-40.4179.7-70.6175.5-16900113.3S151 T152 S157S151-E155 WeakPolarHBondContact O-CG 3.43Å; S151-E155 PolarHBondContact O-N 3.17Å; T152-E155 PolarHBondContact O-N 3.33Å; E155-S157 VanDerWaalsContact C-N 3.3Å
156I92.1Very high87Confident34 Ų3463.4 Ų63.417%0.17433%0.327CS..Hα-helixtrans-80.8-11.4178.870.2-179.9000113.2T152 L153 I424 C430 A433 P492T152-I156 HydrophobicContact CG2-CG2 4.46Å; T152-I156 WeakPolarHBondContact O-CG1 3.36Å; T152-I156 WeakPolarHBondContact O-CG2 3.39Å; T152-I156 PolarHBondContact O-N 2.84Å; L153-I156 HydrophobicContact CD2-CD1 4.1Å; I156-I424 HydrophobicContact CD1-CG2 3.87Å; I156-I424 HydrophobicContact CG1-CG2 4.09Å; I156-C430 HydrophobicContact CD1-CB 4.12Å; I156-A433 HydrophobicContact CD1-CB 4.29Å; I156-P492 HydrophobicContact CB-CB 4.25Å; I156-P492 HydrophobicContact CB-CG 4.16Å; I156-P492 HydrophobicContact CG2-CB 3.83Å; I156-P492 HydrophobicContact CG2-CG 3.92Å
157S91.2Very high86.6Confident22 Ų2267.9 Ų67.915%0.15434%0.342CS..  trans-70.4142.4-178.673.30000111.7L153 E154 E155L153-S157 VanDerWaalsContact O-CB 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.45Å; L153-S157 PolarHBondContact O-N 3.35Å; L153-S157 VanDerWaalsContact O-N 3.15Å; E154-S157 PolarHBondContact O-N 3.22Å; E154-S157 PolarHBondContact O-OG 2.79Å; E155-S157 VanDerWaalsContact C-N 3.3Å
158V89.8Confident86.3Confident48 Ų4865.5 Ų65.529%0.29133%0.333SS..EExtended strand (participates in β ladder)trans-110.4132175.4-179.10000108.3F160 R422 V423 Y507V158-F160 PolarHBondContact O-N 2.99Å; V158-R422 WeakPolarHBondContact O-CA 3.28Å; V158-V423 PolarHBondContact N-O 2.93Å; V158-V423 PolarHBondContact O-N 2.61Å; V158-Y507 HydrophobicContact CB-CE1 4.42Å; V158-Y507 VanDerWaalsContact CB-OH 3.3Å; V158-Y507 WeakPolarHBondContact CB-OH 3.34Å; V158-Y507 HydrophobicContact CG2-CE1 4.28Å; V158-Y507 WeakPolarHBondContact CG2-OH 3.28Å
159Q85.6Confident85.9Confident130 Ų13063.8 Ų63.861%0.60733%0.326SS*.EExtended strand (participates in β ladder)trans-70.8117.5171.7-173.2173.3-12.100109.3E161Q159-E161 HydrophobicContact CG-CG 4.32Å
160F76.7Confident85.6Confident47 Ų4763.9 Ų63.921%0.20633%0.326CS..  trans-101.586.3-178.7-144.8-140.1000108.7V158 F162 P169 S421 V423 L512V158-F160 PolarHBondContact O-N 2.99Å; F160-F162 PolarHBondContact O-N 3.34Å; F160-F162 VanDerWaalsContact O-N 3.15Å; F160-P169 HydrophobicContact CD1-CB 3.52Å; F160-P169 HydrophobicContact CE1-CB 3.22Å; F160-P169 HydrophobicContact CE1-CG 4.15Å; F160-P169 WeakPolarHBondContact CE1-O 3.46Å; F160-P169 HydrophobicContact CG-CB 4.35Å; F160-P169 HydrophobicContact CZ-CB 3.79Å; F160-P169 HydrophobicContact CZ-CG 4.25Å; F160-S421 WeakPolarHBondContact CA-O 3.45Å; F160-S421 VanDerWaalsContact CB-O 3.31Å; F160-S421 WeakPolarHBondContact CB-O 3.49Å; F160-S421 PolarHBondContact N-O 3.23Å; F160-V423 HydrophobicContact CB-CG1 3.94Å; F160-V423 HydrophobicContact CB-CG2 3.82Å; F160-V423 HydrophobicContact CD1-CG1 4.07Å; F160-V423 HydrophobicContact CD1-CG2 4.28Å; F160-V423 HydrophobicContact CD2-CG2 4.15Å; F160-V423 HydrophobicContact CG-CG1 4.25Å; F160-V423 HydrophobicContact CG-CG2 3.88Å; F160-L512 HydrophobicContact CE1-CD1 3.77Å; F160-L512 HydrophobicContact CE2-CD1 4.37Å; F160-L512 HydrophobicContact CZ-CD1 3.71Å
161E71.3Confident85.5Confident151 Ų15163.6 Ų63.671%0.70633%0.325SS*.  trans-65.8115.6177.4-65.2-171.1167.400109.6Q159Q159-E161 HydrophobicContact CG-CG 4.32Å
162F73.8Confident85.3Confident44 Ų4463.8 Ų63.819%0.19332%0.318CS..  trans-102.5144.6169.465.8-89.3000108.9F160 L170 L204 L417 V418F160-F162 PolarHBondContact O-N 3.34Å; F160-F162 VanDerWaalsContact O-N 3.15Å; F162-L170 HydrophobicContact CB-CD1 4.39Å; F162-L170 HydrophobicContact CB-CD2 4.25Å; F162-L170 HydrophobicContact CB-CG 4.13Å; F162-L170 HydrophobicContact CD1-CD2 4.03Å; F162-L170 HydrophobicContact CD2-CD1 4.06Å; F162-L170 HydrophobicContact CG-CD1 4.21Å; F162-L170 HydrophobicContact CG-CD2 4.05Å; F162-L170 HydrophobicContact CG-CG 4.25Å; F162-L204 HydrophobicContact CE2-CD2 4.09Å; F162-L417 WeakPolarHBondContact CE1-O 3.49Å; F162-V418 HydrophobicContact CZ-CG2 4.2Å
163S70.9Confident85.1Confident54 Ų5463.4 Ų63.438%0.37832%0.316SS..  trans-118.1159.5166.866.50000108.7D165 N166S163-D165 PolarHBondContact O-N 3.37Å; S163-D165 VanDerWaalsContact O-N 3.1Å; S163-N166 CarbonylContact O-C 3.57Å; S163-N166 VanDerWaalsContact O-C 3.23Å; S163-N166 PolarHBondContact O-N 2.66Å; S163-N166 VanDerWaalsContact O-O 3.07Å; S163-N166 WeakPolarHBondContact OG-CB 3.3Å; S163-N166 PolarHBondContact OG-N 3.19Å
164V71.3Confident85Confident73 Ų7363.3 Ų63.344%0.44232%0.316SS..SBendtrans-58-26.6176.5-179.10000111.5R167 L204V164-R167 WeakPolarHBondContact O-CG 3.31Å; V164-R167 PolarHBondContact O-NE 2.61Å; V164-L204 HydrophobicContact CG2-CD1 3.78Å
165D73.3Confident85Confident156 Ų15661.4 Ų61.483%0.83431%0.307SS*.SBendtrans-82-36.1177.2-56.1-42000112.2S163S163-D165 PolarHBondContact O-N 3.37Å; S163-D165 VanDerWaalsContact O-N 3.1Å
166N83.1Confident84.9Confident80 Ų8055.4 Ų55.443%0.42828%0.282SS..  trans-105.485.3178-170.215000111.7S163 P169S163-N166 CarbonylContact O-C 3.57Å; S163-N166 VanDerWaalsContact O-C 3.23Å; S163-N166 PolarHBondContact O-N 2.66Å; S163-N166 VanDerWaalsContact O-O 3.07Å; S163-N166 WeakPolarHBondContact OG-CB 3.3Å; S163-N166 PolarHBondContact OG-N 3.19Å; N166-P169 WeakPolarHBondContact O-CD 3.47Å; N166-P169 WeakPolarHBondContact OD1-CD 3.47Å
167R87.4Confident84.8Confident99 Ų9954.1 Ų54.137%0.37428%0.275SS..  trans-86.4-14.8-179.7-54.4-178.6-168169.88.8113.8V164 P169 L170 I171 V195 D196 L199V164-R167 WeakPolarHBondContact O-CG 3.31Å; V164-R167 PolarHBondContact O-NE 2.61Å; R167-P169 VanDerWaalsContact C-CD 3.44Å; R167-P169 VanDerWaalsContact C-N 3.32Å; R167-L170 PolarHBondContact O-N 3.23Å; R167-I171 HydrophobicContact CB-CD1 4.16Å; R167-I171 WeakPolarHBondContact O-CG1 3.38Å; R167-I171 PolarHBondContact O-N 2.97Å; R167-I171 VanDerWaalsContact O-N 3.09Å; R167-V195 HydrophobicContact CB-CG1 4.15Å; R167-D196 IonicContact CZ-OD1 2.78Å; R167-D196 IonicContact NH1-OD1 2.74Å; R167-D196 PolarHBondContact NH1-OD1 3.43Å; R167-L199 HydrophobicContact CG-CD1 3.88Å
168E88.3Confident84.9Confident60 Ų6053.1 Ų53.128%0.2827%0.268SS..Hα-helixtrans-55.4-38.8-175.9-165.770.8-170.800113.3L170 I171 K172 R188E168-L170 PolarHBondContact O-N 3Å; E168-I171 PolarHBondContact O-N 3.32Å; E168-K172 HydrophobicContact CG-CD 4.24Å; E168-K172 HydrophobicContact CG-CG 4.37Å; E168-K172 WeakPolarHBondContact O-CB 3.41Å; E168-K172 VanDerWaalsContact O-CG 3.31Å; E168-K172 WeakPolarHBondContact O-CG 3.36Å; E168-K172 PolarHBondContact O-N 3.36Å; E168-R188 IonicContact OE1-CZ 2.65Å; E168-R188 IonicContact OE1-NH1 3.73Å; E168-R188 PolarHBondContact OE1-NH1 3.32Å; E168-R188 IonicContact OE1-NH2 3.99Å; E168-R188 IonicContact OE2-NH2 3.34Å; E168-R188 PolarHBondContact OE2-NH2 2.83Å; E168-R188 VanDerWaalsContact OE2-NH2 3.16Å
169P86.3Confident84.8Confident12 Ų1251.3 Ų51.38%0.07826%0.259CS..Hα-helixtrans-49.1-50.1169.3-35.942.3000114.8F160 N166 R167 T173F160-P169 HydrophobicContact CD1-CB 3.52Å; F160-P169 HydrophobicContact CE1-CB 3.22Å; F160-P169 HydrophobicContact CE1-CG 4.15Å; F160-P169 WeakPolarHBondContact CE1-O 3.46Å; F160-P169 HydrophobicContact CG-CB 4.35Å; F160-P169 HydrophobicContact CZ-CB 3.79Å; F160-P169 HydrophobicContact CZ-CG 4.25Å; N166-P169 WeakPolarHBondContact O-CD 3.47Å; N166-P169 WeakPolarHBondContact OD1-CD 3.47Å; R167-P169 VanDerWaalsContact C-CD 3.44Å; R167-P169 VanDerWaalsContact C-N 3.32Å; P169-T173 PolarHBondContact O-N 2.92Å; P169-T173 PolarHBondContact O-OG1 3.23Å
170L90.2Very high84.7Confident2 Ų246.5 Ų46.51%0.0124%0.24CC..Hα-helixtrans-68.7-40.7-178.7-58.5176.8000110.6F162 R167 E168 T173 A174 V195 L199 V414 L417F162-L170 HydrophobicContact CB-CD1 4.39Å; F162-L170 HydrophobicContact CB-CD2 4.25Å; F162-L170 HydrophobicContact CB-CG 4.13Å; F162-L170 HydrophobicContact CD1-CD2 4.03Å; F162-L170 HydrophobicContact CD2-CD1 4.06Å; F162-L170 HydrophobicContact CG-CD1 4.21Å; F162-L170 HydrophobicContact CG-CD2 4.05Å; F162-L170 HydrophobicContact CG-CG 4.25Å; R167-L170 PolarHBondContact O-N 3.23Å; E168-L170 PolarHBondContact O-N 3Å; L170-T173 PolarHBondContact O-N 3.12Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 3.3Å; L170-V195 HydrophobicContact CB-CG1 4Å; L170-V195 HydrophobicContact CB-CG2 3.67Å; L170-V195 HydrophobicContact CD1-CG1 4.05Å; L170-L199 HydrophobicContact CD1-CD1 4.35Å; L170-L199 HydrophobicContact CD1-CD2 4.17Å; L170-L199 HydrophobicContact CD1-CG 4.43Å; L170-V414 HydrophobicContact CD1-CG1 4.42Å; L170-L417 HydrophobicContact CD2-CB 3.68Å; L170-L417 HydrophobicContact CD2-CD1 3.56Å; L170-L417 HydrophobicContact CD2-CG 4.23Å
171I92.3Very high85.2Confident13 Ų1345.2 Ų45.27%0.06723%0.234CC..Hα-helixtrans-61.5-46.8178.5-64.3165.8000110.2R167 E168 T173 A174 M175 A191 E192 V195R167-I171 HydrophobicContact CB-CD1 4.16Å; R167-I171 WeakPolarHBondContact O-CG1 3.38Å; R167-I171 PolarHBondContact O-N 2.97Å; R167-I171 VanDerWaalsContact O-N 3.09Å; E168-I171 PolarHBondContact O-N 3.32Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 3.38Å; I171-A174 PolarHBondContact O-N 3.4Å; I171-M175 HydrophobicContact CG2-CG 4.25Å; I171-M175 HydrophobicContact CG2-SD 3.96Å; I171-M175 WeakPolarHBondContact O-CB 3.48Å; I171-M175 VanDerWaalsContact O-CG 3.24Å; I171-M175 WeakPolarHBondContact O-CG 3.34Å; I171-M175 PolarHBondContact O-N 3.43Å; I171-A191 HydrophobicContact CG2-CB 3.99Å; I171-E192 HydrophobicContact CD1-CG 3.8Å; I171-E192 HydrophobicContact CG1-CG 4.22Å; I171-E192 HydrophobicContact CG2-CG 4.24Å; I171-V195 HydrophobicContact CG1-CB 4.24Å; I171-V195 HydrophobicContact CG1-CG1 4.37Å; I171-V195 HydrophobicContact CG1-CG2 3.92Å
172K90.6Very high85.8Confident62 Ų6240.7 Ų40.727%0.2721%0.214SC..Hα-helixtrans-60.3-41.5179-74.9174.6171.4-1640112.7E168 M175 T176 N510E168-K172 HydrophobicContact CG-CD 4.24Å; E168-K172 HydrophobicContact CG-CG 4.37Å; E168-K172 WeakPolarHBondContact O-CB 3.41Å; E168-K172 VanDerWaalsContact O-CG 3.31Å; E168-K172 WeakPolarHBondContact O-CG 3.36Å; E168-K172 PolarHBondContact O-N 3.36Å; K172-M175 PolarHBondContact O-N 3.27Å; K172-T176 PolarHBondContact O-N 3.1Å; K172-T176 PolarHBondContact O-OG1 3.04Å; K172-N510 HydrophobicContact CB-CB 4.44Å; K172-N510 HydrophobicContact CD-CB 4.21Å; K172-N510 WeakPolarHBondContact CD-OD1 3.44Å; K172-N510 WeakPolarHBondContact CE-OD1 3.45Å; K172-N510 HydrophobicContact CG-CB 4.36Å; K172-N510 PolarHBondContact NZ-OD1 3.08Å
173T90.9Very high86.3Confident0 Ų038.6 Ų38.60%021%0.205CC..Hα-helixtrans-68.3-44.2177.8-45.90000110.7P169 L170 I171 M175 T176 T177 V413 L417 L512 T514P169-T173 PolarHBondContact O-N 2.92Å; P169-T173 PolarHBondContact O-OG1 3.23Å; L170-T173 PolarHBondContact O-N 3.12Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 3.38Å; T173-M175 VanDerWaalsContact C-N 3.32Å; T173-M175 PolarHBondContact O-N 2.96Å; T173-T176 WeakPolarHBondContact O-CB 3.31Å; T173-T176 PolarHBondContact O-N 3.09Å; T173-T176 VanDerWaalsContact O-N 3.13Å; T173-T177 PolarHBondContact O-N 3.23Å; T173-V413 HydrophobicContact CG2-CG1 3.82Å; T173-L417 HydrophobicContact CG2-CD1 3.81Å; T173-L417 HydrophobicContact CG2-CD2 4.48Å; T173-L512 HydrophobicContact CG2-CB 4.39Å; T173-T514 HydrophobicContact CG2-CG2 4.38Å
174A92.8Very high87Confident0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-63.5-35.7175.300000112.9L170 I171 T176 T177 L178 A191 A410 V414L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 3.3Å; I171-A174 PolarHBondContact O-N 3.4Å; A174-T176 VanDerWaalsContact C-N 3.29Å; A174-T176 PolarHBondContact O-N 3.01Å; A174-T177 PolarHBondContact O-N 3.05Å; A174-L178 WeakPolarHBondContact O-CG 2.84Å; A174-L178 PolarHBondContact O-N 3.31Å; A174-L178 VanDerWaalsContact O-N 3.08Å; A174-A191 HydrophobicContact CB-CB 3.89Å; A174-A410 HydrophobicContact CB-CB 4.47Å; A174-V414 HydrophobicContact CB-CG2 4.04Å
175M93Very high87.7Confident42 Ų4247.1 Ų47.121%0.20723%0.226CC..Hα-helixtrans-61.4-37.6173.6-77.2177.663.100111.8I171 K172 T173 L178 G179 Q187 R188 A191I171-M175 HydrophobicContact CG2-CG 4.25Å; I171-M175 HydrophobicContact CG2-SD 3.96Å; I171-M175 WeakPolarHBondContact O-CB 3.48Å; I171-M175 VanDerWaalsContact O-CG 3.24Å; I171-M175 WeakPolarHBondContact O-CG 3.34Å; I171-M175 PolarHBondContact O-N 3.43Å; K172-M175 PolarHBondContact O-N 3.27Å; T173-M175 VanDerWaalsContact C-N 3.32Å; T173-M175 PolarHBondContact O-N 2.96Å; M175-L178 PolarHBondContact O-N 3.13Å; M175-G179 PolarHBondContact O-N 3.38Å; M175-Q187 HydrophobicContact CE-CG 4.2Å; M175-R188 HydrophobicContact SD-CB 4.35Å; M175-R188 HydrophobicContact SD-CG 4.38Å; M175-A191 HydrophobicContact CG-CB 3.64Å
176T92.1Very high88.4Confident35 Ų3540.5 Ų40.522%0.21519%0.192CC..Hα-helixtrans-60.5-47.6177.1-59.50000111K172 T173 A174 L178 G179 N510 V511 L512K172-T176 PolarHBondContact O-N 3.1Å; K172-T176 PolarHBondContact O-OG1 3.04Å; T173-T176 WeakPolarHBondContact O-CB 3.31Å; T173-T176 PolarHBondContact O-N 3.09Å; T173-T176 VanDerWaalsContact O-N 3.13Å; A174-T176 VanDerWaalsContact C-N 3.29Å; A174-T176 PolarHBondContact O-N 3.01Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 3.27Å; T176-G179 PolarHBondContact O-N 3.49Å; T176-N510 PolarHBondContact OG1-O 3.44Å; T176-N510 VanDerWaalsContact OG1-O 3.06Å; T176-V511 HydrophobicContact CG2-CG1 3.85Å; T176-L512 WeakPolarHBondContact CB-O 3.42Å; T176-L512 WeakPolarHBondContact CG2-O 3.36Å; T176-L512 PolarHBondContact OG1-N 2.73Å
177T90.7Very high88.7Confident7 Ų739.1 Ų39.14%0.04318%0.183CC..Hα-helixtrans-65.7-32.1177.9-60.20000113.4D109 T173 A174 K181 D409 V413D109-T177 WeakPolarHBondContact OD2-CG2 3.43Å; D109-T177 PolarHBondContact OD2-OG1 3.38Å; T173-T177 PolarHBondContact O-N 3.23Å; A174-T177 PolarHBondContact O-N 3.05Å; T177-K181 WeakPolarHBondContact O-CE 3.17Å; T177-D409 HydrophobicContact CG2-CB 4.09Å; T177-V413 HydrophobicContact CG2-CG2 4.06Å; T177-V413 WeakPolarHBondContact OG1-CG2 3.49Å
178L91.5Very high88.9Confident0 Ų039.9 Ų39.90%019%0.186CC..Hα-helixtrans-80.5-18.3177.5-69171.6000113.3A174 M175 T176 S180 K181 Q187 F190 A191 S406 A410A174-L178 WeakPolarHBondContact O-CG 2.84Å; A174-L178 PolarHBondContact O-N 3.31Å; A174-L178 VanDerWaalsContact O-N 3.08Å; M175-L178 PolarHBondContact O-N 3.13Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 3.27Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.01Å; L178-K181 PolarHBondContact O-N 3.04Å; L178-Q187 HydrophobicContact CB-CB 4.08Å; L178-F190 HydrophobicContact CD1-CB 3.72Å; L178-A191 HydrophobicContact CD1-CB 4.08Å; L178-S406 WeakPolarHBondContact CD2-O 3.24Å; L178-A410 HydrophobicContact CD1-CB 4.1Å; L178-A410 HydrophobicContact CD2-CB 4.02Å; L178-A410 HydrophobicContact CG-CB 4Å
179G87.5Confident89.1Confident10 Ų1039.7 Ų39.710%0.10319%0.186CC..THydrogen-bonded Turntrans-64.4-24.7-174.600000114.7M175 T176 N184M175-G179 PolarHBondContact O-N 3.38Å; T176-G179 PolarHBondContact O-N 3.49Å; G179-N184 PolarHBondContact O-ND2 3.47Å
180S85.3Confident89.5Confident30 Ų3039.1 Ų39.121%0.2118%0.182CC..THydrogen-bonded Turntrans-90.84.7177.457.70000115.2G58 N77 L178G58-S180 VanDerWaalsContact O-CB 3.24Å; G58-S180 WeakPolarHBondContact O-CB 3.33Å; N77-S180 PolarHBondContact ND2-O 2.86Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.01Å
181K85.7Confident89.7Confident19 Ų1939 Ų398%0.08318%0.182CC..SBendtrans-117168.6-171.2-57.2179.7-171.5167.20111.7T177 L178 V183 N184 S406 D409T177-K181 WeakPolarHBondContact O-CE 3.17Å; L178-K181 PolarHBondContact O-N 3.04Å; K181-V183 PolarHBondContact O-N 2.93Å; K181-N184 VanDerWaalsContact O-CB 3.24Å; K181-N184 WeakPolarHBondContact O-CB 3.45Å; K181-N184 PolarHBondContact O-N 3.4Å; K181-S406 WeakPolarHBondContact CB-OG 3.44Å; K181-S406 WeakPolarHBondContact CD-OG 3.39Å; K181-D409 VanDerWaalsContact NZ-CG 3.25Å; K181-D409 IonicContact NZ-OD2 3.33Å; K181-D409 PolarHBondContact NZ-OD2 2.8Å
182I84.2Confident89.8Confident56 Ų5641.8 Ų41.829%0.28719%0.194SC..G310 helixtrans-53.3-28.6177.4-59-175000111.9D63 N184 E402D63-I182 VanDerWaalsContact OD2-CD1 3.3Å; D63-I182 WeakPolarHBondContact OD2-CD1 3.46Å; D63-I182 WeakPolarHBondContact OD2-CG1 3.39Å; I182-N184 PolarHBondContact O-N 3.06Å; I182-E402 HydrophobicContact CB-CG 4.38Å; I182-E402 HydrophobicContact CD1-CB 4.07Å; I182-E402 HydrophobicContact CD1-CG 3.68Å; I182-E402 HydrophobicContact CG1-CG 3.99Å
183V85.3Confident90Very high1 Ų139.4 Ų39.41%0.00618%0.184CC..G310 helixtrans-74-1-178.6-155.60000113.4K181 R185 C186 Q187 F190 A403 S406K181-V183 PolarHBondContact O-N 2.93Å; V183-R185 PolarHBondContact O-N 3.42Å; V183-R185 VanDerWaalsContact O-N 3.08Å; V183-C186 CarbonylContact O-C 3.6Å; V183-C186 PolarHBondContact O-N 3.45Å; V183-Q187 PolarHBondContact O-N 3.11Å; V183-F190 HydrophobicContact CG1-CB 3.95Å; V183-F190 HydrophobicContact CG1-CD1 3.78Å; V183-F190 HydrophobicContact CG1-CD2 3.14Å; V183-F190 HydrophobicContact CG1-CE1 4.01Å; V183-F190 HydrophobicContact CG1-CE2 3.4Å; V183-F190 HydrophobicContact CG1-CG 3.34Å; V183-F190 HydrophobicContact CG1-CZ 3.83Å; V183-A403 HydrophobicContact CG2-CB 4.19Å; V183-S406 VanDerWaalsContact CG2-CB 3.42Å; V183-S406 WeakPolarHBondContact CG2-OG 3.37Å
184N84.8Confident90.1Very high68 Ų6839.4 Ų39.436%0.36418%0.184SC..G310 helixtrans-48.4-40.7179.2-176.5-16.4000112.7G179 K181 I182 C186 Q187G179-N184 PolarHBondContact O-ND2 3.47Å; K181-N184 VanDerWaalsContact O-CB 3.24Å; K181-N184 WeakPolarHBondContact O-CB 3.45Å; K181-N184 PolarHBondContact O-N 3.4Å; I182-N184 PolarHBondContact O-N 3.06Å; N184-C186 PolarHBondContact O-N 2.95Å; N184-C186 VanDerWaalsContact O-N 3.14Å; N184-Q187 WeakPolarHBondContact O-CB 3.36Å; N184-Q187 WeakPolarHBondContact O-CG 3.05Å; N184-Q187 PolarHBondContact O-N 2.88Å
185R86.2Confident90.2Very high238 Ų23839.4 Ų39.490%0.89818%0.184SC*.G310 helixtrans-57.5-31.8177.5-65.7-174.3-176.6-177.82114V183V183-R185 PolarHBondContact O-N 3.42Å; V183-R185 VanDerWaalsContact O-N 3.08Å
186C87.5Confident90.2Very high16 Ų1639.8 Ų39.811%0.10819%0.187CC..G310 helixtrans-121.824.9-176.4-53.90000111.4V183 N184 R188 M189 F190V183-C186 CarbonylContact O-C 3.6Å; V183-C186 PolarHBondContact O-N 3.45Å; N184-C186 PolarHBondContact O-N 2.95Å; N184-C186 VanDerWaalsContact O-N 3.14Å; C186-R188 VanDerWaalsContact C-N 3.27Å; C186-R188 PolarHBondContact O-N 3.05Å; C186-M189 PolarHBondContact O-N 3.28Å; C186-M189 VanDerWaalsContact O-N 3.12Å; C186-F190 HydrophobicContact CB-CD2 4.03Å; C186-F190 HydrophobicContact CB-CE2 4.16Å; C186-F190 WeakPolarHBondContact O-CD2 3.44Å; C186-F190 PolarHBondContact O-N 3.46Å
187Q89.5Confident90.2Very high52 Ų5238.1 Ų38.124%0.24318%0.177CC..Hα-helixtrans-56.4-37.3-17161.9-177.7-8.100113.5M175 L178 V183 N184 F190 A191M175-Q187 HydrophobicContact CE-CG 4.2Å; L178-Q187 HydrophobicContact CB-CB 4.08Å; V183-Q187 PolarHBondContact O-N 3.11Å; N184-Q187 WeakPolarHBondContact O-CB 3.36Å; N184-Q187 WeakPolarHBondContact O-CG 3.05Å; N184-Q187 PolarHBondContact O-N 2.88Å; Q187-F190 PolarHBondContact O-N 3.27Å; Q187-A191 WeakPolarHBondContact O-CB 3.37Å; Q187-A191 PolarHBondContact O-N 3.47Å
188R92.2Very high90.3Very high114 Ų11437.8 Ų37.843%0.4318%0.175SC..Hα-helixtrans-65.7-44-180-174.2172.3-177.810710.6111.7E168 M175 C186 A191 E192E168-R188 IonicContact OE1-CZ 2.65Å; E168-R188 IonicContact OE1-NH1 3.73Å; E168-R188 PolarHBondContact OE1-NH1 3.32Å; E168-R188 IonicContact OE1-NH2 3.99Å; E168-R188 IonicContact OE2-NH2 3.34Å; E168-R188 PolarHBondContact OE2-NH2 2.83Å; E168-R188 VanDerWaalsContact OE2-NH2 3.16Å; M175-R188 HydrophobicContact SD-CB 4.35Å; M175-R188 HydrophobicContact SD-CG 4.38Å; C186-R188 VanDerWaalsContact C-N 3.27Å; C186-R188 PolarHBondContact O-N 3.05Å; R188-A191 PolarHBondContact O-N 3.09Å; R188-E192 HydrophobicContact CG-CG 4.44Å; R188-E192 WeakPolarHBondContact CG-OE1 3.47Å; R188-E192 IonicContact CZ-OE1 2.61Å; R188-E192 IonicContact NE-OE1 3.17Å; R188-E192 PolarHBondContact NE-OE1 2.97Å; R188-E192 IonicContact NH2-OE1 2.77Å; R188-E192 PolarHBondContact NH2-OE1 3.39Å; R188-E192 WeakPolarHBondContact O-CB 3.31Å; R188-E192 WeakPolarHBondContact O-CG 3.28Å; R188-E192 PolarHBondContact O-N 2.93Å
189M93.4Very high90.3Very high57 Ų5739.4 Ų39.428%0.28118%0.183SC..Hα-helixtrans-63.5-43.4178.5-173.2-170.780.300111.5C186 M193 L224C186-M189 PolarHBondContact O-N 3.28Å; C186-M189 VanDerWaalsContact O-N 3.12Å; M189-M193 VanDerWaalsContact O-CB 3.27Å; M189-M193 WeakPolarHBondContact O-CB 3.48Å; M189-M193 PolarHBondContact O-N 3.36Å; M189-L224 WeakPolarHBondContact CE-O 3.5Å
190F94.4Very high90.3Very high0 Ų040.4 Ų40.40%019%0.189CC..Hα-helixtrans-70.4-35177.2-83.5-99.3000112.5L178 V183 C186 Q187 M193 A194 L224 I392 A403 L407L178-F190 HydrophobicContact CD1-CB 3.72Å; V183-F190 HydrophobicContact CG1-CB 3.95Å; V183-F190 HydrophobicContact CG1-CD1 3.78Å; V183-F190 HydrophobicContact CG1-CD2 3.14Å; V183-F190 HydrophobicContact CG1-CE1 4.01Å; V183-F190 HydrophobicContact CG1-CE2 3.4Å; V183-F190 HydrophobicContact CG1-CG 3.34Å; V183-F190 HydrophobicContact CG1-CZ 3.83Å; C186-F190 HydrophobicContact CB-CD2 4.03Å; C186-F190 HydrophobicContact CB-CE2 4.16Å; C186-F190 WeakPolarHBondContact O-CD2 3.44Å; C186-F190 PolarHBondContact O-N 3.46Å; Q187-F190 PolarHBondContact O-N 3.27Å; F190-M193 PolarHBondContact O-N 2.95Å; F190-A194 WeakPolarHBondContact O-CB 3.48Å; F190-A194 PolarHBondContact O-N 2.8Å; F190-L224 HydrophobicContact CZ-CD2 4.4Å; F190-I392 HydrophobicContact CE1-CD1 4.33Å; F190-I392 HydrophobicContact CE1-CG1 4.46Å; F190-I392 HydrophobicContact CE1-CG2 4.46Å; F190-I392 HydrophobicContact CZ-CG2 4.49Å; F190-A403 HydrophobicContact CE1-CB 4.3Å; F190-A403 HydrophobicContact CZ-CB 4.36Å; F190-L407 HydrophobicContact CD1-CB 4.34Å; F190-L407 HydrophobicContact CD1-CD1 4.14Å
191A93.8Very high90.5Very high0 Ų039.5 Ų39.50%018%0.182CC..Hα-helixtrans-65.4-47.1173.800000111.5I171 A174 M175 L178 Q187 R188 M193 A194 V195I171-A191 HydrophobicContact CG2-CB 3.99Å; A174-A191 HydrophobicContact CB-CB 3.89Å; M175-A191 HydrophobicContact CG-CB 3.64Å; L178-A191 HydrophobicContact CD1-CB 4.08Å; Q187-A191 WeakPolarHBondContact O-CB 3.37Å; Q187-A191 PolarHBondContact O-N 3.47Å; R188-A191 PolarHBondContact O-N 3.09Å; A191-M193 VanDerWaalsContact C-N 3.33Å; A191-M193 PolarHBondContact O-N 3.12Å; A191-A194 PolarHBondContact O-N 3.4Å; A191-V195 WeakPolarHBondContact O-CB 3.32Å; A191-V195 VanDerWaalsContact O-CG2 3.26Å; A191-V195 WeakPolarHBondContact O-CG2 3.41Å; A191-V195 PolarHBondContact O-N 2.94Å
192E94.3Very high90.6Very high70 Ų7039.4 Ų39.433%0.32719%0.185SC..Hα-helixtrans-60-43.2174.6-74.8171.1-176.400111.1I171 R188 V195 D196I171-E192 HydrophobicContact CD1-CG 3.8Å; I171-E192 HydrophobicContact CG1-CG 4.22Å; I171-E192 HydrophobicContact CG2-CG 4.24Å; R188-E192 HydrophobicContact CG-CG 4.44Å; R188-E192 WeakPolarHBondContact CG-OE1 3.47Å; R188-E192 IonicContact CZ-OE1 2.61Å; R188-E192 IonicContact NE-OE1 3.17Å; R188-E192 PolarHBondContact NE-OE1 2.97Å; R188-E192 IonicContact NH2-OE1 2.77Å; R188-E192 PolarHBondContact NH2-OE1 3.39Å; R188-E192 WeakPolarHBondContact O-CB 3.31Å; R188-E192 WeakPolarHBondContact O-CG 3.28Å; R188-E192 PolarHBondContact O-N 2.93Å; E192-V195 PolarHBondContact O-N 2.99Å; E192-D196 WeakPolarHBondContact O-CB 3.43Å; E192-D196 PolarHBondContact O-N 3.08Å
193M94.4Very high90.7Very high12 Ų1239.3 Ų39.36%0.05919%0.185CC..Hα-helixtrans-59.6-46.8174.8-180179.9-54.200112.5M189 F190 A191 A197 L229 C390 L407M189-M193 VanDerWaalsContact O-CB 3.27Å; M189-M193 WeakPolarHBondContact O-CB 3.48Å; M189-M193 PolarHBondContact O-N 3.36Å; F190-M193 PolarHBondContact O-N 2.95Å; A191-M193 VanDerWaalsContact C-N 3.33Å; A191-M193 PolarHBondContact O-N 3.12Å; M193-A197 VanDerWaalsContact O-CB 3.24Å; M193-A197 WeakPolarHBondContact O-CB 3.49Å; M193-A197 PolarHBondContact O-N 3.13Å; M193-L229 HydrophobicContact CG-CB 4.14Å; M193-C390 HydrophobicContact SD-CB 4.14Å; M193-L407 HydrophobicContact CG-CD1 4.42Å; M193-L407 HydrophobicContact SD-CD1 4.39Å; M193-L407 HydrophobicContact SD-CD2 4.1Å
194A94.6Very high90.6Very high0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-63.9-43.917900000111.6F190 A191 A197 V198 L407 A410 L411F190-A194 WeakPolarHBondContact O-CB 3.48Å; F190-A194 PolarHBondContact O-N 2.8Å; A191-A194 PolarHBondContact O-N 3.4Å; A194-A197 PolarHBondContact O-N 3.28Å; A194-V198 WeakPolarHBondContact O-CG2 3.29Å; A194-V198 PolarHBondContact O-N 3.49Å; A194-L407 HydrophobicContact CB-CD1 3.91Å; A194-A410 HydrophobicContact CB-CB 3.9Å; A194-L411 HydrophobicContact CB-CD2 3.96Å; A194-L411 HydrophobicContact CB-CG 4.28Å; A194-L411 WeakPolarHBondContact O-CD2 3.44Å
195V93.8Very high90.5Very high0 Ų048.6 Ų48.60%023%0.228CC..Hα-helixtrans-65-46.8178.9172.40000111.1R167 L170 I171 A191 E192 A197 V198 L199 V414R167-V195 HydrophobicContact CB-CG1 4.15Å; L170-V195 HydrophobicContact CB-CG1 4Å; L170-V195 HydrophobicContact CB-CG2 3.67Å; L170-V195 HydrophobicContact CD1-CG1 4.05Å; I171-V195 HydrophobicContact CG1-CB 4.24Å; I171-V195 HydrophobicContact CG1-CG1 4.37Å; I171-V195 HydrophobicContact CG1-CG2 3.92Å; A191-V195 WeakPolarHBondContact O-CB 3.32Å; A191-V195 VanDerWaalsContact O-CG2 3.26Å; A191-V195 WeakPolarHBondContact O-CG2 3.41Å; A191-V195 PolarHBondContact O-N 2.94Å; E192-V195 PolarHBondContact O-N 2.99Å; V195-A197 VanDerWaalsContact C-N 3.32Å; V195-A197 PolarHBondContact O-N 3.35Å; V195-V198 PolarHBondContact O-N 3.41Å; V195-L199 HydrophobicContact CG1-CD1 3.68Å; V195-L199 HydrophobicContact CG1-CG 4.22Å; V195-L199 VanDerWaalsContact O-CB 3.31Å; V195-L199 WeakPolarHBondContact O-CB 3.46Å; V195-L199 VanDerWaalsContact O-CG 3.27Å; V195-L199 WeakPolarHBondContact O-CG 3.49Å; V195-L199 PolarHBondContact O-N 3.37Å; V195-V414 HydrophobicContact CG2-CG1 4.37Å; V195-V414 HydrophobicContact CG2-CG2 3.74Å
196D92.6Very high90.6Very high51 Ų5147 Ų4727%0.27322%0.222SC..Hα-helixtrans-65.5-35.8178.4-79.8-10.4000112.2R167 E192 S200 L229R167-D196 IonicContact CZ-OD1 2.78Å; R167-D196 IonicContact NH1-OD1 2.74Å; R167-D196 PolarHBondContact NH1-OD1 3.43Å; E192-D196 WeakPolarHBondContact O-CB 3.43Å; E192-D196 PolarHBondContact O-N 3.08Å; D196-S200 WeakPolarHBondContact O-CB 3.44Å; D196-S200 PolarHBondContact O-N 3.32Å; D196-S200 VanDerWaalsContact O-N 3.14Å; D196-S200 PolarHBondContact O-OG 3.41Å; D196-L229 HydrophobicContact CB-CD2 3.54Å
197A93.5Very high90.5Very high0 Ų052.8 Ų52.80%024%0.241CC..Hα-helixtrans-63.9-53.3174.500000111M193 A194 V195 L199 S200 V201 I214 L229 V388 L411M193-A197 VanDerWaalsContact O-CB 3.24Å; M193-A197 WeakPolarHBondContact O-CB 3.49Å; M193-A197 PolarHBondContact O-N 3.13Å; A194-A197 PolarHBondContact O-N 3.28Å; V195-A197 VanDerWaalsContact C-N 3.32Å; V195-A197 PolarHBondContact O-N 3.35Å; A197-L199 PolarHBondContact O-N 2.92Å; A197-S200 PolarHBondContact O-N 3.24Å; A197-V201 WeakPolarHBondContact O-CG2 3.5Å; A197-V201 PolarHBondContact O-N 3.17Å; A197-I214 HydrophobicContact CB-CD1 4.37Å; A197-I214 HydrophobicContact CB-CG2 4.37Å; A197-L229 HydrophobicContact CB-CD1 3.87Å; A197-L229 HydrophobicContact CB-CD2 4.43Å; A197-V388 HydrophobicContact CB-CG2 4.02Å; A197-L411 HydrophobicContact CB-CD2 3.9Å
198V92.9Very high90.5Very high0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-63-45.5-179.4172.20000111.4A194 V195 S200 V201 A202 V209 I214 L411 V414 V418A194-V198 WeakPolarHBondContact O-CG2 3.29Å; A194-V198 PolarHBondContact O-N 3.49Å; V195-V198 PolarHBondContact O-N 3.41Å; V198-S200 PolarHBondContact O-N 3Å; V198-V201 PolarHBondContact O-N 2.96Å; V198-V201 VanDerWaalsContact O-N 3.1Å; V198-A202 HydrophobicContact CG1-CB 4.39Å; V198-A202 WeakPolarHBondContact O-CB 3.39Å; V198-A202 PolarHBondContact O-N 3.37Å; V198-V209 HydrophobicContact CG1-CG1 3.85Å; V198-V209 HydrophobicContact CG1-CG2 3.84Å; V198-V209 HydrophobicContact CG2-CG1 4.47Å; V198-I214 HydrophobicContact CG2-CD1 4.16Å; V198-L411 HydrophobicContact CG2-CB 4.41Å; V198-L411 HydrophobicContact CG2-CD2 3.67Å; V198-V414 HydrophobicContact CB-CB 4.36Å; V198-V414 HydrophobicContact CB-CG1 3.74Å; V198-V414 HydrophobicContact CG1-CB 4.48Å; V198-V414 HydrophobicContact CG1-CG1 3.73Å; V198-V414 HydrophobicContact CG2-CB 4.13Å; V198-V414 HydrophobicContact CG2-CG1 4.07Å; V198-V418 HydrophobicContact CG1-CG2 4.16Å
199L90.2Very high90.4Very high34 Ų3448.8 Ų48.818%0.17823%0.231CC..Hα-helixtrans-64.4-26179.1-71.3177.8000113.4R167 L170 V195 A197 V201R167-L199 HydrophobicContact CG-CD1 3.88Å; L170-L199 HydrophobicContact CD1-CD1 4.35Å; L170-L199 HydrophobicContact CD1-CD2 4.17Å; L170-L199 HydrophobicContact CD1-CG 4.43Å; V195-L199 HydrophobicContact CG1-CD1 3.68Å; V195-L199 HydrophobicContact CG1-CG 4.22Å; V195-L199 VanDerWaalsContact O-CB 3.31Å; V195-L199 WeakPolarHBondContact O-CB 3.46Å; V195-L199 VanDerWaalsContact O-CG 3.27Å; V195-L199 WeakPolarHBondContact O-CG 3.49Å; V195-L199 PolarHBondContact O-N 3.37Å; A197-L199 PolarHBondContact O-N 2.92Å; L199-V201 VanDerWaalsContact C-N 3.32Å
200S88.6Confident90.2Very high31 Ų3149.6 Ų49.622%0.21724%0.236CC..Hα-helixtrans-73.4-26.1176.1-61.80000112.7D196 A197 V198D196-S200 WeakPolarHBondContact O-CB 3.44Å; D196-S200 PolarHBondContact O-N 3.32Å; D196-S200 VanDerWaalsContact O-N 3.14Å; D196-S200 PolarHBondContact O-OG 3.41Å; A197-S200 PolarHBondContact O-N 3.24Å; V198-S200 PolarHBondContact O-N 3Å
201V89.7Confident90Very high11 Ų1152 Ų527%0.06725%0.247CC..Hα-helixtrans-104-31.1-174.9-178.60000112.4A197 V198 L199 D203 D210 L213 I214 K386 V388A197-V201 WeakPolarHBondContact O-CG2 3.5Å; A197-V201 PolarHBondContact O-N 3.17Å; V198-V201 PolarHBondContact O-N 2.96Å; V198-V201 VanDerWaalsContact O-N 3.1Å; L199-V201 VanDerWaalsContact C-N 3.32Å; V201-D203 PolarHBondContact O-N 2.92Å; V201-D210 WeakPolarHBondContact CG1-O 3.5Å; V201-L213 HydrophobicContact CG1-CB 3.55Å; V201-L213 HydrophobicContact CG1-CD1 3.62Å; V201-L213 HydrophobicContact CG1-CG 4.15Å; V201-L213 HydrophobicContact CG2-CB 4.26Å; V201-I214 HydrophobicContact CB-CD1 4.36Å; V201-I214 HydrophobicContact CB-CG1 4.25Å; V201-I214 HydrophobicContact CG1-CG1 4.47Å; V201-I214 HydrophobicContact CG2-CD1 4.07Å; V201-I214 HydrophobicContact CG2-CG1 3.59Å; V201-K386 WeakPolarHBondContact CG2-O 3.28Å; V201-V388 HydrophobicContact CG2-CG2 3.79Å
202A86.3Confident89.7Confident17 Ų1759.5 Ų59.514%0.1428%0.282CS..  trans-60.6132.4-171.800000112.8V198 L204 V209 V418V198-A202 HydrophobicContact CG1-CB 4.39Å; V198-A202 WeakPolarHBondContact O-CB 3.39Å; V198-A202 PolarHBondContact O-N 3.37Å; A202-L204 HydrophobicContact CB-CD2 4.46Å; A202-L204 PolarHBondContact O-N 2.81Å; A202-V209 HydrophobicContact CB-CG2 3.96Å; A202-V418 HydrophobicContact CB-CG1 4.42Å
203D86.2Confident89.5Confident54 Ų5457.3 Ų57.329%0.28927%0.272SS..BIsolated β-bridgetrans-89.396.8163.7-172.9-24.4000108.3V201 Q205 R206 R207 D208V201-D203 PolarHBondContact O-N 2.92Å; D203-Q205 PolarHBondContact O-N 2.87Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.31Å; D203-Q205 PolarHBondContact OD1-N 3.33Å; D203-R206 HydrophobicContact CB-CB 4.19Å; D203-R206 PolarHBondContact O-N 2.83Å; D203-R206 PolarHBondContact OD1-N 3.46Å; D203-R206 WeakPolarHBondContact OD2-CD 3.35Å; D203-R206 IonicContact OD2-NE 2.66Å; D203-R207 WeakPolarHBondContact O-CA 3.46Å; D203-R207 PolarHBondContact O-N 2.98Å; D203-D208 PolarHBondContact N-O 3.24Å; D203-D208 PolarHBondContact O-N 3.46Å
204L83Confident89.5Confident77 Ų7757.3 Ų57.340%0.40327%0.272SS..THydrogen-bonded Turntrans-62.1-24.1-178.4-63.7176.6000113.2F162 V164 A202 V418F162-L204 HydrophobicContact CE2-CD2 4.09Å; V164-L204 HydrophobicContact CG2-CD1 3.78Å; A202-L204 HydrophobicContact CB-CD2 4.46Å; A202-L204 PolarHBondContact O-N 2.81Å; L204-V418 HydrophobicContact CD2-CG1 4.46Å
205Q83.9Confident89.4Confident187 Ų18758.6 Ų58.687%0.87428%0.277SS*.THydrogen-bonded Turntrans-76.6-42.2178.5-62.5-177.1-000110.9D203 R207D203-Q205 PolarHBondContact O-N 2.87Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.31Å; D203-Q205 PolarHBondContact OD1-N 3.33Å; Q205-R207 VanDerWaalsContact C-N 3.3Å
206R87.2Confident89.4Confident203 Ų20360.5 Ų60.577%0.76629%0.289SS*.THydrogen-bonded Turntrans-80.6-13.2175.7-67.5-177173.9175.4-1.2113.3D203 D208D203-R206 HydrophobicContact CB-CB 4.19Å; D203-R206 PolarHBondContact O-N 2.83Å; D203-R206 PolarHBondContact OD1-N 3.46Å; D203-R206 WeakPolarHBondContact OD2-CD 3.35Å; D203-R206 IonicContact OD2-NE 2.66Å; R206-D208 HydrophobicContact CB-CB 4.31Å; R206-D208 PolarHBondContact O-N 3.24Å
207R87Confident89.3Confident139 Ų13960.1 Ų60.153%0.52529%0.286SS..THydrogen-bonded Turntrans51.540.2-170.8-62.7-172.6178-173.7-1.6112D203 Q205 R419D203-R207 WeakPolarHBondContact O-CA 3.46Å; D203-R207 PolarHBondContact O-N 2.98Å; Q205-R207 VanDerWaalsContact C-N 3.3Å; R207-R419 VanDerWaalsContact O-CG 3.23Å; R207-R419 WeakPolarHBondContact O-CG 3.21Å
208D89.5Confident89.2Confident76 Ų7660.9 Ų60.941%0.40629%0.294SS..BIsolated β-bridgetrans-122.9146.5-179.1-161.225.7000111D203 R206 R419D203-D208 PolarHBondContact N-O 3.24Å; D203-D208 PolarHBondContact O-N 3.46Å; R206-D208 HydrophobicContact CB-CB 4.31Å; R206-D208 PolarHBondContact O-N 3.24Å; D208-R419 IonicContact OD1-CZ 2.7Å; D208-R419 IonicContact OD1-NE 2.66Å; D208-R419 IonicContact OD1-NH2 3.23Å; D208-R419 PolarHBondContact OD1-NH2 2.86Å
209V89.3Confident89.1Confident6 Ų662.5 Ų62.54%0.03630%0.301CS..  trans-130.7115-179-1740000107V198 A202 F211 R415 V418V198-V209 HydrophobicContact CG1-CG1 3.85Å; V198-V209 HydrophobicContact CG1-CG2 3.84Å; V198-V209 HydrophobicContact CG2-CG1 4.47Å; A202-V209 HydrophobicContact CB-CG2 3.96Å; V209-F211 HydrophobicContact CG1-CE1 4.39Å; V209-R415 HydrophobicContact CB-CB 4.2Å; V209-R415 HydrophobicContact CB-CG 3.95Å; V209-R415 HydrophobicContact CG2-CB 4.18Å; V209-R415 HydrophobicContact CG2-CG 4.08Å; V209-V418 HydrophobicContact CG2-CB 4.12Å; V209-V418 HydrophobicContact CG2-CG1 3.99Å; V209-V418 HydrophobicContact CG2-CG2 4.38Å
210D88.6Confident89.2Confident73 Ų7364.6 Ų64.639%0.3932%0.315SS..  trans-88.9110.8177.1-173.2-7.5000109.7V201 E212 L213V201-D210 WeakPolarHBondContact CG1-O 3.5Å; D210-E212 VanDerWaalsContact C-N 3.27Å; D210-E212 PolarHBondContact O-N 3.26Å; D210-E212 WeakPolarHBondContact OD1-CB 3.29Å; D210-E212 PolarHBondContact OD1-N 2.88Å; D210-L213 HydrophobicContact CB-CD1 4.17Å; D210-L213 HydrophobicContact CB-CG 4.32Å; D210-L213 PolarHBondContact O-N 3.42Å
211F89.8Confident89.1Confident52 Ų5264.2 Ų64.223%0.22832%0.316CS..G310 helixtrans-72-18.5179.3-76.8-47.8000113.7V209 L213 I214 L411 C412 R415V209-F211 HydrophobicContact CG1-CE1 4.39Å; F211-L213 PolarHBondContact O-N 3.31Å; F211-I214 HydrophobicContact CD1-CD1 4.22Å; F211-I214 PolarHBondContact O-N 3.29Å; F211-L411 HydrophobicContact CE1-CB 3.84Å; F211-L411 HydrophobicContact CZ-CB 4.35Å; F211-C412 HydrophobicContact CZ-CB 4.48Å; F211-R415 HydrophobicContact CE1-CB 4.47Å; F211-R415 HydrophobicContact CE2-CB 4.44Å; F211-R415 VanDerWaalsContact CE2-CD 3.46Å; F211-R415 HydrophobicContact CE2-CG 4.49Å; F211-R415 HydrophobicContact CZ-CB 3.75Å; F211-R415 HydrophobicContact CZ-CG 4.25Å
212E88.4Confident88.9Confident157 Ų15765.4 Ų65.473%0.73433%0.331SS*.G310 helixtrans-61.3-30.8177.4-64-172168.900111D210 I214 L337D210-E212 VanDerWaalsContact C-N 3.27Å; D210-E212 PolarHBondContact O-N 3.26Å; D210-E212 WeakPolarHBondContact OD1-CB 3.29Å; D210-E212 PolarHBondContact OD1-N 2.88Å; E212-I214 VanDerWaalsContact C-N 3.29Å; E212-I214 PolarHBondContact O-N 3.3Å; E212-L337 WeakPolarHBondContact O-CD2 3.36Å
213L90.8Very high89.1Confident23 Ų2373 Ų7312%0.1236%0.355CS..G310 helixtrans-77-9.3178.5-60.2179.6000114.3V201 D210 F211 I340 A387 V388V201-L213 HydrophobicContact CG1-CB 3.55Å; V201-L213 HydrophobicContact CG1-CD1 3.62Å; V201-L213 HydrophobicContact CG1-CG 4.15Å; V201-L213 HydrophobicContact CG2-CB 4.26Å; D210-L213 HydrophobicContact CB-CD1 4.17Å; D210-L213 HydrophobicContact CB-CG 4.32Å; D210-L213 PolarHBondContact O-N 3.42Å; F211-L213 PolarHBondContact O-N 3.31Å; L213-I340 HydrophobicContact CD2-CD1 3.88Å; L213-I340 HydrophobicContact CD2-CG2 3.81Å; L213-A387 WeakPolarHBondContact O-CA 3.33Å; L213-V388 PolarHBondContact O-N 3.23Å
214I92.7Very high89.3Confident13 Ų1371.8 Ų71.87%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-107.699.3177.8-55.9-178000108.9A197 V198 V201 F211 E212 V388 L411A197-I214 HydrophobicContact CB-CD1 4.37Å; A197-I214 HydrophobicContact CB-CG2 4.37Å; V198-I214 HydrophobicContact CG2-CD1 4.16Å; V201-I214 HydrophobicContact CB-CD1 4.36Å; V201-I214 HydrophobicContact CB-CG1 4.25Å; V201-I214 HydrophobicContact CG1-CG1 4.47Å; V201-I214 HydrophobicContact CG2-CD1 4.07Å; V201-I214 HydrophobicContact CG2-CG1 3.59Å; F211-I214 HydrophobicContact CD1-CD1 4.22Å; F211-I214 PolarHBondContact O-N 3.29Å; E212-I214 VanDerWaalsContact C-N 3.29Å; E212-I214 PolarHBondContact O-N 3.3Å; I214-V388 WeakPolarHBondContact CA-O 3.15Å; I214-V388 HydrophobicContact CB-CG2 4.28Å; I214-V388 HydrophobicContact CG1-CG2 3.84Å; I214-V388 HydrophobicContact CG2-CG2 4.15Å; I214-L411 HydrophobicContact CD1-CD2 4.28Å; I214-L411 HydrophobicContact CG2-CD1 3.99Å; I214-L411 HydrophobicContact CG2-CD2 4.45Å
215K92.8Very high89.7Confident26 Ų2673.7 Ų73.711%0.11336%0.356CS..EExtended strand (participates in β ladder)trans-81.7128.6175.6-163.3-172.5-167.2-152.10109.9E217 I234 E334 L337 V388 T389 C390K215-E217 HydrophobicContact CD-CG 3.82Å; K215-E217 WeakPolarHBondContact CE-OE1 3.42Å; K215-E217 HydrophobicContact CG-CG 4.12Å; K215-E217 IonicContact NZ-OE1 2.61Å; K215-E217 PolarHBondContact NZ-OE1 2.83Å; K215-I234 PolarHBondContact NZ-O 2.91Å; K215-E334 IonicContact NZ-OE1 2.66Å; K215-E334 PolarHBondContact NZ-OE1 3.08Å; K215-L337 HydrophobicContact CB-CD1 4.06Å; K215-L337 HydrophobicContact CD-CD1 4.14Å; K215-L337 HydrophobicContact CG-CD1 4.16Å; K215-V388 PolarHBondContact N-O 2.84Å; K215-T389 HydrophobicContact CB-CG2 4.01Å; K215-T389 HydrophobicContact CD-CG2 4.26Å; K215-T389 HydrophobicContact CG-CG2 4.35Å; K215-T389 CarbonylContact O-C 3.41Å; K215-T389 WeakPolarHBondContact O-CA 3.27Å; K215-C390 PolarHBondContact O-N 2.98Å
216V93.4Very high90Very high41 Ų4168.6 Ų68.625%0.24834%0.335CS..EExtended strand (participates in β ladder)trans-107.9104.9171.7-175.10000109.1C390 I392 K404 L407 L411V216-C390 HydrophobicContact CG2-CB 4.33Å; V216-I392 HydrophobicContact CG1-CD1 3.74Å; V216-I392 HydrophobicContact CG1-CG1 4.39Å; V216-K404 HydrophobicContact CG1-CB 4.29Å; V216-K404 HydrophobicContact CG1-CG 3.94Å; V216-L407 HydrophobicContact CG1-CD2 4.21Å; V216-L407 HydrophobicContact CG2-CD2 4.45Å; V216-L411 HydrophobicContact CG2-CD1 4.15Å
217E92Very high90.2Very high43 Ų4359.3 Ų59.320%0.20130%0.3CS..EExtended strand (participates in β ladder)trans-106.6149.5177.2-80.7-63.7177.700111.4K215 T389 C390 F391 I392K215-E217 HydrophobicContact CD-CG 3.82Å; K215-E217 WeakPolarHBondContact CE-OE1 3.42Å; K215-E217 HydrophobicContact CG-CG 4.12Å; K215-E217 IonicContact NZ-OE1 2.61Å; K215-E217 PolarHBondContact NZ-OE1 2.83Å; E217-T389 HydrophobicContact CB-CG2 4.19Å; E217-T389 HydrophobicContact CG-CG2 4.27Å; E217-C390 PolarHBondContact N-O 3.12Å; E217-C390 VanDerWaalsContact O-O 3.14Å; E217-F391 HydrophobicContact CB-CD2 4.38Å; E217-F391 CarbonylContact O-C 3.32Å; E217-F391 WeakPolarHBondContact O-CA 3.39Å; E217-I392 PolarHBondContact O-N 2.91Å
218G91.7Very high90.5Very high16 Ų1655.7 Ų55.717%0.16529%0.291CS..EExtended strand (participates in β ladder)trans-154.4137.4177.800000113.1I392G218-I392 WeakPolarHBondContact CA-O 3.47Å
219K90.4Very high90.6Very high33 Ų3354 Ų5414%0.14328%0.282CS..EExtended strand (participates in β ladder)trans-127.6141-176.4-85.8-81.4-172.81780109.9D236 E374 M376 F391 I392 R393K219-D236 WeakPolarHBondContact CE-OD1 3.18Å; K219-D236 WeakPolarHBondContact CE-OD2 3.37Å; K219-D236 VanDerWaalsContact NZ-CG 3.33Å; K219-D236 IonicContact NZ-OD1 3.65Å; K219-D236 PolarHBondContact NZ-OD1 3.43Å; K219-D236 IonicContact NZ-OD2 3.36Å; K219-D236 PolarHBondContact NZ-OD2 2.96Å; K219-E374 IonicContact NZ-OE2 3.8Å; K219-E374 PolarHBondContact NZ-OE2 3.29Å; K219-M376 HydrophobicContact CD-SD 4.26Å; K219-M376 VanDerWaalsContact CE-SD 3.55Å; K219-M376 HydrophobicContact CG-CE 3.97Å; K219-M376 HydrophobicContact CG-SD 3.65Å; K219-F391 HydrophobicContact CB-CE2 3.95Å; K219-F391 HydrophobicContact CB-CZ 4.08Å; K219-F391 HydrophobicContact CG-CE2 4.13Å; K219-F391 HydrophobicContact CG-CZ 4.47Å; K219-I392 PolarHBondContact N-O 3.44Å; K219-R393 PolarHBondContact O-NE 3.48Å
220V91.2Very high90.7Very high78 Ų7853.9 Ų53.947%0.47328%0.281SS..EExtended strand (participates in β ladder)trans-68.7145.2174.7-175.50000110R397V220-R397 HydrophobicContact CG2-CB 4Å
221G87.3Confident90.8Very high24 Ų2456.4 Ų56.425%0.24729%0.289CS..BIsolated β-bridgetrans109.6161.2-178.700000112.1R393 G394G221-R393 VanDerWaalsContact O-CZ 3.26Å; G221-R393 PolarHBondContact O-NE 3.32Å; G221-R393 PolarHBondContact O-NH2 3.47Å; G221-R393 VanDerWaalsContact O-NH2 3.14Å; G221-G394 CarbonylContact C-O 3.23Å; G221-G394 WeakPolarHBondContact CA-O 3.16Å; G221-G394 PolarHBondContact N-O 3.12Å; G221-G394 PolarHBondContact O-N 2.72Å
222G86.2Confident90.8Very high36 Ų3654 Ų5437%0.37128%0.278SS..SBendtrans73.6-168.6-175.200000112.9D226 S395G222-D226 WeakPolarHBondContact CA-OD2 3.38Å; G222-S395 PolarHBondContact O-N 3.27Å
223R89.8Confident91Very high176 Ų17646.6 Ų46.666%0.66424%0.244SC*.  trans-103.4163.2173.6-62.2179.4179.3-176.31109.7E225 D226 R393R223-E225 HydrophobicContact CB-CB 4.45Å; R223-E225 PolarHBondContact O-N 3.28Å; R223-D226 PolarHBondContact N-OD2 3.12Å; R223-D226 WeakPolarHBondContact O-CB 3.28Å; R223-D226 PolarHBondContact O-N 3.43Å; R223-D226 VanDerWaalsContact O-N 3.08Å; R223-R393 WeakPolarHBondContact O-CB 3.47Å
224L90.2Very high91Very high29 Ų2945.5 Ų45.515%0.15224%0.238CC..G310 helixtrans-56.5-34.8172-75172.2000111.7M189 F190 D226 S227 R393 I399 A403M189-L224 WeakPolarHBondContact CE-O 3.5Å; F190-L224 HydrophobicContact CZ-CD2 4.4Å; L224-D226 PolarHBondContact O-N 2.83Å; L224-S227 VanDerWaalsContact O-CB 3.25Å; L224-S227 WeakPolarHBondContact O-CB 3.22Å; L224-S227 PolarHBondContact O-N 3.17Å; L224-S227 PolarHBondContact O-OG 2.99Å; L224-R393 WeakPolarHBondContact CA-O 3.3Å; L224-R393 WeakPolarHBondContact CD2-O 3.25Å; L224-I399 HydrophobicContact CD1-CG2 3.96Å; L224-I399 HydrophobicContact CD2-CG2 3.49Å; L224-I399 VanDerWaalsContact CD2-CG2 3.49Å; L224-I399 HydrophobicContact CG-CG2 3.84Å; L224-A403 HydrophobicContact CD2-CB 3.87Å
225E91Very high91Very high117 Ų11745 Ų4555%0.54724%0.236SC..G310 helixtrans-62.3-21.4177.3-64167.617800113.8R223 S227R223-E225 HydrophobicContact CB-CB 4.45Å; R223-E225 PolarHBondContact O-N 3.28Å; E225-S227 PolarHBondContact O-N 3.24Å
226D90.3Very high90.9Very high80 Ų8046.6 Ų46.643%0.42825%0.246SC..G310 helixtrans-811.1178.4-58.3-37.6000112.4G222 R223 L224 R393G222-D226 WeakPolarHBondContact CA-OD2 3.38Å; R223-D226 PolarHBondContact N-OD2 3.12Å; R223-D226 WeakPolarHBondContact O-CB 3.28Å; R223-D226 PolarHBondContact O-N 3.43Å; R223-D226 VanDerWaalsContact O-N 3.08Å; L224-D226 PolarHBondContact O-N 2.83Å; D226-R393 HydrophobicContact CB-CB 4.12Å; D226-R393 HydrophobicContact CB-CG 4.15Å
227S92.1Very high90.7Very high7 Ų748.4 Ų48.45%0.04925%0.25CS..  trans-72139177.5-53.30000110.5L224 E225 F391 R393L224-S227 VanDerWaalsContact O-CB 3.25Å; L224-S227 WeakPolarHBondContact O-CB 3.22Å; L224-S227 PolarHBondContact O-N 3.17Å; L224-S227 PolarHBondContact O-OG 2.99Å; E225-S227 PolarHBondContact O-N 3.24Å; S227-F391 CarbonylContact C-O 3.51Å; S227-F391 WeakPolarHBondContact CA-O 3.37Å; S227-F391 VanDerWaalsContact CB-O 3.3Å; S227-F391 WeakPolarHBondContact CB-O 3.32Å; S227-R393 PolarHBondContact OG-N 3.14Å
228L92.1Very high90.6Very high64 Ų6450.8 Ų50.834%0.33526%0.264SS..EExtended strand (participates in β ladder)trans-144.7150-17263.799000112.6V230 F391L228-V230 HydrophobicContact CD1-CG2 3.26Å; L228-F391 HydrophobicContact CD2-CD1 4.25Å; L228-F391 HydrophobicContact CG-CB 4.34Å; L228-F391 HydrophobicContact CG-CD1 4.19Å; L228-F391 PolarHBondContact N-O 2.87Å; L228-F391 WeakPolarHBondContact O-CB 3.3Å; L228-F391 PolarHBondContact O-N 2.97Å
229L93.4Very high90.6Very high41 Ų4150.5 Ų50.522%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-87.7116.8171.4-175.562.5000109.8M193 D196 A197 V388M193-L229 HydrophobicContact CG-CB 4.14Å; D196-L229 HydrophobicContact CB-CD2 3.54Å; A197-L229 HydrophobicContact CB-CD1 3.87Å; A197-L229 HydrophobicContact CB-CD2 4.43Å; L229-V388 HydrophobicContact CD1-CB 4.15Å; L229-V388 HydrophobicContact CD1-CG2 4.46Å
230V90.9Very high90.7Very high3 Ų349.4 Ų49.42%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-93.4121.4170.8179.80000109.1L228 G232 I234 V378 E380 T389L228-V230 HydrophobicContact CD1-CG2 3.26Å; V230-G232 PolarHBondContact O-N 2.96Å; V230-I234 HydrophobicContact CB-CD1 4.32Å; V230-I234 HydrophobicContact CB-CG1 4.31Å; V230-I234 HydrophobicContact CG1-CG1 4.47Å; V230-I234 HydrophobicContact CG2-CD1 3.69Å; V230-I234 HydrophobicContact CG2-CG1 4.05Å; V230-V378 HydrophobicContact CB-CG1 4.44Å; V230-V378 HydrophobicContact CG1-CG1 3.5Å; V230-V378 VanDerWaalsContact CG1-CG1 3.5Å; V230-V378 HydrophobicContact CG2-CG1 4.07Å; V230-E380 HydrophobicContact CG1-CG 3.96Å; V230-T389 PolarHBondContact N-O 2.96Å; V230-T389 PolarHBondContact O-N 3.21Å
231K89.5Confident90.6Very high125 Ų12547.6 Ų47.654%0.54324%0.241SC..SBendtrans-77.479.4167.6-66.8-173.6178.3-175.90110
232G89.9Confident90.5Very high1 Ų151.9 Ų51.91%0.0127%0.265CS..EExtended strand (participates in β ladder)trans152.9-151.3-176.800000111.1V230 I379 A387 V388 T389V230-G232 PolarHBondContact O-N 2.96Å; G232-I379 VanDerWaalsContact CA-O 3.3Å; G232-I379 WeakPolarHBondContact CA-O 3.38Å; G232-A387 PolarHBondContact N-O 2.9Å; G232-V388 CarbonylContact O-C 3.49Å; G232-T389 PolarHBondContact O-N 3.08Å; G232-T389 VanDerWaalsContact O-N 3.14Å; G232-T389 PolarHBondContact O-OG1 3.18Å
233V92.5Very high90.7Very high2 Ų257 Ų571%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-120.7134-171.3-172.90000110.9V235 L337 I338 A341 I379 T389V233-V235 HydrophobicContact CG1-CG2 4.4Å; V233-L337 HydrophobicContact CG1-CB 4.36Å; V233-L337 HydrophobicContact CG2-CB 4.09Å; V233-I338 HydrophobicContact CB-CG1 4.1Å; V233-I338 HydrophobicContact CG1-CG1 3.91Å; V233-I338 HydrophobicContact CG2-CG1 4.35Å; V233-A341 HydrophobicContact CG2-CB 3.81Å; V233-I379 PolarHBondContact N-O 2.87Å; V233-I379 VanDerWaalsContact N-O 3.15Å; V233-I379 PolarHBondContact O-N 2.98Å; V233-T389 WeakPolarHBondContact CA-OG1 3.47Å
234I92.6Very high90.6Very high1 Ų149 Ų491%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-101.8133.4167.9-54.6178.3000109.2K215 V230 M376 L377 V378 T389 F391K215-I234 PolarHBondContact NZ-O 2.91Å; V230-I234 HydrophobicContact CB-CD1 4.32Å; V230-I234 HydrophobicContact CB-CG1 4.31Å; V230-I234 HydrophobicContact CG1-CG1 4.47Å; V230-I234 HydrophobicContact CG2-CD1 3.69Å; V230-I234 HydrophobicContact CG2-CG1 4.05Å; I234-M376 HydrophobicContact CG2-CB 4.14Å; I234-M376 HydrophobicContact CG2-CE 3.8Å; I234-M376 HydrophobicContact CG2-SD 4.12Å; I234-L377 WeakPolarHBondContact CA-O 3.43Å; I234-V378 HydrophobicContact CG1-CG1 4.23Å; I234-V378 HydrophobicContact CG1-CG2 4.15Å; I234-V378 HydrophobicContact CG2-CG2 4.42Å; I234-T389 HydrophobicContact CB-CG2 3.87Å; I234-T389 HydrophobicContact CD1-CG2 3.75Å; I234-T389 HydrophobicContact CG1-CG2 3.7Å; I234-T389 PolarHBondContact N-OG1 3.26Å; I234-F391 HydrophobicContact CD1-CB 3.51Å; I234-F391 HydrophobicContact CD1-CD2 4Å; I234-F391 HydrophobicContact CD1-CG 3.76Å
235V92.2Very high90.6Very high1 Ų150.8 Ų50.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-117.3127175.6-176.80000108.6V233 K237 V330 I338 L377V233-V235 HydrophobicContact CG1-CG2 4.4Å; V235-K237 HydrophobicContact CG1-CB 3.93Å; V235-K237 HydrophobicContact CG1-CG 3.8Å; V235-K237 PolarHBondContact O-N 3.21Å; V235-V330 HydrophobicContact CG1-CG1 4.05Å; V235-V330 HydrophobicContact CG1-CG2 4.14Å; V235-I338 HydrophobicContact CG2-CD1 3.72Å; V235-L377 HydrophobicContact CB-CB 4.49Å; V235-L377 PolarHBondContact N-O 3.43Å; V235-L377 PolarHBondContact O-N 3Å
236D89.6Confident90.4Very high61 Ų6152 Ų5233%0.32626%0.262SS..SBendtrans-78.859.1176.7-16819.7000111.3K219 M376K219-D236 WeakPolarHBondContact CE-OD1 3.18Å; K219-D236 WeakPolarHBondContact CE-OD2 3.37Å; K219-D236 VanDerWaalsContact NZ-CG 3.33Å; K219-D236 IonicContact NZ-OD1 3.65Å; K219-D236 PolarHBondContact NZ-OD1 3.43Å; K219-D236 IonicContact NZ-OD2 3.36Å; K219-D236 PolarHBondContact NZ-OD2 2.96Å; D236-M376 HydrophobicContact CB-SD 4.28Å
237K90.6Very high90.5Very high79 Ų7951.5 Ų51.534%0.34327%0.265SS..  trans-144.9153.3177-59.2-64160.8-156.50110.8V235 V327 W329 L377V235-K237 HydrophobicContact CG1-CB 3.93Å; V235-K237 HydrophobicContact CG1-CG 3.8Å; V235-K237 PolarHBondContact O-N 3.21Å; K237-V327 HydrophobicContact CB-CG1 3.78Å; K237-V327 HydrophobicContact CG-CG1 4.42Å; K237-W329 VanDerWaalsContact CE-O 3.24Å; K237-W329 WeakPolarHBondContact CE-O 3.43Å; K237-L377 PolarHBondContact O-N 3.3Å
238D89.5Confident90.5Very high92 Ų9251.9 Ų51.949%0.49227%0.267SS..  trans-95.5172.8169.858.4-10.8000111.5E366 R375D238-E366 WeakPolarHBondContact CB-OE1 3.36Å; D238-R375 HydrophobicContact CB-CB 4.43Å
239F91.9Very high90.5Very high10 Ų1055.7 Ų55.74%0.04428%0.283CS..  trans-66.9142.6168.9-73-73.6000110.4H241 M244 P245 V248 L304 P325 V327 V364 E366 L377F239-H241 PolarHBondContact O-N 3.02Å; F239-H241 VanDerWaalsContact O-N 3.1Å; F239-M244 HydrophobicContact CB-CB 4.1Å; F239-M244 HydrophobicContact CB-SD 4.28Å; F239-M244 HydrophobicContact CG-CB 4.48Å; F239-P245 WeakPolarHBondContact CE2-O 3.42Å; F239-V248 HydrophobicContact CZ-CG2 4.46Å; F239-L304 HydrophobicContact CE1-CD1 3.76Å; F239-P325 HydrophobicContact CD1-CB 3.96Å; F239-P325 HydrophobicContact CE1-CB 3.74Å; F239-V327 HydrophobicContact CD1-CG2 4.24Å; F239-V327 HydrophobicContact CE1-CG2 4.44Å; F239-V364 HydrophobicContact CZ-CG1 4.36Å; F239-E366 HydrophobicContact CD2-CB 4.24Å; F239-E366 HydrophobicContact CE2-CB 4.01Å; F239-L377 HydrophobicContact CD1-CD1 4.16Å; F239-L377 HydrophobicContact CD2-CD1 4.36Å; F239-L377 HydrophobicContact CE1-CD1 3.57Å; F239-L377 HydrophobicContact CE2-CD1 3.81Å; F239-L377 HydrophobicContact CZ-CD1 3.38Å
240S91.3Very high90.4Very high11 Ų1159.5 Ų59.58%0.07730%0.304CS..SBendtrans-63-23.7-170.262.40000114.7M244 N316 A326S240-M244 WeakPolarHBondContact OG-CE 3.34Å; S240-M244 PolarHBondContact OG-SD 3.28Å; S240-N316 WeakPolarHBondContact CB-OD1 3.39Å; S240-N316 PolarHBondContact O-ND2 3.24Å; S240-N316 PolarHBondContact OG-OD1 2.97Å; S240-A326 WeakPolarHBondContact CB-O 3.27Å; S240-A326 PolarHBondContact N-O 3.36Å; S240-A326 PolarHBondContact OG-O 2.88Å
241H89.3Confident90.4Very high39 Ų3959.4 Ų59.418%0.18130%0.303CS..SBendtrans-128.7133.7177.9-166.6-81.1000110.8F239 Q243 M244F239-H241 PolarHBondContact O-N 3.02Å; F239-H241 VanDerWaalsContact O-N 3.1Å; H241-Q243 PolarHBondContact CE1-OE1 3.03Å; H241-Q243 WeakPolarHBondContact ND1-CB 3.25Å; H241-Q243 PolarHBondContact ND1-N 3.43Å; H241-Q243 PolarHBondContact O-N 3.2Å; H241-M244 HydrophobicContact CB-CE 3.93Å; H241-M244 HydrophobicContact CB-CG 3.99Å; H241-M244 HydrophobicContact CB-SD 3.98Å; H241-M244 WeakPolarHBondContact O-CB 3.26Å; H241-M244 PolarHBondContact O-N 3.3Å
242P86.7Confident90.6Very high114 Ų11458.6 Ų58.674%0.7430%0.297SS*.THydrogen-bonded Turntrans-64-19.7-174.324.7-35.9000114.8
243Q88.9Confident90.7Very high144 Ų14458.5 Ų58.567%0.67330%0.296SS*.THydrogen-bonded Turntrans-88.4-3.5176.1-62.4179.8-37.100113.8H241 L320H241-Q243 PolarHBondContact CE1-OE1 3.03Å; H241-Q243 WeakPolarHBondContact ND1-CB 3.25Å; H241-Q243 PolarHBondContact ND1-N 3.43Å; H241-Q243 PolarHBondContact O-N 3.2Å; Q243-L320 HydrophobicContact CB-CD1 3.96Å; Q243-L320 HydrophobicContact CB-CD2 4.18Å
244M88.8Confident90.9Very high9 Ų958.4 Ų58.44%0.04430%0.296CS..SBendtrans-66.9150.4173.4-75.5173.117700110.7F239 S240 H241 L319 L320 A326F239-M244 HydrophobicContact CB-CB 4.1Å; F239-M244 HydrophobicContact CB-SD 4.28Å; F239-M244 HydrophobicContact CG-CB 4.48Å; S240-M244 WeakPolarHBondContact OG-CE 3.34Å; S240-M244 PolarHBondContact OG-SD 3.28Å; H241-M244 HydrophobicContact CB-CE 3.93Å; H241-M244 HydrophobicContact CB-CG 3.99Å; H241-M244 HydrophobicContact CB-SD 3.98Å; H241-M244 WeakPolarHBondContact O-CB 3.26Å; H241-M244 PolarHBondContact O-N 3.3Å; M244-L319 HydrophobicContact CE-CB 4.17Å; M244-L320 HydrophobicContact CE-CB 4.49Å; M244-L320 HydrophobicContact CG-CD1 3.86Å; M244-A326 HydrophobicContact CE-CB 4.18Å; M244-A326 PolarHBondContact SD-N 3.14Å; M244-A326 VanDerWaalsContact SD-N 3.37Å
245P89Confident91Very high66 Ų6658.4 Ų58.443%0.42930%0.296SS..  trans-62.2138.7176.427.9-36.3000110.5F239 S247 V248 P325F239-P245 WeakPolarHBondContact CE2-O 3.42Å; P245-S247 VanDerWaalsContact C-N 3.27Å; P245-S247 PolarHBondContact O-N 2.82Å; P245-V248 HydrophobicContact CG-CG2 4.49Å; P245-P325 HydrophobicContact CG-CG 3.53Å
246R88.3Confident91.2Very high142 Ų14258.4 Ų58.454%0.53630%0.295SS..SBendtrans-78.2-11.7180-61-169.5-174.5172.91.3113.8R365 E366R246-R365 WeakPolarHBondContact O-CA 3.25Å; R246-E366 HydrophobicContact CB-CB 4.26Å; R246-E366 WeakPolarHBondContact CG-OE2 3.44Å; R246-E366 IonicContact NE-OE2 3.66Å; R246-E366 WeakPolarHBondContact O-CB 3.3Å; R246-E366 PolarHBondContact O-N 2.64Å
247S91.5Very high91.4Very high70 Ų7057.2 Ų57.249%0.4929%0.29SS..EExtended strand (participates in β ladder)trans-140.5137.5177.5590000110.5P245 V364P245-S247 VanDerWaalsContact C-N 3.27Å; P245-S247 PolarHBondContact O-N 2.82Å; S247-V364 CarbonylContact C-O 3.4Å; S247-V364 VanDerWaalsContact CA-O 3.27Å; S247-V364 WeakPolarHBondContact CA-O 3.24Å
248V92Very high91.4Very high15 Ų1554.1 Ų54.19%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-126.3116.6176.3-175.30000107.9F239 P245 A251 P325 V364F239-V248 HydrophobicContact CZ-CG2 4.46Å; P245-V248 HydrophobicContact CG-CG2 4.49Å; V248-A251 HydrophobicContact CG1-CB 4.26Å; V248-P325 HydrophobicContact CG2-CB 4.16Å; V248-P325 HydrophobicContact CG2-CG 3.78Å; V248-V364 HydrophobicContact CB-CB 4.44Å; V248-V364 PolarHBondContact N-O 3.05Å; V248-V364 PolarHBondContact O-N 3.39Å
249E91.6Very high91.6Very high144 Ų14451.9 Ų51.967%0.67327%0.269SS*.EExtended strand (participates in β ladder)trans-88.7147.6173.4-64.1-176171.900110.6A251 L363E249-A251 PolarHBondContact O-N 3.04Å; E249-L363 HydrophobicContact CG-CD1 4.14Å
250N91.1Very high91.5Very high121 Ų12151.4 Ų51.465%0.64727%0.267SS*.EExtended strand (participates in β ladder)trans49.953.9-178.7-61.5-51.5000112.2R252 N303 A361 G362N250-R252 PolarHBondContact O-N 3.41Å; N250-N303 PolarHBondContact O-ND2 3.26Å; N250-A361 CarbonylContact C-O 3.33Å; N250-G362 PolarHBondContact N-O 2.9Å
251A91Very high91.5Very high1 Ų154.1 Ų54.11%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-64.8126.2-17900000112V248 E249 L253 N303 L304 K360 A361 V364V248-A251 HydrophobicContact CG1-CB 4.26Å; E249-A251 PolarHBondContact O-N 3.04Å; A251-L253 HydrophobicContact CB-CD1 3.97Å; A251-L253 HydrophobicContact CB-CG 4.24Å; A251-N303 WeakPolarHBondContact CA-ND2 3.38Å; A251-N303 WeakPolarHBondContact CA-OD1 3.45Å; A251-L304 HydrophobicContact CB-CD2 4.49Å; A251-K360 WeakPolarHBondContact O-CA 2.97Å; A251-A361 WeakPolarHBondContact CA-O 3.4Å; A251-A361 HydrophobicContact CB-CB 4.33Å; A251-A361 PolarHBondContact N-O 3.19Å; A251-A361 PolarHBondContact O-N 2.88Å; A251-V364 HydrophobicContact CB-CG2 3.67Å
252R93.9Very high91.4Very high107 Ų10753.4 Ų53.440%0.40428%0.277SS..EExtended strand (participates in β ladder)trans-105.999.8164-70.7-177.7-72.4172.4-0.3107.8N250 G301 A302 N303 L304 L358 G359N250-R252 PolarHBondContact O-N 3.41Å; R252-G301 PolarHBondContact NE-O 3.18Å; R252-G301 PolarHBondContact NH1-O 2.92Å; R252-G301 PolarHBondContact NH2-O 3.19Å; R252-A302 WeakPolarHBondContact O-CA 3.42Å; R252-N303 PolarHBondContact N-ND2 3.42Å; R252-N303 PolarHBondContact N-OD1 3.27Å; R252-N303 PolarHBondContact O-N 3.19Å; R252-N303 PolarHBondContact O-OD1 3.43Å; R252-L304 PolarHBondContact O-N 3.4Å; R252-L358 HydrophobicContact CB-CD1 4.33Å; R252-G359 CarbonylContact C-O 3.57Å; R252-G359 VanDerWaalsContact CA-O 3.25Å; R252-G359 WeakPolarHBondContact CA-O 3.24Å
253L93.6Very high91.4Very high0 Ų051.8 Ų51.80%027%0.267CS..EExtended strand (participates in β ladder)trans-89.2125.4-169.2-55.393.2000110.8A251 L304 I306 I338 T342 L358 G359 A361 I379A251-L253 HydrophobicContact CB-CD1 3.97Å; A251-L253 HydrophobicContact CB-CG 4.24Å; L253-L304 CarbonylContact C-O 3.6Å; L253-L304 WeakPolarHBondContact CA-O 3.34Å; L253-L304 HydrophobicContact CD2-CD2 3.59Å; L253-L304 HydrophobicContact CD2-CG 4.35Å; L253-L304 HydrophobicContact CG-CB 4.42Å; L253-L304 HydrophobicContact CG-CD2 3.99Å; L253-L304 HydrophobicContact CG-CG 4.46Å; L253-I306 HydrophobicContact CD2-CD1 3.58Å; L253-I306 HydrophobicContact CD2-CG1 4.47Å; L253-I338 HydrophobicContact CD2-CG2 4.45Å; L253-T342 HydrophobicContact CD1-CG2 3.87Å; L253-T342 HydrophobicContact CD2-CG2 4.34Å; L253-L358 WeakPolarHBondContact O-CA 3.25Å; L253-G359 WeakPolarHBondContact CD1-O 3.46Å; L253-G359 PolarHBondContact N-O 2.94Å; L253-G359 PolarHBondContact O-N 3.4Å; L253-A361 HydrophobicContact CD1-CB 3.79Å; L253-I379 HydrophobicContact CD2-CD1 4.06Å
254A95.5Very high91.2Very high0 Ų051.2 Ų51.20%026%0.262CS..EExtended strand (participates in β ladder)trans-88.5114.6164.400000108.9L256 V297 A302 L304 I306 L353 L358A254-L256 HydrophobicContact CB-CG 4.42Å; A254-V297 HydrophobicContact CB-CG1 4.38Å; A254-A302 HydrophobicContact CB-CB 3.93Å; A254-L304 PolarHBondContact N-O 2.92Å; A254-I306 PolarHBondContact O-N 2.94Å; A254-L353 HydrophobicContact CB-CD1 4.2Å; A254-L353 HydrophobicContact CB-CD2 4.19Å; A254-L358 HydrophobicContact CB-CD2 3.93Å
255I95.6Very high91.2Very high1 Ų153.9 Ų53.91%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-99.4108.2-179.8-54.4174.6000108.2I335 I338 A339 I346 V347I255-I335 HydrophobicContact CG2-CG2 3.62Å; I255-I338 HydrophobicContact CD1-CG2 3.92Å; I255-I338 HydrophobicContact CG1-CG2 4.33Å; I255-A339 HydrophobicContact CD1-CB 3.89Å; I255-I346 HydrophobicContact CG2-CG1 4.14Å; I255-V347 PolarHBondContact O-N 3.2Å
256L95.1Very high91.2Very high0 Ų061.3 Ų61.30%031%0.305CS..EExtended strand (participates in β ladder)trans-119.3137.6-169.2-58.3177.6000111.7A254 F260 V297 V305 I306 C307 Q308 V347 F350 L353A254-L256 HydrophobicContact CB-CG 4.42Å; L256-F260 HydrophobicContact CD1-CE2 3.73Å; L256-F260 HydrophobicContact CD1-CZ 3.86Å; L256-V297 HydrophobicContact CD1-CG2 4.42Å; L256-V305 HydrophobicContact CD1-CG1 3.73Å; L256-I306 PolarHBondContact N-O 3.35Å; L256-C307 WeakPolarHBondContact O-CA 3.44Å; L256-Q308 PolarHBondContact O-N 2.9Å; L256-V347 WeakPolarHBondContact CA-O 3.44Å; L256-V347 HydrophobicContact CD2-CB 4.1Å; L256-V347 HydrophobicContact CD2-CG1 4.49Å; L256-F350 HydrophobicContact CD1-CD1 4.27Å; L256-F350 HydrophobicContact CD1-CE1 3.75Å; L256-L353 HydrophobicContact CD2-CD1 3.99Å; L256-L353 HydrophobicContact CD2-CD2 4.47Å
257T94.7Very high91.4Very high36 Ų3659.5 Ų59.522%0.22131%0.31CS..  trans-109.87.4169.656.40000112.7Q308 W309 I346 V347 P348T257-Q308 HydrophobicContact CG2-CB 4.36Å; T257-W309 PolarHBondContact O-NE1 3.29Å; T257-W309 VanDerWaalsContact O-NE1 3.15Å; T257-I346 HydrophobicContact CG2-CG2 3.36Å; T257-V347 PolarHBondContact N-O 2.94Å; T257-V347 PolarHBondContact OG1-O 2.91Å; T257-P348 VanDerWaalsContact OG1-CA 3.31Å; T257-P348 WeakPolarHBondContact OG1-CA 3.38Å
258C91Very high91.3Very high14 Ų1466.6 Ų66.610%0.09533%0.332CS..SBendtrans-97.3136.1169.851.50000111.8C307 P348 F350C258-C307 PolarHBondContact O-SG 3.46Å; C258-P348 WeakPolarHBondContact CB-O 3.32Å; C258-F350 HydrophobicContact CB-CD2 4.48Å; C258-F350 HydrophobicContact CB-CE2 4.08Å; C258-F350 HydrophobicContact CB-CZ 4.46Å; C258-F350 VanDerWaalsContact SG-CE2 3.54Å; C258-F350 VanDerWaalsContact SG-CZ 3.58Å
259P92.6Very high91Very high46 Ų4670.2 Ų70.230%0.29935%0.348SS..  trans-68.6152.4174.829.4-34.7000111.7E261 W309 F350P259-E261 HydrophobicContact CB-CB 4.36Å; P259-E261 HydrophobicContact CB-CG 4.21Å; P259-E261 HydrophobicContact CG-CB 4.5Å; P259-E261 PolarHBondContact O-N 3Å; P259-E261 VanDerWaalsContact O-N 3.1Å; P259-W309 HydrophobicContact CB-CB 3.78Å; P259-W309 HydrophobicContact CB-CG 4.44Å; P259-F350 WeakPolarHBondContact O-CE2 3.44Å
260F91Very high90.8Very high0 Ų069.9 Ų69.90%035%0.351CS..BIsolated β-bridgetrans-84.973.3166.2-74.9-104.7000109.1L256 M293 V294 V297 V305 G310 F311 D312 A315 L319 F350L256-F260 HydrophobicContact CD1-CE2 3.73Å; L256-F260 HydrophobicContact CD1-CZ 3.86Å; F260-M293 HydrophobicContact CD1-CB 4.47Å; F260-V294 HydrophobicContact CE1-CG2 4.4Å; F260-V297 HydrophobicContact CE1-CG2 4.41Å; F260-V297 HydrophobicContact CZ-CG2 4.16Å; F260-V305 HydrophobicContact CE2-CG1 3.71Å; F260-V305 HydrophobicContact CZ-CG1 3.78Å; F260-G310 PolarHBondContact N-O 2.75Å; F260-F311 HydrophobicContact CB-CB 4.29Å; F260-F311 HydrophobicContact CB-CD1 3.79Å; F260-F311 HydrophobicContact CB-CG 4.4Å; F260-F311 AromaticContact CD2-CD1 3.37Å; F260-F311 HydrophobicContact CD2-CD1 3.37Å; F260-F311 AromaticContact CD2-CE1 3.32Å; F260-F311 HydrophobicContact CD2-CE1 3.32Å; F260-F311 HydrophobicContact CD2-CG 4.45Å; F260-F311 HydrophobicContact CD2-CZ 4.4Å; F260-F311 HydrophobicContact CE2-CD1 4.2Å; F260-F311 AromaticContact CE2-CE1 3.72Å; F260-F311 HydrophobicContact CE2-CE1 3.72Å; F260-F311 HydrophobicContact CE2-CZ 4.47Å; F260-F311 AromaticContact CG-CD1 3.88Å; F260-F311 HydrophobicContact CG-CD1 3.88Å; F260-F311 HydrophobicContact CG-CE1 4.24Å; F260-D312 PolarHBondContact O-N 3.11Å; F260-D312 VanDerWaalsContact O-N 3.1Å; F260-A315 HydrophobicContact CB-CB 3.78Å; F260-A315 HydrophobicContact CD1-CB 4.38Å; F260-A315 HydrophobicContact CG-CB 4.5Å; F260-L319 HydrophobicContact CD1-CD1 4.33Å; F260-L319 HydrophobicContact CE1-CD1 4.22Å; F260-L319 HydrophobicContact CE1-CD2 4.16Å; F260-L319 HydrophobicContact CZ-CD1 4.4Å; F260-L319 HydrophobicContact CZ-CD2 4.37Å; F260-F350 HydrophobicContact CD1-CE1 4.13Å; F260-F350 HydrophobicContact CD1-CZ 4.01Å; F260-F350 HydrophobicContact CD2-CE1 4.22Å; F260-F350 AromaticContact CD2-CZ 3.95Å; F260-F350 HydrophobicContact CD2-CZ 3.95Å; F260-F350 AromaticContact CE1-CE1 3.71Å; F260-F350 HydrophobicContact CE1-CE1 3.71Å; F260-F350 HydrophobicContact CE1-CZ 4.08Å; F260-F350 AromaticContact CE2-CE1 3.85Å; F260-F350 HydrophobicContact CE2-CE1 3.85Å; F260-F350 HydrophobicContact CE2-CZ 4.05Å; F260-F350 HydrophobicContact CG-CE1 4.38Å; F260-F350 AromaticContact CG-CZ 3.96Å; F260-F350 HydrophobicContact CG-CZ 3.96Å; F260-F350 AromaticContact CZ-CE1 3.58Å; F260-F350 HydrophobicContact CZ-CE1 3.58Å; F260-F350 HydrophobicContact CZ-CZ 4.12Å
261E90.1Very high90.5Very high68 Ų6869.2 Ų69.232%0.31835%0.347SS..SBendtrans-135.1156.2177.5-75-176-150.200109.7P259 K264 M293P259-E261 HydrophobicContact CB-CB 4.36Å; P259-E261 HydrophobicContact CB-CG 4.21Å; P259-E261 HydrophobicContact CG-CB 4.5Å; P259-E261 PolarHBondContact O-N 3Å; P259-E261 VanDerWaalsContact O-N 3.1Å; E261-K264 IonicContact OE2-NZ 2.89Å; E261-K264 PolarHBondContact OE2-NZ 3.22Å; E261-M293 VanDerWaalsContact O-CE 3.29Å; E261-M293 WeakPolarHBondContact O-CE 3.25Å
262P87.4Confident90.5Very high24 Ų2477.7 Ų77.716%0.15638%0.384CS..  trans-57.4136.6172.9-21.234.5000109.9K264 E286 F290P262-K264 PolarHBondContact O-N 3.02Å; P262-E286 HydrophobicContact CG-CG 3.87Å; P262-E286 WeakPolarHBondContact CG-OE1 3.4Å; P262-F290 HydrophobicContact CG-CE1 4.26Å; P262-F290 HydrophobicContact CG-CE2 4.13Å; P262-F290 HydrophobicContact CG-CZ 3.69Å
263P86.4Confident90.3Very high80 Ų8076 Ų7652%0.51939%0.385SS..  trans-64113.4-172.425.5-33.9000110.6
264K86.1Confident90.2Very high132 Ų13281.3 Ų81.357%0.57442%0.423SS*.  trans-95.4134.4174.5-68.4163.3-170.6158.50109.4E261 P262E261-K264 IonicContact OE2-NZ 2.89Å; E261-K264 PolarHBondContact OE2-NZ 3.22Å; P262-K264 PolarHBondContact O-N 3.02Å
265P88.2Confident90Very high64 Ų6483.3 Ų83.342%0.41644%0.437SS..  trans-64.4144.717128.7-34000109.6T267 H269P265-T267 PolarHBondContact O-N 3.37Å; P265-H269 HydrophobicContact CG-CB 3.64Å; P265-H269 WeakPolarHBondContact CG-ND1 3.28Å
266K88.8Confident89.9Confident222 Ų22288.6 Ų88.697%0.96547%0.469SS*.SBendtrans-67.9-17.3178.2-65.7-172.3177.5-173.40113
267T92.9Very high89.8Confident104 Ų10494.7 Ų94.764%0.63850%0.497SS*.SBendtrans-85.2154175.651.20000111P265 H269P265-T267 PolarHBondContact O-N 3.37Å; T267-H269 PolarHBondContact O-N 3.07Å; T267-H269 VanDerWaalsContact O-N 3.15Å
268K88.9Confident89.6Confident219 Ų21995.4 Ų95.495%0.95250%0.5SS*.  trans-53.4123.8168.9-69.3-174.7179.4-178.40108.8
269H86.1Confident89.7Confident91 Ų91101.7 Ų101.742%0.42152%0.523SS..  trans-134.8139.2178.269.3-72.2000108.3P265 T267P265-H269 HydrophobicContact CG-CB 3.64Å; P265-H269 WeakPolarHBondContact CG-ND1 3.28Å; T267-H269 PolarHBondContact O-N 3.07Å; T267-H269 VanDerWaalsContact O-N 3.15Å
270N87.3Confident89.7Confident137 Ų137104.5 Ų104.573%0.73353%0.531SS*.  trans-116.5128.4169.8-67.4-27000106.6F272N270-F272 HydrophobicContact CB-CE2 3.99Å; N270-F272 HydrophobicContact CB-CZ 4.02Å
271L85.6Confident89.7Confident108 Ų108110 Ų11057%0.56556%0.555SS**  trans-98.3111.1176.6-161.8152.9000108V273 L282L271-V273 HydrophobicContact CD2-CG2 3.53Å; L271-L282 HydrophobicContact CD1-CD2 3.74Å; L271-L282 HydrophobicContact CD2-CD1 3.41Å; L271-L282 VanDerWaalsContact CD2-CD1 3.41Å; L271-L282 HydrophobicContact CD2-CD2 3.99Å; L271-L282 HydrophobicContact CD2-CG 4.34Å; L271-L282 HydrophobicContact CG-CD2 4.48Å
272F89.2Confident89.8Confident179 Ų179109.5 Ų109.579%0.78556%0.555SS**  trans-90.5118.4179-62.9-80000109.8N270N270-F272 HydrophobicContact CB-CE2 3.99Å; N270-F272 HydrophobicContact CB-CZ 4.02Å
273V90.9Very high90Very high70 Ų70115.5 Ų115.542%0.42457%0.574SS.*  trans-104.4105.9175.8-172.70000108L271 D278 L282L271-V273 HydrophobicContact CD2-CG2 3.53Å; V273-D278 HydrophobicContact CG1-CB 4.23Å; V273-L282 HydrophobicContact CG2-CD1 3.51Å
274S90.4Very high90.3Very high113 Ų113115.3 Ų115.379%0.7957%0.569SS**  trans-96.1-23.2-176.753.20000113.6
275S92.2Very high90.6Very high42 Ų42114.5 Ų114.529%0.29456%0.563SS.*SBendtrans-127.9156-17875.40000112.2E277 D278 Y279S275-E277 PolarHBondContact O-N 3.22Å; S275-D278 PolarHBondContact O-N 2.9Å; S275-D278 PolarHBondContact OG-N 3.49Å; S275-D278 VanDerWaalsContact OG-N 3.13Å; S275-D278 PolarHBondContact OG-OD2 3.42Å; S275-Y279 PolarHBondContact O-N 3.45Å
276T93.2Very high90.7Very high111 Ų111114.7 Ų114.768%0.68156%0.559SS**Hα-helixtrans-63.5-32.6172.547.50000111.9Y279 H280T276-Y279 WeakPolarHBondContact O-CB 3.35Å; T276-Y279 PolarHBondContact O-N 3.31Å; T276-H280 PolarHBondContact O-CD2 3.38Å; T276-H280 PolarHBondContact O-N 2.89Å; T276-H280 VanDerWaalsContact O-N 3.13Å
277E92.9Very high90.8Very high128 Ų128108.5 Ų108.560%0.59853%0.533SS*.Hα-helixtrans-63.1-40.5175.7-63.9-177.7-174.700112S275 Y279 H280 K281S275-E277 PolarHBondContact O-N 3.22Å; E277-Y279 VanDerWaalsContact C-N 3.31Å; E277-Y279 PolarHBondContact O-N 3.18Å; E277-H280 PolarHBondContact O-N 2.75Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 3.02Å
278D91.5Very high90.8Very high51 Ų51110 Ų11027%0.27353%0.531SS..Hα-helixtrans-67.8-34.5178.1-61.6-33.7000111.5V273 S275 K281 L282V273-D278 HydrophobicContact CG1-CB 4.23Å; S275-D278 PolarHBondContact O-N 2.9Å; S275-D278 PolarHBondContact OG-N 3.49Å; S275-D278 VanDerWaalsContact OG-N 3.13Å; S275-D278 PolarHBondContact OG-OD2 3.42Å; D278-K281 PolarHBondContact O-N 3.37Å; D278-K281 IonicContact OD1-NZ 2.98Å; D278-K281 PolarHBondContact OD1-NZ 2.96Å; D278-K281 VanDerWaalsContact OD1-NZ 3.15Å; D278-L282 WeakPolarHBondContact O-CB 3.18Å; D278-L282 WeakPolarHBondContact O-CD1 3.45Å; D278-L282 VanDerWaalsContact O-CG 3.23Å; D278-L282 WeakPolarHBondContact O-CG 3.24Å; D278-L282 PolarHBondContact O-N 3.2Å
279Y91.5Very high90.9Very high146 Ų146102 Ų10257%0.57350%0.496SS*.Hα-helixtrans-60.7-46.1171.7-175-101.6000112S275 T276 E277 L282 R283S275-Y279 PolarHBondContact O-N 3.45Å; T276-Y279 WeakPolarHBondContact O-CB 3.35Å; T276-Y279 PolarHBondContact O-N 3.31Å; E277-Y279 VanDerWaalsContact C-N 3.31Å; E277-Y279 PolarHBondContact O-N 3.18Å; Y279-L282 PolarHBondContact O-N 2.83Å; Y279-R283 PolarHBondContact O-N 3.25Å; Y279-R283 VanDerWaalsContact O-N 3.09Å
280H93.1Very high91.2Very high105 Ų10597.7 Ų97.749%0.48648%0.476SS..Hα-helixtrans-63.3-42.3175.4-74.8-66.4000112.3T276 E277 L282 R283 D284T276-H280 PolarHBondContact O-CD2 3.38Å; T276-H280 PolarHBondContact O-N 2.89Å; T276-H280 VanDerWaalsContact O-N 3.13Å; E277-H280 PolarHBondContact O-N 2.75Å; H280-L282 VanDerWaalsContact C-N 3.31Å; H280-L282 PolarHBondContact O-N 2.85Å; H280-R283 PolarHBondContact O-N 2.81Å; H280-D284 PolarHBondContact O-N 3.39Å
281K92.2Very high91.5Very high116 Ų11694 Ų9450%0.50445%0.454SS..Hα-helixtrans-60.8-38.9175.7-71.1170.4-162.41550112.4E277 D278 Y285E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 3.02Å; D278-K281 PolarHBondContact O-N 3.37Å; D278-K281 IonicContact OD1-NZ 2.98Å; D278-K281 PolarHBondContact OD1-NZ 2.96Å; D278-K281 VanDerWaalsContact OD1-NZ 3.15Å; K281-Y285 WeakPolarHBondContact O-CB 3.35Å; K281-Y285 PolarHBondContact O-N 2.93Å
282L91.4Very high91.8Very high57 Ų5792 Ų9230%0.29844%0.442SS..Hα-helixtrans-66.6-44.8177.8-73.5163.4000111.7L271 V273 D278 Y279 H280 Y285 E286L271-L282 HydrophobicContact CD1-CD2 3.74Å; L271-L282 HydrophobicContact CD2-CD1 3.41Å; L271-L282 VanDerWaalsContact CD2-CD1 3.41Å; L271-L282 HydrophobicContact CD2-CD2 3.99Å; L271-L282 HydrophobicContact CD2-CG 4.34Å; L271-L282 HydrophobicContact CG-CD2 4.48Å; V273-L282 HydrophobicContact CG2-CD1 3.51Å; D278-L282 WeakPolarHBondContact O-CB 3.18Å; D278-L282 WeakPolarHBondContact O-CD1 3.45Å; D278-L282 VanDerWaalsContact O-CG 3.23Å; D278-L282 WeakPolarHBondContact O-CG 3.24Å; D278-L282 PolarHBondContact O-N 3.2Å; Y279-L282 PolarHBondContact O-N 2.83Å; H280-L282 VanDerWaalsContact C-N 3.31Å; H280-L282 PolarHBondContact O-N 2.85Å; L282-Y285 WeakPolarHBondContact O-CB 3.45Å; L282-Y285 PolarHBondContact O-N 3.22Å; L282-E286 WeakPolarHBondContact O-CB 3.34Å; L282-E286 PolarHBondContact O-N 2.91Å
283R90.5Very high92Very high150 Ų15084.2 Ų84.257%0.56641%0.408SS*.Hα-helixtrans-59.7-46.9174.8-175.2-177176.8-171.5-1.8111.6Y279 H280 Y285 E286 Q287Y279-R283 PolarHBondContact O-N 3.25Å; Y279-R283 VanDerWaalsContact O-N 3.09Å; H280-R283 PolarHBondContact O-N 2.81Å; R283-Y285 VanDerWaalsContact C-N 3.29Å; R283-Y285 PolarHBondContact O-N 3.47Å; R283-E286 PolarHBondContact O-N 3.36Å; R283-Q287 PolarHBondContact O-N 3.32Å
284D93Very high92.1Very high77 Ų7781 Ų8141%0.41239%0.389SS..Hα-helixtrans-64.5-36177.2-72.4-8.1000111.8H280 K288H280-D284 PolarHBondContact O-N 3.39Å; D284-K288 VanDerWaalsContact O-CB 3.3Å; D284-K288 WeakPolarHBondContact O-CB 3.24Å; D284-K288 WeakPolarHBondContact O-CD 3.44Å; D284-K288 WeakPolarHBondContact O-CG 3.4Å; D284-K288 PolarHBondContact O-N 2.95Å
285Y92.1Very high92.2Very high114 Ų11480.5 Ų80.545%0.44737%0.372SS..Hα-helixtrans-65.6-46.9176.2171.5-96.4000111.5K281 L282 R283 K288 K289K281-Y285 WeakPolarHBondContact O-CB 3.35Å; K281-Y285 PolarHBondContact O-N 2.93Å; L282-Y285 WeakPolarHBondContact O-CB 3.45Å; L282-Y285 PolarHBondContact O-N 3.22Å; R283-Y285 VanDerWaalsContact C-N 3.29Å; R283-Y285 PolarHBondContact O-N 3.47Å; Y285-K288 PolarHBondContact O-N 3.21Å; Y285-K289 HydrophobicContact CD1-CG 4.18Å; Y285-K289 HydrophobicContact CD2-CG 4.21Å; Y285-K289 HydrophobicContact CE1-CG 3.79Å; Y285-K289 HydrophobicContact CE2-CD 4.13Å; Y285-K289 HydrophobicContact CE2-CG 3.82Å; Y285-K289 HydrophobicContact CG-CG 4.38Å; Y285-K289 VanDerWaalsContact CZ-CE 3.49Å; Y285-K289 WeakPolarHBondContact O-CB 3.23Å; Y285-K289 VanDerWaalsContact O-CG 3.23Å; Y285-K289 WeakPolarHBondContact O-CG 3.24Å; Y285-K289 PolarHBondContact O-N 3.02Å; Y285-K289 WeakPolarHBondContact OH-CE 3.38Å
286E90.6Very high92.1Very high69 Ų6981.6 Ų81.632%0.32237%0.37SS..Hα-helixtrans-57.5-51.7177177.1164.7-137.100111.2P262 L282 R283 K288 K289 F290P262-E286 HydrophobicContact CG-CG 3.87Å; P262-E286 WeakPolarHBondContact CG-OE1 3.4Å; L282-E286 WeakPolarHBondContact O-CB 3.34Å; L282-E286 PolarHBondContact O-N 2.91Å; R283-E286 PolarHBondContact O-N 3.36Å; E286-K288 PolarHBondContact O-N 3.47Å; E286-K289 WeakPolarHBondContact O-CB 3.41Å; E286-K289 PolarHBondContact O-N 2.74Å; E286-K289 VanDerWaalsContact O-N 3.11Å; E286-F290 HydrophobicContact CG-CD2 4.01Å; E286-F290 HydrophobicContact CG-CE2 3.5Å; E286-F290 HydrophobicContact CG-CZ 4.39Å; E286-F290 VanDerWaalsContact O-CD2 3.26Å; E286-F290 WeakPolarHBondContact O-CD2 3.48Å; E286-F290 PolarHBondContact O-N 3.39Å
287Q90.6Very high92.2Very high92 Ų9276.3 Ų76.343%0.4334%0.338SS..Hα-helixtrans-59.3-46.1177.2-172.2177.4-2.400112.1R283 K289 F290 E291R283-Q287 PolarHBondContact O-N 3.32Å; Q287-K289 VanDerWaalsContact C-N 3.28Å; Q287-K289 PolarHBondContact O-N 2.88Å; Q287-F290 PolarHBondContact O-N 2.95Å; Q287-E291 PolarHBondContact O-N 3.42Å
288K93Very high92.1Very high135 Ų13575 Ų7559%0.58733%0.33SS*.Hα-helixtrans-61.9-36.4176.7-76.3169.6-172.8168.60112.1D284 Y285 E286 E291 E292D284-K288 VanDerWaalsContact O-CB 3.3Å; D284-K288 WeakPolarHBondContact O-CB 3.24Å; D284-K288 WeakPolarHBondContact O-CD 3.44Å; D284-K288 WeakPolarHBondContact O-CG 3.4Å; D284-K288 PolarHBondContact O-N 2.95Å; Y285-K288 PolarHBondContact O-N 3.21Å; E286-K288 PolarHBondContact O-N 3.47Å; K288-E291 PolarHBondContact O-N 3.29Å; K288-E292 WeakPolarHBondContact O-CB 3.41Å; K288-E292 PolarHBondContact O-N 2.9Å
289K91.9Very high92.1Very high51 Ų5178.8 Ų78.822%0.22235%0.35CS..Hα-helixtrans-68.5-42.1179-77.6-72.8162.3-158.60111.9Y285 E286 Q287 E292 M293Y285-K289 HydrophobicContact CD1-CG 4.18Å; Y285-K289 HydrophobicContact CD2-CG 4.21Å; Y285-K289 HydrophobicContact CE1-CG 3.79Å; Y285-K289 HydrophobicContact CE2-CD 4.13Å; Y285-K289 HydrophobicContact CE2-CG 3.82Å; Y285-K289 HydrophobicContact CG-CG 4.38Å; Y285-K289 VanDerWaalsContact CZ-CE 3.49Å; Y285-K289 WeakPolarHBondContact O-CB 3.23Å; Y285-K289 VanDerWaalsContact O-CG 3.23Å; Y285-K289 WeakPolarHBondContact O-CG 3.24Å; Y285-K289 PolarHBondContact O-N 3.02Å; Y285-K289 WeakPolarHBondContact OH-CE 3.38Å; E286-K289 WeakPolarHBondContact O-CB 3.41Å; E286-K289 PolarHBondContact O-N 2.74Å; E286-K289 VanDerWaalsContact O-N 3.11Å; Q287-K289 VanDerWaalsContact C-N 3.28Å; Q287-K289 PolarHBondContact O-N 2.88Å; K289-E292 IonicContact NZ-OE2 3.15Å; K289-E292 PolarHBondContact NZ-OE2 3.38Å; K289-E292 PolarHBondContact O-N 3.46Å; K289-M293 HydrophobicContact CB-CE 4.44Å; K289-M293 WeakPolarHBondContact O-CG 3.49Å; K289-M293 PolarHBondContact O-N 3.24Å
290F93Very high92.1Very high1 Ų172.6 Ų72.60%0.00433%0.328CS..Hα-helixtrans-62.9-44173.2-69.7-56.6000112.1P262 E286 Q287 E292 M293 V294 D312 E314 A315 L318P262-F290 HydrophobicContact CG-CE1 4.26Å; P262-F290 HydrophobicContact CG-CE2 4.13Å; P262-F290 HydrophobicContact CG-CZ 3.69Å; E286-F290 HydrophobicContact CG-CD2 4.01Å; E286-F290 HydrophobicContact CG-CE2 3.5Å; E286-F290 HydrophobicContact CG-CZ 4.39Å; E286-F290 VanDerWaalsContact O-CD2 3.26Å; E286-F290 WeakPolarHBondContact O-CD2 3.48Å; E286-F290 PolarHBondContact O-N 3.39Å; Q287-F290 PolarHBondContact O-N 2.95Å; F290-E292 VanDerWaalsContact C-N 3.3Å; F290-E292 PolarHBondContact O-N 3.11Å; F290-M293 PolarHBondContact O-N 3.2Å; F290-V294 WeakPolarHBondContact O-CG2 3.48Å; F290-V294 PolarHBondContact O-N 2.78Å; F290-D312 HydrophobicContact CE1-CB 3.97Å; F290-D312 HydrophobicContact CZ-CB 3.7Å; F290-E314 HydrophobicContact CD2-CB 4.1Å; F290-E314 HydrophobicContact CE2-CB 4.04Å; F290-E314 WeakPolarHBondContact CE2-OE2 3.49Å; F290-A315 HydrophobicContact CD1-CB 3.71Å; F290-A315 HydrophobicContact CE1-CB 3.93Å; F290-A315 HydrophobicContact CG-CB 4.43Å; F290-L318 HydrophobicContact CB-CD1 3.64Å
291E92.6Very high92.1Very high59 Ų5968.5 Ų68.528%0.27631%0.314SS..Hα-helixtrans-59.3-41.5174.3-74.5-171.8-165.800112.3Q287 K288 K295 L318Q287-E291 PolarHBondContact O-N 3.42Å; K288-E291 PolarHBondContact O-N 3.29Å; E291-K295 VanDerWaalsContact O-CB 3.23Å; E291-K295 WeakPolarHBondContact O-CB 3.44Å; E291-K295 WeakPolarHBondContact O-CD 3.43Å; E291-K295 WeakPolarHBondContact O-CG 3.48Å; E291-K295 PolarHBondContact O-N 3.38Å; E291-K295 IonicContact OE2-NZ 3.97Å; E291-K295 PolarHBondContact OE2-NZ 3.42Å; E291-L318 HydrophobicContact CG-CD1 4.22Å
292E92.6Very high92.1Very high67 Ų6763.3 Ų63.331%0.31329%0.293SS..Hα-helixtrans-61.9-45.9176.9-175.1-178.8-175.200111.5K288 K289 F290 K295 R296K288-E292 WeakPolarHBondContact O-CB 3.41Å; K288-E292 PolarHBondContact O-N 2.9Å; K289-E292 IonicContact NZ-OE2 3.15Å; K289-E292 PolarHBondContact NZ-OE2 3.38Å; K289-E292 PolarHBondContact O-N 3.46Å; F290-E292 VanDerWaalsContact C-N 3.3Å; F290-E292 PolarHBondContact O-N 3.11Å; E292-K295 PolarHBondContact O-N 2.88Å; E292-R296 VanDerWaalsContact O-CG 3.27Å; E292-R296 WeakPolarHBondContact O-CG 3.5Å; E292-R296 PolarHBondContact O-N 3.49Å; E292-R296 IonicContact OE1-CZ 2.87Å; E292-R296 IonicContact OE1-NE 3.73Å; E292-R296 IonicContact OE1-NH2 3.5Å; E292-R296 PolarHBondContact OE1-NH2 3.31Å
293M92.7Very high92.1Very high14 Ų1462.3 Ų62.37%0.06929%0.287CS..Hα-helixtrans-61.2-48.1177.9-68.4172.3-162.100111.7F260 E261 K289 F290 R296 V297 F350F260-M293 HydrophobicContact CD1-CB 4.47Å; E261-M293 VanDerWaalsContact O-CE 3.29Å; E261-M293 WeakPolarHBondContact O-CE 3.25Å; K289-M293 HydrophobicContact CB-CE 4.44Å; K289-M293 WeakPolarHBondContact O-CG 3.49Å; K289-M293 PolarHBondContact O-N 3.24Å; F290-M293 PolarHBondContact O-N 3.2Å; M293-R296 PolarHBondContact O-N 3.48Å; M293-V297 WeakPolarHBondContact O-CG2 3.42Å; M293-V297 PolarHBondContact O-N 3.41Å; M293-F350 HydrophobicContact CB-CD1 4.48Å; M293-F350 HydrophobicContact CB-CE1 4.46Å; M293-F350 HydrophobicContact CB-CE2 4.5Å; M293-F350 HydrophobicContact CB-CZ 4.48Å; M293-F350 HydrophobicContact CG-CD2 3.92Å; M293-F350 HydrophobicContact CG-CE2 4Å; M293-F350 HydrophobicContact CG-CG 4.29Å; M293-F350 HydrophobicContact CG-CZ 4.44Å; M293-F350 HydrophobicContact SD-CD2 4.22Å; M293-F350 HydrophobicContact SD-CE2 3.77Å; M293-F350 HydrophobicContact SD-CZ 4.25Å
294V92.5Very high92.3Very high3 Ų355.1 Ų55.12%0.01826%0.26CS..Hα-helixtrans-66.6-41.1-179.8177.40000111.2F260 F290 V297 K298 L318 L319 E322 L324F260-V294 HydrophobicContact CE1-CG2 4.4Å; F290-V294 WeakPolarHBondContact O-CG2 3.48Å; F290-V294 PolarHBondContact O-N 2.78Å; V294-V297 PolarHBondContact O-N 3.15Å; V294-K298 WeakPolarHBondContact O-CB 3.41Å; V294-K298 PolarHBondContact O-N 3.01Å; V294-L318 HydrophobicContact CG2-CB 4.03Å; V294-L319 HydrophobicContact CG1-CD2 4.2Å; V294-L319 HydrophobicContact CG2-CD2 4.12Å; V294-L319 HydrophobicContact CG2-CG 4.1Å; V294-E322 HydrophobicContact CG1-CB 4.06Å; V294-E322 HydrophobicContact CG1-CG 3.74Å; V294-L324 HydrophobicContact CG1-CD1 4.27Å
295K92.5Very high92.4Very high102 Ų10251.5 Ų51.544%0.44324%0.241SC..Hα-helixtrans-59.6-46.8175-77.7168.1-175158.30111.5E291 E292 V297 K298 D299E291-K295 VanDerWaalsContact O-CB 3.23Å; E291-K295 WeakPolarHBondContact O-CB 3.44Å; E291-K295 WeakPolarHBondContact O-CD 3.43Å; E291-K295 WeakPolarHBondContact O-CG 3.48Å; E291-K295 PolarHBondContact O-N 3.38Å; E291-K295 IonicContact OE2-NZ 3.97Å; E291-K295 PolarHBondContact OE2-NZ 3.42Å; E292-K295 PolarHBondContact O-N 2.88Å; K295-V297 VanDerWaalsContact C-N 3.31Å; K295-V297 PolarHBondContact O-N 3.29Å; K295-K298 CarbonylContact O-C 3.58Å; K295-K298 WeakPolarHBondContact O-CA 3.42Å; K295-K298 WeakPolarHBondContact O-CB 3.48Å; K295-K298 PolarHBondContact O-N 3.4Å; K295-D299 WeakPolarHBondContact O-CB 3.31Å; K295-D299 PolarHBondContact O-N 2.91Å
296R91.6Very high92.6Very high66 Ų6646.1 Ų46.125%0.24922%0.22CC..Hα-helixtrans-57.1-43.1177-74.3174-176.8-174.3-1.3112.5E292 M293 D299 T300 E351E292-R296 VanDerWaalsContact O-CG 3.27Å; E292-R296 WeakPolarHBondContact O-CG 3.5Å; E292-R296 PolarHBondContact O-N 3.49Å; E292-R296 IonicContact OE1-CZ 2.87Å; E292-R296 IonicContact OE1-NE 3.73Å; E292-R296 IonicContact OE1-NH2 3.5Å; E292-R296 PolarHBondContact OE1-NH2 3.31Å; M293-R296 PolarHBondContact O-N 3.48Å; R296-D299 PolarHBondContact O-N 3.43Å; R296-T300 WeakPolarHBondContact O-CG2 3.37Å; R296-T300 PolarHBondContact O-N 3.46Å; R296-E351 IonicContact CZ-OE1 3.72Å; R296-E351 VanDerWaalsContact NH1-CG 3.34Å; R296-E351 IonicContact NH1-OE1 3.97Å; R296-E351 PolarHBondContact NH1-OE1 2.89Å; R296-E351 IonicContact NH2-OE1 3.63Å
297V93.4Very high92.8Very high0 Ų042.9 Ų42.90%021%0.205CC..Hα-helixtrans-63.4-44.5175.8176.80000110.8A254 L256 F260 M293 V294 K295 D299 T300 A302 V305 L324 F350 L353A254-V297 HydrophobicContact CB-CG1 4.38Å; L256-V297 HydrophobicContact CD1-CG2 4.42Å; F260-V297 HydrophobicContact CE1-CG2 4.41Å; F260-V297 HydrophobicContact CZ-CG2 4.16Å; M293-V297 WeakPolarHBondContact O-CG2 3.42Å; M293-V297 PolarHBondContact O-N 3.41Å; V294-V297 PolarHBondContact O-N 3.15Å; K295-V297 VanDerWaalsContact C-N 3.31Å; K295-V297 PolarHBondContact O-N 3.29Å; V297-D299 PolarHBondContact O-N 3.46Å; V297-T300 PolarHBondContact O-N 3.18Å; V297-T300 PolarHBondContact O-OG1 2.8Å; V297-A302 HydrophobicContact CG1-CB 4.09Å; V297-V305 HydrophobicContact CG1-CG2 3.63Å; V297-L324 HydrophobicContact CG1-CD1 4.2Å; V297-F350 HydrophobicContact CG2-CD1 4.15Å; V297-F350 HydrophobicContact CG2-CE1 4.37Å; V297-L353 HydrophobicContact CB-CD2 4.29Å; V297-L353 HydrophobicContact CG1-CD2 4.39Å; V297-L353 HydrophobicContact CG2-CD2 3.94Å
298K92Very high93Very high99 Ų9941.2 Ų41.243%0.4320%0.197SC..Hα-helixtrans-63.7-41.1178.7-167.7178.6179.7-1760113V294 K295 T300 G301 E322 L324V294-K298 WeakPolarHBondContact O-CB 3.41Å; V294-K298 PolarHBondContact O-N 3.01Å; K295-K298 CarbonylContact O-C 3.58Å; K295-K298 WeakPolarHBondContact O-CA 3.42Å; K295-K298 WeakPolarHBondContact O-CB 3.48Å; K295-K298 PolarHBondContact O-N 3.4Å; K298-T300 PolarHBondContact O-N 3.05Å; K298-G301 WeakPolarHBondContact O-CA 3.39Å; K298-G301 PolarHBondContact O-N 2.58Å; K298-E322 HydrophobicContact CD-CB 4.45Å; K298-E322 WeakPolarHBondContact CD-OE2 3.41Å; K298-E322 WeakPolarHBondContact CE-OE2 3.27Å; K298-E322 IonicContact NZ-OE2 2.58Å; K298-E322 PolarHBondContact NZ-OE2 3.49Å; K298-L324 HydrophobicContact CB-CD1 4.17Å
299D92.2Very high93.1Very high132 Ų13240.6 Ų40.671%0.70619%0.191SC*.Hα-helixtrans-62.7-28.7-177.7-69-20.5000112.2K295 R296 V297 G301K295-D299 WeakPolarHBondContact O-CB 3.31Å; K295-D299 PolarHBondContact O-N 2.91Å; R296-D299 PolarHBondContact O-N 3.43Å; V297-D299 PolarHBondContact O-N 3.46Å; D299-G301 PolarHBondContact O-N 2.93Å
300T91.4Very high93Very high16 Ų1638.3 Ų38.310%0.09818%0.182CC..THydrogen-bonded Turntrans-71.4-17.3174.367.90000112.9R296 V297 K298 L353 L358R296-T300 WeakPolarHBondContact O-CG2 3.37Å; R296-T300 PolarHBondContact O-N 3.46Å; V297-T300 PolarHBondContact O-N 3.18Å; V297-T300 PolarHBondContact O-OG1 2.8Å; K298-T300 PolarHBondContact O-N 3.05Å; T300-L353 HydrophobicContact CG2-CB 4.32Å; T300-L353 HydrophobicContact CG2-CD2 3.98Å; T300-L353 HydrophobicContact CG2-CG 3.86Å; T300-L353 WeakPolarHBondContact CG2-O 3.48Å; T300-L358 WeakPolarHBondContact O-CD1 3.3Å
301G91.3Very high92.9Very high19 Ų1938.8 Ų38.820%0.19618%0.184CC..THydrogen-bonded Turntrans83.616.6-176.200000114R252 K298 D299R252-G301 PolarHBondContact NE-O 3.18Å; R252-G301 PolarHBondContact NH1-O 2.92Å; R252-G301 PolarHBondContact NH2-O 3.19Å; K298-G301 WeakPolarHBondContact O-CA 3.39Å; K298-G301 PolarHBondContact O-N 2.58Å; D299-G301 PolarHBondContact O-N 2.93Å
302A92.4Very high92.8Very high7 Ų738.9 Ų38.96%0.05819%0.187CC..  trans-60.6146.517100000110.6R252 A254 V297 L324 L358R252-A302 WeakPolarHBondContact O-CA 3.42Å; A254-A302 HydrophobicContact CB-CB 3.93Å; V297-A302 HydrophobicContact CG1-CB 4.09Å; A302-L324 WeakPolarHBondContact O-CD2 3.44Å; A302-L358 HydrophobicContact CB-CD1 4.15Å; A302-L358 HydrophobicContact CB-CD2 3.89Å
303N93.1Very high92.7Very high35 Ų3541.2 Ų41.219%0.18720%0.201CC..SBendtrans-122.4-1.9174.366.86.3000113N250 A251 R252 P325N250-N303 PolarHBondContact O-ND2 3.26Å; A251-N303 WeakPolarHBondContact CA-ND2 3.38Å; A251-N303 WeakPolarHBondContact CA-OD1 3.45Å; R252-N303 PolarHBondContact N-ND2 3.42Å; R252-N303 PolarHBondContact N-OD1 3.27Å; R252-N303 PolarHBondContact O-N 3.19Å; R252-N303 PolarHBondContact O-OD1 3.43Å; N303-P325 WeakPolarHBondContact O-CD 3.36Å
304L94.1Very high92.6Very high0 Ų045 Ų450%022%0.219CC..EExtended strand (participates in β ladder)trans-145.5134174.7175.461.8000108F239 A251 R252 L253 A254 I306 P325 V327 V364F239-L304 HydrophobicContact CE1-CD1 3.76Å; A251-L304 HydrophobicContact CB-CD2 4.49Å; R252-L304 PolarHBondContact O-N 3.4Å; L253-L304 CarbonylContact C-O 3.6Å; L253-L304 WeakPolarHBondContact CA-O 3.34Å; L253-L304 HydrophobicContact CD2-CD2 3.59Å; L253-L304 HydrophobicContact CD2-CG 4.35Å; L253-L304 HydrophobicContact CG-CB 4.42Å; L253-L304 HydrophobicContact CG-CD2 3.99Å; L253-L304 HydrophobicContact CG-CG 4.46Å; A254-L304 PolarHBondContact N-O 2.92Å; L304-I306 HydrophobicContact CD2-CD1 4.49Å; L304-I306 HydrophobicContact CG-CG1 4.38Å; L304-P325 WeakPolarHBondContact CA-O 3.34Å; L304-P325 HydrophobicContact CD1-CB 3.87Å; L304-P325 WeakPolarHBondContact CD1-O 3.43Å; L304-V327 HydrophobicContact CD1-CG2 4.47Å; L304-V364 HydrophobicContact CD2-CB 4.01Å; L304-V364 HydrophobicContact CD2-CG1 3.77Å; L304-V364 HydrophobicContact CD2-CG2 3.71Å
305V94.9Very high92.5Very high0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-112126.8177.9-175.80000109.2L256 F260 V297 L319 P325 A326 V327L256-V305 HydrophobicContact CD1-CG1 3.73Å; F260-V305 HydrophobicContact CE2-CG1 3.71Å; F260-V305 HydrophobicContact CZ-CG1 3.78Å; V297-V305 HydrophobicContact CG1-CG2 3.63Å; V305-L319 HydrophobicContact CG2-CD2 4.33Å; V305-P325 PolarHBondContact N-O 3.22Å; V305-A326 HydrophobicContact CB-CB 3.98Å; V305-A326 CarbonylContact O-C 3.46Å; V305-A326 VanDerWaalsContact O-CA 3.22Å; V305-A326 WeakPolarHBondContact O-CA 3.42Å; V305-V327 PolarHBondContact O-N 3.17Å
306I95.4Very high92.5Very high2 Ų240.5 Ų40.51%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-117.6122.8173.1-65.3-178.2000107.6L253 A254 L256 L304 V327 V330 I338 I379L253-I306 HydrophobicContact CD2-CD1 3.58Å; L253-I306 HydrophobicContact CD2-CG1 4.47Å; A254-I306 PolarHBondContact O-N 2.94Å; L256-I306 PolarHBondContact N-O 3.35Å; L304-I306 HydrophobicContact CD2-CD1 4.49Å; L304-I306 HydrophobicContact CG-CG1 4.38Å; I306-V327 HydrophobicContact CG1-CB 4.47Å; I306-V330 HydrophobicContact CG2-CB 4.1Å; I306-V330 HydrophobicContact CG2-CG1 4.22Å; I306-V330 HydrophobicContact CG2-CG2 3.75Å; I306-I338 HydrophobicContact CD1-CD1 3.97Å; I306-I338 HydrophobicContact CD1-CG2 4.05Å; I306-I338 HydrophobicContact CG2-CD1 4.25Å; I306-I379 HydrophobicContact CD1-CD1 3.86Å
307C95.2Very high92.6Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-123.5139.1-178.8-169.90000111.9L256 C258 W309 F311 V327 W329 V330L256-C307 WeakPolarHBondContact O-CA 3.44Å; C258-C307 PolarHBondContact O-SG 3.46Å; C307-W309 VanDerWaalsContact C-N 3.29Å; C307-W309 PolarHBondContact SG-N 3.32Å; C307-W309 VanDerWaalsContact SG-N 3.37Å; C307-W309 PolarHBondContact SG-O 3.05Å; C307-F311 HydrophobicContact CB-CD1 4.42Å; C307-F311 HydrophobicContact CB-CE1 3.3Å; C307-F311 HydrophobicContact CB-CZ 3.71Å; C307-V327 PolarHBondContact N-O 3.31Å; C307-W329 PolarHBondContact O-N 2.81Å; C307-V330 PolarHBondContact O-N 3.5Å; C307-V330 VanDerWaalsContact O-N 3.11Å
308Q95.1Very high92.5Very high58 Ų5843.7 Ų43.727%0.27122%0.218SC..SBendtrans-64.3-37171.9-165.1174.56.500112.6L256 T257 W329 V330 I335L256-Q308 PolarHBondContact O-N 2.9Å; T257-Q308 HydrophobicContact CG2-CB 4.36Å; Q308-W329 VanDerWaalsContact O-CA 3.3Å; Q308-W329 WeakPolarHBondContact O-CA 3.42Å; Q308-V330 WeakPolarHBondContact CA-O 3.43Å; Q308-V330 WeakPolarHBondContact CG-O 3.34Å; Q308-I335 VanDerWaalsContact CA-CD1 3.46Å; Q308-I335 HydrophobicContact CB-CD1 3.33Å; Q308-I335 HydrophobicContact CG-CD1 3.74Å
309W94.1Very high92.6Very high121 Ų12139 Ų3946%0.45820%0.197SC..SBendtrans-104.3178-173.8-60.2104.5000111.9T257 P259 C307 W329T257-W309 PolarHBondContact O-NE1 3.29Å; T257-W309 VanDerWaalsContact O-NE1 3.15Å; P259-W309 HydrophobicContact CB-CB 3.78Å; P259-W309 HydrophobicContact CB-CG 4.44Å; C307-W309 VanDerWaalsContact C-N 3.29Å; C307-W309 PolarHBondContact SG-N 3.32Å; C307-W309 VanDerWaalsContact SG-N 3.37Å; C307-W309 PolarHBondContact SG-O 3.05Å; W309-W329 HydrophobicContact CE3-CH2 4.47Å; W309-W329 AromaticContact CE3-CZ3 3.77Å; W309-W329 HydrophobicContact CE3-CZ3 3.77Å; W309-W329 HydrophobicContact CZ3-CZ3 4.3Å; W309-W329 PolarHBondContact O-N 2.98Å
310G90.3Very high92.6Very high4 Ų434.2 Ų34.24%0.04117%0.171CC..  trans-66.9170.8174.800000114.2F260 W329F260-G310 PolarHBondContact N-O 2.75Å; G310-W329 VanDerWaalsContact CA-CE2 3.48Å
311F91Very high92.6Very high11 Ų1141.8 Ų41.85%0.04820%0.198CC..BIsolated β-bridgetrans-119.6142.8168-50.2-36.4000108.1F260 C307 N316 L319 A326 V327 R328F260-F311 HydrophobicContact CB-CB 4.29Å; F260-F311 HydrophobicContact CB-CD1 3.79Å; F260-F311 HydrophobicContact CB-CG 4.4Å; F260-F311 AromaticContact CD2-CD1 3.37Å; F260-F311 HydrophobicContact CD2-CD1 3.37Å; F260-F311 AromaticContact CD2-CE1 3.32Å; F260-F311 HydrophobicContact CD2-CE1 3.32Å; F260-F311 HydrophobicContact CD2-CG 4.45Å; F260-F311 HydrophobicContact CD2-CZ 4.4Å; F260-F311 HydrophobicContact CE2-CD1 4.2Å; F260-F311 AromaticContact CE2-CE1 3.72Å; F260-F311 HydrophobicContact CE2-CE1 3.72Å; F260-F311 HydrophobicContact CE2-CZ 4.47Å; F260-F311 AromaticContact CG-CD1 3.88Å; F260-F311 HydrophobicContact CG-CD1 3.88Å; F260-F311 HydrophobicContact CG-CE1 4.24Å; C307-F311 HydrophobicContact CB-CD1 4.42Å; C307-F311 HydrophobicContact CB-CE1 3.3Å; C307-F311 HydrophobicContact CB-CZ 3.71Å; F311-N316 HydrophobicContact CB-CB 4.49Å; F311-L319 HydrophobicContact CD2-CD1 4.47Å; F311-A326 HydrophobicContact CD2-CB 4.39Å; F311-A326 HydrophobicContact CE2-CB 3.45Å; F311-A326 VanDerWaalsContact CE2-CB 3.45Å; F311-A326 HydrophobicContact CZ-CB 3.81Å; F311-V327 VanDerWaalsContact CZ-O 3.28Å; F311-V327 WeakPolarHBondContact CZ-O 3.43Å; F311-R328 HydrophobicContact CD1-CB 4.27Å; F311-R328 HydrophobicContact CD2-CB 3.73Å; F311-R328 HydrophobicContact CD2-CG 4.16Å; F311-R328 HydrophobicContact CE1-CB 4.18Å; F311-R328 HydrophobicContact CE2-CB 3.59Å; F311-R328 HydrophobicContact CE2-CG 4.22Å; F311-R328 HydrophobicContact CG-CB 4.07Å; F311-R328 HydrophobicContact CZ-CB 3.83Å
312D91.2Very high92.6Very high61 Ų6143.6 Ų43.633%0.32620%0.202SC..  trans-69.3153.7162.6-148.3-14.8000110.8F260 F290 E314 A315 N316F260-D312 PolarHBondContact O-N 3.11Å; F260-D312 VanDerWaalsContact O-N 3.1Å; F290-D312 HydrophobicContact CE1-CB 3.97Å; F290-D312 HydrophobicContact CZ-CB 3.7Å; D312-E314 VanDerWaalsContact C-N 3.3Å; D312-E314 PolarHBondContact O-N 3.08Å; D312-A315 PolarHBondContact O-N 2.91Å; D312-N316 PolarHBondContact O-N 2.69Å
313D89.7Confident92.5Very high115 Ų11552 Ų5262%0.61524%0.237SC*.Hα-helixtrans-65.8-35.3-173.8-77.2-24.4000111.7N316 H317D313-N316 PolarHBondContact O-N 3.19Å; D313-H317 PolarHBondContact O-N 3.34Å
314E90.5Very high92.4Very high95 Ų9550.7 Ų50.744%0.44423%0.23SC..Hα-helixtrans-61.6-45.3173.9-64.1-165.6164.200111.7F290 D312 N316 H317 L318F290-E314 HydrophobicContact CD2-CB 4.1Å; F290-E314 HydrophobicContact CE2-CB 4.04Å; F290-E314 WeakPolarHBondContact CE2-OE2 3.49Å; D312-E314 VanDerWaalsContact C-N 3.3Å; D312-E314 PolarHBondContact O-N 3.08Å; E314-N316 VanDerWaalsContact C-N 3.35Å; E314-N316 PolarHBondContact O-N 2.88Å; E314-H317 PolarHBondContact O-N 3.15Å; E314-L318 WeakPolarHBondContact O-CG 3.48Å; E314-L318 PolarHBondContact O-N 3.31Å
315A91.9Very high92.4Very high0 Ų050.9 Ų50.90%023%0.231CC..Hα-helixtrans-63.7-41.3177.100000111.7F260 F290 D312 H317 L318 L319F260-A315 HydrophobicContact CB-CB 3.78Å; F260-A315 HydrophobicContact CD1-CB 4.38Å; F260-A315 HydrophobicContact CG-CB 4.5Å; F290-A315 HydrophobicContact CD1-CB 3.71Å; F290-A315 HydrophobicContact CE1-CB 3.93Å; F290-A315 HydrophobicContact CG-CB 4.43Å; D312-A315 PolarHBondContact O-N 2.91Å; A315-H317 VanDerWaalsContact C-N 3.33Å; A315-H317 PolarHBondContact O-N 2.69Å; A315-L318 PolarHBondContact O-N 3.47Å; A315-L319 WeakPolarHBondContact O-CB 3.36Å; A315-L319 VanDerWaalsContact O-CG 3.32Å; A315-L319 WeakPolarHBondContact O-CG 3.34Å; A315-L319 PolarHBondContact O-N 2.87Å
316N92.2Very high92.4Very high9 Ų950.9 Ų50.95%0.04823%0.231CC..Hα-helixtrans-62.3-40.3177.8-164.622.1000111.7S240 F311 D312 D313 E314 L319 L320S240-N316 WeakPolarHBondContact CB-OD1 3.39Å; S240-N316 PolarHBondContact O-ND2 3.24Å; S240-N316 PolarHBondContact OG-OD1 2.97Å; F311-N316 HydrophobicContact CB-CB 4.49Å; D312-N316 PolarHBondContact O-N 2.69Å; D313-N316 PolarHBondContact O-N 3.19Å; E314-N316 VanDerWaalsContact C-N 3.35Å; E314-N316 PolarHBondContact O-N 2.88Å; N316-L319 PolarHBondContact O-N 2.79Å; N316-L320 PolarHBondContact O-N 3.1Å; N316-L320 VanDerWaalsContact O-N 3.08Å
317H92.5Very high92.3Very high109 Ų10950.9 Ų50.951%0.50523%0.231SC..Hα-helixtrans-66.9-40.2174.9-172.169.6000112.4D313 E314 A315 L320 R321D313-H317 PolarHBondContact O-N 3.34Å; E314-H317 PolarHBondContact O-N 3.15Å; A315-H317 VanDerWaalsContact C-N 3.33Å; A315-H317 PolarHBondContact O-N 2.69Å; H317-L320 WeakPolarHBondContact O-CB 3.4Å; H317-L320 PolarHBondContact O-N 3.41Å; H317-R321 PolarHBondContact O-N 2.74Å
318L93Very high92.3Very high24 Ų2454.9 Ų54.913%0.12625%0.246CC..Hα-helixtrans-65-41175.6-71.5172.8000112.1F290 E291 V294 E314 A315 L320 R321 E322F290-L318 HydrophobicContact CB-CD1 3.64Å; E291-L318 HydrophobicContact CG-CD1 4.22Å; V294-L318 HydrophobicContact CG2-CB 4.03Å; E314-L318 WeakPolarHBondContact O-CG 3.48Å; E314-L318 PolarHBondContact O-N 3.31Å; A315-L318 PolarHBondContact O-N 3.47Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 3.25Å; L318-R321 PolarHBondContact O-N 3.03Å; L318-E322 WeakPolarHBondContact O-CG 3.49Å; L318-E322 PolarHBondContact O-N 3.14Å
319L93.3Very high92.2Very high0 Ų058.7 Ų58.70%026%0.258CS..Hα-helixtrans-59-43.3173.5-74.9165.6000111.4M244 F260 V294 V305 F311 A315 N316 E322 K323 L324 A326M244-L319 HydrophobicContact CE-CB 4.17Å; F260-L319 HydrophobicContact CD1-CD1 4.33Å; F260-L319 HydrophobicContact CE1-CD1 4.22Å; F260-L319 HydrophobicContact CE1-CD2 4.16Å; F260-L319 HydrophobicContact CZ-CD1 4.4Å; F260-L319 HydrophobicContact CZ-CD2 4.37Å; V294-L319 HydrophobicContact CG1-CD2 4.2Å; V294-L319 HydrophobicContact CG2-CD2 4.12Å; V294-L319 HydrophobicContact CG2-CG 4.1Å; V305-L319 HydrophobicContact CG2-CD2 4.33Å; F311-L319 HydrophobicContact CD2-CD1 4.47Å; A315-L319 WeakPolarHBondContact O-CB 3.36Å; A315-L319 VanDerWaalsContact O-CG 3.32Å; A315-L319 WeakPolarHBondContact O-CG 3.34Å; A315-L319 PolarHBondContact O-N 2.87Å; N316-L319 PolarHBondContact O-N 2.79Å; L319-E322 PolarHBondContact O-N 3.42Å; L319-K323 PolarHBondContact O-N 2.93Å; L319-L324 HydrophobicContact CD2-CB 3.95Å; L319-L324 HydrophobicContact CD2-CD1 4.16Å; L319-L324 PolarHBondContact O-N 2.67Å; L319-A326 HydrophobicContact CD1-CB 3.86Å
320L92.1Very high92.2Very high32 Ų3253 Ų5317%0.16824%0.237CC..Hα-helixtrans-61.1-48174.2179.374000112Q243 M244 N316 H317 L318 E322 K323Q243-L320 HydrophobicContact CB-CD1 3.96Å; Q243-L320 HydrophobicContact CB-CD2 4.18Å; M244-L320 HydrophobicContact CE-CB 4.49Å; M244-L320 HydrophobicContact CG-CD1 3.86Å; N316-L320 PolarHBondContact O-N 3.1Å; N316-L320 VanDerWaalsContact O-N 3.08Å; H317-L320 WeakPolarHBondContact O-CB 3.4Å; H317-L320 PolarHBondContact O-N 3.41Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 3.25Å; L320-E322 VanDerWaalsContact C-N 3.26Å; L320-E322 PolarHBondContact O-N 2.76Å; L320-K323 PolarHBondContact O-N 3.3Å
321R92.2Very high92.4Very high176 Ų17654.2 Ų54.266%0.66425%0.249SC*.Hα-helixtrans-58.7-39.5179.7-177.8-179.2175.2-174.9-1.8111.8H317 L318 K323H317-R321 PolarHBondContact O-N 2.74Å; L318-R321 PolarHBondContact O-N 3.03Å; R321-K323 PolarHBondContact O-N 3.18Å
322E90.7Very high92.4Very high57 Ų5754.8 Ų54.827%0.26626%0.258SS..THydrogen-bonded Turntrans-80.83.4177.6-65.5-58.4152.300113.8V294 K298 L318 L319 L320 L324V294-E322 HydrophobicContact CG1-CB 4.06Å; V294-E322 HydrophobicContact CG1-CG 3.74Å; K298-E322 HydrophobicContact CD-CB 4.45Å; K298-E322 WeakPolarHBondContact CD-OE2 3.41Å; K298-E322 WeakPolarHBondContact CE-OE2 3.27Å; K298-E322 IonicContact NZ-OE2 2.58Å; K298-E322 PolarHBondContact NZ-OE2 3.49Å; L318-E322 WeakPolarHBondContact O-CG 3.49Å; L318-E322 PolarHBondContact O-N 3.14Å; L319-E322 PolarHBondContact O-N 3.42Å; L320-E322 VanDerWaalsContact C-N 3.26Å; L320-E322 PolarHBondContact O-N 2.76Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 HydrophobicContact CB-CD1 4.36Å; E322-L324 HydrophobicContact CB-CG 4.39Å; E322-L324 PolarHBondContact O-N 3.23Å
323K90.2Very high92.4Very high183 Ų18356.4 Ų56.480%0.79627%0.272SS*.THydrogen-bonded Turntrans56.741-177.7-56.4179.5179179.30112.6L319 L320 R321 P325L319-K323 PolarHBondContact O-N 2.93Å; L320-K323 PolarHBondContact O-N 3.3Å; R321-K323 PolarHBondContact O-N 3.18Å; K323-P325 WeakPolarHBondContact O-CD 3.29Å
324L91.9Very high92.5Very high7 Ų752.1 Ų52.14%0.03725%0.248CC..  trans-107.593.7173.7-68.3175.9000109.7V294 V297 K298 A302 L319 E322 A326V294-L324 HydrophobicContact CG1-CD1 4.27Å; V297-L324 HydrophobicContact CG1-CD1 4.2Å; K298-L324 HydrophobicContact CB-CD1 4.17Å; A302-L324 WeakPolarHBondContact O-CD2 3.44Å; L319-L324 HydrophobicContact CD2-CB 3.95Å; L319-L324 HydrophobicContact CD2-CD1 4.16Å; L319-L324 PolarHBondContact O-N 2.67Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 HydrophobicContact CB-CD1 4.36Å; E322-L324 HydrophobicContact CB-CG 4.39Å; E322-L324 PolarHBondContact O-N 3.23Å; L324-A326 PolarHBondContact O-N 2.97Å
325P93.6Very high92.6Very high5 Ų547.7 Ų47.73%0.03223%0.228CC..  trans-48.9136.1165.9-2732.5000111.1F239 P245 V248 N303 L304 V305 K323F239-P325 HydrophobicContact CD1-CB 3.96Å; F239-P325 HydrophobicContact CE1-CB 3.74Å; P245-P325 HydrophobicContact CG-CG 3.53Å; V248-P325 HydrophobicContact CG2-CB 4.16Å; V248-P325 HydrophobicContact CG2-CG 3.78Å; N303-P325 WeakPolarHBondContact O-CD 3.36Å; L304-P325 WeakPolarHBondContact CA-O 3.34Å; L304-P325 HydrophobicContact CD1-CB 3.87Å; L304-P325 WeakPolarHBondContact CD1-O 3.43Å; V305-P325 PolarHBondContact N-O 3.22Å; K323-P325 WeakPolarHBondContact O-CD 3.29Å
326A94.2Very high92.7Very high0 Ų053.1 Ų53.10%025%0.253CS..EExtended strand (participates in β ladder)trans-137.6150.3-178.300000111.7S240 M244 V305 F311 L319 L324S240-A326 WeakPolarHBondContact CB-O 3.27Å; S240-A326 PolarHBondContact N-O 3.36Å; S240-A326 PolarHBondContact OG-O 2.88Å; M244-A326 HydrophobicContact CE-CB 4.18Å; M244-A326 PolarHBondContact SD-N 3.14Å; M244-A326 VanDerWaalsContact SD-N 3.37Å; V305-A326 HydrophobicContact CB-CB 3.98Å; V305-A326 CarbonylContact O-C 3.46Å; V305-A326 VanDerWaalsContact O-CA 3.22Å; V305-A326 WeakPolarHBondContact O-CA 3.42Å; F311-A326 HydrophobicContact CD2-CB 4.39Å; F311-A326 HydrophobicContact CE2-CB 3.45Å; F311-A326 VanDerWaalsContact CE2-CB 3.45Å; F311-A326 HydrophobicContact CZ-CB 3.81Å; L319-A326 HydrophobicContact CD1-CB 3.86Å; L324-A326 PolarHBondContact O-N 2.97Å
327V94.5Very high92.6Very high1 Ų153.6 Ų53.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-126.1126.3175.8-172.20000107.6K237 F239 L304 V305 I306 C307 F311 V330 L377K237-V327 HydrophobicContact CB-CG1 3.78Å; K237-V327 HydrophobicContact CG-CG1 4.42Å; F239-V327 HydrophobicContact CD1-CG2 4.24Å; F239-V327 HydrophobicContact CE1-CG2 4.44Å; L304-V327 HydrophobicContact CD1-CG2 4.47Å; V305-V327 PolarHBondContact O-N 3.17Å; I306-V327 HydrophobicContact CG1-CB 4.47Å; C307-V327 PolarHBondContact N-O 3.31Å; F311-V327 VanDerWaalsContact CZ-O 3.28Å; F311-V327 WeakPolarHBondContact CZ-O 3.43Å; V327-V330 HydrophobicContact CB-CG2 4.24Å; V327-V330 HydrophobicContact CG1-CG2 3.55Å; V327-L377 HydrophobicContact CG2-CD1 3.83Å
328R93.5Very high92.6Very high84 Ų8448.4 Ų48.432%0.31723%0.231SC..  trans-107.2158.8178.353.6177.5-174.7-178.41.3111.1F311F311-R328 HydrophobicContact CD1-CB 4.27Å; F311-R328 HydrophobicContact CD2-CB 3.73Å; F311-R328 HydrophobicContact CD2-CG 4.16Å; F311-R328 HydrophobicContact CE1-CB 4.18Å; F311-R328 HydrophobicContact CE2-CB 3.59Å; F311-R328 HydrophobicContact CE2-CG 4.22Å; F311-R328 HydrophobicContact CG-CB 4.07Å; F311-R328 HydrophobicContact CZ-CB 3.83Å
329W94Very high92.7Very high139 Ų13947.8 Ų47.853%0.52723%0.229SC..SBendtrans61.638.8175-57.5113000114.5K237 C307 Q308 W309 G310K237-W329 VanDerWaalsContact CE-O 3.24Å; K237-W329 WeakPolarHBondContact CE-O 3.43Å; C307-W329 PolarHBondContact O-N 2.81Å; Q308-W329 VanDerWaalsContact O-CA 3.3Å; Q308-W329 WeakPolarHBondContact O-CA 3.42Å; W309-W329 HydrophobicContact CE3-CH2 4.47Å; W309-W329 AromaticContact CE3-CZ3 3.77Å; W309-W329 HydrophobicContact CE3-CZ3 3.77Å; W309-W329 HydrophobicContact CZ3-CZ3 4.3Å; W309-W329 PolarHBondContact O-N 2.98Å; G310-W329 VanDerWaalsContact CA-CE2 3.48Å
330V94.6Very high92.6Very high2 Ų251.1 Ų51.11%0.01225%0.247CC..  trans-79135.7175.2-175.40000110.3V235 I306 C307 Q308 V327 E334 I335 I338V235-V330 HydrophobicContact CG1-CG1 4.05Å; V235-V330 HydrophobicContact CG1-CG2 4.14Å; I306-V330 HydrophobicContact CG2-CB 4.1Å; I306-V330 HydrophobicContact CG2-CG1 4.22Å; I306-V330 HydrophobicContact CG2-CG2 3.75Å; C307-V330 PolarHBondContact O-N 3.5Å; C307-V330 VanDerWaalsContact O-N 3.11Å; Q308-V330 WeakPolarHBondContact CA-O 3.43Å; Q308-V330 WeakPolarHBondContact CG-O 3.34Å; V327-V330 HydrophobicContact CB-CG2 4.24Å; V327-V330 HydrophobicContact CG1-CG2 3.55Å; V330-E334 HydrophobicContact CG1-CB 3.74Å; V330-I335 HydrophobicContact CB-CD1 4.26Å; V330-I335 HydrophobicContact CB-CG1 4.08Å; V330-I335 HydrophobicContact CG1-CD1 4.45Å; V330-I335 HydrophobicContact CG1-CG1 3.76Å; V330-I338 HydrophobicContact CG1-CD1 4.17Å
331G93.3Very high92.6Very high28 Ų2849.6 Ų49.629%0.28924%0.239SC..  trans-64.2153.2-177.700000112.8E334 I335G331-E334 PolarHBondContact N-OE2 3.09Å; G331-E334 PolarHBondContact O-N 3.17Å; G331-I335 WeakPolarHBondContact O-CG1 3.36Å; G331-I335 PolarHBondContact O-N 3.45Å
332G92.2Very high92.5Very high24 Ų2441.3 Ų41.325%0.24721%0.208CC..Hα-helixtrans-54.4-53.5175.900000113.5E334 I335 E336G332-E334 VanDerWaalsContact C-N 3.26Å; G332-E334 PolarHBondContact O-N 3.33Å; G332-I335 WeakPolarHBondContact O-CB 3.21Å; G332-I335 PolarHBondContact O-N 3.37Å; G332-I335 VanDerWaalsContact O-N 3.14Å; G332-E336 PolarHBondContact O-N 3.06Å; G332-E336 VanDerWaalsContact O-N 3.15Å
333P90.9Very high92.5Very high94 Ų9441 Ų4161%0.6122%0.22SC*.Hα-helixtrans-60.3-34.9177.4-24.934.5000113.1E336 L337P333-E336 PolarHBondContact O-N 2.89Å; P333-L337 WeakPolarHBondContact O-CG 3.45Å; P333-L337 PolarHBondContact O-N 2.92Å
334E91.3Very high92.6Very high25 Ų2532.8 Ų32.812%0.11719%0.187CC..Hα-helixtrans-68-39.1177.8-57.5-177.513200111.6K215 V330 G331 G332 E336 L337 I338K215-E334 IonicContact NZ-OE1 2.66Å; K215-E334 PolarHBondContact NZ-OE1 3.08Å; V330-E334 HydrophobicContact CG1-CB 3.74Å; G331-E334 PolarHBondContact N-OE2 3.09Å; G331-E334 PolarHBondContact O-N 3.17Å; G332-E334 VanDerWaalsContact C-N 3.26Å; G332-E334 PolarHBondContact O-N 3.33Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-L337 PolarHBondContact O-N 3.41Å; E334-I338 WeakPolarHBondContact O-CB 3.5Å; E334-I338 WeakPolarHBondContact O-CD1 3.34Å; E334-I338 WeakPolarHBondContact O-CG1 3.45Å; E334-I338 PolarHBondContact O-N 3.01Å
335I93.4Very high92.7Very high3 Ų340.8 Ų40.82%0.01522%0.217CC..Hα-helixtrans-63.6-42.1176.7-77.3175.4000111.4I255 Q308 V330 G331 G332 I338 A339 I346I255-I335 HydrophobicContact CG2-CG2 3.62Å; Q308-I335 VanDerWaalsContact CA-CD1 3.46Å; Q308-I335 HydrophobicContact CB-CD1 3.33Å; Q308-I335 HydrophobicContact CG-CD1 3.74Å; V330-I335 HydrophobicContact CB-CD1 4.26Å; V330-I335 HydrophobicContact CB-CG1 4.08Å; V330-I335 HydrophobicContact CG1-CD1 4.45Å; V330-I335 HydrophobicContact CG1-CG1 3.76Å; G331-I335 WeakPolarHBondContact O-CG1 3.36Å; G331-I335 PolarHBondContact O-N 3.45Å; G332-I335 WeakPolarHBondContact O-CB 3.21Å; G332-I335 PolarHBondContact O-N 3.37Å; G332-I335 VanDerWaalsContact O-N 3.14Å; I335-I338 PolarHBondContact O-N 3.25Å; I335-A339 WeakPolarHBondContact O-CB 3.25Å; I335-A339 PolarHBondContact O-N 3.06Å; I335-I346 HydrophobicContact CG2-CD1 3.82Å; I335-I346 HydrophobicContact CG2-CG1 3.87Å; I335-I346 HydrophobicContact CG2-CG2 4.13Å
336E92.5Very high92.8Very high114 Ų11443.8 Ų43.853%0.53323%0.232SC..Hα-helixtrans-62.6-45.7175.8-70.1175.2175.700110.9G332 P333 E334 I338 A339 I340 I346G332-E336 PolarHBondContact O-N 3.06Å; G332-E336 VanDerWaalsContact O-N 3.15Å; P333-E336 PolarHBondContact O-N 2.89Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E336-I338 PolarHBondContact O-N 3.45Å; E336-A339 WeakPolarHBondContact O-CB 3.35Å; E336-A339 PolarHBondContact O-N 3.29Å; E336-I340 WeakPolarHBondContact O-CG1 2.95Å; E336-I340 PolarHBondContact O-N 3.44Å; E336-I346 HydrophobicContact CG-CD1 3.98Å
337L91.2Very high92.8Very high18 Ų1843.9 Ų43.99%0.09423%0.232CC..Hα-helixtrans-61.5-42.3175.4-73168.7000112.7E212 K215 V233 P333 E334 A339 I340 A341E212-L337 WeakPolarHBondContact O-CD2 3.36Å; K215-L337 HydrophobicContact CB-CD1 4.06Å; K215-L337 HydrophobicContact CD-CD1 4.14Å; K215-L337 HydrophobicContact CG-CD1 4.16Å; V233-L337 HydrophobicContact CG1-CB 4.36Å; V233-L337 HydrophobicContact CG2-CB 4.09Å; P333-L337 WeakPolarHBondContact O-CG 3.45Å; P333-L337 PolarHBondContact O-N 2.92Å; E334-L337 PolarHBondContact O-N 3.41Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-I340 PolarHBondContact O-N 2.93Å; L337-A341 VanDerWaalsContact O-CB 3.24Å; L337-A341 WeakPolarHBondContact O-CB 3.39Å; L337-A341 PolarHBondContact O-N 3.35Å
338I93Very high92.8Very high1 Ų146.9 Ų46.91%0.00525%0.252CS..Hα-helixtrans-63.6-42.4176.3-68.1162.3000110.4V233 V235 L253 I255 I306 V330 E334 I335 E336 A341 T342 I379V233-I338 HydrophobicContact CB-CG1 4.1Å; V233-I338 HydrophobicContact CG1-CG1 3.91Å; V233-I338 HydrophobicContact CG2-CG1 4.35Å; V235-I338 HydrophobicContact CG2-CD1 3.72Å; L253-I338 HydrophobicContact CD2-CG2 4.45Å; I255-I338 HydrophobicContact CD1-CG2 3.92Å; I255-I338 HydrophobicContact CG1-CG2 4.33Å; I306-I338 HydrophobicContact CD1-CD1 3.97Å; I306-I338 HydrophobicContact CD1-CG2 4.05Å; I306-I338 HydrophobicContact CG2-CD1 4.25Å; V330-I338 HydrophobicContact CG1-CD1 4.17Å; E334-I338 WeakPolarHBondContact O-CB 3.5Å; E334-I338 WeakPolarHBondContact O-CD1 3.34Å; E334-I338 WeakPolarHBondContact O-CG1 3.45Å; E334-I338 PolarHBondContact O-N 3.01Å; I335-I338 PolarHBondContact O-N 3.25Å; E336-I338 PolarHBondContact O-N 3.45Å; I338-A341 PolarHBondContact O-N 3.35Å; I338-T342 HydrophobicContact CG2-CG2 4.07Å; I338-T342 VanDerWaalsContact O-CB 3.31Å; I338-T342 WeakPolarHBondContact O-CB 3.14Å; I338-T342 VanDerWaalsContact O-CG2 3.3Å; I338-T342 WeakPolarHBondContact O-CG2 3.44Å; I338-T342 PolarHBondContact O-N 3.01Å; I338-T342 PolarHBondContact O-OG1 3.14Å; I338-I379 HydrophobicContact CD1-CD1 4.13Å; I338-I379 HydrophobicContact CG1-CD1 3.96Å; I338-I379 HydrophobicContact CG2-CD1 4.15Å
339A93.2Very high92.6Very high10 Ų1050.2 Ų50.28%0.08326%0.264CS..Hα-helixtrans-60.4-46.7177.200000111.1I255 I335 E336 L337 G343 G344 I346I255-A339 HydrophobicContact CD1-CB 3.89Å; I335-A339 WeakPolarHBondContact O-CB 3.25Å; I335-A339 PolarHBondContact O-N 3.06Å; E336-A339 WeakPolarHBondContact O-CB 3.35Å; E336-A339 PolarHBondContact O-N 3.29Å; L337-A339 VanDerWaalsContact C-N 3.34Å; A339-G343 CarbonylContact O-C 3.54Å; A339-G343 WeakPolarHBondContact O-CA 3.41Å; A339-G343 PolarHBondContact O-N 3.31Å; A339-G344 WeakPolarHBondContact CB-O 3.39Å; A339-G344 PolarHBondContact O-N 3.02Å; A339-G344 VanDerWaalsContact O-N 3.14Å; A339-I346 HydrophobicContact CB-CD1 4.25Å; A339-I346 HydrophobicContact CB-CG1 3.79Å
340I92Very high92.5Very high70 Ų7044.4 Ų44.436%0.35924%0.243SC..Hα-helixtrans-65.1-45.3178.2-64.5165.5000111.5L213 E336 L337 N384L213-I340 HydrophobicContact CD2-CD1 3.88Å; L213-I340 HydrophobicContact CD2-CG2 3.81Å; E336-I340 WeakPolarHBondContact O-CG1 2.95Å; E336-I340 PolarHBondContact O-N 3.44Å; L337-I340 PolarHBondContact O-N 2.93Å; I340-N384 WeakPolarHBondContact O-CB 3.48Å; I340-N384 PolarHBondContact O-ND2 2.89Å
341A91.6Very high92.2Very high1 Ų150.1 Ų50.11%0.00827%0.269CS..Hα-helixtrans-63.1-48.7-179.200000111.4V233 L337 I338 C382 N384 A387V233-A341 HydrophobicContact CG2-CB 3.81Å; L337-A341 VanDerWaalsContact O-CB 3.24Å; L337-A341 WeakPolarHBondContact O-CB 3.39Å; L337-A341 PolarHBondContact O-N 3.35Å; I338-A341 PolarHBondContact O-N 3.35Å; A341-C382 HydrophobicContact CB-CB 4.31Å; A341-C382 WeakPolarHBondContact O-CB 3.47Å; A341-N384 WeakPolarHBondContact O-CB 3.36Å; A341-N384 PolarHBondContact O-N 2.86Å; A341-N384 VanDerWaalsContact O-O 3.08Å; A341-A387 HydrophobicContact CB-CB 3.78Å
342T91.4Very high92.2Very high1 Ų152.5 Ų52.51%0.00627%0.273CS..Hα-helixtrans-87.4-8.7-172.765.70000113.5L253 I338 G344 G359 K360 A361 I379L253-T342 HydrophobicContact CD1-CG2 3.87Å; L253-T342 HydrophobicContact CD2-CG2 4.34Å; I338-T342 HydrophobicContact CG2-CG2 4.07Å; I338-T342 VanDerWaalsContact O-CB 3.31Å; I338-T342 WeakPolarHBondContact O-CB 3.14Å; I338-T342 VanDerWaalsContact O-CG2 3.3Å; I338-T342 WeakPolarHBondContact O-CG2 3.44Å; I338-T342 PolarHBondContact O-N 3.01Å; I338-T342 PolarHBondContact O-OG1 3.14Å; T342-G344 PolarHBondContact O-N 3.39Å; T342-G344 PolarHBondContact OG1-N 3.23Å; T342-G359 WeakPolarHBondContact O-CA 3.3Å; T342-G359 WeakPolarHBondContact OG1-CA 3.17Å; T342-K360 PolarHBondContact O-N 3.09Å; T342-A361 HydrophobicContact CG2-CB 4.32Å; T342-I379 HydrophobicContact CG2-CG2 4.18Å
343G90Very high92.2Very high52 Ų5252 Ų5254%0.53627%0.265SS..THydrogen-bonded Turntrans69.810.8-172.500000114A339A339-G343 CarbonylContact O-C 3.54Å; A339-G343 WeakPolarHBondContact O-CA 3.41Å; A339-G343 PolarHBondContact O-N 3.31Å
344G91.7Very high92.2Very high9 Ų950.5 Ų50.59%0.09325%0.254CS..PPolyproline II helixtrans-75.7158.5178.700000112.3A339 T342 G359A339-G344 WeakPolarHBondContact CB-O 3.39Å; A339-G344 PolarHBondContact O-N 3.02Å; A339-G344 VanDerWaalsContact O-N 3.14Å; T342-G344 PolarHBondContact O-N 3.39Å; T342-G344 PolarHBondContact OG1-N 3.23Å; G344-G359 VanDerWaalsContact CA-CA 3.48Å
345R94.3Very high92.3Very high176 Ų17656.4 Ų56.466%0.66428%0.279SS*.PPolyproline II helixtrans-102.3139.1170.9-65.7-167.6-178.5179.91.6110.1V347 K357R345-V347 WeakPolarHBondContact O-CG2 3.38Å; R345-V347 PolarHBondContact O-N 3.11Å; R345-K357 HydrophobicContact CB-CB 4.11Å; R345-K357 HydrophobicContact CB-CG 4.17Å; R345-K357 PolarHBondContact N-O 2.91Å
346I95.5Very high92.2Very high68 Ų6865.1 Ų65.135%0.34932%0.32SS..PPolyproline II helixtrans-70.2123173.1-54.9171.7000108.2I255 T257 I335 E336 A339I255-I346 HydrophobicContact CG2-CG1 4.14Å; T257-I346 HydrophobicContact CG2-CG2 3.36Å; I335-I346 HydrophobicContact CG2-CD1 3.82Å; I335-I346 HydrophobicContact CG2-CG1 3.87Å; I335-I346 HydrophobicContact CG2-CG2 4.13Å; E336-I346 HydrophobicContact CG-CD1 3.98Å; A339-I346 HydrophobicContact CB-CD1 4.25Å; A339-I346 HydrophobicContact CB-CG1 3.79Å
347V95.1Very high92.3Very high1 Ų162.1 Ų62.11%0.00631%0.305CS..BIsolated β-bridgetrans-111.1123.4-176.5-176.80000110.9I255 L256 T257 R345 R349 E352 L353 K357I255-V347 PolarHBondContact O-N 3.2Å; L256-V347 WeakPolarHBondContact CA-O 3.44Å; L256-V347 HydrophobicContact CD2-CB 4.1Å; L256-V347 HydrophobicContact CD2-CG1 4.49Å; T257-V347 PolarHBondContact N-O 2.94Å; T257-V347 PolarHBondContact OG1-O 2.91Å; R345-V347 WeakPolarHBondContact O-CG2 3.38Å; R345-V347 PolarHBondContact O-N 3.11Å; V347-R349 WeakPolarHBondContact CG1-O 3.35Å; V347-E352 HydrophobicContact CG1-CB 3.95Å; V347-L353 HydrophobicContact CB-CD1 4.25Å; V347-L353 HydrophobicContact CG1-CB 4.37Å; V347-L353 HydrophobicContact CG1-CD1 4.43Å; V347-L353 HydrophobicContact CG2-CD1 3.88Å; V347-K357 HydrophobicContact CG2-CB 4.16Å; V347-K357 HydrophobicContact CG2-CD 3.83Å
348P93.2Very high92.4Very high64 Ų6461.8 Ų61.842%0.41630%0.303SS..SBendtrans-85.5-16.2-177.232.9-35.7000115T257 C258T257-P348 VanDerWaalsContact OG1-CA 3.31Å; T257-P348 WeakPolarHBondContact OG1-CA 3.38Å; C258-P348 WeakPolarHBondContact CB-O 3.32Å
349R91.3Very high92.3Very high154 Ų15461.8 Ų61.858%0.58130%0.303SS*.SBendtrans-142.3143.2-177.3-63.5-176.8-175.21764.5111.3V347 E351 E352V347-R349 WeakPolarHBondContact CG1-O 3.35Å; R349-E351 PolarHBondContact O-N 3.42Å; R349-E352 HydrophobicContact CB-CG 4.43Å; R349-E352 PolarHBondContact O-N 2.99Å; R349-E352 VanDerWaalsContact O-N 3.1Å
350F90.1Very high92.3Very high18 Ų1866.5 Ų66.58%0.07932%0.322CS..G310 helixtrans-59.9-31.1178.3-62.8-75.2000113.4L256 C258 P259 F260 M293 V297 E352 L353L256-F350 HydrophobicContact CD1-CD1 4.27Å; L256-F350 HydrophobicContact CD1-CE1 3.75Å; C258-F350 HydrophobicContact CB-CD2 4.48Å; C258-F350 HydrophobicContact CB-CE2 4.08Å; C258-F350 HydrophobicContact CB-CZ 4.46Å; C258-F350 VanDerWaalsContact SG-CE2 3.54Å; C258-F350 VanDerWaalsContact SG-CZ 3.58Å; P259-F350 WeakPolarHBondContact O-CE2 3.44Å; F260-F350 HydrophobicContact CD1-CE1 4.13Å; F260-F350 HydrophobicContact CD1-CZ 4.01Å; F260-F350 HydrophobicContact CD2-CE1 4.22Å; F260-F350 AromaticContact CD2-CZ 3.95Å; F260-F350 HydrophobicContact CD2-CZ 3.95Å; F260-F350 AromaticContact CE1-CE1 3.71Å; F260-F350 HydrophobicContact CE1-CE1 3.71Å; F260-F350 HydrophobicContact CE1-CZ 4.08Å; F260-F350 AromaticContact CE2-CE1 3.85Å; F260-F350 HydrophobicContact CE2-CE1 3.85Å; F260-F350 HydrophobicContact CE2-CZ 4.05Å; F260-F350 HydrophobicContact CG-CE1 4.38Å; F260-F350 AromaticContact CG-CZ 3.96Å; F260-F350 HydrophobicContact CG-CZ 3.96Å; F260-F350 AromaticContact CZ-CE1 3.58Å; F260-F350 HydrophobicContact CZ-CE1 3.58Å; F260-F350 HydrophobicContact CZ-CZ 4.12Å; M293-F350 HydrophobicContact CB-CD1 4.48Å; M293-F350 HydrophobicContact CB-CE1 4.46Å; M293-F350 HydrophobicContact CB-CE2 4.5Å; M293-F350 HydrophobicContact CB-CZ 4.48Å; M293-F350 HydrophobicContact CG-CD2 3.92Å; M293-F350 HydrophobicContact CG-CE2 4Å; M293-F350 HydrophobicContact CG-CG 4.29Å; M293-F350 HydrophobicContact CG-CZ 4.44Å; M293-F350 HydrophobicContact SD-CD2 4.22Å; M293-F350 HydrophobicContact SD-CE2 3.77Å; M293-F350 HydrophobicContact SD-CZ 4.25Å; V297-F350 HydrophobicContact CG2-CD1 4.15Å; V297-F350 HydrophobicContact CG2-CE1 4.37Å; F350-E352 VanDerWaalsContact C-N 3.26Å; F350-E352 PolarHBondContact O-N 2.97Å; F350-L353 PolarHBondContact O-N 3.16Å
351E89.6Confident92.3Very high121 Ų12163.4 Ų63.457%0.56531%0.307SS*.G310 helixtrans-64.7-28.9177.1-65.180.7-156.200113.3R296 R349 L353R296-E351 IonicContact CZ-OE1 3.72Å; R296-E351 VanDerWaalsContact NH1-CG 3.34Å; R296-E351 IonicContact NH1-OE1 3.97Å; R296-E351 PolarHBondContact NH1-OE1 2.89Å; R296-E351 IonicContact NH2-OE1 3.63Å; R349-E351 PolarHBondContact O-N 3.42Å; E351-L353 VanDerWaalsContact C-N 3.33Å
352E91.7Very high92.3Very high79 Ų7964.3 Ų64.337%0.36932%0.316SS..G310 helixtrans-88.9-4.9-174.4-66.9178.8-157.300112.7V347 R349 F350 T354 K357V347-E352 HydrophobicContact CG1-CB 3.95Å; R349-E352 HydrophobicContact CB-CG 4.43Å; R349-E352 PolarHBondContact O-N 2.99Å; R349-E352 VanDerWaalsContact O-N 3.1Å; F350-E352 VanDerWaalsContact C-N 3.26Å; F350-E352 PolarHBondContact O-N 2.97Å; E352-T354 PolarHBondContact O-N 2.98Å; E352-K357 WeakPolarHBondContact O-CD 3.11Å; E352-K357 WeakPolarHBondContact O-CE 3.44Å; E352-K357 PolarHBondContact O-NZ 3.21Å
353L92.2Very high92.3Very high14 Ų1465.9 Ų65.97%0.07333%0.325CS..  trans-70.6120.1179.8-168.270.4000109.2A254 L256 V297 T300 V347 F350 E351 L358A254-L353 HydrophobicContact CB-CD1 4.2Å; A254-L353 HydrophobicContact CB-CD2 4.19Å; L256-L353 HydrophobicContact CD2-CD1 3.99Å; L256-L353 HydrophobicContact CD2-CD2 4.47Å; V297-L353 HydrophobicContact CB-CD2 4.29Å; V297-L353 HydrophobicContact CG1-CD2 4.39Å; V297-L353 HydrophobicContact CG2-CD2 3.94Å; T300-L353 HydrophobicContact CG2-CB 4.32Å; T300-L353 HydrophobicContact CG2-CD2 3.98Å; T300-L353 HydrophobicContact CG2-CG 3.86Å; T300-L353 WeakPolarHBondContact CG2-O 3.48Å; V347-L353 HydrophobicContact CB-CD1 4.25Å; V347-L353 HydrophobicContact CG1-CB 4.37Å; V347-L353 HydrophobicContact CG1-CD1 4.43Å; V347-L353 HydrophobicContact CG2-CD1 3.88Å; F350-L353 PolarHBondContact O-N 3.16Å; E351-L353 VanDerWaalsContact C-N 3.33Å; L353-L358 HydrophobicContact CD1-CD2 4.16Å
354T92.4Very high92.5Very high61 Ų6163.4 Ų63.437%0.37430%0.299SS..  trans-132.2155.8-178.445.20000108.6E352 E356 K357E352-T354 PolarHBondContact O-N 2.98Å; T354-E356 PolarHBondContact O-N 3.29Å; T354-K357 PolarHBondContact O-N 3.28Å; T354-K357 WeakPolarHBondContact OG1-CD 3.5Å; T354-K357 WeakPolarHBondContact OG1-CE 3.41Å; T354-K357 VanDerWaalsContact OG1-CG 3.3Å; T354-K357 WeakPolarHBondContact OG1-CG 3.42Å
355K92.7Very high92.5Very high150 Ų15066.9 Ų66.965%0.65231%0.309SS*.G310 helixtrans-57.5-32-177.3-175177.9177.3-174.10113.3K357K355-K357 VanDerWaalsContact C-N 3.3Å; K355-K357 PolarHBondContact O-N 2.96Å
356E92.4Very high92.3Very high186 Ų18659.7 Ų59.787%0.86928%0.283SS*.G310 helixtrans-70.9-23.5179-62.9177.7-175.200113.5T354 L358T354-E356 PolarHBondContact O-N 3.29Å; E356-L358 VanDerWaalsContact C-N 3.34Å
357K92.9Very high91.9Very high50 Ų5057.6 Ų57.622%0.21727%0.273CS..G310 helixtrans-85.8-7.4-178.8-66.4-177.8-172.7176.50113.1R345 V347 E352 T354 K355R345-K357 HydrophobicContact CB-CB 4.11Å; R345-K357 HydrophobicContact CB-CG 4.17Å; R345-K357 PolarHBondContact N-O 2.91Å; V347-K357 HydrophobicContact CG2-CB 4.16Å; V347-K357 HydrophobicContact CG2-CD 3.83Å; E352-K357 WeakPolarHBondContact O-CD 3.11Å; E352-K357 WeakPolarHBondContact O-CE 3.44Å; E352-K357 PolarHBondContact O-NZ 3.21Å; T354-K357 PolarHBondContact O-N 3.28Å; T354-K357 WeakPolarHBondContact OG1-CD 3.5Å; T354-K357 WeakPolarHBondContact OG1-CE 3.41Å; T354-K357 VanDerWaalsContact OG1-CG 3.3Å; T354-K357 WeakPolarHBondContact OG1-CG 3.42Å; K355-K357 VanDerWaalsContact C-N 3.3Å; K355-K357 PolarHBondContact O-N 2.96Å
358L93.4Very high91.2Very high12 Ų1261.7 Ų61.76%0.06330%0.301CS..  trans-72.5133.6-178.8-60.5178.9000110.9R252 L253 A254 T300 A302 L353 E356R252-L358 HydrophobicContact CB-CD1 4.33Å; L253-L358 WeakPolarHBondContact O-CA 3.25Å; A254-L358 HydrophobicContact CB-CD2 3.93Å; T300-L358 WeakPolarHBondContact O-CD1 3.3Å; A302-L358 HydrophobicContact CB-CD1 4.15Å; A302-L358 HydrophobicContact CB-CD2 3.89Å; L353-L358 HydrophobicContact CD1-CD2 4.16Å; E356-L358 VanDerWaalsContact C-N 3.34Å
359G92.6Very high90.4Very high0 Ų059.8 Ų59.80%029%0.286CS..EExtended strand (participates in β ladder)trans-73.7153.2171.300000111.4R252 L253 T342 G344R252-G359 CarbonylContact C-O 3.57Å; R252-G359 VanDerWaalsContact CA-O 3.25Å; R252-G359 WeakPolarHBondContact CA-O 3.24Å; L253-G359 WeakPolarHBondContact CD1-O 3.46Å; L253-G359 PolarHBondContact N-O 2.94Å; L253-G359 PolarHBondContact O-N 3.4Å; T342-G359 WeakPolarHBondContact O-CA 3.3Å; T342-G359 WeakPolarHBondContact OG1-CA 3.17Å; G344-G359 VanDerWaalsContact CA-CA 3.48Å
360K93Very high89.3Confident109 Ų10956 Ų5647%0.47430%0.296SS..EExtended strand (participates in β ladder)trans-117.3129.8175.9-56-172.8-147.6126.10111.2A251 T342 E383A251-K360 WeakPolarHBondContact O-CA 2.97Å; T342-K360 PolarHBondContact O-N 3.09Å; K360-E383 WeakPolarHBondContact CD-OE2 3.43Å; K360-E383 IonicContact NZ-OE1 3.76Å; K360-E383 PolarHBondContact NZ-OE1 2.96Å; K360-E383 IonicContact NZ-OE2 2.73Å; K360-E383 PolarHBondContact NZ-OE2 3.27Å
361A92.1Very high88.1Confident5 Ų562.3 Ų62.34%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-137.9143.1170.200000110.8N250 A251 L253 T342 V364 I379N250-A361 CarbonylContact C-O 3.33Å; A251-A361 WeakPolarHBondContact CA-O 3.4Å; A251-A361 HydrophobicContact CB-CB 4.33Å; A251-A361 PolarHBondContact N-O 3.19Å; A251-A361 PolarHBondContact O-N 2.88Å; L253-A361 HydrophobicContact CD1-CB 3.79Å; T342-A361 HydrophobicContact CG2-CB 4.32Å; A361-V364 HydrophobicContact CB-CG2 4.38Å; A361-I379 HydrophobicContact CB-CG2 3.59Å
362G90.6Very high86.9Confident21 Ų2160.3 Ų60.322%0.21633%0.332CS..EExtended strand (participates in β ladder)trans-74-35.3-178.800000113.4N250 E380 K381N250-G362 PolarHBondContact N-O 2.9Å; G362-E380 PolarHBondContact N-O 3.35Å; G362-K381 PolarHBondContact N-O 2.72Å
363L92.4Very high85.8Confident34 Ų3466.3 Ų66.318%0.17836%0.357CS..EExtended strand (participates in β ladder)trans-146.2127.4-178.4-178.863.7000110.9E249 E380E249-L363 HydrophobicContact CG-CD1 4.14Å; L363-E380 PolarHBondContact N-O 3.47Å; L363-E380 VanDerWaalsContact N-O 3.11Å; L363-E380 PolarHBondContact O-N 2.9Å
364V93.3Very high85.1Confident0 Ų070.1 Ų70.10%038%0.375CS..EExtended strand (participates in β ladder)trans-117.7120.6166.7-1790000107.8F239 S247 V248 A251 L304 A361 L377 V378 I379F239-V364 HydrophobicContact CZ-CG1 4.36Å; S247-V364 CarbonylContact C-O 3.4Å; S247-V364 VanDerWaalsContact CA-O 3.27Å; S247-V364 WeakPolarHBondContact CA-O 3.24Å; V248-V364 HydrophobicContact CB-CB 4.44Å; V248-V364 PolarHBondContact N-O 3.05Å; V248-V364 PolarHBondContact O-N 3.39Å; A251-V364 HydrophobicContact CB-CG2 3.67Å; L304-V364 HydrophobicContact CD2-CB 4.01Å; L304-V364 HydrophobicContact CD2-CG1 3.77Å; L304-V364 HydrophobicContact CD2-CG2 3.71Å; A361-V364 HydrophobicContact CB-CG2 4.38Å; V364-L377 HydrophobicContact CG1-CD1 3.67Å; V364-L377 HydrophobicContact CG1-CD2 3.65Å; V364-L377 HydrophobicContact CG1-CG 3.64Å; V364-V378 WeakPolarHBondContact CA-O 3.45Å; V364-I379 HydrophobicContact CG1-CG1 4.21Å; V364-I379 HydrophobicContact CG2-CB 4.38Å; V364-I379 HydrophobicContact CG2-CG1 4.1Å; V364-I379 HydrophobicContact CG2-CG2 4.06Å
365R92.5Very high84.7Confident81 Ų8171 Ų7131%0.30637%0.371SS..EExtended strand (participates in β ladder)trans-134.4145.5-17864.1-177.1176.2117.37.9111.6R246 V378 E380R246-R365 WeakPolarHBondContact O-CA 3.25Å; R365-V378 HydrophobicContact CG-CB 4.41Å; R365-V378 PolarHBondContact N-O 3.3Å; R365-V378 PolarHBondContact O-N 3.04Å; R365-E380 IonicContact CZ-OE1 2.77Å; R365-E380 IonicContact CZ-OE2 2.84Å; R365-E380 IonicContact NE-OE1 3.96Å; R365-E380 IonicContact NE-OE2 3.56Å; R365-E380 PolarHBondContact NE-OE2 3.17Å; R365-E380 IonicContact NH2-OE1 2.8Å; R365-E380 PolarHBondContact NH2-OE1 3.34Å; R365-E380 IonicContact NH2-OE2 3.92Å
366E90Very high84.6Confident25 Ų2563.9 Ų63.912%0.11734%0.34CS..EExtended strand (participates in β ladder)trans-84.9115.7171.4-171.6177-137.100109.2D238 F239 R246 R375 M376D238-E366 WeakPolarHBondContact CB-OE1 3.36Å; F239-E366 HydrophobicContact CD2-CB 4.24Å; F239-E366 HydrophobicContact CE2-CB 4.01Å; R246-E366 HydrophobicContact CB-CB 4.26Å; R246-E366 WeakPolarHBondContact CG-OE2 3.44Å; R246-E366 IonicContact NE-OE2 3.66Å; R246-E366 WeakPolarHBondContact O-CB 3.3Å; R246-E366 PolarHBondContact O-N 2.64Å; E366-R375 HydrophobicContact CG-CB 3.66Å; E366-R375 HydrophobicContact CG-CG 4.25Å; E366-R375 WeakPolarHBondContact OE1-CB 3.26Å; E366-R375 WeakPolarHBondContact OE1-CD 3.25Å; E366-R375 IonicContact OE1-NH1 2.74Å; E366-R375 VanDerWaalsContact OE2-CD 3.3Å; E366-R375 WeakPolarHBondContact OE2-CD 2.99Å; E366-R375 IonicContact OE2-CZ 2.74Å; E366-R375 IonicContact OE2-NE 2.81Å; E366-R375 IonicContact OE2-NH1 2.96Å; E366-R375 PolarHBondContact OE2-NH1 3.41Å; E366-M376 CarbonylContact C-O 3.46Å; E366-M376 WeakPolarHBondContact CA-O 3.36Å
367L85.3Confident84.6Confident25 Ų2555 Ų5513%0.13130%0.299CS..EExtended strand (participates in β ladder)trans-86.6119.5170.4-76.2-175.6000109.7F369 R375 M376 V378L367-F369 HydrophobicContact CB-CE1 3.97Å; L367-F369 HydrophobicContact CB-CE2 3.7Å; L367-F369 HydrophobicContact CB-CZ 3.41Å; L367-F369 VanDerWaalsContact CB-CZ 3.41Å; L367-F369 HydrophobicContact CD1-CE1 3.93Å; L367-F369 HydrophobicContact CD1-CE2 4.49Å; L367-F369 HydrophobicContact CD1-CZ 3.51Å; L367-F369 HydrophobicContact CG-CE1 4.48Å; L367-F369 HydrophobicContact CG-CZ 4.08Å; L367-R375 VanDerWaalsContact O-CA 3.28Å; L367-R375 WeakPolarHBondContact O-CA 3.5Å; L367-M376 PolarHBondContact N-O 3.14Å; L367-M376 PolarHBondContact O-N 3.17Å; L367-V378 HydrophobicContact CB-CG2 4.26Å; L367-V378 HydrophobicContact CD1-CB 4.44Å; L367-V378 HydrophobicContact CD1-CG2 3.33Å; L367-V378 HydrophobicContact CG-CG2 3.62Å
368S82Confident84.6Confident87 Ų8752.7 Ų52.761%0.60829%0.288SS*.EExtended strand (participates in β ladder)trans-93.2133.7167.557.10000110.1
369F75.4Confident84.6Confident23 Ų2352.1 Ų52.110%0.10129%0.286CS..  trans-119.6130.7-178.9-57.6-69.3000112.5L367 T372 E374 M376 F391L367-F369 HydrophobicContact CB-CE1 3.97Å; L367-F369 HydrophobicContact CB-CE2 3.7Å; L367-F369 HydrophobicContact CB-CZ 3.41Å; L367-F369 VanDerWaalsContact CB-CZ 3.41Å; L367-F369 HydrophobicContact CD1-CE1 3.93Å; L367-F369 HydrophobicContact CD1-CE2 4.49Å; L367-F369 HydrophobicContact CD1-CZ 3.51Å; L367-F369 HydrophobicContact CG-CE1 4.48Å; L367-F369 HydrophobicContact CG-CZ 4.08Å; F369-T372 PolarHBondContact O-OG1 3.22Å; F369-E374 PolarHBondContact N-O 2.88Å; F369-M376 HydrophobicContact CD2-CE 4.19Å; F369-M376 HydrophobicContact CE2-CB 4.11Å; F369-M376 HydrophobicContact CE2-CE 3.25Å; F369-M376 HydrophobicContact CE2-CG 4.02Å; F369-M376 HydrophobicContact CE2-SD 4.37Å; F369-M376 HydrophobicContact CZ-CE 3.73Å; F369-F391 HydrophobicContact CD1-CE1 4.43Å; F369-F391 HydrophobicContact CD2-CZ 4.5Å; F369-F391 AromaticContact CE1-CE1 3.52Å; F369-F391 HydrophobicContact CE1-CE1 3.52Å; F369-F391 AromaticContact CE1-CZ 3.92Å; F369-F391 HydrophobicContact CE1-CZ 3.92Å; F369-F391 HydrophobicContact CE2-CE1 4.23Å; F369-F391 AromaticContact CE2-CZ 3.87Å; F369-F391 HydrophobicContact CE2-CZ 3.87Å; F369-F391 HydrophobicContact CZ-CD1 4.4Å; F369-F391 AromaticContact CZ-CE1 3.36Å; F369-F391 HydrophobicContact CZ-CE1 3.36Å; F369-F391 AromaticContact CZ-CZ 3.47Å; F369-F391 HydrophobicContact CZ-CZ 3.47Å; F369-F391 VanDerWaalsContact CZ-CZ 3.47Å
370G69Low84.4Confident76 Ų7653.9 Ų53.978%0.78429%0.294SS*.SBendtrans62.3-153.7171.600000114.1
371T63.6Low84.1Confident150 Ų15056 Ų5692%0.9230%0.303SS*.SBendtrans-90-10.1173.750.40000112.6
372T65.9Low83.7Confident79 Ų7956.7 Ų56.749%0.48531%0.307SS..SBendtrans-71.4140.2173.644.60000109.1F369 E374F369-T372 PolarHBondContact O-OG1 3.22Å; T372-E374 PolarHBondContact O-N 2.9Å
373K68Low82.9Confident205 Ų20562 Ų6289%0.89133%0.326SS*.  trans-71.211.8177.3-68.4-178.7178.5176.60112.8
374E77.6Confident82.1Confident94 Ų9462.9 Ų62.944%0.43933%0.331SS..  trans-75.8132.5-178.2-67.4-173.2-161.600110.1K219 F369 T372K219-E374 IonicContact NZ-OE2 3.8Å; K219-E374 PolarHBondContact NZ-OE2 3.29Å; F369-E374 PolarHBondContact N-O 2.88Å; T372-E374 PolarHBondContact O-N 2.9Å
375R84.6Confident81.1Confident78 Ų7866.3 Ų66.329%0.29436%0.355SS..EExtended strand (participates in β ladder)trans-132.5145.8-179.5-57.5-173.4-168.8165.212.8108.4D238 E366 L367D238-R375 HydrophobicContact CB-CB 4.43Å; E366-R375 HydrophobicContact CG-CB 3.66Å; E366-R375 HydrophobicContact CG-CG 4.25Å; E366-R375 WeakPolarHBondContact OE1-CB 3.26Å; E366-R375 WeakPolarHBondContact OE1-CD 3.25Å; E366-R375 IonicContact OE1-NH1 2.74Å; E366-R375 VanDerWaalsContact OE2-CD 3.3Å; E366-R375 WeakPolarHBondContact OE2-CD 2.99Å; E366-R375 IonicContact OE2-CZ 2.74Å; E366-R375 IonicContact OE2-NE 2.81Å; E366-R375 IonicContact OE2-NH1 2.96Å; E366-R375 PolarHBondContact OE2-NH1 3.41Å; L367-R375 VanDerWaalsContact O-CA 3.28Å; L367-R375 WeakPolarHBondContact O-CA 3.5Å
376M90.3Very high80.6Confident2 Ų267.5 Ų67.51%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-129.6149.8175.6-58.3-163.7-58.300109.3K219 I234 D236 E366 L367 F369 F391K219-M376 HydrophobicContact CD-SD 4.26Å; K219-M376 VanDerWaalsContact CE-SD 3.55Å; K219-M376 HydrophobicContact CG-CE 3.97Å; K219-M376 HydrophobicContact CG-SD 3.65Å; I234-M376 HydrophobicContact CG2-CB 4.14Å; I234-M376 HydrophobicContact CG2-CE 3.8Å; I234-M376 HydrophobicContact CG2-SD 4.12Å; D236-M376 HydrophobicContact CB-SD 4.28Å; E366-M376 CarbonylContact C-O 3.46Å; E366-M376 WeakPolarHBondContact CA-O 3.36Å; L367-M376 PolarHBondContact N-O 3.14Å; L367-M376 PolarHBondContact O-N 3.17Å; F369-M376 HydrophobicContact CD2-CE 4.19Å; F369-M376 HydrophobicContact CE2-CB 4.11Å; F369-M376 HydrophobicContact CE2-CE 3.25Å; F369-M376 HydrophobicContact CE2-CG 4.02Å; F369-M376 HydrophobicContact CE2-SD 4.37Å; F369-M376 HydrophobicContact CZ-CE 3.73Å; M376-F391 HydrophobicContact CE-CD2 3.85Å; M376-F391 HydrophobicContact CE-CE1 4.2Å; M376-F391 HydrophobicContact CE-CE2 3.08Å; M376-F391 HydrophobicContact CE-CZ 3.25Å; M376-F391 HydrophobicContact SD-CE2 4.4Å
377L92.1Very high80.5Confident0 Ų066.4 Ų66.40%036%0.358CS..EExtended strand (participates in β ladder)trans-94.7128.5178.2-173.2126.9000109.4I234 V235 K237 F239 V327 V364 I379I234-L377 WeakPolarHBondContact CA-O 3.43Å; V235-L377 HydrophobicContact CB-CB 4.49Å; V235-L377 PolarHBondContact N-O 3.43Å; V235-L377 PolarHBondContact O-N 3Å; K237-L377 PolarHBondContact O-N 3.3Å; F239-L377 HydrophobicContact CD1-CD1 4.16Å; F239-L377 HydrophobicContact CD2-CD1 4.36Å; F239-L377 HydrophobicContact CE1-CD1 3.57Å; F239-L377 HydrophobicContact CE2-CD1 3.81Å; F239-L377 HydrophobicContact CZ-CD1 3.38Å; V327-L377 HydrophobicContact CG2-CD1 3.83Å; V364-L377 HydrophobicContact CG1-CD1 3.67Å; V364-L377 HydrophobicContact CG1-CD2 3.65Å; V364-L377 HydrophobicContact CG1-CG 3.64Å; L377-I379 HydrophobicContact CD2-CD1 3.87Å; L377-I379 HydrophobicContact CD2-CG1 3.55Å
378V93Very high80.8Confident0 Ų065.2 Ų65.20%035%0.352CS..EExtended strand (participates in β ladder)trans-115124.4177.2-171.10000108.8V230 I234 V364 R365 L367 E380V230-V378 HydrophobicContact CB-CG1 4.44Å; V230-V378 HydrophobicContact CG1-CG1 3.5Å; V230-V378 VanDerWaalsContact CG1-CG1 3.5Å; V230-V378 HydrophobicContact CG2-CG1 4.07Å; I234-V378 HydrophobicContact CG1-CG1 4.23Å; I234-V378 HydrophobicContact CG1-CG2 4.15Å; I234-V378 HydrophobicContact CG2-CG2 4.42Å; V364-V378 WeakPolarHBondContact CA-O 3.45Å; R365-V378 HydrophobicContact CG-CB 4.41Å; R365-V378 PolarHBondContact N-O 3.3Å; R365-V378 PolarHBondContact O-N 3.04Å; L367-V378 HydrophobicContact CB-CG2 4.26Å; L367-V378 HydrophobicContact CD1-CB 4.44Å; L367-V378 HydrophobicContact CD1-CG2 3.33Å; L367-V378 HydrophobicContact CG-CG2 3.62Å; V378-E380 HydrophobicContact CG1-CG 3.61Å
379I92.4Very high81.4Confident0 Ų061.1 Ų61.10%032%0.323CS..EExtended strand (participates in β ladder)trans-104.7112.2176.9-54.5176.5000107G232 V233 L253 I306 I338 T342 A361 V364 L377G232-I379 VanDerWaalsContact CA-O 3.3Å; G232-I379 WeakPolarHBondContact CA-O 3.38Å; V233-I379 PolarHBondContact N-O 2.87Å; V233-I379 VanDerWaalsContact N-O 3.15Å; V233-I379 PolarHBondContact O-N 2.98Å; L253-I379 HydrophobicContact CD2-CD1 4.06Å; I306-I379 HydrophobicContact CD1-CD1 3.86Å; I338-I379 HydrophobicContact CD1-CD1 4.13Å; I338-I379 HydrophobicContact CG1-CD1 3.96Å; I338-I379 HydrophobicContact CG2-CD1 4.15Å; T342-I379 HydrophobicContact CG2-CG2 4.18Å; A361-I379 HydrophobicContact CB-CG2 3.59Å; V364-I379 HydrophobicContact CG1-CG1 4.21Å; V364-I379 HydrophobicContact CG2-CB 4.38Å; V364-I379 HydrophobicContact CG2-CG1 4.1Å; V364-I379 HydrophobicContact CG2-CG2 4.06Å; L377-I379 HydrophobicContact CD2-CD1 3.87Å; L377-I379 HydrophobicContact CD2-CG1 3.55Å
380E89.9Confident82.3Confident37 Ų3760 Ų6017%0.17332%0.318CS..EExtended strand (participates in β ladder)trans-120.2160.3-175.5-63174.915400110.9V230 G362 L363 R365 V378V230-E380 HydrophobicContact CG1-CG 3.96Å; G362-E380 PolarHBondContact N-O 3.35Å; L363-E380 PolarHBondContact N-O 3.47Å; L363-E380 VanDerWaalsContact N-O 3.11Å; L363-E380 PolarHBondContact O-N 2.9Å; R365-E380 IonicContact CZ-OE1 2.77Å; R365-E380 IonicContact CZ-OE2 2.84Å; R365-E380 IonicContact NE-OE1 3.96Å; R365-E380 IonicContact NE-OE2 3.56Å; R365-E380 PolarHBondContact NE-OE2 3.17Å; R365-E380 IonicContact NH2-OE1 2.8Å; R365-E380 PolarHBondContact NH2-OE1 3.34Å; R365-E380 IonicContact NH2-OE2 3.92Å; V378-E380 HydrophobicContact CG1-CG 3.61Å
381K86.8Confident83.4Confident155 Ų15556.5 Ų56.567%0.67428%0.281SS*.EExtended strand (participates in β ladder)trans59.648.2176.6-54.9177.5-179177.80112.6G362G362-K381 PolarHBondContact N-O 2.72Å
382C83.4Confident84.9Confident18 Ų1849.3 Ų49.312%0.12224%0.237CC..EExtended strand (participates in β ladder)trans-76.5156.8175.8-48.60000111.7A341 N384A341-C382 HydrophobicContact CB-CB 4.31Å; A341-C382 WeakPolarHBondContact O-CB 3.47Å; C382-N384 VanDerWaalsContact C-N 3.29Å; C382-N384 PolarHBondContact O-N 3.3Å
383E74.3Confident86.1Confident133 Ų13346.5 Ų46.562%0.62122%0.218SC*.SBendtrans-63.4-36.1179.3-169.9167.2-174.900111.6K360K360-E383 WeakPolarHBondContact CD-OE2 3.43Å; K360-E383 IonicContact NZ-OE1 3.76Å; K360-E383 PolarHBondContact NZ-OE1 2.96Å; K360-E383 IonicContact NZ-OE2 2.73Å; K360-E383 PolarHBondContact NZ-OE2 3.27Å
384N75.3Confident87.1Confident53 Ų5336.7 Ų36.728%0.28318%0.175SC..  trans-107.2101.7175.5-17317.5000110.2I340 A341 C382 K386I340-N384 WeakPolarHBondContact O-CB 3.48Å; I340-N384 PolarHBondContact O-ND2 2.89Å; A341-N384 WeakPolarHBondContact O-CB 3.36Å; A341-N384 PolarHBondContact O-N 2.86Å; A341-N384 VanDerWaalsContact O-O 3.08Å; C382-N384 VanDerWaalsContact C-N 3.29Å; C382-N384 PolarHBondContact O-N 3.3Å; N384-K386 PolarHBondContact O-N 2.7Å; N384-K386 VanDerWaalsContact O-N 3.12Å; N384-K386 WeakPolarHBondContact OD1-CB 3.42Å; N384-K386 VanDerWaalsContact OD1-CG 3.24Å; N384-K386 WeakPolarHBondContact OD1-CG 3.23Å
385S71.4Confident87.8Confident72 Ų7236.3 Ų36.350%0.50318%0.183SC..THydrogen-bonded Turntrans-76.610-178.565.10000114.5A387S385-A387 VanDerWaalsContact C-N 3.3Å; S385-A387 PolarHBondContact O-N 3.06Å
386K82.1Confident88Confident105 Ų10534.6 Ų34.646%0.45718%0.183SC..THydrogen-bonded Turntrans-75.6-13.9-176.9-71.7-174.9177.8-163.90114.3V201 N384V201-K386 WeakPolarHBondContact CG2-O 3.28Å; N384-K386 PolarHBondContact O-N 2.7Å; N384-K386 VanDerWaalsContact O-N 3.12Å; N384-K386 WeakPolarHBondContact OD1-CB 3.42Å; N384-K386 VanDerWaalsContact OD1-CG 3.24Å; N384-K386 WeakPolarHBondContact OD1-CG 3.23Å
387A87.7Confident88.1Confident2 Ų242.6 Ų42.62%0.01721%0.213CC..  trans-102.1124.8173.200000109.3L213 G232 A341 S385L213-A387 WeakPolarHBondContact O-CA 3.33Å; G232-A387 PolarHBondContact N-O 2.9Å; A341-A387 HydrophobicContact CB-CB 3.78Å; S385-A387 VanDerWaalsContact C-N 3.3Å; S385-A387 PolarHBondContact O-N 3.06Å
388V92.4Very high88Confident1 Ų146.3 Ų46.31%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-127.5148.1-178.7-63.50000109.9A197 V201 L213 I214 K215 L229 G232A197-V388 HydrophobicContact CB-CG2 4.02Å; V201-V388 HydrophobicContact CG2-CG2 3.79Å; L213-V388 PolarHBondContact O-N 3.23Å; I214-V388 WeakPolarHBondContact CA-O 3.15Å; I214-V388 HydrophobicContact CB-CG2 4.28Å; I214-V388 HydrophobicContact CG1-CG2 3.84Å; I214-V388 HydrophobicContact CG2-CG2 4.15Å; K215-V388 PolarHBondContact N-O 2.84Å; L229-V388 HydrophobicContact CD1-CB 4.15Å; L229-V388 HydrophobicContact CD1-CG2 4.46Å; G232-V388 CarbonylContact O-C 3.49Å
389T93.3Very high87.9Confident1 Ų148.4 Ų48.41%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-121.2117.8174.8-55.40000110K215 E217 V230 G232 V233 I234K215-T389 HydrophobicContact CB-CG2 4.01Å; K215-T389 HydrophobicContact CD-CG2 4.26Å; K215-T389 HydrophobicContact CG-CG2 4.35Å; K215-T389 CarbonylContact O-C 3.41Å; K215-T389 WeakPolarHBondContact O-CA 3.27Å; E217-T389 HydrophobicContact CB-CG2 4.19Å; E217-T389 HydrophobicContact CG-CG2 4.27Å; V230-T389 PolarHBondContact N-O 2.96Å; V230-T389 PolarHBondContact O-N 3.21Å; G232-T389 PolarHBondContact O-N 3.08Å; G232-T389 VanDerWaalsContact O-N 3.14Å; G232-T389 PolarHBondContact O-OG1 3.18Å; V233-T389 WeakPolarHBondContact CA-OG1 3.47Å; I234-T389 HydrophobicContact CB-CG2 3.87Å; I234-T389 HydrophobicContact CD1-CG2 3.75Å; I234-T389 HydrophobicContact CG1-CG2 3.7Å; I234-T389 PolarHBondContact N-OG1 3.26Å
390C94.3Very high87.9Confident0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-80.9115.9168.4-620000108.5M193 K215 V216 E217 L407M193-C390 HydrophobicContact SD-CB 4.14Å; K215-C390 PolarHBondContact O-N 2.98Å; V216-C390 HydrophobicContact CG2-CB 4.33Å; E217-C390 PolarHBondContact N-O 3.12Å; E217-C390 VanDerWaalsContact O-O 3.14Å; C390-L407 HydrophobicContact CB-CD2 3.44Å; C390-L407 VanDerWaalsContact CB-CD2 3.44Å
391F93.9Very high88Confident1 Ų149 Ų490%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-103.2114.6179.1-176.9-128000111.2E217 K219 S227 L228 I234 F369 M376 R393E217-F391 HydrophobicContact CB-CD2 4.38Å; E217-F391 CarbonylContact O-C 3.32Å; E217-F391 WeakPolarHBondContact O-CA 3.39Å; K219-F391 HydrophobicContact CB-CE2 3.95Å; K219-F391 HydrophobicContact CB-CZ 4.08Å; K219-F391 HydrophobicContact CG-CE2 4.13Å; K219-F391 HydrophobicContact CG-CZ 4.47Å; S227-F391 CarbonylContact C-O 3.51Å; S227-F391 WeakPolarHBondContact CA-O 3.37Å; S227-F391 VanDerWaalsContact CB-O 3.3Å; S227-F391 WeakPolarHBondContact CB-O 3.32Å; L228-F391 HydrophobicContact CD2-CD1 4.25Å; L228-F391 HydrophobicContact CG-CB 4.34Å; L228-F391 HydrophobicContact CG-CD1 4.19Å; L228-F391 PolarHBondContact N-O 2.87Å; L228-F391 WeakPolarHBondContact O-CB 3.3Å; L228-F391 PolarHBondContact O-N 2.97Å; I234-F391 HydrophobicContact CD1-CB 3.51Å; I234-F391 HydrophobicContact CD1-CD2 4Å; I234-F391 HydrophobicContact CD1-CG 3.76Å; F369-F391 HydrophobicContact CD1-CE1 4.43Å; F369-F391 HydrophobicContact CD2-CZ 4.5Å; F369-F391 AromaticContact CE1-CE1 3.52Å; F369-F391 HydrophobicContact CE1-CE1 3.52Å; F369-F391 AromaticContact CE1-CZ 3.92Å; F369-F391 HydrophobicContact CE1-CZ 3.92Å; F369-F391 HydrophobicContact CE2-CE1 4.23Å; F369-F391 AromaticContact CE2-CZ 3.87Å; F369-F391 HydrophobicContact CE2-CZ 3.87Å; F369-F391 HydrophobicContact CZ-CD1 4.4Å; F369-F391 AromaticContact CZ-CE1 3.36Å; F369-F391 HydrophobicContact CZ-CE1 3.36Å; F369-F391 AromaticContact CZ-CZ 3.47Å; F369-F391 HydrophobicContact CZ-CZ 3.47Å; F369-F391 VanDerWaalsContact CZ-CZ 3.47Å; M376-F391 HydrophobicContact CE-CD2 3.85Å; M376-F391 HydrophobicContact CE-CE1 4.2Å; M376-F391 HydrophobicContact CE-CE2 3.08Å; M376-F391 HydrophobicContact CE-CZ 3.25Å; M376-F391 HydrophobicContact SD-CE2 4.4Å; F391-R393 HydrophobicContact CD1-CG 4.34Å; F391-R393 VanDerWaalsContact CE1-CD 3.43Å; F391-R393 HydrophobicContact CE1-CG 3.84Å; F391-R393 HydrophobicContact CZ-CG 4.18Å
392I93.7Very high88.2Confident0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-104.4131.5-174.7-56.2-176.4000110.5F190 V216 E217 G218 K219 A403 K404 L407F190-I392 HydrophobicContact CE1-CD1 4.33Å; F190-I392 HydrophobicContact CE1-CG1 4.46Å; F190-I392 HydrophobicContact CE1-CG2 4.46Å; F190-I392 HydrophobicContact CZ-CG2 4.49Å; V216-I392 HydrophobicContact CG1-CD1 3.74Å; V216-I392 HydrophobicContact CG1-CG1 4.39Å; E217-I392 PolarHBondContact O-N 2.91Å; G218-I392 WeakPolarHBondContact CA-O 3.47Å; K219-I392 PolarHBondContact N-O 3.44Å; I392-A403 HydrophobicContact CG2-CB 3.63Å; I392-K404 HydrophobicContact CD1-CB 4.24Å; I392-K404 HydrophobicContact CD1-CG 3.8Å; I392-L407 HydrophobicContact CD1-CB 4.09Å; I392-L407 HydrophobicContact CD1-CD2 3.73Å; I392-L407 HydrophobicContact CG1-CD2 4.25Å
393R91.1Very high88.7Confident19 Ų1941 Ų417%0.07221%0.21CC..EExtended strand (participates in β ladder)trans-114.8154.4175-65.4-58.1-62.6-89.710.3110.3K219 G221 R223 L224 D226 S227 F391K219-R393 PolarHBondContact O-NE 3.48Å; G221-R393 VanDerWaalsContact O-CZ 3.26Å; G221-R393 PolarHBondContact O-NE 3.32Å; G221-R393 PolarHBondContact O-NH2 3.47Å; G221-R393 VanDerWaalsContact O-NH2 3.14Å; R223-R393 WeakPolarHBondContact O-CB 3.47Å; L224-R393 WeakPolarHBondContact CA-O 3.3Å; L224-R393 WeakPolarHBondContact CD2-O 3.25Å; D226-R393 HydrophobicContact CB-CB 4.12Å; D226-R393 HydrophobicContact CB-CG 4.15Å; S227-R393 PolarHBondContact OG-N 3.14Å; F391-R393 HydrophobicContact CD1-CG 4.34Å; F391-R393 VanDerWaalsContact CE1-CD 3.43Å; F391-R393 HydrophobicContact CE1-CG 3.84Å; F391-R393 HydrophobicContact CZ-CG 4.18Å
394G90.6Very high89.6Confident0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-172.7152.7-179.700000111.3G221 S396G221-G394 CarbonylContact C-O 3.23Å; G221-G394 WeakPolarHBondContact CA-O 3.16Å; G221-G394 PolarHBondContact N-O 3.12Å; G221-G394 PolarHBondContact O-N 2.72Å; G394-S396 VanDerWaalsContact C-N 3.3Å; G394-S396 PolarHBondContact O-N 2.8Å
395S90.4Very high90.3Very high85 Ų8537.4 Ų37.459%0.59419%0.188SC*.SBendtrans-68-29.8-174.852.60000113.4G222 I399G222-S395 PolarHBondContact O-N 3.27Å; S395-I399 VanDerWaalsContact OG-CD1 3.29Å; S395-I399 WeakPolarHBondContact OG-CD1 3.12Å
396S90.4Very high91.3Very high43 Ų4334 Ų3430%0.30116%0.164SC..SBendtrans-132.8158.1178.472.90000111G394 M398 I399 V400G394-S396 VanDerWaalsContact C-N 3.3Å; G394-S396 PolarHBondContact O-N 2.8Å; S396-M398 VanDerWaalsContact C-N 3.26Å; S396-M398 PolarHBondContact O-N 3.46Å; S396-I399 PolarHBondContact O-N 3.06Å; S396-I399 WeakPolarHBondContact OG-CG1 3.18Å; S396-I399 PolarHBondContact OG-N 3.03Å; S396-V400 WeakPolarHBondContact O-CG2 3.48Å; S396-V400 PolarHBondContact O-N 3.21Å; S396-V400 VanDerWaalsContact O-N 3.08Å
397R90.6Very high91.9Very high169 Ų16929 Ų2964%0.63814%0.143SC*.Hα-helixtrans-56.4-40.3175.3-175.9176.5177.2-175.90.9112.2V220 I399 V400 D401V220-R397 HydrophobicContact CG2-CB 4Å; R397-I399 VanDerWaalsContact C-N 3.33Å; R397-I399 PolarHBondContact O-N 3.41Å; R397-V400 PolarHBondContact O-N 3.07Å; R397-D401 WeakPolarHBondContact CG-OD2 3.35Å; R397-D401 IonicContact NE-OD2 2.6Å; R397-D401 WeakPolarHBondContact O-CB 3.39Å; R397-D401 VanDerWaalsContact O-CG 3.3Å; R397-D401 PolarHBondContact O-N 2.65Å
398M90.7Very high92.1Very high79 Ų7932.3 Ų32.339%0.38916%0.158SC..Hα-helixtrans-58.5-44.3178.2-60.1174.9-171.900112V73 V75 S396 E402V73-M398 HydrophobicContact CB-CE 3.57Å; V73-M398 HydrophobicContact CG1-CE 3.59Å; V73-M398 HydrophobicContact CG1-SD 4.28Å; V75-M398 HydrophobicContact CG2-SD 4.19Å; S396-M398 VanDerWaalsContact C-N 3.26Å; S396-M398 PolarHBondContact O-N 3.46Å; M398-E402 WeakPolarHBondContact O-CB 3.38Å; M398-E402 PolarHBondContact O-N 3.25Å
399I92Very high92.1Very high43 Ų4332.6 Ų32.622%0.22116%0.159CC..Hα-helixtrans-68.7-39.9178.8-69166.9000110.8L224 S395 S396 R397 A403L224-I399 HydrophobicContact CD1-CG2 3.96Å; L224-I399 HydrophobicContact CD2-CG2 3.49Å; L224-I399 VanDerWaalsContact CD2-CG2 3.49Å; L224-I399 HydrophobicContact CG-CG2 3.84Å; S395-I399 VanDerWaalsContact OG-CD1 3.29Å; S395-I399 WeakPolarHBondContact OG-CD1 3.12Å; S396-I399 PolarHBondContact O-N 3.06Å; S396-I399 WeakPolarHBondContact OG-CG1 3.18Å; S396-I399 PolarHBondContact OG-N 3.03Å; R397-I399 VanDerWaalsContact C-N 3.33Å; R397-I399 PolarHBondContact O-N 3.41Å; I399-A403 WeakPolarHBondContact O-CB 3.35Å; I399-A403 PolarHBondContact O-N 2.97Å
400V92.7Very high92.1Very high3 Ų332.5 Ų32.52%0.01816%0.159CC..Hα-helixtrans-63.8-48177.2173.90000110.7S396 R397 E402 A403 K404S396-V400 WeakPolarHBondContact O-CG2 3.48Å; S396-V400 PolarHBondContact O-N 3.21Å; S396-V400 VanDerWaalsContact O-N 3.08Å; R397-V400 PolarHBondContact O-N 3.07Å; V400-E402 VanDerWaalsContact C-N 3.32Å; V400-E402 PolarHBondContact O-N 2.74Å; V400-A403 PolarHBondContact O-N 2.87Å; V400-K404 WeakPolarHBondContact O-CG 3.45Å; V400-K404 PolarHBondContact O-N 2.79Å
401D91.9Very high92.2Very high48 Ų4832.6 Ų32.626%0.25716%0.159SC..Hα-helixtrans-64.1-38.9-179.2-68.7-16.8000111R397 K404 R405R397-D401 WeakPolarHBondContact CG-OD2 3.35Å; R397-D401 IonicContact NE-OD2 2.6Å; R397-D401 WeakPolarHBondContact O-CB 3.39Å; R397-D401 VanDerWaalsContact O-CG 3.3Å; R397-D401 PolarHBondContact O-N 2.65Å; D401-K404 PolarHBondContact O-N 3.14Å; D401-R405 WeakPolarHBondContact O-CG 3.48Å; D401-R405 PolarHBondContact O-N 2.9Å
402E90.7Very high92.2Very high1 Ų132.7 Ų32.71%0.00516%0.16CC..Hα-helixtrans-72.5-36175.9-170.662.9-177.900113.2T76 N77 I182 M398 V400 K404 R405 S406T76-E402 WeakPolarHBondContact CA-OE2 3.47Å; T76-E402 WeakPolarHBondContact CB-OE2 3.36Å; T76-E402 VanDerWaalsContact OG1-CD 3.24Å; T76-E402 PolarHBondContact OG1-OE1 3.14Å; T76-E402 VanDerWaalsContact OG1-OE1 3.06Å; T76-E402 PolarHBondContact OG1-OE2 3.28Å; N77-E402 PolarHBondContact N-OE1 3.43Å; N77-E402 VanDerWaalsContact N-OE1 3.15Å; I182-E402 HydrophobicContact CB-CG 4.38Å; I182-E402 HydrophobicContact CD1-CB 4.07Å; I182-E402 HydrophobicContact CD1-CG 3.68Å; I182-E402 HydrophobicContact CG1-CG 3.99Å; M398-E402 WeakPolarHBondContact O-CB 3.38Å; M398-E402 PolarHBondContact O-N 3.25Å; V400-E402 VanDerWaalsContact C-N 3.32Å; V400-E402 PolarHBondContact O-N 2.74Å; E402-K404 VanDerWaalsContact C-N 3.33Å; E402-R405 PolarHBondContact O-N 2.74Å; E402-R405 IonicContact OE2-CZ 3.57Å; E402-R405 IonicContact OE2-NH1 3.46Å; E402-R405 PolarHBondContact OE2-NH1 2.97Å; E402-S406 WeakPolarHBondContact O-CB 3.29Å; E402-S406 PolarHBondContact O-N 3.33Å; E402-S406 PolarHBondContact O-OG 2.66Å
403A93.2Very high92.1Very high2 Ų232.7 Ų32.72%0.01716%0.16CC..Hα-helixtrans-66.5-35.5173.900000111.7V183 F190 L224 I392 I399 V400 L407V183-A403 HydrophobicContact CG2-CB 4.19Å; F190-A403 HydrophobicContact CE1-CB 4.3Å; F190-A403 HydrophobicContact CZ-CB 4.36Å; L224-A403 HydrophobicContact CD2-CB 3.87Å; I392-A403 HydrophobicContact CG2-CB 3.63Å; I399-A403 WeakPolarHBondContact O-CB 3.35Å; I399-A403 PolarHBondContact O-N 2.97Å; V400-A403 PolarHBondContact O-N 2.87Å; A403-L407 WeakPolarHBondContact O-CB 3.24Å; A403-L407 PolarHBondContact O-N 3.12Å
404K93.3Very high92.3Very high55 Ų5531.8 Ų31.824%0.23916%0.157CC..Hα-helixtrans-59.3-49.2171.2-75-177.5-179.8-172.70111.7V216 I392 V400 D401 E402 L407 H408V216-K404 HydrophobicContact CG1-CB 4.29Å; V216-K404 HydrophobicContact CG1-CG 3.94Å; I392-K404 HydrophobicContact CD1-CB 4.24Å; I392-K404 HydrophobicContact CD1-CG 3.8Å; V400-K404 WeakPolarHBondContact O-CG 3.45Å; V400-K404 PolarHBondContact O-N 2.79Å; D401-K404 PolarHBondContact O-N 3.14Å; E402-K404 VanDerWaalsContact C-N 3.33Å; K404-L407 PolarHBondContact O-N 3.38Å; K404-H408 PolarHBondContact O-N 2.86Å
405R90.8Very high92.4Very high57 Ų5732.7 Ų32.722%0.21516%0.16CC..Hα-helixtrans-61.3-49.6176.8-67.4-176.5-163.1105.49.8111.6T81 D401 E402 L407 H408 D409T81-R405 WeakPolarHBondContact OG1-CD 3.38Å; T81-R405 PolarHBondContact OG1-NE 3.43Å; D401-R405 WeakPolarHBondContact O-CG 3.48Å; D401-R405 PolarHBondContact O-N 2.9Å; E402-R405 PolarHBondContact O-N 2.74Å; E402-R405 IonicContact OE2-CZ 3.57Å; E402-R405 IonicContact OE2-NH1 3.46Å; E402-R405 PolarHBondContact OE2-NH1 2.97Å; R405-L407 VanDerWaalsContact C-N 3.25Å; R405-L407 PolarHBondContact O-N 3.5Å; R405-H408 WeakPolarHBondContact O-CA 3.13Å; R405-H408 VanDerWaalsContact O-CB 3.3Å; R405-H408 WeakPolarHBondContact O-CB 3.42Å; R405-H408 PolarHBondContact O-N 2.82Å; R405-D409 VanDerWaalsContact O-CG 3.23Å; R405-D409 PolarHBondContact O-N 2.87Å
406S92.2Very high92.5Very high0 Ų028.9 Ų28.90%013%0.133CC..Hα-helixtrans-57.1-40.2179.3-58.70000112.5L178 K181 V183 E402 A410L178-S406 WeakPolarHBondContact CD2-O 3.24Å; K181-S406 WeakPolarHBondContact CB-OG 3.44Å; K181-S406 WeakPolarHBondContact CD-OG 3.39Å; V183-S406 VanDerWaalsContact CG2-CB 3.42Å; V183-S406 WeakPolarHBondContact CG2-OG 3.37Å; E402-S406 WeakPolarHBondContact O-CB 3.29Å; E402-S406 PolarHBondContact O-N 3.33Å; E402-S406 PolarHBondContact O-OG 2.66Å; S406-A410 PolarHBondContact O-N 3.24Å
407L93.6Very high92.5Very high0 Ų027 Ų270%012%0.119CC..Hα-helixtrans-67.5-41.6175-176.867.1000111.6F190 M193 A194 V216 C390 I392 A403 K404 R405 D409 A410 L411F190-L407 HydrophobicContact CD1-CB 4.34Å; F190-L407 HydrophobicContact CD1-CD1 4.14Å; M193-L407 HydrophobicContact CG-CD1 4.42Å; M193-L407 HydrophobicContact SD-CD1 4.39Å; M193-L407 HydrophobicContact SD-CD2 4.1Å; A194-L407 HydrophobicContact CB-CD1 3.91Å; V216-L407 HydrophobicContact CG1-CD2 4.21Å; V216-L407 HydrophobicContact CG2-CD2 4.45Å; C390-L407 HydrophobicContact CB-CD2 3.44Å; C390-L407 VanDerWaalsContact CB-CD2 3.44Å; I392-L407 HydrophobicContact CD1-CB 4.09Å; I392-L407 HydrophobicContact CD1-CD2 3.73Å; I392-L407 HydrophobicContact CG1-CD2 4.25Å; A403-L407 WeakPolarHBondContact O-CB 3.24Å; A403-L407 PolarHBondContact O-N 3.12Å; K404-L407 PolarHBondContact O-N 3.38Å; R405-L407 VanDerWaalsContact C-N 3.25Å; R405-L407 PolarHBondContact O-N 3.5Å; L407-D409 VanDerWaalsContact C-N 3.3Å; L407-D409 PolarHBondContact O-N 2.88Å; L407-A410 PolarHBondContact O-N 3.45Å; L407-L411 HydrophobicContact CG-CD1 4.19Å; L407-L411 HydrophobicContact CG-CG 4.35Å; L407-L411 VanDerWaalsContact O-CG 3.25Å; L407-L411 WeakPolarHBondContact O-CG 3.38Å; L407-L411 PolarHBondContact O-N 3.22Å
408H92.8Very high92.5Very high71 Ų7119 Ų1933%0.3299%0.089SC..Hα-helixtrans-55.6-46.5175.4-177.467.5000111.5K404 R405 A410 L411 C412K404-H408 PolarHBondContact O-N 2.86Å; R405-H408 WeakPolarHBondContact O-CA 3.13Å; R405-H408 VanDerWaalsContact O-CB 3.3Å; R405-H408 WeakPolarHBondContact O-CB 3.42Å; R405-H408 PolarHBondContact O-N 2.82Å; H408-A410 VanDerWaalsContact C-N 3.32Å; H408-A410 PolarHBondContact O-N 3.47Å; H408-L411 WeakPolarHBondContact O-CB 3.44Å; H408-L411 PolarHBondContact O-N 3.42Å; H408-L411 VanDerWaalsContact O-N 3.11Å; H408-C412 PolarHBondContact O-N 3.44Å; H408-C412 PolarHBondContact O-SG 3.01Å; H408-C412 VanDerWaalsContact O-SG 3.36Å
409D92.6Very high92.4Very high7 Ų720.6 Ų20.64%0.0379%0.091CC..Hα-helixtrans-64.7-39.3-179.5-53.4-16.7000111.4G108 T177 K181 R405 L407 C412 V413G108-D409 WeakPolarHBondContact O-CA 3.48Å; G108-D409 WeakPolarHBondContact O-CB 3.47Å; T177-D409 HydrophobicContact CG2-CB 4.09Å; K181-D409 VanDerWaalsContact NZ-CG 3.25Å; K181-D409 IonicContact NZ-OD2 3.33Å; K181-D409 PolarHBondContact NZ-OD2 2.8Å; R405-D409 VanDerWaalsContact O-CG 3.23Å; R405-D409 PolarHBondContact O-N 2.87Å; L407-D409 VanDerWaalsContact C-N 3.3Å; L407-D409 PolarHBondContact O-N 2.88Å; D409-C412 PolarHBondContact O-N 3.05Å; D409-V413 WeakPolarHBondContact O-CG2 3.27Å; D409-V413 PolarHBondContact O-N 2.74Å
410A93.4Very high92.3Very high0 Ų020.1 Ų20.10%09%0.089CC..Hα-helixtrans-63.9-41.5173.200000112.1A174 L178 A194 S406 L407 H408 C412 V413 V414A174-A410 HydrophobicContact CB-CB 4.47Å; L178-A410 HydrophobicContact CD1-CB 4.1Å; L178-A410 HydrophobicContact CD2-CB 4.02Å; L178-A410 HydrophobicContact CG-CB 4Å; A194-A410 HydrophobicContact CB-CB 3.9Å; S406-A410 PolarHBondContact O-N 3.24Å; L407-A410 PolarHBondContact O-N 3.45Å; H408-A410 VanDerWaalsContact C-N 3.32Å; H408-A410 PolarHBondContact O-N 3.47Å; A410-C412 VanDerWaalsContact C-N 3.33Å; A410-C412 PolarHBondContact O-N 2.86Å; A410-V413 PolarHBondContact O-N 3.47Å; A410-V414 VanDerWaalsContact O-CG2 3.3Å; A410-V414 WeakPolarHBondContact O-CG2 3.22Å; A410-V414 PolarHBondContact O-N 2.8Å
411L94.8Very high92.1Very high2 Ų220.8 Ų20.81%0.019%0.094CC..Hα-helixtrans-60.9-42.9174.8-69.7169.4000111.1A194 A197 V198 F211 I214 V216 L407 H408 V414 R415A194-L411 HydrophobicContact CB-CD2 3.96Å; A194-L411 HydrophobicContact CB-CG 4.28Å; A194-L411 WeakPolarHBondContact O-CD2 3.44Å; A197-L411 HydrophobicContact CB-CD2 3.9Å; V198-L411 HydrophobicContact CG2-CB 4.41Å; V198-L411 HydrophobicContact CG2-CD2 3.67Å; F211-L411 HydrophobicContact CE1-CB 3.84Å; F211-L411 HydrophobicContact CZ-CB 4.35Å; I214-L411 HydrophobicContact CD1-CD2 4.28Å; I214-L411 HydrophobicContact CG2-CD1 3.99Å; I214-L411 HydrophobicContact CG2-CD2 4.45Å; V216-L411 HydrophobicContact CG2-CD1 4.15Å; L407-L411 HydrophobicContact CG-CD1 4.19Å; L407-L411 HydrophobicContact CG-CG 4.35Å; L407-L411 VanDerWaalsContact O-CG 3.25Å; L407-L411 WeakPolarHBondContact O-CG 3.38Å; L407-L411 PolarHBondContact O-N 3.22Å; H408-L411 WeakPolarHBondContact O-CB 3.44Å; H408-L411 PolarHBondContact O-N 3.42Å; H408-L411 VanDerWaalsContact O-N 3.11Å; L411-V414 PolarHBondContact O-N 2.76Å; L411-R415 WeakPolarHBondContact O-CB 3.17Å; L411-R415 PolarHBondContact O-N 3.28Å
412C93.8Very high92.1Very high2 Ų222.1 Ų22.11%0.01410%0.095CC..Hα-helixtrans-62.1-43.5176.3-73.50000112.7I107 F211 H408 D409 A410 R415 N416I107-C412 WeakPolarHBondContact O-CB 3.48Å; F211-C412 HydrophobicContact CZ-CB 4.48Å; H408-C412 PolarHBondContact O-N 3.44Å; H408-C412 PolarHBondContact O-SG 3.01Å; H408-C412 VanDerWaalsContact O-SG 3.36Å; D409-C412 PolarHBondContact O-N 3.05Å; A410-C412 VanDerWaalsContact C-N 3.33Å; A410-C412 PolarHBondContact O-N 2.86Å; C412-R415 WeakPolarHBondContact O-CB 3.18Å; C412-R415 PolarHBondContact O-N 3.14Å; C412-N416 PolarHBondContact O-N 3.2Å; C412-N416 PolarHBondContact O-ND2 3.45Å; C412-N416 PolarHBondContact O-OD1 3.38Å
413V93.4Very high92.2Very high1 Ų122 Ų221%0.00610%0.095CC..Hα-helixtrans-64.5-42.3175.9168.80000111.9D109 T173 T177 D409 A410 N416 L417 T514D109-V413 HydrophobicContact CB-CG2 3.67Å; T173-V413 HydrophobicContact CG2-CG1 3.82Å; T177-V413 HydrophobicContact CG2-CG2 4.06Å; T177-V413 WeakPolarHBondContact OG1-CG2 3.49Å; D409-V413 WeakPolarHBondContact O-CG2 3.27Å; D409-V413 PolarHBondContact O-N 2.74Å; A410-V413 PolarHBondContact O-N 3.47Å; V413-N416 WeakPolarHBondContact O-CB 3.44Å; V413-N416 PolarHBondContact O-N 3.34Å; V413-L417 PolarHBondContact O-N 2.83Å; V413-L417 VanDerWaalsContact O-N 3.09Å; V413-T514 HydrophobicContact CG1-CG2 4.03Å
414V93.4Very high92.2Very high0 Ų022.1 Ų22.10%010%0.095CC..Hα-helixtrans-65.9-40.3176179.90000111L170 A174 V195 V198 A410 L411 N416 L417 V418L170-V414 HydrophobicContact CD1-CG1 4.42Å; A174-V414 HydrophobicContact CB-CG2 4.04Å; V195-V414 HydrophobicContact CG2-CG1 4.37Å; V195-V414 HydrophobicContact CG2-CG2 3.74Å; V198-V414 HydrophobicContact CB-CB 4.36Å; V198-V414 HydrophobicContact CB-CG1 3.74Å; V198-V414 HydrophobicContact CG1-CB 4.48Å; V198-V414 HydrophobicContact CG1-CG1 3.73Å; V198-V414 HydrophobicContact CG2-CB 4.13Å; V198-V414 HydrophobicContact CG2-CG1 4.07Å; A410-V414 VanDerWaalsContact O-CG2 3.3Å; A410-V414 WeakPolarHBondContact O-CG2 3.22Å; A410-V414 PolarHBondContact O-N 2.8Å; L411-V414 PolarHBondContact O-N 2.76Å; V414-N416 VanDerWaalsContact C-N 3.29Å; V414-N416 PolarHBondContact O-N 3.39Å; V414-L417 WeakPolarHBondContact O-CB 3.35Å; V414-L417 PolarHBondContact O-N 2.85Å; V414-V418 WeakPolarHBondContact O-CG2 3.47Å; V414-V418 PolarHBondContact O-N 3.46Å; V414-V418 VanDerWaalsContact O-N 3.08Å
415R93.1Very high92.2Very high19 Ų1919.6 Ų19.67%0.0728%0.084CC..Hα-helixtrans-55.8-45.2170.6168.1-161.169.7173.87.5111.3E106 I107 V209 F211 L411 C412 L417 V418 R419E106-R415 PolarHBondContact O-NH2 3.08Å; I107-R415 PolarHBondContact O-NH2 3.2Å; V209-R415 HydrophobicContact CB-CB 4.2Å; V209-R415 HydrophobicContact CB-CG 3.95Å; V209-R415 HydrophobicContact CG2-CB 4.18Å; V209-R415 HydrophobicContact CG2-CG 4.08Å; F211-R415 HydrophobicContact CE1-CB 4.47Å; F211-R415 HydrophobicContact CE2-CB 4.44Å; F211-R415 VanDerWaalsContact CE2-CD 3.46Å; F211-R415 HydrophobicContact CE2-CG 4.49Å; F211-R415 HydrophobicContact CZ-CB 3.75Å; F211-R415 HydrophobicContact CZ-CG 4.25Å; L411-R415 WeakPolarHBondContact O-CB 3.17Å; L411-R415 PolarHBondContact O-N 3.28Å; C412-R415 WeakPolarHBondContact O-CB 3.18Å; C412-R415 PolarHBondContact O-N 3.14Å; R415-L417 VanDerWaalsContact C-N 3.28Å; R415-L417 PolarHBondContact O-N 3.47Å; R415-V418 WeakPolarHBondContact O-CB 3.43Å; R415-V418 PolarHBondContact O-N 3.44Å; R415-V418 VanDerWaalsContact O-N 3.12Å; R415-R419 PolarHBondContact O-N 3.2Å
416N92.2Very high92.3Very high5 Ų516.9 Ų16.93%0.0277%0.074CC..Hα-helixtrans-62-38.5-178.5-61.9-20.1000111.1I107 C412 V413 V414 R419 D420 T514I107-N416 WeakPolarHBondContact CG2-ND2 3.47Å; I107-N416 PolarHBondContact O-ND2 3.39Å; C412-N416 PolarHBondContact O-N 3.2Å; C412-N416 PolarHBondContact O-ND2 3.45Å; C412-N416 PolarHBondContact O-OD1 3.38Å; V413-N416 WeakPolarHBondContact O-CB 3.44Å; V413-N416 PolarHBondContact O-N 3.34Å; V414-N416 VanDerWaalsContact C-N 3.29Å; V414-N416 PolarHBondContact O-N 3.39Å; N416-R419 PolarHBondContact O-N 2.98Å; N416-D420 PolarHBondContact O-N 3.44Å; N416-D420 VanDerWaalsContact O-O 3.14Å; N416-T514 HydrophobicContact CB-CG2 4.14Å
417L91Very high92.3Very high2 Ų217.3 Ų17.31%0.018%0.079CC..Hα-helixtrans-65.7-35.1174-68.3168.4000113.4F162 L170 T173 V413 V414 R415 R419 D420 S421 V423 T514F162-L417 WeakPolarHBondContact CE1-O 3.49Å; L170-L417 HydrophobicContact CD2-CB 3.68Å; L170-L417 HydrophobicContact CD2-CD1 3.56Å; L170-L417 HydrophobicContact CD2-CG 4.23Å; T173-L417 HydrophobicContact CG2-CD1 3.81Å; T173-L417 HydrophobicContact CG2-CD2 4.48Å; V413-L417 PolarHBondContact O-N 2.83Å; V413-L417 VanDerWaalsContact O-N 3.09Å; V414-L417 WeakPolarHBondContact O-CB 3.35Å; V414-L417 PolarHBondContact O-N 2.85Å; R415-L417 VanDerWaalsContact C-N 3.28Å; R415-L417 PolarHBondContact O-N 3.47Å; L417-R419 VanDerWaalsContact C-N 3.35Å; L417-D420 WeakPolarHBondContact CA-O 3.46Å; L417-D420 CarbonylContact O-C 3.45Å; L417-D420 VanDerWaalsContact O-C 3.32Å; L417-S421 WeakPolarHBondContact O-CA 3.14Å; L417-S421 PolarHBondContact O-N 2.99Å; L417-S421 PolarHBondContact O-OG 3.45Å; L417-V423 HydrophobicContact CD2-CG1 3.48Å; L417-V423 VanDerWaalsContact CD2-CG1 3.48Å; L417-T514 HydrophobicContact CD2-CG2 3.72Å; L417-T514 HydrophobicContact CG-CG2 3.79Å
418V90Very high92.3Very high2 Ų217.4 Ų17.41%0.0128%0.079CC..Hα-helixtrans-66.4-39174.9173.50000111F162 V198 A202 L204 V209 V414 R415F162-V418 HydrophobicContact CZ-CG2 4.2Å; V198-V418 HydrophobicContact CG1-CG2 4.16Å; A202-V418 HydrophobicContact CB-CG1 4.42Å; L204-V418 HydrophobicContact CD2-CG1 4.46Å; V209-V418 HydrophobicContact CG2-CB 4.12Å; V209-V418 HydrophobicContact CG2-CG1 3.99Å; V209-V418 HydrophobicContact CG2-CG2 4.38Å; V414-V418 WeakPolarHBondContact O-CG2 3.47Å; V414-V418 PolarHBondContact O-N 3.46Å; V414-V418 VanDerWaalsContact O-N 3.08Å; R415-V418 WeakPolarHBondContact O-CB 3.43Å; R415-V418 PolarHBondContact O-N 3.44Å; R415-V418 VanDerWaalsContact O-N 3.12Å
419R89.6Confident92.4Very high113 Ų11314 Ų1443%0.4266%0.064SC..Hα-helixtrans-70.5-51.6176-74.6178.4173.9-176.6-0.8111.9R207 D208 R415 N416 L417R207-R419 VanDerWaalsContact O-CG 3.23Å; R207-R419 WeakPolarHBondContact O-CG 3.21Å; D208-R419 IonicContact OD1-CZ 2.7Å; D208-R419 IonicContact OD1-NE 2.66Å; D208-R419 IonicContact OD1-NH2 3.23Å; D208-R419 PolarHBondContact OD1-NH2 2.86Å; R415-R419 PolarHBondContact O-N 3.2Å; N416-R419 PolarHBondContact O-N 2.98Å; L417-R419 VanDerWaalsContact C-N 3.35Å
420D89Confident92.5Very high32 Ų3213.8 Ų13.817%0.1716%0.063CC..  trans-134.7111.2179.5-171.8-2.6000110.3N416 L417 R422N416-D420 PolarHBondContact O-N 3.44Å; N416-D420 VanDerWaalsContact O-O 3.14Å; L417-D420 WeakPolarHBondContact CA-O 3.46Å; L417-D420 CarbonylContact O-C 3.45Å; L417-D420 VanDerWaalsContact O-C 3.32Å; D420-R422 PolarHBondContact O-N 3.4Å; D420-R422 VanDerWaalsContact O-N 3.07Å; D420-R422 WeakPolarHBondContact OD1-CG 3.45Å; D420-R422 IonicContact OD1-CZ 3.97Å; D420-R422 PolarHBondContact OD1-N 2.86Å; D420-R422 IonicContact OD1-NE 3.65Å; D420-R422 PolarHBondContact OD1-NE 3.31Å; D420-R422 IonicContact OD1-NH2 3.31Å; D420-R422 IonicContact OD2-CZ 2.71Å; D420-R422 IonicContact OD2-NE 3.59Å; D420-R422 PolarHBondContact OD2-NE 2.82Å; D420-R422 VanDerWaalsContact OD2-NE 3.17Å; D420-R422 IonicContact OD2-NH2 2.61Å; D420-R422 PolarHBondContact OD2-NH2 3.15Å
421S89Confident92.6Very high18 Ų1814.3 Ų14.313%0.1267%0.065CC..  trans-78.311.7-173.7-42.70000113.8F160 L417F160-S421 WeakPolarHBondContact CA-O 3.45Å; F160-S421 VanDerWaalsContact CB-O 3.31Å; F160-S421 WeakPolarHBondContact CB-O 3.49Å; F160-S421 PolarHBondContact N-O 3.23Å; L417-S421 WeakPolarHBondContact O-CA 3.14Å; L417-S421 PolarHBondContact O-N 2.99Å; L417-S421 PolarHBondContact O-OG 3.45Å
422R91.9Very high92.7Very high75 Ų7514.2 Ų14.228%0.2837%0.065SC..EExtended strand (participates in β ladder)trans-86.9130.7-179.6-69.2177.7-69.3176.43111.7V158 D420 L515V158-R422 WeakPolarHBondContact O-CA 3.28Å; D420-R422 PolarHBondContact O-N 3.4Å; D420-R422 VanDerWaalsContact O-N 3.07Å; D420-R422 WeakPolarHBondContact OD1-CG 3.45Å; D420-R422 IonicContact OD1-CZ 3.97Å; D420-R422 PolarHBondContact OD1-N 2.86Å; D420-R422 IonicContact OD1-NE 3.65Å; D420-R422 PolarHBondContact OD1-NE 3.31Å; D420-R422 IonicContact OD1-NH2 3.31Å; D420-R422 IonicContact OD2-CZ 2.71Å; D420-R422 IonicContact OD2-NE 3.59Å; D420-R422 PolarHBondContact OD2-NE 2.82Å; D420-R422 VanDerWaalsContact OD2-NE 3.17Å; D420-R422 IonicContact OD2-NH2 2.61Å; D420-R422 PolarHBondContact OD2-NH2 3.15Å; R422-L515 HydrophobicContact CB-CB 3.99Å; R422-L515 HydrophobicContact CB-CD2 3.85Å; R422-L515 HydrophobicContact CG-CD2 4.47Å; R422-L515 VanDerWaalsContact CZ-CD2 3.43Å; R422-L515 PolarHBondContact O-N 3.11Å; R422-L515 VanDerWaalsContact O-N 3.12Å
423V92.9Very high92.7Very high0 Ų014.6 Ų14.60%07%0.068CC..EExtended strand (participates in β ladder)trans-120.5155.1177.5-59.30000111.3V158 F160 L417 Y507 L512 E513V158-V423 PolarHBondContact N-O 2.93Å; V158-V423 PolarHBondContact O-N 2.61Å; F160-V423 HydrophobicContact CB-CG1 3.94Å; F160-V423 HydrophobicContact CB-CG2 3.82Å; F160-V423 HydrophobicContact CD1-CG1 4.07Å; F160-V423 HydrophobicContact CD1-CG2 4.28Å; F160-V423 HydrophobicContact CD2-CG2 4.15Å; F160-V423 HydrophobicContact CG-CG1 4.25Å; F160-V423 HydrophobicContact CG-CG2 3.88Å; L417-V423 HydrophobicContact CD2-CG1 3.48Å; L417-V423 VanDerWaalsContact CD2-CG1 3.48Å; V423-Y507 PolarHBondContact O-OH 2.98Å; V423-L512 HydrophobicContact CG2-CD1 4.47Å; V423-L512 HydrophobicContact CG2-CD2 4.44Å; V423-E513 CarbonylContact C-O 3.45Å; V423-E513 WeakPolarHBondContact CA-O 3.46Å
424I93.5Very high92.8Very high3 Ų314.6 Ų14.62%0.0157%0.068CC..EExtended strand (participates in β ladder)trans-129.3155.3174.4-57.9166.5000108.9L153 I156 G426 C430 E513 L515L153-I424 HydrophobicContact CB-CD1 4.11Å; L153-I424 HydrophobicContact CD2-CD1 3.78Å; L153-I424 HydrophobicContact CG-CD1 4.5Å; I156-I424 HydrophobicContact CD1-CG2 3.87Å; I156-I424 HydrophobicContact CG1-CG2 4.09Å; I424-G426 PolarHBondContact O-N 3.36Å; I424-C430 HydrophobicContact CG2-CB 3.53Å; I424-E513 PolarHBondContact N-O 2.82Å; I424-E513 PolarHBondContact O-N 2.73Å; I424-L515 HydrophobicContact CD1-CB 4.17Å; I424-L515 HydrophobicContact CD1-CD1 3.36Å; I424-L515 HydrophobicContact CD1-CG 4.36Å; I424-L515 HydrophobicContact CG1-CB 4.45Å; I424-L515 HydrophobicContact CG1-CD1 4.3Å
425A93.5Very high92.9Very high2 Ų214.6 Ų14.62%0.0177%0.068CC..EExtended strand (participates in β ladder)trans-60.2122.2168.100000111.3A429 R493 M506 Y507A425-A429 HydrophobicContact CB-CB 3.96Å; A425-R493 HydrophobicContact CB-CB 4.18Å; A425-R493 HydrophobicContact CB-CG 4.46Å; A425-M506 HydrophobicContact CB-CB 3.86Å; A425-Y507 HydrophobicContact CB-CD2 3.97Å; A425-Y507 HydrophobicContact CB-CE2 3.84Å
426G93.4Very high93.1Very high0 Ų015.7 Ų15.70%08%0.075CC..THydrogen-bonded Turntrans-80-146.2174.100000112.6I424 G428 A429 M506 V511 E513I424-G426 PolarHBondContact O-N 3.36Å; G426-G428 PolarHBondContact O-N 3.25Å; G426-G428 VanDerWaalsContact O-N 3.14Å; G426-A429 VanDerWaalsContact O-CB 3.26Å; G426-A429 WeakPolarHBondContact O-CB 3.46Å; G426-A429 PolarHBondContact O-N 3.25Å; G426-M506 WeakPolarHBondContact O-CG 3.14Å; G426-V511 PolarHBondContact N-O 3.35Å; G426-E513 WeakPolarHBondContact CA-OE1 3.45Å
427G91.9Very high93.2Very high10 Ų1017.2 Ų17.210%0.1039%0.086CC..THydrogen-bonded Turntrans63.223.5172.100000114.6A429 V496G427-A429 VanDerWaalsContact C-N 3.26Å; G427-A429 PolarHBondContact O-N 3.01Å; G427-V496 PolarHBondContact O-N 2.75Å
428G93.3Very high93.4Very high1 Ų117.1 Ų17.11%0.019%0.086CC..THydrogen-bonded Turntrans81-2.3-175.500000114.7G426 E431 I432G426-G428 PolarHBondContact O-N 3.25Å; G426-G428 VanDerWaalsContact O-N 3.14Å; G428-E431 VanDerWaalsContact C-OE2 3.29Å; G428-E431 WeakPolarHBondContact CA-OE2 3.24Å; G428-E431 PolarHBondContact O-N 2.94Å; G428-I432 VanDerWaalsContact O-CG1 3.28Å; G428-I432 WeakPolarHBondContact O-CG1 3.32Å; G428-I432 PolarHBondContact O-N 3Å; G428-I432 VanDerWaalsContact O-N 3.15Å
429A94.9Very high93.6Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-64.5-43.1-176.200000112A425 G426 G427 I432 A433 Q486 L494 M506A425-A429 HydrophobicContact CB-CB 3.96Å; G426-A429 VanDerWaalsContact O-CB 3.26Å; G426-A429 WeakPolarHBondContact O-CB 3.46Å; G426-A429 PolarHBondContact O-N 3.25Å; G427-A429 VanDerWaalsContact C-N 3.26Å; G427-A429 PolarHBondContact O-N 3.01Å; A429-I432 PolarHBondContact O-N 3.47Å; A429-A433 WeakPolarHBondContact O-CB 3.47Å; A429-A433 PolarHBondContact O-N 3.41Å; A429-Q486 PolarHBondContact O-NE2 3.19Å; A429-L494 WeakPolarHBondContact CB-O 3.44Å; A429-M506 HydrophobicContact CB-CG 4.15Å
430C94.9Very high93.8Very high2 Ų215.7 Ų15.71%0.01410%0.099CC..Hα-helixtrans-69.5-35.7-179.676.70000112.6L153 I156 I424 A433 C434 K518L153-C430 HydrophobicContact CD2-CB 4.11Å; I156-C430 HydrophobicContact CD1-CB 4.12Å; I424-C430 HydrophobicContact CG2-CB 3.53Å; C430-A433 PolarHBondContact O-N 3.38Å; C430-C434 WeakPolarHBondContact O-CB 3.36Å; C430-C434 PolarHBondContact O-N 3.33Å; C430-C434 PolarHBondContact O-SG 3.34Å; C430-K518 WeakPolarHBondContact SG-CE 3.02Å
431E95.7Very high94Very high11 Ų1116.5 Ų16.55%0.05110%0.101CC..Hα-helixtrans-66-40.4176.3-6882.5175.400111.2G428 C434 A435 I463 K518G428-E431 VanDerWaalsContact C-OE2 3.29Å; G428-E431 WeakPolarHBondContact CA-OE2 3.24Å; G428-E431 PolarHBondContact O-N 2.94Å; E431-C434 PolarHBondContact O-N 2.92Å; E431-A435 WeakPolarHBondContact O-CB 3.42Å; E431-A435 PolarHBondContact O-N 3.44Å; E431-I463 HydrophobicContact CG-CB 4.03Å; E431-I463 HydrophobicContact CG-CG1 4.28Å; E431-I463 HydrophobicContact CG-CG2 4.11Å; E431-K518 VanDerWaalsContact OE1-CE 3.31Å; E431-K518 WeakPolarHBondContact OE1-CE 3.45Å; E431-K518 IonicContact OE1-NZ 2.79Å; E431-K518 PolarHBondContact OE1-NZ 3.25Å
432I95.8Very high94.3Very high0 Ų015.7 Ų15.70%010%0.095CC..Hα-helixtrans-64.8-45.9174.3-64171000110.7G428 A429 C434 A435 L436 P464 L482 K483 Q486G428-I432 VanDerWaalsContact O-CG1 3.28Å; G428-I432 WeakPolarHBondContact O-CG1 3.32Å; G428-I432 PolarHBondContact O-N 3Å; G428-I432 VanDerWaalsContact O-N 3.15Å; A429-I432 PolarHBondContact O-N 3.47Å; I432-C434 VanDerWaalsContact C-N 3.3Å; I432-C434 PolarHBondContact O-N 3.17Å; I432-A435 WeakPolarHBondContact O-CB 3.17Å; I432-A435 PolarHBondContact O-N 3.14Å; I432-A435 VanDerWaalsContact O-N 3.16Å; I432-L436 HydrophobicContact CG2-CD1 4.2Å; I432-L436 HydrophobicContact CG2-CG 4.46Å; I432-L436 WeakPolarHBondContact O-CG 3.42Å; I432-L436 PolarHBondContact O-N 2.93Å; I432-P464 HydrophobicContact CD1-CB 3.98Å; I432-P464 HydrophobicContact CD1-CG 4.16Å; I432-P464 HydrophobicContact CG1-CB 4.15Å; I432-P464 HydrophobicContact CG1-CG 3.78Å; I432-L482 HydrophobicContact CD1-CB 3.81Å; I432-L482 HydrophobicContact CD1-CD1 3.99Å; I432-K483 HydrophobicContact CG2-CB 4.47Å; I432-K483 HydrophobicContact CG2-CG 3.63Å; I432-Q486 HydrophobicContact CG2-CG 4.35Å
433A95.1Very high94.3Very high11 Ų1117 Ų179%0.09111%0.108CC..Hα-helixtrans-60.2-43.4179.400000111.2I156 A429 C430 L436 S437 Q486 P492I156-A433 HydrophobicContact CD1-CB 4.29Å; A429-A433 WeakPolarHBondContact O-CB 3.47Å; A429-A433 PolarHBondContact O-N 3.41Å; C430-A433 PolarHBondContact O-N 3.38Å; A433-L436 PolarHBondContact O-N 2.86Å; A433-S437 PolarHBondContact O-N 3.44Å; A433-Q486 VanDerWaalsContact CA-OE1 3.28Å; A433-Q486 VanDerWaalsContact N-OE1 3.14Å; A433-P492 HydrophobicContact CB-CB 3.84Å
434C95.6Very high94.3Very high1 Ų124 Ų241%0.00714%0.138CC..Hα-helixtrans-66.3-40.1174.7-71.40000112.7C149 L153 C430 E431 I432 L436 S437 V438 L460C149-C434 WeakPolarHBondContact SG-CB 3.3Å; C149-C434 PolarHBondContact SG-SG 2.77Å; L153-C434 VanDerWaalsContact CD2-SG 3.54Å; C430-C434 WeakPolarHBondContact O-CB 3.36Å; C430-C434 PolarHBondContact O-N 3.33Å; C430-C434 PolarHBondContact O-SG 3.34Å; E431-C434 PolarHBondContact O-N 2.92Å; I432-C434 VanDerWaalsContact C-N 3.3Å; I432-C434 PolarHBondContact O-N 3.17Å; C434-L436 VanDerWaalsContact C-N 3.35Å; C434-L436 PolarHBondContact O-N 3.38Å; C434-S437 PolarHBondContact O-N 3.2Å; C434-V438 WeakPolarHBondContact O-CB 3.17Å; C434-V438 VanDerWaalsContact O-CG2 3.23Å; C434-V438 WeakPolarHBondContact O-CG2 3.34Å; C434-V438 PolarHBondContact O-N 3.22Å; C434-L460 HydrophobicContact CB-CD1 3.77Å
435A95.7Very high94.1Very high0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-60.6-44.9176.500000111.2E431 I432 A439 A457 L460 E461E431-A435 WeakPolarHBondContact O-CB 3.42Å; E431-A435 PolarHBondContact O-N 3.44Å; I432-A435 WeakPolarHBondContact O-CB 3.17Å; I432-A435 PolarHBondContact O-N 3.14Å; I432-A435 VanDerWaalsContact O-N 3.16Å; A435-A439 VanDerWaalsContact O-CB 3.24Å; A435-A439 WeakPolarHBondContact O-CB 3.43Å; A435-A439 PolarHBondContact O-N 2.88Å; A435-A457 HydrophobicContact CB-CB 4.35Å; A435-A457 WeakPolarHBondContact CB-O 3.46Å; A435-A457 WeakPolarHBondContact O-CB 3.42Å; A435-L460 HydrophobicContact CB-CB 4.05Å; A435-L460 HydrophobicContact CB-CD1 4.28Å; A435-E461 HydrophobicContact CB-CG 4.1Å
436L95.2Very high93.8Very high42 Ų4234.7 Ų34.722%0.2219%0.189CC..Hα-helixtrans-62.7-44.6176.6-68.6174000112I432 A433 C434 A439 A440 K483 Q486I432-L436 HydrophobicContact CG2-CD1 4.2Å; I432-L436 HydrophobicContact CG2-CG 4.46Å; I432-L436 WeakPolarHBondContact O-CG 3.42Å; I432-L436 PolarHBondContact O-N 2.93Å; A433-L436 PolarHBondContact O-N 2.86Å; C434-L436 VanDerWaalsContact C-N 3.35Å; C434-L436 PolarHBondContact O-N 3.38Å; L436-A439 PolarHBondContact O-N 2.94Å; L436-A440 WeakPolarHBondContact O-CB 3.46Å; L436-A440 PolarHBondContact O-N 2.89Å; L436-K483 HydrophobicContact CD2-CB 4.43Å; L436-K483 HydrophobicContact CD2-CG 4.4Å; L436-Q486 HydrophobicContact CD1-CB 3.86Å
437S94.7Very high93.4Very high36 Ų3637 Ų3725%0.25221%0.212SC..Hα-helixtrans-65.4-46.4178.9-162.50000112H148 T152 A433 C434 A439 A440 E441H148-S437 PolarHBondContact NE2-O 3.48Å; H148-S437 PolarHBondContact NE2-OG 3.39Å; T152-S437 PolarHBondContact OG1-OG 3.06Å; A433-S437 PolarHBondContact O-N 3.44Å; C434-S437 PolarHBondContact O-N 3.2Å; S437-A439 VanDerWaalsContact C-N 3.33Å; S437-A439 PolarHBondContact O-N 3.04Å; S437-A440 PolarHBondContact O-N 2.85Å; S437-E441 PolarHBondContact O-N 3.38Å
438V95.3Very high93.2Very high0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-63.6-39177.7172.80000111.2A145 C149 C434 E441 A442 M453 F456 A457A145-V438 HydrophobicContact CB-CG1 3.94Å; C149-V438 HydrophobicContact CB-CG2 4.17Å; C434-V438 WeakPolarHBondContact O-CB 3.17Å; C434-V438 VanDerWaalsContact O-CG2 3.23Å; C434-V438 WeakPolarHBondContact O-CG2 3.34Å; C434-V438 PolarHBondContact O-N 3.22Å; V438-E441 PolarHBondContact O-N 3.35Å; V438-A442 WeakPolarHBondContact O-CB 3.49Å; V438-A442 PolarHBondContact O-N 2.89Å; V438-M453 HydrophobicContact CG1-CB 4.3Å; V438-M453 HydrophobicContact CG1-CE 4.18Å; V438-M453 WeakPolarHBondContact CG1-O 3.34Å; V438-F456 HydrophobicContact CG1-CD1 4.16Å; V438-F456 HydrophobicContact CG2-CD1 4.43Å; V438-A457 HydrophobicContact CB-CB 4.34Å; V438-A457 HydrophobicContact CG1-CB 4.19Å
439A94.7Very high93Very high35 Ų3543.9 Ų43.929%0.28925%0.245SC..Hα-helixtrans-64.1-43.5175.900000112A435 L436 S437 E441 A442 D443 A457A435-A439 VanDerWaalsContact O-CB 3.24Å; A435-A439 WeakPolarHBondContact O-CB 3.43Å; A435-A439 PolarHBondContact O-N 2.88Å; L436-A439 PolarHBondContact O-N 2.94Å; S437-A439 VanDerWaalsContact C-N 3.33Å; S437-A439 PolarHBondContact O-N 3.04Å; A439-E441 VanDerWaalsContact C-N 3.3Å; A439-E441 PolarHBondContact O-N 2.66Å; A439-A442 WeakPolarHBondContact O-CB 3.33Å; A439-A442 PolarHBondContact O-N 2.9Å; A439-D443 PolarHBondContact O-N 3.03Å; A439-A457 HydrophobicContact CB-CB 4.24Å
440A94.1Very high92.9Very high51 Ų5145.7 Ų45.742%0.42125%0.253SS..Hα-helixtrans-64.6-34.4176.200000112.5L436 S437L436-A440 WeakPolarHBondContact O-CB 3.46Å; L436-A440 PolarHBondContact O-N 2.89Å; S437-A440 PolarHBondContact O-N 2.85Å
441E93.6Very high92.9Very high49 Ų4950.9 Ų50.923%0.22927%0.273CS..Hα-helixtrans-73.1-35.7174.5-165.661.7-162.500112.1H148 S437 V438 A439 D443 K444 I445 M453H148-E441 IonicContact CE1-OE2 3.64Å; S437-E441 PolarHBondContact O-N 3.38Å; V438-E441 PolarHBondContact O-N 3.35Å; A439-E441 VanDerWaalsContact C-N 3.3Å; A439-E441 PolarHBondContact O-N 2.66Å; E441-D443 PolarHBondContact O-N 3.45Å; E441-K444 PolarHBondContact O-N 3.41Å; E441-K444 WeakPolarHBondContact OE2-CD 3.3Å; E441-K444 WeakPolarHBondContact OE2-CE 3.31Å; E441-K444 IonicContact OE2-NZ 3.7Å; E441-K444 PolarHBondContact OE2-NZ 2.7Å; E441-I445 HydrophobicContact CG-CD1 4.19Å; E441-I445 PolarHBondContact O-N 3.14Å; E441-M453 HydrophobicContact CB-CE 4Å; E441-M453 HydrophobicContact CG-CE 3.98Å
442A93.7Very high92.8Very high0 Ų050.4 Ų50.40%027%0.271CS..Hα-helixtrans-60.8-29.3175.100000112.4V438 A439 K444 Q450 M453 R454V438-A442 WeakPolarHBondContact O-CB 3.49Å; V438-A442 PolarHBondContact O-N 2.89Å; A439-A442 WeakPolarHBondContact O-CB 3.33Å; A439-A442 PolarHBondContact O-N 2.9Å; A442-K444 VanDerWaalsContact C-N 3.31Å; A442-Q450 VanDerWaalsContact O-CG 3.24Å; A442-Q450 WeakPolarHBondContact O-CG 3.4Å; A442-Q450 PolarHBondContact O-NE2 3.22Å; A442-M453 HydrophobicContact CB-CB 3.68Å; A442-R454 HydrophobicContact CB-CG 3.85Å
443D92.9Very high92.8Very high104 Ų10450.5 Ų50.556%0.55627%0.272SS*.Hα-helixtrans-71.5-24.1175.7-70.2-24.1000113.3A439 E441 R454A439-D443 PolarHBondContact O-N 3.03Å; E441-D443 PolarHBondContact O-N 3.45Å; D443-R454 IonicContact OD1-CZ 2.72Å; D443-R454 IonicContact OD1-NE 3.12Å; D443-R454 IonicContact OD1-NH2 3.65Å; D443-R454 PolarHBondContact OD1-NH2 2.69Å
444K92.7Very high92.8Very high145 Ų14554.2 Ų54.263%0.6328%0.283SS*.Hα-helixtrans-84.6-25.4178.4-58177.5-160.4155.70112.9E441 A442E441-K444 PolarHBondContact O-N 3.41Å; E441-K444 WeakPolarHBondContact OE2-CD 3.3Å; E441-K444 WeakPolarHBondContact OE2-CE 3.31Å; E441-K444 IonicContact OE2-NZ 3.7Å; E441-K444 PolarHBondContact OE2-NZ 2.7Å; A442-K444 VanDerWaalsContact C-N 3.31Å
445I89.3Confident92.8Very high41 Ų4154.4 Ų54.421%0.2129%0.285CS..  trans-84.9125.3-176.3-69.6163.3000109.7E441 E449 M453E441-I445 HydrophobicContact CG-CD1 4.19Å; E441-I445 PolarHBondContact O-N 3.14Å; I445-E449 HydrophobicContact CG2-CB 4.39Å; I445-M453 HydrophobicContact CD1-CE 3.84Å; I445-M453 HydrophobicContact CD1-SD 3.21Å; I445-M453 WeakPolarHBondContact CD1-SD 3.48Å; I445-M453 HydrophobicContact CG1-SD 4.5Å
446E86.8Confident92.9Very high189 Ų18954.4 Ų54.488%0.88329%0.285SS*.  trans-86.4135.4172.5-62.1-176.9176.900110.4
447G86.1Confident92.9Very high48 Ų4852.5 Ų52.550%0.49528%0.276SS..SBendtrans118.5-168.4171.300000114.7E449 Q450G447-E449 VanDerWaalsContact C-N 3.27Å; G447-E449 PolarHBondContact O-N 2.98Å; G447-Q450 WeakPolarHBondContact O-CB 3.45Å; G447-Q450 PolarHBondContact O-N 2.93Å
448L87.6Confident93Very high102 Ų10254.3 Ų54.353%0.53428%0.282SS..THydrogen-bonded Turntrans-69.8-25-175.8-68171.7000113.1Q450 Y451L448-Q450 PolarHBondContact O-N 3.41Å; L448-Y451 PolarHBondContact O-N 2.73Å; L448-Y451 VanDerWaalsContact O-N 3.16Å
449E88.8Confident93Very high55 Ų5554.4 Ų54.426%0.25728%0.283SS..Hα-helixtrans-62.7-28.6179-67.8172.5-17300111.8L144 I445 G447 Y451 A452 M453L144-E449 WeakPolarHBondContact CD1-OE2 3.4Å; I445-E449 HydrophobicContact CG2-CB 4.39Å; G447-E449 VanDerWaalsContact C-N 3.27Å; G447-E449 PolarHBondContact O-N 2.98Å; E449-Y451 VanDerWaalsContact C-N 3.27Å; E449-Y451 PolarHBondContact O-N 2.72Å; E449-A452 PolarHBondContact O-N 2.82Å; E449-A452 VanDerWaalsContact O-N 3.08Å; E449-M453 WeakPolarHBondContact O-CG 3.41Å; E449-M453 PolarHBondContact O-N 3.38Å
450Q93.5Very high93.1Very high38 Ų3852.7 Ų52.718%0.17827%0.269CS..Hα-helixtrans-52.8-43.3172.8172.7172.165.800112.4A442 G447 L448 M453 R454A442-Q450 VanDerWaalsContact O-CG 3.24Å; A442-Q450 WeakPolarHBondContact O-CG 3.4Å; A442-Q450 PolarHBondContact O-NE2 3.22Å; G447-Q450 WeakPolarHBondContact O-CB 3.45Å; G447-Q450 PolarHBondContact O-N 2.93Å; L448-Q450 PolarHBondContact O-N 3.41Å; Q450-M453 PolarHBondContact O-N 2.86Å; Q450-R454 WeakPolarHBondContact O-CG 3.33Å; Q450-R454 PolarHBondContact O-N 2.73Å
451Y94.1Very high93.2Very high111 Ų11151.4 Ų51.444%0.43525%0.254SS..Hα-helixtrans-68.5-37.3179.8-66.2-81.2000111.9L448 E449 A455L448-Y451 PolarHBondContact O-N 2.73Å; L448-Y451 VanDerWaalsContact O-N 3.16Å; E449-Y451 VanDerWaalsContact C-N 3.27Å; E449-Y451 PolarHBondContact O-N 2.72Å; Y451-A455 VanDerWaalsContact O-CB 3.3Å; Y451-A455 WeakPolarHBondContact O-CB 3.43Å; Y451-A455 PolarHBondContact O-N 2.88Å
452A94.4Very high93.2Very high1 Ų150 Ų501%0.00825%0.251CS..Hα-helixtrans-67.8-39.2175.900000111.6L128 Y142 E449 A455 F456L128-A452 HydrophobicContact CD1-CB 4.33Å; Y142-A452 HydrophobicContact CD1-CB 4.31Å; Y142-A452 WeakPolarHBondContact CD1-O 3.38Å; Y142-A452 HydrophobicContact CE1-CB 4.47Å; Y142-A452 VanDerWaalsContact CE1-O 3.27Å; Y142-A452 WeakPolarHBondContact CE1-O 3.13Å; E449-A452 PolarHBondContact O-N 2.82Å; E449-A452 VanDerWaalsContact O-N 3.08Å; A452-A455 PolarHBondContact O-N 2.78Å; A452-F456 WeakPolarHBondContact O-CB 3.36Å; A452-F456 PolarHBondContact O-N 2.94Å
453M95Very high93.3Very high2 Ų250.6 Ų50.61%0.0125%0.254CS..Hα-helixtrans-67.7-40.3176.2-68.7-172.463.300112.7A145 V438 E441 A442 I445 E449 Q450 F456 A457A145-M453 HydrophobicContact CB-CG 4.12Å; V438-M453 HydrophobicContact CG1-CB 4.3Å; V438-M453 HydrophobicContact CG1-CE 4.18Å; V438-M453 WeakPolarHBondContact CG1-O 3.34Å; E441-M453 HydrophobicContact CB-CE 4Å; E441-M453 HydrophobicContact CG-CE 3.98Å; A442-M453 HydrophobicContact CB-CB 3.68Å; I445-M453 HydrophobicContact CD1-CE 3.84Å; I445-M453 HydrophobicContact CD1-SD 3.21Å; I445-M453 WeakPolarHBondContact CD1-SD 3.48Å; I445-M453 HydrophobicContact CG1-SD 4.5Å; E449-M453 WeakPolarHBondContact O-CG 3.41Å; E449-M453 PolarHBondContact O-N 3.38Å; Q450-M453 PolarHBondContact O-N 2.86Å; M453-F456 WeakPolarHBondContact O-CB 3.27Å; M453-F456 PolarHBondContact O-N 2.84Å; M453-A457 PolarHBondContact O-N 3Å
454R95.3Very high93.4Very high88 Ų8845.7 Ų45.733%0.33223%0.228SC..Hα-helixtrans-62.4-45.3172.9-72.9-174.6-178133.70.1111.8A442 D443 Q450 F456 A457 D458A442-R454 HydrophobicContact CB-CG 3.85Å; D443-R454 IonicContact OD1-CZ 2.72Å; D443-R454 IonicContact OD1-NE 3.12Å; D443-R454 IonicContact OD1-NH2 3.65Å; D443-R454 PolarHBondContact OD1-NH2 2.69Å; Q450-R454 WeakPolarHBondContact O-CG 3.33Å; Q450-R454 PolarHBondContact O-N 2.73Å; R454-F456 VanDerWaalsContact C-N 3.26Å; R454-F456 PolarHBondContact O-N 2.89Å; R454-A457 WeakPolarHBondContact O-CB 3.47Å; R454-A457 PolarHBondContact O-N 2.84Å; R454-A457 VanDerWaalsContact O-N 3.09Å; R454-D458 PolarHBondContact O-N 3.08Å
455A95.8Very high93.6Very high5 Ų541.2 Ų41.24%0.04121%0.21CC..Hα-helixtrans-59.7-36.2174.800000112.6Q124 L128 Y142 Y451 A452 D458 A459Q124-A455 HydrophobicContact CB-CB 4.09Å; Q124-A455 WeakPolarHBondContact CG-O 3.48Å; L128-A455 HydrophobicContact CD1-CB 3.66Å; L128-A455 HydrophobicContact CD2-CB 4.49Å; L128-A455 HydrophobicContact CG-CB 4.2Å; Y142-A455 HydrophobicContact CE1-CB 4.24Å; Y451-A455 VanDerWaalsContact O-CB 3.3Å; Y451-A455 WeakPolarHBondContact O-CB 3.43Å; Y451-A455 PolarHBondContact O-N 2.88Å; A452-A455 PolarHBondContact O-N 2.78Å; A455-D458 PolarHBondContact O-N 2.77Å; A455-A459 WeakPolarHBondContact O-CB 2.99Å; A455-A459 PolarHBondContact O-N 2.99Å
456F96.6Very high93.9Very high0 Ų039.3 Ų39.30%020%0.2CC..Hα-helixtrans-65.3-43.2173.3-173.3-86.4000112.1L121 Y142 A145 A146 C149 V438 A452 M453 R454 A459 L460 I522 V526L121-F456 HydrophobicContact CD1-CE2 4.14Å; L121-F456 HydrophobicContact CD2-CD2 3.27Å; L121-F456 HydrophobicContact CD2-CE2 3.56Å; L121-F456 HydrophobicContact CD2-CG 4.11Å; L121-F456 HydrophobicContact CG-CE2 4.49Å; Y142-F456 HydrophobicContact CD1-CB 3.98Å; Y142-F456 HydrophobicContact CD1-CD2 4.07Å; Y142-F456 HydrophobicContact CE1-CB 4.13Å; Y142-F456 HydrophobicContact CG-CD2 4.15Å; A145-F456 HydrophobicContact CB-CB 3.76Å; A145-F456 HydrophobicContact CB-CD1 3.53Å; A145-F456 HydrophobicContact CB-CD2 4.03Å; A145-F456 HydrophobicContact CB-CE1 4.1Å; A145-F456 HydrophobicContact CB-CG 3.48Å; A145-F456 VanDerWaalsContact CB-CG 3.48Å; A146-F456 HydrophobicContact CB-CZ 4.47Å; C149-F456 HydrophobicContact CB-CE1 4.33Å; V438-F456 HydrophobicContact CG1-CD1 4.16Å; V438-F456 HydrophobicContact CG2-CD1 4.43Å; A452-F456 WeakPolarHBondContact O-CB 3.36Å; A452-F456 PolarHBondContact O-N 2.94Å; M453-F456 WeakPolarHBondContact O-CB 3.27Å; M453-F456 PolarHBondContact O-N 2.84Å; R454-F456 VanDerWaalsContact C-N 3.26Å; R454-F456 PolarHBondContact O-N 2.89Å; F456-A459 WeakPolarHBondContact O-CB 3.48Å; F456-A459 PolarHBondContact O-N 2.86Å; F456-L460 HydrophobicContact CD1-CD1 4.02Å; F456-L460 HydrophobicContact CD1-CG 4.27Å; F456-L460 HydrophobicContact CE1-CD1 3.71Å; F456-L460 HydrophobicContact CE1-CD2 4.24Å; F456-L460 HydrophobicContact CE1-CG 3.94Å; F456-L460 PolarHBondContact O-N 2.82Å; F456-L460 VanDerWaalsContact O-N 3.12Å; F456-I522 HydrophobicContact CZ-CG2 4.1Å; F456-V526 HydrophobicContact CE2-CG2 3.5Å; F456-V526 VanDerWaalsContact CE2-CG2 3.5Å; F456-V526 HydrophobicContact CZ-CG2 4.1Å
457A96.1Very high94.2Very high3 Ų331 Ų313%0.02516%0.161CC..Hα-helixtrans-61.7-43.7175.700000111.5A435 V438 A439 M453 R454 A459 L460 E461A435-A457 HydrophobicContact CB-CB 4.35Å; A435-A457 WeakPolarHBondContact CB-O 3.46Å; A435-A457 WeakPolarHBondContact O-CB 3.42Å; V438-A457 HydrophobicContact CB-CB 4.34Å; V438-A457 HydrophobicContact CG1-CB 4.19Å; A439-A457 HydrophobicContact CB-CB 4.24Å; M453-A457 PolarHBondContact O-N 3Å; R454-A457 WeakPolarHBondContact O-CB 3.47Å; R454-A457 PolarHBondContact O-N 2.84Å; R454-A457 VanDerWaalsContact O-N 3.09Å; A457-A459 VanDerWaalsContact C-N 3.28Å; A457-A459 PolarHBondContact O-N 3.19Å; A457-L460 WeakPolarHBondContact O-CB 2.96Å; A457-L460 PolarHBondContact O-N 2.77Å; A457-E461 PolarHBondContact O-N 2.88Å
458D96Very high94.7Very high74 Ų7428.7 Ų28.740%0.39614%0.138SC..Hα-helixtrans-63-34.3175.9-65.7-26.4000112R454 A455 E461R454-D458 PolarHBondContact O-N 3.08Å; A455-D458 PolarHBondContact O-N 2.77Å; D458-E461 PolarHBondContact O-N 3.3Å
459A96.6Very high95Very high1 Ų128.5 Ų28.51%0.00813%0.134CC..Hα-helixtrans-68.4-35.617600000112.9A120 L121 Q124 A455 F456 A457 E461 A462A120-A459 HydrophobicContact CB-CB 4.16Å; L121-A459 HydrophobicContact CD2-CB 3.58Å; L121-A459 HydrophobicContact CG-CB 4Å; Q124-A459 HydrophobicContact CG-CB 3.95Å; A455-A459 WeakPolarHBondContact O-CB 2.99Å; A455-A459 PolarHBondContact O-N 2.99Å; F456-A459 WeakPolarHBondContact O-CB 3.48Å; F456-A459 PolarHBondContact O-N 2.86Å; A457-A459 VanDerWaalsContact C-N 3.28Å; A457-A459 PolarHBondContact O-N 3.19Å; A459-E461 PolarHBondContact O-N 2.91Å; A459-A462 WeakPolarHBondContact O-CB 3.33Å; A459-A462 PolarHBondContact O-N 3.06Å; A459-A462 VanDerWaalsContact O-N 3.12Å
460L96Very high95.3Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-62-32.6176.4-74172.4000111.8L117 C434 A435 F456 A457 A462 I463 P464L117-L460 HydrophobicContact CD1-CD2 4.01Å; C434-L460 HydrophobicContact CB-CD1 3.77Å; A435-L460 HydrophobicContact CB-CB 4.05Å; A435-L460 HydrophobicContact CB-CD1 4.28Å; F456-L460 HydrophobicContact CD1-CD1 4.02Å; F456-L460 HydrophobicContact CD1-CG 4.27Å; F456-L460 HydrophobicContact CE1-CD1 3.71Å; F456-L460 HydrophobicContact CE1-CD2 4.24Å; F456-L460 HydrophobicContact CE1-CG 3.94Å; F456-L460 PolarHBondContact O-N 2.82Å; F456-L460 VanDerWaalsContact O-N 3.12Å; A457-L460 WeakPolarHBondContact O-CB 2.96Å; A457-L460 PolarHBondContact O-N 2.77Å; L460-A462 PolarHBondContact O-N 3.46Å; L460-I463 PolarHBondContact O-N 2.96Å; L460-P464 WeakPolarHBondContact O-CD 3.45Å
461E95.6Very high95.3Very high24 Ų2427 Ų2711%0.11213%0.131CC..THydrogen-bonded Turntrans-68-14.5177.5-63.7178.8-158.700113.2A435 A457 D458 A459 I463 P464 M465 V479 K483A435-E461 HydrophobicContact CB-CG 4.1Å; A457-E461 PolarHBondContact O-N 2.88Å; D458-E461 PolarHBondContact O-N 3.3Å; A459-E461 PolarHBondContact O-N 2.91Å; E461-I463 VanDerWaalsContact C-N 3.25Å; E461-I463 PolarHBondContact O-N 3.43Å; E461-P464 VanDerWaalsContact O-CD 3.24Å; E461-P464 WeakPolarHBondContact O-CD 3.35Å; E461-P464 VanDerWaalsContact O-CG 3.27Å; E461-P464 WeakPolarHBondContact O-CG 3.45Å; E461-M465 VanDerWaalsContact C-CE 3.43Å; E461-M465 HydrophobicContact CB-CE 3.74Å; E461-M465 VanDerWaalsContact O-CB 3.3Å; E461-M465 WeakPolarHBondContact O-CB 3.28Å; E461-M465 VanDerWaalsContact O-CE 3.31Å; E461-M465 WeakPolarHBondContact O-CE 3.45Å; E461-M465 VanDerWaalsContact O-CG 3.22Å; E461-M465 WeakPolarHBondContact O-CG 3.38Å; E461-M465 PolarHBondContact O-N 2.92Å; E461-V479 HydrophobicContact CB-CG1 4.42Å; E461-V479 HydrophobicContact CG-CG1 4.43Å; E461-K483 VanDerWaalsContact CD-NZ 3.33Å; E461-K483 WeakPolarHBondContact OE1-CD 3.47Å; E461-K483 VanDerWaalsContact OE1-CE 3.22Å; E461-K483 WeakPolarHBondContact OE1-CE 3.3Å; E461-K483 IonicContact OE1-NZ 3.43Å; E461-K483 PolarHBondContact OE1-NZ 2.84Å; E461-K483 IonicContact OE2-NZ 3.04Å; E461-K483 PolarHBondContact OE2-NZ 2.85Å
462A94.7Very high95.3Very high20 Ų2024.9 Ų24.917%0.16514%0.144CC..Hα-helixtrans-61.1-33.2176.400000113A120 A459 L460 A466A120-A462 HydrophobicContact CB-CB 3.48Å; A120-A462 VanDerWaalsContact CB-CB 3.48Å; A459-A462 WeakPolarHBondContact O-CB 3.33Å; A459-A462 PolarHBondContact O-N 3.06Å; A459-A462 VanDerWaalsContact O-N 3.12Å; L460-A462 PolarHBondContact O-N 3.46Å; A462-A466 VanDerWaalsContact O-CB 3.28Å; A462-A466 WeakPolarHBondContact O-CB 3.36Å; A462-A466 PolarHBondContact O-N 2.92Å
463I95.4Very high95.2Very high12 Ų1226.9 Ų26.96%0.06215%0.154CC..Hα-helixtrans-66.8-58.4178.7-61.1-62.2000111.8L57 V116 L117 E431 L460 E461 M465 A466 L467L57-I463 HydrophobicContact CD2-CD1 4.14Å; L57-I463 HydrophobicContact CD2-CG2 4.3Å; V116-I463 HydrophobicContact CB-CD1 4.01Å; V116-I463 HydrophobicContact CG1-CD1 3.8Å; L117-I463 HydrophobicContact CB-CD1 4.43Å; E431-I463 HydrophobicContact CG-CB 4.03Å; E431-I463 HydrophobicContact CG-CG1 4.28Å; E431-I463 HydrophobicContact CG-CG2 4.11Å; L460-I463 PolarHBondContact O-N 2.96Å; E461-I463 VanDerWaalsContact C-N 3.25Å; E461-I463 PolarHBondContact O-N 3.43Å; I463-M465 VanDerWaalsContact C-N 3.28Å; I463-M465 PolarHBondContact O-N 3.06Å; I463-A466 PolarHBondContact O-N 3.4Å; I463-A466 VanDerWaalsContact O-N 3.17Å; I463-L467 HydrophobicContact CG2-CD1 4.47Å; I463-L467 WeakPolarHBondContact O-CG 3.35Å; I463-L467 PolarHBondContact O-N 2.94Å
464P96.2Very high95.2Very high0 Ų030.3 Ų30.30%018%0.176CC..Hα-helixtrans-63.1-33.2176.425.9-35.7000112.3I432 L460 E461 L467 A468 V479 V496I432-P464 HydrophobicContact CD1-CB 3.98Å; I432-P464 HydrophobicContact CD1-CG 4.16Å; I432-P464 HydrophobicContact CG1-CB 4.15Å; I432-P464 HydrophobicContact CG1-CG 3.78Å; L460-P464 WeakPolarHBondContact O-CD 3.45Å; E461-P464 VanDerWaalsContact O-CD 3.24Å; E461-P464 WeakPolarHBondContact O-CD 3.35Å; E461-P464 VanDerWaalsContact O-CG 3.27Å; E461-P464 WeakPolarHBondContact O-CG 3.45Å; P464-L467 PolarHBondContact O-N 3.46Å; P464-A468 WeakPolarHBondContact O-CB 3.46Å; P464-A468 PolarHBondContact O-N 3.17Å; P464-V479 HydrophobicContact CB-CG2 4Å; P464-V479 HydrophobicContact CG-CG2 4.25Å; P464-V496 HydrophobicContact CB-CG2 3.91Å
465M95.8Very high95.1Very high52 Ų5228 Ų2826%0.25617%0.172SC..Hα-helixtrans-62-43.6173.1-77.1-169.1-84.200112E461 I463 A468 E469 P475 V479E461-M465 VanDerWaalsContact C-CE 3.43Å; E461-M465 HydrophobicContact CB-CE 3.74Å; E461-M465 VanDerWaalsContact O-CB 3.3Å; E461-M465 WeakPolarHBondContact O-CB 3.28Å; E461-M465 VanDerWaalsContact O-CE 3.31Å; E461-M465 WeakPolarHBondContact O-CE 3.45Å; E461-M465 VanDerWaalsContact O-CG 3.22Å; E461-M465 WeakPolarHBondContact O-CG 3.38Å; E461-M465 PolarHBondContact O-N 2.92Å; I463-M465 VanDerWaalsContact C-N 3.28Å; I463-M465 PolarHBondContact O-N 3.06Å; M465-A468 PolarHBondContact O-N 2.68Å; M465-E469 WeakPolarHBondContact O-CB 3.25Å; M465-E469 PolarHBondContact O-N 3.01Å; M465-P475 HydrophobicContact CB-CB 4.23Å; M465-P475 HydrophobicContact CG-CB 4.35Å; M465-V479 HydrophobicContact CB-CG2 4.48Å; M465-V479 HydrophobicContact CG-CB 4.36Å; M465-V479 HydrophobicContact CG-CG2 3.7Å
466A95Very high95.1Very high0 Ų034 Ų340%020%0.203CC..Hα-helixtrans-65.3-39.7175.900000112.4R54 L57 A462 I463 E469 N470R54-A466 HydrophobicContact CG-CB 3.72Å; L57-A466 HydrophobicContact CD2-CB 3.93Å; A462-A466 VanDerWaalsContact O-CB 3.28Å; A462-A466 WeakPolarHBondContact O-CB 3.36Å; A462-A466 PolarHBondContact O-N 2.92Å; I463-A466 PolarHBondContact O-N 3.4Å; I463-A466 VanDerWaalsContact O-N 3.17Å; A466-E469 PolarHBondContact O-N 2.8Å; A466-N470 WeakPolarHBondContact O-CB 3.49Å; A466-N470 VanDerWaalsContact O-CG 3.24Å; A466-N470 PolarHBondContact O-N 2.98Å; A466-N470 PolarHBondContact O-ND2 3.14Å
467L95Very high95.1Very high14 Ų1437.4 Ų37.47%0.07322%0.223CC..Hα-helixtrans-62-43.4174.7-69.7175.7000112.3L57 I463 P464 S471 V496L57-L467 HydrophobicContact CD2-CD2 4.4Å; L57-L467 HydrophobicContact CD2-CG 4.47Å; L57-L467 HydrophobicContact CG-CD2 4.08Å; I463-L467 HydrophobicContact CG2-CD1 4.47Å; I463-L467 WeakPolarHBondContact O-CG 3.35Å; I463-L467 PolarHBondContact O-N 2.94Å; P464-L467 PolarHBondContact O-N 3.46Å; L467-S471 WeakPolarHBondContact O-CB 3.19Å; L467-S471 PolarHBondContact O-N 3.29Å; L467-S471 VanDerWaalsContact O-N 3.12Å; L467-S471 PolarHBondContact O-OG 2.8Å; L467-V496 HydrophobicContact CB-CB 4.5Å
468A95.5Very high95Very high0 Ų038 Ų380%023%0.226CC..Hα-helixtrans-64.5-45.717700000111.5P464 M465 S471 G472 L473 P475 T478 V496P464-A468 WeakPolarHBondContact O-CB 3.46Å; P464-A468 PolarHBondContact O-N 3.17Å; M465-A468 PolarHBondContact O-N 2.68Å; A468-S471 CarbonylContact O-C 3.56Å; A468-S471 PolarHBondContact O-N 2.82Å; A468-S471 VanDerWaalsContact O-N 3.13Å; A468-G472 PolarHBondContact O-N 3.47Å; A468-L473 CarbonylContact C-O 3.56Å; A468-L473 HydrophobicContact CB-CB 4.2Å; A468-L473 PolarHBondContact O-N 3.43Å; A468-P475 HydrophobicContact CB-CB 4.26Å; A468-T478 HydrophobicContact CB-CG2 4.38Å; A468-V496 HydrophobicContact CB-CG1 4.06Å
469E95.1Very high94.9Very high99 Ų9934.6 Ų34.646%0.46321%0.208SC..Hα-helixtrans-60.3-47.7178.1-175.2175-171.900112R54 M465 A466 S471 G472R54-E469 IonicContact CZ-OE2 2.88Å; R54-E469 IonicContact NE-OE2 3.72Å; R54-E469 PolarHBondContact NE-OE2 3.01Å; R54-E469 IonicContact NH1-OE2 2.71Å; R54-E469 IonicContact NH2-OE2 3.35Å; R54-E469 PolarHBondContact NH2-OE2 3.37Å; M465-E469 WeakPolarHBondContact O-CB 3.25Å; M465-E469 PolarHBondContact O-N 3.01Å; A466-E469 PolarHBondContact O-N 2.8Å; E469-S471 PolarHBondContact O-N 2.96Å; E469-G472 PolarHBondContact O-N 3.15Å
470N94.7Very high94.8Very high35 Ų3537.6 Ų37.619%0.18723%0.229CC..Hα-helixtrans-65.6-23.5177.8-67.4-18.3000112.7R54 L57 K60 A466 G472R54-N470 PolarHBondContact O-ND2 3.43Å; L57-N470 PolarHBondContact O-ND2 3.17Å; K60-N470 WeakPolarHBondContact CB-O 3.4Å; A466-N470 WeakPolarHBondContact O-CB 3.49Å; A466-N470 VanDerWaalsContact O-CG 3.24Å; A466-N470 PolarHBondContact O-N 2.98Å; A466-N470 PolarHBondContact O-ND2 3.14Å; N470-G472 VanDerWaalsContact C-N 3.34Å
471S93Very high94.7Very high25 Ų2543.1 Ų43.118%0.17526%0.255CS..THydrogen-bonded Turntrans-87-2.9176-54.60000113.3L467 A468 E469 L473 C498L467-S471 WeakPolarHBondContact O-CB 3.19Å; L467-S471 PolarHBondContact O-N 3.29Å; L467-S471 VanDerWaalsContact O-N 3.12Å; L467-S471 PolarHBondContact O-OG 2.8Å; A468-S471 CarbonylContact O-C 3.56Å; A468-S471 PolarHBondContact O-N 2.82Å; A468-S471 VanDerWaalsContact O-N 3.13Å; E469-S471 PolarHBondContact O-N 2.96Å; S471-L473 VanDerWaalsContact C-N 3.29Å; S471-C498 WeakPolarHBondContact OG-CA 3.3Å; S471-C498 VanDerWaalsContact OG-CB 3.25Å; S471-C498 WeakPolarHBondContact OG-CB 3.43Å; S471-C498 PolarHBondContact OG-SG 3.47Å; S471-C498 VanDerWaalsContact OG-SG 3.41Å
472G93Very high94.7Very high68 Ų6842.1 Ų42.170%0.70125%0.25SS*.THydrogen-bonded Turntrans75.913.9-176.200000114.3A468 E469 N470A468-G472 PolarHBondContact O-N 3.47Å; E469-G472 PolarHBondContact O-N 3.15Å; N470-G472 VanDerWaalsContact C-N 3.34Å
473L93.4Very high94.6Very high43 Ų4344 Ų4423%0.22526%0.255CS..SBendtrans-87.7148.4175.5-60.7176.3000110.1A468 S471 P475 T478 V496A468-L473 CarbonylContact C-O 3.56Å; A468-L473 HydrophobicContact CB-CB 4.2Å; A468-L473 PolarHBondContact O-N 3.43Å; S471-L473 VanDerWaalsContact C-N 3.29Å; L473-P475 VanDerWaalsContact O-CD 3.22Å; L473-P475 WeakPolarHBondContact O-CD 3.45Å; L473-P475 VanDerWaalsContact O-N 3.15Å; L473-T478 HydrophobicContact CD1-CG2 4.43Å; L473-V496 HydrophobicContact CD1-CG1 4.04Å
474P94.8Very high94.6Very high73 Ų7345.9 Ų45.947%0.47427%0.272SS..  trans-65.8112.7174.426-32.6000109.8I476 V477 T478P474-I476 PolarHBondContact O-N 3.44Å; P474-V477 HydrophobicContact CB-CB 4.12Å; P474-V477 HydrophobicContact CB-CG2 4.15Å; P474-V477 HydrophobicContact CG-CB 4Å; P474-V477 HydrophobicContact CG-CG2 4.39Å; P474-V477 PolarHBondContact O-N 2.84Å; P474-T478 WeakPolarHBondContact O-CB 3.46Å; P474-T478 PolarHBondContact O-N 3.43Å; P474-T478 PolarHBondContact O-OG1 3.17Å
475P93.9Very high94.5Very high39 Ų3950.1 Ų50.125%0.25329%0.288SS..Hα-helixtrans-65.1-44.2-167.223-33000112.5M465 A468 L473 V479M465-P475 HydrophobicContact CB-CB 4.23Å; M465-P475 HydrophobicContact CG-CB 4.35Å; A468-P475 HydrophobicContact CB-CB 4.26Å; L473-P475 VanDerWaalsContact O-CD 3.22Å; L473-P475 WeakPolarHBondContact O-CD 3.45Å; L473-P475 VanDerWaalsContact O-N 3.15Å; P475-V479 WeakPolarHBondContact O-CB 3.24Å; P475-V479 WeakPolarHBondContact O-CG2 3.38Å; P475-V479 PolarHBondContact O-N 3.03Å
476I94.9Very high94.4Very high133 Ų13348.1 Ų48.168%0.68228%0.278SS*.Hα-helixtrans-63.9-47.6-178.7-61.5169.4000110.8P474 S480P474-I476 PolarHBondContact O-N 3.44Å; I476-S480 VanDerWaalsContact O-CB 3.26Å; I476-S480 WeakPolarHBondContact O-CB 3.44Å; I476-S480 PolarHBondContact O-N 3.47Å; I476-S480 PolarHBondContact O-OG 2.79Å
477V95.9Very high94.3Very high70 Ų7053.2 Ų53.242%0.42431%0.305SS..Hα-helixtrans-63.7-49.2-179.4-1800000109.9P474 V479 S480 E481P474-V477 HydrophobicContact CB-CB 4.12Å; P474-V477 HydrophobicContact CB-CG2 4.15Å; P474-V477 HydrophobicContact CG-CB 4Å; P474-V477 HydrophobicContact CG-CG2 4.39Å; P474-V477 PolarHBondContact O-N 2.84Å; V477-V479 PolarHBondContact O-N 2.98Å; V477-S480 PolarHBondContact O-N 3.04Å; V477-S480 PolarHBondContact O-OG 3.07Å; V477-E481 HydrophobicContact CG1-CG 4.41Å; V477-E481 WeakPolarHBondContact CG1-OE1 3.01Å; V477-E481 WeakPolarHBondContact O-CB 3.43Å; V477-E481 WeakPolarHBondContact O-CG 3.3Å; V477-E481 PolarHBondContact O-N 2.83Å
478T94.2Very high94.2Very high16 Ų1657.6 Ų57.610%0.09834%0.335CS..Hα-helixtrans-61.1-47.4-178.2-50.70000112.2A468 L473 P474 E481 L482 V496A468-T478 HydrophobicContact CB-CG2 4.38Å; L473-T478 HydrophobicContact CD1-CG2 4.43Å; P474-T478 WeakPolarHBondContact O-CB 3.46Å; P474-T478 PolarHBondContact O-N 3.43Å; P474-T478 PolarHBondContact O-OG1 3.17Å; T478-E481 PolarHBondContact O-N 3.39Å; T478-L482 HydrophobicContact CG2-CD1 4.01Å; T478-L482 WeakPolarHBondContact O-CB 3.47Å; T478-L482 VanDerWaalsContact O-CG 3.23Å; T478-L482 WeakPolarHBondContact O-CG 3.48Å; T478-L482 PolarHBondContact O-N 2.9Å; T478-V496 HydrophobicContact CG2-CG1 4.2Å; T478-V496 HydrophobicContact CG2-CG2 4.38Å
479V94.3Very high94Very high3 Ų362.1 Ų62.12%0.01836%0.357CS..Hα-helixtrans-68.8-39.8-179.5174.90000111.3E461 P464 M465 P475 V477 L482 K483E461-V479 HydrophobicContact CB-CG1 4.42Å; E461-V479 HydrophobicContact CG-CG1 4.43Å; P464-V479 HydrophobicContact CB-CG2 4Å; P464-V479 HydrophobicContact CG-CG2 4.25Å; M465-V479 HydrophobicContact CB-CG2 4.48Å; M465-V479 HydrophobicContact CG-CB 4.36Å; M465-V479 HydrophobicContact CG-CG2 3.7Å; P475-V479 WeakPolarHBondContact O-CB 3.24Å; P475-V479 WeakPolarHBondContact O-CG2 3.38Å; P475-V479 PolarHBondContact O-N 3.03Å; V477-V479 PolarHBondContact O-N 2.98Å; V479-L482 PolarHBondContact O-N 3.48Å; V479-K483 HydrophobicContact CG1-CD 4.02Å; V479-K483 HydrophobicContact CG1-CG 4.35Å; V479-K483 WeakPolarHBondContact O-CB 3.36Å; V479-K483 VanDerWaalsContact O-CG 3.31Å; V479-K483 WeakPolarHBondContact O-CG 3.43Å; V479-K483 PolarHBondContact O-N 3.34Å
480S94.9Very high93.7Very high63 Ų6365.1 Ų65.144%0.44137%0.37SS..Hα-helixtrans-63.5-42.7176.464.80000112.9I476 V477 K483 A484I476-S480 VanDerWaalsContact O-CB 3.26Å; I476-S480 WeakPolarHBondContact O-CB 3.44Å; I476-S480 PolarHBondContact O-N 3.47Å; I476-S480 PolarHBondContact O-OG 2.79Å; V477-S480 PolarHBondContact O-N 3.04Å; V477-S480 PolarHBondContact O-OG 3.07Å; S480-K483 PolarHBondContact O-N 2.89Å; S480-A484 WeakPolarHBondContact O-CB 3.42Å; S480-A484 PolarHBondContact O-N 3.02Å
481E94.2Very high93.4Very high117 Ų11765 Ų6555%0.54737%0.369SS..Hα-helixtrans-62.3-45.6174.5-74.7177.2-175.600111.5V477 T478 A484 R485V477-E481 HydrophobicContact CG1-CG 4.41Å; V477-E481 WeakPolarHBondContact CG1-OE1 3.01Å; V477-E481 WeakPolarHBondContact O-CB 3.43Å; V477-E481 WeakPolarHBondContact O-CG 3.3Å; V477-E481 PolarHBondContact O-N 2.83Å; T478-E481 PolarHBondContact O-N 3.39Å; E481-A484 PolarHBondContact O-N 2.89Å; E481-R485 WeakPolarHBondContact O-CB 3.5Å; E481-R485 VanDerWaalsContact O-CG 3.32Å; E481-R485 WeakPolarHBondContact O-CG 3.47Å; E481-R485 PolarHBondContact O-N 2.82Å
482L94.4Very high93.3Very high3 Ų365.6 Ų65.62%0.01637%0.373CS..Hα-helixtrans-63.7-43.3178.1-73.1172.4000112.4I432 T478 V479 A484 R485 Q486 L494 G495 V496 N504I432-L482 HydrophobicContact CD1-CB 3.81Å; I432-L482 HydrophobicContact CD1-CD1 3.99Å; T478-L482 HydrophobicContact CG2-CD1 4.01Å; T478-L482 WeakPolarHBondContact O-CB 3.47Å; T478-L482 VanDerWaalsContact O-CG 3.23Å; T478-L482 WeakPolarHBondContact O-CG 3.48Å; T478-L482 PolarHBondContact O-N 2.9Å; V479-L482 PolarHBondContact O-N 3.48Å; L482-A484 PolarHBondContact O-N 3.02Å; L482-R485 PolarHBondContact O-N 3.11Å; L482-Q486 WeakPolarHBondContact O-CB 3.31Å; L482-Q486 WeakPolarHBondContact O-CG 3.43Å; L482-Q486 PolarHBondContact O-N 3.44Å; L482-L494 HydrophobicContact CD2-CB 4.29Å; L482-G495 VanDerWaalsContact CD2-O 3.29Å; L482-G495 WeakPolarHBondContact CD2-O 3.44Å; L482-V496 HydrophobicContact CD1-CB 4.39Å; L482-V496 HydrophobicContact CD1-CG2 3.66Å; L482-N504 HydrophobicContact CD2-CB 3.94Å
483K94.2Very high93.3Very high59 Ų5967 Ų6726%0.25736%0.357SS..Hα-helixtrans-57.7-48.2173.8-78.817671.3175.60111.5I432 L436 E461 V479 S480 R485 Q486 L487I432-K483 HydrophobicContact CG2-CB 4.47Å; I432-K483 HydrophobicContact CG2-CG 3.63Å; L436-K483 HydrophobicContact CD2-CB 4.43Å; L436-K483 HydrophobicContact CD2-CG 4.4Å; E461-K483 VanDerWaalsContact CD-NZ 3.33Å; E461-K483 WeakPolarHBondContact OE1-CD 3.47Å; E461-K483 VanDerWaalsContact OE1-CE 3.22Å; E461-K483 WeakPolarHBondContact OE1-CE 3.3Å; E461-K483 IonicContact OE1-NZ 3.43Å; E461-K483 PolarHBondContact OE1-NZ 2.84Å; E461-K483 IonicContact OE2-NZ 3.04Å; E461-K483 PolarHBondContact OE2-NZ 2.85Å; V479-K483 HydrophobicContact CG1-CD 4.02Å; V479-K483 HydrophobicContact CG1-CG 4.35Å; V479-K483 WeakPolarHBondContact O-CB 3.36Å; V479-K483 VanDerWaalsContact O-CG 3.31Å; V479-K483 WeakPolarHBondContact O-CG 3.43Å; V479-K483 PolarHBondContact O-N 3.34Å; S480-K483 PolarHBondContact O-N 2.89Å; K483-R485 VanDerWaalsContact C-N 3.32Å; K483-R485 PolarHBondContact O-N 2.86Å; K483-Q486 PolarHBondContact O-N 3.37Å; K483-L487 WeakPolarHBondContact O-CB 3.34Å; K483-L487 PolarHBondContact O-N 2.96Å
484A94.4Very high93.3Very high51 Ų5165.1 Ų65.142%0.42135%0.347SS..Hα-helixtrans-61.2-42.6178.500000111.4S480 E481 L482 L487 C488S480-A484 WeakPolarHBondContact O-CB 3.42Å; S480-A484 PolarHBondContact O-N 3.02Å; E481-A484 PolarHBondContact O-N 2.89Å; L482-A484 PolarHBondContact O-N 3.02Å; A484-L487 PolarHBondContact O-N 2.89Å; A484-C488 WeakPolarHBondContact O-CB 3.5Å; A484-C488 PolarHBondContact O-N 3.07Å; A484-C488 PolarHBondContact O-SG 3.22Å
485R93.8Very high93.2Very high90 Ų9061.7 Ų61.734%0.3433%0.325SS..Hα-helixtrans-69-43.9178.6-70.8-174.865.3-168.5-4113.2E481 L482 K483 L487 C488 E489 L494 N504E481-R485 WeakPolarHBondContact O-CB 3.5Å; E481-R485 VanDerWaalsContact O-CG 3.32Å; E481-R485 WeakPolarHBondContact O-CG 3.47Å; E481-R485 PolarHBondContact O-N 2.82Å; L482-R485 PolarHBondContact O-N 3.11Å; K483-R485 VanDerWaalsContact C-N 3.32Å; K483-R485 PolarHBondContact O-N 2.86Å; R485-L487 PolarHBondContact O-N 3.3Å; R485-C488 PolarHBondContact O-N 3.1Å; R485-E489 IonicContact CZ-OE1 3.32Å; R485-E489 IonicContact NE-OE1 3.32Å; R485-E489 PolarHBondContact NE-OE1 2.92Å; R485-E489 IonicContact NH2-OE1 3.96Å; R485-E489 PolarHBondContact NH2-OE1 2.76Å; R485-E489 IonicContact NH2-OE2 3.59Å; R485-E489 VanDerWaalsContact O-CB 3.26Å; R485-E489 WeakPolarHBondContact O-CB 3.12Å; R485-E489 WeakPolarHBondContact O-CG 3.33Å; R485-E489 PolarHBondContact O-N 3.01Å; R485-L494 HydrophobicContact CB-CD1 3.67Å; R485-N504 PolarHBondContact NH1-OD1 3.15Å
486Q93.6Very high93.2Very high9 Ų959.9 Ų59.94%0.04231%0.313CS..Hα-helixtrans-58.9-38.8175.4-74.7-158.2-1.500111.4A429 I432 A433 L436 L482 K483 H490 N491 L494A429-Q486 PolarHBondContact O-NE2 3.19Å; I432-Q486 HydrophobicContact CG2-CG 4.35Å; A433-Q486 VanDerWaalsContact CA-OE1 3.28Å; A433-Q486 VanDerWaalsContact N-OE1 3.14Å; L436-Q486 HydrophobicContact CD1-CB 3.86Å; L482-Q486 WeakPolarHBondContact O-CB 3.31Å; L482-Q486 WeakPolarHBondContact O-CG 3.43Å; L482-Q486 PolarHBondContact O-N 3.44Å; K483-Q486 PolarHBondContact O-N 3.37Å; Q486-H490 VanDerWaalsContact O-CA 3.24Å; Q486-H490 WeakPolarHBondContact O-CA 3.42Å; Q486-H490 PolarHBondContact O-N 3.31Å; Q486-N491 WeakPolarHBondContact CG-O 3.22Å; Q486-N491 PolarHBondContact O-N 3.44Å; Q486-L494 HydrophobicContact CG-CB 3.93Å; Q486-L494 HydrophobicContact CG-CD1 4.43Å; Q486-L494 PolarHBondContact NE2-O 2.84Å
487L92.8Very high93.1Very high108 Ų10854.2 Ų54.257%0.56528%0.284SS*.Hα-helixtrans-70.2-45.4177.5-17268.3000112.5K483 A484 R485 H490K483-L487 WeakPolarHBondContact O-CB 3.34Å; K483-L487 PolarHBondContact O-N 2.96Å; A484-L487 PolarHBondContact O-N 2.89Å; R485-L487 PolarHBondContact O-N 3.3Å; L487-H490 PolarHBondContact O-CE1 3.34Å
488C93.3Very high92.8Very high105 Ų10551.3 Ų51.371%0.70927%0.267SS*.Hα-helixtrans-73-40.4-178.3-71.30000113.4A484 R485A484-C488 WeakPolarHBondContact O-CB 3.5Å; A484-C488 PolarHBondContact O-N 3.07Å; A484-C488 PolarHBondContact O-SG 3.22Å; R485-C488 PolarHBondContact O-N 3.1Å
489E90.5Very high92.6Very high96 Ų9655 Ų5545%0.44929%0.285SS..Hα-helixtrans-89.2-9.6-177.1-60.1177.6-151.100112.3R485 N491R485-E489 IonicContact CZ-OE1 3.32Å; R485-E489 IonicContact NE-OE1 3.32Å; R485-E489 PolarHBondContact NE-OE1 2.92Å; R485-E489 IonicContact NH2-OE1 3.96Å; R485-E489 PolarHBondContact NH2-OE1 2.76Å; R485-E489 IonicContact NH2-OE2 3.59Å; R485-E489 VanDerWaalsContact O-CB 3.26Å; R485-E489 WeakPolarHBondContact O-CB 3.12Å; R485-E489 WeakPolarHBondContact O-CG 3.33Å; R485-E489 PolarHBondContact O-N 3.01Å; E489-N491 HydrophobicContact CB-CB 4.14Å; E489-N491 PolarHBondContact O-N 3.37Å
490H88.9Confident92.2Very high161 Ų16160.4 Ų60.475%0.74531%0.314SS*.  trans49.834.7-170-64.3-65000113.1Q486 L487 P492Q486-H490 VanDerWaalsContact O-CA 3.24Å; Q486-H490 WeakPolarHBondContact O-CA 3.42Å; Q486-H490 PolarHBondContact O-N 3.31Å; L487-H490 PolarHBondContact O-CE1 3.34Å; H490-P492 WeakPolarHBondContact O-CD 3.2Å
491N89.7Confident91.8Very high32 Ų3261.8 Ų61.817%0.17132%0.32CS..  trans-111102-176.4-173.20.7000110.9Q486 E489 R493 L494Q486-N491 WeakPolarHBondContact CG-O 3.22Å; Q486-N491 PolarHBondContact O-N 3.44Å; E489-N491 HydrophobicContact CB-CB 4.14Å; E489-N491 PolarHBondContact O-N 3.37Å; N491-R493 PolarHBondContact O-N 3.1Å; N491-R493 VanDerWaalsContact O-N 3.08Å; N491-R493 VanDerWaalsContact OD1-CB 3.23Å; N491-R493 WeakPolarHBondContact OD1-CB 3.42Å; N491-R493 VanDerWaalsContact OD1-CG 3.27Å; N491-R493 WeakPolarHBondContact OD1-CG 3.3Å; N491-R493 PolarHBondContact OD1-N 3.38Å; N491-R493 VanDerWaalsContact OD1-N 3.15Å; N491-L494 HydrophobicContact CB-CD1 4.33Å; N491-L494 HydrophobicContact CB-CG 4.24Å
492P90.1Very high91.5Very high38 Ų3859.6 Ų59.625%0.24733%0.329CS..THydrogen-bonded Turntrans-72.81.1-178.531.5-36.4000113.6I156 A433 H490I156-P492 HydrophobicContact CB-CB 4.25Å; I156-P492 HydrophobicContact CB-CG 4.16Å; I156-P492 HydrophobicContact CG2-CB 3.83Å; I156-P492 HydrophobicContact CG2-CG 3.92Å; A433-P492 HydrophobicContact CB-CB 3.84Å; H490-P492 WeakPolarHBondContact O-CD 3.2Å
493R92.2Very high91.2Very high99 Ų9961.3 Ų61.337%0.37434%0.339SS..THydrogen-bonded Turntrans-90.7-7.2-175.3-53.9171.6-179172.32.3113.5A425 N491 G495 D505 M506 Y507A425-R493 HydrophobicContact CB-CB 4.18Å; A425-R493 HydrophobicContact CB-CG 4.46Å; N491-R493 PolarHBondContact O-N 3.1Å; N491-R493 VanDerWaalsContact O-N 3.08Å; N491-R493 VanDerWaalsContact OD1-CB 3.23Å; N491-R493 WeakPolarHBondContact OD1-CB 3.42Å; N491-R493 VanDerWaalsContact OD1-CG 3.27Å; N491-R493 WeakPolarHBondContact OD1-CG 3.3Å; N491-R493 PolarHBondContact OD1-N 3.38Å; N491-R493 VanDerWaalsContact OD1-N 3.15Å; R493-G495 PolarHBondContact O-N 3.24Å; R493-D505 WeakPolarHBondContact CB-OD1 3.28Å; R493-M506 WeakPolarHBondContact O-CB 3.42Å; R493-M506 WeakPolarHBondContact O-CG 3.32Å; R493-M506 PolarHBondContact O-N 3.48Å; R493-Y507 HydrophobicContact CB-CD2 4.01Å; R493-Y507 VanDerWaalsContact CD-CD2 3.49Å; R493-Y507 HydrophobicContact CG-CD2 3.61Å; R493-Y507 HydrophobicContact CG-CE2 3.91Å
494L93.7Very high90.9Very high3 Ų360.5 Ų60.52%0.01634%0.338CS..BIsolated β-bridgetrans-77.4114.6-176.8-58.6175.9000110.5A429 L482 R485 Q486 N491 N504 D505A429-L494 WeakPolarHBondContact CB-O 3.44Å; L482-L494 HydrophobicContact CD2-CB 4.29Å; R485-L494 HydrophobicContact CB-CD1 3.67Å; Q486-L494 HydrophobicContact CG-CB 3.93Å; Q486-L494 HydrophobicContact CG-CD1 4.43Å; Q486-L494 PolarHBondContact NE2-O 2.84Å; N491-L494 HydrophobicContact CB-CD1 4.33Å; N491-L494 HydrophobicContact CB-CG 4.24Å; L494-N504 CarbonylContact C-O 3.52Å; L494-N504 VanDerWaalsContact CA-O 3.3Å; L494-N504 WeakPolarHBondContact CA-O 3.4Å; L494-N504 HydrophobicContact CB-CB 4.48Å; L494-N504 HydrophobicContact CD2-CB 4.16Å; L494-D505 HydrophobicContact CD2-CB 4.35Å
495G93.6Very high90.9Very high0 Ų059.8 Ų59.80%033%0.327CS..  trans-124.2-176.1-178.800000113.5L482 R493 D497 N504L482-G495 VanDerWaalsContact CD2-O 3.29Å; L482-G495 WeakPolarHBondContact CD2-O 3.44Å; R493-G495 PolarHBondContact O-N 3.24Å; G495-D497 PolarHBondContact O-N 3.25Å; G495-N504 PolarHBondContact N-O 3.3Å; G495-N504 PolarHBondContact O-ND2 3.13Å; G495-N504 VanDerWaalsContact O-ND2 3.13Å
496V93.8Very high90.8Very high2 Ų255.5 Ų55.51%0.01231%0.311CS..  trans-75.1121.3176.9-175.80000109.2G427 P464 L467 A468 L473 T478 L482 C498G427-V496 PolarHBondContact O-N 2.75Å; P464-V496 HydrophobicContact CB-CG2 3.91Å; L467-V496 HydrophobicContact CB-CB 4.5Å; A468-V496 HydrophobicContact CB-CG1 4.06Å; L473-V496 HydrophobicContact CD1-CG1 4.04Å; T478-V496 HydrophobicContact CG2-CG1 4.2Å; T478-V496 HydrophobicContact CG2-CG2 4.38Å; L482-V496 HydrophobicContact CD1-CB 4.39Å; L482-V496 HydrophobicContact CD1-CG2 3.66Å; V496-C498 VanDerWaalsContact C-N 3.34Å; V496-C498 PolarHBondContact O-N 2.99Å
497D92.7Very high90.6Very high13 Ų1357.1 Ų57.17%0.0732%0.317CS..  trans-79.781.4175.3-175.710.3000110.6G495 L499 N500 V501 G502 Q509G495-D497 PolarHBondContact O-N 3.25Å; D497-L499 PolarHBondContact O-N 2.67Å; D497-L499 PolarHBondContact OD1-N 3.41Å; D497-N500 PolarHBondContact O-N 3.5Å; D497-N500 PolarHBondContact OD1-N 3.49Å; D497-N500 WeakPolarHBondContact OD2-CA 3.42Å; D497-V501 PolarHBondContact OD1-N 2.8Å; D497-V501 VanDerWaalsContact OD1-N 3.12Å; D497-V501 PolarHBondContact OD2-N 3.05Å; D497-G502 PolarHBondContact OD2-N 3.18Å; D497-Q509 PolarHBondContact OD1-NE2 2.97Å
498C90.2Very high90.4Very high10 Ų1058.6 Ų58.67%0.06832%0.32CS..THydrogen-bonded Turntrans-67.8-17.3-178.5-580000113.8P59 S471 V496P59-C498 HydrophobicContact CG-CB 3.53Å; S471-C498 WeakPolarHBondContact OG-CA 3.3Å; S471-C498 VanDerWaalsContact OG-CB 3.25Å; S471-C498 WeakPolarHBondContact OG-CB 3.43Å; S471-C498 PolarHBondContact OG-SG 3.47Å; S471-C498 VanDerWaalsContact OG-SG 3.41Å; V496-C498 VanDerWaalsContact C-N 3.34Å; V496-C498 PolarHBondContact O-N 2.99Å
499L88.3Confident90.2Very high93 Ų9355.1 Ų55.149%0.48729%0.294SS..THydrogen-bonded Turntrans-104-2.6-176.2-64.4-180000113P59 D497 V501P59-L499 HydrophobicContact CB-CD2 4.41Å; D497-L499 PolarHBondContact O-N 2.67Å; D497-L499 PolarHBondContact OD1-N 3.41Å; L499-V501 VanDerWaalsContact C-N 3.31Å; L499-V501 HydrophobicContact CB-CG2 3.89Å; L499-V501 PolarHBondContact O-N 2.97Å
500N87.7Confident90.1Very high117 Ų11753.5 Ų53.563%0.62629%0.288SS*.  trans53.444-175.4-65.2-37.5000112.8D497 G502D497-N500 PolarHBondContact O-N 3.5Å; D497-N500 PolarHBondContact OD1-N 3.49Å; D497-N500 WeakPolarHBondContact OD2-CA 3.42Å; N500-G502 PolarHBondContact O-N 3.32Å
501V86.1Confident90.2Very high91 Ų9147.3 Ų47.355%0.55226%0.262SS*.  trans-70.6-23.3175.7-177.80000111.4D497 L499 T503D497-V501 PolarHBondContact OD1-N 2.8Å; D497-V501 VanDerWaalsContact OD1-N 3.12Å; D497-V501 PolarHBondContact OD2-N 3.05Å; L499-V501 VanDerWaalsContact C-N 3.31Å; L499-V501 HydrophobicContact CB-CG2 3.89Å; L499-V501 PolarHBondContact O-N 2.97Å; V501-T503 HydrophobicContact CG1-CG2 4.27Å
502G87Confident90.3Very high72 Ų7246 Ų4674%0.74226%0.255SS*.SBendtrans97.211.2178.400000114.3D497 N500D497-G502 PolarHBondContact OD2-N 3.18Å; N500-G502 PolarHBondContact O-N 3.32Å
503T88Confident90.4Very high38 Ų3845.8 Ų45.823%0.23325%0.25CS..  trans-135.5136.3175.7177.10000110.1V501 D505 Q509V501-T503 HydrophobicContact CG1-CG2 4.27Å; T503-D505 PolarHBondContact OG1-N 2.6Å; T503-Q509 HydrophobicContact CG2-CG 3.75Å; T503-Q509 PolarHBondContact O-NE2 3.35Å
504N89.3Confident90.5Very high42 Ų4241.1 Ų41.123%0.22523%0.233CC..  trans-87.6-7.9176-62.792.6000112.9L482 R485 L494 G495 M506L482-N504 HydrophobicContact CD2-CB 3.94Å; R485-N504 PolarHBondContact NH1-OD1 3.15Å; L494-N504 CarbonylContact C-O 3.52Å; L494-N504 VanDerWaalsContact CA-O 3.3Å; L494-N504 WeakPolarHBondContact CA-O 3.4Å; L494-N504 HydrophobicContact CB-CB 4.48Å; L494-N504 HydrophobicContact CD2-CB 4.16Å; G495-N504 PolarHBondContact N-O 3.3Å; G495-N504 PolarHBondContact O-ND2 3.13Å; G495-N504 VanDerWaalsContact O-ND2 3.13Å; N504-M506 WeakPolarHBondContact O-CE 3.41Å; N504-M506 PolarHBondContact O-N 3.2Å
505D92.9Very high90.5Very high36 Ų3641 Ų4119%0.19323%0.232CC..BIsolated β-bridgetrans-76109.7-179.8-169.4-23000110.8R493 L494 T503 Y507 H508 Q509R493-D505 WeakPolarHBondContact CB-OD1 3.28Å; L494-D505 HydrophobicContact CD2-CB 4.35Å; T503-D505 PolarHBondContact OG1-N 2.6Å; D505-Y507 VanDerWaalsContact C-N 3.29Å; D505-Y507 PolarHBondContact O-N 3.37Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.45Å; D505-Y507 PolarHBondContact OD1-N 3.44Å; D505-H508 HydrophobicContact CB-CB 4.07Å; D505-H508 WeakPolarHBondContact O-CB 3.49Å; D505-H508 PolarHBondContact O-N 3.41Å; D505-Q509 PolarHBondContact O-N 3.43Å; D505-Q509 VanDerWaalsContact O-N 3.08Å
506M92.4Very high90.4Very high1 Ų142.4 Ų42.41%0.00524%0.242CC..Hα-helixtrans-68.2-27.3-176.6-64.7-63.7102.100112.8A425 G426 A429 R493 N504 Q509 N510 V511A425-M506 HydrophobicContact CB-CB 3.86Å; G426-M506 WeakPolarHBondContact O-CG 3.14Å; A429-M506 HydrophobicContact CB-CG 4.15Å; R493-M506 WeakPolarHBondContact O-CB 3.42Å; R493-M506 WeakPolarHBondContact O-CG 3.32Å; R493-M506 PolarHBondContact O-N 3.48Å; N504-M506 WeakPolarHBondContact O-CE 3.41Å; N504-M506 PolarHBondContact O-N 3.2Å; M506-Q509 HydrophobicContact CE-CG 4.29Å; M506-Q509 CarbonylContact O-C 3.59Å; M506-Q509 PolarHBondContact O-N 3.37Å; M506-N510 PolarHBondContact O-N 3.31Å; M506-V511 HydrophobicContact CB-CB 4.19Å; M506-V511 PolarHBondContact O-N 3.46Å; M506-V511 HydrophobicContact SD-CB 3.96Å; M506-V511 HydrophobicContact SD-CG1 4.09Å; M506-V511 HydrophobicContact SD-CG2 4.24Å
507Y89.3Confident90.4Very high42 Ų4242.3 Ų42.317%0.16524%0.242CC..Hα-helixtrans-68.3-39.8173.1-90.1-102.3000111.1V158 V423 A425 R493 D505 Q509 N510 L512V158-Y507 HydrophobicContact CB-CE1 4.42Å; V158-Y507 VanDerWaalsContact CB-OH 3.3Å; V158-Y507 WeakPolarHBondContact CB-OH 3.34Å; V158-Y507 HydrophobicContact CG2-CE1 4.28Å; V158-Y507 WeakPolarHBondContact CG2-OH 3.28Å; V423-Y507 PolarHBondContact O-OH 2.98Å; A425-Y507 HydrophobicContact CB-CD2 3.97Å; A425-Y507 HydrophobicContact CB-CE2 3.84Å; R493-Y507 HydrophobicContact CB-CD2 4.01Å; R493-Y507 VanDerWaalsContact CD-CD2 3.49Å; R493-Y507 HydrophobicContact CG-CD2 3.61Å; R493-Y507 HydrophobicContact CG-CE2 3.91Å; D505-Y507 VanDerWaalsContact C-N 3.29Å; D505-Y507 PolarHBondContact O-N 3.37Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.45Å; D505-Y507 PolarHBondContact OD1-N 3.44Å; Y507-Q509 VanDerWaalsContact C-N 3.3Å; Y507-Q509 PolarHBondContact O-N 2.87Å; Y507-N510 PolarHBondContact O-N 3.22Å; Y507-L512 HydrophobicContact CD1-CD2 3.93Å; Y507-L512 HydrophobicContact CD2-CD2 4.21Å; Y507-L512 HydrophobicContact CE1-CD2 3.79Å; Y507-L512 HydrophobicContact CE2-CD2 4.1Å; Y507-L512 HydrophobicContact CG-CD2 4.14Å
508H88.4Confident90.5Very high139 Ų13942.2 Ų42.264%0.64424%0.241SC*.Hα-helixtrans-65.7-36175.6-171.2-86000111.5D505 N510D505-H508 HydrophobicContact CB-CB 4.07Å; D505-H508 WeakPolarHBondContact O-CB 3.49Å; D505-H508 PolarHBondContact O-N 3.41Å; H508-N510 PolarHBondContact O-N 3.08Å
509Q88.5Confident90.7Very high32 Ų3244.4 Ų44.415%0.1525%0.247CC..Hα-helixtrans-75.1-8172.5-61.9-155.816.200114.2D497 T503 D505 M506 Y507 V511D497-Q509 PolarHBondContact OD1-NE2 2.97Å; T503-Q509 HydrophobicContact CG2-CG 3.75Å; T503-Q509 PolarHBondContact O-NE2 3.35Å; D505-Q509 PolarHBondContact O-N 3.43Å; D505-Q509 VanDerWaalsContact O-N 3.08Å; M506-Q509 HydrophobicContact CE-CG 4.29Å; M506-Q509 CarbonylContact O-C 3.59Å; M506-Q509 PolarHBondContact O-N 3.37Å; Y507-Q509 VanDerWaalsContact C-N 3.3Å; Y507-Q509 PolarHBondContact O-N 2.87Å; Q509-V511 HydrophobicContact CB-CG2 3.84Å; Q509-V511 PolarHBondContact O-N 2.95Å
510N88.4Confident91.1Very high62 Ų6240.6 Ų40.633%0.33223%0.229SC..THydrogen-bonded Turntrans58.630.5-170.6-49.9-84.1000114.1K172 T176 M506 Y507 H508 L512K172-N510 HydrophobicContact CB-CB 4.44Å; K172-N510 HydrophobicContact CD-CB 4.21Å; K172-N510 WeakPolarHBondContact CD-OD1 3.44Å; K172-N510 WeakPolarHBondContact CE-OD1 3.45Å; K172-N510 HydrophobicContact CG-CB 4.36Å; K172-N510 PolarHBondContact NZ-OD1 3.08Å; T176-N510 PolarHBondContact OG1-O 3.44Å; T176-N510 VanDerWaalsContact OG1-O 3.06Å; M506-N510 PolarHBondContact O-N 3.31Å; Y507-N510 PolarHBondContact O-N 3.22Å; H508-N510 PolarHBondContact O-N 3.08Å; N510-L512 PolarHBondContact O-N 2.67Å
511V92.4Very high91.4Very high31 Ų3135.5 Ų35.519%0.18820%0.202CC..  trans-87.291.4174.1179.20000108.2T176 G426 M506 Q509T176-V511 HydrophobicContact CG2-CG1 3.85Å; G426-V511 PolarHBondContact N-O 3.35Å; M506-V511 HydrophobicContact CB-CB 4.19Å; M506-V511 PolarHBondContact O-N 3.46Å; M506-V511 HydrophobicContact SD-CB 3.96Å; M506-V511 HydrophobicContact SD-CG1 4.09Å; M506-V511 HydrophobicContact SD-CG2 4.24Å; Q509-V511 HydrophobicContact CB-CG2 3.84Å; Q509-V511 PolarHBondContact O-N 2.95Å
512L91.8Very high91.9Very high4 Ų431.6 Ų31.62%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-117.6137.3-174.2-59.3176.5000110.4F160 T173 T176 V423 Y507 N510F160-L512 HydrophobicContact CE1-CD1 3.77Å; F160-L512 HydrophobicContact CE2-CD1 4.37Å; F160-L512 HydrophobicContact CZ-CD1 3.71Å; T173-L512 HydrophobicContact CG2-CB 4.39Å; T176-L512 WeakPolarHBondContact CB-O 3.42Å; T176-L512 WeakPolarHBondContact CG2-O 3.36Å; T176-L512 PolarHBondContact OG1-N 2.73Å; V423-L512 HydrophobicContact CG2-CD1 4.47Å; V423-L512 HydrophobicContact CG2-CD2 4.44Å; Y507-L512 HydrophobicContact CD1-CD2 3.93Å; Y507-L512 HydrophobicContact CD2-CD2 4.21Å; Y507-L512 HydrophobicContact CE1-CD2 3.79Å; Y507-L512 HydrophobicContact CE2-CD2 4.1Å; Y507-L512 HydrophobicContact CG-CD2 4.14Å; N510-L512 PolarHBondContact O-N 2.67Å
513E92.2Very high92.3Very high34 Ų3431.6 Ų31.616%0.15916%0.159CC..EExtended strand (participates in β ladder)trans-123.9156.3173.8-66.8-173.3-130.600110.2V423 I424 G426 K518V423-E513 CarbonylContact C-O 3.45Å; V423-E513 WeakPolarHBondContact CA-O 3.46Å; I424-E513 PolarHBondContact N-O 2.82Å; I424-E513 PolarHBondContact O-N 2.73Å; G426-E513 WeakPolarHBondContact CA-OE1 3.45Å; E513-K518 VanDerWaalsContact CD-CE 3.41Å; E513-K518 VanDerWaalsContact CD-NZ 3.34Å; E513-K518 IonicContact OE1-NZ 3.07Å; E513-K518 PolarHBondContact OE1-NZ 3.02Å; E513-K518 WeakPolarHBondContact OE2-CE 3.49Å; E513-K518 IonicContact OE2-NZ 3.07Å; E513-K518 PolarHBondContact OE2-NZ 3.4Å
514T92.8Very high92.7Very high2 Ų231.6 Ų31.61%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-78.3140.4-179.759.70000111.2T173 V413 N416 L417 S516 S517 K518T173-T514 HydrophobicContact CG2-CG2 4.38Å; V413-T514 HydrophobicContact CG1-CG2 4.03Å; N416-T514 HydrophobicContact CB-CG2 4.14Å; L417-T514 HydrophobicContact CD2-CG2 3.72Å; L417-T514 HydrophobicContact CG-CG2 3.79Å; T514-S516 VanDerWaalsContact C-N 3.27Å; T514-S516 PolarHBondContact O-N 2.97Å; T514-S517 PolarHBondContact O-N 3.46Å; T514-S517 WeakPolarHBondContact OG1-CB 3.49Å; T514-S517 PolarHBondContact OG1-N 3.1Å; T514-K518 PolarHBondContact O-N 2.89Å
515L93.8Very high93.1Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-58.1-43175.517266.7000111.3L153 R422 I424 S517 K518 R519L153-L515 HydrophobicContact CB-CD1 3.83Å; R422-L515 HydrophobicContact CB-CB 3.99Å; R422-L515 HydrophobicContact CB-CD2 3.85Å; R422-L515 HydrophobicContact CG-CD2 4.47Å; R422-L515 VanDerWaalsContact CZ-CD2 3.43Å; R422-L515 PolarHBondContact O-N 3.11Å; R422-L515 VanDerWaalsContact O-N 3.12Å; I424-L515 HydrophobicContact CD1-CB 4.17Å; I424-L515 HydrophobicContact CD1-CD1 3.36Å; I424-L515 HydrophobicContact CD1-CG 4.36Å; I424-L515 HydrophobicContact CG1-CB 4.45Å; I424-L515 HydrophobicContact CG1-CD1 4.3Å; L515-S517 VanDerWaalsContact C-N 3.26Å; L515-S517 PolarHBondContact O-N 3.24Å; L515-K518 PolarHBondContact O-N 3.01Å; L515-R519 HydrophobicContact CD1-CG 3.82Å; L515-R519 HydrophobicContact CG-CG 4.16Å; L515-R519 WeakPolarHBondContact O-CB 3.35Å; L515-R519 VanDerWaalsContact O-CG 3.28Å; L515-R519 WeakPolarHBondContact O-CG 3.48Å; L515-R519 PolarHBondContact O-N 3.1Å
516S92.8Very high93.2Very high29 Ų2928.3 Ų28.320%0.20314%0.14CC..Hα-helixtrans-56.9-40179.4-460000112T514 A520T514-S516 VanDerWaalsContact C-N 3.27Å; T514-S516 PolarHBondContact O-N 2.97Å; S516-A520 WeakPolarHBondContact O-CB 3.32Å; S516-A520 PolarHBondContact O-N 3.48Å
517S93.9Very high93.4Very high1 Ų134.2 Ų34.21%0.00717%0.168CC..Hα-helixtrans-62.6-54.2177.5-1790000111.9T514 L515 R519 A520 Q521T514-S517 PolarHBondContact O-N 3.46Å; T514-S517 WeakPolarHBondContact OG1-CB 3.49Å; T514-S517 PolarHBondContact OG1-N 3.1Å; L515-S517 VanDerWaalsContact C-N 3.26Å; L515-S517 PolarHBondContact O-N 3.24Å; S517-R519 VanDerWaalsContact C-N 3.34Å; S517-R519 PolarHBondContact O-N 3.45Å; S517-A520 PolarHBondContact O-N 2.98Å; S517-Q521 VanDerWaalsContact O-CG 3.31Å; S517-Q521 WeakPolarHBondContact O-CG 3.34Å; S517-Q521 PolarHBondContact O-N 3.19Å; S517-Q521 PolarHBondContact OG-NE2 2.89Å
518K94.4Very high93.7Very high11 Ų1132.9 Ų32.95%0.04816%0.164CC..Hα-helixtrans-62.4-40.1-178.8-69.5-62.3-172.4-166.90112.9L153 C430 E431 E513 T514 L515 Q521 I522L153-K518 HydrophobicContact CD1-CB 4.21Å; C430-K518 WeakPolarHBondContact SG-CE 3.02Å; E431-K518 VanDerWaalsContact OE1-CE 3.31Å; E431-K518 WeakPolarHBondContact OE1-CE 3.45Å; E431-K518 IonicContact OE1-NZ 2.79Å; E431-K518 PolarHBondContact OE1-NZ 3.25Å; E513-K518 VanDerWaalsContact CD-CE 3.41Å; E513-K518 VanDerWaalsContact CD-NZ 3.34Å; E513-K518 IonicContact OE1-NZ 3.07Å; E513-K518 PolarHBondContact OE1-NZ 3.02Å; E513-K518 WeakPolarHBondContact OE2-CE 3.49Å; E513-K518 IonicContact OE2-NZ 3.07Å; E513-K518 PolarHBondContact OE2-NZ 3.4Å; T514-K518 PolarHBondContact O-N 2.89Å; L515-K518 PolarHBondContact O-N 3.01Å; K518-Q521 PolarHBondContact O-N 3.37Å; K518-I522 PolarHBondContact O-N 3.48Å; K518-I522 VanDerWaalsContact O-N 3.13Å
519R95Very high94Very high55 Ų5526.2 Ų26.221%0.20813%0.133CC..Hα-helixtrans-60.1-48.5175.5-70.517971.5136.114.7111.5L150 L153 E154 L515 S517 I522 M523L150-R519 HydrophobicContact CD2-CB 3.72Å; L150-R519 HydrophobicContact CD2-CG 3.69Å; L153-R519 HydrophobicContact CD1-CG 4.27Å; E154-R519 VanDerWaalsContact CG-NH1 3.28Å; E154-R519 IonicContact OE1-CZ 2.8Å; E154-R519 IonicContact OE1-NH1 3.97Å; E154-R519 PolarHBondContact OE1-NH1 2.92Å; E154-R519 IonicContact OE1-NH2 2.9Å; E154-R519 PolarHBondContact OE1-NH2 3.33Å; L515-R519 HydrophobicContact CD1-CG 3.82Å; L515-R519 HydrophobicContact CG-CG 4.16Å; L515-R519 WeakPolarHBondContact O-CB 3.35Å; L515-R519 VanDerWaalsContact O-CG 3.28Å; L515-R519 WeakPolarHBondContact O-CG 3.48Å; L515-R519 PolarHBondContact O-N 3.1Å; S517-R519 VanDerWaalsContact C-N 3.34Å; S517-R519 PolarHBondContact O-N 3.45Å; R519-I522 PolarHBondContact O-N 3Å; R519-M523 HydrophobicContact CB-CE 4.33Å; R519-M523 WeakPolarHBondContact O-CB 3.39Å; R519-M523 WeakPolarHBondContact O-CE 3.16Å; R519-M523 VanDerWaalsContact O-CG 3.29Å; R519-M523 WeakPolarHBondContact O-CG 3.33Å; R519-M523 PolarHBondContact O-N 3.25Å
520A95.2Very high94.4Very high13 Ų1327 Ų2711%0.10714%0.136CC..Hα-helixtrans-61.4-46.3179.200000111.5I107 S516 S517 I522 M523 L524I107-A520 HydrophobicContact CD1-CB 3.97Å; I107-A520 HydrophobicContact CG1-CB 3.64Å; S516-A520 WeakPolarHBondContact O-CB 3.32Å; S516-A520 PolarHBondContact O-N 3.48Å; S517-A520 PolarHBondContact O-N 2.98Å; A520-I522 PolarHBondContact O-N 2.66Å; A520-M523 PolarHBondContact O-N 3.28Å; A520-L524 WeakPolarHBondContact O-CB 3.47Å; A520-L524 VanDerWaalsContact O-CG 3.29Å; A520-L524 WeakPolarHBondContact O-CG 3.43Å; A520-L524 PolarHBondContact O-N 3.34Å
521Q95.7Very high94.7Very high10 Ų1028.3 Ų28.35%0.04714%0.141CC..Hα-helixtrans-56.1-48.9178.9-69.4176.648.200111.9Q103 V114 S517 K518 A525Q103-Q521 HydrophobicContact CG-CG 4.46Å; V114-Q521 HydrophobicContact CB-CB 4.31Å; V114-Q521 HydrophobicContact CB-CG 4.18Å; V114-Q521 HydrophobicContact CG2-CB 4.38Å; V114-Q521 WeakPolarHBondContact CG2-O 3.23Å; S517-Q521 VanDerWaalsContact O-CG 3.31Å; S517-Q521 WeakPolarHBondContact O-CG 3.34Å; S517-Q521 PolarHBondContact O-N 3.19Å; S517-Q521 PolarHBondContact OG-NE2 2.89Å; K518-Q521 PolarHBondContact O-N 3.37Å; Q521-A525 WeakPolarHBondContact O-CB 3.27Å; Q521-A525 PolarHBondContact O-N 2.95Å
522I95.7Very high94.8Very high9 Ų926.9 Ų26.95%0.04613%0.132CC..Hα-helixtrans-66.1-45179.9-72.7154000111.5L117 A146 C149 L153 F456 K518 R519 A520 V526L117-I522 HydrophobicContact CD2-CG1 3.87Å; A146-I522 HydrophobicContact CB-CG2 4.24Å; C149-I522 WeakPolarHBondContact SG-CD1 3.43Å; L153-I522 HydrophobicContact CD1-CD1 3.61Å; F456-I522 HydrophobicContact CZ-CG2 4.1Å; K518-I522 PolarHBondContact O-N 3.48Å; K518-I522 VanDerWaalsContact O-N 3.13Å; R519-I522 PolarHBondContact O-N 3Å; A520-I522 PolarHBondContact O-N 2.66Å; I522-V526 HydrophobicContact CG2-CG2 4.45Å; I522-V526 WeakPolarHBondContact O-CB 3.43Å; I522-V526 WeakPolarHBondContact O-CG2 3.39Å; I522-V526 PolarHBondContact O-N 2.96Å
523M95.9Very high94.9Very high72 Ų7226.9 Ų26.936%0.35513%0.132SC..Hα-helixtrans-62.2-48.6179.9-73.1-172.9-59.800111.9L150 R519 A520 V526 Q527L150-M523 HydrophobicContact CD1-CG 3.72Å; L150-M523 HydrophobicContact CD1-SD 3.8Å; L150-M523 HydrophobicContact CD2-CG 4.06Å; L150-M523 HydrophobicContact CD2-SD 4.43Å; L150-M523 HydrophobicContact CG-CG 4.42Å; R519-M523 HydrophobicContact CB-CE 4.33Å; R519-M523 WeakPolarHBondContact O-CB 3.39Å; R519-M523 WeakPolarHBondContact O-CE 3.16Å; R519-M523 VanDerWaalsContact O-CG 3.29Å; R519-M523 WeakPolarHBondContact O-CG 3.33Å; R519-M523 PolarHBondContact O-N 3.25Å; A520-M523 PolarHBondContact O-N 3.28Å; M523-V526 PolarHBondContact O-N 3.4Å; M523-Q527 WeakPolarHBondContact O-CB 3.37Å; M523-Q527 VanDerWaalsContact O-CG 3.24Å; M523-Q527 WeakPolarHBondContact O-CG 3.29Å; M523-Q527 PolarHBondContact O-N 3.36Å
524L96.5Very high94.9Very high39 Ų3931.1 Ų31.120%0.20415%0.15CC..Hα-helixtrans-66.6-41.8-178.1-69.1177.2000111.5L99 Q103 V114 A520 V526 Q527 L528L99-L524 HydrophobicContact CD1-CB 3.53Å; Q103-L524 HydrophobicContact CB-CD1 4.24Å; V114-L524 HydrophobicContact CG2-CB 4.21Å; A520-L524 WeakPolarHBondContact O-CB 3.47Å; A520-L524 VanDerWaalsContact O-CG 3.29Å; A520-L524 WeakPolarHBondContact O-CG 3.43Å; A520-L524 PolarHBondContact O-N 3.34Å; L524-V526 PolarHBondContact O-N 3.29Å; L524-Q527 PolarHBondContact O-N 3.02Å; L524-L528 WeakPolarHBondContact O-CB 3.44Å; L524-L528 PolarHBondContact O-N 3.15Å
525A96.4Very high94.9Very high0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-60.5-45.1175.900000111.8V114 L117 A118 L121 Q521 L528 C529V114-A525 HydrophobicContact CG2-CB 4.28Å; L117-A525 HydrophobicContact CB-CB 4.34Å; L117-A525 HydrophobicContact CD2-CB 3.95Å; L117-A525 HydrophobicContact CG-CB 4.01Å; A118-A525 HydrophobicContact CB-CB 4.11Å; L121-A525 HydrophobicContact CD1-CB 4.11Å; Q521-A525 WeakPolarHBondContact O-CB 3.27Å; Q521-A525 PolarHBondContact O-N 2.95Å; A525-L528 PolarHBondContact O-N 2.99Å; A525-C529 WeakPolarHBondContact O-CB 3.4Å; A525-C529 PolarHBondContact O-N 2.74Å; A525-C529 PolarHBondContact O-SG 3.03Å
526V96.4Very high94.8Very high8 Ų838.2 Ų38.25%0.04819%0.187CC..Hα-helixtrans-65.9-44.6178.7170.90000111.8L121 A146 F456 I522 M523 L524 L528 C529 K530L121-V526 HydrophobicContact CD1-CG2 4.21Å; A146-V526 HydrophobicContact CB-CB 4.3Å; A146-V526 HydrophobicContact CB-CG1 4.11Å; A146-V526 HydrophobicContact CB-CG2 3.74Å; F456-V526 HydrophobicContact CE2-CG2 3.5Å; F456-V526 VanDerWaalsContact CE2-CG2 3.5Å; F456-V526 HydrophobicContact CZ-CG2 4.1Å; I522-V526 HydrophobicContact CG2-CG2 4.45Å; I522-V526 WeakPolarHBondContact O-CB 3.43Å; I522-V526 WeakPolarHBondContact O-CG2 3.39Å; I522-V526 PolarHBondContact O-N 2.96Å; M523-V526 PolarHBondContact O-N 3.4Å; L524-V526 PolarHBondContact O-N 3.29Å; V526-L528 VanDerWaalsContact C-N 3.33Å; V526-L528 PolarHBondContact O-N 2.91Å; V526-C529 PolarHBondContact O-N 3.46Å; V526-K530 WeakPolarHBondContact O-CB 3.33Å; V526-K530 PolarHBondContact O-N 3.04Å
527Q95.9Very high94.5Very high125 Ų12538.9 Ų38.958%0.58419%0.189SC*.Hα-helixtrans-61.1-43.1177.7-76.1177.5-4.700111.4M523 L524 K530 M531M523-Q527 WeakPolarHBondContact O-CB 3.37Å; M523-Q527 VanDerWaalsContact O-CG 3.24Å; M523-Q527 WeakPolarHBondContact O-CG 3.29Å; M523-Q527 PolarHBondContact O-N 3.36Å; L524-Q527 PolarHBondContact O-N 3.02Å; Q527-K530 PolarHBondContact O-N 2.81Å; Q527-M531 PolarHBondContact O-N 3.35Å
528L95.8Very high94.1Very high14 Ų1440.4 Ų40.47%0.07320%0.196CC..Hα-helixtrans-63.3-46.9175.1-178.866.8000111.2L95 L96 L99 A118 L524 A525 V526 K530 M531 I532L95-L528 HydrophobicContact CB-CD1 3.92Å; L96-L528 HydrophobicContact CD2-CD2 3.42Å; L96-L528 VanDerWaalsContact CD2-CD2 3.42Å; L96-L528 HydrophobicContact CG-CD2 4.22Å; L99-L528 HydrophobicContact CB-CD2 3.96Å; L99-L528 HydrophobicContact CD1-CB 4.44Å; L99-L528 HydrophobicContact CD2-CB 4.42Å; L99-L528 HydrophobicContact CD2-CD2 3.43Å; L99-L528 VanDerWaalsContact CD2-CD2 3.43Å; L99-L528 HydrophobicContact CG-CD2 4.18Å; A118-L528 HydrophobicContact CB-CD2 4.43Å; L524-L528 WeakPolarHBondContact O-CB 3.44Å; L524-L528 PolarHBondContact O-N 3.15Å; A525-L528 PolarHBondContact O-N 2.99Å; V526-L528 VanDerWaalsContact C-N 3.33Å; V526-L528 PolarHBondContact O-N 2.91Å; L528-K530 VanDerWaalsContact C-N 3.29Å; L528-K530 PolarHBondContact O-N 3.01Å; L528-M531 HydrophobicContact CD1-CE 3.54Å; L528-M531 WeakPolarHBondContact O-CB 3.37Å; L528-M531 PolarHBondContact O-N 3.06Å; L528-I532 HydrophobicContact CD1-CD1 4.02Å; L528-I532 HydrophobicContact CD1-CG1 4.23Å; L528-I532 HydrophobicContact CD2-CD1 4.06Å; L528-I532 HydrophobicContact CG-CD1 3.72Å; L528-I532 HydrophobicContact CG-CG1 4.3Å; L528-I532 WeakPolarHBondContact O-CG1 3.48Å; L528-I532 PolarHBondContact O-N 3.38Å
529C95.4Very high93.6Very high0 Ų047.8 Ų47.80%022%0.224CC..Hα-helixtrans-58.6-42.7178.3-690000111.6L121 L122 A525 V526 M531 I532 L533L121-C529 VanDerWaalsContact CB-SG 3.51Å; L122-C529 HydrophobicContact CD2-CB 4.35Å; A525-C529 WeakPolarHBondContact O-CB 3.4Å; A525-C529 PolarHBondContact O-N 2.74Å; A525-C529 PolarHBondContact O-SG 3.03Å; V526-C529 PolarHBondContact O-N 3.46Å; C529-M531 VanDerWaalsContact C-N 3.29Å; C529-M531 PolarHBondContact O-N 2.87Å; C529-I532 PolarHBondContact O-N 3.11Å; C529-L533 WeakPolarHBondContact O-CB 3.23Å; C529-L533 VanDerWaalsContact O-CG 3.28Å; C529-L533 WeakPolarHBondContact O-CG 3.39Å; C529-L533 PolarHBondContact O-N 2.86Å
530K95.2Very high92.8Very high49 Ų4947.8 Ų47.821%0.21323%0.23CC..Hα-helixtrans-59.9-38.3174.6177.4168.2-167.61760112.1A139 E143 V526 Q527 L528 K534A139-K530 HydrophobicContact CB-CB 4.18Å; A139-K530 HydrophobicContact CB-CG 3.99Å; E143-K530 IonicContact OE2-NZ 3.68Å; E143-K530 PolarHBondContact OE2-NZ 3.4Å; V526-K530 WeakPolarHBondContact O-CB 3.33Å; V526-K530 PolarHBondContact O-N 3.04Å; Q527-K530 PolarHBondContact O-N 2.81Å; L528-K530 VanDerWaalsContact C-N 3.29Å; L528-K530 PolarHBondContact O-N 3.01Å; K530-K534 WeakPolarHBondContact O-CD 3.49Å; K530-K534 VanDerWaalsContact O-CG 3.25Å; K530-K534 WeakPolarHBondContact O-CG 3.3Å; K530-K534 PolarHBondContact O-N 2.86Å
531M95.3Very high91.7Very high88 Ų8849 Ų4943%0.43324%0.238SC..Hα-helixtrans-68.3-47.8175.9-174.1173.661.900111.3L95 Q527 L528 C529 L533 K534L95-M531 HydrophobicContact CD1-CE 3.73Å; L95-M531 HydrophobicContact CD2-CE 3.87Å; L95-M531 HydrophobicContact CG-CE 4.28Å; Q527-M531 PolarHBondContact O-N 3.35Å; L528-M531 HydrophobicContact CD1-CE 3.54Å; L528-M531 WeakPolarHBondContact O-CB 3.37Å; L528-M531 PolarHBondContact O-N 3.06Å; C529-M531 VanDerWaalsContact C-N 3.29Å; C529-M531 PolarHBondContact O-N 2.87Å; M531-L533 PolarHBondContact O-N 3.42Å; M531-K534 WeakPolarHBondContact O-CB 3.15Å; M531-K534 PolarHBondContact O-N 2.93Å
532I94.9Very high90.2Very high2 Ų251.4 Ų51.41%0.0125%0.253CS..Hα-helixtrans-63.1-43-178.7-65.2170.8000111.3H42 I92 L95 L122 L528 C529 K534 I535H42-I532 HydrophobicContact CB-CG2 3.92Å; I92-I532 HydrophobicContact CD1-CG1 4.19Å; I92-I532 HydrophobicContact CD1-CG2 4.18Å; I92-I532 HydrophobicContact CG2-CD1 3.78Å; I92-I532 HydrophobicContact CG2-CG1 4.32Å; I92-I532 HydrophobicContact CG2-CG2 4.44Å; L95-I532 HydrophobicContact CD1-CG1 4.43Å; L122-I532 HydrophobicContact CD1-CD1 3.73Å; L122-I532 HydrophobicContact CD1-CG2 4.46Å; L122-I532 HydrophobicContact CD2-CB 4.21Å; L122-I532 HydrophobicContact CD2-CG2 3.94Å; L528-I532 HydrophobicContact CD1-CD1 4.02Å; L528-I532 HydrophobicContact CD1-CG1 4.23Å; L528-I532 HydrophobicContact CD2-CD1 4.06Å; L528-I532 HydrophobicContact CG-CD1 3.72Å; L528-I532 HydrophobicContact CG-CG1 4.3Å; L528-I532 WeakPolarHBondContact O-CG1 3.48Å; L528-I532 PolarHBondContact O-N 3.38Å; C529-I532 PolarHBondContact O-N 3.11Å; I532-K534 PolarHBondContact O-N 3.4Å; I532-I535 PolarHBondContact O-N 3.37Å; I532-I535 VanDerWaalsContact O-N 3.11Å
533L93.6Very high88.3Confident4 Ų456.3 Ų56.32%0.02128%0.279CS..Hα-helixtrans-66.9-20.3178.9-70.9174.2000113.5H39 L122 A125 L129 P135 I138 A139 C529 M531 I535H39-L533 PolarHBondContact CE1-O 3.22Å; H39-L533 VanDerWaalsContact CE1-O 3.22Å; L122-L533 HydrophobicContact CD2-CG 4.44Å; A125-L533 HydrophobicContact CB-CD1 4.29Å; A125-L533 HydrophobicContact CB-CD2 4.05Å; L129-L533 HydrophobicContact CD1-CD2 4.45Å; P135-L533 HydrophobicContact CB-CB 4.25Å; P135-L533 VanDerWaalsContact CB-O 3.22Å; P135-L533 WeakPolarHBondContact CB-O 3.47Å; I138-L533 HydrophobicContact CB-CD1 4.34Å; I138-L533 HydrophobicContact CG2-CD1 4Å; A139-L533 HydrophobicContact CB-CD1 4.3Å; C529-L533 WeakPolarHBondContact O-CB 3.23Å; C529-L533 VanDerWaalsContact O-CG 3.28Å; C529-L533 WeakPolarHBondContact O-CG 3.39Å; C529-L533 PolarHBondContact O-N 2.86Å; M531-L533 PolarHBondContact O-N 3.42Å; L533-I535 VanDerWaalsContact C-N 3.33Å
534K93.2Very high86.1Confident122 Ų12260.1 Ų60.153%0.5330%0.296SS..THydrogen-bonded Turntrans-78.9-15.7174.3-76.7173.5176.9-171.50113.4K530 M531 I532 D536K530-K534 WeakPolarHBondContact O-CD 3.49Å; K530-K534 VanDerWaalsContact O-CG 3.25Å; K530-K534 WeakPolarHBondContact O-CG 3.3Å; K530-K534 PolarHBondContact O-N 2.86Å; M531-K534 WeakPolarHBondContact O-CB 3.15Å; M531-K534 PolarHBondContact O-N 2.93Å; I532-K534 PolarHBondContact O-N 3.4Å; K534-D536 PolarHBondContact O-N 3.33Å
535I92.5Very high83.4Confident56 Ų5665.5 Ų65.529%0.28732%0.324SS..  trans-87.1106.9-177.8-56.5168.2000108.7H39 H42 I92 I532 L533H39-I535 PolarHBondContact CE1-O 3.33Å; H39-I535 PolarHBondContact ND1-O 2.95Å; H42-I535 WeakPolarHBondContact NE2-CG2 3.37Å; I92-I535 HydrophobicContact CD1-CD1 4.17Å; I532-I535 PolarHBondContact O-N 3.37Å; I532-I535 VanDerWaalsContact O-N 3.11Å; L533-I535 VanDerWaalsContact C-N 3.33Å
536D90.7Very high82.8Confident95 Ų9568.8 Ų68.851%0.50834%0.34SS..  trans-112.3-14.9-17968.7-26.4000113.9C34 G35 K534C34-D536 CarbonylContact C-O 3.47Å; C34-D536 VanDerWaalsContact CA-O 3.32Å; C34-D536 WeakPolarHBondContact CA-O 3.26Å; G35-D536 PolarHBondContact N-O 3.49Å; K534-D536 PolarHBondContact O-N 3.33Å
537D87.8Confident82Confident44 Ų4471.9 Ų71.924%0.23536%0.356CS..EExtended strand (participates in β ladder)trans-129.8117179.1-172.812.9000110.6R32 R539R32-D537 VanDerWaalsContact CG-OD1 3.24Å; R32-D537 WeakPolarHBondContact CG-OD1 3.41Å; R32-D537 IonicContact CZ-OD1 3.01Å; R32-D537 IonicContact CZ-OD2 2.73Å; R32-D537 VanDerWaalsContact CZ-OD2 3.32Å; R32-D537 VanDerWaalsContact NE-CG 3.34Å; R32-D537 IonicContact NE-OD1 2.77Å; R32-D537 PolarHBondContact NE-OD1 3.09Å; R32-D537 IonicContact NE-OD2 3.59Å; R32-D537 PolarHBondContact NE-OD2 3.35Å; R32-D537 VanDerWaalsContact NE-OD2 3.12Å; R32-D537 IonicContact NH2-OD1 3.66Å; R32-D537 IonicContact NH2-OD2 3.72Å; R32-D537 PolarHBondContact NH2-OD2 2.92Å; D537-R539 IonicContact OD1-NE 3.3Å; D537-R539 IonicContact OD2-CZ 3.9Å; D537-R539 IonicContact OD2-NE 3.58Å; D537-R539 PolarHBondContact OD2-NE 3.48Å; D537-R539 IonicContact OD2-NH2 3.16Å; D537-R539 PolarHBondContact OD2-NH2 3.17Å
538I85.1Confident81.3Confident32 Ų3269 Ų6916%0.16434%0.343CS..EExtended strand (participates in β ladder)trans-108.1133.8175.8-45.4163.7000108.4R32 L33 A38 H42 V540R32-I538 VanDerWaalsContact CA-O 3.27Å; R32-I538 WeakPolarHBondContact CA-O 3.4Å; L33-I538 HydrophobicContact CB-CB 4.33Å; L33-I538 HydrophobicContact CB-CD1 3.98Å; L33-I538 HydrophobicContact CB-CG1 4.45Å; L33-I538 HydrophobicContact CD1-CD1 4.02Å; L33-I538 PolarHBondContact N-O 3.47Å; L33-I538 VanDerWaalsContact N-O 3.11Å; L33-I538 PolarHBondContact O-N 3.27Å; A38-I538 HydrophobicContact CB-CD1 3.9Å; A38-I538 HydrophobicContact CB-CG1 4.07Å; H42-I538 WeakPolarHBondContact CE1-CD1 3.19Å; H42-I538 VanDerWaalsContact CE1-CG1 3.4Å; H42-I538 WeakPolarHBondContact CE1-CG1 3.44Å; H42-I538 WeakPolarHBondContact NE2-CD1 3.5Å; I538-V540 HydrophobicContact CG2-CG2 3.84Å
539R83.6Confident80.4Confident167 Ų16772.2 Ų72.263%0.6336%0.359SS*.EExtended strand (participates in β ladder)trans-126.4113.6172.4-61.4-179-171.7175.16109.3K31 R32 D537K31-R539 WeakPolarHBondContact O-CA 3.23Å; R32-R539 HydrophobicContact CG-CG 4.28Å; D537-R539 IonicContact OD1-NE 3.3Å; D537-R539 IonicContact OD2-CZ 3.9Å; D537-R539 IonicContact OD2-NE 3.58Å; D537-R539 PolarHBondContact OD2-NE 3.48Å; D537-R539 IonicContact OD2-NH2 3.16Å; D537-R539 PolarHBondContact OD2-NH2 3.17Å
540V78.1Confident79.5Confident55 Ų5576.8 Ų76.833%0.33338%0.381SS..EExtended strand (participates in β ladder)trans-111.1128.1179-174.80000109.4K30 K31 I538K30-V540 VanDerWaalsContact CA-O 3.32Å; K30-V540 WeakPolarHBondContact CA-O 3.33Å; K31-V540 PolarHBondContact N-O 3.13Å; K31-V540 PolarHBondContact O-N 2.83Å; I538-V540 HydrophobicContact CG2-CG2 3.84Å
541S72.3Confident78.4Confident39 Ų3978.6 Ų78.627%0.27339%0.393SS..EExtended strand (participates in β ladder)trans-67.5129.5169-21.70000109.2D543 E544S541-D543 PolarHBondContact O-N 3.31Å; S541-E544 WeakPolarHBondContact CB-OE2 3.42Å; S541-E544 PolarHBondContact O-N 3.35Å; S541-E544 PolarHBondContact OG-OE2 3.44Å
542V63.2Low77.2Confident59 Ų5977.9 Ų77.936%0.35839%0.39SS..G310 helixtrans-67-17.9174.9173.30000111.5K29 K31 E544K29-V542 VanDerWaalsContact C-CG2 3.48Å; K29-V542 HydrophobicContact CB-CB 4.43Å; K29-V542 WeakPolarHBondContact O-CB 3.36Å; K29-V542 WeakPolarHBondContact O-CG2 3.46Å; K29-V542 PolarHBondContact O-N 3.15Å; K31-V542 HydrophobicContact CG-CG2 4.31Å; V542-E544 PolarHBondContact O-N 2.71Å
543D56.6Low75.9Confident112 Ų11283.8 Ų83.860%0.59942%0.419SS*.G310 helixtrans-79.20.2177.2-61.9-24.2000113.3K29 S541K29-D543 IonicContact NZ-OD1 3.55Å; K29-D543 PolarHBondContact NZ-OD1 3.32Å; K29-D543 VanDerWaalsContact NZ-OD1 3.08Å; K29-D543 IonicContact NZ-OD2 2.66Å; K29-D543 PolarHBondContact NZ-OD2 3.13Å; S541-D543 PolarHBondContact O-N 3.31Å
544E50.1Low74.4Confident153 Ų15390.4 Ų90.472%0.71545%0.452SS*.G310 helixtrans-115.713-177.6-68.5174.3146.300114.2S541 V542S541-E544 WeakPolarHBondContact CB-OE2 3.42Å; S541-E544 PolarHBondContact O-N 3.35Å; S541-E544 PolarHBondContact OG-OE2 3.44Å; V542-E544 PolarHBondContact O-N 2.71Å
545L39.8Very low72.7Confident151 Ų15187.5 Ų87.579%0.79145%0.445SS*.  trans-114.40169.1-73163.3000108.8

Retrieved 545 of 545 residues in 144.1 ms (Link to these results)

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