A0A077Z289_TRITR Loading...

alpha-1,2-Mannosidase

AlphaFold DB , UniProt , Accession A0A077Z289, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 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
1M41.3Very low42.6Very low234 Ų234142.3 Ų142.3100%1.15375%0.748SS**  0190-96.6-173-8300114.7
2K45.3Very low42.4Very low212 Ų212147.6 Ų147.692%0.92275%0.751SS**  trans-97.76.8-173.9-88.2-173.3175.2-176.90116.4
3Q44.8Very low42.8Very low185 Ų185143.5 Ų143.586%0.86474%0.743SS**SBendtrans-116-2.2-175.5-82.1179.4-16.400115.6
4S44.5Very low43.4Very low96 Ų96142.3 Ų142.367%0.67174%0.738SS**SBendtrans-96.3-3.6-174.3-54.50000115.1
5F41.6Very low44.5Very low180 Ų180136.1 Ų136.179%0.78971%0.711SS**SBendtrans-88.5-13.2-176.2-102.9-85.9000115.1
6V44.3Very low46.2Very low109 Ų109129.8 Ų129.866%0.66168%0.676SS**SBendtrans-86.1-19.3-177.1-175.80000112.4
7A40.6Very low48.2Very low75 Ų75125.6 Ų125.662%0.6266%0.659SS**Hα-helixtrans-78.3-21.7-178.600000114.2
8V40.6Very low50.1Low99 Ų99127.2 Ų127.260%0.666%0.66SS**Hα-helixtrans-80-19.2-176.6-177.90000112.4
9I42.6Very low52Low126 Ų126124.3 Ų124.365%0.64665%0.652SS**Hα-helixtrans-84.3-22.6-178.7-60.6177.8000111.9
10I42Very low53.9Low119 Ų119121.2 Ų121.261%0.6164%0.635SS**Hα-helixtrans-81.3-27.1-175.1-58.2175.2000111.9W12 C13I10-W12 VanDerWaalsContact C-N 3.28Å; I10-W12 PolarHBondContact O-N 3.23Å; I10-C13 WeakPolarHBondContact O-CB 3.29Å; I10-C13 PolarHBondContact O-N 3.09Å
11D41.4Very low55.8Low130 Ų130115.8 Ų115.870%0.69561%0.607SS**THydrogen-bonded Turntrans-76.2-18.2-178.9-135.110.4000113C13D11-C13 VanDerWaalsContact C-N 3.33Å
12W39.8Very low58.3Low206 Ų206105.8 Ų105.878%0.7856%0.56SS**THydrogen-bonded Turntrans-79.4-13.9171.3-79.766.3000113.3I10 N14I10-W12 VanDerWaalsContact C-N 3.28Å; I10-W12 PolarHBondContact O-N 3.23Å; W12-N14 VanDerWaalsContact C-N 3.31Å; W12-N14 PolarHBondContact O-N 3.21Å
13C47.2Very low60.8Low95 Ų95100.8 Ų100.864%0.64254%0.543SS*.SBendtrans-73.6-20.9178-80.30000113I10 D11 C15I10-C13 WeakPolarHBondContact O-CB 3.29Å; I10-C13 PolarHBondContact O-N 3.09Å; D11-C13 VanDerWaalsContact C-N 3.33Å; C13-C15 PolarHBondContact O-N 2.85Å
14N51.2Low63.3Low126 Ų12693.2 Ų93.267%0.67451%0.508SS*.  trans-81.959.7166.7-75.6-30.2000110W12 F16W12-N14 VanDerWaalsContact C-N 3.31Å; W12-N14 PolarHBondContact O-N 3.21Å; N14-F16 PolarHBondContact O-N 2.81Å
15C59.8Low65.8Low49 Ų4990.9 Ų90.933%0.33148%0.484SS..  trans-68.2-1.3-168.9-144.80000114.1C13 P376 R380C13-C15 PolarHBondContact O-N 2.85Å; C15-P376 HydrophobicContact CB-CB 3.95Å; C15-P376 HydrophobicContact CB-CG 4.08Å; C15-R380 PolarHBondContact SG-NH2 3.21Å; C15-R380 VanDerWaalsContact SG-NH2 3.39Å
16F72.1Confident68.5Low35 Ų3585.7 Ų85.715%0.15447%0.465CS..SBendtrans-146.386.1177.4-141.2-87.1000111.7N14 I20 C21 F24 L379 A383 F430N14-F16 PolarHBondContact O-N 2.81Å; F16-I20 HydrophobicContact CD1-CB 4Å; F16-I20 HydrophobicContact CD1-CG2 3.96Å; F16-I20 HydrophobicContact CE1-CB 3.86Å; F16-I20 HydrophobicContact CE1-CG2 3.4Å; F16-I20 HydrophobicContact CE2-CG2 4.04Å; F16-I20 HydrophobicContact CZ-CB 4.38Å; F16-I20 HydrophobicContact CZ-CG2 3.45Å; F16-I20 VanDerWaalsContact CZ-CG2 3.45Å; F16-C21 WeakPolarHBondContact CD1-SG 3.48Å; F16-F24 HydrophobicContact CE1-CD2 4.02Å; F16-F24 HydrophobicContact CE1-CE2 4.47Å; F16-F24 AromaticContact CZ-CD2 3.61Å; F16-F24 HydrophobicContact CZ-CD2 3.61Å; F16-F24 AromaticContact CZ-CE2 3.69Å; F16-F24 HydrophobicContact CZ-CE2 3.69Å; F16-L379 HydrophobicContact CB-CD1 3.69Å; F16-L379 HydrophobicContact CD1-CB 4.19Å; F16-L379 HydrophobicContact CD1-CD1 3.7Å; F16-L379 HydrophobicContact CD2-CB 3.97Å; F16-L379 HydrophobicContact CE1-CB 4.3Å; F16-L379 HydrophobicContact CE1-CD1 4.4Å; F16-L379 HydrophobicContact CE2-CB 4.12Å; F16-L379 HydrophobicContact CG-CB 3.98Å; F16-L379 HydrophobicContact CG-CD1 3.74Å; F16-L379 HydrophobicContact CZ-CB 4.26Å; F16-A383 HydrophobicContact CE2-CB 4.47Å; F16-A383 HydrophobicContact CZ-CB 4.29Å; F16-F430 AromaticContact CE1-CD1 4Å; F16-F430 HydrophobicContact CE1-CD1 4Å; F16-F430 AromaticContact CE1-CE1 3.59Å; F16-F430 HydrophobicContact CE1-CE1 3.59Å; F16-F430 HydrophobicContact CZ-CD1 4.46Å; F16-F430 AromaticContact CZ-CE1 3.62Å; F16-F430 HydrophobicContact CZ-CE1 3.62Å; F16-F430 HydrophobicContact CZ-CZ 4.44Å
17P79.8Confident71.1Confident60 Ų6083.2 Ų83.239%0.3945%0.445SS..  trans-55.4151.7179.3-26.233.2000113.5S19 I20 C21P17-S19 PolarHBondContact O-N 2.93Å; P17-S19 VanDerWaalsContact O-N 3.12Å; P17-I20 HydrophobicContact CB-CG1 4.31Å; P17-I20 HydrophobicContact CG-CD1 4.25Å; P17-I20 HydrophobicContact CG-CG1 4.33Å; P17-I20 WeakPolarHBondContact O-CB 3.49Å; P17-I20 PolarHBondContact O-N 3.23Å; P17-C21 PolarHBondContact O-N 3.22Å; P17-C21 VanDerWaalsContact O-N 3.13Å
18F82.2Confident73.9Confident154 Ų15479.7 Ų79.768%0.67542%0.416SS*.Hα-helixtrans-53-35.1176.3179.1-96.8000113I20 C21 S22F18-I20 VanDerWaalsContact C-N 3.34Å; F18-I20 PolarHBondContact O-N 3.29Å; F18-C21 PolarHBondContact O-N 3.25Å; F18-S22 PolarHBondContact O-N 2.67Å
19S86.9Confident76.6Confident72 Ų7278.2 Ų78.250%0.50340%0.401SS..Hα-helixtrans-62.1-39.3175.453.50000112.6P17 S22 N23P17-S19 PolarHBondContact O-N 2.93Å; P17-S19 VanDerWaalsContact O-N 3.12Å; S19-S22 PolarHBondContact O-N 3.31Å; S19-N23 PolarHBondContact O-N 3.29Å; S19-N23 PolarHBondContact O-ND2 3.34Å; S19-N23 PolarHBondContact O-OD1 2.57Å
20I90.6Very high79.3Confident62 Ų6278.4 Ų78.432%0.31840%0.4SS..Hα-helixtrans-69.8-43.4176.9-53.2-167.3000110.1F16 P17 F18 S22 N23 F24F16-I20 HydrophobicContact CD1-CB 4Å; F16-I20 HydrophobicContact CD1-CG2 3.96Å; F16-I20 HydrophobicContact CE1-CB 3.86Å; F16-I20 HydrophobicContact CE1-CG2 3.4Å; F16-I20 HydrophobicContact CE2-CG2 4.04Å; F16-I20 HydrophobicContact CZ-CB 4.38Å; F16-I20 HydrophobicContact CZ-CG2 3.45Å; F16-I20 VanDerWaalsContact CZ-CG2 3.45Å; P17-I20 HydrophobicContact CB-CG1 4.31Å; P17-I20 HydrophobicContact CG-CD1 4.25Å; P17-I20 HydrophobicContact CG-CG1 4.33Å; P17-I20 WeakPolarHBondContact O-CB 3.49Å; P17-I20 PolarHBondContact O-N 3.23Å; F18-I20 VanDerWaalsContact C-N 3.34Å; F18-I20 PolarHBondContact O-N 3.29Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-S22 PolarHBondContact O-N 3.1Å; I20-N23 PolarHBondContact O-N 2.93Å; I20-F24 HydrophobicContact CG2-CD2 3.8Å; I20-F24 HydrophobicContact CG2-CE2 3.64Å; I20-F24 WeakPolarHBondContact O-CD2 3.45Å; I20-F24 PolarHBondContact O-N 3.03Å
21C92.5Very high82Confident8 Ų873 Ų735%0.05437%0.372CS..Hα-helixtrans-54.8-50.1172.6-72.20000111.3F16 P17 F18 N23 F24 R25 F430F16-C21 WeakPolarHBondContact CD1-SG 3.48Å; P17-C21 PolarHBondContact O-N 3.22Å; P17-C21 VanDerWaalsContact O-N 3.13Å; F18-C21 PolarHBondContact O-N 3.25Å; C21-N23 VanDerWaalsContact C-N 3.27Å; C21-N23 PolarHBondContact O-N 2.99Å; C21-F24 PolarHBondContact O-N 3.27Å; C21-R25 WeakPolarHBondContact O-CB 3.48Å; C21-R25 PolarHBondContact O-N 3.34Å; C21-F430 HydrophobicContact CB-CD1 4.48Å
22S94.4Very high84.7Confident23 Ų2366.9 Ų66.916%0.16134%0.339CS..Hα-helixtrans-61.7-35.2179.9-172.60000112.5F18 S19 I20 R25 N26F18-S22 PolarHBondContact O-N 2.67Å; S19-S22 PolarHBondContact O-N 3.31Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-S22 PolarHBondContact O-N 3.1Å; S22-R25 PolarHBondContact OG-NH2 3.25Å; S22-R25 VanDerWaalsContact OG-NH2 3.1Å; S22-N26 WeakPolarHBondContact O-CB 3.29Å; S22-N26 PolarHBondContact O-N 2.79Å; S22-N26 PolarHBondContact O-ND2 2.95Å
23N97.2Very high87.5Confident107 Ų10759.2 Ų59.257%0.57231%0.313SS*.Hα-helixtrans-65.2-47176.4-71.9-13000111.4S19 I20 C21 N26 K27S19-N23 PolarHBondContact O-N 3.29Å; S19-N23 PolarHBondContact O-ND2 3.34Å; S19-N23 PolarHBondContact O-OD1 2.57Å; I20-N23 PolarHBondContact O-N 2.93Å; C21-N23 VanDerWaalsContact C-N 3.27Å; C21-N23 PolarHBondContact O-N 2.99Å; N23-N26 PolarHBondContact O-N 3.46Å; N23-K27 WeakPolarHBondContact O-CB 3.47Å; N23-K27 PolarHBondContact O-N 3.33Å
24F98.2Very high90Very high27 Ų2756.9 Ų56.912%0.11829%0.294CS..Hα-helixtrans-66.8-40.5177.1-79.2-72.1000112.3F16 I20 C21 N26 K27 V28 A383 I386 E387 F430F16-F24 HydrophobicContact CE1-CD2 4.02Å; F16-F24 HydrophobicContact CE1-CE2 4.47Å; F16-F24 AromaticContact CZ-CD2 3.61Å; F16-F24 HydrophobicContact CZ-CD2 3.61Å; F16-F24 AromaticContact CZ-CE2 3.69Å; F16-F24 HydrophobicContact CZ-CE2 3.69Å; I20-F24 HydrophobicContact CG2-CD2 3.8Å; I20-F24 HydrophobicContact CG2-CE2 3.64Å; I20-F24 WeakPolarHBondContact O-CD2 3.45Å; I20-F24 PolarHBondContact O-N 3.03Å; C21-F24 PolarHBondContact O-N 3.27Å; F24-N26 VanDerWaalsContact C-N 3.33Å; F24-N26 PolarHBondContact O-N 3.18Å; F24-K27 PolarHBondContact O-N 3.2Å; F24-V28 VanDerWaalsContact O-CG2 3.31Å; F24-V28 WeakPolarHBondContact O-CG2 3.43Å; F24-V28 PolarHBondContact O-N 3.41Å; F24-A383 HydrophobicContact CD1-CB 4.14Å; F24-A383 HydrophobicContact CD2-CB 4.19Å; F24-A383 HydrophobicContact CE1-CB 3.64Å; F24-A383 HydrophobicContact CE2-CB 3.7Å; F24-A383 HydrophobicContact CG-CB 4.41Å; F24-A383 HydrophobicContact CZ-CB 3.41Å; F24-A383 VanDerWaalsContact CZ-CB 3.41Å; F24-I386 HydrophobicContact CB-CD1 4.1Å; F24-I386 HydrophobicContact CD1-CB 4.33Å; F24-I386 HydrophobicContact CD1-CD1 3.79Å; F24-I386 HydrophobicContact CD1-CG2 4.23Å; F24-I386 HydrophobicContact CG-CD1 4.33Å; F24-E387 HydrophobicContact CE1-CG 4.3Å; F24-F430 HydrophobicContact CB-CB 4.36Å; F24-F430 HydrophobicContact CB-CD1 3.73Å; F24-F430 HydrophobicContact CB-CD2 3.76Å; F24-F430 HydrophobicContact CB-CE1 3.88Å; F24-F430 HydrophobicContact CB-CE2 3.96Å; F24-F430 HydrophobicContact CB-CG 3.66Å; F24-F430 HydrophobicContact CB-CZ 3.99Å; F24-F430 HydrophobicContact CD2-CE1 4.17Å; F24-F430 HydrophobicContact CD2-CZ 4.47Å; F24-F430 HydrophobicContact CG-CD1 4.47Å; F24-F430 HydrophobicContact CG-CE1 4.16Å; F24-F430 HydrophobicContact CG-CE2 4.44Å; F24-F430 HydrophobicContact CG-CZ 4.15Å
25R97.9Very high92.2Very high47 Ų4750.9 Ų50.918%0.17726%0.262CS..Hα-helixtrans-55.5-47.9172.6-177.9-173.466.2-169.9-11.5111.8C21 S22 V28 K29 Y427 F430 D431C21-R25 WeakPolarHBondContact O-CB 3.48Å; C21-R25 PolarHBondContact O-N 3.34Å; S22-R25 PolarHBondContact OG-NH2 3.25Å; S22-R25 VanDerWaalsContact OG-NH2 3.1Å; R25-V28 PolarHBondContact O-N 3.17Å; R25-K29 PolarHBondContact O-N 2.84Å; R25-Y427 HydrophobicContact CG-CD2 3.64Å; R25-Y427 HydrophobicContact CG-CE2 3.4Å; R25-Y427 HydrophobicContact CG-CG 4.39Å; R25-F430 HydrophobicContact CB-CB 3.9Å; R25-D431 VanDerWaalsContact CD-OD2 3.23Å; R25-D431 WeakPolarHBondContact CD-OD2 3.04Å; R25-D431 HydrophobicContact CG-CB 4.33Å; R25-D431 IonicContact CZ-OD2 3.44Å; R25-D431 IonicContact NE-OD2 3.57Å; R25-D431 VanDerWaalsContact NH1-CG 3.3Å; R25-D431 IonicContact NH1-OD1 2.79Å; R25-D431 PolarHBondContact NH1-OD1 2.81Å; R25-D431 IonicContact NH1-OD2 3.61Å; R25-D431 PolarHBondContact NH1-OD2 2.54Å
26N98.1Very high94Very high70 Ų7048.9 Ų48.937%0.37425%0.248SC..Hα-helixtrans-66-40.6178.9-69.9-12.7000111.5S22 N23 F24 V28 K29 E30S22-N26 WeakPolarHBondContact O-CB 3.29Å; S22-N26 PolarHBondContact O-N 2.79Å; S22-N26 PolarHBondContact O-ND2 2.95Å; N23-N26 PolarHBondContact O-N 3.46Å; F24-N26 VanDerWaalsContact C-N 3.33Å; F24-N26 PolarHBondContact O-N 3.18Å; N26-V28 VanDerWaalsContact C-N 3.34Å; N26-V28 PolarHBondContact O-N 3.01Å; N26-K29 WeakPolarHBondContact O-CB 3.26Å; N26-K29 PolarHBondContact O-N 2.93Å; N26-K29 VanDerWaalsContact O-N 3.13Å; N26-E30 WeakPolarHBondContact O-CG 3.46Å; N26-E30 PolarHBondContact O-N 2.95Å
27K98.5Very high95.3Very high58 Ų5852.6 Ų52.625%0.25227%0.266SS..Hα-helixtrans-59.9-42.3174.7-173.8173178.8-177.50112.1N23 F24 K29 E30 I31 I386N23-K27 WeakPolarHBondContact O-CB 3.47Å; N23-K27 PolarHBondContact O-N 3.33Å; F24-K27 PolarHBondContact O-N 3.2Å; K27-K29 VanDerWaalsContact C-N 3.32Å; K27-K29 PolarHBondContact O-N 2.81Å; K27-E30 WeakPolarHBondContact O-CB 3.45Å; K27-E30 PolarHBondContact O-N 3.38Å; K27-I31 HydrophobicContact CG-CD1 4.34Å; K27-I31 VanDerWaalsContact O-CG1 3.29Å; K27-I31 WeakPolarHBondContact O-CG1 3.39Å; K27-I31 PolarHBondContact O-N 3.05Å; K27-I386 HydrophobicContact CD-CG2 3.73Å; K27-I386 HydrophobicContact CG-CG2 4.02Å
28V98.7Very high96.2Very high1 Ų150.6 Ų50.61%0.00625%0.252CS..Hα-helixtrans-64.2-38.91751770000111.5F24 R25 N26 E30 I31 F32 M77 I386 T423 L426F24-V28 VanDerWaalsContact O-CG2 3.31Å; F24-V28 WeakPolarHBondContact O-CG2 3.43Å; F24-V28 PolarHBondContact O-N 3.41Å; R25-V28 PolarHBondContact O-N 3.17Å; N26-V28 VanDerWaalsContact C-N 3.34Å; N26-V28 PolarHBondContact O-N 3.01Å; V28-E30 VanDerWaalsContact C-N 3.33Å; V28-E30 PolarHBondContact O-N 3.23Å; V28-I31 WeakPolarHBondContact O-CB 3.28Å; V28-I31 PolarHBondContact O-N 3.5Å; V28-F32 PolarHBondContact O-N 3.49Å; V28-M77 HydrophobicContact CG1-CE 4.43Å; V28-I386 HydrophobicContact CG2-CD1 3.34Å; V28-I386 HydrophobicContact CG2-CG1 3.74Å; V28-T423 WeakPolarHBondContact CG1-O 3.33Å; V28-L426 HydrophobicContact CG1-CB 4.06Å; V28-L426 HydrophobicContact CG2-CB 3.82Å
29K98.5Very high96.9Very high68 Ų6843.2 Ų43.230%0.29622%0.219SC..Hα-helixtrans-63.6-38.4174.4-175.9168.7177.8165.80112.2R25 N26 K27 F32 N33 M77 Y427R25-K29 PolarHBondContact O-N 2.84Å; N26-K29 WeakPolarHBondContact O-CB 3.26Å; N26-K29 PolarHBondContact O-N 2.93Å; N26-K29 VanDerWaalsContact O-N 3.13Å; K27-K29 VanDerWaalsContact C-N 3.32Å; K27-K29 PolarHBondContact O-N 2.81Å; K29-F32 PolarHBondContact O-N 3.5Å; K29-N33 WeakPolarHBondContact O-CB 3.36Å; K29-N33 PolarHBondContact O-N 3.17Å; K29-N33 PolarHBondContact O-ND2 3.27Å; K29-M77 HydrophobicContact CB-SD 4.27Å; K29-M77 HydrophobicContact CG-SD 4.09Å; K29-M77 PolarHBondContact NZ-O 3.45Å; K29-Y427 HydrophobicContact CB-CD2 4.38Å; K29-Y427 HydrophobicContact CB-CE2 4.27Å; K29-Y427 HydrophobicContact CD-CE2 4.46Å
30E98.5Very high97.3Very high130 Ų13041.6 Ų41.661%0.60721%0.205SC*.Hα-helixtrans-64.8-43173.2-71.1169.6-167.500112N26 K27 V28 N33 N34N26-E30 WeakPolarHBondContact O-CG 3.46Å; N26-E30 PolarHBondContact O-N 2.95Å; K27-E30 WeakPolarHBondContact O-CB 3.45Å; K27-E30 PolarHBondContact O-N 3.38Å; V28-E30 VanDerWaalsContact C-N 3.33Å; V28-E30 PolarHBondContact O-N 3.23Å; E30-N33 PolarHBondContact O-N 3.16Å; E30-N34 VanDerWaalsContact O-CB 3.29Å; E30-N34 WeakPolarHBondContact O-CB 3.3Å; E30-N34 PolarHBondContact O-N 2.74Å
31I98.8Very high97.6Very high5 Ų543.9 Ų43.93%0.02622%0.218CC..Hα-helixtrans-57.2-51.1173.7-71166.8000110.4K27 V28 N34 A35 I386 E390 Y399 F418 T423K27-I31 HydrophobicContact CG-CD1 4.34Å; K27-I31 VanDerWaalsContact O-CG1 3.29Å; K27-I31 WeakPolarHBondContact O-CG1 3.39Å; K27-I31 PolarHBondContact O-N 3.05Å; V28-I31 WeakPolarHBondContact O-CB 3.28Å; V28-I31 PolarHBondContact O-N 3.5Å; I31-N34 PolarHBondContact O-N 3.33Å; I31-A35 WeakPolarHBondContact O-CB 3.41Å; I31-A35 PolarHBondContact O-N 2.86Å; I31-I386 HydrophobicContact CD1-CG2 3.84Å; I31-E390 WeakPolarHBondContact CG1-OE2 3.47Å; I31-Y399 HydrophobicContact CB-CE2 4.37Å; I31-Y399 HydrophobicContact CG1-CE1 4.28Å; I31-Y399 WeakPolarHBondContact CG1-OH 3.36Å; I31-Y399 HydrophobicContact CG2-CD2 4.29Å; I31-Y399 HydrophobicContact CG2-CE1 4.03Å; I31-Y399 HydrophobicContact CG2-CE2 3.79Å; I31-F418 HydrophobicContact CG2-CE1 3.99Å; I31-F418 HydrophobicContact CG2-CZ 3.53Å; I31-T423 HydrophobicContact CG2-CG2 3.93Å
32F98.7Very high97.9Very high1 Ų148 Ų480%0.00424%0.235CC..Hα-helixtrans-59-51.3178.2173.3-91.2000111.4V28 K29 N34 A35 Y36 A70 T73 L74 M77 L419 T423V28-F32 PolarHBondContact O-N 3.49Å; K29-F32 PolarHBondContact O-N 3.5Å; F32-N34 VanDerWaalsContact C-N 3.32Å; F32-N34 PolarHBondContact O-N 2.99Å; F32-A35 PolarHBondContact O-N 3.2Å; F32-Y36 HydrophobicContact CE1-CG 4.29Å; F32-Y36 HydrophobicContact CZ-CD2 4.29Å; F32-Y36 HydrophobicContact CZ-CG 4.29Å; F32-Y36 WeakPolarHBondContact O-CB 3.49Å; F32-Y36 PolarHBondContact O-N 2.85Å; F32-A70 HydrophobicContact CE2-CB 4.41Å; F32-A70 HydrophobicContact CZ-CB 4.31Å; F32-T73 HydrophobicContact CD2-CG2 3.55Å; F32-T73 HydrophobicContact CE2-CG2 3.29Å; F32-T73 HydrophobicContact CG-CG2 4.27Å; F32-T73 HydrophobicContact CZ-CG2 3.83Å; F32-L74 HydrophobicContact CE1-CD2 3.76Å; F32-L74 HydrophobicContact CE1-CG 4.36Å; F32-L74 HydrophobicContact CZ-CD2 3.97Å; F32-L74 HydrophobicContact CZ-CG 4.09Å; F32-M77 HydrophobicContact CB-CE 3.66Å; F32-M77 HydrophobicContact CB-SD 3.74Å; F32-M77 HydrophobicContact CD1-CE 4.38Å; F32-M77 HydrophobicContact CD1-SD 3.63Å; F32-M77 HydrophobicContact CD2-CE 4.11Å; F32-M77 HydrophobicContact CD2-SD 4.38Å; F32-M77 HydrophobicContact CE1-SD 4.38Å; F32-M77 HydrophobicContact CG-CE 3.78Å; F32-M77 HydrophobicContact CG-SD 3.64Å; F32-L419 HydrophobicContact CD2-CB 4.46Å; F32-L419 HydrophobicContact CD2-CD2 3.77Å; F32-L419 HydrophobicContact CE2-CB 4.08Å; F32-L419 HydrophobicContact CE2-CD2 3.89Å; F32-T423 HydrophobicContact CB-CG2 4.21Å
33N98.3Very high97.9Very high45 Ų4547 Ų4724%0.24123%0.227CC..Hα-helixtrans-60.3-43.4-179.2-72.8-17.3000111.3K29 E30 Y36 E37K29-N33 WeakPolarHBondContact O-CB 3.36Å; K29-N33 PolarHBondContact O-N 3.17Å; K29-N33 PolarHBondContact O-ND2 3.27Å; E30-N33 PolarHBondContact O-N 3.16Å; N33-Y36 PolarHBondContact O-N 2.92Å; N33-E37 VanDerWaalsContact O-CB 3.25Å; N33-E37 WeakPolarHBondContact O-CB 3.36Å; N33-E37 VanDerWaalsContact O-CG 3.23Å; N33-E37 WeakPolarHBondContact O-CG 3.46Å; N33-E37 PolarHBondContact O-N 3.44Å
34N98.2Very high97.8Very high46 Ų4645.6 Ų45.625%0.24622%0.217CC..Hα-helixtrans-61.2-47.9177.2-180-94.5000111.7E30 I31 F32 N38 Y399E30-N34 VanDerWaalsContact O-CB 3.29Å; E30-N34 WeakPolarHBondContact O-CB 3.3Å; E30-N34 PolarHBondContact O-N 2.74Å; I31-N34 PolarHBondContact O-N 3.33Å; F32-N34 VanDerWaalsContact C-N 3.32Å; F32-N34 PolarHBondContact O-N 2.99Å; N34-N38 WeakPolarHBondContact O-CB 3.47Å; N34-N38 PolarHBondContact O-N 3.33Å; N34-N38 PolarHBondContact O-ND2 3.2Å; N34-Y399 HydrophobicContact CB-CE2 4.37Å
35A98.5Very high97.4Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-63.2-45.6178.100000112I31 F32 Y39 Y399 M414 F418 L419I31-A35 WeakPolarHBondContact O-CB 3.41Å; I31-A35 PolarHBondContact O-N 2.86Å; F32-A35 PolarHBondContact O-N 3.2Å; A35-Y39 PolarHBondContact O-N 3.01Å; A35-Y399 HydrophobicContact CB-CD2 3.94Å; A35-Y399 HydrophobicContact CB-CE2 4.35Å; A35-M414 HydrophobicContact CB-CE 3.96Å; A35-M414 HydrophobicContact CB-SD 3.86Å; A35-F418 HydrophobicContact CB-CD1 4.26Å; A35-F418 HydrophobicContact CB-CE1 4.03Å; A35-L419 HydrophobicContact CB-CD2 3.55Å
36Y98.5Very high97.2Very high7 Ų751 Ų513%0.02725%0.247CC..Hα-helixtrans-66.5-48.8-178.2175.5-96.9000112.5F32 N33 N38 Y39 I40 L67 A70 L74 E82 V86 L419F32-Y36 HydrophobicContact CE1-CG 4.29Å; F32-Y36 HydrophobicContact CZ-CD2 4.29Å; F32-Y36 HydrophobicContact CZ-CG 4.29Å; F32-Y36 WeakPolarHBondContact O-CB 3.49Å; F32-Y36 PolarHBondContact O-N 2.85Å; N33-Y36 PolarHBondContact O-N 2.92Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 3.18Å; Y36-Y39 WeakPolarHBondContact O-CB 3.25Å; Y36-Y39 PolarHBondContact O-N 3.25Å; Y36-Y39 VanDerWaalsContact O-N 3.16Å; Y36-I40 HydrophobicContact CD1-CG1 4.35Å; Y36-I40 HydrophobicContact CE1-CD1 4.49Å; Y36-I40 HydrophobicContact CE1-CG1 3.81Å; Y36-I40 HydrophobicContact CE2-CD1 4.27Å; Y36-I40 HydrophobicContact CE2-CG1 4.21Å; Y36-I40 WeakPolarHBondContact O-CG1 3.31Å; Y36-I40 PolarHBondContact O-N 3.45Å; Y36-L67 HydrophobicContact CE2-CD1 4.44Å; Y36-A70 HydrophobicContact CD2-CB 3.94Å; Y36-A70 HydrophobicContact CE2-CB 4.05Å; Y36-L74 HydrophobicContact CD1-CD2 4.47Å; Y36-L74 HydrophobicContact CE1-CD2 4.24Å; Y36-L74 HydrophobicContact CE2-CD1 4.1Å; Y36-E82 HydrophobicContact CE1-CG 3.76Å; Y36-E82 VanDerWaalsContact CE1-OE1 3.3Å; Y36-E82 WeakPolarHBondContact CE1-OE1 3.13Å; Y36-E82 WeakPolarHBondContact OH-CG 3.24Å; Y36-E82 PolarHBondContact OH-OE1 3.33Å; Y36-V86 WeakPolarHBondContact OH-CG2 3.3Å; Y36-L419 HydrophobicContact CD2-CD1 4.5Å
37E97.9Very high96.9Very high113 Ų11347.7 Ų47.753%0.52823%0.229SC..Hα-helixtrans-62.4-38.9179.3-73.2175.4-176.700111.4N33 I40 N41N33-E37 VanDerWaalsContact O-CB 3.25Å; N33-E37 WeakPolarHBondContact O-CB 3.36Å; N33-E37 VanDerWaalsContact O-CG 3.23Å; N33-E37 WeakPolarHBondContact O-CG 3.46Å; N33-E37 PolarHBondContact O-N 3.44Å; E37-I40 PolarHBondContact O-N 3.11Å; E37-N41 WeakPolarHBondContact O-CB 3.46Å; E37-N41 PolarHBondContact O-N 3.43Å; E37-N41 PolarHBondContact O-ND2 3.33Å; E37-N41 VanDerWaalsContact O-ND2 3.11Å
38N98.4Very high96.7Very high18 Ų1844.9 Ų44.910%0.09622%0.217CC..Hα-helixtrans-68.9-36175.3-76.9-63000112.7N34 Y36 I40 N41 F42 L49 C397N34-N38 WeakPolarHBondContact O-CB 3.47Å; N34-N38 PolarHBondContact O-N 3.33Å; N34-N38 PolarHBondContact O-ND2 3.2Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 3.18Å; N38-I40 VanDerWaalsContact C-N 3.34Å; N38-N41 PolarHBondContact O-N 2.61Å; N38-F42 HydrophobicContact CB-CD2 4.12Å; N38-F42 WeakPolarHBondContact O-CB 3.4Å; N38-F42 WeakPolarHBondContact O-CD2 3.37Å; N38-F42 PolarHBondContact O-N 3.1Å; N38-F42 WeakPolarHBondContact OD1-CE2 3.43Å; N38-L49 HydrophobicContact CB-CD2 3.96Å; N38-C397 HydrophobicContact CB-CB 4.42Å; N38-C397 WeakPolarHBondContact CB-O 3.29Å; N38-C397 VanDerWaalsContact CG-C 3.48Å
39Y97.6Very high96.7Very high0 Ų044.9 Ų44.90%022%0.217CC..Hα-helixtrans-58.6-47.8170167.8-99.4000110.8A35 Y36 N41 A43 F44 Y46 L49 S64 L67A35-Y39 PolarHBondContact O-N 3.01Å; Y36-Y39 WeakPolarHBondContact O-CB 3.25Å; Y36-Y39 PolarHBondContact O-N 3.25Å; Y36-Y39 VanDerWaalsContact O-N 3.16Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; Y39-N41 PolarHBondContact O-N 3.4Å; Y39-A43 HydrophobicContact CD2-CB 3.57Å; Y39-A43 HydrophobicContact CE2-CB 3.93Å; Y39-A43 HydrophobicContact CG-CB 4.43Å; Y39-A43 CarbonylContact O-C 3.58Å; Y39-A43 WeakPolarHBondContact O-CA 3.33Å; Y39-A43 PolarHBondContact O-N 2.86Å; Y39-F44 HydrophobicContact CE1-CB 4.39Å; Y39-F44 PolarHBondContact O-N 2.71Å; Y39-Y46 VanDerWaalsContact CE2-O 3.3Å; Y39-Y46 WeakPolarHBondContact CE2-O 3.04Å; Y39-Y46 PolarHBondContact OH-O 2.04Å; Y39-L49 HydrophobicContact CD2-CB 4.29Å; Y39-S64 WeakPolarHBondContact OH-CA 3.46Å; Y39-S64 WeakPolarHBondContact OH-CB 3.44Å; Y39-L67 HydrophobicContact CE1-CB 3.92Å; Y39-L67 HydrophobicContact CE1-CD1 4.25Å
40I96.4Very high96.6Very high37 Ų3744 Ų4419%0.1921%0.213CC..Hα-helixtrans-59.6-41.2177.2-66.3-61.7000112Y36 E37 N38 L67Y36-I40 HydrophobicContact CD1-CG1 4.35Å; Y36-I40 HydrophobicContact CE1-CD1 4.49Å; Y36-I40 HydrophobicContact CE1-CG1 3.81Å; Y36-I40 HydrophobicContact CE2-CD1 4.27Å; Y36-I40 HydrophobicContact CE2-CG1 4.21Å; Y36-I40 WeakPolarHBondContact O-CG1 3.31Å; Y36-I40 PolarHBondContact O-N 3.45Å; E37-I40 PolarHBondContact O-N 3.11Å; N38-I40 VanDerWaalsContact C-N 3.34Å; I40-L67 HydrophobicContact CD1-CD1 3.7Å
41N96.9Very high96.6Very high111 Ų11137.9 Ų37.959%0.59418%0.184SC*.Hα-helixtrans-78.8-33.3-175.3-70.2-31.1000114.1E37 N38 Y39E37-N41 WeakPolarHBondContact O-CB 3.46Å; E37-N41 PolarHBondContact O-N 3.43Å; E37-N41 PolarHBondContact O-ND2 3.33Å; E37-N41 VanDerWaalsContact O-ND2 3.11Å; N38-N41 PolarHBondContact O-N 2.61Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; Y39-N41 PolarHBondContact O-N 3.4Å
42F97Very high96.5Very high94 Ų9441.4 Ų41.441%0.41220%0.202SC..Hα-helixtrans-121.4-17.6-166.7-61.6-61.8000114.9N38 L49 C54 Q55 G56 C397N38-F42 HydrophobicContact CB-CD2 4.12Å; N38-F42 WeakPolarHBondContact O-CB 3.4Å; N38-F42 WeakPolarHBondContact O-CD2 3.37Å; N38-F42 PolarHBondContact O-N 3.1Å; N38-F42 WeakPolarHBondContact OD1-CE2 3.43Å; F42-L49 HydrophobicContact CB-CD1 4.03Å; F42-C54 HydrophobicContact CB-CB 4.33Å; F42-C54 HydrophobicContact CD1-CB 4.12Å; F42-C54 HydrophobicContact CD2-CB 4.31Å; F42-C54 HydrophobicContact CG-CB 4Å; F42-Q55 CarbonylContact O-C 3.59Å; F42-G56 PolarHBondContact O-N 3.32Å; F42-C397 HydrophobicContact CD2-CB 4.18Å; F42-C397 HydrophobicContact CE2-CB 4.43Å
43A95.8Very high96.5Very high1 Ų143.4 Ų43.41%0.00822%0.216CC..THydrogen-bonded Turntrans-126.5-24.6-172.900000114.4Y39 Y46 L49Y39-A43 HydrophobicContact CD2-CB 3.57Å; Y39-A43 HydrophobicContact CE2-CB 3.93Å; Y39-A43 HydrophobicContact CG-CB 4.43Å; Y39-A43 CarbonylContact O-C 3.58Å; Y39-A43 WeakPolarHBondContact O-CA 3.33Å; Y39-A43 PolarHBondContact O-N 2.86Å; A43-Y46 WeakPolarHBondContact O-CA 3.35Å; A43-Y46 WeakPolarHBondContact O-CB 3.13Å; A43-Y46 WeakPolarHBondContact O-CD2 3.4Å; A43-Y46 PolarHBondContact O-N 3.35Å; A43-L49 HydrophobicContact CB-CB 3.9Å; A43-L49 HydrophobicContact CB-CD1 3.74Å; A43-L49 HydrophobicContact CB-CG 4.42Å
44F93.6Very high96.5Very high79 Ų7943 Ų4335%0.34622%0.216SC..THydrogen-bonded Turntrans-61.4132.8174.3175.9-99.7000110.7Y39 L67 I89Y39-F44 HydrophobicContact CE1-CB 4.39Å; Y39-F44 PolarHBondContact O-N 2.71Å; F44-L67 HydrophobicContact CD2-CD2 4.01Å; F44-L67 HydrophobicContact CE2-CD2 3.66Å; F44-I89 HydrophobicContact CE2-CG2 4.03Å; F44-I89 HydrophobicContact CZ-CG2 3.84Å
45P91.1Very high96.4Very high75 Ų7546 Ų4649%0.48723%0.229SC..THydrogen-bonded Turncis-97.315.210.639.7-37.2000116S64P45-S64 WeakPolarHBondContact O-CA 3.27Å; P45-S64 PolarHBondContact O-OG 3.41Å
46Y92.8Very high96.2Very high112 Ų11246.9 Ų46.944%0.43924%0.238SC..SBendtrans-64163.7175.9-59.2-85000112.2Y39 A43 M57 N58Y39-Y46 VanDerWaalsContact CE2-O 3.3Å; Y39-Y46 WeakPolarHBondContact CE2-O 3.04Å; Y39-Y46 PolarHBondContact OH-O 2.04Å; A43-Y46 WeakPolarHBondContact O-CA 3.35Å; A43-Y46 WeakPolarHBondContact O-CB 3.13Å; A43-Y46 WeakPolarHBondContact O-CD2 3.4Å; A43-Y46 PolarHBondContact O-N 3.35Å; Y46-M57 WeakPolarHBondContact CB-O 3.18Å; Y46-N58 VanDerWaalsContact CA-OD1 3.32Å; Y46-N58 WeakPolarHBondContact CA-OD1 3.31Å; Y46-N58 WeakPolarHBondContact CD1-OD1 3.37Å
47D92.3Very high95.9Very high0 Ų048.4 Ų48.40%025%0.246CC..SBendtrans-65.1-43-177.2-69.6-30.8000113.1M57 N58 T59 W60 G61 S62 F63 S64 L65 S66D47-M57 PolarHBondContact N-O 2.9Å; D47-M57 VanDerWaalsContact N-O 3.08Å; D47-N58 PolarHBondContact N-OD1 3.07Å; D47-T59 PolarHBondContact OD2-N 2.89Å; D47-W60 PolarHBondContact OD2-N 3.21Å; D47-W60 VanDerWaalsContact OD2-N 3.16Å; D47-G61 PolarHBondContact OD2-N 3.34Å; D47-S62 VanDerWaalsContact OD1-CA 3.27Å; D47-S62 WeakPolarHBondContact OD1-CA 3.12Å; D47-S62 PolarHBondContact OD1-N 3.09Å; D47-S62 PolarHBondContact OD2-N 3.05Å; D47-F63 PolarHBondContact OD1-N 2.77Å; D47-S64 PolarHBondContact OD1-N 2.8Å; D47-L65 HydrophobicContact CB-CB 3.85Å; D47-L65 PolarHBondContact OD1-N 2.61Å; D47-S66 VanDerWaalsContact O-CB 3.27Å; D47-S66 WeakPolarHBondContact O-CB 3.38Å; D47-S66 PolarHBondContact O-N 2.92Å; D47-S66 PolarHBondContact O-OG 3.22Å
48E94.8Very high95.4Very high0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-139.2161.1-169.7-76.1168.4-139.900112.5G56 M57 T59 R413E48-G56 WeakPolarHBondContact O-CA 3.03Å; E48-M57 HydrophobicContact CB-CE 3.83Å; E48-M57 HydrophobicContact CB-CG 4.03Å; E48-M57 PolarHBondContact N-O 3.27Å; E48-M57 PolarHBondContact O-N 2.97Å; E48-M57 WeakPolarHBondContact OE2-CE 3.4Å; E48-T59 WeakPolarHBondContact OE1-CB 3.36Å; E48-T59 VanDerWaalsContact OE1-CG2 3.26Å; E48-T59 WeakPolarHBondContact OE1-CG2 3.36Å; E48-T59 PolarHBondContact OE1-OG1 3.42Å; E48-R413 IonicContact OE2-NE 3.93Å; E48-R413 IonicContact OE2-NH2 3.15Å
49L97.4Very high94.5Very high0 Ų047.9 Ų47.90%025%0.249CC..EExtended strand (participates in β ladder)trans-98.4140.1177.517663.3000111.1N38 Y39 F42 A43 P51 C397 M414N38-L49 HydrophobicContact CB-CD2 3.96Å; Y39-L49 HydrophobicContact CD2-CB 4.29Å; F42-L49 HydrophobicContact CB-CD1 4.03Å; A43-L49 HydrophobicContact CB-CB 3.9Å; A43-L49 HydrophobicContact CB-CD1 3.74Å; A43-L49 HydrophobicContact CB-CG 4.42Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; L49-C397 WeakPolarHBondContact CD2-O 3.38Å; L49-M414 HydrophobicContact CB-CB 4.48Å; L49-M414 HydrophobicContact CB-CE 3.96Å; L49-M414 HydrophobicContact CD2-CE 3.6Å; L49-M414 HydrophobicContact CD2-SD 4.27Å; L49-M414 HydrophobicContact CG-CE 4.36Å; L49-M414 WeakPolarHBondContact O-CB 3.45Å; L49-M414 PolarHBondContact O-N 2.96Å
50K97.9Very high93Very high51 Ų5152 Ų5222%0.22226%0.264CS..EExtended strand (participates in β ladder)trans-98.197165.6-62.7-171.269.5-127.60108.4I52 S53 C54 Q55 M57 D412K50-I52 PolarHBondContact O-N 3.38Å; K50-S53 WeakPolarHBondContact CB-OG 3.49Å; K50-S53 PolarHBondContact NZ-OG 3.26Å; K50-S53 VanDerWaalsContact NZ-OG 3.08Å; K50-C54 VanDerWaalsContact O-CA 3.3Å; K50-C54 WeakPolarHBondContact O-CA 3.18Å; K50-C54 PolarHBondContact O-N 3.14Å; K50-Q55 HydrophobicContact CB-CB 4.34Å; K50-Q55 VanDerWaalsContact CB-O 3.29Å; K50-Q55 WeakPolarHBondContact CB-O 3.4Å; K50-Q55 HydrophobicContact CD-CB 4.46Å; K50-Q55 PolarHBondContact N-O 3.43Å; K50-Q55 PolarHBondContact O-N 3.04Å; K50-M57 HydrophobicContact CD-CB 4.2Å; K50-M57 HydrophobicContact CD-CG 4.45Å; K50-M57 HydrophobicContact CD-SD 4.15Å; K50-M57 HydrophobicContact CG-CB 4.24Å; K50-M57 HydrophobicContact CG-CG 4.03Å; K50-M57 HydrophobicContact CG-SD 3.83Å; K50-D412 WeakPolarHBondContact CA-OD1 3.14Å; K50-D412 WeakPolarHBondContact CB-OD1 3.13Å; K50-D412 WeakPolarHBondContact CE-O 3.36Å; K50-D412 WeakPolarHBondContact CE-OD2 3.31Å; K50-D412 IonicContact NZ-OD2 2.81Å; K50-D412 PolarHBondContact NZ-OD2 2.93Å
51P97.6Very high91.6Very high0 Ų050.8 Ų50.80%026%0.261CS..THydrogen-bonded Turntrans-75.8-17.2-164.431.2-37.9000114.1L49 T395 C397 A400 D412 M414L49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-T395 VanDerWaalsContact C-OG1 3.3Å; P51-T395 HydrophobicContact CB-CG2 4.22Å; P51-T395 WeakPolarHBondContact CB-OG1 3.35Å; P51-T395 WeakPolarHBondContact O-CB 3.48Å; P51-T395 PolarHBondContact O-OG1 3.43Å; P51-C397 WeakPolarHBondContact O-CB 3.45Å; P51-A400 HydrophobicContact CG-CB 3.81Å; P51-D412 VanDerWaalsContact N-OD1 3.15Å; P51-M414 HydrophobicContact CG-CB 4.08Å
52I97.9Very high90.6Very high80 Ų8048.7 Ų48.741%0.4126%0.255SS..THydrogen-bonded Turntrans-85.3-46.3175.8-54.4176.3000109.8K50 T395 A400 I410 D412K50-I52 PolarHBondContact O-N 3.38Å; I52-T395 HydrophobicContact CG1-CG2 3.97Å; I52-A400 HydrophobicContact CG1-CB 4.39Å; I52-I410 HydrophobicContact CD1-CB 4.41Å; I52-I410 HydrophobicContact CD1-CD1 3.64Å; I52-I410 HydrophobicContact CD1-CG1 3.77Å; I52-I410 HydrophobicContact CG1-CD1 4.04Å; I52-D412 WeakPolarHBondContact CA-OD1 3.25Å; I52-D412 HydrophobicContact CB-CB 4.04Å; I52-D412 VanDerWaalsContact CB-OD1 3.29Å; I52-D412 WeakPolarHBondContact CB-OD1 3.34Å; I52-D412 HydrophobicContact CD1-CB 3.98Å; I52-D412 HydrophobicContact CG1-CB 4.17Å; I52-D412 PolarHBondContact N-OD1 3.3Å
53S97.7Very high89.6Confident42 Ų4245 Ų4529%0.29424%0.239SC..THydrogen-bonded Turntrans-86.1-10.2-179.358.20000114.6K50 D412K50-S53 WeakPolarHBondContact CB-OG 3.49Å; K50-S53 PolarHBondContact NZ-OG 3.26Å; K50-S53 VanDerWaalsContact NZ-OG 3.08Å; S53-D412 WeakPolarHBondContact CB-OD2 3.42Å; S53-D412 PolarHBondContact N-OD1 3.44Å; S53-D412 VanDerWaalsContact N-OD1 3.11Å; S53-D412 PolarHBondContact N-OD2 2.92Å; S53-D412 PolarHBondContact OG-OD2 3.49Å
54C97.5Very high89Confident36 Ų3645.6 Ų45.624%0.24324%0.242CC..THydrogen-bonded Turntrans56.751.4-176.3-46.90000111.6F42 K50 C397F42-C54 HydrophobicContact CB-CB 4.33Å; F42-C54 HydrophobicContact CD1-CB 4.12Å; F42-C54 HydrophobicContact CD2-CB 4.31Å; F42-C54 HydrophobicContact CG-CB 4Å; K50-C54 VanDerWaalsContact O-CA 3.3Å; K50-C54 WeakPolarHBondContact O-CA 3.18Å; K50-C54 PolarHBondContact O-N 3.14Å; C54-C397 HydrophobicContact CB-CB 3.79Å; C54-C397 WeakPolarHBondContact CB-SG 3.41Å; C54-C397 WeakPolarHBondContact SG-CB 3.38Å; C54-C397 CovalentContact SG-SG 2.02Å; C54-C397 PolarHBondContact SG-SG 3.22Å
55Q96.5Very high88.7Confident110 Ų11041.9 Ų41.951%0.51423%0.226SC..EExtended strand (participates in β ladder)trans-130.6158.3-178.3-67.7176.9-2.400111F42 K50F42-Q55 CarbonylContact O-C 3.59Å; K50-Q55 HydrophobicContact CB-CB 4.34Å; K50-Q55 VanDerWaalsContact CB-O 3.29Å; K50-Q55 WeakPolarHBondContact CB-O 3.4Å; K50-Q55 HydrophobicContact CD-CB 4.46Å; K50-Q55 PolarHBondContact N-O 3.43Å; K50-Q55 PolarHBondContact O-N 3.04Å
56G94Very high88.7Confident18 Ų1838.3 Ų38.319%0.18620%0.203CC..EExtended strand (participates in β ladder)trans-88.9155.317000000113.4F42 E48F42-G56 PolarHBondContact O-N 3.32Å; E48-G56 WeakPolarHBondContact O-CA 3.03Å
57M92.9Very high88.8Confident40 Ų4033.1 Ų33.120%0.19718%0.183CC..EExtended strand (participates in β ladder)trans-143.5152.5169.467.6177.7-163.400111.9Y46 D47 E48 K50 T59 R413Y46-M57 WeakPolarHBondContact CB-O 3.18Å; D47-M57 PolarHBondContact N-O 2.9Å; D47-M57 VanDerWaalsContact N-O 3.08Å; E48-M57 HydrophobicContact CB-CE 3.83Å; E48-M57 HydrophobicContact CB-CG 4.03Å; E48-M57 PolarHBondContact N-O 3.27Å; E48-M57 PolarHBondContact O-N 2.97Å; E48-M57 WeakPolarHBondContact OE2-CE 3.4Å; K50-M57 HydrophobicContact CD-CB 4.2Å; K50-M57 HydrophobicContact CD-CG 4.45Å; K50-M57 HydrophobicContact CD-SD 4.15Å; K50-M57 HydrophobicContact CG-CB 4.24Å; K50-M57 HydrophobicContact CG-CG 4.03Å; K50-M57 HydrophobicContact CG-SD 3.83Å; M57-T59 HydrophobicContact CE-CG2 3.9Å; M57-R413 HydrophobicContact CE-CG 3.66Å
58N88Confident88.9Confident73 Ų7333.1 Ų33.139%0.3918%0.183SC..  trans-100.5142.3174.6-69-33.4000110.5Y46 D47 S62Y46-N58 VanDerWaalsContact CA-OD1 3.32Å; Y46-N58 WeakPolarHBondContact CA-OD1 3.31Å; Y46-N58 WeakPolarHBondContact CD1-OD1 3.37Å; D47-N58 PolarHBondContact N-OD1 3.07Å; N58-S62 PolarHBondContact ND2-OG 3.09Å
59T77.9Confident88.9Confident47 Ų4733.1 Ų33.129%0.28818%0.183SC..SBendtrans-127.2-47.7-176.444.90000112.3D47 E48 M57D47-T59 PolarHBondContact OD2-N 2.89Å; E48-T59 WeakPolarHBondContact OE1-CB 3.36Å; E48-T59 VanDerWaalsContact OE1-CG2 3.26Å; E48-T59 WeakPolarHBondContact OE1-CG2 3.36Å; E48-T59 PolarHBondContact OE1-OG1 3.42Å; M57-T59 HydrophobicContact CE-CG2 3.9Å
60W67Low88.9Confident87 Ų8733.1 Ų33.133%0.3318%0.183SC..SBendtrans-120.6-12.1-166.8-61.7108.7000115.2D47 L65 E106D47-W60 PolarHBondContact OD2-N 3.21Å; D47-W60 VanDerWaalsContact OD2-N 3.16Å; W60-L65 HydrophobicContact CB-CD2 4.45Å; W60-L65 VanDerWaalsContact CD1-CD2 3.43Å; W60-L65 HydrophobicContact CG-CD2 4.26Å; W60-E106 HydrophobicContact CD2-CB 4.41Å; W60-E106 HydrophobicContact CD2-CG 4.15Å; W60-E106 HydrophobicContact CE3-CG 4.11Å; W60-E106 HydrophobicContact CH2-CG 4.15Å; W60-E106 HydrophobicContact CZ2-CG 4.2Å; W60-E106 HydrophobicContact CZ3-CG 4.11Å
61G67.2Low88.8Confident11 Ų1130.7 Ų30.711%0.11317%0.172CC..SBendtrans161.211.3171.200000116.2D47 F63D47-G61 PolarHBondContact OD2-N 3.34Å; G61-F63 VanDerWaalsContact CA-CE2 3.42Å
62S76.4Confident88.7Confident67 Ų6730.7 Ų30.747%0.46917%0.172SC..SBendtrans65.146-179.9-35.20000112.5D47 N58D47-S62 VanDerWaalsContact OD1-CA 3.27Å; D47-S62 WeakPolarHBondContact OD1-CA 3.12Å; D47-S62 PolarHBondContact OD1-N 3.09Å; D47-S62 PolarHBondContact OD2-N 3.05Å; N58-S62 PolarHBondContact ND2-OG 3.09Å
63F75.4Confident88.7Confident17 Ų1726.9 Ų26.98%0.07515%0.153CC..SBendtrans-920.6-179.6-58.5-53000113.8D47 G61 L65 I68 F94 V100 V102 V111 L167D47-F63 PolarHBondContact OD1-N 2.77Å; G61-F63 VanDerWaalsContact CA-CE2 3.42Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-I68 HydrophobicContact CB-CD1 4.29Å; F63-F94 HydrophobicContact CB-CD2 4.24Å; F63-F94 HydrophobicContact CB-CE2 3.66Å; F63-F94 HydrophobicContact CB-CZ 4.46Å; F63-F94 HydrophobicContact CD1-CD2 4.1Å; F63-F94 HydrophobicContact CD1-CE1 4.12Å; F63-F94 AromaticContact CD1-CE2 3.31Å; F63-F94 HydrophobicContact CD1-CE2 3.31Å; F63-F94 AromaticContact CD1-CZ 3.3Å; F63-F94 HydrophobicContact CD1-CZ 3.3Å; F63-F94 HydrophobicContact CE1-CE1 4.3Å; F63-F94 HydrophobicContact CE1-CE2 4.19Å; F63-F94 AromaticContact CE1-CZ 3.71Å; F63-F94 HydrophobicContact CE1-CZ 3.71Å; F63-F94 AromaticContact CG-CE2 3.6Å; F63-F94 HydrophobicContact CG-CE2 3.6Å; F63-F94 AromaticContact CG-CZ 3.91Å; F63-F94 HydrophobicContact CG-CZ 3.91Å; F63-V100 HydrophobicContact CZ-CG1 4.21Å; F63-V102 HydrophobicContact CE2-CG1 3.71Å; F63-V102 HydrophobicContact CZ-CG1 3.42Å; F63-V102 VanDerWaalsContact CZ-CG1 3.42Å; F63-V111 HydrophobicContact CD2-CG2 4.29Å; F63-L167 HydrophobicContact CE1-CD1 3.62Å; F63-L167 HydrophobicContact CZ-CD1 3.59Å
64S83.4Confident88.6Confident12 Ų1224.9 Ų24.98%0.08414%0.139CC..  trans56.950.2-159.8-50.30000109.9Y39 P45 D47 S66 L67 I68Y39-S64 WeakPolarHBondContact OH-CA 3.46Å; Y39-S64 WeakPolarHBondContact OH-CB 3.44Å; P45-S64 WeakPolarHBondContact O-CA 3.27Å; P45-S64 PolarHBondContact O-OG 3.41Å; D47-S64 PolarHBondContact OD1-N 2.8Å; S64-S66 PolarHBondContact O-N 3.22Å; S64-L67 WeakPolarHBondContact O-CA 3.47Å; S64-L67 WeakPolarHBondContact O-CB 3.43Å; S64-L67 PolarHBondContact O-N 2.83Å; S64-I68 PolarHBondContact O-N 2.86Å
65L87.7Confident88.4Confident2 Ų223.6 Ų23.61%0.0113%0.129CC..Hα-helixtrans-48.9-50-172.7-177.361.3000113.7D47 W60 F63 L67 I68 D69 R110 V111D47-L65 HydrophobicContact CB-CB 3.85Å; D47-L65 PolarHBondContact OD1-N 2.61Å; W60-L65 HydrophobicContact CB-CD2 4.45Å; W60-L65 VanDerWaalsContact CD1-CD2 3.43Å; W60-L65 HydrophobicContact CG-CD2 4.26Å; F63-L65 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.44Å; L65-L67 VanDerWaalsContact O-N 3.12Å; L65-I68 PolarHBondContact O-N 2.95Å; L65-D69 WeakPolarHBondContact O-CB 3.46Å; L65-D69 PolarHBondContact O-N 3.27Å; L65-R110 HydrophobicContact CD1-CB 3.81Å; L65-R110 HydrophobicContact CD1-CG 4.48Å; L65-V111 HydrophobicContact CD1-CG2 4.11Å
66S91.5Very high88.3Confident0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-58.5-28.2178-59.30000113.1D47 S64 A70 S416D47-S66 VanDerWaalsContact O-CB 3.27Å; D47-S66 WeakPolarHBondContact O-CB 3.38Å; D47-S66 PolarHBondContact O-N 2.92Å; D47-S66 PolarHBondContact O-OG 3.22Å; S64-S66 PolarHBondContact O-N 3.22Å; S66-A70 WeakPolarHBondContact O-CB 3.31Å; S66-A70 PolarHBondContact O-N 3.34Å; S66-A70 VanDerWaalsContact O-N 3.11Å; S66-S416 WeakPolarHBondContact OG-CB 3.46Å
67L93Very high88.4Confident2 Ų217.9 Ų17.91%0.0110%0.098CC..Hα-helixtrans-70.4-44176-167.467.4000111.7Y36 Y39 I40 F44 S64 L65 V86 I89 V90Y36-L67 HydrophobicContact CE2-CD1 4.44Å; Y39-L67 HydrophobicContact CE1-CB 3.92Å; Y39-L67 HydrophobicContact CE1-CD1 4.25Å; I40-L67 HydrophobicContact CD1-CD1 3.7Å; F44-L67 HydrophobicContact CD2-CD2 4.01Å; F44-L67 HydrophobicContact CE2-CD2 3.66Å; S64-L67 WeakPolarHBondContact O-CA 3.47Å; S64-L67 WeakPolarHBondContact O-CB 3.43Å; S64-L67 PolarHBondContact O-N 2.83Å; L65-L67 PolarHBondContact O-N 3.44Å; L65-L67 VanDerWaalsContact O-N 3.12Å; L67-V86 HydrophobicContact CD1-CB 4.29Å; L67-V86 HydrophobicContact CD1-CG1 3.42Å; L67-V86 VanDerWaalsContact CD1-CG1 3.42Å; L67-V86 HydrophobicContact CD1-CG2 3.86Å; L67-V86 HydrophobicContact CD2-CG1 4Å; L67-V86 HydrophobicContact CG-CG1 3.37Å; L67-I89 HydrophobicContact CD2-CG2 3.91Å; L67-V90 HydrophobicContact CD2-CG2 4.06Å; L67-V90 HydrophobicContact CG-CG2 4.36Å
68I94.8Very high88.4Confident0 Ų018.1 Ų18.10%011%0.111CC..Hα-helixtrans-68-47177-61.5176.6000109.8F63 S64 L65 A70 L71 V90 F94 V111 L115F63-I68 HydrophobicContact CB-CD1 4.29Å; S64-I68 PolarHBondContact O-N 2.86Å; L65-I68 PolarHBondContact O-N 2.95Å; I68-A70 PolarHBondContact O-N 2.91Å; I68-L71 WeakPolarHBondContact O-CB 3.34Å; I68-L71 PolarHBondContact O-N 3.41Å; I68-V90 HydrophobicContact CD1-CG1 4.36Å; I68-V90 HydrophobicContact CG1-CG1 4.13Å; I68-V90 HydrophobicContact CG1-CG2 3.98Å; I68-F94 HydrophobicContact CD1-CD2 3.84Å; I68-F94 HydrophobicContact CD1-CE2 3.82Å; I68-V111 HydrophobicContact CD1-CG1 4.11Å; I68-L115 HydrophobicContact CG2-CG 4.46Å
69D95.2Very high88.7Confident0 Ų017.3 Ų17.30%011%0.106CC..Hα-helixtrans-60.6-33.5-178.6-80.95.6000111.8L65 R110 S416 A420 H467L65-D69 WeakPolarHBondContact O-CB 3.46Å; L65-D69 PolarHBondContact O-N 3.27Å; D69-R110 WeakPolarHBondContact OD1-CB 3.46Å; D69-R110 IonicContact OD2-NH1 3.32Å; D69-R110 PolarHBondContact OD2-NH1 2.01Å; D69-R110 VanDerWaalsContact OD2-NH1 3.15Å; D69-S416 WeakPolarHBondContact OD2-CB 3.14Å; D69-S416 PolarHBondContact OD2-OG 3.13Å; D69-A420 HydrophobicContact CB-CB 3.7Å; D69-A420 WeakPolarHBondContact O-CB 2.94Å; D69-H467 IonicContact OD1-NE2 3.2Å
70A97.1Very high89.5Confident0 Ų018.7 Ų18.70%011%0.11CC..THydrogen-bonded Turntrans-80.7-12-179.200000115.1F32 Y36 S66 I68 D72 T73 L74 L419F32-A70 HydrophobicContact CE2-CB 4.41Å; F32-A70 HydrophobicContact CZ-CB 4.31Å; Y36-A70 HydrophobicContact CD2-CB 3.94Å; Y36-A70 HydrophobicContact CE2-CB 4.05Å; S66-A70 WeakPolarHBondContact O-CB 3.31Å; S66-A70 PolarHBondContact O-N 3.34Å; S66-A70 VanDerWaalsContact O-N 3.11Å; I68-A70 PolarHBondContact O-N 2.91Å; A70-D72 PolarHBondContact O-N 3.12Å; A70-T73 PolarHBondContact O-N 3.12Å; A70-L74 WeakPolarHBondContact O-CG 3.23Å; A70-L74 PolarHBondContact O-N 2.94Å; A70-L419 HydrophobicContact CB-CB 4.32Å
71L95.6Very high90.7Very high1 Ų119.2 Ų19.21%0.00513%0.126CC..Hα-helixtrans-55.6-50.7-172.2-87.4167.6000112.7I68 L74 M75 F83 V86 A87 V90 A118I68-L71 WeakPolarHBondContact O-CB 3.34Å; I68-L71 PolarHBondContact O-N 3.41Å; L71-L74 WeakPolarHBondContact O-CB 3.32Å; L71-L74 PolarHBondContact O-N 2.97Å; L71-M75 PolarHBondContact O-N 3.25Å; L71-F83 HydrophobicContact CB-CD2 4.26Å; L71-F83 HydrophobicContact CB-CE2 4.17Å; L71-F83 HydrophobicContact CD2-CD2 3.63Å; L71-F83 HydrophobicContact CD2-CE2 3.83Å; L71-F83 WeakPolarHBondContact O-CD2 3.16Å; L71-V86 HydrophobicContact CD2-CB 3.77Å; L71-V86 HydrophobicContact CD2-CG1 3.5Å; L71-V86 HydrophobicContact CG-CG1 3.92Å; L71-A87 HydrophobicContact CD2-CB 4.18Å; L71-V90 HydrophobicContact CD1-CG2 4.43Å; L71-A118 HydrophobicContact CB-CB 4.12Å; L71-A118 HydrophobicContact CD1-CB 3.93Å
72D95.1Very high92Very high0 Ų020.1 Ų20.10%013%0.128CC..Hα-helixtrans-75.7-30.4-178.458.74.6000112.8A70 L74 M75 I76 S117 L121 K424 H467A70-D72 PolarHBondContact O-N 3.12Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact O-N 2.91Å; D72-M75 WeakPolarHBondContact O-CB 3.44Å; D72-M75 PolarHBondContact O-N 3.01Å; D72-M75 VanDerWaalsContact O-N 3.17Å; D72-I76 VanDerWaalsContact O-CG1 3.25Å; D72-I76 WeakPolarHBondContact O-CG1 3.47Å; D72-I76 PolarHBondContact O-N 2.92Å; D72-S117 WeakPolarHBondContact CB-OG 3.43Å; D72-S117 VanDerWaalsContact CG-OG 3.3Å; D72-S117 WeakPolarHBondContact OD2-CB 3.38Å; D72-S117 PolarHBondContact OD2-OG 2.83Å; D72-L121 HydrophobicContact CB-CD1 3.56Å; D72-K424 WeakPolarHBondContact OD1-CE 3.33Å; D72-K424 IonicContact OD1-NZ 2.63Å; D72-K424 PolarHBondContact OD1-NZ 3.01Å; D72-K424 IonicContact OD2-NZ 3.35Å; D72-K424 PolarHBondContact OD2-NZ 3.38Å; D72-H467 IonicContact OD1-ND1 3.88Å; D72-H467 VanDerWaalsContact OD2-CA 3.31Å; D72-H467 WeakPolarHBondContact OD2-CA 3.38Å; D72-H467 IonicContact OD2-CE1 2.79Å; D72-H467 IonicContact OD2-CG 2.82Å; D72-H467 IonicContact OD2-ND1 2.63Å; D72-H467 PolarHBondContact OD2-ND1 3.26Å
73T97.9Very high92.9Very high0 Ų017 Ų170%011%0.106CC..Hα-helixtrans-60-42.9169.3-50.50000111.3F32 A70 M75 I76 M77 L419 K424F32-T73 HydrophobicContact CD2-CG2 3.55Å; F32-T73 HydrophobicContact CE2-CG2 3.29Å; F32-T73 HydrophobicContact CG-CG2 4.27Å; F32-T73 HydrophobicContact CZ-CG2 3.83Å; A70-T73 PolarHBondContact O-N 3.12Å; T73-M75 VanDerWaalsContact C-N 3.26Å; T73-M75 PolarHBondContact O-N 3.28Å; T73-I76 PolarHBondContact O-N 3.44Å; T73-M77 HydrophobicContact CG2-CE 3.62Å; T73-M77 HydrophobicContact CG2-CG 4.22Å; T73-M77 HydrophobicContact CG2-SD 4.2Å; T73-M77 WeakPolarHBondContact O-CB 3.33Å; T73-M77 WeakPolarHBondContact O-CG 3.11Å; T73-M77 PolarHBondContact O-N 3.36Å; T73-L419 WeakPolarHBondContact CG2-O 3.45Å; T73-L419 PolarHBondContact OG1-O 3.1Å; T73-K424 HydrophobicContact CG2-CB 4.27Å; T73-K424 WeakPolarHBondContact OG1-CE 3.25Å
74L97.1Very high93.8Very high0 Ų018.2 Ų18.20%011%0.113CC..Hα-helixtrans-56.9-42174.7-72.1165.7000111.3F32 Y36 A70 L71 D72 G78 N79 E82 F83 V86F32-L74 HydrophobicContact CE1-CD2 3.76Å; F32-L74 HydrophobicContact CE1-CG 4.36Å; F32-L74 HydrophobicContact CZ-CD2 3.97Å; F32-L74 HydrophobicContact CZ-CG 4.09Å; Y36-L74 HydrophobicContact CD1-CD2 4.47Å; Y36-L74 HydrophobicContact CE1-CD2 4.24Å; Y36-L74 HydrophobicContact CE2-CD1 4.1Å; A70-L74 WeakPolarHBondContact O-CG 3.23Å; A70-L74 PolarHBondContact O-N 2.94Å; L71-L74 WeakPolarHBondContact O-CB 3.32Å; L71-L74 PolarHBondContact O-N 2.97Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact O-N 2.91Å; L74-G78 PolarHBondContact O-N 3.4Å; L74-N79 HydrophobicContact CD2-CB 4.14Å; L74-N79 WeakPolarHBondContact O-CA 3.12Å; L74-N79 PolarHBondContact O-N 2.83Å; L74-E82 HydrophobicContact CD1-CG 3.95Å; L74-E82 HydrophobicContact CD2-CB 4.19Å; L74-E82 HydrophobicContact CD2-CG 3.86Å; L74-F83 HydrophobicContact CB-CB 4.3Å; L74-V86 HydrophobicContact CD1-CG2 4.05Å
75M93Very high94.3Very high9 Ų922.6 Ų22.64%0.04413%0.128CC..Hα-helixtrans-67.9-44.3176.1-75-58.7-6200112.9L71 D72 T73 M77 G78 H80 F83 L121 N124 A125L71-M75 PolarHBondContact O-N 3.25Å; D72-M75 WeakPolarHBondContact O-CB 3.44Å; D72-M75 PolarHBondContact O-N 3.01Å; D72-M75 VanDerWaalsContact O-N 3.17Å; T73-M75 VanDerWaalsContact C-N 3.26Å; T73-M75 PolarHBondContact O-N 3.28Å; M75-M77 VanDerWaalsContact C-N 3.3Å; M75-M77 PolarHBondContact O-N 2.74Å; M75-G78 PolarHBondContact O-N 3.33Å; M75-G78 VanDerWaalsContact O-N 3.1Å; M75-H80 HydrophobicContact SD-CB 4.38Å; M75-F83 HydrophobicContact CG-CB 3.88Å; M75-F83 HydrophobicContact CG-CD1 3.9Å; M75-F83 HydrophobicContact CG-CD2 3.25Å; M75-F83 HydrophobicContact CG-CE1 4.22Å; M75-F83 HydrophobicContact CG-CE2 3.59Å; M75-F83 HydrophobicContact CG-CG 3.38Å; M75-F83 HydrophobicContact CG-CZ 4.07Å; M75-F83 HydrophobicContact SD-CB 3.53Å; M75-F83 VanDerWaalsContact SD-CB 3.53Å; M75-F83 HydrophobicContact SD-CD1 3.43Å; M75-F83 WeakPolarHBondContact SD-CD1 3.37Å; M75-F83 HydrophobicContact SD-CD2 3.9Å; M75-F83 HydrophobicContact SD-CE1 4.07Å; M75-F83 HydrophobicContact SD-CE2 4.43Å; M75-F83 HydrophobicContact SD-CG 3.32Å; M75-F83 WeakPolarHBondContact SD-CG 3.34Å; M75-L121 HydrophobicContact CB-CB 4.35Å; M75-L121 HydrophobicContact CB-CD1 4.05Å; M75-L121 HydrophobicContact CG-CB 4.32Å; M75-N124 HydrophobicContact CE-CB 3.62Å; M75-A125 HydrophobicContact CE-CB 3.9Å; M75-A125 HydrophobicContact SD-CB 3.93Å
76I94.4Very high94.6Very high3 Ų322.5 Ų22.52%0.01513%0.127CC..Hα-helixtrans-60.8-41177.6-69.6163.7000110.7D72 T73 G78 K424 Y427 L428 H434 M436 I468D72-I76 VanDerWaalsContact O-CG1 3.25Å; D72-I76 WeakPolarHBondContact O-CG1 3.47Å; D72-I76 PolarHBondContact O-N 2.92Å; T73-I76 PolarHBondContact O-N 3.44Å; I76-G78 PolarHBondContact O-N 2.84Å; I76-K424 HydrophobicContact CD1-CD 3.42Å; I76-K424 VanDerWaalsContact CD1-CD 3.42Å; I76-K424 HydrophobicContact CD1-CG 3.58Å; I76-Y427 HydrophobicContact CG2-CD1 3.96Å; I76-Y427 HydrophobicContact CG2-CE1 4.08Å; I76-L428 HydrophobicContact CG2-CD2 3.95Å; I76-L428 HydrophobicContact CG2-CG 4.33Å; I76-H434 PolarHBondContact O-NE2 2.84Å; I76-H434 VanDerWaalsContact O-NE2 3.13Å; I76-M436 HydrophobicContact CG1-CE 4.03Å; I76-M436 HydrophobicContact CG1-CG 4.36Å; I76-I468 HydrophobicContact CD1-CD1 3.52Å; I76-I468 HydrophobicContact CG1-CD1 3.97Å
77M96.3Very high94.7Very high4 Ų422.6 Ų22.62%0.0213%0.128CC..THydrogen-bonded Turntrans-82.14.2179-62.2-164.8-175.500113.8V28 K29 F32 T73 M75 Y427V28-M77 HydrophobicContact CG1-CE 4.43Å; K29-M77 HydrophobicContact CB-SD 4.27Å; K29-M77 HydrophobicContact CG-SD 4.09Å; K29-M77 PolarHBondContact NZ-O 3.45Å; F32-M77 HydrophobicContact CB-CE 3.66Å; F32-M77 HydrophobicContact CB-SD 3.74Å; F32-M77 HydrophobicContact CD1-CE 4.38Å; F32-M77 HydrophobicContact CD1-SD 3.63Å; F32-M77 HydrophobicContact CD2-CE 4.11Å; F32-M77 HydrophobicContact CD2-SD 4.38Å; F32-M77 HydrophobicContact CE1-SD 4.38Å; F32-M77 HydrophobicContact CG-CE 3.78Å; F32-M77 HydrophobicContact CG-SD 3.64Å; T73-M77 HydrophobicContact CG2-CE 3.62Å; T73-M77 HydrophobicContact CG2-CG 4.22Å; T73-M77 HydrophobicContact CG2-SD 4.2Å; T73-M77 WeakPolarHBondContact O-CB 3.33Å; T73-M77 WeakPolarHBondContact O-CG 3.11Å; T73-M77 PolarHBondContact O-N 3.36Å; M75-M77 VanDerWaalsContact C-N 3.3Å; M75-M77 PolarHBondContact O-N 2.74Å; M77-Y427 HydrophobicContact CE-CD2 4.14Å; M77-Y427 HydrophobicContact CE-CG 4.05Å; M77-Y427 HydrophobicContact CG-CD1 4.33Å; M77-Y427 HydrophobicContact CG-CD2 4.19Å; M77-Y427 HydrophobicContact CG-CE1 4.36Å; M77-Y427 HydrophobicContact CG-CE2 4.22Å; M77-Y427 HydrophobicContact CG-CG 4.25Å; M77-Y427 HydrophobicContact SD-CD2 4.34Å
78G92.9Very high94.6Very high46 Ų4626.2 Ų26.247%0.47415%0.147SC..THydrogen-bonded Turntrans80.614.7173.900000115.6L74 M75 I76 H80L74-G78 PolarHBondContact O-N 3.4Å; M75-G78 PolarHBondContact O-N 3.33Å; M75-G78 VanDerWaalsContact O-N 3.1Å; I76-G78 PolarHBondContact O-N 2.84Å; G78-H80 VanDerWaalsContact C-N 3.35Å; G78-H80 PolarHBondContact O-N 2.74Å
79N94.8Very high94.5Very high55 Ų5528 Ų2829%0.29416%0.156SC..  trans-89.267178.2-164.9-7.9000111.9L74 S81 E82 F83L74-N79 HydrophobicContact CD2-CB 4.14Å; L74-N79 WeakPolarHBondContact O-CA 3.12Å; L74-N79 PolarHBondContact O-N 2.83Å; N79-S81 VanDerWaalsContact C-N 3.32Å; N79-S81 PolarHBondContact O-N 3.36Å; N79-E82 HydrophobicContact CB-CB 4.44Å; N79-E82 VanDerWaalsContact CG-CB 3.41Å; N79-E82 WeakPolarHBondContact ND2-CB 3.31Å; N79-E82 PolarHBondContact O-N 3.36Å; N79-E82 VanDerWaalsContact OD1-CB 3.24Å; N79-E82 WeakPolarHBondContact OD1-CB 3.45Å; N79-E82 PolarHBondContact OD1-N 3.08Å; N79-F83 PolarHBondContact O-N 3.03Å
80H92.9Very high94.4Very high77 Ų7728.4 Ų28.436%0.35616%0.159SC..Hα-helixtrans-67.2-31.1-175-55.9171.2000113.4M75 G78 N84 A125M75-H80 HydrophobicContact SD-CB 4.38Å; G78-H80 VanDerWaalsContact C-N 3.35Å; G78-H80 PolarHBondContact O-N 2.74Å; H80-N84 PolarHBondContact O-N 3.35Å; H80-N84 PolarHBondContact O-ND2 3.2Å; H80-A125 HydrophobicContact CB-CB 4.45Å
81S93.2Very high94.1Very high97 Ų9730.5 Ų30.568%0.67817%0.17SC*.Hα-helixtrans-64.5-46.7177.8-174.10000110.6N79 N84 R85N79-S81 VanDerWaalsContact C-N 3.32Å; N79-S81 PolarHBondContact O-N 3.36Å; S81-N84 PolarHBondContact O-N 3.03Å; S81-R85 PolarHBondContact O-N 3.4Å; S81-R85 VanDerWaalsContact O-N 3.12Å
82E95Very high93.8Very high31 Ų3137.5 Ų37.515%0.14520%0.202CC..Hα-helixtrans-70.4-40.4179.2-174.662.4175.900111.6Y36 L74 N79 N84 R85 V86Y36-E82 HydrophobicContact CE1-CG 3.76Å; Y36-E82 VanDerWaalsContact CE1-OE1 3.3Å; Y36-E82 WeakPolarHBondContact CE1-OE1 3.13Å; Y36-E82 WeakPolarHBondContact OH-CG 3.24Å; Y36-E82 PolarHBondContact OH-OE1 3.33Å; L74-E82 HydrophobicContact CD1-CG 3.95Å; L74-E82 HydrophobicContact CD2-CB 4.19Å; L74-E82 HydrophobicContact CD2-CG 3.86Å; N79-E82 HydrophobicContact CB-CB 4.44Å; N79-E82 VanDerWaalsContact CG-CB 3.41Å; N79-E82 WeakPolarHBondContact ND2-CB 3.31Å; N79-E82 PolarHBondContact O-N 3.36Å; N79-E82 VanDerWaalsContact OD1-CB 3.24Å; N79-E82 WeakPolarHBondContact OD1-CB 3.45Å; N79-E82 PolarHBondContact OD1-N 3.08Å; E82-N84 VanDerWaalsContact C-N 3.28Å; E82-N84 PolarHBondContact O-N 2.88Å; E82-R85 PolarHBondContact O-N 3.12Å; E82-R85 VanDerWaalsContact O-N 3.14Å; E82-R85 IonicContact OE1-CZ 3.6Å; E82-R85 IonicContact OE1-NE 3.65Å; E82-R85 PolarHBondContact OE1-NE 3.29Å; E82-R85 IonicContact OE1-NH2 3.33Å; E82-R85 PolarHBondContact OE1-NH2 3.03Å; E82-R85 IonicContact OE2-CZ 3.35Å; E82-R85 IonicContact OE2-NE 3.7Å; E82-R85 PolarHBondContact OE2-NE 3.18Å; E82-R85 IonicContact OE2-NH2 2.76Å; E82-V86 HydrophobicContact CG-CG2 4.13Å; E82-V86 WeakPolarHBondContact O-CB 3.44Å; E82-V86 WeakPolarHBondContact O-CG2 3.45Å; E82-V86 PolarHBondContact O-N 3Å
83F95.1Very high93.4Very high1 Ų140.8 Ų40.80%0.00423%0.229CC..Hα-helixtrans-51.5-47.9171.1171.1-97.5000112.2L71 L74 M75 N79 R85 V86 A87 A118 A125L71-F83 HydrophobicContact CB-CD2 4.26Å; L71-F83 HydrophobicContact CB-CE2 4.17Å; L71-F83 HydrophobicContact CD2-CD2 3.63Å; L71-F83 HydrophobicContact CD2-CE2 3.83Å; L71-F83 WeakPolarHBondContact O-CD2 3.16Å; L74-F83 HydrophobicContact CB-CB 4.3Å; M75-F83 HydrophobicContact CG-CB 3.88Å; M75-F83 HydrophobicContact CG-CD1 3.9Å; M75-F83 HydrophobicContact CG-CD2 3.25Å; M75-F83 HydrophobicContact CG-CE1 4.22Å; M75-F83 HydrophobicContact CG-CE2 3.59Å; M75-F83 HydrophobicContact CG-CG 3.38Å; M75-F83 HydrophobicContact CG-CZ 4.07Å; M75-F83 HydrophobicContact SD-CB 3.53Å; M75-F83 VanDerWaalsContact SD-CB 3.53Å; M75-F83 HydrophobicContact SD-CD1 3.43Å; M75-F83 WeakPolarHBondContact SD-CD1 3.37Å; M75-F83 HydrophobicContact SD-CD2 3.9Å; M75-F83 HydrophobicContact SD-CE1 4.07Å; M75-F83 HydrophobicContact SD-CE2 4.43Å; M75-F83 HydrophobicContact SD-CG 3.32Å; M75-F83 WeakPolarHBondContact SD-CG 3.34Å; N79-F83 PolarHBondContact O-N 3.03Å; F83-R85 PolarHBondContact O-N 3.42Å; F83-V86 PolarHBondContact O-N 2.79Å; F83-A87 VanDerWaalsContact O-CB 3.26Å; F83-A87 WeakPolarHBondContact O-CB 3.15Å; F83-A87 PolarHBondContact O-N 3.17Å; F83-A118 HydrophobicContact CE2-CB 3.83Å; F83-A118 HydrophobicContact CZ-CB 4.09Å; F83-A118 WeakPolarHBondContact CZ-O 3.19Å; F83-A125 HydrophobicContact CD1-CB 3.67Å; F83-A125 HydrophobicContact CE1-CB 3.89Å
84N93.3Very high92.9Very high42 Ų4241.9 Ų41.923%0.22523%0.234CC..Hα-helixtrans-62.8-43.4179.2-79.5-35.1000112.1H80 S81 E82 V86 D88 A125 S127H80-N84 PolarHBondContact O-N 3.35Å; H80-N84 PolarHBondContact O-ND2 3.2Å; S81-N84 PolarHBondContact O-N 3.03Å; E82-N84 VanDerWaalsContact C-N 3.28Å; E82-N84 PolarHBondContact O-N 2.88Å; N84-V86 VanDerWaalsContact C-N 3.35Å; N84-D88 WeakPolarHBondContact O-CB 3.39Å; N84-D88 PolarHBondContact O-N 3.48Å; N84-D88 VanDerWaalsContact O-N 3.11Å; N84-A125 PolarHBondContact ND2-O 2.87Å; N84-S127 WeakPolarHBondContact OD1-CB 3.5Å; N84-S127 PolarHBondContact OD1-OG 2.89Å
85R93.9Very high92.6Very high105 Ų10546.2 Ų46.240%0.39626%0.257SS..Hα-helixtrans-60.4-45.8176.6-171.6-174.877.788.5-1.3111.2S81 E82 F83 D88 I89S81-R85 PolarHBondContact O-N 3.4Å; S81-R85 VanDerWaalsContact O-N 3.12Å; E82-R85 PolarHBondContact O-N 3.12Å; E82-R85 VanDerWaalsContact O-N 3.14Å; E82-R85 IonicContact OE1-CZ 3.6Å; E82-R85 IonicContact OE1-NE 3.65Å; E82-R85 PolarHBondContact OE1-NE 3.29Å; E82-R85 IonicContact OE1-NH2 3.33Å; E82-R85 PolarHBondContact OE1-NH2 3.03Å; E82-R85 IonicContact OE2-CZ 3.35Å; E82-R85 IonicContact OE2-NE 3.7Å; E82-R85 PolarHBondContact OE2-NE 3.18Å; E82-R85 IonicContact OE2-NH2 2.76Å; F83-R85 PolarHBondContact O-N 3.42Å; R85-D88 PolarHBondContact O-N 3.46Å; R85-I89 HydrophobicContact CG-CD1 4.29Å; R85-I89 WeakPolarHBondContact O-CG1 3.35Å; R85-I89 PolarHBondContact O-N 2.89Å; R85-I89 VanDerWaalsContact O-N 3.12Å
86V93.9Very high92.5Very high0 Ų047 Ų470%026%0.262CS..Hα-helixtrans-69.2-43.8-178177.40000111.6Y36 L67 L71 L74 E82 F83 N84 D88 I89 V90Y36-V86 WeakPolarHBondContact OH-CG2 3.3Å; L67-V86 HydrophobicContact CD1-CB 4.29Å; L67-V86 HydrophobicContact CD1-CG1 3.42Å; L67-V86 VanDerWaalsContact CD1-CG1 3.42Å; L67-V86 HydrophobicContact CD1-CG2 3.86Å; L67-V86 HydrophobicContact CD2-CG1 4Å; L67-V86 HydrophobicContact CG-CG1 3.37Å; L71-V86 HydrophobicContact CD2-CB 3.77Å; L71-V86 HydrophobicContact CD2-CG1 3.5Å; L71-V86 HydrophobicContact CG-CG1 3.92Å; L74-V86 HydrophobicContact CD1-CG2 4.05Å; E82-V86 HydrophobicContact CG-CG2 4.13Å; E82-V86 WeakPolarHBondContact O-CB 3.44Å; E82-V86 WeakPolarHBondContact O-CG2 3.45Å; E82-V86 PolarHBondContact O-N 3Å; F83-V86 PolarHBondContact O-N 2.79Å; N84-V86 VanDerWaalsContact C-N 3.35Å; V86-D88 VanDerWaalsContact C-N 3.25Å; V86-D88 PolarHBondContact O-N 3.48Å; V86-I89 PolarHBondContact O-N 3.34Å; V86-I89 VanDerWaalsContact O-N 3.13Å; V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CG2 3.28Å; V86-V90 PolarHBondContact O-N 3.44Å
87A93.3Very high92.3Very high2 Ų249.5 Ų49.52%0.01728%0.278CS..Hα-helixtrans-58.8-40.3177.100000111.3L71 F83 V90 L91 I139L71-A87 HydrophobicContact CD2-CB 4.18Å; F83-A87 VanDerWaalsContact O-CB 3.26Å; F83-A87 WeakPolarHBondContact O-CB 3.15Å; F83-A87 PolarHBondContact O-N 3.17Å; A87-V90 PolarHBondContact O-N 2.89Å; A87-L91 WeakPolarHBondContact O-CB 3.44Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.46Å; A87-I139 HydrophobicContact CB-CD1 4.16Å
88D92.3Very high92.1Very high77 Ų7750.5 Ų50.541%0.41229%0.286SS..Hα-helixtrans-62.6-45.4174.3-171.563.6000112.3N84 R85 V86 V90 L91 H92N84-D88 WeakPolarHBondContact O-CB 3.39Å; N84-D88 PolarHBondContact O-N 3.48Å; N84-D88 VanDerWaalsContact O-N 3.11Å; R85-D88 PolarHBondContact O-N 3.46Å; V86-D88 VanDerWaalsContact C-N 3.25Å; V86-D88 PolarHBondContact O-N 3.48Å; D88-V90 PolarHBondContact O-N 3Å; D88-L91 PolarHBondContact O-N 3.13Å; D88-H92 PolarHBondContact O-N 2.81Å; D88-H92 PolarHBondContact O-ND1 3.15Å; D88-H92 IonicContact OD1-CE1 2.98Å; D88-H92 PolarHBondContact OD1-CE1 3.36Å; D88-H92 IonicContact OD1-ND1 2.88Å; D88-H92 PolarHBondContact OD1-ND1 2.97Å; D88-H92 IonicContact OD2-ND1 3.09Å
89I92.5Very high92.1Very high39 Ų3953.9 Ų53.920%0.229%0.294CS..Hα-helixtrans-59.4-47.8176.2-69.3166000111.1F44 L67 R85 V86 L91 H92 A93F44-I89 HydrophobicContact CE2-CG2 4.03Å; F44-I89 HydrophobicContact CZ-CG2 3.84Å; L67-I89 HydrophobicContact CD2-CG2 3.91Å; R85-I89 HydrophobicContact CG-CD1 4.29Å; R85-I89 WeakPolarHBondContact O-CG1 3.35Å; R85-I89 PolarHBondContact O-N 2.89Å; R85-I89 VanDerWaalsContact O-N 3.12Å; V86-I89 PolarHBondContact O-N 3.34Å; V86-I89 VanDerWaalsContact O-N 3.13Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 PolarHBondContact O-N 2.94Å; I89-H92 PolarHBondContact O-N 3.35Å; I89-A93 WeakPolarHBondContact O-CB 3.4Å; I89-A93 PolarHBondContact O-N 3.47Å
90V92.3Very high92Very high8 Ų853 Ų535%0.04829%0.29CS..Hα-helixtrans-61.9-42.7-178.8170.90000111.1L67 I68 L71 V86 A87 D88 H92 F94 L115 L142L67-V90 HydrophobicContact CD2-CG2 4.06Å; L67-V90 HydrophobicContact CG-CG2 4.36Å; I68-V90 HydrophobicContact CD1-CG1 4.36Å; I68-V90 HydrophobicContact CG1-CG1 4.13Å; I68-V90 HydrophobicContact CG1-CG2 3.98Å; L71-V90 HydrophobicContact CD1-CG2 4.43Å; V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CG2 3.28Å; V86-V90 PolarHBondContact O-N 3.44Å; A87-V90 PolarHBondContact O-N 2.89Å; D88-V90 PolarHBondContact O-N 3Å; V90-H92 VanDerWaalsContact C-N 3.28Å; V90-H92 PolarHBondContact O-N 3.09Å; V90-F94 VanDerWaalsContact O-CB 3.3Å; V90-F94 WeakPolarHBondContact O-CB 3.25Å; V90-F94 PolarHBondContact O-N 3.48Å; V90-L115 HydrophobicContact CG1-CD2 3.81Å; V90-L142 HydrophobicContact CG1-CD2 3.97Å
91L91.8Very high92Very high44 Ų4453.1 Ų53.123%0.2329%0.293CS..Hα-helixtrans-61.5-34.4177.8-76.4171.9000113.2A87 D88 I89 N129 P138 I139 L142A87-L91 WeakPolarHBondContact O-CB 3.44Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.46Å; D88-L91 PolarHBondContact O-N 3.13Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 PolarHBondContact O-N 2.94Å; L91-N129 HydrophobicContact CD1-CB 4.43Å; L91-N129 VanDerWaalsContact CD1-CG 3.5Å; L91-N129 WeakPolarHBondContact CD1-OD1 3.28Å; L91-P138 HydrophobicContact CD1-CB 4.18Å; L91-P138 HydrophobicContact CD1-CG 4.34Å; L91-P138 HydrophobicContact CD2-CB 4.05Å; L91-P138 WeakPolarHBondContact CD2-O 3.08Å; L91-I139 HydrophobicContact CD1-CG1 4.08Å; L91-I139 HydrophobicContact CD2-CG1 4.12Å; L91-I139 HydrophobicContact CG-CG1 4.29Å; L91-L142 HydrophobicContact CD2-CB 4.29Å; L91-L142 HydrophobicContact CD2-CD2 4.16Å
92H89.4Confident92Very high148 Ų14848.6 Ų48.669%0.68526%0.262SS*.Hα-helixtrans-90.5-31.8-178-69.595.6000113.8D88 I89 V90D88-H92 PolarHBondContact O-N 2.81Å; D88-H92 PolarHBondContact O-ND1 3.15Å; D88-H92 IonicContact OD1-CE1 2.98Å; D88-H92 PolarHBondContact OD1-CE1 3.36Å; D88-H92 IonicContact OD1-ND1 2.88Å; D88-H92 PolarHBondContact OD1-ND1 2.97Å; D88-H92 IonicContact OD2-ND1 3.09Å; I89-H92 PolarHBondContact O-N 3.35Å; V90-H92 VanDerWaalsContact C-N 3.28Å; V90-H92 PolarHBondContact O-N 3.09Å
93A85.7Confident92Very high68 Ų6848.2 Ų48.256%0.56226%0.263SS*.Hα-helixtrans-91.8-26.7-172.200000114.1I89 N95I89-A93 WeakPolarHBondContact O-CB 3.4Å; I89-A93 PolarHBondContact O-N 3.47Å; A93-N95 PolarHBondContact O-N 2.99Å
94F88.4Confident92.2Very high24 Ų2448.2 Ų48.211%0.10526%0.263CS..  trans-72.6112.1-170.5-164.4-73.7000112.8F63 I68 V90 T96 V111 L142 V146F63-F94 HydrophobicContact CB-CD2 4.24Å; F63-F94 HydrophobicContact CB-CE2 3.66Å; F63-F94 HydrophobicContact CB-CZ 4.46Å; F63-F94 HydrophobicContact CD1-CD2 4.1Å; F63-F94 HydrophobicContact CD1-CE1 4.12Å; F63-F94 AromaticContact CD1-CE2 3.31Å; F63-F94 HydrophobicContact CD1-CE2 3.31Å; F63-F94 AromaticContact CD1-CZ 3.3Å; F63-F94 HydrophobicContact CD1-CZ 3.3Å; F63-F94 HydrophobicContact CE1-CE1 4.3Å; F63-F94 HydrophobicContact CE1-CE2 4.19Å; F63-F94 AromaticContact CE1-CZ 3.71Å; F63-F94 HydrophobicContact CE1-CZ 3.71Å; F63-F94 AromaticContact CG-CE2 3.6Å; F63-F94 HydrophobicContact CG-CE2 3.6Å; F63-F94 AromaticContact CG-CZ 3.91Å; F63-F94 HydrophobicContact CG-CZ 3.91Å; I68-F94 HydrophobicContact CD1-CD2 3.84Å; I68-F94 HydrophobicContact CD1-CE2 3.82Å; V90-F94 VanDerWaalsContact O-CB 3.3Å; V90-F94 WeakPolarHBondContact O-CB 3.25Å; V90-F94 PolarHBondContact O-N 3.48Å; F94-T96 HydrophobicContact CD1-CG2 3.65Å; F94-T96 HydrophobicContact CE1-CG2 3.9Å; F94-T96 PolarHBondContact O-N 3.33Å; F94-V111 HydrophobicContact CE2-CG1 3.72Å; F94-V111 HydrophobicContact CZ-CG1 3.9Å; F94-L142 HydrophobicContact CB-CD1 4.34Å; F94-L142 HydrophobicContact CB-CD2 4.21Å; F94-L142 HydrophobicContact CD1-CD1 4.15Å; F94-L142 HydrophobicContact CG-CD1 4.43Å; F94-V146 HydrophobicContact CD1-CG2 4.27Å; F94-V146 HydrophobicContact CE1-CG2 3.59Å; F94-V146 HydrophobicContact CZ-CG2 3.86Å
95N90.5Very high92.4Very high90 Ų9047.8 Ų47.848%0.48126%0.259SS..  trans-88.294.6175.5-174.7-4.1000112.2A93 T97 A98A93-N95 PolarHBondContact O-N 2.99Å; N95-T97 PolarHBondContact O-N 3.3Å; N95-T97 WeakPolarHBondContact OD1-CA 3.24Å; N95-T97 PolarHBondContact OD1-N 3.04Å; N95-T97 PolarHBondContact OD1-OG1 2.99Å; N95-A98 HydrophobicContact CB-CB 4.27Å; N95-A98 PolarHBondContact O-N 3.1Å; N95-A98 PolarHBondContact OD1-N 3.48Å
96T90.5Very high92.5Very high25 Ų2544.3 Ų44.315%0.15325%0.247CC..THydrogen-bonded Turntrans-65.71.2176.464.10000115.2F94 L142 K145 V146 R149F94-T96 HydrophobicContact CD1-CG2 3.65Å; F94-T96 HydrophobicContact CE1-CG2 3.9Å; F94-T96 PolarHBondContact O-N 3.33Å; T96-L142 HydrophobicContact CG2-CD1 3.54Å; T96-K145 HydrophobicContact CG2-CB 3.95Å; T96-V146 HydrophobicContact CG2-CG2 4.07Å; T96-R149 VanDerWaalsContact O-CG 3.24Å; T96-R149 WeakPolarHBondContact O-CG 3.42Å; T96-R149 PolarHBondContact O-NE 2.88Å; T96-R149 VanDerWaalsContact O-NE 3.08Å
97T91.2Very high92.6Very high57 Ų5744.5 Ų44.535%0.3525%0.248SC..THydrogen-bonded Turntrans-128.214.4-179.457.30000113.2N95 H168N95-T97 PolarHBondContact O-N 3.3Å; N95-T97 WeakPolarHBondContact OD1-CA 3.24Å; N95-T97 PolarHBondContact OD1-N 3.04Å; N95-T97 PolarHBondContact OD1-OG1 2.99Å; T97-H168 PolarHBondContact O-ND1 3.29Å
98A91Very high92.9Very high24 Ų2444.4 Ų44.420%0.19825%0.247CC..  trans-56.4139.6177.900000110.8N95 V100 L167 H168N95-A98 HydrophobicContact CB-CB 4.27Å; N95-A98 PolarHBondContact O-N 3.1Å; N95-A98 PolarHBondContact OD1-N 3.48Å; A98-V100 HydrophobicContact CB-CG1 3.89Å; A98-V100 PolarHBondContact O-N 3.41Å; A98-L167 WeakPolarHBondContact O-CB 3.5Å; A98-H168 PolarHBondContact O-N 3.03Å
99N92.8Very high93.1Very high118 Ų11840.7 Ų40.763%0.63123%0.228SC*.SBendtrans-79.674.6173.6-177.211000109.8N166 H168 Y169N99-N166 PolarHBondContact OD1-ND2 3.32Å; N99-N166 PolarHBondContact OD1-OD1 3.44Å; N99-H168 HydrophobicContact CB-CB 4.11Å; N99-Y169 WeakPolarHBondContact OD1-CE1 3.41Å
100V91.9Very high93.3Very high36 Ų3639.5 Ų39.522%0.21822%0.221CC..  trans-138.5140.9-178.766.70000109.9F63 A98 V102 N166 L167F63-V100 HydrophobicContact CZ-CG1 4.21Å; A98-V100 HydrophobicContact CB-CG1 3.89Å; A98-V100 PolarHBondContact O-N 3.41Å; V100-V102 HydrophobicContact CG1-CG1 4.06Å; V100-N166 PolarHBondContact N-ND2 3.27Å; V100-N166 WeakPolarHBondContact O-CA 3.49Å; V100-N166 PolarHBondContact O-ND2 2.91Å; V100-L167 HydrophobicContact CG1-CD1 3.93Å; V100-L167 HydrophobicContact CG1-CG 4.29Å; V100-L167 PolarHBondContact O-N 2.85Å
101N93.1Very high93.5Very high79 Ų7939.2 Ų39.242%0.42222%0.219SC..EExtended strand (participates in β ladder)trans-84131.7172.6-67.1-13.3000108.8T164 V165 N166N101-T164 HydrophobicContact CB-CG2 3.92Å; N101-V165 WeakPolarHBondContact CA-O 3.37Å; N101-N166 WeakPolarHBondContact OD1-CB 3.17Å; N101-N166 PolarHBondContact OD1-ND2 3.24Å
102V94.7Very high93.8Very high2 Ų237.1 Ų37.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-127.1150.5-178.9-54.30000110.4F63 V100 V104 T107 L150 T164 V165 L167F63-V102 HydrophobicContact CE2-CG1 3.71Å; F63-V102 HydrophobicContact CZ-CG1 3.42Å; F63-V102 VanDerWaalsContact CZ-CG1 3.42Å; V100-V102 HydrophobicContact CG1-CG1 4.06Å; V102-V104 PolarHBondContact O-N 3.13Å; V102-T107 WeakPolarHBondContact CB-OG1 3.49Å; V102-T107 WeakPolarHBondContact CG2-OG1 3.5Å; V102-L150 HydrophobicContact CG2-CD2 4.19Å; V102-T164 WeakPolarHBondContact O-CA 3.47Å; V102-T164 VanDerWaalsContact O-CG2 3.31Å; V102-T164 WeakPolarHBondContact O-CG2 3.38Å; V102-V165 HydrophobicContact CG2-CG1 3.78Å; V102-V165 WeakPolarHBondContact CG2-O 3.5Å; V102-V165 PolarHBondContact N-O 3.06Å; V102-V165 PolarHBondContact O-N 3.18Å; V102-L167 HydrophobicContact CG1-CD1 3.96Å; V102-L167 HydrophobicContact CG1-CD2 4.26Å; V102-L167 HydrophobicContact CG1-CG 3.84Å; V102-L167 HydrophobicContact CG2-CD2 3.76Å; V102-L167 HydrophobicContact CG2-CG 4.15Å
103S95.2Very high94.2Very high24 Ų2430.1 Ų30.117%0.16818%0.175CC..EExtended strand (participates in β ladder)trans-67.8125.5166.5168.30000109.3F105 E106 T107S103-F105 VanDerWaalsContact C-N 3.3Å; S103-E106 WeakPolarHBondContact OG-CG 3.4Å; S103-E106 PolarHBondContact OG-N 3.47Å; S103-E106 VanDerWaalsContact OG-N 3.15Å; S103-T107 WeakPolarHBondContact O-CB 3.45Å; S103-T107 PolarHBondContact O-N 3.27Å; S103-T107 PolarHBondContact O-OG1 3.49Å
104V98Very high94.8Very high1 Ų126.9 Ų26.91%0.00615%0.149CC..Hα-helixtrans-66.7-37.7179.5-177.40000110.2V102 N108 L150 A153 F154 P161 Y162 G163 V165 F187V102-V104 PolarHBondContact O-N 3.13Å; V104-N108 WeakPolarHBondContact O-CB 3.37Å; V104-N108 PolarHBondContact O-N 3.33Å; V104-L150 HydrophobicContact CG1-CB 4.38Å; V104-L150 HydrophobicContact CG1-CD1 4.45Å; V104-A153 HydrophobicContact CG1-CB 4Å; V104-A153 HydrophobicContact CG2-CB 3.69Å; V104-F154 HydrophobicContact CG1-CE2 4.48Å; V104-P161 HydrophobicContact CG1-CB 4.46Å; V104-Y162 WeakPolarHBondContact CG2-O 3.48Å; V104-G163 WeakPolarHBondContact CG2-O 3.2Å; V104-G163 PolarHBondContact N-O 3.04Å; V104-V165 HydrophobicContact CG2-CB 3.88Å; V104-V165 HydrophobicContact CG2-CG1 3.72Å; V104-F187 HydrophobicContact CG1-CE1 3.77Å; V104-F187 HydrophobicContact CG1-CZ 3.73Å
105F97.8Very high95.2Very high33 Ų3325.8 Ų25.815%0.14514%0.144CC..Hα-helixtrans-66.1-58.1176.5174.7-95.9000111.3S103 T107 N108 I109 A182 T186S103-F105 VanDerWaalsContact C-N 3.3Å; F105-T107 PolarHBondContact O-N 3.25Å; F105-N108 WeakPolarHBondContact O-CB 3.46Å; F105-N108 PolarHBondContact O-N 2.94Å; F105-I109 HydrophobicContact CD1-CD1 3.81Å; F105-I109 HydrophobicContact CE1-CD1 3.27Å; F105-I109 HydrophobicContact CE1-CG1 4.41Å; F105-I109 HydrophobicContact CE2-CD1 4.44Å; F105-I109 HydrophobicContact CZ-CD1 3.64Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.45Å; F105-A182 HydrophobicContact CE2-CB 4.01Å; F105-A182 HydrophobicContact CZ-CB 4.45Å; F105-T186 HydrophobicContact CD2-CG2 4.29Å; F105-T186 VanDerWaalsContact CE2-CB 3.43Å; F105-T186 HydrophobicContact CE2-CG2 3.58Å; F105-T186 HydrophobicContact CZ-CG2 4.26Å
106E95.7Very high95.6Very high32 Ų3221.5 Ų21.515%0.1512%0.121CC..Hα-helixtrans-62.6-42-176.2-62.6-66.115800111.5W60 S103 N108 I109 R110W60-E106 HydrophobicContact CD2-CB 4.41Å; W60-E106 HydrophobicContact CD2-CG 4.15Å; W60-E106 HydrophobicContact CE3-CG 4.11Å; W60-E106 HydrophobicContact CH2-CG 4.15Å; W60-E106 HydrophobicContact CZ2-CG 4.2Å; W60-E106 HydrophobicContact CZ3-CG 4.11Å; S103-E106 WeakPolarHBondContact OG-CG 3.4Å; S103-E106 PolarHBondContact OG-N 3.47Å; S103-E106 VanDerWaalsContact OG-N 3.15Å; E106-N108 PolarHBondContact O-N 2.98Å; E106-I109 PolarHBondContact O-N 3.15Å; E106-R110 VanDerWaalsContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CB 3.4Å; E106-R110 PolarHBondContact O-N 3.21Å; E106-R110 IonicContact OE2-CZ 2.72Å; E106-R110 IonicContact OE2-NE 3.41Å; E106-R110 PolarHBondContact OE2-NE 3.28Å; E106-R110 IonicContact OE2-NH2 3.81Å
107T96.4Very high95.9Very high3 Ų320.3 Ų20.32%0.01811%0.114CC..Iπ-helixtrans-62.6-35177.4-53.50000111.3V102 S103 F105 V111 I112 V146 L150V102-T107 WeakPolarHBondContact CB-OG1 3.49Å; V102-T107 WeakPolarHBondContact CG2-OG1 3.5Å; S103-T107 WeakPolarHBondContact O-CB 3.45Å; S103-T107 PolarHBondContact O-N 3.27Å; S103-T107 PolarHBondContact O-OG1 3.49Å; F105-T107 PolarHBondContact O-N 3.25Å; T107-V111 HydrophobicContact CG2-CB 4.13Å; T107-V111 HydrophobicContact CG2-CG2 4.29Å; T107-V111 WeakPolarHBondContact O-CB 3.44Å; T107-V111 PolarHBondContact O-N 2.98Å; T107-I112 PolarHBondContact O-N 3.08Å; T107-V146 HydrophobicContact CG2-CG1 3.66Å; T107-L150 HydrophobicContact CG2-CD1 4.2Å; T107-L150 HydrophobicContact CG2-CD2 4.12Å
108N98.4Very high96Very high0 Ų017.6 Ų17.60%010%0.097CC..Iπ-helixtrans-67.7-59.1175.7179.273.4000111.1V104 F105 E106 R110 I112 G113 L150 T186 F187 E190 F191V104-N108 WeakPolarHBondContact O-CB 3.37Å; V104-N108 PolarHBondContact O-N 3.33Å; F105-N108 WeakPolarHBondContact O-CB 3.46Å; F105-N108 PolarHBondContact O-N 2.94Å; E106-N108 PolarHBondContact O-N 2.98Å; N108-R110 PolarHBondContact O-N 2.96Å; N108-I112 WeakPolarHBondContact O-CB 3.42Å; N108-I112 PolarHBondContact O-N 2.84Å; N108-G113 PolarHBondContact O-N 2.97Å; N108-L150 HydrophobicContact CB-CD1 4.28Å; N108-T186 PolarHBondContact ND2-O 3.24Å; N108-F187 HydrophobicContact CB-CD1 3.79Å; N108-F187 HydrophobicContact CB-CE1 3.69Å; N108-F187 VanDerWaalsContact CG-CD1 3.49Å; N108-E190 PolarHBondContact ND2-OE2 3Å; N108-E190 WeakPolarHBondContact OD1-CB 3.28Å; N108-F191 VanDerWaalsContact OD1-CD2 3.29Å; N108-F191 WeakPolarHBondContact OD1-CD2 3.49Å; N108-F191 VanDerWaalsContact OD1-CE2 3.32Å; N108-F191 WeakPolarHBondContact OD1-CE2 3.27Å
109I98.2Very high96.2Very high0 Ų016.4 Ų16.40%09%0.088CC..Iπ-helixtrans-70.2-33.5-170.364.3177000112.7F105 E106 T186 Y252 N463 T464 E465 H467F105-I109 HydrophobicContact CD1-CD1 3.81Å; F105-I109 HydrophobicContact CE1-CD1 3.27Å; F105-I109 HydrophobicContact CE1-CG1 4.41Å; F105-I109 HydrophobicContact CE2-CD1 4.44Å; F105-I109 HydrophobicContact CZ-CD1 3.64Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.45Å; E106-I109 PolarHBondContact O-N 3.15Å; I109-T186 HydrophobicContact CG2-CG2 3.63Å; I109-Y252 VanDerWaalsContact CG2-OH 3.28Å; I109-Y252 WeakPolarHBondContact CG2-OH 3.26Å; I109-N463 PolarHBondContact O-ND2 2.89Å; I109-T464 HydrophobicContact CB-CG2 3.82Å; I109-T464 HydrophobicContact CD1-CG2 3.69Å; I109-T464 HydrophobicContact CG1-CG2 4.31Å; I109-T464 HydrophobicContact CG2-CG2 3.79Å; I109-E465 HydrophobicContact CB-CG 3.87Å; I109-E465 HydrophobicContact CD1-CG 3.68Å; I109-E465 WeakPolarHBondContact CD1-OE1 3.38Å; I109-E465 HydrophobicContact CG1-CG 3.61Å; I109-H467 PolarHBondContact O-CD2 3.2Å; I109-H467 VanDerWaalsContact O-CD2 3.28Å
110R96.4Very high96.2Very high14 Ų1411.3 Ų11.35%0.0536%0.06CC..Iπ-helixtrans-92.7-62.4-179.2-59.8-177.1-179.1-76.3-14.3112.7L65 D69 E106 N108 G114 S416 E465 H467L65-R110 HydrophobicContact CD1-CB 3.81Å; L65-R110 HydrophobicContact CD1-CG 4.48Å; D69-R110 WeakPolarHBondContact OD1-CB 3.46Å; D69-R110 IonicContact OD2-NH1 3.32Å; D69-R110 PolarHBondContact OD2-NH1 2.01Å; D69-R110 VanDerWaalsContact OD2-NH1 3.15Å; E106-R110 VanDerWaalsContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CB 3.4Å; E106-R110 PolarHBondContact O-N 3.21Å; E106-R110 IonicContact OE2-CZ 2.72Å; E106-R110 IonicContact OE2-NE 3.41Å; E106-R110 PolarHBondContact OE2-NE 3.28Å; E106-R110 IonicContact OE2-NH2 3.81Å; N108-R110 PolarHBondContact O-N 2.96Å; R110-G114 WeakPolarHBondContact O-CA 3.36Å; R110-G114 PolarHBondContact O-N 2.97Å; R110-S416 PolarHBondContact NH1-OG 3.12Å; R110-S416 VanDerWaalsContact NH1-OG 3.14Å; R110-E465 HydrophobicContact CG-CG 3.79Å; R110-E465 IonicContact CZ-OE1 2.68Å; R110-E465 VanDerWaalsContact CZ-OE1 3.3Å; R110-E465 IonicContact CZ-OE2 3.9Å; R110-E465 IonicContact NE-OE1 2.92Å; R110-E465 IonicContact NE-OE2 3.77Å; R110-E465 IonicContact NH1-OE1 2.87Å; R110-E465 IonicContact NH1-OE2 3.77Å; R110-E465 PolarHBondContact NH1-OE2 3.3Å; R110-E465 IonicContact NH2-OE1 2.68Å; R110-E465 PolarHBondContact NH2-OE1 3.29Å; R110-E465 IonicContact NH2-OE2 2.84Å; R110-E465 PolarHBondContact NH2-OE2 3.36Å; R110-H467 PolarHBondContact O-NE2 3.01Å
111V96.2Very high96.2Very high2 Ų210 Ų101%0.0125%0.052CC..Iπ-helixtrans-71.8-52.8-172.1-178.30000111.2F63 L65 I68 F94 T107 L115 V146F63-V111 HydrophobicContact CD2-CG2 4.29Å; L65-V111 HydrophobicContact CD1-CG2 4.11Å; I68-V111 HydrophobicContact CD1-CG1 4.11Å; F94-V111 HydrophobicContact CE2-CG1 3.72Å; F94-V111 HydrophobicContact CZ-CG1 3.9Å; T107-V111 HydrophobicContact CG2-CB 4.13Å; T107-V111 HydrophobicContact CG2-CG2 4.29Å; T107-V111 WeakPolarHBondContact O-CB 3.44Å; T107-V111 PolarHBondContact O-N 2.98Å; V111-L115 HydrophobicContact CG1-CD1 4.03Å; V111-L115 WeakPolarHBondContact O-CB 3.34Å; V111-L115 WeakPolarHBondContact O-CD1 3.24Å; V111-L115 WeakPolarHBondContact O-CG 3.27Å; V111-L115 PolarHBondContact O-N 3.25Å; V111-V146 HydrophobicContact CG1-CG1 4.15Å; V111-V146 HydrophobicContact CG1-CG2 4.39Å
112I98.4Very high96Very high0 Ų06.2 Ų6.20%03%0.032CC..Iπ-helixtrans-68.9-42.5179.1-57.5173.1000109.7T107 N108 L115 L116 A143 V146 A147 L150 E190 F191T107-I112 PolarHBondContact O-N 3.08Å; N108-I112 WeakPolarHBondContact O-CB 3.42Å; N108-I112 PolarHBondContact O-N 2.84Å; I112-L115 PolarHBondContact O-N 2.66Å; I112-L116 HydrophobicContact CG2-CD1 3.86Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.46Å; I112-L116 VanDerWaalsContact O-CG 3.23Å; I112-L116 WeakPolarHBondContact O-CG 3.02Å; I112-L116 PolarHBondContact O-N 3.45Å; I112-A143 HydrophobicContact CG2-CB 4.5Å; I112-V146 HydrophobicContact CD1-CG1 4.29Å; I112-V146 HydrophobicContact CG1-CB 4.24Å; I112-V146 HydrophobicContact CG1-CG1 3.89Å; I112-A147 HydrophobicContact CD1-CB 3.77Å; I112-L150 HydrophobicContact CD1-CD1 3.65Å; I112-E190 HydrophobicContact CG2-CB 3.95Å; I112-E190 HydrophobicContact CG2-CG 4.47Å; I112-F191 HydrophobicContact CD1-CE2 4.03Å
113G98.5Very high95.3Very high0 Ų07.6 Ų7.60%04%0.039CC..Hα-helixtrans-55-53.2174.100000113N108 L116 S117N108-G113 PolarHBondContact O-N 2.97Å; G113-L116 PolarHBondContact O-N 2.65Å; G113-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 PolarHBondContact O-N 2.86Å
114G97.5Very high94.3Very high0 Ų010.6 Ų10.60%05%0.053CC..Hα-helixtrans-63.2-41.9-179.900000113.2R110 S117 A118 H467R110-G114 WeakPolarHBondContact O-CA 3.36Å; R110-G114 PolarHBondContact O-N 2.97Å; G114-S117 PolarHBondContact O-N 2.92Å; G114-A118 VanDerWaalsContact O-CB 3.27Å; G114-A118 WeakPolarHBondContact O-CB 3.44Å; G114-A118 PolarHBondContact O-N 3.36Å; G114-H467 WeakPolarHBondContact CA-ND1 3.21Å; G114-H467 PolarHBondContact N-CD2 2.93Å; G114-H467 VanDerWaalsContact N-CD2 3.27Å
115L97.5Very high93.2Very high1 Ų111 Ų111%0.0056%0.057CC..Hα-helixtrans-65.3-42.8174.9-69171.9000112.1I68 V90 V111 I112 A118 H119 I139 L142 A143 V146I68-L115 HydrophobicContact CG2-CG 4.46Å; V90-L115 HydrophobicContact CG1-CD2 3.81Å; V111-L115 HydrophobicContact CG1-CD1 4.03Å; V111-L115 WeakPolarHBondContact O-CB 3.34Å; V111-L115 WeakPolarHBondContact O-CD1 3.24Å; V111-L115 WeakPolarHBondContact O-CG 3.27Å; V111-L115 PolarHBondContact O-N 3.25Å; I112-L115 PolarHBondContact O-N 2.66Å; L115-A118 PolarHBondContact O-N 3.48Å; L115-H119 WeakPolarHBondContact O-CB 3.48Å; L115-H119 PolarHBondContact O-N 3.39Å; L115-I139 HydrophobicContact CB-CG2 4.19Å; L115-I139 HydrophobicContact CD2-CG2 4.04Å; L115-I139 WeakPolarHBondContact O-CG2 3.43Å; L115-L142 HydrophobicContact CD1-CD2 4.19Å; L115-L142 HydrophobicContact CD1-CG 3.91Å; L115-L142 HydrophobicContact CD2-CD2 3.91Å; L115-L142 HydrophobicContact CD2-CG 4.44Å; L115-A143 HydrophobicContact CB-CB 3.85Å; L115-A143 HydrophobicContact CD1-CB 4.27Å; L115-V146 HydrophobicContact CD1-CG2 4.35Å
116L97.8Very high91.8Very high0 Ų020.6 Ų20.60%09%0.092CC..Hα-helixtrans-62.4-45.8175.4-74173.8000111.2I112 G113 H119 L120 L140 A143 E190 L194 L197 L469I112-L116 HydrophobicContact CG2-CD1 3.86Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.46Å; I112-L116 VanDerWaalsContact O-CG 3.23Å; I112-L116 WeakPolarHBondContact O-CG 3.02Å; I112-L116 PolarHBondContact O-N 3.45Å; G113-L116 PolarHBondContact O-N 2.65Å; L116-H119 WeakPolarHBondContact O-CB 3.2Å; L116-H119 PolarHBondContact O-N 2.97Å; L116-L120 WeakPolarHBondContact O-CB 3.36Å; L116-L120 VanDerWaalsContact O-CG 3.23Å; L116-L120 WeakPolarHBondContact O-CG 3.39Å; L116-L120 PolarHBondContact O-N 3.26Å; L116-L140 HydrophobicContact CD2-CD1 3.75Å; L116-A143 HydrophobicContact CD2-CB 4.31Å; L116-A143 HydrophobicContact CG-CB 4.38Å; L116-E190 HydrophobicContact CD1-CB 4Å; L116-E190 HydrophobicContact CD1-CG 4.44Å; L116-L194 HydrophobicContact CD2-CD1 4.27Å; L116-L197 HydrophobicContact CD2-CD1 3.82Å; L116-L469 HydrophobicContact CB-CD2 3.99Å; L116-L469 HydrophobicContact CD1-CD2 4.3Å
117S96.3Very high90.5Very high0 Ų020 Ų200%09%0.092CC..Hα-helixtrans-60.5-46.9177.1-175.90000111.6D72 G113 G114 H119 L120 L121 I468D72-S117 WeakPolarHBondContact CB-OG 3.43Å; D72-S117 VanDerWaalsContact CG-OG 3.3Å; D72-S117 WeakPolarHBondContact OD2-CB 3.38Å; D72-S117 PolarHBondContact OD2-OG 2.83Å; G113-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 PolarHBondContact O-N 2.86Å; G114-S117 PolarHBondContact O-N 2.92Å; S117-H119 PolarHBondContact O-N 3.4Å; S117-L120 PolarHBondContact O-N 2.98Å; S117-L121 WeakPolarHBondContact O-CB 3.15Å; S117-L121 WeakPolarHBondContact O-CG 3.37Å; S117-L121 PolarHBondContact O-N 3.2Å; S117-I468 VanDerWaalsContact CA-O 3.31Å; S117-I468 WeakPolarHBondContact CA-O 3.42Å; S117-I468 WeakPolarHBondContact CB-O 3.28Å; S117-I468 PolarHBondContact OG-N 3.22Å
118A94.8Very high89.2Confident0 Ų028.8 Ų28.80%013%0.132CC..Hα-helixtrans-58.7-44.7174.800000112L71 F83 G114 L115 L120 L121 S122 I139L71-A118 HydrophobicContact CB-CB 4.12Å; L71-A118 HydrophobicContact CD1-CB 3.93Å; F83-A118 HydrophobicContact CE2-CB 3.83Å; F83-A118 HydrophobicContact CZ-CB 4.09Å; F83-A118 WeakPolarHBondContact CZ-O 3.19Å; G114-A118 VanDerWaalsContact O-CB 3.27Å; G114-A118 WeakPolarHBondContact O-CB 3.44Å; G114-A118 PolarHBondContact O-N 3.36Å; L115-A118 PolarHBondContact O-N 3.48Å; A118-L120 PolarHBondContact O-N 3.03Å; A118-L121 PolarHBondContact O-N 3.11Å; A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 3.02Å; A118-I139 HydrophobicContact CB-CG2 4.3Å
119H94.7Very high87.7Confident0 Ų029.8 Ų29.80%014%0.138CC..Hα-helixtrans-59.4-47.6175.2174.168.8000111.8L115 L116 S117 L121 S122 W133 P134 D136 I139L115-H119 WeakPolarHBondContact O-CB 3.48Å; L115-H119 PolarHBondContact O-N 3.39Å; L116-H119 WeakPolarHBondContact O-CB 3.2Å; L116-H119 PolarHBondContact O-N 2.97Å; S117-H119 PolarHBondContact O-N 3.4Å; H119-L121 PolarHBondContact O-N 2.91Å; H119-S122 WeakPolarHBondContact O-CB 3.22Å; H119-S122 PolarHBondContact O-N 2.88Å; H119-S122 PolarHBondContact O-OG 3.5Å; H119-W133 AromaticContact CE1-CD1 3.69Å; H119-W133 AromaticContact NE2-CD1 3.93Å; H119-W133 VanDerWaalsContact O-CD1 3.23Å; H119-W133 PolarHBondContact O-NE1 3.11Å; H119-P134 PolarHBondContact NE2-O 2.89Å; H119-D136 PolarHBondContact CE1-O 3.23Å; H119-I139 HydrophobicContact CB-CB 4.14Å; H119-I139 HydrophobicContact CB-CG2 4.02Å
120L92.6Very high86.4Confident11 Ų1131.7 Ų31.76%0.05815%0.147CC..Hα-helixtrans-65.2-37.4-179-68.2173.2000112.3L116 S117 A118 L197 L469 D470 I473L116-L120 WeakPolarHBondContact O-CB 3.36Å; L116-L120 VanDerWaalsContact O-CG 3.23Å; L116-L120 WeakPolarHBondContact O-CG 3.39Å; L116-L120 PolarHBondContact O-N 3.26Å; S117-L120 PolarHBondContact O-N 2.98Å; A118-L120 PolarHBondContact O-N 3.03Å; L120-L197 HydrophobicContact CD2-CD1 4.38Å; L120-L197 HydrophobicContact CD2-CD2 4.33Å; L120-L469 HydrophobicContact CD1-CD2 4.04Å; L120-D470 HydrophobicContact CD1-CB 4.44Å; L120-I473 HydrophobicContact CD2-CB 4.06Å; L120-I473 HydrophobicContact CD2-CD1 3.94Å; L120-I473 HydrophobicContact CD2-CG2 3.54Å
121L91Very high85.6Confident8 Ų839.4 Ų39.44%0.04218%0.181CC..Hα-helixtrans-82.9-16178.7-65.5176.9000114.1D72 M75 S117 A118 H119 N123 N124 M436 I468D72-L121 HydrophobicContact CB-CD1 3.56Å; M75-L121 HydrophobicContact CB-CB 4.35Å; M75-L121 HydrophobicContact CB-CD1 4.05Å; M75-L121 HydrophobicContact CG-CB 4.32Å; S117-L121 WeakPolarHBondContact O-CB 3.15Å; S117-L121 WeakPolarHBondContact O-CG 3.37Å; S117-L121 PolarHBondContact O-N 3.2Å; A118-L121 PolarHBondContact O-N 3.11Å; H119-L121 PolarHBondContact O-N 2.91Å; L121-N123 PolarHBondContact O-N 2.58Å; L121-N124 PolarHBondContact O-N 3.4Å; L121-M436 HydrophobicContact CD2-CE 3.72Å; L121-M436 HydrophobicContact CD2-SD 4.4Å; L121-I468 HydrophobicContact CD1-CD1 4.12Å
122S88.8Confident85.1Confident0 Ų041.1 Ų41.10%020%0.199CC..G310 helixtrans-55.7-28.7-175.368.30000113.9A118 H119 N124 A125A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 3.02Å; H119-S122 WeakPolarHBondContact O-CB 3.22Å; H119-S122 PolarHBondContact O-N 2.88Å; H119-S122 PolarHBondContact O-OG 3.5Å; S122-N124 PolarHBondContact O-N 3.45Å; S122-N124 VanDerWaalsContact O-N 3.14Å; S122-A125 PolarHBondContact O-N 2.81Å
123N81.8Confident84.6Confident31 Ų3142.4 Ų42.417%0.16620%0.204CC..G310 helixtrans-60.2-25.1177.417474.6000113.5L121 A125 M130 W133 K444L121-N123 PolarHBondContact O-N 2.58Å; N123-A125 VanDerWaalsContact C-N 3.35Å; N123-M130 HydrophobicContact CB-CE 3.99Å; N123-M130 WeakPolarHBondContact OD1-CE 3.49Å; N123-W133 HydrophobicContact CB-CD2 3.89Å; N123-W133 HydrophobicContact CB-CE3 4.03Å; N123-W133 HydrophobicContact CB-CH2 3.83Å; N123-W133 HydrophobicContact CB-CZ2 3.66Å; N123-W133 HydrophobicContact CB-CZ3 3.96Å; N123-K444 PolarHBondContact ND2-NZ 3.4Å
124N73.7Confident84.2Confident86 Ų8642.4 Ų42.446%0.4620%0.204SC..G310 helixtrans-79.9-19.5177.4-65.6-14.4000112.5M75 L121 S122M75-N124 HydrophobicContact CE-CB 3.62Å; L121-N124 PolarHBondContact O-N 3.4Å; S122-N124 PolarHBondContact O-N 3.45Å; S122-N124 VanDerWaalsContact O-N 3.14Å
125A73.8Confident84Confident10 Ų1043.5 Ų43.58%0.08321%0.211CC..THydrogen-bonded Turntrans-91.3-9.1-176.500000114.7M75 H80 F83 N84 S122 N123 S127M75-A125 HydrophobicContact CE-CB 3.9Å; M75-A125 HydrophobicContact SD-CB 3.93Å; H80-A125 HydrophobicContact CB-CB 4.45Å; F83-A125 HydrophobicContact CD1-CB 3.67Å; F83-A125 HydrophobicContact CE1-CB 3.89Å; N84-A125 PolarHBondContact ND2-O 2.87Å; S122-A125 PolarHBondContact O-N 2.81Å; N123-A125 VanDerWaalsContact C-N 3.35Å; A125-S127 VanDerWaalsContact C-N 3.32Å; A125-S127 PolarHBondContact O-N 3.49Å
126R69.5Low83.7Confident234 Ų23447 Ų4788%0.88323%0.23SC*.THydrogen-bonded Turntrans52.745.2-176.3-57.7-177-178.1-175.61.1113.1M130R126-M130 VanDerWaalsContact CA-SD 3.55Å
127S67.9Low83.4Confident21 Ų2147.1 Ų47.115%0.14723%0.231CC..  trans-89.4151.8-174.7-161.30000113.4N84 A125 N129 M130N84-S127 WeakPolarHBondContact OD1-CB 3.5Å; N84-S127 PolarHBondContact OD1-OG 2.89Å; A125-S127 VanDerWaalsContact C-N 3.32Å; A125-S127 PolarHBondContact O-N 3.49Å; S127-N129 PolarHBondContact O-N 3.01Å; S127-N129 PolarHBondContact OG-N 3.25Å; S127-M130 PolarHBondContact N-SD 3.29Å; S127-M130 WeakPolarHBondContact O-CB 3.35Å; S127-M130 WeakPolarHBondContact O-CG 3.44Å; S127-M130 PolarHBondContact O-N 3.14Å; S127-M130 VanDerWaalsContact O-N 3.14Å
128E68.6Low83.3Confident186 Ų18649.2 Ų49.287%0.86925%0.245SC*.G310 helixtrans-63.2-24.2167.4-66.9-167.5169.600112.1M130 K131E128-M130 PolarHBondContact O-N 2.67Å; E128-K131 PolarHBondContact O-N 3.41Å
129N67.3Low83.4Confident21 Ų2149.4 Ų49.411%0.11225%0.246CC..G310 helixtrans-62.1-1.3172.5-64.5-28.4000113.7L91 S127 P138 I139L91-N129 HydrophobicContact CD1-CB 4.43Å; L91-N129 VanDerWaalsContact CD1-CG 3.5Å; L91-N129 WeakPolarHBondContact CD1-OD1 3.28Å; S127-N129 PolarHBondContact O-N 3.01Å; S127-N129 PolarHBondContact OG-N 3.25Å; N129-P138 HydrophobicContact CB-CG 4.17Å; N129-P138 WeakPolarHBondContact O-CD 3.29Å; N129-I139 HydrophobicContact CB-CD1 4.1Å; N129-I139 HydrophobicContact CB-CG1 4.36Å
130M71.3Confident83.4Confident41 Ų4149.4 Ų49.420%0.20225%0.246CC..G310 helixtrans-91.3-1.4178.3-63.5172.850.600114.7N123 R126 S127 E128 G132 W133N123-M130 HydrophobicContact CB-CE 3.99Å; N123-M130 WeakPolarHBondContact OD1-CE 3.49Å; R126-M130 VanDerWaalsContact CA-SD 3.55Å; S127-M130 PolarHBondContact N-SD 3.29Å; S127-M130 WeakPolarHBondContact O-CB 3.35Å; S127-M130 WeakPolarHBondContact O-CG 3.44Å; S127-M130 PolarHBondContact O-N 3.14Å; S127-M130 VanDerWaalsContact O-N 3.14Å; E128-M130 PolarHBondContact O-N 2.67Å; M130-G132 PolarHBondContact O-N 2.89Å; M130-W133 HydrophobicContact CB-CB 4.39Å; M130-W133 WeakPolarHBondContact O-CB 3.36Å; M130-W133 PolarHBondContact O-N 2.88Å
131K79.6Confident83.6Confident176 Ų17652 Ų5277%0.76526%0.26SS*.THydrogen-bonded Turntrans-58.9115.6-176.5-174.2-179.4178.6-177.80110.6E128 G137E128-K131 PolarHBondContact O-N 3.41Å; K131-G137 WeakPolarHBondContact O-CA 3.2Å
132G85.4Confident83.9Confident38 Ų3852.1 Ų52.139%0.39226%0.261SS..THydrogen-bonded Turntrans96.2-5.5-178.900000115.2M130 C135 D136M130-G132 PolarHBondContact O-N 2.89Å; G132-C135 PolarHBondContact O-N 2.99Å; G132-D136 CarbonylContact C-O 3.44Å; G132-D136 PolarHBondContact O-N 2.98Å
133W89Confident84.3Confident26 Ų2652.1 Ų52.110%0.09826%0.261CS..THydrogen-bonded Turntrans-55.5141.8-178.1-173.295.6000112.1H119 N123 M130 D136 I446 V455 I473H119-W133 AromaticContact CE1-CD1 3.69Å; H119-W133 AromaticContact NE2-CD1 3.93Å; H119-W133 VanDerWaalsContact O-CD1 3.23Å; H119-W133 PolarHBondContact O-NE1 3.11Å; N123-W133 HydrophobicContact CB-CD2 3.89Å; N123-W133 HydrophobicContact CB-CE3 4.03Å; N123-W133 HydrophobicContact CB-CH2 3.83Å; N123-W133 HydrophobicContact CB-CZ2 3.66Å; N123-W133 HydrophobicContact CB-CZ3 3.96Å; M130-W133 HydrophobicContact CB-CB 4.39Å; M130-W133 WeakPolarHBondContact O-CB 3.36Å; M130-W133 PolarHBondContact O-N 2.88Å; W133-D136 WeakPolarHBondContact CA-O 3.33Å; W133-D136 PolarHBondContact N-O 3.4Å; W133-D136 VanDerWaalsContact N-O 3.12Å; W133-I446 HydrophobicContact CE3-CD1 4.02Å; W133-I446 HydrophobicContact CH2-CD1 3.94Å; W133-I446 HydrophobicContact CZ3-CD1 3.27Å; W133-I446 HydrophobicContact CZ3-CG2 4.45Å; W133-V455 HydrophobicContact CH2-CG1 4.32Å; W133-V455 HydrophobicContact CH2-CG2 4.27Å; W133-I473 HydrophobicContact CH2-CD1 4.01Å; W133-I473 HydrophobicContact CZ2-CD1 3.52Å; W133-I473 HydrophobicContact CZ2-CG1 4.48Å
134P89.9Confident85.1Confident0 Ų052.6 Ų52.60%026%0.262CS..THydrogen-bonded Turncis-92.3-8.14.332.6-32.2000115.8H119 I446 I473H119-P134 PolarHBondContact NE2-O 2.89Å; P134-I446 HydrophobicContact CG-CD1 3.98Å; P134-I473 HydrophobicContact CB-CG2 3.46Å; P134-I473 VanDerWaalsContact CB-CG2 3.46Å; P134-I473 HydrophobicContact CG-CG2 4.05Å
135C92.4Very high86.3Confident23 Ų2354 Ų5416%0.15526%0.263CS..SBendtrans-99.911.4-168-47.40000113.8G132 C477G132-C135 PolarHBondContact O-N 2.99Å; C135-C477 WeakPolarHBondContact CA-SG 3.28Å; C135-C477 HydrophobicContact CB-CB 3.7Å; C135-C477 WeakPolarHBondContact CB-SG 3.34Å; C135-C477 WeakPolarHBondContact SG-CA 3.33Å; C135-C477 WeakPolarHBondContact SG-CB 3.15Å; C135-C477 CovalentContact SG-SG 2.04Å; C135-C477 PolarHBondContact SG-SG 2.92Å
136D91.8Very high87.4Confident75 Ų7553.5 Ų53.540%0.40126%0.26SS..  trans-164.9154.8-177.3-165.93.6000108.2H119 G132 W133H119-D136 PolarHBondContact CE1-O 3.23Å; G132-D136 CarbonylContact C-O 3.44Å; G132-D136 PolarHBondContact O-N 2.98Å; W133-D136 WeakPolarHBondContact CA-O 3.33Å; W133-D136 PolarHBondContact N-O 3.4Å; W133-D136 VanDerWaalsContact N-O 3.12Å
137G92.4Very high88.8Confident2 Ų242.4 Ų42.42%0.02122%0.218CC..  trans152.1158.417600000114.7K131 I139 L140 D141K131-G137 WeakPolarHBondContact O-CA 3.2Å; G137-I139 VanDerWaalsContact C-N 3.35Å; G137-I139 PolarHBondContact O-N 2.92Å; G137-L140 WeakPolarHBondContact O-CB 3.37Å; G137-L140 PolarHBondContact O-N 3.45Å; G137-L140 VanDerWaalsContact O-N 3.12Å; G137-D141 PolarHBondContact O-N 3.1Å
138P94.3Very high90.3Very high44 Ų4444.6 Ų44.629%0.28623%0.228SC..Hα-helixtrans-62.1-36.1-17223.3-34.3000114.1L91 N129 D141 L142L91-P138 HydrophobicContact CD1-CB 4.18Å; L91-P138 HydrophobicContact CD1-CG 4.34Å; L91-P138 HydrophobicContact CD2-CB 4.05Å; L91-P138 WeakPolarHBondContact CD2-O 3.08Å; N129-P138 HydrophobicContact CB-CG 4.17Å; N129-P138 WeakPolarHBondContact O-CD 3.29Å; P138-D141 PolarHBondContact O-N 3.45Å; P138-L142 PolarHBondContact O-N 3.21Å
139I95.1Very high91.7Very high4 Ų440 Ų402%0.02120%0.203CC..Hα-helixtrans-70.4-40.2177.5-57.7177000110.3A87 L91 L115 A118 H119 N129 G137 L142 A143A87-I139 HydrophobicContact CB-CD1 4.16Å; L91-I139 HydrophobicContact CD1-CG1 4.08Å; L91-I139 HydrophobicContact CD2-CG1 4.12Å; L91-I139 HydrophobicContact CG-CG1 4.29Å; L115-I139 HydrophobicContact CB-CG2 4.19Å; L115-I139 HydrophobicContact CD2-CG2 4.04Å; L115-I139 WeakPolarHBondContact O-CG2 3.43Å; A118-I139 HydrophobicContact CB-CG2 4.3Å; H119-I139 HydrophobicContact CB-CB 4.14Å; H119-I139 HydrophobicContact CB-CG2 4.02Å; N129-I139 HydrophobicContact CB-CD1 4.1Å; N129-I139 HydrophobicContact CB-CG1 4.36Å; G137-I139 VanDerWaalsContact C-N 3.35Å; G137-I139 PolarHBondContact O-N 2.92Å; I139-L142 PolarHBondContact O-N 3.5Å; I139-A143 PolarHBondContact O-N 3.27Å
140L96.4Very high93.2Very high1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-63.8-42.2174.2179.762000111.6L116 G137 L142 A143 E144 L194 L197 T198L116-L140 HydrophobicContact CD2-CD1 3.75Å; G137-L140 WeakPolarHBondContact O-CB 3.37Å; G137-L140 PolarHBondContact O-N 3.45Å; G137-L140 VanDerWaalsContact O-N 3.12Å; L140-L142 VanDerWaalsContact C-N 3.28Å; L140-L142 PolarHBondContact O-N 2.92Å; L140-A143 WeakPolarHBondContact O-CB 3.22Å; L140-A143 PolarHBondContact O-N 3.41Å; L140-E144 PolarHBondContact O-N 3.43Å; L140-L194 HydrophobicContact CD1-CD1 3.86Å; L140-L197 HydrophobicContact CD1-CB 3.95Å; L140-L197 HydrophobicContact CD1-CD1 3.89Å; L140-L197 HydrophobicContact CD2-CB 3.83Å; L140-T198 HydrophobicContact CD1-CG2 4.08Å; L140-T198 HydrophobicContact CD2-CG2 4.09Å; L140-T198 HydrophobicContact CG-CG2 4.01Å
141D96.6Very high94.5Very high64 Ų6438.5 Ų38.534%0.34220%0.195SC..Hα-helixtrans-60.3-39.3175-70.8-17.2000111.6G137 P138 E144 K145G137-D141 PolarHBondContact O-N 3.1Å; P138-D141 PolarHBondContact O-N 3.45Å; D141-E144 PolarHBondContact O-N 3.35Å; D141-K145 WeakPolarHBondContact O-CB 3.34Å; D141-K145 VanDerWaalsContact O-CG 3.24Å; D141-K145 WeakPolarHBondContact O-CG 3.49Å; D141-K145 PolarHBondContact O-N 2.7Å
142L96.7Very high95.4Very high12 Ų1232.1 Ų32.16%0.06317%0.172CC..Hα-helixtrans-64.9-46.8174.9-178.358.7000110.8V90 L91 F94 T96 L115 P138 I139 L140 E144 K145 V146V90-L142 HydrophobicContact CG1-CD2 3.97Å; L91-L142 HydrophobicContact CD2-CB 4.29Å; L91-L142 HydrophobicContact CD2-CD2 4.16Å; F94-L142 HydrophobicContact CB-CD1 4.34Å; F94-L142 HydrophobicContact CB-CD2 4.21Å; F94-L142 HydrophobicContact CD1-CD1 4.15Å; F94-L142 HydrophobicContact CG-CD1 4.43Å; T96-L142 HydrophobicContact CG2-CD1 3.54Å; L115-L142 HydrophobicContact CD1-CD2 4.19Å; L115-L142 HydrophobicContact CD1-CG 3.91Å; L115-L142 HydrophobicContact CD2-CD2 3.91Å; L115-L142 HydrophobicContact CD2-CG 4.44Å; P138-L142 PolarHBondContact O-N 3.21Å; I139-L142 PolarHBondContact O-N 3.5Å; L140-L142 VanDerWaalsContact C-N 3.28Å; L140-L142 PolarHBondContact O-N 2.92Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 3.12Å; L142-K145 WeakPolarHBondContact O-CB 3.23Å; L142-K145 PolarHBondContact O-N 3.42Å; L142-K145 VanDerWaalsContact O-N 3.15Å; L142-V146 WeakPolarHBondContact O-CG2 3.48Å; L142-V146 PolarHBondContact O-N 2.71Å
143A97.9Very high96Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-56.4-43.6175.400000111.7I112 L115 L116 I139 L140 V146 A147 L194I112-A143 HydrophobicContact CG2-CB 4.5Å; L115-A143 HydrophobicContact CB-CB 3.85Å; L115-A143 HydrophobicContact CD1-CB 4.27Å; L116-A143 HydrophobicContact CD2-CB 4.31Å; L116-A143 HydrophobicContact CG-CB 4.38Å; I139-A143 PolarHBondContact O-N 3.27Å; L140-A143 WeakPolarHBondContact O-CB 3.22Å; L140-A143 PolarHBondContact O-N 3.41Å; A143-V146 PolarHBondContact O-N 3.23Å; A143-A147 WeakPolarHBondContact O-CB 3.44Å; A143-A147 PolarHBondContact O-N 3.4Å; A143-L194 HydrophobicContact CB-CD1 4.42Å
144E98.6Very high96.4Very high41 Ų4129.3 Ų29.319%0.19215%0.15CC..Hα-helixtrans-65-40.5177.1-162.8173.9-143.500112.2L140 D141 L142 V146 A147 N148 L194 T198 Y203L140-E144 PolarHBondContact O-N 3.43Å; D141-E144 PolarHBondContact O-N 3.35Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 3.12Å; E144-V146 PolarHBondContact O-N 3.24Å; E144-A147 PolarHBondContact O-N 3.47Å; E144-N148 WeakPolarHBondContact O-CB 3.39Å; E144-N148 VanDerWaalsContact O-CG 3.22Å; E144-N148 PolarHBondContact O-N 3.04Å; E144-N148 PolarHBondContact O-ND2 3.16Å; E144-N148 VanDerWaalsContact O-ND2 3.09Å; E144-L194 HydrophobicContact CB-CD1 3.94Å; E144-L194 HydrophobicContact CG-CD1 4.32Å; E144-L194 HydrophobicContact CG-CD2 4.34Å; E144-L194 HydrophobicContact CG-CG 4.49Å; E144-T198 HydrophobicContact CB-CG2 4.5Å; E144-T198 HydrophobicContact CG-CG2 4.42Å; E144-T198 WeakPolarHBondContact OE1-CB 3.31Å; E144-T198 PolarHBondContact OE1-OG1 3.43Å; E144-Y203 HydrophobicContact CG-CE2 4.08Å; E144-Y203 WeakPolarHBondContact CG-OH 3.34Å; E144-Y203 PolarHBondContact OE1-OH 2.93Å
145K98.2Very high96.7Very high114 Ų11436.5 Ų36.550%0.49618%0.183SC..Hα-helixtrans-61.8-41.7175.4-74.1166.6-174.1167.70112.1T96 D141 L142 N148 R149T96-K145 HydrophobicContact CG2-CB 3.95Å; D141-K145 WeakPolarHBondContact O-CB 3.34Å; D141-K145 VanDerWaalsContact O-CG 3.24Å; D141-K145 WeakPolarHBondContact O-CG 3.49Å; D141-K145 PolarHBondContact O-N 2.7Å; L142-K145 WeakPolarHBondContact O-CB 3.23Å; L142-K145 PolarHBondContact O-N 3.42Å; L142-K145 VanDerWaalsContact O-N 3.15Å; K145-N148 PolarHBondContact O-N 3.28Å; K145-R149 PolarHBondContact O-N 3.34Å
146V97.4Very high96.9Very high1 Ų136.2 Ų36.21%0.00618%0.18CC..Hα-helixtrans-64.9-48.1175-1800000110.2F94 T96 T107 V111 I112 L115 L142 A143 E144 N148 R149 L150F94-V146 HydrophobicContact CD1-CG2 4.27Å; F94-V146 HydrophobicContact CE1-CG2 3.59Å; F94-V146 HydrophobicContact CZ-CG2 3.86Å; T96-V146 HydrophobicContact CG2-CG2 4.07Å; T107-V146 HydrophobicContact CG2-CG1 3.66Å; V111-V146 HydrophobicContact CG1-CG1 4.15Å; V111-V146 HydrophobicContact CG1-CG2 4.39Å; I112-V146 HydrophobicContact CD1-CG1 4.29Å; I112-V146 HydrophobicContact CG1-CB 4.24Å; I112-V146 HydrophobicContact CG1-CG1 3.89Å; L115-V146 HydrophobicContact CD1-CG2 4.35Å; L142-V146 WeakPolarHBondContact O-CG2 3.48Å; L142-V146 PolarHBondContact O-N 2.71Å; A143-V146 PolarHBondContact O-N 3.23Å; E144-V146 PolarHBondContact O-N 3.24Å; V146-N148 VanDerWaalsContact C-N 3.27Å; V146-N148 PolarHBondContact O-N 3.09Å; V146-R149 WeakPolarHBondContact O-CB 3.47Å; V146-R149 PolarHBondContact O-N 2.78Å; V146-L150 PolarHBondContact O-N 3.3Å
147A98.6Very high97Very high0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-57.4-39.3177.800000112.7I112 A143 E144 R149 L150 L151 F191 L194 Y203I112-A147 HydrophobicContact CD1-CB 3.77Å; A143-A147 WeakPolarHBondContact O-CB 3.44Å; A143-A147 PolarHBondContact O-N 3.4Å; E144-A147 PolarHBondContact O-N 3.47Å; A147-R149 PolarHBondContact O-N 3.25Å; A147-L150 WeakPolarHBondContact O-CB 3.35Å; A147-L150 PolarHBondContact O-N 2.93Å; A147-L151 PolarHBondContact O-N 2.96Å; A147-F191 HydrophobicContact CB-CE2 4.26Å; A147-L194 HydrophobicContact CB-CD2 3.3Å; A147-Y203 HydrophobicContact CB-CD1 4.04Å; A147-Y203 HydrophobicContact CB-CE1 3.71Å
148N98.7Very high97.2Very high67 Ų6736.9 Ų36.936%0.35820%0.195SC..Hα-helixtrans-58.9-30.8175.2-78.3-33.5000113.1E144 K145 V146 L150 Y203E144-N148 WeakPolarHBondContact O-CB 3.39Å; E144-N148 VanDerWaalsContact O-CG 3.22Å; E144-N148 PolarHBondContact O-N 3.04Å; E144-N148 PolarHBondContact O-ND2 3.16Å; E144-N148 VanDerWaalsContact O-ND2 3.09Å; K145-N148 PolarHBondContact O-N 3.28Å; V146-N148 VanDerWaalsContact C-N 3.27Å; V146-N148 PolarHBondContact O-N 3.09Å; N148-L150 VanDerWaalsContact C-N 3.32Å; N148-Y203 VanDerWaalsContact CG-OH 3.28Å; N148-Y203 PolarHBondContact ND2-OH 3.21Å; N148-Y203 PolarHBondContact OD1-OH 3.17Å
149R97.7Very high97.2Very high90 Ų9034.8 Ų34.834%0.3418%0.182SC..Hα-helixtrans-75.6-20.3175-59.8-51.7-179.8-177.5-16.7113.8T96 K145 V146 A147 P152 L167T96-R149 VanDerWaalsContact O-CG 3.24Å; T96-R149 WeakPolarHBondContact O-CG 3.42Å; T96-R149 PolarHBondContact O-NE 2.88Å; T96-R149 VanDerWaalsContact O-NE 3.08Å; K145-R149 PolarHBondContact O-N 3.34Å; V146-R149 WeakPolarHBondContact O-CB 3.47Å; V146-R149 PolarHBondContact O-N 2.78Å; A147-R149 PolarHBondContact O-N 3.25Å; R149-P152 WeakPolarHBondContact O-CD 3.16Å; R149-L167 HydrophobicContact CB-CD2 3.63Å; R149-L167 VanDerWaalsContact CD-O 3.27Å; R149-L167 WeakPolarHBondContact CD-O 3.3Å; R149-L167 HydrophobicContact CG-CD2 4.29Å
150L98.5Very high97.4Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-83.8-19.9175.5-55.3-171.2000112.8V102 V104 T107 N108 I112 V146 A147 N148 P152 A153 V165 F191V102-L150 HydrophobicContact CG2-CD2 4.19Å; V104-L150 HydrophobicContact CG1-CB 4.38Å; V104-L150 HydrophobicContact CG1-CD1 4.45Å; T107-L150 HydrophobicContact CG2-CD1 4.2Å; T107-L150 HydrophobicContact CG2-CD2 4.12Å; N108-L150 HydrophobicContact CB-CD1 4.28Å; I112-L150 HydrophobicContact CD1-CD1 3.65Å; V146-L150 PolarHBondContact O-N 3.3Å; A147-L150 WeakPolarHBondContact O-CB 3.35Å; A147-L150 PolarHBondContact O-N 2.93Å; N148-L150 VanDerWaalsContact C-N 3.32Å; L150-P152 VanDerWaalsContact C-CD 3.41Å; L150-A153 WeakPolarHBondContact O-CB 3.42Å; L150-A153 PolarHBondContact O-N 3.37Å; L150-V165 HydrophobicContact CD2-CG1 3.58Å; L150-F191 HydrophobicContact CB-CZ 4.42Å
151L98.7Very high97.5Very high31 Ų3134.6 Ų34.616%0.16218%0.18CC..G310 helixtrans-54-39.8-177.4-61-175.6000115.1A147 A153 F154 Y203 L206A147-L151 PolarHBondContact O-N 2.96Å; L151-A153 PolarHBondContact O-N 3.19Å; L151-A153 VanDerWaalsContact O-N 3.12Å; L151-F154 PolarHBondContact O-N 2.85Å; L151-Y203 HydrophobicContact CD1-CE1 4.24Å; L151-Y203 HydrophobicContact CD2-CD1 3.85Å; L151-Y203 HydrophobicContact CD2-CE1 3.92Å; L151-Y203 HydrophobicContact CG-CE1 4.36Å; L151-L206 HydrophobicContact CD2-CD1 3.61Å
152P98.3Very high97.6Very high41 Ų4133.1 Ų33.127%0.26617%0.17SC..G310 helixtrans-56-28.4175.7-26.536.6000114R149 L150 F154 H155 V165 V171R149-P152 WeakPolarHBondContact O-CD 3.16Å; L150-P152 VanDerWaalsContact C-CD 3.41Å; P152-F154 PolarHBondContact O-N 3.22Å; P152-H155 WeakPolarHBondContact O-CB 3.23Å; P152-H155 PolarHBondContact O-N 2.65Å; P152-V165 HydrophobicContact CB-CG2 4.36Å; P152-V171 HydrophobicContact CB-CG2 4.37Å
153A98.5Very high97.6Very high0 Ų033.5 Ų33.50%018%0.178CC..G310 helixtrans-63.1-27.4177.500000112.7V104 L150 L151 H155 P161 Y162 V165 V171V104-A153 HydrophobicContact CG1-CB 4Å; V104-A153 HydrophobicContact CG2-CB 3.69Å; L150-A153 WeakPolarHBondContact O-CB 3.42Å; L150-A153 PolarHBondContact O-N 3.37Å; L151-A153 PolarHBondContact O-N 3.19Å; L151-A153 VanDerWaalsContact O-N 3.12Å; A153-H155 VanDerWaalsContact C-N 3.33Å; A153-P161 HydrophobicContact CB-CB 4.2Å; A153-P161 CarbonylContact O-C 3.6Å; A153-P161 WeakPolarHBondContact O-CA 3.23Å; A153-Y162 WeakPolarHBondContact O-CD2 3.14Å; A153-Y162 PolarHBondContact O-N 3.34Å; A153-V165 HydrophobicContact CB-CB 4.37Å; A153-V171 HydrophobicContact CB-CG2 4.37Å
154F98.5Very high97.6Very high6 Ų635.6 Ų35.63%0.02619%0.19CC..G310 helixtrans-85.3-2.4-179-67.3-96.4000113.6V104 L151 P152 T156 P161 F187 F191 L206V104-F154 HydrophobicContact CG1-CE2 4.48Å; L151-F154 PolarHBondContact O-N 2.85Å; P152-F154 PolarHBondContact O-N 3.22Å; F154-T156 PolarHBondContact O-N 3.44Å; F154-P161 HydrophobicContact CD1-CB 3.88Å; F154-P161 HydrophobicContact CD1-CG 4.18Å; F154-P161 HydrophobicContact CD2-CB 4.14Å; F154-P161 HydrophobicContact CE1-CB 3.77Å; F154-P161 HydrophobicContact CE1-CG 3.7Å; F154-P161 HydrophobicContact CE2-CB 4.02Å; F154-P161 HydrophobicContact CG-CB 4.06Å; F154-P161 HydrophobicContact CZ-CB 3.84Å; F154-P161 HydrophobicContact CZ-CG 3.93Å; F154-F187 HydrophobicContact CE1-CD2 4.46Å; F154-F187 HydrophobicContact CE2-CE1 4.38Å; F154-F187 AromaticContact CZ-CD1 3.79Å; F154-F187 HydrophobicContact CZ-CD1 3.79Å; F154-F187 HydrophobicContact CZ-CD2 4.14Å; F154-F187 AromaticContact CZ-CE1 3.86Å; F154-F187 HydrophobicContact CZ-CE1 3.86Å; F154-F187 HydrophobicContact CZ-CE2 4.2Å; F154-F187 AromaticContact CZ-CG 3.94Å; F154-F187 HydrophobicContact CZ-CG 3.94Å; F154-F187 HydrophobicContact CZ-CZ 4.07Å; F154-F191 HydrophobicContact CD2-CE1 4.45Å; F154-F191 AromaticContact CE2-CE1 3.62Å; F154-F191 HydrophobicContact CE2-CE1 3.62Å; F154-F191 AromaticContact CE2-CZ 3.94Å; F154-F191 HydrophobicContact CE2-CZ 3.94Å; F154-F191 HydrophobicContact CZ-CD1 4.41Å; F154-F191 AromaticContact CZ-CE1 3.65Å; F154-F191 HydrophobicContact CZ-CE1 3.65Å; F154-F191 HydrophobicContact CZ-CZ 4.22Å; F154-L206 HydrophobicContact CB-CD1 4.31Å; F154-L206 HydrophobicContact CB-CD2 4.13Å; F154-L206 HydrophobicContact CD1-CB 4.09Å; F154-L206 HydrophobicContact CE1-CB 4.43Å; F154-L206 HydrophobicContact CG-CB 4.44Å; F154-L206 HydrophobicContact CG-CD1 4.34Å
155H96.1Very high97.5Very high150 Ų15033.7 Ų33.769%0.69418%0.182SC*.  trans-79.665.8178-63.9163.5000111.7P152 A153P152-H155 WeakPolarHBondContact O-CB 3.23Å; P152-H155 PolarHBondContact O-N 2.65Å; A153-H155 VanDerWaalsContact C-N 3.33Å
156T96.8Very high97.4Very high17 Ų1728.4 Ų28.410%0.10416%0.158CC..SBendtrans-121.2164.4179.566.10000111.5F154 T158 G159 M160 Y162 I230F154-T156 PolarHBondContact O-N 3.44Å; T156-T158 PolarHBondContact O-N 3.45Å; T156-T158 PolarHBondContact OG1-OG1 2.99Å; T156-G159 PolarHBondContact O-N 3.22Å; T156-G159 WeakPolarHBondContact OG1-CA 3.31Å; T156-G159 PolarHBondContact OG1-N 3.41Å; T156-M160 WeakPolarHBondContact CB-O 3.25Å; T156-M160 WeakPolarHBondContact CG2-O 3.21Å; T156-M160 PolarHBondContact OG1-N 3.38Å; T156-M160 PolarHBondContact OG1-O 3.02Å; T156-Y162 HydrophobicContact CG2-CD2 3.64Å; T156-Y162 HydrophobicContact CG2-CE2 3.48Å; T156-Y162 VanDerWaalsContact CG2-CE2 3.48Å; T156-I230 HydrophobicContact CG2-CD1 3.74Å; T156-I230 HydrophobicContact CG2-CG1 4.01Å
157A93.4Very high97.3Very high81 Ų8128.4 Ų28.467%0.66916%0.159SC*.SBendtrans-57.6-34.4178.600000112.4Q231A157-Q231 VanDerWaalsContact CB-OE1 3.27Å
158T95.5Very high97.1Very high11 Ų1134 Ų347%0.06718%0.184CC..SBendtrans-90-25.8-179.461.20000112.6T156 M160 K209 Q213 I230 S233T156-T158 PolarHBondContact O-N 3.45Å; T156-T158 PolarHBondContact OG1-OG1 2.99Å; T158-M160 VanDerWaalsContact C-N 3.32Å; T158-M160 HydrophobicContact CG2-CE 3.81Å; T158-M160 WeakPolarHBondContact OG1-CB 3.25Å; T158-M160 WeakPolarHBondContact OG1-CE 3.48Å; T158-M160 PolarHBondContact OG1-N 3.04Å; T158-M160 VanDerWaalsContact OG1-N 3.15Å; T158-K209 WeakPolarHBondContact O-CE 3.5Å; T158-Q213 WeakPolarHBondContact O-CG 3.37Å; T158-I230 WeakPolarHBondContact CB-O 3.35Å; T158-I230 WeakPolarHBondContact CG2-O 3.28Å; T158-I230 PolarHBondContact OG1-O 3.1Å; T158-S233 WeakPolarHBondContact CG2-OG 3.33Å
159G96Very high97Very high0 Ų036.7 Ų36.70%019%0.191CC..SBendtrans82.16.9-167.100000114T156T156-G159 PolarHBondContact O-N 3.22Å; T156-G159 WeakPolarHBondContact OG1-CA 3.31Å; T156-G159 PolarHBondContact OG1-N 3.41Å
160M98.3Very high97Very high0 Ų032.8 Ų32.80%018%0.178CC..PPolyproline II helixtrans-81.2139.2168.4-60.8-175.2-67.300109.2T156 T158 I184 Q213 L214 L217 I228 I230T156-M160 WeakPolarHBondContact CB-O 3.25Å; T156-M160 WeakPolarHBondContact CG2-O 3.21Å; T156-M160 PolarHBondContact OG1-N 3.38Å; T156-M160 PolarHBondContact OG1-O 3.02Å; T158-M160 VanDerWaalsContact C-N 3.32Å; T158-M160 HydrophobicContact CG2-CE 3.81Å; T158-M160 WeakPolarHBondContact OG1-CB 3.25Å; T158-M160 WeakPolarHBondContact OG1-CE 3.48Å; T158-M160 PolarHBondContact OG1-N 3.04Å; T158-M160 VanDerWaalsContact OG1-N 3.15Å; M160-I184 HydrophobicContact CB-CD1 4.15Å; M160-I184 HydrophobicContact CB-CG1 4.11Å; M160-I184 HydrophobicContact CB-CG2 3.83Å; M160-I184 HydrophobicContact CG-CD1 4.44Å; M160-I184 HydrophobicContact CG-CG2 3.65Å; M160-I184 HydrophobicContact SD-CD1 3.82Å; M160-I184 HydrophobicContact SD-CG2 3.87Å; M160-Q213 HydrophobicContact CG-CB 3.98Å; M160-Q213 HydrophobicContact CG-CG 4.48Å; M160-Q213 HydrophobicContact SD-CB 3.88Å; M160-L214 HydrophobicContact SD-CD2 4.2Å; M160-L214 HydrophobicContact SD-CG 4.41Å; M160-L217 HydrophobicContact CE-CD1 3.93Å; M160-L217 HydrophobicContact SD-CD1 4.26Å; M160-I228 HydrophobicContact CE-CD1 4.32Å; M160-I230 HydrophobicContact CB-CB 4.13Å; M160-I230 HydrophobicContact CB-CG2 3.98Å; M160-I230 HydrophobicContact CE-CB 4.49Å
161P98.6Very high97Very high0 Ų034.5 Ų34.50%019%0.188CC..PPolyproline II helixtrans-78.5152.4-170.130.8-34.9000113.6V104 A153 F154 G183 F187 I230V104-P161 HydrophobicContact CG1-CB 4.46Å; A153-P161 HydrophobicContact CB-CB 4.2Å; A153-P161 CarbonylContact O-C 3.6Å; A153-P161 WeakPolarHBondContact O-CA 3.23Å; F154-P161 HydrophobicContact CD1-CB 3.88Å; F154-P161 HydrophobicContact CD1-CG 4.18Å; F154-P161 HydrophobicContact CD2-CB 4.14Å; F154-P161 HydrophobicContact CE1-CB 3.77Å; F154-P161 HydrophobicContact CE1-CG 3.7Å; F154-P161 HydrophobicContact CE2-CB 4.02Å; F154-P161 HydrophobicContact CG-CB 4.06Å; F154-P161 HydrophobicContact CZ-CB 3.84Å; F154-P161 HydrophobicContact CZ-CG 3.93Å; P161-G183 WeakPolarHBondContact CG-O 3.35Å; P161-F187 HydrophobicContact CG-CD2 4.42Å; P161-F187 HydrophobicContact CG-CE2 3.61Å; P161-F187 HydrophobicContact CG-CZ 3.95Å; P161-I230 WeakPolarHBondContact O-CD1 3.42Å
162Y98.7Very high96.8Very high33 Ų3334.6 Ų34.613%0.12919%0.191CC..PPolyproline II helixtrans-61.3156.2160.6-77-84.1000111.3V104 A153 T156 V171 E175 T176 T177 I230 Q231V104-Y162 WeakPolarHBondContact CG2-O 3.48Å; A153-Y162 WeakPolarHBondContact O-CD2 3.14Å; A153-Y162 PolarHBondContact O-N 3.34Å; T156-Y162 HydrophobicContact CG2-CD2 3.64Å; T156-Y162 HydrophobicContact CG2-CE2 3.48Å; T156-Y162 VanDerWaalsContact CG2-CE2 3.48Å; Y162-V171 HydrophobicContact CD1-CG1 4.14Å; Y162-V171 HydrophobicContact CD2-CB 4.46Å; Y162-V171 HydrophobicContact CD2-CG1 3.8Å; Y162-V171 HydrophobicContact CD2-CG2 3.99Å; Y162-V171 HydrophobicContact CE1-CG1 4.35Å; Y162-V171 HydrophobicContact CE2-CG1 4.03Å; Y162-V171 HydrophobicContact CG-CG1 3.86Å; Y162-V171 HydrophobicContact CG-CG2 4.41Å; Y162-E175 HydrophobicContact CD1-CB 4.17Å; Y162-E175 HydrophobicContact CD1-CG 3.61Å; Y162-E175 HydrophobicContact CE1-CB 4.33Å; Y162-E175 HydrophobicContact CE1-CG 4.23Å; Y162-E175 HydrophobicContact CG-CG 4.28Å; Y162-T176 VanDerWaalsContact CD1-O 3.23Å; Y162-T176 WeakPolarHBondContact CD1-O 3.22Å; Y162-T176 WeakPolarHBondContact CE1-O 3.27Å; Y162-T177 HydrophobicContact CE1-CG2 3.98Å; Y162-I230 HydrophobicContact CD1-CD1 3.71Å; Y162-I230 HydrophobicContact CD2-CD1 4.02Å; Y162-I230 HydrophobicContact CE1-CD1 4Å; Y162-I230 HydrophobicContact CE2-CD1 4.28Å; Y162-I230 HydrophobicContact CG-CD1 3.73Å; Y162-Q231 PolarHBondContact OH-NE2 2.87Å
163G96.9Very high96.5Very high21 Ų2142.7 Ų42.722%0.21622%0.222CC..SBendtrans-73.8-32176.700000113.7V104V104-G163 WeakPolarHBondContact CG2-O 3.2Å; V104-G163 PolarHBondContact N-O 3.04Å
164T97.2Very high96.3Very high43 Ų4350.3 Ų50.326%0.26426%0.263SS..EExtended strand (participates in β ladder)trans-125.1145.6-176.9-39.10000111.6N101 V102 E175N101-T164 HydrophobicContact CB-CG2 3.92Å; V102-T164 WeakPolarHBondContact O-CA 3.47Å; V102-T164 VanDerWaalsContact O-CG2 3.31Å; V102-T164 WeakPolarHBondContact O-CG2 3.38Å; T164-E175 WeakPolarHBondContact CB-OE1 3.29Å; T164-E175 PolarHBondContact N-OE1 3.39Å; T164-E175 PolarHBondContact OG1-OE1 3.31Å
165V97.1Very high96.3Very high2 Ų251.8 Ų51.81%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-141.2147171.470.40000110.3N101 V102 V104 L150 P152 A153 V171N101-V165 WeakPolarHBondContact CA-O 3.37Å; V102-V165 HydrophobicContact CG2-CG1 3.78Å; V102-V165 WeakPolarHBondContact CG2-O 3.5Å; V102-V165 PolarHBondContact N-O 3.06Å; V102-V165 PolarHBondContact O-N 3.18Å; V104-V165 HydrophobicContact CG2-CB 3.88Å; V104-V165 HydrophobicContact CG2-CG1 3.72Å; L150-V165 HydrophobicContact CD2-CG1 3.58Å; P152-V165 HydrophobicContact CB-CG2 4.36Å; A153-V165 HydrophobicContact CB-CB 4.37Å; V165-V171 HydrophobicContact CG2-CG2 4.09Å
166N96.1Very high96.3Very high2 Ų248.1 Ų48.11%0.01126%0.258CS..EExtended strand (participates in β ladder)trans-88.2130169-171.1-81.5000110.4N99 V100 N101 H168 Y169 G170N99-N166 PolarHBondContact OD1-ND2 3.32Å; N99-N166 PolarHBondContact OD1-OD1 3.44Å; V100-N166 PolarHBondContact N-ND2 3.27Å; V100-N166 WeakPolarHBondContact O-CA 3.49Å; V100-N166 PolarHBondContact O-ND2 2.91Å; N101-N166 WeakPolarHBondContact OD1-CB 3.17Å; N101-N166 PolarHBondContact OD1-ND2 3.24Å; N166-H168 PolarHBondContact O-N 3.03Å; N166-H168 WeakPolarHBondContact OD1-CA 3.32Å; N166-H168 VanDerWaalsContact OD1-CB 3.22Å; N166-H168 WeakPolarHBondContact OD1-CB 3.3Å; N166-H168 PolarHBondContact OD1-N 3.38Å; N166-Y169 HydrophobicContact CB-CD1 4.12Å; N166-Y169 HydrophobicContact CB-CD2 3.91Å; N166-Y169 HydrophobicContact CB-CE1 3.82Å; N166-Y169 HydrophobicContact CB-CE2 3.58Å; N166-Y169 HydrophobicContact CB-CG 4.16Å; N166-Y169 VanDerWaalsContact CG-CZ 3.43Å; N166-Y169 VanDerWaalsContact ND2-CE1 3.27Å; N166-Y169 WeakPolarHBondContact ND2-CE1 3.37Å; N166-Y169 VanDerWaalsContact OD1-CD1 3.26Å; N166-Y169 WeakPolarHBondContact OD1-CD1 3.43Å; N166-Y169 WeakPolarHBondContact OD1-CE1 3.47Å; N166-Y169 PolarHBondContact OD1-N 2.86Å; N166-G170 WeakPolarHBondContact CA-O 3.35Å; N166-G170 WeakPolarHBondContact CB-O 3.43Å; N166-G170 PolarHBondContact N-O 3.47Å; N166-G170 WeakPolarHBondContact O-CA 3.37Å; N166-G170 PolarHBondContact O-N 3.02Å
167L95Very high96.4Very high2 Ų249.1 Ų49.11%0.0126%0.264CS..THydrogen-bonded Turntrans-66-21.3-178.7-62.7-177.4000113.6F63 A98 V100 V102 R149F63-L167 HydrophobicContact CE1-CD1 3.62Å; F63-L167 HydrophobicContact CZ-CD1 3.59Å; A98-L167 WeakPolarHBondContact O-CB 3.5Å; V100-L167 HydrophobicContact CG1-CD1 3.93Å; V100-L167 HydrophobicContact CG1-CG 4.29Å; V100-L167 PolarHBondContact O-N 2.85Å; V102-L167 HydrophobicContact CG1-CD1 3.96Å; V102-L167 HydrophobicContact CG1-CD2 4.26Å; V102-L167 HydrophobicContact CG1-CG 3.84Å; V102-L167 HydrophobicContact CG2-CD2 3.76Å; V102-L167 HydrophobicContact CG2-CG 4.15Å; R149-L167 HydrophobicContact CB-CD2 3.63Å; R149-L167 VanDerWaalsContact CD-O 3.27Å; R149-L167 WeakPolarHBondContact CD-O 3.3Å; R149-L167 HydrophobicContact CG-CD2 4.29Å
168H95.3Very high96.6Very high117 Ų11748.5 Ų48.554%0.54225%0.249SC..THydrogen-bonded Turntrans-89.2-50.6180-167.179.3000112.7T97 A98 N99 N166T97-H168 PolarHBondContact O-ND1 3.29Å; A98-H168 PolarHBondContact O-N 3.03Å; N99-H168 HydrophobicContact CB-CB 4.11Å; N166-H168 PolarHBondContact O-N 3.03Å; N166-H168 WeakPolarHBondContact OD1-CA 3.32Å; N166-H168 VanDerWaalsContact OD1-CB 3.22Å; N166-H168 WeakPolarHBondContact OD1-CB 3.3Å; N166-H168 PolarHBondContact OD1-N 3.38Å
169Y96Very high96.7Very high124 Ų12448.5 Ų48.549%0.48625%0.249SC..THydrogen-bonded Turntrans-118.91.5-170.661.8-104.3000115.6N99 N166 C172N99-Y169 WeakPolarHBondContact OD1-CE1 3.41Å; N166-Y169 HydrophobicContact CB-CD1 4.12Å; N166-Y169 HydrophobicContact CB-CD2 3.91Å; N166-Y169 HydrophobicContact CB-CE1 3.82Å; N166-Y169 HydrophobicContact CB-CE2 3.58Å; N166-Y169 HydrophobicContact CB-CG 4.16Å; N166-Y169 VanDerWaalsContact CG-CZ 3.43Å; N166-Y169 VanDerWaalsContact ND2-CE1 3.27Å; N166-Y169 WeakPolarHBondContact ND2-CE1 3.37Å; N166-Y169 VanDerWaalsContact OD1-CD1 3.26Å; N166-Y169 WeakPolarHBondContact OD1-CD1 3.43Å; N166-Y169 WeakPolarHBondContact OD1-CE1 3.47Å; N166-Y169 PolarHBondContact OD1-N 2.86Å; Y169-C172 PolarHBondContact OH-SG 2.8Å
170G97.2Very high96.8Very high7 Ų749.9 Ų49.97%0.07226%0.259CS..BIsolated β-bridgetrans87.1-148.8179.400000113.6N166N166-G170 WeakPolarHBondContact CA-O 3.35Å; N166-G170 WeakPolarHBondContact CB-O 3.43Å; N166-G170 PolarHBondContact N-O 3.47Å; N166-G170 WeakPolarHBondContact O-CA 3.37Å; N166-G170 PolarHBondContact O-N 3.02Å
171V97.8Very high96.9Very high37 Ų3749.9 Ų49.922%0.22426%0.259CS..SBendtrans-77.1131-173-176.60000111.1P152 A153 Y162 V165 E175P152-V171 HydrophobicContact CB-CG2 4.37Å; A153-V171 HydrophobicContact CB-CG2 4.37Å; Y162-V171 HydrophobicContact CD1-CG1 4.14Å; Y162-V171 HydrophobicContact CD2-CB 4.46Å; Y162-V171 HydrophobicContact CD2-CG1 3.8Å; Y162-V171 HydrophobicContact CD2-CG2 3.99Å; Y162-V171 HydrophobicContact CE1-CG1 4.35Å; Y162-V171 HydrophobicContact CE2-CG1 4.03Å; Y162-V171 HydrophobicContact CG-CG1 3.86Å; Y162-V171 HydrophobicContact CG-CG2 4.41Å; V165-V171 HydrophobicContact CG2-CG2 4.09Å; V171-E175 HydrophobicContact CG1-CB 3.72Å; V171-E175 HydrophobicContact CG1-CG 4.04Å
172C95.6Very high96.9Very high33 Ų3350 Ų5022%0.22326%0.259CS..  trans-61.5140.7173.5-66.90000111.3Y169 N174 E175Y169-C172 PolarHBondContact OH-SG 2.8Å; C172-N174 PolarHBondContact O-N 2.91Å; C172-N174 VanDerWaalsContact O-N 3.11Å; C172-E175 HydrophobicContact CB-CB 4.27Å; C172-E175 VanDerWaalsContact O-CB 3.28Å; C172-E175 WeakPolarHBondContact O-CB 3.48Å; C172-E175 PolarHBondContact O-N 3.33Å
173K92.9Very high96.9Very high211 Ų21148.6 Ų48.692%0.91726%0.255SS*.THydrogen-bonded Turntrans-59-27.6-179.9-68.9-175.8179.61790114.2
174N94.2Very high96.9Very high159 Ų15947.6 Ų47.685%0.8525%0.245SC*.THydrogen-bonded Turntrans-104.212.8-178.5-60.6-5.5000112.2C172 T176C172-N174 PolarHBondContact O-N 2.91Å; C172-N174 VanDerWaalsContact O-N 3.11Å; N174-T176 PolarHBondContact O-N 2.71Å
175E96.7Very high97Very high38 Ų3845.6 Ų45.618%0.17823%0.232CC..  trans-60.8135.6175.6-176.660.2-164.300110Y162 T164 V171 C172 T177Y162-E175 HydrophobicContact CD1-CB 4.17Å; Y162-E175 HydrophobicContact CD1-CG 3.61Å; Y162-E175 HydrophobicContact CE1-CB 4.33Å; Y162-E175 HydrophobicContact CE1-CG 4.23Å; Y162-E175 HydrophobicContact CG-CG 4.28Å; T164-E175 WeakPolarHBondContact CB-OE1 3.29Å; T164-E175 PolarHBondContact N-OE1 3.39Å; T164-E175 PolarHBondContact OG1-OE1 3.31Å; V171-E175 HydrophobicContact CG1-CB 3.72Å; V171-E175 HydrophobicContact CG1-CG 4.04Å; C172-E175 HydrophobicContact CB-CB 4.27Å; C172-E175 VanDerWaalsContact O-CB 3.28Å; C172-E175 WeakPolarHBondContact O-CB 3.48Å; C172-E175 PolarHBondContact O-N 3.33Å; E175-T177 PolarHBondContact O-N 2.85Å
176T97.5Very high97.1Very high72 Ų7245.5 Ų45.544%0.44223%0.232SC..  trans-60.4137.7177178.40000110.8Y162 N174 I178Y162-T176 VanDerWaalsContact CD1-O 3.23Å; Y162-T176 WeakPolarHBondContact CD1-O 3.22Å; Y162-T176 WeakPolarHBondContact CE1-O 3.27Å; N174-T176 PolarHBondContact O-N 2.71Å; T176-I178 PolarHBondContact O-N 2.81Å; T176-I178 PolarHBondContact OG1-N 2.9Å; T176-I178 VanDerWaalsContact OG1-N 3.14Å
177T97.9Very high97.2Very high38 Ų3845.5 Ų45.523%0.23323%0.232CC..SBendtrans-81.6-2.8173.662.40000112.1Y162 E175 D229 I230 Q231Y162-T177 HydrophobicContact CE1-CG2 3.98Å; E175-T177 PolarHBondContact O-N 2.85Å; T177-D229 VanDerWaalsContact CB-OD1 3.25Å; T177-D229 WeakPolarHBondContact CB-OD1 3.27Å; T177-D229 WeakPolarHBondContact O-CA 3.5Å; T177-D229 VanDerWaalsContact OG1-CG 3.28Å; T177-D229 PolarHBondContact OG1-OD1 3.44Å; T177-I230 VanDerWaalsContact O-CG1 3.28Å; T177-I230 WeakPolarHBondContact O-CG1 3.5Å; T177-I230 PolarHBondContact O-N 2.85Å; T177-Q231 HydrophobicContact CG2-CB 4.4Å; T177-Q231 HydrophobicContact CG2-CG 3.45Å; T177-Q231 VanDerWaalsContact CG2-CG 3.45Å
178I98.5Very high97.4Very high68 Ų6845.4 Ų45.435%0.34923%0.231SC..EExtended strand (participates in β ladder)trans-90126.4-179.4-56.9173000109.3T176 H227 I228 D229 T236T176-I178 PolarHBondContact O-N 2.81Å; T176-I178 PolarHBondContact OG1-N 2.9Å; T176-I178 VanDerWaalsContact OG1-N 3.14Å; I178-H227 HydrophobicContact CG2-CB 3.94Å; I178-I228 WeakPolarHBondContact CA-O 3.21Å; I178-D229 HydrophobicContact CG1-CB 4.49Å; I178-T236 HydrophobicContact CD1-CG2 3.99Å; I178-T236 HydrophobicContact CG1-CG2 4.15Å; I178-T236 WeakPolarHBondContact CG2-OG1 3.15Å
179T98.1Very high97.5Very high12 Ų1239.9 Ų39.97%0.07421%0.206CC..EExtended strand (participates in β ladder)trans-137167.4172.7-1680000110.2I184 H227 I228 I230T179-I184 HydrophobicContact CG2-CD1 3.47Å; T179-I184 VanDerWaalsContact CG2-CD1 3.47Å; T179-I184 HydrophobicContact CG2-CG1 3.44Å; T179-I184 VanDerWaalsContact CG2-CG1 3.44Å; T179-H227 CarbonylContact O-C 3.56Å; T179-H227 VanDerWaalsContact O-CA 3.3Å; T179-H227 WeakPolarHBondContact O-CA 3.47Å; T179-I228 PolarHBondContact N-O 2.83Å; T179-I228 PolarHBondContact O-N 3.45Å; T179-I230 HydrophobicContact CG2-CG2 3.43Å; T179-I230 VanDerWaalsContact CG2-CG2 3.43Å
180C98.4Very high97.7Very high29 Ų2934 Ų3420%0.19618%0.182CC..EExtended strand (participates in β ladder)trans-84.5160.6176.266.70000112.3A182 G183 I184 N226C180-A182 PolarHBondContact O-N 3.2Å; C180-G183 WeakPolarHBondContact O-CA 3.39Å; C180-G183 PolarHBondContact O-N 3.44Å; C180-G183 VanDerWaalsContact O-N 3.09Å; C180-G183 PolarHBondContact SG-N 3.14Å; C180-I184 PolarHBondContact O-N 3.14Å; C180-N226 CarbonylContact C-O 3.46Å; C180-N226 WeakPolarHBondContact CA-O 3.47Å; C180-N226 WeakPolarHBondContact CB-O 3.21Å
181T98.7Very high97.8Very high0 Ų033.6 Ų33.60%018%0.179CC..SBendtrans-59.3-43.5179.2-700000112.3G183 I184 G185 L214 V224 G225 N226 W235 G245 V246 Y249T181-G183 VanDerWaalsContact C-N 3.3Å; T181-G183 PolarHBondContact O-N 3.27Å; T181-I184 PolarHBondContact O-N 2.57Å; T181-I184 VanDerWaalsContact O-N 3.1Å; T181-G185 PolarHBondContact O-N 3.04Å; T181-L214 HydrophobicContact CG2-CD1 4.27Å; T181-L214 HydrophobicContact CG2-CD2 4.41Å; T181-V224 HydrophobicContact CG2-CG2 4.12Å; T181-G225 PolarHBondContact OG1-O 3.29Å; T181-N226 PolarHBondContact N-O 3.49Å; T181-W235 VanDerWaalsContact OG1-CZ3 3.28Å; T181-W235 WeakPolarHBondContact OG1-CZ3 3.48Å; T181-G245 WeakPolarHBondContact CB-O 3.44Å; T181-G245 PolarHBondContact N-O 3.47Å; T181-G245 VanDerWaalsContact N-O 3.12Å; T181-V246 HydrophobicContact CG2-CG1 4.07Å; T181-Y249 HydrophobicContact CG2-CD1 3.56Å; T181-Y249 HydrophobicContact CG2-CE1 4.21Å; T181-Y249 HydrophobicContact CG2-CG 3.97Å
182A98.6Very high97.8Very high2 Ų231.9 Ų31.92%0.01717%0.168CC..Hα-helixtrans-59.2-42.5173.100000111.3F105 C180 I184 G185 T186 G245F105-A182 HydrophobicContact CE2-CB 4.01Å; F105-A182 HydrophobicContact CZ-CB 4.45Å; C180-A182 PolarHBondContact O-N 3.2Å; A182-I184 PolarHBondContact O-N 2.98Å; A182-G185 PolarHBondContact O-N 2.9Å; A182-G185 VanDerWaalsContact O-N 3.16Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 3.34Å; A182-T186 PolarHBondContact O-OG1 2.97Å; A182-G245 WeakPolarHBondContact CB-O 3.43Å; A182-G245 PolarHBondContact N-O 2.97Å
183G98.4Very high98Very high3 Ų330.3 Ų30.33%0.03116%0.158CC..Hα-helixtrans-60.6-6.2174.800000115.3P161 C180 T181 F187P161-G183 WeakPolarHBondContact CG-O 3.35Å; C180-G183 WeakPolarHBondContact O-CA 3.39Å; C180-G183 PolarHBondContact O-N 3.44Å; C180-G183 VanDerWaalsContact O-N 3.09Å; C180-G183 PolarHBondContact SG-N 3.14Å; T181-G183 VanDerWaalsContact C-N 3.3Å; T181-G183 PolarHBondContact O-N 3.27Å; G183-F187 VanDerWaalsContact O-CE2 3.3Å; G183-F187 WeakPolarHBondContact O-CE2 3.49Å
184I98.7Very high98.2Very high1 Ų120.2 Ų20.21%0.00511%0.114CC..Hα-helixtrans-114.4-39173.7-62162.8000111.1M160 T179 C180 T181 A182 A210 L214 I228 I230M160-I184 HydrophobicContact CB-CD1 4.15Å; M160-I184 HydrophobicContact CB-CG1 4.11Å; M160-I184 HydrophobicContact CB-CG2 3.83Å; M160-I184 HydrophobicContact CG-CD1 4.44Å; M160-I184 HydrophobicContact CG-CG2 3.65Å; M160-I184 HydrophobicContact SD-CD1 3.82Å; M160-I184 HydrophobicContact SD-CG2 3.87Å; T179-I184 HydrophobicContact CG2-CD1 3.47Å; T179-I184 VanDerWaalsContact CG2-CD1 3.47Å; T179-I184 HydrophobicContact CG2-CG1 3.44Å; T179-I184 VanDerWaalsContact CG2-CG1 3.44Å; C180-I184 PolarHBondContact O-N 3.14Å; T181-I184 PolarHBondContact O-N 2.57Å; T181-I184 VanDerWaalsContact O-N 3.1Å; A182-I184 PolarHBondContact O-N 2.98Å; I184-A210 HydrophobicContact CG2-CB 3.87Å; I184-L214 HydrophobicContact CB-CD1 3.85Å; I184-L214 HydrophobicContact CB-CD2 4.23Å; I184-L214 HydrophobicContact CB-CG 4.17Å; I184-L214 HydrophobicContact CD1-CD2 3.97Å; I184-L214 HydrophobicContact CG2-CD1 3.59Å; I184-L214 HydrophobicContact CG2-CD2 4.01Å; I184-L214 HydrophobicContact CG2-CG 3.58Å; I184-I228 HydrophobicContact CD1-CG2 3.3Å; I184-I230 HydrophobicContact CD1-CG2 4.14Å
185G98.3Very high98.4Very high1 Ų112.9 Ų12.91%0.018%0.075CC..Hα-helixtrans-78.9-19.5-173.200000115.1T181 A182 F187 L211T181-G185 PolarHBondContact O-N 3.04Å; A182-G185 PolarHBondContact O-N 2.9Å; A182-G185 VanDerWaalsContact O-N 3.16Å; G185-F187 PolarHBondContact O-N 2.89Å; G185-L211 WeakPolarHBondContact O-CD2 3.48Å
186T98.8Very high98.4Very high0 Ų012.9 Ų12.90%07%0.074CC..THydrogen-bonded Turntrans-106.961-162.2-51.60000112.2F105 N108 I109 A182 S248 Y249 Y252 T464F105-T186 HydrophobicContact CD2-CG2 4.29Å; F105-T186 VanDerWaalsContact CE2-CB 3.43Å; F105-T186 HydrophobicContact CE2-CG2 3.58Å; F105-T186 HydrophobicContact CZ-CG2 4.26Å; N108-T186 PolarHBondContact ND2-O 3.24Å; I109-T186 HydrophobicContact CG2-CG2 3.63Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 3.34Å; A182-T186 PolarHBondContact O-OG1 2.97Å; T186-S248 WeakPolarHBondContact CG2-OG 3.2Å; T186-S248 WeakPolarHBondContact OG1-CB 3.41Å; T186-S248 PolarHBondContact OG1-OG 2.93Å; T186-Y249 PolarHBondContact OG1-N 3.23Å; T186-Y252 VanDerWaalsContact C-CE1 3.47Å; T186-Y252 HydrophobicContact CG2-CD1 3.87Å; T186-Y252 HydrophobicContact CG2-CD2 3.88Å; T186-Y252 HydrophobicContact CG2-CE1 3.43Å; T186-Y252 VanDerWaalsContact CG2-CE1 3.43Å; T186-Y252 HydrophobicContact CG2-CE2 3.47Å; T186-Y252 VanDerWaalsContact CG2-CE2 3.47Å; T186-Y252 HydrophobicContact CG2-CG 4.08Å; T186-Y252 WeakPolarHBondContact CG2-OH 3.22Å; T186-T464 HydrophobicContact CG2-CG2 4.18Å
187F98.8Very high98.3Very high1 Ų19.5 Ų9.50%0.0045%0.052CC..THydrogen-bonded Turntrans-129.4-22.3175.3-68.6-85.7000114.1V104 N108 F154 P161 G183 G185 L189 E190 F191 A207V104-F187 HydrophobicContact CG1-CE1 3.77Å; V104-F187 HydrophobicContact CG1-CZ 3.73Å; N108-F187 HydrophobicContact CB-CD1 3.79Å; N108-F187 HydrophobicContact CB-CE1 3.69Å; N108-F187 VanDerWaalsContact CG-CD1 3.49Å; F154-F187 HydrophobicContact CE1-CD2 4.46Å; F154-F187 HydrophobicContact CE2-CE1 4.38Å; F154-F187 AromaticContact CZ-CD1 3.79Å; F154-F187 HydrophobicContact CZ-CD1 3.79Å; F154-F187 HydrophobicContact CZ-CD2 4.14Å; F154-F187 AromaticContact CZ-CE1 3.86Å; F154-F187 HydrophobicContact CZ-CE1 3.86Å; F154-F187 HydrophobicContact CZ-CE2 4.2Å; F154-F187 AromaticContact CZ-CG 3.94Å; F154-F187 HydrophobicContact CZ-CG 3.94Å; F154-F187 HydrophobicContact CZ-CZ 4.07Å; P161-F187 HydrophobicContact CG-CD2 4.42Å; P161-F187 HydrophobicContact CG-CE2 3.61Å; P161-F187 HydrophobicContact CG-CZ 3.95Å; G183-F187 VanDerWaalsContact O-CE2 3.3Å; G183-F187 WeakPolarHBondContact O-CE2 3.49Å; G185-F187 PolarHBondContact O-N 2.89Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 2.86Å; F187-E190 PolarHBondContact O-N 3.22Å; F187-F191 HydrophobicContact CB-CD1 4.37Å; F187-F191 HydrophobicContact CB-CG 4.31Å; F187-F191 HydrophobicContact CD1-CE1 4.37Å; F187-F191 HydrophobicContact CD1-CE2 4.26Å; F187-F191 HydrophobicContact CD1-CZ 4.2Å; F187-F191 VanDerWaalsContact O-CB 3.25Å; F187-F191 WeakPolarHBondContact O-CB 3.37Å; F187-F191 PolarHBondContact O-N 2.98Å; F187-A207 HydrophobicContact CB-CB 3.87Å
188L98.8Very high98.2Very high1 Ų19.3 Ų9.31%0.0055%0.052CC..Hα-helixtrans-65.8-32.4-162.5-176.562.2000113.4G192 E204 A207 L208 L211 F260 L265L188-G192 WeakPolarHBondContact O-CA 3.32Å; L188-G192 PolarHBondContact O-N 2.64Å; L188-E204 HydrophobicContact CD1-CG 4.12Å; L188-A207 HydrophobicContact CB-CB 4.25Å; L188-A207 HydrophobicContact CD1-CB 4.02Å; L188-L208 HydrophobicContact CD1-CD2 3.87Å; L188-L208 HydrophobicContact CD1-CG 3.87Å; L188-L208 HydrophobicContact CD2-CD2 3.93Å; L188-L211 HydrophobicContact CB-CD1 4.01Å; L188-L211 HydrophobicContact CD2-CD1 3.67Å; L188-L211 HydrophobicContact CG-CD1 4.35Å; L188-F260 HydrophobicContact CD1-CE2 4.49Å; L188-F260 HydrophobicContact CG-CD2 4.29Å; L188-F260 HydrophobicContact CG-CE2 4Å; L188-F260 VanDerWaalsContact O-CE2 3.25Å; L188-F260 WeakPolarHBondContact O-CE2 3.46Å; L188-L265 HydrophobicContact CD2-CD1 3.31Å; L188-L265 HydrophobicContact CD2-CD2 3.67Å; L188-L265 HydrophobicContact CD2-CG 4.1Å
189L98.9Very high98Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-63.5-50.2-179.8-67.9-172.6000111.1F187 S193 Y252 K255 L259 F260 N463 L469F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 2.86Å; L189-S193 WeakPolarHBondContact O-CB 3.34Å; L189-S193 PolarHBondContact O-N 2.9Å; L189-S193 PolarHBondContact O-OG 2.86Å; L189-Y252 HydrophobicContact CB-CD1 4.16Å; L189-Y252 HydrophobicContact CB-CE1 3.78Å; L189-Y252 HydrophobicContact CD1-CD1 4.17Å; L189-Y252 HydrophobicContact CD1-CD2 3.83Å; L189-Y252 HydrophobicContact CD1-CE1 4Å; L189-Y252 HydrophobicContact CD1-CE2 3.63Å; L189-Y252 HydrophobicContact CD1-CG 4.11Å; L189-Y252 HydrophobicContact CG-CD1 3.74Å; L189-Y252 HydrophobicContact CG-CD2 4.26Å; L189-Y252 HydrophobicContact CG-CE1 3.76Å; L189-Y252 HydrophobicContact CG-CE2 4.27Å; L189-Y252 HydrophobicContact CG-CG 4.01Å; L189-K255 HydrophobicContact CD1-CB 4.02Å; L189-K255 HydrophobicContact CD2-CB 4.21Å; L189-L259 HydrophobicContact CD2-CB 4.33Å; L189-L259 HydrophobicContact CD2-CD2 3.81Å; L189-F260 HydrophobicContact CD2-CE2 4.45Å; L189-N463 HydrophobicContact CD1-CB 3.83Å; L189-L469 HydrophobicContact CB-CD1 3.63Å
190E98.9Very high97.9Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-76.1-52.7-178.4-60.471.2-14800110.9N108 I112 L116 F187 G192 S193 L194 Y252 N463N108-E190 PolarHBondContact ND2-OE2 3Å; N108-E190 WeakPolarHBondContact OD1-CB 3.28Å; I112-E190 HydrophobicContact CG2-CB 3.95Å; I112-E190 HydrophobicContact CG2-CG 4.47Å; L116-E190 HydrophobicContact CD1-CB 4Å; L116-E190 HydrophobicContact CD1-CG 4.44Å; F187-E190 PolarHBondContact O-N 3.22Å; E190-G192 VanDerWaalsContact C-N 3.32Å; E190-G192 PolarHBondContact O-N 2.81Å; E190-S193 PolarHBondContact O-N 3.42Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 PolarHBondContact O-N 3.47Å; E190-Y252 PolarHBondContact OE1-OH 3.39Å; E190-Y252 WeakPolarHBondContact OE2-CE1 3.21Å; E190-Y252 PolarHBondContact OE2-OH 3.05Å; E190-N463 WeakPolarHBondContact OE1-CB 3.26Å; E190-N463 PolarHBondContact OE1-ND2 3.5Å
191F98.9Very high97.8Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-66.5-36.3-178.6-84.7-152000111.9N108 I112 A147 L150 F154 F187 S195 Y203 E204 A207N108-F191 VanDerWaalsContact OD1-CD2 3.29Å; N108-F191 WeakPolarHBondContact OD1-CD2 3.49Å; N108-F191 VanDerWaalsContact OD1-CE2 3.32Å; N108-F191 WeakPolarHBondContact OD1-CE2 3.27Å; I112-F191 HydrophobicContact CD1-CE2 4.03Å; A147-F191 HydrophobicContact CB-CE2 4.26Å; L150-F191 HydrophobicContact CB-CZ 4.42Å; F154-F191 HydrophobicContact CD2-CE1 4.45Å; F154-F191 AromaticContact CE2-CE1 3.62Å; F154-F191 HydrophobicContact CE2-CE1 3.62Å; F154-F191 AromaticContact CE2-CZ 3.94Å; F154-F191 HydrophobicContact CE2-CZ 3.94Å; F154-F191 HydrophobicContact CZ-CD1 4.41Å; F154-F191 AromaticContact CZ-CE1 3.65Å; F154-F191 HydrophobicContact CZ-CE1 3.65Å; F154-F191 HydrophobicContact CZ-CZ 4.22Å; F187-F191 HydrophobicContact CB-CD1 4.37Å; F187-F191 HydrophobicContact CB-CG 4.31Å; F187-F191 HydrophobicContact CD1-CE1 4.37Å; F187-F191 HydrophobicContact CD1-CE2 4.26Å; F187-F191 HydrophobicContact CD1-CZ 4.2Å; F187-F191 VanDerWaalsContact O-CB 3.25Å; F187-F191 WeakPolarHBondContact O-CB 3.37Å; F187-F191 PolarHBondContact O-N 2.98Å; F191-S195 WeakPolarHBondContact O-CB 3.25Å; F191-S195 PolarHBondContact O-N 3.17Å; F191-S195 PolarHBondContact O-OG 3.31Å; F191-Y203 HydrophobicContact CD1-CD1 4.49Å; F191-Y203 WeakPolarHBondContact CD1-O 3.49Å; F191-Y203 HydrophobicContact CE1-CD1 4.44Å; F191-Y203 WeakPolarHBondContact O-CB 3.43Å; F191-E204 PolarHBondContact O-N 3.1Å; F191-A207 HydrophobicContact CB-CB 4.1Å; F191-A207 HydrophobicContact CD1-CB 4.43Å
192G98.7Very high97.8Very high0 Ų016.3 Ų16.30%09%0.091CC..Hα-helixtrans-60.5-52.8170.700000110.2L188 E190 L194 S195 R196L188-G192 WeakPolarHBondContact O-CA 3.32Å; L188-G192 PolarHBondContact O-N 2.64Å; E190-G192 VanDerWaalsContact C-N 3.32Å; E190-G192 PolarHBondContact O-N 2.81Å; G192-L194 PolarHBondContact O-N 3.11Å; G192-S195 WeakPolarHBondContact O-CB 3.44Å; G192-S195 PolarHBondContact O-N 2.85Å; G192-R196 WeakPolarHBondContact O-CG 3.35Å; G192-R196 PolarHBondContact O-N 2.89Å
193S98.6Very high97.8Very high0 Ų016.2 Ų16.20%09%0.09CC..Hα-helixtrans-60.9-46.3-179-62.50000112.3L189 E190 S195 R196 L197 N474L189-S193 WeakPolarHBondContact O-CB 3.34Å; L189-S193 PolarHBondContact O-N 2.9Å; L189-S193 PolarHBondContact O-OG 2.86Å; E190-S193 PolarHBondContact O-N 3.42Å; S193-S195 VanDerWaalsContact C-N 3.31Å; S193-S195 PolarHBondContact O-N 3.46Å; S193-R196 PolarHBondContact O-N 3.16Å; S193-R196 VanDerWaalsContact O-N 3.08Å; S193-L197 WeakPolarHBondContact O-CB 3.14Å; S193-L197 VanDerWaalsContact O-CG 3.23Å; S193-L197 WeakPolarHBondContact O-CG 3.26Å; S193-L197 PolarHBondContact O-N 2.9Å; S193-N474 WeakPolarHBondContact CA-OD1 3.26Å; S193-N474 WeakPolarHBondContact CB-OD1 3.26Å; S193-N474 PolarHBondContact O-OD1 2.66Å; S193-N474 PolarHBondContact OG-ND2 2.99Å; S193-N474 PolarHBondContact OG-OD1 3.19Å
194L98.6Very high97.8Very high0 Ų017.6 Ų17.60%010%0.095CC..Hα-helixtrans-55.6-46.5176.2-170.466.4000111.4L116 L140 A143 E144 A147 E190 G192 R196 L197 T198 Y203L116-L194 HydrophobicContact CD2-CD1 4.27Å; L140-L194 HydrophobicContact CD1-CD1 3.86Å; A143-L194 HydrophobicContact CB-CD1 4.42Å; E144-L194 HydrophobicContact CB-CD1 3.94Å; E144-L194 HydrophobicContact CG-CD1 4.32Å; E144-L194 HydrophobicContact CG-CD2 4.34Å; E144-L194 HydrophobicContact CG-CG 4.49Å; A147-L194 HydrophobicContact CB-CD2 3.3Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 PolarHBondContact O-N 3.47Å; G192-L194 PolarHBondContact O-N 3.11Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.42Å; L194-L197 PolarHBondContact O-N 2.81Å; L194-T198 HydrophobicContact CD1-CG2 3.96Å; L194-T198 HydrophobicContact CG-CG2 4.45Å; L194-T198 WeakPolarHBondContact O-CG2 3.44Å; L194-T198 PolarHBondContact O-N 2.87Å; L194-T198 PolarHBondContact O-OG1 3.04Å; L194-T198 VanDerWaalsContact O-OG1 3.07Å; L194-Y203 HydrophobicContact CB-CD2 4.32Å; L194-Y203 HydrophobicContact CD2-CD1 3.86Å; L194-Y203 HydrophobicContact CD2-CD2 3.64Å; L194-Y203 HydrophobicContact CD2-CE1 3.87Å; L194-Y203 HydrophobicContact CD2-CE2 3.62Å; L194-Y203 HydrophobicContact CD2-CG 3.77Å; L194-Y203 HydrophobicContact CG-CD2 3.88Å; L194-Y203 HydrophobicContact CG-CE2 3.93Å; L194-Y203 HydrophobicContact CG-CG 4.4Å
195S98.6Very high97.8Very high5 Ų524.1 Ų24.14%0.03512%0.124CC..Hα-helixtrans-63.2-35.8177.8-58.10000113.4F191 G192 S193 Q199 N200 Y203 E204F191-S195 WeakPolarHBondContact O-CB 3.25Å; F191-S195 PolarHBondContact O-N 3.17Å; F191-S195 PolarHBondContact O-OG 3.31Å; G192-S195 WeakPolarHBondContact O-CB 3.44Å; G192-S195 PolarHBondContact O-N 2.85Å; S193-S195 VanDerWaalsContact C-N 3.31Å; S193-S195 PolarHBondContact O-N 3.46Å; S195-Q199 CarbonylContact O-C 3.47Å; S195-Q199 WeakPolarHBondContact O-CA 3.08Å; S195-Q199 PolarHBondContact O-N 3.48Å; S195-N200 WeakPolarHBondContact CA-O 3.32Å; S195-N200 WeakPolarHBondContact CB-O 3.23Å; S195-N200 PolarHBondContact O-N 3.13Å; S195-N200 PolarHBondContact OG-O 3.19Å; S195-N200 VanDerWaalsContact OG-O 3.09Å; S195-Y203 WeakPolarHBondContact OG-CB 2.96Å; S195-E204 WeakPolarHBondContact OG-CB 3.22Å; S195-E204 PolarHBondContact OG-N 3.39Å
196R96Very high97.8Very high38 Ų3825.8 Ų25.814%0.14313%0.132CC..Hα-helixtrans-73-43.1177.5-61.1-47.2175.3117.1-3.4111.3G192 S193 L194 E204 F260 N474 C477 S478 E480G192-R196 WeakPolarHBondContact O-CG 3.35Å; G192-R196 PolarHBondContact O-N 2.89Å; S193-R196 PolarHBondContact O-N 3.16Å; S193-R196 VanDerWaalsContact O-N 3.08Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.42Å; R196-E204 IonicContact CZ-OE1 3.44Å; R196-E204 IonicContact CZ-OE2 3.27Å; R196-E204 IonicContact NE-OE1 2.74Å; R196-E204 IonicContact NE-OE2 3.6Å; R196-E204 PolarHBondContact NE-OE2 3.12Å; R196-E204 IonicContact NH2-OE1 2.77Å; R196-E204 PolarHBondContact NH2-OE1 3.33Å; R196-E204 IonicContact NH2-OE2 3.61Å; R196-E204 PolarHBondContact NH2-OE2 3.38Å; R196-F260 HydrophobicContact CG-CD1 4.47Å; R196-F260 HydrophobicContact CG-CE1 4.23Å; R196-N474 HydrophobicContact CB-CB 4.37Å; R196-N474 WeakPolarHBondContact CB-O 3.33Å; R196-C477 CarbonylContact O-C 3.52Å; R196-C477 WeakPolarHBondContact O-CB 3Å; R196-S478 PolarHBondContact O-N 2.81Å; R196-E480 IonicContact NH1-OE2 3.65Å; R196-E480 PolarHBondContact NH1-OE2 3.45Å
197L95.4Very high97.8Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-69.7-46.1-178.2-64.4172.7000112L116 L120 L140 S193 L194 I473 C477L116-L197 HydrophobicContact CD2-CD1 3.82Å; L120-L197 HydrophobicContact CD2-CD1 4.38Å; L120-L197 HydrophobicContact CD2-CD2 4.33Å; L140-L197 HydrophobicContact CD1-CB 3.95Å; L140-L197 HydrophobicContact CD1-CD1 3.89Å; L140-L197 HydrophobicContact CD2-CB 3.83Å; S193-L197 WeakPolarHBondContact O-CB 3.14Å; S193-L197 VanDerWaalsContact O-CG 3.23Å; S193-L197 WeakPolarHBondContact O-CG 3.26Å; S193-L197 PolarHBondContact O-N 2.9Å; L194-L197 PolarHBondContact O-N 2.81Å; L197-I473 HydrophobicContact CD2-CG2 3.76Å; L197-C477 HydrophobicContact CD2-CB 4.05Å
198T95.6Very high97.8Very high35 Ų3527.5 Ų27.522%0.21514%0.142CC..Hα-helixtrans-89.2-9.3-178.375.30000113.5L140 E144 L194 N200L140-T198 HydrophobicContact CD1-CG2 4.08Å; L140-T198 HydrophobicContact CD2-CG2 4.09Å; L140-T198 HydrophobicContact CG-CG2 4.01Å; E144-T198 HydrophobicContact CB-CG2 4.5Å; E144-T198 HydrophobicContact CG-CG2 4.42Å; E144-T198 WeakPolarHBondContact OE1-CB 3.31Å; E144-T198 PolarHBondContact OE1-OG1 3.43Å; L194-T198 HydrophobicContact CD1-CG2 3.96Å; L194-T198 HydrophobicContact CG-CG2 4.45Å; L194-T198 WeakPolarHBondContact O-CG2 3.44Å; L194-T198 PolarHBondContact O-N 2.87Å; L194-T198 PolarHBondContact O-OG1 3.04Å; L194-T198 VanDerWaalsContact O-OG1 3.07Å; T198-N200 PolarHBondContact O-N 3.12Å; T198-N200 WeakPolarHBondContact OG1-CB 3.36Å; T198-N200 PolarHBondContact OG1-N 3.46Å
199Q93.7Very high97.8Very high83 Ų8332 Ų3239%0.38816%0.161SC..  trans61.316.1-172-59.1168.665.100114.5S195 P201 C477 K482S195-Q199 CarbonylContact O-C 3.47Å; S195-Q199 WeakPolarHBondContact O-CA 3.08Å; S195-Q199 PolarHBondContact O-N 3.48Å; Q199-P201 WeakPolarHBondContact O-CD 3.46Å; Q199-C477 WeakPolarHBondContact CG-O 3.28Å; Q199-K482 VanDerWaalsContact NE2-NZ 3.19Å
200N96.7Very high97.8Very high47 Ų4732 Ų3225%0.25116%0.161SC..  trans-89.5106.9172.5-178.2-5.8000110S195 T198 T202 Y203S195-N200 WeakPolarHBondContact CA-O 3.32Å; S195-N200 WeakPolarHBondContact CB-O 3.23Å; S195-N200 PolarHBondContact O-N 3.13Å; S195-N200 PolarHBondContact OG-O 3.19Å; S195-N200 VanDerWaalsContact OG-O 3.09Å; T198-N200 PolarHBondContact O-N 3.12Å; T198-N200 WeakPolarHBondContact OG1-CB 3.36Å; T198-N200 PolarHBondContact OG1-N 3.46Å; N200-T202 PolarHBondContact O-N 3.34Å; N200-T202 VanDerWaalsContact OD1-CB 3.25Å; N200-T202 WeakPolarHBondContact OD1-CB 3.43Å; N200-T202 PolarHBondContact OD1-N 3.37Å; N200-T202 PolarHBondContact OD1-OG1 3.46Å; N200-Y203 HydrophobicContact CB-CD2 4.48Å; N200-Y203 HydrophobicContact CB-CE2 4.01Å; N200-Y203 WeakPolarHBondContact ND2-CE2 3.42Å
201P97Very high97.8Very high66 Ų6632 Ų3243%0.42916%0.161SC..THydrogen-bonded Turntrans-74.1-0.8-172.633.5-38.4000114.1Q199 K205Q199-P201 WeakPolarHBondContact O-CD 3.46Å; P201-K205 HydrophobicContact CB-CD 4.3Å; P201-K205 VanDerWaalsContact O-CB 3.31Å; P201-K205 WeakPolarHBondContact O-CB 3.37Å; P201-K205 WeakPolarHBondContact O-CD 3.37Å; P201-K205 WeakPolarHBondContact O-CG 3.21Å; P201-K205 PolarHBondContact O-N 2.89Å
202T98.4Very high97.7Very high60 Ų6036.9 Ų36.937%0.36818%0.182SC..Hα-helixtrans-61.7-48.3-172-58.80000111.7N200 K205 L206N200-T202 PolarHBondContact O-N 3.34Å; N200-T202 VanDerWaalsContact OD1-CB 3.25Å; N200-T202 WeakPolarHBondContact OD1-CB 3.43Å; N200-T202 PolarHBondContact OD1-N 3.37Å; N200-T202 PolarHBondContact OD1-OG1 3.46Å; T202-K205 PolarHBondContact O-N 3.47Å; T202-L206 HydrophobicContact CG2-CD1 4.08Å; T202-L206 WeakPolarHBondContact O-CG 3.49Å; T202-L206 PolarHBondContact O-N 3.46Å; T202-L206 VanDerWaalsContact O-N 3.09Å
203Y98.8Very high97.7Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-66.8-50.1-172.5-45.8-79.9000111.6E144 A147 N148 L151 F191 L194 S195 N200 K205 L206 A207E144-Y203 HydrophobicContact CG-CE2 4.08Å; E144-Y203 WeakPolarHBondContact CG-OH 3.34Å; E144-Y203 PolarHBondContact OE1-OH 2.93Å; A147-Y203 HydrophobicContact CB-CD1 4.04Å; A147-Y203 HydrophobicContact CB-CE1 3.71Å; N148-Y203 VanDerWaalsContact CG-OH 3.28Å; N148-Y203 PolarHBondContact ND2-OH 3.21Å; N148-Y203 PolarHBondContact OD1-OH 3.17Å; L151-Y203 HydrophobicContact CD1-CE1 4.24Å; L151-Y203 HydrophobicContact CD2-CD1 3.85Å; L151-Y203 HydrophobicContact CD2-CE1 3.92Å; L151-Y203 HydrophobicContact CG-CE1 4.36Å; F191-Y203 HydrophobicContact CD1-CD1 4.49Å; F191-Y203 WeakPolarHBondContact CD1-O 3.49Å; F191-Y203 HydrophobicContact CE1-CD1 4.44Å; F191-Y203 WeakPolarHBondContact O-CB 3.43Å; L194-Y203 HydrophobicContact CB-CD2 4.32Å; L194-Y203 HydrophobicContact CD2-CD1 3.86Å; L194-Y203 HydrophobicContact CD2-CD2 3.64Å; L194-Y203 HydrophobicContact CD2-CE1 3.87Å; L194-Y203 HydrophobicContact CD2-CE2 3.62Å; L194-Y203 HydrophobicContact CD2-CG 3.77Å; L194-Y203 HydrophobicContact CG-CD2 3.88Å; L194-Y203 HydrophobicContact CG-CE2 3.93Å; L194-Y203 HydrophobicContact CG-CG 4.4Å; S195-Y203 WeakPolarHBondContact OG-CB 2.96Å; N200-Y203 HydrophobicContact CB-CD2 4.48Å; N200-Y203 HydrophobicContact CB-CE2 4.01Å; N200-Y203 WeakPolarHBondContact ND2-CE2 3.42Å; Y203-K205 VanDerWaalsContact C-N 3.29Å; Y203-K205 PolarHBondContact O-N 3.46Å; Y203-L206 PolarHBondContact O-N 3.04Å; Y203-L206 VanDerWaalsContact O-N 3.13Å; Y203-A207 PolarHBondContact O-N 2.91Å
204E98.5Very high97.6Very high32 Ų3239 Ų3915%0.1519%0.192CC..Hα-helixtrans-61.8-39.4179.5-173179.6168.200111L188 F191 S195 R196 L206 A207 L208L188-E204 HydrophobicContact CD1-CG 4.12Å; F191-E204 PolarHBondContact O-N 3.1Å; S195-E204 WeakPolarHBondContact OG-CB 3.22Å; S195-E204 PolarHBondContact OG-N 3.39Å; R196-E204 IonicContact CZ-OE1 3.44Å; R196-E204 IonicContact CZ-OE2 3.27Å; R196-E204 IonicContact NE-OE1 2.74Å; R196-E204 IonicContact NE-OE2 3.6Å; R196-E204 PolarHBondContact NE-OE2 3.12Å; R196-E204 IonicContact NH2-OE1 2.77Å; R196-E204 PolarHBondContact NH2-OE1 3.33Å; R196-E204 IonicContact NH2-OE2 3.61Å; R196-E204 PolarHBondContact NH2-OE2 3.38Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.33Å; E204-A207 PolarHBondContact O-N 3.32Å; E204-L208 HydrophobicContact CG-CD1 3.88Å; E204-L208 HydrophobicContact CG-CG 4.28Å; E204-L208 VanDerWaalsContact O-CB 3.3Å; E204-L208 WeakPolarHBondContact O-CB 3.48Å; E204-L208 VanDerWaalsContact O-CG 3.28Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 2.84Å
205K98.5Very high97.6Very high138 Ų13842.3 Ų42.360%0.621%0.205SC*.Hα-helixtrans-62-41.2176.1-78.8175.8178.6176.10112.1P201 T202 Y203 K209P201-K205 HydrophobicContact CB-CD 4.3Å; P201-K205 VanDerWaalsContact O-CB 3.31Å; P201-K205 WeakPolarHBondContact O-CB 3.37Å; P201-K205 WeakPolarHBondContact O-CD 3.37Å; P201-K205 WeakPolarHBondContact O-CG 3.21Å; P201-K205 PolarHBondContact O-N 2.89Å; T202-K205 PolarHBondContact O-N 3.47Å; Y203-K205 VanDerWaalsContact C-N 3.29Å; Y203-K205 PolarHBondContact O-N 3.46Å; K205-K209 VanDerWaalsContact O-CB 3.27Å; K205-K209 WeakPolarHBondContact O-CB 3.27Å; K205-K209 PolarHBondContact O-N 3Å
206L98.7Very high97.6Very high35 Ų3549 Ų4918%0.18323%0.233CC..Hα-helixtrans-66.7-48.8178-71.3172.1000111.1L151 F154 T202 Y203 E204 L208 K209 A210L151-L206 HydrophobicContact CD2-CD1 3.61Å; F154-L206 HydrophobicContact CB-CD1 4.31Å; F154-L206 HydrophobicContact CB-CD2 4.13Å; F154-L206 HydrophobicContact CD1-CB 4.09Å; F154-L206 HydrophobicContact CE1-CB 4.43Å; F154-L206 HydrophobicContact CG-CB 4.44Å; F154-L206 HydrophobicContact CG-CD1 4.34Å; T202-L206 HydrophobicContact CG2-CD1 4.08Å; T202-L206 WeakPolarHBondContact O-CG 3.49Å; T202-L206 PolarHBondContact O-N 3.46Å; T202-L206 VanDerWaalsContact O-N 3.09Å; Y203-L206 PolarHBondContact O-N 3.04Å; Y203-L206 VanDerWaalsContact O-N 3.13Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.33Å; L206-L208 PolarHBondContact O-N 2.8Å; L206-K209 WeakPolarHBondContact O-CB 3.36Å; L206-K209 PolarHBondContact O-N 2.76Å; L206-K209 VanDerWaalsContact O-N 3.13Å; L206-A210 PolarHBondContact O-N 3.42Å
207A98.7Very high97.6Very high2 Ų248.9 Ų48.92%0.01724%0.235CC..Hα-helixtrans-59.5-45.9177.400000112F187 L188 F191 Y203 E204 K209 A210 L211F187-A207 HydrophobicContact CB-CB 3.87Å; L188-A207 HydrophobicContact CB-CB 4.25Å; L188-A207 HydrophobicContact CD1-CB 4.02Å; F191-A207 HydrophobicContact CB-CB 4.1Å; F191-A207 HydrophobicContact CD1-CB 4.43Å; Y203-A207 PolarHBondContact O-N 2.91Å; E204-A207 PolarHBondContact O-N 3.32Å; A207-K209 VanDerWaalsContact C-N 3.32Å; A207-K209 PolarHBondContact O-N 3.27Å; A207-A210 PolarHBondContact O-N 3Å; A207-L211 WeakPolarHBondContact O-CG 3.33Å; A207-L211 PolarHBondContact O-N 2.75Å
208L98.5Very high97.8Very high36 Ų3651.4 Ų51.419%0.18825%0.246CC..Hα-helixtrans-65.6-33.5176-72.6174.5000112.8L188 E204 L206 L211 K212L188-L208 HydrophobicContact CD1-CD2 3.87Å; L188-L208 HydrophobicContact CD1-CG 3.87Å; L188-L208 HydrophobicContact CD2-CD2 3.93Å; E204-L208 HydrophobicContact CG-CD1 3.88Å; E204-L208 HydrophobicContact CG-CG 4.28Å; E204-L208 VanDerWaalsContact O-CB 3.3Å; E204-L208 WeakPolarHBondContact O-CB 3.48Å; E204-L208 VanDerWaalsContact O-CG 3.28Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 2.84Å; L206-L208 PolarHBondContact O-N 2.8Å; L208-L211 HydrophobicContact CD2-CD1 4.45Å; L208-K212 WeakPolarHBondContact O-CB 3.19Å; L208-K212 WeakPolarHBondContact O-CD 3.47Å; L208-K212 WeakPolarHBondContact O-CG 3.34Å; L208-K212 PolarHBondContact O-N 3.28Å
209K98.4Very high97.9Very high94 Ų9450.5 Ų50.541%0.40924%0.241SC..Hα-helixtrans-64.5-46.3175-176.8-176.3175.1-168.10110.1T158 K205 L206 A207 K212 Q213T158-K209 WeakPolarHBondContact O-CE 3.5Å; K205-K209 VanDerWaalsContact O-CB 3.27Å; K205-K209 WeakPolarHBondContact O-CB 3.27Å; K205-K209 PolarHBondContact O-N 3Å; L206-K209 WeakPolarHBondContact O-CB 3.36Å; L206-K209 PolarHBondContact O-N 2.76Å; L206-K209 VanDerWaalsContact O-N 3.13Å; A207-K209 VanDerWaalsContact C-N 3.32Å; A207-K209 PolarHBondContact O-N 3.27Å; K209-K212 PolarHBondContact O-N 2.81Å; K209-Q213 WeakPolarHBondContact O-CG 3.4Å; K209-Q213 PolarHBondContact O-N 3Å; K209-Q213 VanDerWaalsContact O-N 3.1Å
210A98.5Very high98.1Very high0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-58.7-49.9177.200000111.9I184 L206 A207 K212 Q213 L214I184-A210 HydrophobicContact CG2-CB 3.87Å; L206-A210 PolarHBondContact O-N 3.42Å; A207-A210 PolarHBondContact O-N 3Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 2.93Å; A210-Q213 PolarHBondContact O-N 3.2Å; A210-L214 PolarHBondContact O-N 3.37Å
211L98.4Very high98.2Very high2 Ų250.4 Ų50.41%0.0127%0.265CS..Hα-helixtrans-57.3-42.6175.8-71.6171.4000112.9G185 L188 A207 L208 Q213 L214 W215 Y249 L253 L265G185-L211 WeakPolarHBondContact O-CD2 3.48Å; L188-L211 HydrophobicContact CB-CD1 4.01Å; L188-L211 HydrophobicContact CD2-CD1 3.67Å; L188-L211 HydrophobicContact CG-CD1 4.35Å; A207-L211 WeakPolarHBondContact O-CG 3.33Å; A207-L211 PolarHBondContact O-N 2.75Å; L208-L211 HydrophobicContact CD2-CD1 4.45Å; L211-Q213 VanDerWaalsContact C-N 3.27Å; L211-Q213 PolarHBondContact O-N 3.43Å; L211-L214 PolarHBondContact O-N 2.91Å; L211-W215 WeakPolarHBondContact O-CB 3.25Å; L211-W215 PolarHBondContact O-N 2.94Å; L211-Y249 HydrophobicContact CD2-CD2 3.78Å; L211-Y249 HydrophobicContact CD2-CE2 3.5Å; L211-Y249 VanDerWaalsContact CD2-CE2 3.5Å; L211-L253 HydrophobicContact CD2-CD2 4.21Å; L211-L265 HydrophobicContact CD1-CD2 3.86Å
212K98.3Very high98.3Very high101 Ų10147.9 Ų47.944%0.43925%0.25SS..Hα-helixtrans-64.4-30.2176.6-75.9170.4-175.3176.90112.8L208 K209 A210 K216 F264L208-K212 WeakPolarHBondContact O-CB 3.19Å; L208-K212 WeakPolarHBondContact O-CD 3.47Å; L208-K212 WeakPolarHBondContact O-CG 3.34Å; L208-K212 PolarHBondContact O-N 3.28Å; K209-K212 PolarHBondContact O-N 2.81Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 2.93Å; K212-K216 WeakPolarHBondContact O-CG 3.41Å; K212-K216 PolarHBondContact O-N 3.16Å; K212-F264 HydrophobicContact CG-CE1 4.33Å; K212-F264 HydrophobicContact CG-CE2 4.02Å; K212-F264 HydrophobicContact CG-CZ 3.54Å
213Q97.5Very high98.3Very high44 Ų4445.1 Ų45.121%0.20623%0.233CC..Hα-helixtrans-74.5-48.4174.8-64-58-6.900111.3T158 M160 K209 A210 L211 W215 K216 L217T158-Q213 WeakPolarHBondContact O-CG 3.37Å; M160-Q213 HydrophobicContact CG-CB 3.98Å; M160-Q213 HydrophobicContact CG-CG 4.48Å; M160-Q213 HydrophobicContact SD-CB 3.88Å; K209-Q213 WeakPolarHBondContact O-CG 3.4Å; K209-Q213 PolarHBondContact O-N 3Å; K209-Q213 VanDerWaalsContact O-N 3.1Å; A210-Q213 PolarHBondContact O-N 3.2Å; L211-Q213 VanDerWaalsContact C-N 3.27Å; L211-Q213 PolarHBondContact O-N 3.43Å; Q213-W215 PolarHBondContact O-N 2.74Å; Q213-K216 WeakPolarHBondContact O-CB 3.26Å; Q213-K216 PolarHBondContact O-N 3.05Å; Q213-L217 WeakPolarHBondContact O-CG 3.28Å; Q213-L217 PolarHBondContact O-N 2.92Å
214L97.4Very high98.3Very high0 Ų045.1 Ų45.10%023%0.234CC..Hα-helixtrans-53-43.1174.5-76.2178.7000112M160 T181 I184 A210 L211 K216 L217 W235 Y249M160-L214 HydrophobicContact SD-CD2 4.2Å; M160-L214 HydrophobicContact SD-CG 4.41Å; T181-L214 HydrophobicContact CG2-CD1 4.27Å; T181-L214 HydrophobicContact CG2-CD2 4.41Å; I184-L214 HydrophobicContact CB-CD1 3.85Å; I184-L214 HydrophobicContact CB-CD2 4.23Å; I184-L214 HydrophobicContact CB-CG 4.17Å; I184-L214 HydrophobicContact CD1-CD2 3.97Å; I184-L214 HydrophobicContact CG2-CD1 3.59Å; I184-L214 HydrophobicContact CG2-CD2 4.01Å; I184-L214 HydrophobicContact CG2-CG 3.58Å; A210-L214 PolarHBondContact O-N 3.37Å; L211-L214 PolarHBondContact O-N 2.91Å; L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 3.07Å; L214-L217 PolarHBondContact O-N 3.01Å; L214-W235 HydrophobicContact CD2-CH2 4.26Å; L214-Y249 HydrophobicContact CB-CE2 4.43Å; L214-Y249 HydrophobicContact CD1-CD2 3.96Å; L214-Y249 HydrophobicContact CD1-CE2 3.79Å; L214-Y249 HydrophobicContact CD1-CG 4.38Å
215W97.9Very high98.3Very high71 Ų7143.6 Ų43.627%0.26923%0.227SC..Hα-helixtrans-58-36.3176.4179.5-109.1000113L211 Q213 L217 K218 H268 A271 Y272L211-W215 WeakPolarHBondContact O-CB 3.25Å; L211-W215 PolarHBondContact O-N 2.94Å; Q213-W215 PolarHBondContact O-N 2.74Å; W215-L217 VanDerWaalsContact C-N 3.28Å; W215-L217 PolarHBondContact O-N 3.48Å; W215-K218 HydrophobicContact CD2-CD 4.3Å; W215-K218 HydrophobicContact CE3-CD 3.61Å; W215-K218 HydrophobicContact CH2-CD 4.2Å; W215-K218 HydrophobicContact CZ3-CD 3.56Å; W215-K218 VanDerWaalsContact CZ3-CE 3.47Å; W215-K218 VanDerWaalsContact CZ3-NZ 3.34Å; W215-K218 WeakPolarHBondContact O-CG 3.21Å; W215-K218 PolarHBondContact O-NZ 3.43Å; W215-H268 AromaticContact CD1-NE2 3.35Å; W215-H268 VanDerWaalsContact CD1-NE2 3.35Å; W215-H268 AromaticContact CD2-CD2 3.05Å; W215-H268 AromaticContact CD2-CE1 4Å; W215-H268 AromaticContact CD2-CG 3.9Å; W215-H268 AromaticContact CD2-NE2 3.13Å; W215-H268 AromaticContact CE2-CD2 3.72Å; W215-H268 AromaticContact CE2-CE1 3.89Å; W215-H268 AromaticContact CE2-NE2 3.43Å; W215-H268 HydrophobicContact CE3-CB 4.15Å; W215-H268 AromaticContact CE3-CD2 3.15Å; W215-H268 AromaticContact CE3-CG 3.73Å; W215-H268 AromaticContact CE3-NE2 3.78Å; W215-H268 AromaticContact CG-CD2 3.35Å; W215-H268 AromaticContact CG-NE2 3.1Å; W215-H268 HydrophobicContact CZ3-CB 4.12Å; W215-H268 AromaticContact CZ3-CD2 3.87Å; W215-H268 AromaticContact CZ3-CG 3.99Å; W215-H268 AromaticContact NE1-NE2 3.51Å; W215-A271 HydrophobicContact CH2-CB 3.62Å; W215-A271 HydrophobicContact CZ3-CB 4.13Å; W215-Y272 AromaticContact CE3-CE2 3.66Å; W215-Y272 HydrophobicContact CE3-CE2 3.66Å; W215-Y272 AromaticContact CE3-CZ 3.85Å; W215-Y272 HydrophobicContact CZ3-CD2 4.14Å; W215-Y272 AromaticContact CZ3-CE2 3.67Å; W215-Y272 HydrophobicContact CZ3-CE2 3.67Å; W215-Y272 AromaticContact CZ3-CZ 3.95Å
216K98Very high98.3Very high144 Ų14438 Ų3863%0.62620%0.203SC*.Hα-helixtrans-73.3-22.2178.9-69.2170.1-175176.50113.1K212 Q213 L214K212-K216 WeakPolarHBondContact O-CG 3.41Å; K212-K216 PolarHBondContact O-N 3.16Å; Q213-K216 WeakPolarHBondContact O-CB 3.26Å; Q213-K216 PolarHBondContact O-N 3.05Å; L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 3.07Å
217L97.7Very high98.3Very high37 Ų3739.7 Ų39.719%0.19421%0.21CC..THydrogen-bonded Turntrans-952.7-170-61.9169.2000113.7M160 Q213 L214 W215 I228 W235M160-L217 HydrophobicContact CE-CD1 3.93Å; M160-L217 HydrophobicContact SD-CD1 4.26Å; Q213-L217 WeakPolarHBondContact O-CG 3.28Å; Q213-L217 PolarHBondContact O-N 2.92Å; L214-L217 PolarHBondContact O-N 3.01Å; W215-L217 VanDerWaalsContact C-N 3.28Å; W215-L217 PolarHBondContact O-N 3.48Å; L217-I228 HydrophobicContact CB-CD1 4.47Å; L217-I228 HydrophobicContact CD1-CD1 3.53Å; L217-W235 HydrophobicContact CB-CZ2 3.93Å; L217-W235 PolarHBondContact O-NE1 3.43Å
218K98.1Very high98.3Very high52 Ų5239.6 Ų39.623%0.22621%0.209CC..  trans-53.5148.2172.6-59.7-173.5-52.1-71.50111.5W215 L223 V224 Y272W215-K218 HydrophobicContact CD2-CD 4.3Å; W215-K218 HydrophobicContact CE3-CD 3.61Å; W215-K218 HydrophobicContact CH2-CD 4.2Å; W215-K218 HydrophobicContact CZ3-CD 3.56Å; W215-K218 VanDerWaalsContact CZ3-CE 3.47Å; W215-K218 VanDerWaalsContact CZ3-NZ 3.34Å; W215-K218 WeakPolarHBondContact O-CG 3.21Å; W215-K218 PolarHBondContact O-NZ 3.43Å; K218-L223 CarbonylContact C-O 3.08Å; K218-L223 WeakPolarHBondContact CA-O 3.41Å; K218-V224 HydrophobicContact CG-CG1 3.97Å; K218-Y272 HydrophobicContact CD-CD1 4.4Å; K218-Y272 HydrophobicContact CD-CE1 3.42Å; K218-Y272 VanDerWaalsContact CD-CE1 3.42Å; K218-Y272 HydrophobicContact CD-CE2 4.43Å; K218-Y272 VanDerWaalsContact CD-CZ 3.46Å; K218-Y272 VanDerWaalsContact CD-OH 3.26Å; K218-Y272 WeakPolarHBondContact CD-OH 3.41Å; K218-Y272 HydrophobicContact CG-CE1 3.93Å; K218-Y272 VanDerWaalsContact CG-OH 3.24Å; K218-Y272 WeakPolarHBondContact CG-OH 3.49Å
219S98.4Very high98.3Very high17 Ų1739.4 Ų39.412%0.11921%0.208CC..  trans-66.1171.9173.175.40000112.4I221 G222 L223 M291S219-I221 PolarHBondContact O-N 3.24Å; S219-I221 VanDerWaalsContact O-N 3.13Å; S219-I221 VanDerWaalsContact OG-CG1 3.27Å; S219-I221 WeakPolarHBondContact OG-CG1 3.48Å; S219-I221 PolarHBondContact OG-N 3.01Å; S219-G222 WeakPolarHBondContact O-CA 3.26Å; S219-G222 PolarHBondContact O-N 3.4Å; S219-G222 PolarHBondContact OG-N 2.9Å; S219-L223 PolarHBondContact N-O 3.33Å; S219-L223 PolarHBondContact OG-N 3.06Å; S219-L223 PolarHBondContact OG-O 3.38Å; S219-M291 WeakPolarHBondContact CB-O 3.24Å; S219-M291 PolarHBondContact OG-O 3.31Å
220G98Very high98.2Very high91 Ų9135 Ų3594%0.93819%0.189SC*.THydrogen-bonded Turntrans-59.3-21.8174.700000114.5
221I98.4Very high98.1Very high36 Ų3638.2 Ų38.219%0.18520%0.204CC..THydrogen-bonded Turntrans-97.10.5174.164.4167.8000113.3S219 L223 V275 Y279 M291S219-I221 PolarHBondContact O-N 3.24Å; S219-I221 VanDerWaalsContact O-N 3.13Å; S219-I221 VanDerWaalsContact OG-CG1 3.27Å; S219-I221 WeakPolarHBondContact OG-CG1 3.48Å; S219-I221 PolarHBondContact OG-N 3.01Å; I221-L223 HydrophobicContact CD1-CD1 3.8Å; I221-L223 HydrophobicContact CD1-CG 4.17Å; I221-L223 HydrophobicContact CG1-CB 4.5Å; I221-L223 HydrophobicContact CG1-CD1 4.4Å; I221-L223 HydrophobicContact CG1-CG 4.25Å; I221-V275 WeakPolarHBondContact O-CG1 3.5Å; I221-Y279 HydrophobicContact CB-CD2 4.47Å; I221-Y279 HydrophobicContact CB-CE2 3.85Å; I221-Y279 HydrophobicContact CD1-CD1 4.12Å; I221-Y279 HydrophobicContact CD1-CD2 4.2Å; I221-Y279 HydrophobicContact CD1-CE1 4.22Å; I221-Y279 HydrophobicContact CD1-CE2 4.32Å; I221-Y279 HydrophobicContact CD1-CG 4.1Å; I221-Y279 HydrophobicContact CG1-CE2 4.5Å; I221-M291 WeakPolarHBondContact CD1-O 3.42Å; I221-M291 WeakPolarHBondContact CG1-O 3.2Å
222G98.4Very high98Very high13 Ų1341.5 Ų41.513%0.13423%0.227CC..SBendtrans90.64.4174.600000115.8S219 Y272S219-G222 WeakPolarHBondContact O-CA 3.26Å; S219-G222 PolarHBondContact O-N 3.4Å; S219-G222 PolarHBondContact OG-N 2.9Å; G222-Y272 WeakPolarHBondContact O-CE1 3.47Å
223L98.7Very high97.9Very high2 Ų238.3 Ų38.31%0.0122%0.218CC..  trans-84.7164176.2-65.3-179000111.9K218 S219 I221 V275 V280 V289 M291K218-L223 CarbonylContact C-O 3.08Å; K218-L223 WeakPolarHBondContact CA-O 3.41Å; S219-L223 PolarHBondContact N-O 3.33Å; S219-L223 PolarHBondContact OG-N 3.06Å; S219-L223 PolarHBondContact OG-O 3.38Å; I221-L223 HydrophobicContact CD1-CD1 3.8Å; I221-L223 HydrophobicContact CD1-CG 4.17Å; I221-L223 HydrophobicContact CG1-CB 4.5Å; I221-L223 HydrophobicContact CG1-CD1 4.4Å; I221-L223 HydrophobicContact CG1-CG 4.25Å; L223-V275 HydrophobicContact CD2-CB 4.27Å; L223-V275 HydrophobicContact CD2-CG2 3.9Å; L223-V280 HydrophobicContact CD1-CG2 4.45Å; L223-V280 HydrophobicContact CD2-CG2 4.09Å; L223-V289 HydrophobicContact CD1-CG2 3.76Å; L223-M291 HydrophobicContact CB-CB 4Å
224V98.6Very high97.9Very high1 Ų138.6 Ų38.61%0.00623%0.228CC..  trans-119.3150.7175.4-70.20000109.4T181 K218 W235 S240 V246 Y249 F250 Y272T181-V224 HydrophobicContact CG2-CG2 4.12Å; K218-V224 HydrophobicContact CG-CG1 3.97Å; V224-W235 HydrophobicContact CB-CH2 3.84Å; V224-W235 HydrophobicContact CB-CZ2 4.1Å; V224-W235 HydrophobicContact CG1-CH2 4.25Å; V224-W235 HydrophobicContact CG1-CZ2 4.2Å; V224-S240 WeakPolarHBondContact O-CB 3.36Å; V224-S240 PolarHBondContact O-OG 3.29Å; V224-V246 HydrophobicContact CG2-CG1 3.91Å; V224-Y249 HydrophobicContact CG2-CE1 4.41Å; V224-F250 HydrophobicContact CG2-CZ 4.06Å; V224-Y272 HydrophobicContact CG1-CE1 3.98Å; V224-Y272 WeakPolarHBondContact CG1-OH 3.21Å
225G98.4Very high98Very high0 Ų040.7 Ų40.70%024%0.236CC..  trans-78.8177.7175.300000111.9T181 W235 A237 D239 M291T181-G225 PolarHBondContact OG1-O 3.29Å; G225-W235 WeakPolarHBondContact O-CZ3 3.41Å; G225-A237 CarbonylContact C-O 3.01Å; G225-A237 WeakPolarHBondContact CA-O 3.31Å; G225-D239 CarbonylContact C-O 3.54Å; G225-M291 VanDerWaalsContact CA-SD 3.57Å; G225-M291 PolarHBondContact N-SD 3.16Å; G225-M291 VanDerWaalsContact N-SD 3.38Å
226N98.5Very high98Very high21 Ų2140.8 Ų40.811%0.11224%0.244CC..SBendtrans-81.1-47.6176-166-56.2000111.5C180 T181 A237 D239 G244 V246 W288C180-N226 CarbonylContact C-O 3.46Å; C180-N226 WeakPolarHBondContact CA-O 3.47Å; C180-N226 WeakPolarHBondContact CB-O 3.21Å; T181-N226 PolarHBondContact N-O 3.49Å; N226-A237 HydrophobicContact CB-CB 4.17Å; N226-A237 PolarHBondContact N-O 2.74Å; N226-D239 WeakPolarHBondContact CB-O 3.12Å; N226-D239 PolarHBondContact N-O 3.13Å; N226-G244 PolarHBondContact ND2-O 3Å; N226-V246 HydrophobicContact CB-CG2 4.4Å; N226-W288 HydrophobicContact CB-CZ3 4.11Å; N226-W288 WeakPolarHBondContact ND2-CH2 3.34Å; N226-W288 WeakPolarHBondContact ND2-CZ3 3.43Å
227H98.7Very high98Very high70 Ų7035.3 Ų35.332%0.32423%0.225SC..EExtended strand (participates in β ladder)trans-125.7145.2-177.8-69.866.4000112.7I178 T179 T236 A237I178-H227 HydrophobicContact CG2-CB 3.94Å; T179-H227 CarbonylContact O-C 3.56Å; T179-H227 VanDerWaalsContact O-CA 3.3Å; T179-H227 WeakPolarHBondContact O-CA 3.47Å; H227-T236 WeakPolarHBondContact CB-OG1 3.33Å; H227-T236 PolarHBondContact O-N 3.13Å; H227-T236 PolarHBondContact O-OG1 2.59Å; H227-A237 HydrophobicContact CB-CB 3.8Å; H227-A237 PolarHBondContact N-O 2.8Å; H227-A237 PolarHBondContact O-N 3.23Å; H227-A237 VanDerWaalsContact O-N 3.13Å
228I98.6Very high98Very high0 Ų035.9 Ų35.90%023%0.231CC..EExtended strand (participates in β ladder)trans-140.9145.2-176-166.9168.9000111.4M160 I178 T179 I184 L217 A234 W235M160-I228 HydrophobicContact CE-CD1 4.32Å; I178-I228 WeakPolarHBondContact CA-O 3.21Å; T179-I228 PolarHBondContact N-O 2.83Å; T179-I228 PolarHBondContact O-N 3.45Å; I184-I228 HydrophobicContact CD1-CG2 3.3Å; L217-I228 HydrophobicContact CB-CD1 4.47Å; L217-I228 HydrophobicContact CD1-CD1 3.53Å; I228-A234 WeakPolarHBondContact CG1-O 3.25Å; I228-W235 HydrophobicContact CB-CD2 4.33Å; I228-W235 HydrophobicContact CB-CE3 3.7Å; I228-W235 HydrophobicContact CB-CH2 4.49Å; I228-W235 HydrophobicContact CB-CZ3 3.77Å; I228-W235 HydrophobicContact CD1-CD2 4.04Å; I228-W235 HydrophobicContact CD1-CE3 4.14Å; I228-W235 HydrophobicContact CD1-CH2 4.08Å; I228-W235 HydrophobicContact CD1-CZ2 4.01Å; I228-W235 HydrophobicContact CD1-CZ3 4.14Å; I228-W235 HydrophobicContact CG1-CD2 4.27Å; I228-W235 HydrophobicContact CG1-CE3 4.13Å; I228-W235 HydrophobicContact CG1-CZ3 4.39Å; I228-W235 HydrophobicContact CG2-CZ3 4.32Å
229D98.5Very high98Very high32 Ų3236.2 Ų36.217%0.17124%0.235CC..EExtended strand (participates in β ladder)trans-81.4114.8167.2176.2-5.1000110.2T177 I178 Q231 S232 S233 A234 T236T177-D229 VanDerWaalsContact CB-OD1 3.25Å; T177-D229 WeakPolarHBondContact CB-OD1 3.27Å; T177-D229 WeakPolarHBondContact O-CA 3.5Å; T177-D229 VanDerWaalsContact OG1-CG 3.28Å; T177-D229 PolarHBondContact OG1-OD1 3.44Å; I178-D229 HydrophobicContact CG1-CB 4.49Å; D229-Q231 PolarHBondContact O-N 3.46Å; D229-Q231 PolarHBondContact OD1-N 3.12Å; D229-S232 VanDerWaalsContact CB-OG 3.32Å; D229-S232 WeakPolarHBondContact CB-OG 3.46Å; D229-S232 PolarHBondContact OD1-N 3.39Å; D229-S232 WeakPolarHBondContact OD2-CB 3.37Å; D229-S232 PolarHBondContact OD2-OG 3.25Å; D229-S233 WeakPolarHBondContact O-CA 3.1Å; D229-S233 PolarHBondContact O-N 3.15Å; D229-A234 PolarHBondContact N-O 2.67Å; D229-T236 HydrophobicContact CB-CG2 4.32Å
230I97.6Very high98Very high0 Ų035.5 Ų35.50%023%0.23CC..THydrogen-bonded Turntrans-72.6-10.6-175.571-163.5000114.1T156 T158 M160 P161 Y162 T177 T179 I184T156-I230 HydrophobicContact CG2-CD1 3.74Å; T156-I230 HydrophobicContact CG2-CG1 4.01Å; T158-I230 WeakPolarHBondContact CB-O 3.35Å; T158-I230 WeakPolarHBondContact CG2-O 3.28Å; T158-I230 PolarHBondContact OG1-O 3.1Å; M160-I230 HydrophobicContact CB-CB 4.13Å; M160-I230 HydrophobicContact CB-CG2 3.98Å; M160-I230 HydrophobicContact CE-CB 4.49Å; P161-I230 WeakPolarHBondContact O-CD1 3.42Å; Y162-I230 HydrophobicContact CD1-CD1 3.71Å; Y162-I230 HydrophobicContact CD2-CD1 4.02Å; Y162-I230 HydrophobicContact CE1-CD1 4Å; Y162-I230 HydrophobicContact CE2-CD1 4.28Å; Y162-I230 HydrophobicContact CG-CD1 3.73Å; T177-I230 VanDerWaalsContact O-CG1 3.28Å; T177-I230 WeakPolarHBondContact O-CG1 3.5Å; T177-I230 PolarHBondContact O-N 2.85Å; T179-I230 HydrophobicContact CG2-CG2 3.43Å; T179-I230 VanDerWaalsContact CG2-CG2 3.43Å; I184-I230 HydrophobicContact CD1-CG2 4.14Å
231Q95.7Very high98Very high69 Ų6931.1 Ų31.132%0.32219%0.185SC..THydrogen-bonded Turntrans-93.3-47175.3-61.2-68.61100110.9A157 Y162 T177 D229A157-Q231 VanDerWaalsContact CB-OE1 3.27Å; Y162-Q231 PolarHBondContact OH-NE2 2.87Å; T177-Q231 HydrophobicContact CG2-CB 4.4Å; T177-Q231 HydrophobicContact CG2-CG 3.45Å; T177-Q231 VanDerWaalsContact CG2-CG 3.45Å; D229-Q231 PolarHBondContact O-N 3.46Å; D229-Q231 PolarHBondContact OD1-N 3.12Å
232S96.6Very high98Very high70 Ų7029.4 Ų29.449%0.4918%0.176SC..THydrogen-bonded Turntrans-88.6-16.4-177.966.50000114.2D229 A234D229-S232 VanDerWaalsContact CB-OG 3.32Å; D229-S232 WeakPolarHBondContact CB-OG 3.46Å; D229-S232 PolarHBondContact OD1-N 3.39Å; D229-S232 WeakPolarHBondContact OD2-CB 3.37Å; D229-S232 PolarHBondContact OD2-OG 3.25Å; S232-A234 PolarHBondContact O-N 3.09Å; S232-A234 WeakPolarHBondContact OG-CB 3.3Å; S232-A234 PolarHBondContact OG-N 2.87Å
233S96.4Very high97.9Very high35 Ų3528.8 Ų28.825%0.24517%0.17CC..  trans62.120-169.1-49.10000114.4T158 D229T158-S233 WeakPolarHBondContact CG2-OG 3.33Å; D229-S233 WeakPolarHBondContact O-CA 3.1Å; D229-S233 PolarHBondContact O-N 3.15Å
234A97.6Very high97.7Very high50 Ų5029.6 Ų29.641%0.41318%0.179SC..  trans-86.5129.1176.600000111.1I228 D229 S232 T236I228-A234 WeakPolarHBondContact CG1-O 3.25Å; D229-A234 PolarHBondContact N-O 2.67Å; S232-A234 PolarHBondContact O-N 3.09Å; S232-A234 WeakPolarHBondContact OG-CB 3.3Å; S232-A234 PolarHBondContact OG-N 2.87Å; A234-T236 PolarHBondContact O-N 2.66Å
235W98.5Very high97.6Very high44 Ų4430.3 Ų30.317%0.16719%0.186CC..EExtended strand (participates in β ladder)trans-66.8125.6171.3-65.7106000110.1T181 L214 L217 V224 G225 I228 T238 M291T181-W235 VanDerWaalsContact OG1-CZ3 3.28Å; T181-W235 WeakPolarHBondContact OG1-CZ3 3.48Å; L214-W235 HydrophobicContact CD2-CH2 4.26Å; L217-W235 HydrophobicContact CB-CZ2 3.93Å; L217-W235 PolarHBondContact O-NE1 3.43Å; V224-W235 HydrophobicContact CB-CH2 3.84Å; V224-W235 HydrophobicContact CB-CZ2 4.1Å; V224-W235 HydrophobicContact CG1-CH2 4.25Å; V224-W235 HydrophobicContact CG1-CZ2 4.2Å; G225-W235 WeakPolarHBondContact O-CZ3 3.41Å; I228-W235 HydrophobicContact CB-CD2 4.33Å; I228-W235 HydrophobicContact CB-CE3 3.7Å; I228-W235 HydrophobicContact CB-CH2 4.49Å; I228-W235 HydrophobicContact CB-CZ3 3.77Å; I228-W235 HydrophobicContact CD1-CD2 4.04Å; I228-W235 HydrophobicContact CD1-CE3 4.14Å; I228-W235 HydrophobicContact CD1-CH2 4.08Å; I228-W235 HydrophobicContact CD1-CZ2 4.01Å; I228-W235 HydrophobicContact CD1-CZ3 4.14Å; I228-W235 HydrophobicContact CG1-CD2 4.27Å; I228-W235 HydrophobicContact CG1-CE3 4.13Å; I228-W235 HydrophobicContact CG1-CZ3 4.39Å; I228-W235 HydrophobicContact CG2-CZ3 4.32Å; W235-T238 HydrophobicContact CB-CG2 4.02Å; W235-M291 HydrophobicContact CB-SD 4.18Å; W235-M291 HydrophobicContact CD2-CE 4.02Å; W235-M291 HydrophobicContact CD2-SD 4.02Å; W235-M291 HydrophobicContact CG-CE 3.99Å; W235-M291 HydrophobicContact CG-SD 3.77Å; W235-M291 HydrophobicContact CZ2-CE 4.33Å
236T98.3Very high97.6Very high73 Ų7330.3 Ų30.345%0.44819%0.186SC..EExtended strand (participates in β ladder)trans-104.5-23.8179.956.80000112.6I178 H227 D229 A234I178-T236 HydrophobicContact CD1-CG2 3.99Å; I178-T236 HydrophobicContact CG1-CG2 4.15Å; I178-T236 WeakPolarHBondContact CG2-OG1 3.15Å; H227-T236 WeakPolarHBondContact CB-OG1 3.33Å; H227-T236 PolarHBondContact O-N 3.13Å; H227-T236 PolarHBondContact O-OG1 2.59Å; D229-T236 HydrophobicContact CB-CG2 4.32Å; A234-T236 PolarHBondContact O-N 2.66Å
237A98.2Very high97.6Very high28 Ų2830.3 Ų30.323%0.23119%0.186CC..EExtended strand (participates in β ladder)trans-127.7113.6165.700000109.4G225 N226 H227G225-A237 CarbonylContact C-O 3.01Å; G225-A237 WeakPolarHBondContact CA-O 3.31Å; N226-A237 HydrophobicContact CB-CB 4.17Å; N226-A237 PolarHBondContact N-O 2.74Å; H227-A237 HydrophobicContact CB-CB 3.8Å; H227-A237 PolarHBondContact N-O 2.8Å; H227-A237 PolarHBondContact O-N 3.23Å; H227-A237 VanDerWaalsContact O-N 3.13Å
238T98.3Very high97.6Very high50 Ų5027 Ų2731%0.30717%0.171SC..  trans-97.31.9-170.555.40000114W235 M291W235-T238 HydrophobicContact CB-CG2 4.02Å; T238-M291 HydrophobicContact CG2-CG 4.44Å; T238-M291 HydrophobicContact CG2-SD 4.04Å; T238-M291 WeakPolarHBondContact O-CB 3.33Å; T238-M291 WeakPolarHBondContact O-CG 3.5Å; T238-M291 PolarHBondContact O-N 3.07Å
239D98.2Very high97.6Very high58 Ų5827 Ų2731%0.3117%0.171SC..EExtended strand (participates in β ladder)trans-65.2135.6168.3-63.7-66.2000109.6G225 N226 W288 S297G225-D239 CarbonylContact C-O 3.54Å; N226-D239 WeakPolarHBondContact CB-O 3.12Å; N226-D239 PolarHBondContact N-O 3.13Å; D239-W288 HydrophobicContact CB-CE3 3.87Å; D239-W288 HydrophobicContact CB-CZ3 4.47Å; D239-S297 WeakPolarHBondContact OD1-CB 3.35Å; D239-S297 PolarHBondContact OD1-OG 2.84Å
240S98.4Very high97.6Very high2 Ų225.6 Ų25.61%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-127.4136.7-175.6-179.30000109V224 W288 V289V224-S240 WeakPolarHBondContact O-CB 3.36Å; V224-S240 PolarHBondContact O-OG 3.29Å; S240-W288 VanDerWaalsContact C-CE3 3.46Å; S240-W288 WeakPolarHBondContact O-CA 3.32Å; S240-V289 WeakPolarHBondContact CA-O 3.28Å; S240-V289 WeakPolarHBondContact CB-O 3.23Å; S240-V289 PolarHBondContact N-O 2.75Å; S240-V289 PolarHBondContact O-N 2.72Å
241G97.7Very high97.6Very high0 Ų025.7 Ų25.70%016%0.163CC..  trans-161.9-160.4174.600000109.2
242I98.1Very high97.8Very high0 Ų022.4 Ų22.40%015%0.148CC..SBendtrans-110.93170.958.7167000112.1D247 F250 I276 F286 E305 F307 W308I242-D247 VanDerWaalsContact O-CA 3.27Å; I242-D247 WeakPolarHBondContact O-CA 3.32Å; I242-D247 WeakPolarHBondContact O-CB 3.45Å; I242-F250 HydrophobicContact CG2-CD2 4.27Å; I242-F250 HydrophobicContact CG2-CE2 4.19Å; I242-I276 HydrophobicContact CG2-CD1 3.9Å; I242-I276 HydrophobicContact CG2-CG1 4.29Å; I242-I276 HydrophobicContact CG2-CG2 3.73Å; I242-F286 HydrophobicContact CD1-CB 3.5Å; I242-F286 VanDerWaalsContact CD1-CB 3.5Å; I242-F286 HydrophobicContact CD1-CD1 3.9Å; I242-F286 HydrophobicContact CD1-CD2 3.91Å; I242-F286 HydrophobicContact CD1-CG 3.5Å; I242-F286 VanDerWaalsContact CD1-CG 3.5Å; I242-F286 HydrophobicContact CG1-CB 3.68Å; I242-F286 HydrophobicContact CG1-CG 4.18Å; I242-E305 HydrophobicContact CD1-CB 4.23Å; I242-E305 HydrophobicContact CG1-CB 4.16Å; I242-E305 HydrophobicContact CG1-CG 4.03Å; I242-F307 HydrophobicContact CB-CE1 4.49Å; I242-F307 VanDerWaalsContact O-CE1 3.27Å; I242-F307 WeakPolarHBondContact O-CE1 3.17Å; I242-W308 HydrophobicContact CD1-CB 3.62Å; I242-W308 HydrophobicContact CD1-CD2 3.88Å; I242-W308 HydrophobicContact CD1-CE3 4.39Å; I242-W308 HydrophobicContact CD1-CG 3.51Å; I242-W308 HydrophobicContact CG2-CE3 4.36Å; I242-W308 HydrophobicContact CG2-CZ3 4.38Å
243G96.2Very high97.9Very high0 Ų019.1 Ų19.10%013%0.125CC..SBendtrans-89.6-153.4-17700000113.8G245 V246 D247G243-G245 PolarHBondContact O-N 2.88Å; G243-V246 PolarHBondContact O-N 2.81Å; G243-V246 VanDerWaalsContact O-N 3.07Å; G243-D247 PolarHBondContact O-N 3.42Å
244G94.8Very high98Very high19 Ų1918 Ų1820%0.19612%0.116CC..THydrogen-bonded Turntrans-51.5127.2-169.700000114.5N226 V246 D247 W288N226-G244 PolarHBondContact ND2-O 3Å; G244-V246 VanDerWaalsContact C-N 3.35Å; G244-D247 WeakPolarHBondContact CA-OD2 3.49Å; G244-W288 WeakPolarHBondContact O-CH2 3.4Å
245G96.9Very high98Very high15 Ų1515.8 Ų15.816%0.15510%0.098CC..THydrogen-bonded Turntrans87.9-1.3179.500000114.3T181 A182 G243T181-G245 WeakPolarHBondContact CB-O 3.44Å; T181-G245 PolarHBondContact N-O 3.47Å; T181-G245 VanDerWaalsContact N-O 3.12Å; A182-G245 WeakPolarHBondContact CB-O 3.43Å; A182-G245 PolarHBondContact N-O 2.97Å; G243-G245 PolarHBondContact O-N 2.88Å
246V98.1Very high98Very high0 Ų013.7 Ų13.70%09%0.09CC..THydrogen-bonded Turntrans-134.4-38.1175.1-167.80000112T181 V224 N226 G243 G244 S248 Y249 F250 W288T181-V246 HydrophobicContact CG2-CG1 4.07Å; V224-V246 HydrophobicContact CG2-CG1 3.91Å; N226-V246 HydrophobicContact CB-CG2 4.4Å; G243-V246 PolarHBondContact O-N 2.81Å; G243-V246 VanDerWaalsContact O-N 3.07Å; G244-V246 VanDerWaalsContact C-N 3.35Å; V246-S248 PolarHBondContact O-N 2.97Å; V246-Y249 VanDerWaalsContact O-CB 3.26Å; V246-Y249 WeakPolarHBondContact O-CB 3.29Å; V246-Y249 PolarHBondContact O-N 2.93Å; V246-Y249 VanDerWaalsContact O-N 3.12Å; V246-F250 HydrophobicContact CG1-CD2 4.27Å; V246-F250 HydrophobicContact CG1-CE2 3.45Å; V246-F250 VanDerWaalsContact CG1-CE2 3.45Å; V246-F250 HydrophobicContact CG1-CZ 3.73Å; V246-W288 HydrophobicContact CG2-CH2 4.07Å; V246-W288 HydrophobicContact CG2-CZ3 4.26Å
247D97.9Very high98Very high22 Ų2211 Ų1112%0.1187%0.074CC..Hα-helixtrans-17.4-80.8173.544.929.6000116.9I242 G243 G244 Y249 F250 E251 F307I242-D247 VanDerWaalsContact O-CA 3.27Å; I242-D247 WeakPolarHBondContact O-CA 3.32Å; I242-D247 WeakPolarHBondContact O-CB 3.45Å; G243-D247 PolarHBondContact O-N 3.42Å; G244-D247 WeakPolarHBondContact CA-OD2 3.49Å; D247-Y249 PolarHBondContact O-N 3.31Å; D247-Y249 VanDerWaalsContact O-N 3.1Å; D247-F250 PolarHBondContact O-N 3.12Å; D247-E251 PolarHBondContact O-N 3.32Å; D247-F307 HydrophobicContact CB-CE1 3.99Å; D247-F307 HydrophobicContact CB-CZ 4.03Å
248S98.4Very high97.8Very high0 Ų012.6 Ų12.60%09%0.087CC..Hα-helixtrans-66.4-16.3-169.555.60000113.1T186 V246 E251 Y252T186-S248 WeakPolarHBondContact CG2-OG 3.2Å; T186-S248 WeakPolarHBondContact OG1-CB 3.41Å; T186-S248 PolarHBondContact OG1-OG 2.93Å; V246-S248 PolarHBondContact O-N 2.97Å; S248-E251 WeakPolarHBondContact O-CB 3.49Å; S248-E251 PolarHBondContact O-N 3.31Å; S248-Y252 WeakPolarHBondContact O-CB 3.25Å; S248-Y252 VanDerWaalsContact O-CD2 3.25Å; S248-Y252 WeakPolarHBondContact O-CD2 3.45Å; S248-Y252 PolarHBondContact O-N 3.27Å
249Y98.7Very high97.7Very high0 Ų010.6 Ų10.60%07%0.074CC..Hα-helixtrans-61.1-46.3169.4168.2-130.6000110.9T181 T186 L211 L214 V224 V246 D247 L253 Y272T181-Y249 HydrophobicContact CG2-CD1 3.56Å; T181-Y249 HydrophobicContact CG2-CE1 4.21Å; T181-Y249 HydrophobicContact CG2-CG 3.97Å; T186-Y249 PolarHBondContact OG1-N 3.23Å; L211-Y249 HydrophobicContact CD2-CD2 3.78Å; L211-Y249 HydrophobicContact CD2-CE2 3.5Å; L211-Y249 VanDerWaalsContact CD2-CE2 3.5Å; L214-Y249 HydrophobicContact CB-CE2 4.43Å; L214-Y249 HydrophobicContact CD1-CD2 3.96Å; L214-Y249 HydrophobicContact CD1-CE2 3.79Å; L214-Y249 HydrophobicContact CD1-CG 4.38Å; V224-Y249 HydrophobicContact CG2-CE1 4.41Å; V246-Y249 VanDerWaalsContact O-CB 3.26Å; V246-Y249 WeakPolarHBondContact O-CB 3.29Å; V246-Y249 PolarHBondContact O-N 2.93Å; V246-Y249 VanDerWaalsContact O-N 3.12Å; D247-Y249 PolarHBondContact O-N 3.31Å; D247-Y249 VanDerWaalsContact O-N 3.1Å; Y249-L253 HydrophobicContact CD2-CG 4.48Å; Y249-L253 HydrophobicContact CE2-CD1 4.11Å; Y249-L253 HydrophobicContact CE2-CD2 4.19Å; Y249-L253 HydrophobicContact CE2-CG 4.19Å; Y249-L253 WeakPolarHBondContact O-CG 3.46Å; Y249-L253 PolarHBondContact O-N 3.19Å; Y249-Y272 HydrophobicContact CE1-CE1 4.48Å; Y249-Y272 AromaticContact CE1-CE2 3.77Å; Y249-Y272 HydrophobicContact CE1-CE2 3.77Å; Y249-Y272 AromaticContact CE1-CZ 3.71Å; Y249-Y272 AromaticContact CZ-CE2 3.72Å; Y249-Y272 AromaticContact CZ-CZ 3.94Å; Y249-Y272 WeakPolarHBondContact OH-CE2 3.48Å; Y249-Y272 PolarHBondContact OH-OH 2.82Å
250F98.7Very high97.5Very high2 Ų29.2 Ų9.21%0.0097%0.065CC..Hα-helixtrans-69.9-38.3178.4-59.5-53.1000111.7V224 I242 V246 D247 Y252 L253 L254 F269 Y272 I276 W308V224-F250 HydrophobicContact CG2-CZ 4.06Å; I242-F250 HydrophobicContact CG2-CD2 4.27Å; I242-F250 HydrophobicContact CG2-CE2 4.19Å; V246-F250 HydrophobicContact CG1-CD2 4.27Å; V246-F250 HydrophobicContact CG1-CE2 3.45Å; V246-F250 VanDerWaalsContact CG1-CE2 3.45Å; V246-F250 HydrophobicContact CG1-CZ 3.73Å; D247-F250 PolarHBondContact O-N 3.12Å; F250-Y252 VanDerWaalsContact C-N 3.34Å; F250-Y252 PolarHBondContact O-N 3.19Å; F250-L253 PolarHBondContact O-N 3.25Å; F250-L254 PolarHBondContact O-N 3.06Å; F250-F269 WeakPolarHBondContact O-CD2 3.46Å; F250-Y272 HydrophobicContact CD1-CD1 4.48Å; F250-Y272 HydrophobicContact CD1-CD2 4.13Å; F250-Y272 AromaticContact CD1-CG 3.94Å; F250-Y272 HydrophobicContact CD1-CG 3.94Å; F250-Y272 AromaticContact CE1-CD1 3.63Å; F250-Y272 HydrophobicContact CE1-CD1 3.63Å; F250-Y272 AromaticContact CE1-CD2 3.99Å; F250-Y272 HydrophobicContact CE1-CD2 3.99Å; F250-Y272 HydrophobicContact CE1-CE1 4.13Å; F250-Y272 HydrophobicContact CE1-CE2 4.46Å; F250-Y272 AromaticContact CE1-CG 3.54Å; F250-Y272 HydrophobicContact CE1-CG 3.54Å; F250-Y272 HydrophobicContact CZ-CD1 4.43Å; F250-I276 HydrophobicContact CD1-CD1 4.21Å; F250-I276 HydrophobicContact CD2-CD1 4.05Å; F250-I276 HydrophobicContact CE1-CD1 4.01Å; F250-I276 HydrophobicContact CE2-CD1 3.81Å; F250-I276 HydrophobicContact CG-CD1 4.24Å; F250-I276 HydrophobicContact CZ-CD1 3.8Å; F250-W308 HydrophobicContact CB-CZ3 3.96Å; F250-W308 HydrophobicContact CG-CZ3 4.46Å
251E98.7Very high97.3Very high2 Ų212.3 Ų12.31%0.00910%0.098CC..Hα-helixtrans-55.9-49.3175.1-165.7-162.7146.900111.5D247 S248 L253 L254 K255 F307 L311 T464D247-E251 PolarHBondContact O-N 3.32Å; S248-E251 WeakPolarHBondContact O-CB 3.49Å; S248-E251 PolarHBondContact O-N 3.31Å; E251-L253 VanDerWaalsContact C-N 3.28Å; E251-L253 PolarHBondContact O-N 2.93Å; E251-L254 PolarHBondContact O-N 3.17Å; E251-L254 VanDerWaalsContact O-N 3.12Å; E251-K255 HydrophobicContact CG-CD 3.71Å; E251-K255 HydrophobicContact CG-CG 4.07Å; E251-K255 WeakPolarHBondContact O-CB 3.47Å; E251-K255 WeakPolarHBondContact O-CG 3.38Å; E251-K255 PolarHBondContact O-N 3.29Å; E251-K255 VanDerWaalsContact OE1-CD 3.3Å; E251-K255 WeakPolarHBondContact OE1-CD 3.02Å; E251-K255 WeakPolarHBondContact OE1-CE 3.11Å; E251-K255 IonicContact OE1-NZ 3.81Å; E251-K255 PolarHBondContact OE1-NZ 3.33Å; E251-F307 HydrophobicContact CB-CD2 4.41Å; E251-F307 HydrophobicContact CB-CE2 4.03Å; E251-F307 HydrophobicContact CG-CD2 4.44Å; E251-L311 HydrophobicContact CB-CD1 4.29Å; E251-L311 HydrophobicContact CB-CD2 4.4Å; E251-L311 HydrophobicContact CG-CD1 3.88Å; E251-T464 WeakPolarHBondContact OE1-CA 3.39Å; E251-T464 PolarHBondContact OE1-N 3.03Å; E251-T464 VanDerWaalsContact OE2-CB 3.25Å; E251-T464 WeakPolarHBondContact OE2-CB 3.5Å; E251-T464 PolarHBondContact OE2-OG1 3.32Å
252Y98.7Very high97.2Very high0 Ų013.7 Ų13.70%011%0.108CC..Hα-helixtrans-70.7-22.9-175.6-84.8-137.4000113I109 T186 L189 E190 S248 F250 G256 T464I109-Y252 VanDerWaalsContact CG2-OH 3.28Å; I109-Y252 WeakPolarHBondContact CG2-OH 3.26Å; T186-Y252 VanDerWaalsContact C-CE1 3.47Å; T186-Y252 HydrophobicContact CG2-CD1 3.87Å; T186-Y252 HydrophobicContact CG2-CD2 3.88Å; T186-Y252 HydrophobicContact CG2-CE1 3.43Å; T186-Y252 VanDerWaalsContact CG2-CE1 3.43Å; T186-Y252 HydrophobicContact CG2-CE2 3.47Å; T186-Y252 VanDerWaalsContact CG2-CE2 3.47Å; T186-Y252 HydrophobicContact CG2-CG 4.08Å; T186-Y252 WeakPolarHBondContact CG2-OH 3.22Å; L189-Y252 HydrophobicContact CB-CD1 4.16Å; L189-Y252 HydrophobicContact CB-CE1 3.78Å; L189-Y252 HydrophobicContact CD1-CD1 4.17Å; L189-Y252 HydrophobicContact CD1-CD2 3.83Å; L189-Y252 HydrophobicContact CD1-CE1 4Å; L189-Y252 HydrophobicContact CD1-CE2 3.63Å; L189-Y252 HydrophobicContact CD1-CG 4.11Å; L189-Y252 HydrophobicContact CG-CD1 3.74Å; L189-Y252 HydrophobicContact CG-CD2 4.26Å; L189-Y252 HydrophobicContact CG-CE1 3.76Å; L189-Y252 HydrophobicContact CG-CE2 4.27Å; L189-Y252 HydrophobicContact CG-CG 4.01Å; E190-Y252 PolarHBondContact OE1-OH 3.39Å; E190-Y252 WeakPolarHBondContact OE2-CE1 3.21Å; E190-Y252 PolarHBondContact OE2-OH 3.05Å; S248-Y252 WeakPolarHBondContact O-CB 3.25Å; S248-Y252 VanDerWaalsContact O-CD2 3.25Å; S248-Y252 WeakPolarHBondContact O-CD2 3.45Å; S248-Y252 PolarHBondContact O-N 3.27Å; F250-Y252 VanDerWaalsContact C-N 3.34Å; F250-Y252 PolarHBondContact O-N 3.19Å; Y252-G256 VanDerWaalsContact O-CA 3.25Å; Y252-G256 WeakPolarHBondContact O-CA 3.3Å; Y252-G256 PolarHBondContact O-N 3.4Å; Y252-T464 HydrophobicContact CE2-CG2 4.05Å
253L98.8Very high97.1Very high1 Ų122.1 Ų22.11%0.00514%0.139CC..Hα-helixtrans-65.4-47.4169.4-66.2174.9000111L211 Y249 F250 E251 S257 L265 H268 F269 Y272L211-L253 HydrophobicContact CD2-CD2 4.21Å; Y249-L253 HydrophobicContact CD2-CG 4.48Å; Y249-L253 HydrophobicContact CE2-CD1 4.11Å; Y249-L253 HydrophobicContact CE2-CD2 4.19Å; Y249-L253 HydrophobicContact CE2-CG 4.19Å; Y249-L253 WeakPolarHBondContact O-CG 3.46Å; Y249-L253 PolarHBondContact O-N 3.19Å; F250-L253 PolarHBondContact O-N 3.25Å; E251-L253 VanDerWaalsContact C-N 3.28Å; E251-L253 PolarHBondContact O-N 2.93Å; L253-S257 WeakPolarHBondContact O-CB 3.45Å; L253-S257 PolarHBondContact O-N 2.85Å; L253-S257 VanDerWaalsContact O-N 3.16Å; L253-L265 HydrophobicContact CD2-CD2 3.9Å; L253-L265 VanDerWaalsContact O-CB 3.23Å; L253-L265 WeakPolarHBondContact O-CB 3.4Å; L253-H268 HydrophobicContact CD1-CB 4.1Å; L253-H268 HydrophobicContact CD2-CB 4.13Å; L253-F269 HydrophobicContact CB-CB 3.93Å; L253-F269 HydrophobicContact CB-CD2 4.42Å; L253-Y272 HydrophobicContact CD1-CD2 3.56Å; L253-Y272 HydrophobicContact CD1-CE2 3.8Å
254L98.7Very high97.2Very high12 Ų1225 Ų256%0.06315%0.152CC..Hα-helixtrans-74.1-53.5-179.9-179.462.8000111.5F250 E251 G256 S257 A258 I266 F269 L311 L314 F315F250-L254 PolarHBondContact O-N 3.06Å; E251-L254 PolarHBondContact O-N 3.17Å; E251-L254 VanDerWaalsContact O-N 3.12Å; L254-G256 VanDerWaalsContact C-N 3.3Å; L254-G256 PolarHBondContact O-N 3.35Å; L254-S257 WeakPolarHBondContact O-CA 3.35Å; L254-S257 WeakPolarHBondContact O-CB 3.35Å; L254-S257 PolarHBondContact O-N 3.49Å; L254-A258 PolarHBondContact O-N 3.14Å; L254-I266 HydrophobicContact CD1-CD1 3.66Å; L254-F269 HydrophobicContact CB-CD1 4.21Å; L254-F269 HydrophobicContact CB-CD2 3.91Å; L254-F269 HydrophobicContact CB-CE1 4.38Å; L254-F269 HydrophobicContact CB-CE2 4.1Å; L254-F269 HydrophobicContact CB-CG 3.97Å; L254-F269 HydrophobicContact CB-CZ 4.33Å; L254-F269 HydrophobicContact CD1-CD1 4.08Å; L254-F269 HydrophobicContact CD1-CE1 4.29Å; L254-F269 HydrophobicContact CD2-CE1 4.06Å; L254-F269 HydrophobicContact CD2-CZ 4.05Å; L254-F269 HydrophobicContact CG-CE1 4.49Å; L254-L311 HydrophobicContact CB-CD1 4.04Å; L254-L311 HydrophobicContact CB-CG 4.49Å; L254-L311 HydrophobicContact CD2-CD1 3.66Å; L254-L311 HydrophobicContact CD2-CG 3.78Å; L254-L311 WeakPolarHBondContact CD2-O 3.2Å; L254-L311 HydrophobicContact CG-CD1 4.33Å; L254-L314 HydrophobicContact CD2-CB 3.89Å; L254-F315 HydrophobicContact CD1-CB 4.33Å; L254-F315 HydrophobicContact CD1-CD2 4.06Å; L254-F315 HydrophobicContact CD2-CB 3.72Å
255K98.4Very high97.3Very high4 Ų424.1 Ų24.12%0.01714%0.143CC..Hα-helixtrans-61.9-39-178.5-67.4-163-178.1174.60111.1L189 E251 S257 A258 L259 L311 L314 E364 I461 F462L189-K255 HydrophobicContact CD1-CB 4.02Å; L189-K255 HydrophobicContact CD2-CB 4.21Å; E251-K255 HydrophobicContact CG-CD 3.71Å; E251-K255 HydrophobicContact CG-CG 4.07Å; E251-K255 WeakPolarHBondContact O-CB 3.47Å; E251-K255 WeakPolarHBondContact O-CG 3.38Å; E251-K255 PolarHBondContact O-N 3.29Å; E251-K255 VanDerWaalsContact OE1-CD 3.3Å; E251-K255 WeakPolarHBondContact OE1-CD 3.02Å; E251-K255 WeakPolarHBondContact OE1-CE 3.11Å; E251-K255 IonicContact OE1-NZ 3.81Å; E251-K255 PolarHBondContact OE1-NZ 3.33Å; K255-S257 VanDerWaalsContact C-N 3.34Å; K255-S257 PolarHBondContact O-N 3.02Å; K255-A258 PolarHBondContact O-N 3.12Å; K255-L259 WeakPolarHBondContact O-CB 3.35Å; K255-L259 PolarHBondContact O-N 3.29Å; K255-L311 HydrophobicContact CG-CD1 4.3Å; K255-L314 HydrophobicContact CG-CD1 4.34Å; K255-E364 IonicContact NZ-OE1 3.34Å; K255-E364 PolarHBondContact NZ-OE1 3.48Å; K255-I461 HydrophobicContact CB-CG2 3.73Å; K255-I461 HydrophobicContact CD-CG2 4.14Å; K255-I461 HydrophobicContact CG-CG2 4.2Å; K255-F462 WeakPolarHBondContact CD-O 3.3Å; K255-F462 WeakPolarHBondContact CE-O 3.46Å; K255-F462 PolarHBondContact NZ-O 3.33Å
256G98.4Very high97.4Very high0 Ų024.9 Ų24.90%014%0.143CC..Hα-helixtrans-67.1-33.6174.200000112.8Y252 L254 F260 L265Y252-G256 VanDerWaalsContact O-CA 3.25Å; Y252-G256 WeakPolarHBondContact O-CA 3.3Å; Y252-G256 PolarHBondContact O-N 3.4Å; L254-G256 VanDerWaalsContact C-N 3.3Å; L254-G256 PolarHBondContact O-N 3.35Å; G256-F260 WeakPolarHBondContact O-CB 3.4Å; G256-F260 VanDerWaalsContact O-CD2 3.31Å; G256-F260 WeakPolarHBondContact O-CD2 3.33Å; G256-F260 PolarHBondContact O-N 3.38Å; G256-L265 VanDerWaalsContact C-CD1 3.4Å
257S97.7Very high97.4Very high17 Ų1728 Ų2812%0.11916%0.159CC..Hα-helixtrans-65.6-41.2171.9-174.40000111.9L253 L254 K255 G261 S262 I266L253-S257 WeakPolarHBondContact O-CB 3.45Å; L253-S257 PolarHBondContact O-N 2.85Å; L253-S257 VanDerWaalsContact O-N 3.16Å; L254-S257 WeakPolarHBondContact O-CA 3.35Å; L254-S257 WeakPolarHBondContact O-CB 3.35Å; L254-S257 PolarHBondContact O-N 3.49Å; K255-S257 VanDerWaalsContact C-N 3.34Å; K255-S257 PolarHBondContact O-N 3.02Å; S257-G261 VanDerWaalsContact O-CA 3.22Å; S257-G261 WeakPolarHBondContact O-CA 3.04Å; S257-G261 PolarHBondContact O-N 3.25Å; S257-S262 PolarHBondContact O-N 2.88Å; S257-S262 PolarHBondContact OG-O 3.38Å; S257-S262 VanDerWaalsContact OG-O 3.11Å; S257-I266 WeakPolarHBondContact OG-CB 3.31Å
258A94.3Very high97.5Very high60 Ų6027.7 Ų27.750%0.49616%0.157SC..Hα-helixtrans-66.1-43.4178.100000111.1L254 K255 I461L254-A258 PolarHBondContact O-N 3.14Å; K255-A258 PolarHBondContact O-N 3.12Å; A258-I461 HydrophobicContact CB-CD1 3.73Å; A258-I461 HydrophobicContact CB-CG1 4.38Å
259L95.3Very high97.5Very high8 Ų827.7 Ų27.74%0.04216%0.158CC..Hα-helixtrans-70.1-40.5-178-172.362000113.3L189 K255 I461 L469 A471L189-L259 HydrophobicContact CD2-CB 4.33Å; L189-L259 HydrophobicContact CD2-CD2 3.81Å; K255-L259 WeakPolarHBondContact O-CB 3.35Å; K255-L259 PolarHBondContact O-N 3.29Å; L259-I461 HydrophobicContact CB-CG1 4.16Å; L259-I461 HydrophobicContact CD1-CB 4.3Å; L259-I461 HydrophobicContact CD1-CG1 4.16Å; L259-L469 HydrophobicContact CD1-CB 4.04Å; L259-L469 HydrophobicContact CD2-CB 3.89Å; L259-L469 HydrophobicContact CD2-CD1 3.69Å; L259-L469 HydrophobicContact CD2-CG 4.45Å; L259-A471 HydrophobicContact CD1-CB 4.01Å
260F95.2Very high97.4Very high29 Ų2931 Ų3113%0.12717%0.173CC..Hα-helixtrans-111.71.8-172.5-54.3-59.9000114.9L188 L189 R196 G256 S262L188-F260 HydrophobicContact CD1-CE2 4.49Å; L188-F260 HydrophobicContact CG-CD2 4.29Å; L188-F260 HydrophobicContact CG-CE2 4Å; L188-F260 VanDerWaalsContact O-CE2 3.25Å; L188-F260 WeakPolarHBondContact O-CE2 3.46Å; L189-F260 HydrophobicContact CD2-CE2 4.45Å; R196-F260 HydrophobicContact CG-CD1 4.47Å; R196-F260 HydrophobicContact CG-CE1 4.23Å; G256-F260 WeakPolarHBondContact O-CB 3.4Å; G256-F260 VanDerWaalsContact O-CD2 3.31Å; G256-F260 WeakPolarHBondContact O-CD2 3.33Å; G256-F260 PolarHBondContact O-N 3.38Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 2.86Å
261G92.8Very high97.4Very high68 Ų6832.6 Ų32.670%0.70119%0.186SC*.  trans63.431-178.100000113.9S257 R263S257-G261 VanDerWaalsContact O-CA 3.22Å; S257-G261 WeakPolarHBondContact O-CA 3.04Å; S257-G261 PolarHBondContact O-N 3.25Å; G261-R263 PolarHBondContact O-N 3.31Å
262S95.5Very high97.4Very high29 Ų2932.6 Ų32.620%0.20319%0.186CC..  trans-89.3107.9-168.9-177.80000113.4S257 F260 F264 L265 I266S257-S262 PolarHBondContact O-N 2.88Å; S257-S262 PolarHBondContact OG-O 3.38Å; S257-S262 VanDerWaalsContact OG-O 3.11Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 2.86Å; S262-F264 PolarHBondContact O-N 3.07Å; S262-L265 PolarHBondContact O-N 3.15Å; S262-L265 VanDerWaalsContact O-N 3.12Å; S262-I266 PolarHBondContact O-N 2.82Å
263R96.4Very high97.4Very high176 Ų17635.2 Ų35.266%0.66420%0.196SC*.Hα-helixtrans-56.9-36.9174.6-175.161-170.3-144.414.6113.1G261 L265 I266 D267G261-R263 PolarHBondContact O-N 3.31Å; R263-L265 VanDerWaalsContact C-N 3.32Å; R263-L265 PolarHBondContact O-N 2.79Å; R263-I266 VanDerWaalsContact O-CG2 3.29Å; R263-I266 WeakPolarHBondContact O-CG2 3.25Å; R263-D267 WeakPolarHBondContact CG-OD2 3.36Å; R263-D267 IonicContact CZ-OD1 2.89Å; R263-D267 VanDerWaalsContact CZ-OD1 3.28Å; R263-D267 IonicContact CZ-OD2 3.96Å; R263-D267 VanDerWaalsContact NE-CG 3.27Å; R263-D267 IonicContact NE-OD1 3.28Å; R263-D267 PolarHBondContact NE-OD1 2.63Å; R263-D267 IonicContact NE-OD2 3.94Å; R263-D267 PolarHBondContact NE-OD2 2.84Å; R263-D267 IonicContact NH2-OD1 3.35Å; R263-D267 PolarHBondContact NH2-OD1 2.84Å; R263-D267 IonicContact NH2-OD2 2.74Å; R263-D267 WeakPolarHBondContact O-CB 3.32Å; R263-D267 VanDerWaalsContact O-CG 3.29Å; R263-D267 PolarHBondContact O-N 3.38Å; R263-D267 VanDerWaalsContact O-N 3.1Å
264F97.7Very high97.4Very high60 Ų6042 Ų4226%0.26323%0.225SC..Hα-helixtrans-55.4-47.8176.7169.2-95.6000111.2K212 S262 H268K212-F264 HydrophobicContact CG-CE1 4.33Å; K212-F264 HydrophobicContact CG-CE2 4.02Å; K212-F264 HydrophobicContact CG-CZ 3.54Å; S262-F264 PolarHBondContact O-N 3.07Å; F264-H268 AromaticContact CD2-CE1 3.39Å; F264-H268 WeakPolarHBondContact CD2-CE1 3.42Å; F264-H268 AromaticContact CD2-NE2 3.87Å; F264-H268 AromaticContact CE2-CE1 3.15Å; F264-H268 WeakPolarHBondContact CE2-CE1 3.39Å; F264-H268 AromaticContact CE2-NE2 3.13Å; F264-H268 WeakPolarHBondContact CE2-NE2 3.25Å; F264-H268 AromaticContact CZ-CD2 3.84Å; F264-H268 AromaticContact CZ-CE1 3.66Å; F264-H268 AromaticContact CZ-NE2 3.24Å; F264-H268 WeakPolarHBondContact CZ-NE2 3.16Å; F264-H268 PolarHBondContact O-N 2.8Å; F264-H268 PolarHBondContact O-ND1 3.31Å
265L98.7Very high97.4Very high1 Ų142.7 Ų42.71%0.00523%0.23CC..Hα-helixtrans-71.6-44.3-174.1-59169.8000112.3L188 L211 L253 G256 S262 R263 D267 H268 F269L188-L265 HydrophobicContact CD2-CD1 3.31Å; L188-L265 HydrophobicContact CD2-CD2 3.67Å; L188-L265 HydrophobicContact CD2-CG 4.1Å; L211-L265 HydrophobicContact CD1-CD2 3.86Å; L253-L265 HydrophobicContact CD2-CD2 3.9Å; L253-L265 VanDerWaalsContact O-CB 3.23Å; L253-L265 WeakPolarHBondContact O-CB 3.4Å; G256-L265 VanDerWaalsContact C-CD1 3.4Å; S262-L265 PolarHBondContact O-N 3.15Å; S262-L265 VanDerWaalsContact O-N 3.12Å; R263-L265 VanDerWaalsContact C-N 3.32Å; R263-L265 PolarHBondContact O-N 2.79Å; L265-D267 VanDerWaalsContact C-N 3.35Å; L265-D267 PolarHBondContact O-N 3.19Å; L265-H268 WeakPolarHBondContact O-CB 3.48Å; L265-H268 PolarHBondContact O-N 2.93Å; L265-H268 VanDerWaalsContact O-N 3.16Å; L265-F269 PolarHBondContact O-N 3.18Å
266I98.3Very high97.4Very high31 Ų3142.6 Ų42.616%0.15923%0.23CC..Hα-helixtrans-65-37.9178.7-170.254.5000112.1L254 S257 S262 R263 H268 F269 H270 F315L254-I266 HydrophobicContact CD1-CD1 3.66Å; S257-I266 WeakPolarHBondContact OG-CB 3.31Å; S262-I266 PolarHBondContact O-N 2.82Å; R263-I266 VanDerWaalsContact O-CG2 3.29Å; R263-I266 WeakPolarHBondContact O-CG2 3.25Å; I266-H268 VanDerWaalsContact C-N 3.27Å; I266-H268 PolarHBondContact O-N 3.2Å; I266-F269 HydrophobicContact CD1-CD1 4.33Å; I266-F269 PolarHBondContact O-N 2.72Å; I266-H270 WeakPolarHBondContact O-CB 3.19Å; I266-H270 PolarHBondContact O-CD2 3.33Å; I266-H270 PolarHBondContact O-N 3.28Å; I266-F315 HydrophobicContact CD1-CD2 4.12Å; I266-F315 HydrophobicContact CD1-CE2 4.08Å
267D98.5Very high97.4Very high65 Ų6545.7 Ų45.735%0.34825%0.246SC..Hα-helixtrans-63.7-36175.6-73.5-26.9000111.2R263 L265 A271R263-D267 WeakPolarHBondContact CG-OD2 3.36Å; R263-D267 IonicContact CZ-OD1 2.89Å; R263-D267 VanDerWaalsContact CZ-OD1 3.28Å; R263-D267 IonicContact CZ-OD2 3.96Å; R263-D267 VanDerWaalsContact NE-CG 3.27Å; R263-D267 IonicContact NE-OD1 3.28Å; R263-D267 PolarHBondContact NE-OD1 2.63Å; R263-D267 IonicContact NE-OD2 3.94Å; R263-D267 PolarHBondContact NE-OD2 2.84Å; R263-D267 IonicContact NH2-OD1 3.35Å; R263-D267 PolarHBondContact NH2-OD1 2.84Å; R263-D267 IonicContact NH2-OD2 2.74Å; R263-D267 WeakPolarHBondContact O-CB 3.32Å; R263-D267 VanDerWaalsContact O-CG 3.29Å; R263-D267 PolarHBondContact O-N 3.38Å; R263-D267 VanDerWaalsContact O-N 3.1Å; L265-D267 VanDerWaalsContact C-N 3.35Å; L265-D267 PolarHBondContact O-N 3.19Å; D267-A271 WeakPolarHBondContact O-CB 3.06Å; D267-A271 PolarHBondContact O-N 3.29Å; D267-A271 VanDerWaalsContact O-N 3.1Å
268H98.6Very high97.4Very high16 Ų1653.8 Ų53.87%0.07427%0.274CS..Hα-helixtrans-69.9-45.3175.5-71.444.5000111.1W215 L253 F264 L265 I266 H270 A271 Y272W215-H268 AromaticContact CD1-NE2 3.35Å; W215-H268 VanDerWaalsContact CD1-NE2 3.35Å; W215-H268 AromaticContact CD2-CD2 3.05Å; W215-H268 AromaticContact CD2-CE1 4Å; W215-H268 AromaticContact CD2-CG 3.9Å; W215-H268 AromaticContact CD2-NE2 3.13Å; W215-H268 AromaticContact CE2-CD2 3.72Å; W215-H268 AromaticContact CE2-CE1 3.89Å; W215-H268 AromaticContact CE2-NE2 3.43Å; W215-H268 HydrophobicContact CE3-CB 4.15Å; W215-H268 AromaticContact CE3-CD2 3.15Å; W215-H268 AromaticContact CE3-CG 3.73Å; W215-H268 AromaticContact CE3-NE2 3.78Å; W215-H268 AromaticContact CG-CD2 3.35Å; W215-H268 AromaticContact CG-NE2 3.1Å; W215-H268 HydrophobicContact CZ3-CB 4.12Å; W215-H268 AromaticContact CZ3-CD2 3.87Å; W215-H268 AromaticContact CZ3-CG 3.99Å; W215-H268 AromaticContact NE1-NE2 3.51Å; L253-H268 HydrophobicContact CD1-CB 4.1Å; L253-H268 HydrophobicContact CD2-CB 4.13Å; F264-H268 AromaticContact CD2-CE1 3.39Å; F264-H268 WeakPolarHBondContact CD2-CE1 3.42Å; F264-H268 AromaticContact CD2-NE2 3.87Å; F264-H268 AromaticContact CE2-CE1 3.15Å; F264-H268 WeakPolarHBondContact CE2-CE1 3.39Å; F264-H268 AromaticContact CE2-NE2 3.13Å; F264-H268 WeakPolarHBondContact CE2-NE2 3.25Å; F264-H268 AromaticContact CZ-CD2 3.84Å; F264-H268 AromaticContact CZ-CE1 3.66Å; F264-H268 AromaticContact CZ-NE2 3.24Å; F264-H268 WeakPolarHBondContact CZ-NE2 3.16Å; F264-H268 PolarHBondContact O-N 2.8Å; F264-H268 PolarHBondContact O-ND1 3.31Å; L265-H268 WeakPolarHBondContact O-CB 3.48Å; L265-H268 PolarHBondContact O-N 2.93Å; L265-H268 VanDerWaalsContact O-N 3.16Å; I266-H268 VanDerWaalsContact C-N 3.27Å; I266-H268 PolarHBondContact O-N 3.2Å; H268-H270 PolarHBondContact O-N 3.11Å; H268-A271 WeakPolarHBondContact O-CB 3.37Å; H268-A271 PolarHBondContact O-N 3.08Å; H268-Y272 WeakPolarHBondContact O-CD2 3.39Å; H268-Y272 PolarHBondContact O-N 3.19Å
269F98.7Very high97.6Very high1 Ų153.7 Ų53.70%0.00426%0.262CS..Hα-helixtrans-58.2-47175.1-179.1-101000111.6F250 L253 L254 L265 I266 A271 Y272 R273 W308 L311 F315F250-F269 WeakPolarHBondContact O-CD2 3.46Å; L253-F269 HydrophobicContact CB-CB 3.93Å; L253-F269 HydrophobicContact CB-CD2 4.42Å; L254-F269 HydrophobicContact CB-CD1 4.21Å; L254-F269 HydrophobicContact CB-CD2 3.91Å; L254-F269 HydrophobicContact CB-CE1 4.38Å; L254-F269 HydrophobicContact CB-CE2 4.1Å; L254-F269 HydrophobicContact CB-CG 3.97Å; L254-F269 HydrophobicContact CB-CZ 4.33Å; L254-F269 HydrophobicContact CD1-CD1 4.08Å; L254-F269 HydrophobicContact CD1-CE1 4.29Å; L254-F269 HydrophobicContact CD2-CE1 4.06Å; L254-F269 HydrophobicContact CD2-CZ 4.05Å; L254-F269 HydrophobicContact CG-CE1 4.49Å; L265-F269 PolarHBondContact O-N 3.18Å; I266-F269 HydrophobicContact CD1-CD1 4.33Å; I266-F269 PolarHBondContact O-N 2.72Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 3.37Å; F269-Y272 PolarHBondContact O-N 3.22Å; F269-R273 HydrophobicContact CE1-CB 4.45Å; F269-R273 WeakPolarHBondContact O-CB 3.48Å; F269-R273 PolarHBondContact O-N 3.41Å; F269-W308 HydrophobicContact CE2-CH2 4.06Å; F269-W308 HydrophobicContact CE2-CZ3 4.21Å; F269-W308 HydrophobicContact CZ-CH2 4.26Å; F269-L311 HydrophobicContact CE2-CD2 3.56Å; F269-L311 HydrophobicContact CE2-CG 4.14Å; F269-L311 HydrophobicContact CZ-CD2 4.01Å; F269-L311 HydrophobicContact CZ-CG 4.16Å; F269-F315 AromaticContact CD1-CD2 3.74Å; F269-F315 HydrophobicContact CD1-CD2 3.74Å; F269-F315 HydrophobicContact CD1-CE2 4.04Å; F269-F315 HydrophobicContact CD1-CG 4.38Å; F269-F315 HydrophobicContact CE1-CB 3.93Å; F269-F315 HydrophobicContact CE1-CD1 4.4Å; F269-F315 AromaticContact CE1-CD2 3.5Å; F269-F315 HydrophobicContact CE1-CD2 3.5Å; F269-F315 VanDerWaalsContact CE1-CD2 3.5Å; F269-F315 HydrophobicContact CE1-CE2 4.07Å; F269-F315 AromaticContact CE1-CG 3.67Å; F269-F315 HydrophobicContact CE1-CG 3.67Å
270H98.2Very high97.7Very high70 Ų7053.4 Ų53.432%0.32426%0.26SS..Hα-helixtrans-56.1-42.9175.2-89.4-77.2000112.5I266 H268 K274 F315I266-H270 WeakPolarHBondContact O-CB 3.19Å; I266-H270 PolarHBondContact O-CD2 3.33Å; I266-H270 PolarHBondContact O-N 3.28Å; H268-H270 PolarHBondContact O-N 3.11Å; H270-K274 WeakPolarHBondContact O-CG 3.37Å; H270-K274 PolarHBondContact O-N 3.42Å; H270-F315 AromaticContact CE1-CE2 3.26Å; H270-F315 WeakPolarHBondContact CE1-CE2 3.46Å; H270-F315 AromaticContact CE1-CZ 3.14Å; H270-F315 WeakPolarHBondContact CE1-CZ 3.42Å; H270-F315 AromaticContact ND1-CE2 3.57Å; H270-F315 AromaticContact ND1-CZ 3.32Å; H270-F315 VanDerWaalsContact ND1-CZ 3.32Å; H270-F315 WeakPolarHBondContact ND1-CZ 3.27Å; H270-F315 AromaticContact NE2-CE2 3.54Å; H270-F315 AromaticContact NE2-CZ 3.91Å
271A98.5Very high97.9Very high34 Ų3454.7 Ų54.728%0.28127%0.266SS..Hα-helixtrans-65.3-45.3178.300000111.5W215 D267 H268 F269 K274 V275W215-A271 HydrophobicContact CH2-CB 3.62Å; W215-A271 HydrophobicContact CZ3-CB 4.13Å; D267-A271 WeakPolarHBondContact O-CB 3.06Å; D267-A271 PolarHBondContact O-N 3.29Å; D267-A271 VanDerWaalsContact O-N 3.1Å; H268-A271 WeakPolarHBondContact O-CB 3.37Å; H268-A271 PolarHBondContact O-N 3.08Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 3.37Å; A271-K274 PolarHBondContact O-N 3.19Å; A271-V275 PolarHBondContact O-N 2.59Å
272Y98.6Very high98Very high2 Ų257.3 Ų57.31%0.00826%0.259CS..Hα-helixtrans-64.8-46.1177-76.7-61.2000112.6W215 K218 G222 V224 Y249 F250 L253 H268 F269 K274 V275 I276W215-Y272 AromaticContact CE3-CE2 3.66Å; W215-Y272 HydrophobicContact CE3-CE2 3.66Å; W215-Y272 AromaticContact CE3-CZ 3.85Å; W215-Y272 HydrophobicContact CZ3-CD2 4.14Å; W215-Y272 AromaticContact CZ3-CE2 3.67Å; W215-Y272 HydrophobicContact CZ3-CE2 3.67Å; W215-Y272 AromaticContact CZ3-CZ 3.95Å; K218-Y272 HydrophobicContact CD-CD1 4.4Å; K218-Y272 HydrophobicContact CD-CE1 3.42Å; K218-Y272 VanDerWaalsContact CD-CE1 3.42Å; K218-Y272 HydrophobicContact CD-CE2 4.43Å; K218-Y272 VanDerWaalsContact CD-CZ 3.46Å; K218-Y272 VanDerWaalsContact CD-OH 3.26Å; K218-Y272 WeakPolarHBondContact CD-OH 3.41Å; K218-Y272 HydrophobicContact CG-CE1 3.93Å; K218-Y272 VanDerWaalsContact CG-OH 3.24Å; K218-Y272 WeakPolarHBondContact CG-OH 3.49Å; G222-Y272 WeakPolarHBondContact O-CE1 3.47Å; V224-Y272 HydrophobicContact CG1-CE1 3.98Å; V224-Y272 WeakPolarHBondContact CG1-OH 3.21Å; Y249-Y272 HydrophobicContact CE1-CE1 4.48Å; Y249-Y272 AromaticContact CE1-CE2 3.77Å; Y249-Y272 HydrophobicContact CE1-CE2 3.77Å; Y249-Y272 AromaticContact CE1-CZ 3.71Å; Y249-Y272 AromaticContact CZ-CE2 3.72Å; Y249-Y272 AromaticContact CZ-CZ 3.94Å; Y249-Y272 WeakPolarHBondContact OH-CE2 3.48Å; Y249-Y272 PolarHBondContact OH-OH 2.82Å; F250-Y272 HydrophobicContact CD1-CD1 4.48Å; F250-Y272 HydrophobicContact CD1-CD2 4.13Å; F250-Y272 AromaticContact CD1-CG 3.94Å; F250-Y272 HydrophobicContact CD1-CG 3.94Å; F250-Y272 AromaticContact CE1-CD1 3.63Å; F250-Y272 HydrophobicContact CE1-CD1 3.63Å; F250-Y272 AromaticContact CE1-CD2 3.99Å; F250-Y272 HydrophobicContact CE1-CD2 3.99Å; F250-Y272 HydrophobicContact CE1-CE1 4.13Å; F250-Y272 HydrophobicContact CE1-CE2 4.46Å; F250-Y272 AromaticContact CE1-CG 3.54Å; F250-Y272 HydrophobicContact CE1-CG 3.54Å; F250-Y272 HydrophobicContact CZ-CD1 4.43Å; L253-Y272 HydrophobicContact CD1-CD2 3.56Å; L253-Y272 HydrophobicContact CD1-CE2 3.8Å; H268-Y272 WeakPolarHBondContact O-CD2 3.39Å; H268-Y272 PolarHBondContact O-N 3.19Å; F269-Y272 PolarHBondContact O-N 3.22Å; Y272-K274 PolarHBondContact O-N 3.3Å; Y272-V275 HydrophobicContact CD1-CG2 4.31Å; Y272-V275 WeakPolarHBondContact O-CG2 3.34Å; Y272-V275 PolarHBondContact O-N 2.86Å; Y272-V275 VanDerWaalsContact O-N 3.08Å; Y272-I276 WeakPolarHBondContact O-CB 3.27Å; Y272-I276 VanDerWaalsContact O-CG1 3.25Å; Y272-I276 WeakPolarHBondContact O-CG1 3.32Å; Y272-I276 PolarHBondContact O-N 2.81Å
273R98.2Very high98Very high55 Ų5561.6 Ų61.621%0.20828%0.28CS..Hα-helixtrans-54.1-42175.8179.4177.6161.2-84.1-4.2111.5F269 N277 D317F269-R273 HydrophobicContact CE1-CB 4.45Å; F269-R273 WeakPolarHBondContact O-CB 3.48Å; F269-R273 PolarHBondContact O-N 3.41Å; R273-N277 WeakPolarHBondContact O-CB 3.27Å; R273-N277 PolarHBondContact O-N 3.12Å; R273-D317 IonicContact CZ-OD2 2.86Å; R273-D317 IonicContact NE-OD2 3.51Å; R273-D317 PolarHBondContact NE-OD2 3.05Å; R273-D317 IonicContact NH2-OD2 3.78Å; R273-D317 PolarHBondContact NH2-OD2 3.25Å
274K98.3Very high98.1Very high143 Ų14354.4 Ų54.462%0.62226%0.255SS*.Hα-helixtrans-61.5-44.9177.5-76.2176-178.6179.60112.5H270 A271 Y272 R278H270-K274 WeakPolarHBondContact O-CG 3.37Å; H270-K274 PolarHBondContact O-N 3.42Å; A271-K274 PolarHBondContact O-N 3.19Å; Y272-K274 PolarHBondContact O-N 3.3Å; K274-R278 WeakPolarHBondContact O-CB 3.14Å; K274-R278 PolarHBondContact O-N 3.15Å
275V98.5Very high98.1Very high27 Ų2752.8 Ų52.816%0.16425%0.247CC..Hα-helixtrans-76.9-36.3-178.7-61.20000112.2I221 L223 A271 Y272 R278 Y279I221-V275 WeakPolarHBondContact O-CG1 3.5Å; L223-V275 HydrophobicContact CD2-CB 4.27Å; L223-V275 HydrophobicContact CD2-CG2 3.9Å; A271-V275 PolarHBondContact O-N 2.59Å; Y272-V275 HydrophobicContact CD1-CG2 4.31Å; Y272-V275 WeakPolarHBondContact O-CG2 3.34Å; Y272-V275 PolarHBondContact O-N 2.86Å; Y272-V275 VanDerWaalsContact O-N 3.08Å; V275-R278 PolarHBondContact O-N 3.25Å; V275-R278 VanDerWaalsContact O-N 3.16Å; V275-Y279 HydrophobicContact CB-CD2 4.19Å; V275-Y279 WeakPolarHBondContact O-CD2 3.36Å; V275-Y279 PolarHBondContact O-N 3Å
276I98.7Very high98Very high2 Ų252.8 Ų52.81%0.0125%0.247CC..Iπ-helixtrans-59.5-48.8172.4-69.5164.1000109.5I242 F250 Y272 R278 Y279 V280 K281 F286 W308I242-I276 HydrophobicContact CG2-CD1 3.9Å; I242-I276 HydrophobicContact CG2-CG1 4.29Å; I242-I276 HydrophobicContact CG2-CG2 3.73Å; F250-I276 HydrophobicContact CD1-CD1 4.21Å; F250-I276 HydrophobicContact CD2-CD1 4.05Å; F250-I276 HydrophobicContact CE1-CD1 4.01Å; F250-I276 HydrophobicContact CE2-CD1 3.81Å; F250-I276 HydrophobicContact CG-CD1 4.24Å; F250-I276 HydrophobicContact CZ-CD1 3.8Å; Y272-I276 WeakPolarHBondContact O-CB 3.27Å; Y272-I276 VanDerWaalsContact O-CG1 3.25Å; Y272-I276 WeakPolarHBondContact O-CG1 3.32Å; Y272-I276 PolarHBondContact O-N 2.81Å; I276-R278 PolarHBondContact O-N 2.86Å; I276-Y279 PolarHBondContact O-N 3.1Å; I276-V280 HydrophobicContact CB-CG2 4.46Å; I276-V280 HydrophobicContact CG1-CG2 4.49Å; I276-V280 HydrophobicContact CG2-CB 4.08Å; I276-V280 HydrophobicContact CG2-CG2 4.37Å; I276-V280 WeakPolarHBondContact O-CA 3.33Å; I276-V280 VanDerWaalsContact O-CB 3.28Å; I276-V280 WeakPolarHBondContact O-CB 3.48Å; I276-V280 PolarHBondContact O-N 3.12Å; I276-K281 PolarHBondContact O-N 3.04Å; I276-F286 HydrophobicContact CG2-CD1 3.84Å; I276-F286 HydrophobicContact CG2-CE1 3.87Å; I276-W308 HydrophobicContact CD1-CH2 3.84Å; I276-W308 HydrophobicContact CD1-CZ2 4.32Å; I276-W308 HydrophobicContact CG2-CZ2 4.16Å
277N98Very high98Very high66 Ų6651.7 Ų51.735%0.35324%0.241SC..Iπ-helixtrans-63.6-27.6178.1-169.562000113.3R273 K281R273-N277 WeakPolarHBondContact O-CB 3.27Å; R273-N277 PolarHBondContact O-N 3.12Å; N277-K281 WeakPolarHBondContact OD1-CD 3.46Å; N277-K281 WeakPolarHBondContact OD1-CE 3.42Å
278R98.2Very high98Very high186 Ų18648.8 Ų48.870%0.70223%0.226SC*.Iπ-helixtrans-83.8-41.4-179.1-179.2174.8-178.9177.71.3113.2K274 V275 I276K274-R278 WeakPolarHBondContact O-CB 3.14Å; K274-R278 PolarHBondContact O-N 3.15Å; V275-R278 PolarHBondContact O-N 3.25Å; V275-R278 VanDerWaalsContact O-N 3.16Å; I276-R278 PolarHBondContact O-N 2.86Å
279Y98.5Very high98Very high59 Ų5948.2 Ų48.223%0.23122%0.223CC..Iπ-helixtrans-111.7-31-168.7-65.3-71.7000113.6I221 V275 I276 V289I221-Y279 HydrophobicContact CB-CD2 4.47Å; I221-Y279 HydrophobicContact CB-CE2 3.85Å; I221-Y279 HydrophobicContact CD1-CD1 4.12Å; I221-Y279 HydrophobicContact CD1-CD2 4.2Å; I221-Y279 HydrophobicContact CD1-CE1 4.22Å; I221-Y279 HydrophobicContact CD1-CE2 4.32Å; I221-Y279 HydrophobicContact CD1-CG 4.1Å; I221-Y279 HydrophobicContact CG1-CE2 4.5Å; V275-Y279 HydrophobicContact CB-CD2 4.19Å; V275-Y279 WeakPolarHBondContact O-CD2 3.36Å; V275-Y279 PolarHBondContact O-N 3Å; I276-Y279 PolarHBondContact O-N 3.1Å; Y279-V289 WeakPolarHBondContact O-CG1 3.32Å
280V98.4Very high98Very high1 Ų149.5 Ų49.51%0.00623%0.232CC..Iπ-helixtrans-96.1-43.8-175.2-173.70000110.4L223 I276 H282 F286 P287 V289L223-V280 HydrophobicContact CD1-CG2 4.45Å; L223-V280 HydrophobicContact CD2-CG2 4.09Å; I276-V280 HydrophobicContact CB-CG2 4.46Å; I276-V280 HydrophobicContact CG1-CG2 4.49Å; I276-V280 HydrophobicContact CG2-CB 4.08Å; I276-V280 HydrophobicContact CG2-CG2 4.37Å; I276-V280 WeakPolarHBondContact O-CA 3.33Å; I276-V280 VanDerWaalsContact O-CB 3.28Å; I276-V280 WeakPolarHBondContact O-CB 3.48Å; I276-V280 PolarHBondContact O-N 3.12Å; V280-H282 PolarHBondContact O-N 2.9Å; V280-F286 HydrophobicContact CG1-CB 4.06Å; V280-F286 HydrophobicContact CG1-CD1 4.24Å; V280-P287 WeakPolarHBondContact CG1-O 3.41Å; V280-P287 WeakPolarHBondContact O-CD 3.4Å; V280-V289 HydrophobicContact CG2-CG2 3.96Å
281K98.1Very high98Very high57 Ų5746.2 Ų46.225%0.24822%0.217CC..  trans-66.5123.6-176.5-168179.18078.30112.2I276 N277 D284 W285 F286 L320I276-K281 PolarHBondContact O-N 3.04Å; N277-K281 WeakPolarHBondContact OD1-CD 3.46Å; N277-K281 WeakPolarHBondContact OD1-CE 3.42Å; K281-D284 WeakPolarHBondContact CD-OD1 3.49Å; K281-D284 IonicContact NZ-OD1 2.75Å; K281-D284 PolarHBondContact NZ-OD1 3.35Å; K281-W285 CarbonylContact C-O 3.59Å; K281-W285 VanDerWaalsContact CA-O 3.32Å; K281-W285 WeakPolarHBondContact CA-O 3.22Å; K281-F286 HydrophobicContact CB-CD1 4.06Å; K281-F286 HydrophobicContact CB-CE1 3.67Å; K281-F286 HydrophobicContact CB-CZ 4.18Å; K281-F286 HydrophobicContact CD-CE1 4.13Å; K281-F286 HydrophobicContact CD-CZ 3.83Å; K281-F286 HydrophobicContact CG-CD1 4.4Å; K281-F286 HydrophobicContact CG-CE1 3.83Å; K281-F286 HydrophobicContact CG-CE2 4.37Å; K281-F286 HydrophobicContact CG-CZ 3.8Å; K281-L320 HydrophobicContact CD-CD1 3.94Å
282H96.2Very high98Very high123 Ų12349.8 Ų49.857%0.56923%0.228SC*.BIsolated β-bridgetrans-134.3114.9172.8-171.977.8000110.3V280 D284 W285 P287V280-H282 PolarHBondContact O-N 2.9Å; H282-D284 PolarHBondContact O-N 2.79Å; H282-W285 PolarHBondContact N-O 3.25Å; H282-W285 WeakPolarHBondContact O-CB 3.18Å; H282-W285 PolarHBondContact O-N 2.93Å; H282-P287 HydrophobicContact CB-CG 4.45Å
283N95Very high98Very high119 Ų11952.5 Ų52.564%0.63625%0.247SC*.THydrogen-bonded Turntrans49.440.7-175.6-60.2-30.5000113.9W285 N327N283-W285 PolarHBondContact O-N 2.75Å; N283-W285 VanDerWaalsContact O-N 3.17Å; N283-N327 PolarHBondContact O-ND2 2.67Å; N283-N327 VanDerWaalsContact O-ND2 3.1Å
284D97.2Very high98Very high25 Ų2550.6 Ų50.613%0.13425%0.245CC..THydrogen-bonded Turntrans62.416.7-177.7-57.9-31.3000114.3K281 H282 L320 R323 V324 N327K281-D284 WeakPolarHBondContact CD-OD1 3.49Å; K281-D284 IonicContact NZ-OD1 2.75Å; K281-D284 PolarHBondContact NZ-OD1 3.35Å; H282-D284 PolarHBondContact O-N 2.79Å; D284-L320 WeakPolarHBondContact OD1-CD1 3.39Å; D284-R323 HydrophobicContact CB-CB 4.37Å; D284-R323 VanDerWaalsContact OD2-CB 3.28Å; D284-R323 WeakPolarHBondContact OD2-CB 3.13Å; D284-R323 WeakPolarHBondContact OD2-CD 3.37Å; D284-R323 IonicContact OD2-NE 3.67Å; D284-R323 PolarHBondContact OD2-NE 3.4Å; D284-R323 VanDerWaalsContact OD2-NE 3.14Å; D284-V324 HydrophobicContact CB-CG2 4.05Å; D284-N327 VanDerWaalsContact C-ND2 3.29Å; D284-N327 PolarHBondContact O-ND2 2.94Å; D284-N327 VanDerWaalsContact O-ND2 3.17Å
285W97.9Very high98Very high25 Ų2550.5 Ų50.510%0.09525%0.248CC..BIsolated β-bridgetrans-97160.5158-63.1100.1000110.7K281 H282 N283 P287 F301 N327 Y328 I331 L344K281-W285 CarbonylContact C-O 3.59Å; K281-W285 VanDerWaalsContact CA-O 3.32Å; K281-W285 WeakPolarHBondContact CA-O 3.22Å; H282-W285 PolarHBondContact N-O 3.25Å; H282-W285 WeakPolarHBondContact O-CB 3.18Å; H282-W285 PolarHBondContact O-N 2.93Å; N283-W285 PolarHBondContact O-N 2.75Å; N283-W285 VanDerWaalsContact O-N 3.17Å; W285-P287 VanDerWaalsContact C-CD 3.48Å; W285-P287 WeakPolarHBondContact O-CD 3.43Å; W285-F301 HydrophobicContact CE3-CB 3.92Å; W285-F301 HydrophobicContact CE3-CD2 4.2Å; W285-F301 HydrophobicContact CE3-CG 4.14Å; W285-F301 HydrophobicContact CZ3-CB 3.89Å; W285-F301 HydrophobicContact CZ3-CD1 4.25Å; W285-F301 HydrophobicContact CZ3-CD2 4.04Å; W285-F301 AromaticContact CZ3-CG 3.79Å; W285-F301 HydrophobicContact CZ3-CG 3.79Å; W285-N327 HydrophobicContact CD2-CB 4.16Å; W285-N327 HydrophobicContact CE3-CB 4.35Å; W285-N327 HydrophobicContact CH2-CB 3.71Å; W285-N327 WeakPolarHBondContact CH2-O 3.41Å; W285-N327 HydrophobicContact CZ2-CB 3.46Å; W285-N327 VanDerWaalsContact CZ2-CB 3.46Å; W285-N327 HydrophobicContact CZ3-CB 4.15Å; W285-N327 PolarHBondContact NE1-ND2 2.68Å; W285-Y328 HydrophobicContact CE3-CD1 4.45Å; W285-Y328 HydrophobicContact CE3-CE1 4.02Å; W285-Y328 HydrophobicContact CH2-CD1 4.22Å; W285-Y328 AromaticContact CZ3-CD1 3.69Å; W285-Y328 HydrophobicContact CZ3-CD1 3.69Å; W285-Y328 AromaticContact CZ3-CE1 3.67Å; W285-Y328 HydrophobicContact CZ3-CE1 3.67Å; W285-I331 HydrophobicContact CH2-CD1 3.7Å; W285-I331 HydrophobicContact CH2-CG1 4.08Å; W285-I331 HydrophobicContact CZ3-CD1 3.95Å; W285-L344 HydrophobicContact CB-CD1 3.91Å; W285-L344 HydrophobicContact CB-CD2 4.41Å; W285-L344 HydrophobicContact CD2-CD1 4.5Å; W285-L344 HydrophobicContact CD2-CD2 3.42Å; W285-L344 VanDerWaalsContact CD2-CD2 3.42Å; W285-L344 HydrophobicContact CE3-CD2 3.55Å; W285-L344 HydrophobicContact CG-CD1 4.17Å; W285-L344 HydrophobicContact CG-CD2 3.83Å; W285-L344 HydrophobicContact CH2-CD2 4.24Å; W285-L344 HydrophobicContact CZ2-CD2 4.13Å; W285-L344 HydrophobicContact CZ3-CD2 3.96Å
286F98Very high97.9Very high2 Ų254.5 Ų54.51%0.00927%0.268CS..  trans-128.167.7-179.6-63.1-96.5000111.3I242 I276 V280 K281 W308 V324I242-F286 HydrophobicContact CD1-CB 3.5Å; I242-F286 VanDerWaalsContact CD1-CB 3.5Å; I242-F286 HydrophobicContact CD1-CD1 3.9Å; I242-F286 HydrophobicContact CD1-CD2 3.91Å; I242-F286 HydrophobicContact CD1-CG 3.5Å; I242-F286 VanDerWaalsContact CD1-CG 3.5Å; I242-F286 HydrophobicContact CG1-CB 3.68Å; I242-F286 HydrophobicContact CG1-CG 4.18Å; I276-F286 HydrophobicContact CG2-CD1 3.84Å; I276-F286 HydrophobicContact CG2-CE1 3.87Å; V280-F286 HydrophobicContact CG1-CB 4.06Å; V280-F286 HydrophobicContact CG1-CD1 4.24Å; K281-F286 HydrophobicContact CB-CD1 4.06Å; K281-F286 HydrophobicContact CB-CE1 3.67Å; K281-F286 HydrophobicContact CB-CZ 4.18Å; K281-F286 HydrophobicContact CD-CE1 4.13Å; K281-F286 HydrophobicContact CD-CZ 3.83Å; K281-F286 HydrophobicContact CG-CD1 4.4Å; K281-F286 HydrophobicContact CG-CE1 3.83Å; K281-F286 HydrophobicContact CG-CE2 4.37Å; K281-F286 HydrophobicContact CG-CZ 3.8Å; F286-W308 AromaticContact CE1-NE1 3.6Å; F286-W308 AromaticContact CE2-CD1 3.69Å; F286-W308 AromaticContact CZ-CD1 3.58Å; F286-W308 AromaticContact CZ-NE1 3.41Å; F286-V324 HydrophobicContact CD2-CG1 4.49Å; F286-V324 HydrophobicContact CE2-CG1 4.01Å; F286-V324 HydrophobicContact CE2-CG2 3.65Å; F286-V324 HydrophobicContact CZ-CG2 4.24Å
287P97.8Very high97.8Very high7 Ų756.5 Ų56.55%0.04528%0.282CS..  trans-65.2173.9175.731.8-38.8000112.2V280 H282 W285 L296 L298 I300 L344V280-P287 WeakPolarHBondContact CG1-O 3.41Å; V280-P287 WeakPolarHBondContact O-CD 3.4Å; H282-P287 HydrophobicContact CB-CG 4.45Å; W285-P287 VanDerWaalsContact C-CD 3.48Å; W285-P287 WeakPolarHBondContact O-CD 3.43Å; P287-L296 HydrophobicContact CB-CD1 3.64Å; P287-L296 HydrophobicContact CG-CD1 3.68Å; P287-L298 WeakPolarHBondContact CB-O 3.46Å; P287-I300 WeakPolarHBondContact CA-O 3.49Å; P287-L344 HydrophobicContact CB-CD1 4.13Å
288W98.2Very high97.7Very high5 Ų557 Ų572%0.01929%0.285CS..EExtended strand (participates in β ladder)trans-86.4140.3177.7-67.666.8000111.5N226 D239 S240 G244 V246 S297 L298 E305N226-W288 HydrophobicContact CB-CZ3 4.11Å; N226-W288 WeakPolarHBondContact ND2-CH2 3.34Å; N226-W288 WeakPolarHBondContact ND2-CZ3 3.43Å; D239-W288 HydrophobicContact CB-CE3 3.87Å; D239-W288 HydrophobicContact CB-CZ3 4.47Å; S240-W288 VanDerWaalsContact C-CE3 3.46Å; S240-W288 WeakPolarHBondContact O-CA 3.32Å; G244-W288 WeakPolarHBondContact O-CH2 3.4Å; V246-W288 HydrophobicContact CG2-CH2 4.07Å; V246-W288 HydrophobicContact CG2-CZ3 4.26Å; W288-S297 PolarHBondContact O-N 3.32Å; W288-S297 PolarHBondContact O-OG 3.11Å; W288-L298 HydrophobicContact CB-CB 3.98Å; W288-L298 HydrophobicContact CB-CD1 4.45Å; W288-L298 HydrophobicContact CB-CG 4.43Å; W288-L298 PolarHBondContact N-O 3.26Å; W288-L298 PolarHBondContact O-N 3.38Å; W288-E305 PolarHBondContact NE1-OE1 3.24Å
289V98.6Very high97.6Very high4 Ų450.2 Ų50.22%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-131.8159-179.5-54.80000110.6L223 S240 Y279 V280 M291 M295L223-V289 HydrophobicContact CD1-CG2 3.76Å; S240-V289 WeakPolarHBondContact CA-O 3.28Å; S240-V289 WeakPolarHBondContact CB-O 3.23Å; S240-V289 PolarHBondContact N-O 2.75Å; S240-V289 PolarHBondContact O-N 2.72Å; Y279-V289 WeakPolarHBondContact O-CG1 3.32Å; V280-V289 HydrophobicContact CG2-CG2 3.96Å; V289-M291 PolarHBondContact O-N 3.28Å; V289-M295 CarbonylContact C-O 3.57Å; V289-M295 WeakPolarHBondContact CA-O 3.4Å; V289-M295 WeakPolarHBondContact CB-O 3.33Å
290S98.6Very high97.6Very high27 Ų2748 Ų4819%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-63.7129.6169175.90000110.6H292 S293 G294 M295S290-H292 PolarHBondContact O-N 3.01Å; S290-H292 VanDerWaalsContact O-N 3.11Å; S290-H292 PolarHBondContact OG-N 3Å; S290-S293 WeakPolarHBondContact CB-OG 3.49Å; S290-S293 PolarHBondContact O-N 2.9Å; S290-G294 WeakPolarHBondContact O-CA 3.36Å; S290-G294 PolarHBondContact O-N 3.19Å; S290-M295 PolarHBondContact N-O 3.01Å
291M98.5Very high97.5Very high1 Ų148 Ų481%0.00526%0.257CS..THydrogen-bonded Turntrans-60-24.1175.875.7179.4-72.400113.1S219 I221 L223 G225 W235 T238 V289S219-M291 WeakPolarHBondContact CB-O 3.24Å; S219-M291 PolarHBondContact OG-O 3.31Å; I221-M291 WeakPolarHBondContact CD1-O 3.42Å; I221-M291 WeakPolarHBondContact CG1-O 3.2Å; L223-M291 HydrophobicContact CB-CB 4Å; G225-M291 VanDerWaalsContact CA-SD 3.57Å; G225-M291 PolarHBondContact N-SD 3.16Å; G225-M291 VanDerWaalsContact N-SD 3.38Å; W235-M291 HydrophobicContact CB-SD 4.18Å; W235-M291 HydrophobicContact CD2-CE 4.02Å; W235-M291 HydrophobicContact CD2-SD 4.02Å; W235-M291 HydrophobicContact CG-CE 3.99Å; W235-M291 HydrophobicContact CG-SD 3.77Å; W235-M291 HydrophobicContact CZ2-CE 4.33Å; T238-M291 HydrophobicContact CG2-CG 4.44Å; T238-M291 HydrophobicContact CG2-SD 4.04Å; T238-M291 WeakPolarHBondContact O-CB 3.33Å; T238-M291 WeakPolarHBondContact O-CG 3.5Å; T238-M291 PolarHBondContact O-N 3.07Å; V289-M291 PolarHBondContact O-N 3.28Å
292H98.5Very high97.4Very high109 Ų10946.2 Ų46.251%0.50525%0.249SC..THydrogen-bonded Turntrans-89-38-174.3-64.5-61.1000113S290S290-H292 PolarHBondContact O-N 3.01Å; S290-H292 VanDerWaalsContact O-N 3.11Å; S290-H292 PolarHBondContact OG-N 3Å
293S98Very high97.5Very high59 Ų5940.4 Ų40.441%0.41322%0.222SC..THydrogen-bonded Turntrans-112-19-175.262.70000114.1S290 M295S290-S293 WeakPolarHBondContact CB-OG 3.49Å; S290-S293 PolarHBondContact O-N 2.9Å; S293-M295 PolarHBondContact O-N 3.35Å; S293-M295 WeakPolarHBondContact OG-CB 3.43Å; S293-M295 WeakPolarHBondContact OG-CG 3.48Å; S293-M295 PolarHBondContact OG-N 3.08Å
294G97.9Very high97.6Very high16 Ų1636.4 Ų36.417%0.16520%0.201CC..  trans69.711.8-169.300000113.4S290S290-G294 WeakPolarHBondContact O-CA 3.36Å; S290-G294 PolarHBondContact O-N 3.19Å
295M98.1Very high97.6Very high140 Ų14035.2 Ų35.269%0.6920%0.195SC*.  trans-74.7137.1175.2-68.8178.966.700110.6V289 S290 S293 S297V289-M295 CarbonylContact C-O 3.57Å; V289-M295 WeakPolarHBondContact CA-O 3.4Å; V289-M295 WeakPolarHBondContact CB-O 3.33Å; S290-M295 PolarHBondContact N-O 3.01Å; S293-M295 PolarHBondContact O-N 3.35Å; S293-M295 WeakPolarHBondContact OG-CB 3.43Å; S293-M295 WeakPolarHBondContact OG-CG 3.48Å; S293-M295 PolarHBondContact OG-N 3.08Å; M295-S297 PolarHBondContact O-N 3.49Å
296L97.8Very high97.7Very high112 Ų11234 Ų3459%0.58619%0.19SC*.EExtended strand (participates in β ladder)trans-50.9123.5175.1-173.965.6000111.2P287 P299P287-L296 HydrophobicContact CB-CD1 3.64Å; P287-L296 HydrophobicContact CG-CD1 3.68Å; L296-P299 HydrophobicContact CD1-CB 4.31Å; L296-P299 HydrophobicContact CD2-CB 4.11Å; L296-P299 HydrophobicContact CG-CB 4.42Å
297S96.8Very high97.7Very high43 Ų4334.2 Ų34.230%0.30119%0.191SC..EExtended strand (participates in β ladder)trans-109.7-48.8176.8640000111.9D239 W288 M295D239-S297 WeakPolarHBondContact OD1-CB 3.35Å; D239-S297 PolarHBondContact OD1-OG 2.84Å; W288-S297 PolarHBondContact O-N 3.32Å; W288-S297 PolarHBondContact O-OG 3.11Å; M295-S297 PolarHBondContact O-N 3.49Å
298L95.4Very high97.7Very high77 Ų7734 Ų3440%0.40319%0.189SC..EExtended strand (participates in β ladder)trans-127.1114.4174.6-52.1167.5000110.3P287 W288 I300P287-L298 WeakPolarHBondContact CB-O 3.46Å; W288-L298 HydrophobicContact CB-CB 3.98Å; W288-L298 HydrophobicContact CB-CD1 4.45Å; W288-L298 HydrophobicContact CB-CG 4.43Å; W288-L298 PolarHBondContact N-O 3.26Å; W288-L298 PolarHBondContact O-N 3.38Å; L298-I300 HydrophobicContact CB-CD1 4.25Å; L298-I300 HydrophobicContact CB-CG1 3.94Å; L298-I300 HydrophobicContact CD1-CD1 4.41Å; L298-I300 PolarHBondContact O-N 3.36Å
299P96.5Very high97.7Very high44 Ų4433.8 Ų33.829%0.28619%0.188SC..  trans-83.254-17937.7-38.6000111.5L296 L344 P345L296-P299 HydrophobicContact CD1-CB 4.31Å; L296-P299 HydrophobicContact CD2-CB 4.11Å; L296-P299 HydrophobicContact CG-CB 4.42Å; P299-L344 WeakPolarHBondContact O-CB 3.41Å; P299-L344 PolarHBondContact O-N 2.86Å; P299-P345 HydrophobicContact CB-CG 3.84Å; P299-P345 HydrophobicContact CG-CG 3.96Å; P299-P345 VanDerWaalsContact O-CD 3.3Å; P299-P345 WeakPolarHBondContact O-CD 3.24Å
300I97Very high97.7Very high13 Ų1333.6 Ų33.67%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-119.6148.9-176.862.3172.2000110.7P287 L298 Q302 F341 Y342P287-I300 WeakPolarHBondContact CA-O 3.49Å; L298-I300 HydrophobicContact CB-CD1 4.25Å; L298-I300 HydrophobicContact CB-CG1 3.94Å; L298-I300 HydrophobicContact CD1-CD1 4.41Å; L298-I300 PolarHBondContact O-N 3.36Å; I300-Q302 HydrophobicContact CD1-CG 4.13Å; I300-F341 HydrophobicContact CD1-CD2 3.42Å; I300-F341 VanDerWaalsContact CD1-CD2 3.42Å; I300-F341 HydrophobicContact CD1-CE2 3.4Å; I300-F341 HydrophobicContact CD1-CG 4.11Å; I300-F341 HydrophobicContact CD1-CZ 4.06Å; I300-Y342 CarbonylContact C-O 3.43Å; I300-Y342 VanDerWaalsContact CA-O 3.28Å; I300-Y342 WeakPolarHBondContact CA-O 3.37Å
301F96.9Very high97.7Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-97.7137.3157.9159.9-100.1000108.4W285 E305 A306 Y328 I331 T338 F341 Y342 L344W285-F301 HydrophobicContact CE3-CB 3.92Å; W285-F301 HydrophobicContact CE3-CD2 4.2Å; W285-F301 HydrophobicContact CE3-CG 4.14Å; W285-F301 HydrophobicContact CZ3-CB 3.89Å; W285-F301 HydrophobicContact CZ3-CD1 4.25Å; W285-F301 HydrophobicContact CZ3-CD2 4.04Å; W285-F301 AromaticContact CZ3-CG 3.79Å; W285-F301 HydrophobicContact CZ3-CG 3.79Å; F301-E305 VanDerWaalsContact CA-OE2 3.26Å; F301-E305 WeakPolarHBondContact CA-OE2 3.03Å; F301-E305 HydrophobicContact CD2-CB 4.04Å; F301-E305 VanDerWaalsContact CD2-OE2 3.24Å; F301-E305 WeakPolarHBondContact CD2-OE2 3.3Å; F301-E305 HydrophobicContact CE2-CB 3.84Å; F301-A306 HydrophobicContact CZ-CB 4.17Å; F301-Y328 HydrophobicContact CD2-CD1 4.35Å; F301-Y328 AromaticContact CD2-CE1 3.59Å; F301-Y328 HydrophobicContact CD2-CE1 3.59Å; F301-Y328 HydrophobicContact CE1-CD1 4.48Å; F301-Y328 AromaticContact CE2-CD1 3.79Å; F301-Y328 HydrophobicContact CE2-CD1 3.79Å; F301-Y328 AromaticContact CE2-CE1 3.14Å; F301-Y328 HydrophobicContact CE2-CE1 3.14Å; F301-Y328 HydrophobicContact CE2-CE2 4.31Å; F301-Y328 AromaticContact CE2-CZ 3.45Å; F301-Y328 VanDerWaalsContact CE2-CZ 3.45Å; F301-Y328 HydrophobicContact CG-CE1 4.45Å; F301-Y328 AromaticContact CZ-CD1 3.85Å; F301-Y328 HydrophobicContact CZ-CD1 3.85Å; F301-Y328 AromaticContact CZ-CE1 3.71Å; F301-Y328 HydrophobicContact CZ-CE1 3.71Å; F301-Y328 HydrophobicContact CZ-CG 4.43Å; F301-I331 HydrophobicContact CD1-CD1 3.59Å; F301-I331 HydrophobicContact CE1-CD1 3.7Å; F301-I331 HydrophobicContact CG-CD1 4.48Å; F301-T338 HydrophobicContact CE1-CG2 4.29Å; F301-F341 CarbonylContact O-C 3.35Å; F301-F341 WeakPolarHBondContact O-CA 3.19Å; F301-Y342 PolarHBondContact N-O 3.03Å; F301-Y342 PolarHBondContact O-N 2.84Å; F301-L344 HydrophobicContact CB-CD2 4.01Å; F301-L344 HydrophobicContact CB-CG 4.47Å
302Q97.4Very high97.7Very high19 Ų1932.4 Ų32.49%0.08918%0.178CC..EExtended strand (participates in β ladder)trans-105139.4170.1-58.8178.2-16.500110I300 L304 E305 E340 F341I300-Q302 HydrophobicContact CD1-CG 4.13Å; Q302-L304 PolarHBondContact O-N 2.84Å; Q302-L304 VanDerWaalsContact O-N 3.11Å; Q302-E305 HydrophobicContact CB-CG 4.04Å; Q302-E305 WeakPolarHBondContact CB-OE1 3.3Å; Q302-E305 WeakPolarHBondContact CG-OE1 2.89Å; Q302-E305 PolarHBondContact N-OE1 3.32Å; Q302-E305 PolarHBondContact N-OE2 3.1Å; Q302-E305 VanDerWaalsContact O-CB 3.23Å; Q302-E305 WeakPolarHBondContact O-CB 3.49Å; Q302-E305 WeakPolarHBondContact O-CG 3.29Å; Q302-E305 PolarHBondContact O-N 2.94Å; Q302-E340 CarbonylContact C-O 3.51Å; Q302-E340 WeakPolarHBondContact CA-O 3.45Å; Q302-F341 HydrophobicContact CG-CD1 3.92Å; Q302-F341 HydrophobicContact CG-CE1 3.75Å; Q302-F341 HydrophobicContact CG-CZ 4.27Å; Q302-F341 VanDerWaalsContact NE2-CZ 3.27Å
303S97.1Very high97.7Very high1 Ų127.5 Ų27.51%0.00716%0.156CC..G310 helixtrans-49.8-38.517651.50000113.1E305 A306 P339 E340 R359S303-E305 PolarHBondContact O-N 3.13Å; S303-E305 VanDerWaalsContact O-N 3.16Å; S303-A306 WeakPolarHBondContact O-CB 3.43Å; S303-A306 PolarHBondContact O-N 3.25Å; S303-P339 WeakPolarHBondContact CB-O 3.41Å; S303-E340 PolarHBondContact N-O 3.31Å; S303-E340 WeakPolarHBondContact OG-CA 3.34Å; S303-E340 PolarHBondContact OG-OE1 3.07Å; S303-R359 VanDerWaalsContact OG-CD 3.23Å; S303-R359 WeakPolarHBondContact OG-CD 3.32Å; S303-R359 PolarHBondContact OG-NE 3.28Å
304L97.5Very high97.6Very high36 Ų3628 Ų2819%0.18815%0.154CC..G310 helixtrans-55-29.6174.7-70.6173.3000113.6Q302 A306 F307 E361Q302-L304 PolarHBondContact O-N 2.84Å; Q302-L304 VanDerWaalsContact O-N 3.11Å; L304-A306 PolarHBondContact O-N 2.8Å; L304-F307 WeakPolarHBondContact O-CD1 3.37Å; L304-E361 VanDerWaalsContact CD2-OE1 3.28Å; L304-E361 WeakPolarHBondContact CD2-OE1 3.48Å
305E97.7Very high97.5Very high0 Ų029.5 Ų29.50%016%0.156CC..G310 helixtrans-71.3-12.1-179.7-58.9159.4-178.300111.6I242 W288 F301 Q302 S303 F307 W308 Y328I242-E305 HydrophobicContact CD1-CB 4.23Å; I242-E305 HydrophobicContact CG1-CB 4.16Å; I242-E305 HydrophobicContact CG1-CG 4.03Å; W288-E305 PolarHBondContact NE1-OE1 3.24Å; F301-E305 VanDerWaalsContact CA-OE2 3.26Å; F301-E305 WeakPolarHBondContact CA-OE2 3.03Å; F301-E305 HydrophobicContact CD2-CB 4.04Å; F301-E305 VanDerWaalsContact CD2-OE2 3.24Å; F301-E305 WeakPolarHBondContact CD2-OE2 3.3Å; F301-E305 HydrophobicContact CE2-CB 3.84Å; Q302-E305 HydrophobicContact CB-CG 4.04Å; Q302-E305 WeakPolarHBondContact CB-OE1 3.3Å; Q302-E305 WeakPolarHBondContact CG-OE1 2.89Å; Q302-E305 PolarHBondContact N-OE1 3.32Å; Q302-E305 PolarHBondContact N-OE2 3.1Å; Q302-E305 VanDerWaalsContact O-CB 3.23Å; Q302-E305 WeakPolarHBondContact O-CB 3.49Å; Q302-E305 WeakPolarHBondContact O-CG 3.29Å; Q302-E305 PolarHBondContact O-N 2.94Å; S303-E305 PolarHBondContact O-N 3.13Å; S303-E305 VanDerWaalsContact O-N 3.16Å; E305-F307 PolarHBondContact O-N 3.43Å; E305-F307 VanDerWaalsContact O-N 3.13Å; E305-W308 WeakPolarHBondContact O-CB 3.3Å; E305-W308 PolarHBondContact O-N 2.85Å; E305-W308 VanDerWaalsContact O-N 3.17Å; E305-Y328 PolarHBondContact O-OH 2.9Å
306A98.4Very high97.4Very high0 Ų025.5 Ų25.50%015%0.151CC..G310 helixtrans-67.3-8-179.800000114.4F301 S303 L304 W308 P309 Y328 E361 L362 S365F301-A306 HydrophobicContact CZ-CB 4.17Å; S303-A306 WeakPolarHBondContact O-CB 3.43Å; S303-A306 PolarHBondContact O-N 3.25Å; L304-A306 PolarHBondContact O-N 2.8Å; A306-W308 VanDerWaalsContact C-N 3.27Å; A306-P309 WeakPolarHBondContact O-CD 3.19Å; A306-Y328 HydrophobicContact CB-CD2 4.18Å; A306-Y328 HydrophobicContact CB-CE2 4.06Å; A306-E361 CarbonylContact C-O 3.56Å; A306-E361 HydrophobicContact CB-CB 4.03Å; A306-E361 VanDerWaalsContact O-O 3.12Å; A306-L362 HydrophobicContact CB-CB 3.98Å; A306-S365 VanDerWaalsContact O-CB 3.31Å; A306-S365 WeakPolarHBondContact O-CB 3.38Å; A306-S365 PolarHBondContact O-OG 3.31Å
307F98.4Very high97.4Very high6 Ų621.5 Ų21.53%0.02613%0.13CC..G310 helixtrans-72.1-23.5173.582.2-65.4000112.2I242 D247 E251 L304 E305 G310 L311 E361 S365I242-F307 HydrophobicContact CB-CE1 4.49Å; I242-F307 VanDerWaalsContact O-CE1 3.27Å; I242-F307 WeakPolarHBondContact O-CE1 3.17Å; D247-F307 HydrophobicContact CB-CE1 3.99Å; D247-F307 HydrophobicContact CB-CZ 4.03Å; E251-F307 HydrophobicContact CB-CD2 4.41Å; E251-F307 HydrophobicContact CB-CE2 4.03Å; E251-F307 HydrophobicContact CG-CD2 4.44Å; L304-F307 WeakPolarHBondContact O-CD1 3.37Å; E305-F307 PolarHBondContact O-N 3.43Å; E305-F307 VanDerWaalsContact O-N 3.13Å; F307-G310 WeakPolarHBondContact O-CA 3.38Å; F307-G310 PolarHBondContact O-N 2.87Å; F307-L311 HydrophobicContact CD2-CB 4.48Å; F307-L311 HydrophobicContact CE2-CD2 3.91Å; F307-L311 PolarHBondContact O-N 3.23Å; F307-E361 HydrophobicContact CB-CB 4Å; F307-E361 HydrophobicContact CB-CG 4.2Å; F307-S365 PolarHBondContact O-OG 3.21Å
308W98.6Very high97.4Very high2 Ų221.8 Ų21.81%0.00813%0.128CC..Hα-helixtrans-62.8-40.3-167-172.5-111.7000114.2I242 F250 F269 I276 F286 E305 A306 G310 L311 L312I242-W308 HydrophobicContact CD1-CB 3.62Å; I242-W308 HydrophobicContact CD1-CD2 3.88Å; I242-W308 HydrophobicContact CD1-CE3 4.39Å; I242-W308 HydrophobicContact CD1-CG 3.51Å; I242-W308 HydrophobicContact CG2-CE3 4.36Å; I242-W308 HydrophobicContact CG2-CZ3 4.38Å; F250-W308 HydrophobicContact CB-CZ3 3.96Å; F250-W308 HydrophobicContact CG-CZ3 4.46Å; F269-W308 HydrophobicContact CE2-CH2 4.06Å; F269-W308 HydrophobicContact CE2-CZ3 4.21Å; F269-W308 HydrophobicContact CZ-CH2 4.26Å; I276-W308 HydrophobicContact CD1-CH2 3.84Å; I276-W308 HydrophobicContact CD1-CZ2 4.32Å; I276-W308 HydrophobicContact CG2-CZ2 4.16Å; F286-W308 AromaticContact CE1-NE1 3.6Å; F286-W308 AromaticContact CE2-CD1 3.69Å; F286-W308 AromaticContact CZ-CD1 3.58Å; F286-W308 AromaticContact CZ-NE1 3.41Å; E305-W308 WeakPolarHBondContact O-CB 3.3Å; E305-W308 PolarHBondContact O-N 2.85Å; E305-W308 VanDerWaalsContact O-N 3.17Å; A306-W308 VanDerWaalsContact C-N 3.27Å; W308-G310 VanDerWaalsContact C-N 3.31Å; W308-G310 PolarHBondContact O-N 2.8Å; W308-L311 HydrophobicContact CE3-CD2 3.84Å; W308-L311 HydrophobicContact CZ3-CD2 3.62Å; W308-L311 PolarHBondContact O-N 2.84Å; W308-L312 HydrophobicContact CG-CD1 4.46Å; W308-L312 HydrophobicContact CG-CG 4.47Å; W308-L312 HydrophobicContact CZ2-CD2 4.27Å; W308-L312 WeakPolarHBondContact O-CB 3.34Å; W308-L312 WeakPolarHBondContact O-CG 3.27Å; W308-L312 PolarHBondContact O-N 2.88Å
309P98.7Very high97.5Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-59.3-38.9171.9-23.434000113.5A306 L311 L312 T313 A321 V324 I325 Y328 S365A306-P309 WeakPolarHBondContact O-CD 3.19Å; P309-L311 VanDerWaalsContact C-N 3.32Å; P309-L312 PolarHBondContact O-N 3.03Å; P309-T313 WeakPolarHBondContact O-CB 3.08Å; P309-T313 PolarHBondContact O-N 2.87Å; P309-T313 PolarHBondContact O-OG1 2.97Å; P309-A321 HydrophobicContact CB-CB 4.13Å; P309-A321 WeakPolarHBondContact O-CB 3.4Å; P309-V324 HydrophobicContact CG-CB 4.02Å; P309-V324 HydrophobicContact CG-CG1 3.66Å; P309-I325 HydrophobicContact CB-CD1 4.16Å; P309-I325 HydrophobicContact CB-CG1 3.58Å; P309-I325 HydrophobicContact CG-CD1 4.12Å; P309-I325 HydrophobicContact CG-CG1 3.8Å; P309-Y328 HydrophobicContact CG-CD2 4.3Å; P309-Y328 HydrophobicContact CG-CE2 3.69Å; P309-S365 WeakPolarHBondContact CD-OG 3.35Å
310G98.3Very high97.6Very high0 Ų023.1 Ų23.10%013%0.128CC..Hα-helixtrans-61.3-43.4173.900000111.2F307 W308 T313 L314 S365F307-G310 WeakPolarHBondContact O-CA 3.38Å; F307-G310 PolarHBondContact O-N 2.87Å; W308-G310 VanDerWaalsContact C-N 3.31Å; W308-G310 PolarHBondContact O-N 2.8Å; G310-T313 WeakPolarHBondContact O-CB 3.48Å; G310-T313 PolarHBondContact O-N 3.43Å; G310-L314 PolarHBondContact O-N 3.36Å; G310-S365 PolarHBondContact N-OG 2.92Å
311L98.4Very high97.7Very high2 Ų222.5 Ų22.51%0.0113%0.125CC..Hα-helixtrans-66.6-41.2176.1-161.369.8000113.2E251 L254 K255 F269 F307 W308 P309 T313 L314 F315E251-L311 HydrophobicContact CB-CD1 4.29Å; E251-L311 HydrophobicContact CB-CD2 4.4Å; E251-L311 HydrophobicContact CG-CD1 3.88Å; L254-L311 HydrophobicContact CB-CD1 4.04Å; L254-L311 HydrophobicContact CB-CG 4.49Å; L254-L311 HydrophobicContact CD2-CD1 3.66Å; L254-L311 HydrophobicContact CD2-CG 3.78Å; L254-L311 WeakPolarHBondContact CD2-O 3.2Å; L254-L311 HydrophobicContact CG-CD1 4.33Å; K255-L311 HydrophobicContact CG-CD1 4.3Å; F269-L311 HydrophobicContact CE2-CD2 3.56Å; F269-L311 HydrophobicContact CE2-CG 4.14Å; F269-L311 HydrophobicContact CZ-CD2 4.01Å; F269-L311 HydrophobicContact CZ-CG 4.16Å; F307-L311 HydrophobicContact CD2-CB 4.48Å; F307-L311 HydrophobicContact CE2-CD2 3.91Å; F307-L311 PolarHBondContact O-N 3.23Å; W308-L311 HydrophobicContact CE3-CD2 3.84Å; W308-L311 HydrophobicContact CZ3-CD2 3.62Å; W308-L311 PolarHBondContact O-N 2.84Å; P309-L311 VanDerWaalsContact C-N 3.32Å; L311-T313 VanDerWaalsContact C-N 3.26Å; L311-T313 PolarHBondContact O-N 3.25Å; L311-L314 HydrophobicContact CD1-CD1 4.47Å; L311-L314 PolarHBondContact O-N 2.91Å; L311-F315 WeakPolarHBondContact O-CB 3.15Å; L311-F315 PolarHBondContact O-N 3.25Å
312L98.6Very high97.8Very high1 Ų124.6 Ų24.61%0.00513%0.134CC..Hα-helixtrans-61.1-38.3173.2-73.6173.7000111.3W308 P309 F315 G316 D317 L320 A321W308-L312 HydrophobicContact CG-CD1 4.46Å; W308-L312 HydrophobicContact CG-CG 4.47Å; W308-L312 HydrophobicContact CZ2-CD2 4.27Å; W308-L312 WeakPolarHBondContact O-CB 3.34Å; W308-L312 WeakPolarHBondContact O-CG 3.27Å; W308-L312 PolarHBondContact O-N 2.88Å; P309-L312 PolarHBondContact O-N 3.03Å; L312-F315 WeakPolarHBondContact O-CB 3.21Å; L312-F315 PolarHBondContact O-N 2.77Å; L312-G316 PolarHBondContact O-N 3.32Å; L312-D317 HydrophobicContact CB-CB 4.34Å; L312-D317 HydrophobicContact CD2-CB 4.24Å; L312-D317 PolarHBondContact O-N 3.42Å; L312-L320 HydrophobicContact CD1-CB 4.16Å; L312-L320 HydrophobicContact CD1-CD2 3.74Å; L312-L320 HydrophobicContact CD1-CG 3.69Å; L312-L320 HydrophobicContact CD2-CD2 4.13Å; L312-A321 HydrophobicContact CB-CB 4.06Å
313T98.2Very high97.8Very high6 Ų628.6 Ų28.64%0.03715%0.149CC..Hα-helixtrans-63.6-49.4176.3-56.60000111.2P309 G310 L311 F315 G316 I318 Y368 L369 S372P309-T313 WeakPolarHBondContact O-CB 3.08Å; P309-T313 PolarHBondContact O-N 2.87Å; P309-T313 PolarHBondContact O-OG1 2.97Å; G310-T313 WeakPolarHBondContact O-CB 3.48Å; G310-T313 PolarHBondContact O-N 3.43Å; L311-T313 VanDerWaalsContact C-N 3.26Å; L311-T313 PolarHBondContact O-N 3.25Å; T313-F315 PolarHBondContact O-N 2.63Å; T313-G316 WeakPolarHBondContact O-CA 3.44Å; T313-G316 PolarHBondContact O-N 2.81Å; T313-I318 HydrophobicContact CG2-CD1 3.66Å; T313-Y368 WeakPolarHBondContact CG2-O 3.36Å; T313-L369 HydrophobicContact CG2-CD1 4.31Å; T313-L369 WeakPolarHBondContact OG1-CD1 3.19Å; T313-S372 VanDerWaalsContact CG2-OG 3.22Å; T313-S372 WeakPolarHBondContact CG2-OG 3.42Å
314L95.2Very high97.9Very high70 Ų7028.6 Ų28.637%0.36615%0.149SC..Hα-helixtrans-56.6-32.5174.9-77174.9000112.6L254 K255 G310 L311 Y368L254-L314 HydrophobicContact CD2-CB 3.89Å; K255-L314 HydrophobicContact CG-CD1 4.34Å; G310-L314 PolarHBondContact O-N 3.36Å; L311-L314 HydrophobicContact CD1-CD1 4.47Å; L311-L314 PolarHBondContact O-N 2.91Å; L314-Y368 HydrophobicContact CD1-CD1 4.43Å; L314-Y368 HydrophobicContact CD1-CD2 4.45Å; L314-Y368 HydrophobicContact CD1-CE1 4.05Å; L314-Y368 HydrophobicContact CD1-CE2 4.06Å; L314-Y368 HydrophobicContact CD2-CD1 3.67Å; L314-Y368 HydrophobicContact CD2-CE1 3.48Å; L314-Y368 VanDerWaalsContact CD2-CE1 3.48Å; L314-Y368 HydrophobicContact CD2-CG 4.47Å; L314-Y368 HydrophobicContact CG-CD1 3.92Å; L314-Y368 HydrophobicContact CG-CE1 3.93Å; L314-Y368 HydrophobicContact CG-CG 4.24Å
315F96.4Very high97.9Very high48 Ų4826.9 Ų26.921%0.21114%0.14CC..Hα-helixtrans-78.2-19.2175.6177.4-103.4000113.7L254 I266 F269 H270 L311 L312 T313 D317L254-F315 HydrophobicContact CD1-CB 4.33Å; L254-F315 HydrophobicContact CD1-CD2 4.06Å; L254-F315 HydrophobicContact CD2-CB 3.72Å; I266-F315 HydrophobicContact CD1-CD2 4.12Å; I266-F315 HydrophobicContact CD1-CE2 4.08Å; F269-F315 AromaticContact CD1-CD2 3.74Å; F269-F315 HydrophobicContact CD1-CD2 3.74Å; F269-F315 HydrophobicContact CD1-CE2 4.04Å; F269-F315 HydrophobicContact CD1-CG 4.38Å; F269-F315 HydrophobicContact CE1-CB 3.93Å; F269-F315 HydrophobicContact CE1-CD1 4.4Å; F269-F315 AromaticContact CE1-CD2 3.5Å; F269-F315 HydrophobicContact CE1-CD2 3.5Å; F269-F315 VanDerWaalsContact CE1-CD2 3.5Å; F269-F315 HydrophobicContact CE1-CE2 4.07Å; F269-F315 AromaticContact CE1-CG 3.67Å; F269-F315 HydrophobicContact CE1-CG 3.67Å; H270-F315 AromaticContact CE1-CE2 3.26Å; H270-F315 WeakPolarHBondContact CE1-CE2 3.46Å; H270-F315 AromaticContact CE1-CZ 3.14Å; H270-F315 WeakPolarHBondContact CE1-CZ 3.42Å; H270-F315 AromaticContact ND1-CE2 3.57Å; H270-F315 AromaticContact ND1-CZ 3.32Å; H270-F315 VanDerWaalsContact ND1-CZ 3.32Å; H270-F315 WeakPolarHBondContact ND1-CZ 3.27Å; H270-F315 AromaticContact NE2-CE2 3.54Å; H270-F315 AromaticContact NE2-CZ 3.91Å; L311-F315 WeakPolarHBondContact O-CB 3.15Å; L311-F315 PolarHBondContact O-N 3.25Å; L312-F315 WeakPolarHBondContact O-CB 3.21Å; L312-F315 PolarHBondContact O-N 2.77Å; T313-F315 PolarHBondContact O-N 2.63Å; F315-D317 HydrophobicContact CD1-CB 4.08Å
316G96.6Very high97.9Very high56 Ų5631 Ų3158%0.57716%0.161SC*.THydrogen-bonded Turntrans97.510.2-178.200000115.1L312 T313 I318L312-G316 PolarHBondContact O-N 3.32Å; T313-G316 WeakPolarHBondContact O-CA 3.44Å; T313-G316 PolarHBondContact O-N 2.81Å; G316-I318 VanDerWaalsContact C-N 3.32Å; G316-I318 PolarHBondContact O-N 3.37Å
317D97.3Very high97.9Very high28 Ų2832.6 Ų32.615%0.1517%0.17CC..  trans-91.565.4175.6-1716.7000111.5R273 L312 F315 E319 L320 A321R273-D317 IonicContact CZ-OD2 2.86Å; R273-D317 IonicContact NE-OD2 3.51Å; R273-D317 PolarHBondContact NE-OD2 3.05Å; R273-D317 IonicContact NH2-OD2 3.78Å; R273-D317 PolarHBondContact NH2-OD2 3.25Å; L312-D317 HydrophobicContact CB-CB 4.34Å; L312-D317 HydrophobicContact CD2-CB 4.24Å; L312-D317 PolarHBondContact O-N 3.42Å; F315-D317 HydrophobicContact CD1-CB 4.08Å; D317-E319 VanDerWaalsContact C-N 3.31Å; D317-E319 PolarHBondContact O-N 2.76Å; D317-L320 VanDerWaalsContact CG-CB 3.5Å; D317-L320 WeakPolarHBondContact OD1-CB 3.17Å; D317-L320 PolarHBondContact OD1-N 2.68Å; D317-L320 WeakPolarHBondContact OD2-CB 3.28Å; D317-L320 WeakPolarHBondContact OD2-CD2 3.38Å; D317-A321 WeakPolarHBondContact O-CB 3.36Å; D317-A321 PolarHBondContact O-N 3.18Å; D317-A321 VanDerWaalsContact O-N 3.12Å
318I97.9Very high97.9Very high49 Ų4932.3 Ų32.325%0.25117%0.169SC..Hα-helixtrans-64.4-35.9-173.1-50.6-50.2000111.8T313 G316 A321 H322 L369T313-I318 HydrophobicContact CG2-CD1 3.66Å; G316-I318 VanDerWaalsContact C-N 3.32Å; G316-I318 PolarHBondContact O-N 3.37Å; I318-A321 PolarHBondContact O-N 3.06Å; I318-H322 VanDerWaalsContact CG2-CE1 3.46Å; I318-H322 WeakPolarHBondContact CG2-CE1 3.41Å; I318-H322 PolarHBondContact O-N 3.41Å; I318-H322 VanDerWaalsContact O-N 3.07Å; I318-H322 PolarHBondContact O-ND1 2.74Å; I318-L369 HydrophobicContact CG2-CD1 3.94Å
319E97.6Very high97.8Very high144 Ų14433.3 Ų33.367%0.67317%0.174SC*.Hα-helixtrans-68.3-45.3-178.7-71.5-156.7175.800112.6D317 A321 H322 R323D317-E319 VanDerWaalsContact C-N 3.31Å; D317-E319 PolarHBondContact O-N 2.76Å; E319-A321 VanDerWaalsContact C-N 3.33Å; E319-H322 PolarHBondContact O-N 2.83Å; E319-R323 PolarHBondContact O-N 3.16Å; E319-R323 IonicContact OE2-NH1 3.37Å
320L97.9Very high97.7Very high5 Ų536.6 Ų36.63%0.02619%0.194CC..Hα-helixtrans-66.3-40.6176.7-177.360.6000110.6K281 D284 L312 D317 H322 R323 V324K281-L320 HydrophobicContact CD-CD1 3.94Å; D284-L320 WeakPolarHBondContact OD1-CD1 3.39Å; L312-L320 HydrophobicContact CD1-CB 4.16Å; L312-L320 HydrophobicContact CD1-CD2 3.74Å; L312-L320 HydrophobicContact CD1-CG 3.69Å; L312-L320 HydrophobicContact CD2-CD2 4.13Å; D317-L320 VanDerWaalsContact CG-CB 3.5Å; D317-L320 WeakPolarHBondContact OD1-CB 3.17Å; D317-L320 PolarHBondContact OD1-N 2.68Å; D317-L320 WeakPolarHBondContact OD2-CB 3.28Å; D317-L320 WeakPolarHBondContact OD2-CD2 3.38Å; L320-H322 VanDerWaalsContact C-N 3.33Å; L320-H322 PolarHBondContact O-N 3.18Å; L320-R323 PolarHBondContact O-N 2.57Å; L320-V324 HydrophobicContact CD1-CG2 4.05Å; L320-V324 HydrophobicContact CG-CG2 4.22Å; L320-V324 VanDerWaalsContact O-CG2 3.25Å; L320-V324 WeakPolarHBondContact O-CG2 3.28Å; L320-V324 PolarHBondContact O-N 2.93Å
321A98.7Very high97.7Very high0 Ų036.6 Ų36.60%019%0.194CC..Hα-helixtrans-54.3-46.4175.500000112.4P309 L312 D317 I318 E319 V324 I325 L369P309-A321 HydrophobicContact CB-CB 4.13Å; P309-A321 WeakPolarHBondContact O-CB 3.4Å; L312-A321 HydrophobicContact CB-CB 4.06Å; D317-A321 WeakPolarHBondContact O-CB 3.36Å; D317-A321 PolarHBondContact O-N 3.18Å; D317-A321 VanDerWaalsContact O-N 3.12Å; I318-A321 PolarHBondContact O-N 3.06Å; E319-A321 VanDerWaalsContact C-N 3.33Å; A321-V324 PolarHBondContact O-N 3.23Å; A321-I325 WeakPolarHBondContact O-CB 3.3Å; A321-I325 PolarHBondContact O-N 3.07Å; A321-L369 HydrophobicContact CB-CD1 3.79Å; A321-L369 HydrophobicContact CB-CD2 4.31Å
322H98.4Very high97.6Very high43 Ų4336.7 Ų36.720%0.19920%0.195CC..Hα-helixtrans-61.2-47.4176.3-7891000112.6I318 E319 L320 V324 I325 L326 L369 S373 D375I318-H322 VanDerWaalsContact CG2-CE1 3.46Å; I318-H322 WeakPolarHBondContact CG2-CE1 3.41Å; I318-H322 PolarHBondContact O-N 3.41Å; I318-H322 VanDerWaalsContact O-N 3.07Å; I318-H322 PolarHBondContact O-ND1 2.74Å; E319-H322 PolarHBondContact O-N 2.83Å; L320-H322 VanDerWaalsContact C-N 3.33Å; L320-H322 PolarHBondContact O-N 3.18Å; H322-V324 VanDerWaalsContact C-N 3.28Å; H322-V324 PolarHBondContact O-N 3.39Å; H322-I325 PolarHBondContact O-N 3.3Å; H322-L326 WeakPolarHBondContact O-CG 3.17Å; H322-L326 PolarHBondContact O-N 2.87Å; H322-L369 VanDerWaalsContact CE1-CD1 3.46Å; H322-L369 WeakPolarHBondContact CE1-CD1 3.46Å; H322-S373 WeakPolarHBondContact CE1-CB 3.32Å; H322-S373 WeakPolarHBondContact NE2-CB 3.36Å; H322-S373 PolarHBondContact NE2-OG 3.26Å; H322-D375 IonicContact CD2-OD2 3.9Å
323R98.3Very high97.5Very high104 Ų10441.5 Ų41.539%0.39222%0.22SC..Hα-helixtrans-60.7-40.3-178.3-68.1-166.2-61.3-89.8-6.7112.1D284 E319 L320 L326D284-R323 HydrophobicContact CB-CB 4.37Å; D284-R323 VanDerWaalsContact OD2-CB 3.28Å; D284-R323 WeakPolarHBondContact OD2-CB 3.13Å; D284-R323 WeakPolarHBondContact OD2-CD 3.37Å; D284-R323 IonicContact OD2-NE 3.67Å; D284-R323 PolarHBondContact OD2-NE 3.4Å; D284-R323 VanDerWaalsContact OD2-NE 3.14Å; E319-R323 PolarHBondContact O-N 3.16Å; E319-R323 IonicContact OE2-NH1 3.37Å; L320-R323 PolarHBondContact O-N 2.57Å; R323-L326 PolarHBondContact O-N 2.68Å
324V98.6Very high97.4Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-68.8-41.1177.3-179.40000111D284 F286 P309 L320 A321 H322 L326 N327 Y328D284-V324 HydrophobicContact CB-CG2 4.05Å; F286-V324 HydrophobicContact CD2-CG1 4.49Å; F286-V324 HydrophobicContact CE2-CG1 4.01Å; F286-V324 HydrophobicContact CE2-CG2 3.65Å; F286-V324 HydrophobicContact CZ-CG2 4.24Å; P309-V324 HydrophobicContact CG-CB 4.02Å; P309-V324 HydrophobicContact CG-CG1 3.66Å; L320-V324 HydrophobicContact CD1-CG2 4.05Å; L320-V324 HydrophobicContact CG-CG2 4.22Å; L320-V324 VanDerWaalsContact O-CG2 3.25Å; L320-V324 WeakPolarHBondContact O-CG2 3.28Å; L320-V324 PolarHBondContact O-N 2.93Å; A321-V324 PolarHBondContact O-N 3.23Å; H322-V324 VanDerWaalsContact C-N 3.28Å; H322-V324 PolarHBondContact O-N 3.39Å; V324-L326 VanDerWaalsContact C-N 3.29Å; V324-L326 PolarHBondContact O-N 3.5Å; V324-N327 WeakPolarHBondContact O-CB 3.4Å; V324-N327 PolarHBondContact O-N 3.26Å; V324-N327 VanDerWaalsContact O-N 3.16Å; V324-Y328 HydrophobicContact CG1-CE1 4.18Å; V324-Y328 HydrophobicContact CG1-CE2 3.67Å; V324-Y328 VanDerWaalsContact CG1-CZ 3.47Å; V324-Y328 WeakPolarHBondContact CG1-OH 3.47Å; V324-Y328 PolarHBondContact O-N 3.04Å
325I98.4Very high97.5Very high1 Ų143.4 Ų43.41%0.00523%0.226CC..Hα-helixtrans-62.1-35.6176.5-86.5-70.3000112.7P309 A321 H322 N327 Y328 N329 L362 L366 L369 L378 M381P309-I325 HydrophobicContact CB-CD1 4.16Å; P309-I325 HydrophobicContact CB-CG1 3.58Å; P309-I325 HydrophobicContact CG-CD1 4.12Å; P309-I325 HydrophobicContact CG-CG1 3.8Å; A321-I325 WeakPolarHBondContact O-CB 3.3Å; A321-I325 PolarHBondContact O-N 3.07Å; H322-I325 PolarHBondContact O-N 3.3Å; I325-N327 VanDerWaalsContact C-N 3.27Å; I325-N327 PolarHBondContact O-N 2.96Å; I325-Y328 HydrophobicContact CD1-CD2 4.14Å; I325-Y328 PolarHBondContact O-N 2.87Å; I325-Y328 VanDerWaalsContact O-N 3.11Å; I325-N329 PolarHBondContact O-N 2.88Å; I325-L362 HydrophobicContact CD1-CD1 3.55Å; I325-L366 HydrophobicContact CD1-CD2 4.14Å; I325-L366 HydrophobicContact CG2-CD2 4.45Å; I325-L369 HydrophobicContact CB-CD2 4.18Å; I325-L369 HydrophobicContact CG1-CD2 3.91Å; I325-L369 HydrophobicContact CG2-CD2 4.41Å; I325-L378 HydrophobicContact CG2-CD2 3.68Å; I325-M381 HydrophobicContact CG2-CE 3.91Å; I325-M381 HydrophobicContact CG2-SD 3.85Å
326L97.9Very high97.4Very high86 Ų8642 Ų4245%0.4523%0.225SC..Hα-helixtrans-62.5-35.6176.5-70.1174.7000112.2H322 R323 V324 Y328 N329 V330 L377H322-L326 WeakPolarHBondContact O-CG 3.17Å; H322-L326 PolarHBondContact O-N 2.87Å; R323-L326 PolarHBondContact O-N 2.68Å; V324-L326 VanDerWaalsContact C-N 3.29Å; V324-L326 PolarHBondContact O-N 3.5Å; L326-Y328 VanDerWaalsContact C-N 3.35Å; L326-N329 WeakPolarHBondContact O-CB 3.32Å; L326-N329 PolarHBondContact O-N 3.16Å; L326-V330 PolarHBondContact O-N 3.23Å; L326-L377 HydrophobicContact CD2-CD2 3.64Å
327N97.5Very high97.3Very high34 Ų3439.4 Ų39.418%0.18220%0.198CC..Hα-helixtrans-62-42.8172.6-80-11.2000111.3N283 D284 W285 V324 I325 N329 V330N283-N327 PolarHBondContact O-ND2 2.67Å; N283-N327 VanDerWaalsContact O-ND2 3.1Å; D284-N327 VanDerWaalsContact C-ND2 3.29Å; D284-N327 PolarHBondContact O-ND2 2.94Å; D284-N327 VanDerWaalsContact O-ND2 3.17Å; W285-N327 HydrophobicContact CD2-CB 4.16Å; W285-N327 HydrophobicContact CE3-CB 4.35Å; W285-N327 HydrophobicContact CH2-CB 3.71Å; W285-N327 WeakPolarHBondContact CH2-O 3.41Å; W285-N327 HydrophobicContact CZ2-CB 3.46Å; W285-N327 VanDerWaalsContact CZ2-CB 3.46Å; W285-N327 HydrophobicContact CZ3-CB 4.15Å; W285-N327 PolarHBondContact NE1-ND2 2.68Å; V324-N327 WeakPolarHBondContact O-CB 3.4Å; V324-N327 PolarHBondContact O-N 3.26Å; V324-N327 VanDerWaalsContact O-N 3.16Å; I325-N327 VanDerWaalsContact C-N 3.27Å; I325-N327 PolarHBondContact O-N 2.96Å; N327-N329 VanDerWaalsContact C-N 3.32Å; N327-N329 PolarHBondContact O-N 2.96Å; N327-V330 WeakPolarHBondContact O-CB 3.42Å; N327-V330 PolarHBondContact O-N 3.14Å
328Y97.6Very high97.3Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-70.6-29.6177.5-53.6-22.6000112.5W285 F301 E305 A306 P309 V324 I325 L326 V330 I331 L332 L362W285-Y328 HydrophobicContact CE3-CD1 4.45Å; W285-Y328 HydrophobicContact CE3-CE1 4.02Å; W285-Y328 HydrophobicContact CH2-CD1 4.22Å; W285-Y328 AromaticContact CZ3-CD1 3.69Å; W285-Y328 HydrophobicContact CZ3-CD1 3.69Å; W285-Y328 AromaticContact CZ3-CE1 3.67Å; W285-Y328 HydrophobicContact CZ3-CE1 3.67Å; F301-Y328 HydrophobicContact CD2-CD1 4.35Å; F301-Y328 AromaticContact CD2-CE1 3.59Å; F301-Y328 HydrophobicContact CD2-CE1 3.59Å; F301-Y328 HydrophobicContact CE1-CD1 4.48Å; F301-Y328 AromaticContact CE2-CD1 3.79Å; F301-Y328 HydrophobicContact CE2-CD1 3.79Å; F301-Y328 AromaticContact CE2-CE1 3.14Å; F301-Y328 HydrophobicContact CE2-CE1 3.14Å; F301-Y328 HydrophobicContact CE2-CE2 4.31Å; F301-Y328 AromaticContact CE2-CZ 3.45Å; F301-Y328 VanDerWaalsContact CE2-CZ 3.45Å; F301-Y328 HydrophobicContact CG-CE1 4.45Å; F301-Y328 AromaticContact CZ-CD1 3.85Å; F301-Y328 HydrophobicContact CZ-CD1 3.85Å; F301-Y328 AromaticContact CZ-CE1 3.71Å; F301-Y328 HydrophobicContact CZ-CE1 3.71Å; F301-Y328 HydrophobicContact CZ-CG 4.43Å; E305-Y328 PolarHBondContact O-OH 2.9Å; A306-Y328 HydrophobicContact CB-CD2 4.18Å; A306-Y328 HydrophobicContact CB-CE2 4.06Å; P309-Y328 HydrophobicContact CG-CD2 4.3Å; P309-Y328 HydrophobicContact CG-CE2 3.69Å; V324-Y328 HydrophobicContact CG1-CE1 4.18Å; V324-Y328 HydrophobicContact CG1-CE2 3.67Å; V324-Y328 VanDerWaalsContact CG1-CZ 3.47Å; V324-Y328 WeakPolarHBondContact CG1-OH 3.47Å; V324-Y328 PolarHBondContact O-N 3.04Å; I325-Y328 HydrophobicContact CD1-CD2 4.14Å; I325-Y328 PolarHBondContact O-N 2.87Å; I325-Y328 VanDerWaalsContact O-N 3.11Å; L326-Y328 VanDerWaalsContact C-N 3.35Å; Y328-V330 PolarHBondContact O-N 2.86Å; Y328-I331 WeakPolarHBondContact O-CB 3.23Å; Y328-I331 PolarHBondContact O-N 2.68Å; Y328-I331 VanDerWaalsContact O-N 3.12Å; Y328-L332 PolarHBondContact O-N 2.84Å; Y328-L362 HydrophobicContact CD2-CD1 4.01Å; Y328-L362 HydrophobicContact CG-CD1 4.5Å
329N97.5Very high97.3Very high22 Ų2236 Ų3612%0.11818%0.18CC..Hα-helixtrans-61.7-31.9171.8-166.332.6000112.2I325 L326 N327 I331 L332 N333 M381I325-N329 PolarHBondContact O-N 2.88Å; L326-N329 WeakPolarHBondContact O-CB 3.32Å; L326-N329 PolarHBondContact O-N 3.16Å; N327-N329 VanDerWaalsContact C-N 3.32Å; N327-N329 PolarHBondContact O-N 2.96Å; N329-I331 VanDerWaalsContact C-N 3.32Å; N329-I331 PolarHBondContact O-N 2.92Å; N329-L332 PolarHBondContact O-N 3.25Å; N329-N333 WeakPolarHBondContact O-CB 3.48Å; N329-N333 VanDerWaalsContact O-CG 3.26Å; N329-N333 PolarHBondContact O-N 2.85Å; N329-N333 PolarHBondContact O-ND2 2.81Å; N329-N333 PolarHBondContact OD1-ND2 3.38Å; N329-M381 HydrophobicContact CB-CE 3.53Å; N329-M381 HydrophobicContact CB-SD 3.95Å; N329-M381 WeakPolarHBondContact OD1-CG 3.34Å
330V96.6Very high97.3Very high69 Ų6930 Ų3042%0.41815%0.152SC..Hα-helixtrans-60.8-44.6173.2178.60000110.4L326 N327 Y328 N333 Q334 M347L326-V330 PolarHBondContact O-N 3.23Å; N327-V330 WeakPolarHBondContact O-CB 3.42Å; N327-V330 PolarHBondContact O-N 3.14Å; Y328-V330 PolarHBondContact O-N 2.86Å; V330-N333 PolarHBondContact O-N 2.76Å; V330-Q334 WeakPolarHBondContact O-CB 3.03Å; V330-Q334 PolarHBondContact O-N 2.86Å; V330-M347 HydrophobicContact CG1-CE 4.24Å
331I97.3Very high97.3Very high0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-65.8-44.9177.9-53.8-178.7000110.7W285 F301 Y328 N329 N333 Q334 Y335 T338 P339 Y342W285-I331 HydrophobicContact CH2-CD1 3.7Å; W285-I331 HydrophobicContact CH2-CG1 4.08Å; W285-I331 HydrophobicContact CZ3-CD1 3.95Å; F301-I331 HydrophobicContact CD1-CD1 3.59Å; F301-I331 HydrophobicContact CE1-CD1 3.7Å; F301-I331 HydrophobicContact CG-CD1 4.48Å; Y328-I331 WeakPolarHBondContact O-CB 3.23Å; Y328-I331 PolarHBondContact O-N 2.68Å; Y328-I331 VanDerWaalsContact O-N 3.12Å; N329-I331 VanDerWaalsContact C-N 3.32Å; N329-I331 PolarHBondContact O-N 2.92Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 PolarHBondContact O-N 2.83Å; I331-Q334 WeakPolarHBondContact O-CB 3.26Å; I331-Q334 PolarHBondContact O-N 2.72Å; I331-Y335 HydrophobicContact CG2-CD2 4.07Å; I331-Y335 PolarHBondContact O-N 3.38Å; I331-T338 HydrophobicContact CG2-CG2 4.26Å; I331-P339 VanDerWaalsContact CG2-CD 3.49Å; I331-Y342 HydrophobicContact CD1-CD1 4.02Å; I331-Y342 HydrophobicContact CD1-CD2 3.98Å; I331-Y342 HydrophobicContact CD1-CE1 4.36Å; I331-Y342 HydrophobicContact CD1-CE2 4.32Å; I331-Y342 HydrophobicContact CD1-CG 3.81Å; I331-Y342 HydrophobicContact CG1-CD1 4.45Å; I331-Y342 HydrophobicContact CG1-CD2 4.12Å; I331-Y342 HydrophobicContact CG1-CE1 4.31Å; I331-Y342 HydrophobicContact CG1-CE2 3.97Å; I331-Y342 HydrophobicContact CG1-CG 4.35Å; I331-Y342 HydrophobicContact CG2-CD2 4.15Å; I331-Y342 HydrophobicContact CG2-CE2 4.24Å
332L96.9Very high97.3Very high5 Ų531.7 Ų31.73%0.02616%0.16CC..Hα-helixtrans-58.9-40.1175.3-79.9179000112.3Y328 N329 Q334 G336 L362 M381 M385Y328-L332 PolarHBondContact O-N 2.84Å; N329-L332 PolarHBondContact O-N 3.25Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 2.63Å; L332-G336 WeakPolarHBondContact CD2-O 2.98Å; L332-G336 WeakPolarHBondContact O-CA 3.37Å; L332-G336 PolarHBondContact O-N 3.01Å; L332-L362 HydrophobicContact CD1-CD2 3.51Å; L332-L362 HydrophobicContact CD1-CG 4.49Å; L332-L362 HydrophobicContact CD2-CD2 3.9Å; L332-L362 HydrophobicContact CG-CD2 3.67Å; L332-M381 HydrophobicContact CD1-CB 4.13Å; L332-M381 HydrophobicContact CD1-CE 3.69Å; L332-M381 HydrophobicContact CD1-CG 4.47Å; L332-M385 HydrophobicContact CD1-CG 4.11Å; L332-M385 HydrophobicContact CD1-SD 4.35Å; L332-M385 HydrophobicContact CD2-CG 3.69Å; L332-M385 HydrophobicContact CD2-SD 4.48Å
333N96.5Very high97.3Very high101 Ų10130.9 Ų30.954%0.5416%0.156SC..Hα-helixtrans-70.8-26.5176.8-69.9-42.9000112.5N329 V330 I331N329-N333 WeakPolarHBondContact O-CB 3.48Å; N329-N333 VanDerWaalsContact O-CG 3.26Å; N329-N333 PolarHBondContact O-N 2.85Å; N329-N333 PolarHBondContact O-ND2 2.81Å; N329-N333 PolarHBondContact OD1-ND2 3.38Å; V330-N333 PolarHBondContact O-N 2.76Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 PolarHBondContact O-N 2.83Å
334Q97Very high97.2Very high87 Ų8727.2 Ų27.241%0.40715%0.145SC..Hα-helixtrans-77.3-39177.9-169.8175.56.100112.4V330 I331 L332 Y342 M347V330-Q334 WeakPolarHBondContact O-CB 3.03Å; V330-Q334 PolarHBondContact O-N 2.86Å; I331-Q334 WeakPolarHBondContact O-CB 3.26Å; I331-Q334 PolarHBondContact O-N 2.72Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 2.63Å; Q334-Y342 PolarHBondContact OE1-OH 3.44Å; Q334-M347 PolarHBondContact NE2-O 2.81Å
335Y96.8Very high97.1Very high29 Ų2931.4 Ų31.411%0.11417%0.172CC..Hα-helixtrans-131.8-6.3-168.4-62.3-53.6000115.3I331 M337 Y342 A349 V405 H408I331-Y335 HydrophobicContact CG2-CD2 4.07Å; I331-Y335 PolarHBondContact O-N 3.38Å; Y335-M337 WeakPolarHBondContact CB-O 3.39Å; Y335-M337 PolarHBondContact O-N 3.41Å; Y335-M337 VanDerWaalsContact O-N 3.14Å; Y335-Y342 HydrophobicContact CE2-CD2 4.22Å; Y335-Y342 AromaticContact CE2-CE2 3.84Å; Y335-Y342 HydrophobicContact CE2-CE2 3.84Å; Y335-A349 HydrophobicContact CE2-CB 3.92Å; Y335-A349 PolarHBondContact OH-N 3.15Å; Y335-A349 VanDerWaalsContact OH-N 3.09Å; Y335-V405 HydrophobicContact CD1-CB 4.32Å; Y335-V405 HydrophobicContact CD1-CG2 3.9Å; Y335-V405 HydrophobicContact CD2-CG2 3.79Å; Y335-V405 HydrophobicContact CE1-CG2 4.23Å; Y335-V405 HydrophobicContact CE2-CG2 4.09Å; Y335-V405 HydrophobicContact CG-CB 4.09Å; Y335-V405 HydrophobicContact CG-CG2 3.69Å; Y335-H408 PolarHBondContact O-CE1 3.24Å; Y335-H408 VanDerWaalsContact O-CE1 3.31Å
336G93.6Very high97Very high19 Ų1936.2 Ų36.220%0.19620%0.197CC..SBendtrans74.3-11.7-171.800000114.9L332 A388L332-G336 WeakPolarHBondContact CD2-O 2.98Å; L332-G336 WeakPolarHBondContact O-CA 3.37Å; L332-G336 PolarHBondContact O-N 3.01Å; G336-A388 VanDerWaalsContact O-CB 3.28Å; G336-A388 WeakPolarHBondContact O-CB 3.41Å
337M95.4Very high96.9Very high2 Ų235.8 Ų35.81%0.0119%0.194CC..SBendtrans-155.7161.8-175.862.4-162.36800110.5Y335 Y356 A388 C392 V402 V405Y335-M337 WeakPolarHBondContact CB-O 3.39Å; Y335-M337 PolarHBondContact O-N 3.41Å; Y335-M337 VanDerWaalsContact O-N 3.14Å; M337-Y356 HydrophobicContact CB-CD1 3.65Å; M337-Y356 HydrophobicContact CB-CD2 4.03Å; M337-Y356 HydrophobicContact CB-CE1 3.88Å; M337-Y356 HydrophobicContact CB-CE2 4.24Å; M337-Y356 HydrophobicContact CB-CG 3.7Å; M337-Y356 HydrophobicContact CE-CD1 4.4Å; M337-Y356 HydrophobicContact CG-CD1 3.87Å; M337-Y356 HydrophobicContact CG-CG 3.81Å; M337-Y356 VanDerWaalsContact SD-CB 3.58Å; M337-Y356 HydrophobicContact SD-CD1 3.38Å; M337-Y356 WeakPolarHBondContact SD-CD1 3.46Å; M337-Y356 HydrophobicContact SD-CE1 4.27Å; M337-Y356 HydrophobicContact SD-CG 3.74Å; M337-A388 HydrophobicContact CE-CB 4.12Å; M337-C392 HydrophobicContact CE-CB 3.81Å; M337-V402 HydrophobicContact CE-CG2 4.15Å; M337-V402 HydrophobicContact SD-CB 3.87Å; M337-V402 HydrophobicContact SD-CG1 3.95Å; M337-V402 HydrophobicContact SD-CG2 3.68Å; M337-V405 HydrophobicContact CG-CB 4.27Å; M337-V405 HydrophobicContact CG-CG1 3.49Å; M337-V405 VanDerWaalsContact CG-CG1 3.49Å; M337-V405 HydrophobicContact SD-CG1 3.79Å
338T97Very high96.9Very high4 Ų437.3 Ų37.33%0.02520%0.2CC..  trans-89.5122.1177.849.40000110.9F301 I331 Y356 L362F301-T338 HydrophobicContact CE1-CG2 4.29Å; I331-T338 HydrophobicContact CG2-CG2 4.26Å; T338-Y356 VanDerWaalsContact O-CD2 3.25Å; T338-Y356 WeakPolarHBondContact O-CD2 3.41Å; T338-L362 HydrophobicContact CG2-CD2 3.82Å
339P98.2Very high96.9Very high0 Ų037.3 Ų37.30%020%0.2CC..  trans-67.1158172.430.2-32.6000110.3S303 I331 F341 Y342 A349 G355 V405S303-P339 WeakPolarHBondContact CB-O 3.41Å; I331-P339 VanDerWaalsContact CG2-CD 3.49Å; P339-F341 VanDerWaalsContact C-N 3.26Å; P339-F341 PolarHBondContact O-N 3.11Å; P339-Y342 HydrophobicContact CG-CD2 3.98Å; P339-A349 HydrophobicContact CB-CB 3.8Å; P339-A349 HydrophobicContact CG-CB 3.77Å; P339-G355 CarbonylContact C-O 3.11Å; P339-G355 WeakPolarHBondContact CA-O 3.42Å; P339-V405 HydrophobicContact CB-CG1 4.18Å; P339-V405 HydrophobicContact CB-CG2 3.78Å; P339-V405 HydrophobicContact CG-CG2 4.23Å
340E97.7Very high96.9Very high20 Ų2039.1 Ų39.19%0.09321%0.208CC..SBendtrans-49.3-52.8175.1-81-61.587.500110.1Q302 S303 R353 G355 P357 R359Q302-E340 CarbonylContact C-O 3.51Å; Q302-E340 WeakPolarHBondContact CA-O 3.45Å; S303-E340 PolarHBondContact N-O 3.31Å; S303-E340 WeakPolarHBondContact OG-CA 3.34Å; S303-E340 PolarHBondContact OG-OE1 3.07Å; E340-R353 HydrophobicContact CB-CB 4.17Å; E340-R353 WeakPolarHBondContact CB-O 3.46Å; E340-R353 IonicContact OE2-NH2 2.79Å; E340-G355 WeakPolarHBondContact CG-O 3.22Å; E340-G355 PolarHBondContact N-O 3.27Å; E340-P357 HydrophobicContact CG-CG 4.48Å; E340-P357 WeakPolarHBondContact OE1-CD 3.32Å; E340-R359 WeakPolarHBondContact OE1-CD 3.46Å; E340-R359 IonicContact OE1-CZ 3.3Å; E340-R359 IonicContact OE1-NE 3.67Å; E340-R359 PolarHBondContact OE1-NE 2.98Å; E340-R359 IonicContact OE1-NH2 3.69Å; E340-R359 PolarHBondContact OE1-NH2 3.42Å; E340-R359 IonicContact OE2-CZ 3.89Å; E340-R359 IonicContact OE2-NE 3.77Å; E340-R359 IonicContact OE2-NH2 2.79Å; E340-R359 PolarHBondContact OE2-NH2 2.85Å
341F98.1Very high96.7Very high39 Ų3940.1 Ų40.117%0.17122%0.218CC..EExtended strand (participates in β ladder)trans-124.9133.1177.2-73.928.4000109.6I300 F301 Q302 P339 Q350 R353I300-F341 HydrophobicContact CD1-CD2 3.42Å; I300-F341 VanDerWaalsContact CD1-CD2 3.42Å; I300-F341 HydrophobicContact CD1-CE2 3.4Å; I300-F341 HydrophobicContact CD1-CG 4.11Å; I300-F341 HydrophobicContact CD1-CZ 4.06Å; F301-F341 CarbonylContact O-C 3.35Å; F301-F341 WeakPolarHBondContact O-CA 3.19Å; Q302-F341 HydrophobicContact CG-CD1 3.92Å; Q302-F341 HydrophobicContact CG-CE1 3.75Å; Q302-F341 HydrophobicContact CG-CZ 4.27Å; Q302-F341 VanDerWaalsContact NE2-CZ 3.27Å; P339-F341 VanDerWaalsContact C-N 3.26Å; P339-F341 PolarHBondContact O-N 3.11Å; F341-Q350 HydrophobicContact CB-CB 3.71Å; F341-Q350 HydrophobicContact CB-CG 4.31Å; F341-Q350 WeakPolarHBondContact O-CB 3.01Å; F341-Q350 PolarHBondContact O-N 3.16Å; F341-R353 HydrophobicContact CB-CB 3.7Å; F341-R353 HydrophobicContact CD1-CB 3.86Å; F341-R353 HydrophobicContact CD1-CG 4.19Å; F341-R353 HydrophobicContact CD2-CB 4.07Å; F341-R353 HydrophobicContact CD2-CG 4.11Å; F341-R353 HydrophobicContact CE1-CG 4.46Å; F341-R353 HydrophobicContact CE2-CG 4.35Å; F341-R353 HydrophobicContact CG-CB 3.61Å; F341-R353 HydrophobicContact CG-CG 4.07Å; F341-R353 PolarHBondContact N-O 2.82Å
342Y98.2Very high96.4Very high1 Ų144.7 Ų44.70%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-119.3124.6173.8-169.5-94.2000109.6I300 F301 I331 Q334 Y335 P339 L344 M347I300-Y342 CarbonylContact C-O 3.43Å; I300-Y342 VanDerWaalsContact CA-O 3.28Å; I300-Y342 WeakPolarHBondContact CA-O 3.37Å; F301-Y342 PolarHBondContact N-O 3.03Å; F301-Y342 PolarHBondContact O-N 2.84Å; I331-Y342 HydrophobicContact CD1-CD1 4.02Å; I331-Y342 HydrophobicContact CD1-CD2 3.98Å; I331-Y342 HydrophobicContact CD1-CE1 4.36Å; I331-Y342 HydrophobicContact CD1-CE2 4.32Å; I331-Y342 HydrophobicContact CD1-CG 3.81Å; I331-Y342 HydrophobicContact CG1-CD1 4.45Å; I331-Y342 HydrophobicContact CG1-CD2 4.12Å; I331-Y342 HydrophobicContact CG1-CE1 4.31Å; I331-Y342 HydrophobicContact CG1-CE2 3.97Å; I331-Y342 HydrophobicContact CG1-CG 4.35Å; I331-Y342 HydrophobicContact CG2-CD2 4.15Å; I331-Y342 HydrophobicContact CG2-CE2 4.24Å; Q334-Y342 PolarHBondContact OE1-OH 3.44Å; Y335-Y342 HydrophobicContact CE2-CD2 4.22Å; Y335-Y342 AromaticContact CE2-CE2 3.84Å; Y335-Y342 HydrophobicContact CE2-CE2 3.84Å; P339-Y342 HydrophobicContact CG-CD2 3.98Å; Y342-L344 HydrophobicContact CD1-CD2 4.11Å; Y342-L344 PolarHBondContact O-N 3.45Å; Y342-M347 HydrophobicContact CE1-CB 4.42Å; Y342-M347 HydrophobicContact CE1-CE 4.31Å; Y342-M347 HydrophobicContact CE1-SD 4.03Å; Y342-M347 WeakPolarHBondContact OH-CA 3.23Å; Y342-M347 PolarHBondContact OH-O 2.92Å
343N97.8Very high96.4Very high25 Ų2550.2 Ų50.213%0.13427%0.27CS..EExtended strand (participates in β ladder)trans-79.9109.8-180-171.7-65000109.4P345 N346 M347 E348 Q350N343-P345 VanDerWaalsContact OD1-CD 3.25Å; N343-P345 WeakPolarHBondContact OD1-CD 3.37Å; N343-N346 HydrophobicContact CB-CB 4.35Å; N343-N346 PolarHBondContact O-N 3.22Å; N343-N346 WeakPolarHBondContact OD1-CB 3.37Å; N343-N346 PolarHBondContact OD1-N 2.86Å; N343-M347 WeakPolarHBondContact O-CA 3.46Å; N343-M347 PolarHBondContact O-N 3.04Å; N343-E348 PolarHBondContact N-O 3.08Å; N343-E348 PolarHBondContact O-N 3.37Å; N343-Q350 PolarHBondContact ND2-OE1 3.29Å; N343-Q350 VanDerWaalsContact ND2-OE1 3.07Å
344L96.9Very high96.4Very high28 Ų2845.6 Ų45.615%0.14725%0.247CC..THydrogen-bonded Turntrans-68.3-41.4-174-61.2171.4000113.3W285 P287 P299 F301 Y342 N346 M347W285-L344 HydrophobicContact CB-CD1 3.91Å; W285-L344 HydrophobicContact CB-CD2 4.41Å; W285-L344 HydrophobicContact CD2-CD1 4.5Å; W285-L344 HydrophobicContact CD2-CD2 3.42Å; W285-L344 VanDerWaalsContact CD2-CD2 3.42Å; W285-L344 HydrophobicContact CE3-CD2 3.55Å; W285-L344 HydrophobicContact CG-CD1 4.17Å; W285-L344 HydrophobicContact CG-CD2 3.83Å; W285-L344 HydrophobicContact CH2-CD2 4.24Å; W285-L344 HydrophobicContact CZ2-CD2 4.13Å; W285-L344 HydrophobicContact CZ3-CD2 3.96Å; P287-L344 HydrophobicContact CB-CD1 4.13Å; P299-L344 WeakPolarHBondContact O-CB 3.41Å; P299-L344 PolarHBondContact O-N 2.86Å; F301-L344 HydrophobicContact CB-CD2 4.01Å; F301-L344 HydrophobicContact CB-CG 4.47Å; Y342-L344 HydrophobicContact CD1-CD2 4.11Å; Y342-L344 PolarHBondContact O-N 3.45Å; L344-N346 VanDerWaalsContact C-N 3.35Å; L344-N346 PolarHBondContact O-N 3.19Å; L344-M347 PolarHBondContact O-N 3.16Å; L344-M347 VanDerWaalsContact O-SD 3.42Å
345P96.6Very high96.4Very high88 Ų8842 Ų4257%0.57123%0.232SC*.THydrogen-bonded Turntrans-60.7-41.2175.8-27.735.3000113.7P299 N343P299-P345 HydrophobicContact CB-CG 3.84Å; P299-P345 HydrophobicContact CG-CG 3.96Å; P299-P345 VanDerWaalsContact O-CD 3.3Å; P299-P345 WeakPolarHBondContact O-CD 3.24Å; N343-P345 VanDerWaalsContact OD1-CD 3.25Å; N343-P345 WeakPolarHBondContact OD1-CD 3.37Å
346N96.4Very high96.5Very high101 Ų10140.7 Ų40.754%0.5423%0.227SC..THydrogen-bonded Turntrans-89.3-12.8-177.6-65.6-5.5000113.4N343 L344 E348N343-N346 HydrophobicContact CB-CB 4.35Å; N343-N346 PolarHBondContact O-N 3.22Å; N343-N346 WeakPolarHBondContact OD1-CB 3.37Å; N343-N346 PolarHBondContact OD1-N 2.86Å; L344-N346 VanDerWaalsContact C-N 3.35Å; L344-N346 PolarHBondContact O-N 3.19Å; N346-E348 HydrophobicContact CB-CG 3.79Å; N346-E348 PolarHBondContact ND2-OE1 2.95Å; N346-E348 PolarHBondContact O-N 3.49Å
347M95.9Very high96.7Very high78 Ų7840.4 Ų40.438%0.38422%0.222SC..THydrogen-bonded Turntrans52.950.1-174.8-62.6-69.3-66.900112.7V330 Q334 Y342 N343 L344V330-M347 HydrophobicContact CG1-CE 4.24Å; Q334-M347 PolarHBondContact NE2-O 2.81Å; Y342-M347 HydrophobicContact CE1-CB 4.42Å; Y342-M347 HydrophobicContact CE1-CE 4.31Å; Y342-M347 HydrophobicContact CE1-SD 4.03Å; Y342-M347 WeakPolarHBondContact OH-CA 3.23Å; Y342-M347 PolarHBondContact OH-O 2.92Å; N343-M347 WeakPolarHBondContact O-CA 3.46Å; N343-M347 PolarHBondContact O-N 3.04Å; L344-M347 PolarHBondContact O-N 3.16Å; L344-M347 VanDerWaalsContact O-SD 3.42Å
348E97.5Very high96.8Very high66 Ų6640.3 Ų40.331%0.30822%0.221SC..EExtended strand (participates in β ladder)trans-146.9160.2178.364.5169.4164.900112.9N343 N346 Q350 K406N343-E348 PolarHBondContact N-O 3.08Å; N343-E348 PolarHBondContact O-N 3.37Å; N346-E348 HydrophobicContact CB-CG 3.79Å; N346-E348 PolarHBondContact ND2-OE1 2.95Å; N346-E348 PolarHBondContact O-N 3.49Å; E348-Q350 PolarHBondContact O-N 3Å; E348-K406 IonicContact OE2-NZ 2.96Å; E348-K406 PolarHBondContact OE2-NZ 3.26Å
349A97.8Very high96.9Very high0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-58.9132.2169.400000111Y335 P339 S351 A354 V405 K406Y335-A349 HydrophobicContact CE2-CB 3.92Å; Y335-A349 PolarHBondContact OH-N 3.15Å; Y335-A349 VanDerWaalsContact OH-N 3.09Å; P339-A349 HydrophobicContact CB-CB 3.8Å; P339-A349 HydrophobicContact CG-CB 3.77Å; A349-S351 PolarHBondContact O-N 3.37Å; A349-A354 HydrophobicContact CB-CB 4.04Å; A349-V405 HydrophobicContact CB-CG2 3.59Å; A349-K406 HydrophobicContact CB-CG 4.24Å; A349-K406 WeakPolarHBondContact O-CE 3.3Å; A349-K406 PolarHBondContact O-NZ 3.48Å
350Q96.7Very high96.9Very high59 Ų5942 Ų4228%0.27623%0.228SC..  trans-72.7118.3178.1-18068.622.100109.3F341 N343 E348 S352 R353 A354F341-Q350 HydrophobicContact CB-CB 3.71Å; F341-Q350 HydrophobicContact CB-CG 4.31Å; F341-Q350 WeakPolarHBondContact O-CB 3.01Å; F341-Q350 PolarHBondContact O-N 3.16Å; N343-Q350 PolarHBondContact ND2-OE1 3.29Å; N343-Q350 VanDerWaalsContact ND2-OE1 3.07Å; E348-Q350 PolarHBondContact O-N 3Å; Q350-S352 PolarHBondContact O-N 3.35Å; Q350-R353 CarbonylContact O-C 3.57Å; Q350-R353 PolarHBondContact O-N 3.4Å; Q350-A354 WeakPolarHBondContact O-CA 3.35Å; Q350-A354 WeakPolarHBondContact O-CB 3.46Å; Q350-A354 PolarHBondContact O-N 3.07Å
351S92.2Very high96.9Very high91 Ų9142.1 Ų42.164%0.63623%0.228SC*.G310 helixtrans-56.1-31.2-168.8-56.50000115.3A349 R353 K406A349-S351 PolarHBondContact O-N 3.37Å; S351-R353 VanDerWaalsContact C-N 3.3Å; S351-R353 PolarHBondContact O-N 3.12Å; S351-K406 PolarHBondContact OG-NZ 3.38Å
352S91.2Very high96.9Very high95 Ų9540.4 Ų40.466%0.66422%0.22SC*.G310 helixtrans-76-15.417853.90000114.3Q350Q350-S352 PolarHBondContact O-N 3.35Å
353R95.9Very high96.9Very high121 Ų12140.3 Ų40.346%0.45722%0.22SC..G310 helixtrans-147.549.4-174-67.1-68.5-78.5-109.2-1.2108.8E340 F341 Q350 S351E340-R353 HydrophobicContact CB-CB 4.17Å; E340-R353 WeakPolarHBondContact CB-O 3.46Å; E340-R353 IonicContact OE2-NH2 2.79Å; F341-R353 HydrophobicContact CB-CB 3.7Å; F341-R353 HydrophobicContact CD1-CB 3.86Å; F341-R353 HydrophobicContact CD1-CG 4.19Å; F341-R353 HydrophobicContact CD2-CB 4.07Å; F341-R353 HydrophobicContact CD2-CG 4.11Å; F341-R353 HydrophobicContact CE1-CG 4.46Å; F341-R353 HydrophobicContact CE2-CG 4.35Å; F341-R353 HydrophobicContact CG-CB 3.61Å; F341-R353 HydrophobicContact CG-CG 4.07Å; F341-R353 PolarHBondContact N-O 2.82Å; Q350-R353 CarbonylContact O-C 3.57Å; Q350-R353 PolarHBondContact O-N 3.4Å; S351-R353 VanDerWaalsContact C-N 3.3Å; S351-R353 PolarHBondContact O-N 3.12Å
354A97.4Very high97Very high5 Ų539.5 Ų39.54%0.04122%0.215CC..  trans-90.82.3-176.100000113.4A349 Q350 V405A349-A354 HydrophobicContact CB-CB 4.04Å; Q350-A354 WeakPolarHBondContact O-CA 3.35Å; Q350-A354 WeakPolarHBondContact O-CB 3.46Å; Q350-A354 PolarHBondContact O-N 3.07Å; A354-V405 WeakPolarHBondContact O-CG1 3.46Å; A354-V405 WeakPolarHBondContact O-CG2 3.46Å; A354-V405 PolarHBondContact O-N 3.37Å
355G97.9Very high97.1Very high10 Ų1038.1 Ų38.110%0.10321%0.208CC..  trans-77.7160.4-175.300000113.8P339 E340 V402 Y403P339-G355 CarbonylContact C-O 3.11Å; P339-G355 WeakPolarHBondContact CA-O 3.42Å; E340-G355 WeakPolarHBondContact CG-O 3.22Å; E340-G355 PolarHBondContact N-O 3.27Å; G355-V402 CarbonylContact C-O 3.46Å; G355-V402 WeakPolarHBondContact CA-O 3.42Å; G355-Y403 WeakPolarHBondContact CA-O 3.46Å; G355-Y403 PolarHBondContact N-O 3.48Å
356Y98.2Very high97.2Very high3 Ų334 Ų341%0.01218%0.181CC..BIsolated β-bridgetrans-125.3101168.8168.6-111.4000108M337 T338 L358 R359 I389 V402M337-Y356 HydrophobicContact CB-CD1 3.65Å; M337-Y356 HydrophobicContact CB-CD2 4.03Å; M337-Y356 HydrophobicContact CB-CE1 3.88Å; M337-Y356 HydrophobicContact CB-CE2 4.24Å; M337-Y356 HydrophobicContact CB-CG 3.7Å; M337-Y356 HydrophobicContact CE-CD1 4.4Å; M337-Y356 HydrophobicContact CG-CD1 3.87Å; M337-Y356 HydrophobicContact CG-CG 3.81Å; M337-Y356 VanDerWaalsContact SD-CB 3.58Å; M337-Y356 HydrophobicContact SD-CD1 3.38Å; M337-Y356 WeakPolarHBondContact SD-CD1 3.46Å; M337-Y356 HydrophobicContact SD-CE1 4.27Å; M337-Y356 HydrophobicContact SD-CG 3.74Å; T338-Y356 VanDerWaalsContact O-CD2 3.25Å; T338-Y356 WeakPolarHBondContact O-CD2 3.41Å; Y356-L358 HydrophobicContact CD1-CD2 4.38Å; Y356-L358 HydrophobicContact CE1-CD2 3.94Å; Y356-L358 PolarHBondContact O-N 3.03Å; Y356-R359 HydrophobicContact CD2-CB 4.43Å; Y356-R359 HydrophobicContact CE2-CB 4.08Å; Y356-R359 PolarHBondContact OH-O 3.18Å; Y356-I389 HydrophobicContact CE1-CG1 4.17Å; Y356-V402 PolarHBondContact N-O 2.7Å; Y356-V402 PolarHBondContact O-N 2.97Å
357P97.5Very high97.2Very high13 Ų1329.4 Ų29.48%0.08416%0.157CC..  trans-84.438-176.733.8-31.7000112.1E340 R359 T401 E415 F417E340-P357 HydrophobicContact CG-CG 4.48Å; E340-P357 WeakPolarHBondContact OE1-CD 3.32Å; P357-R359 HydrophobicContact CG-CG 4.07Å; P357-T401 WeakPolarHBondContact CA-OG1 3.49Å; P357-T401 HydrophobicContact CB-CG2 3.94Å; P357-E415 HydrophobicContact CB-CG 4.44Å; P357-F417 HydrophobicContact CB-CZ 4.45Å; P357-F417 WeakPolarHBondContact O-CE2 3.34Å; P357-F417 VanDerWaalsContact O-CZ 3.23Å; P357-F417 WeakPolarHBondContact O-CZ 3.28Å
358L98.3Very high97.3Very high0 Ų027 Ų270%014%0.144CC..  trans64.635.9179.8-55.1172.6000114.7Y356 I389 S393 Y399 M414 F418 T422Y356-L358 HydrophobicContact CD1-CD2 4.38Å; Y356-L358 HydrophobicContact CE1-CD2 3.94Å; Y356-L358 PolarHBondContact O-N 3.03Å; L358-I389 HydrophobicContact CD2-CG1 4.36Å; L358-I389 HydrophobicContact CD2-CG2 4.3Å; L358-S393 WeakPolarHBondContact CD2-OG 3.18Å; L358-Y399 WeakPolarHBondContact CD1-O 3.5Å; L358-M414 HydrophobicContact CD1-CG 4.41Å; L358-F418 HydrophobicContact CB-CB 4.23Å; L358-F418 HydrophobicContact CB-CD2 3.62Å; L358-F418 HydrophobicContact CB-CE2 4.27Å; L358-F418 HydrophobicContact CB-CG 4.13Å; L358-F418 HydrophobicContact CD1-CB 4.2Å; L358-F418 HydrophobicContact CD1-CD1 4.13Å; L358-F418 HydrophobicContact CD1-CD2 3.87Å; L358-F418 HydrophobicContact CD1-CE1 4.49Å; L358-F418 HydrophobicContact CD1-CE2 4.24Å; L358-F418 HydrophobicContact CD1-CG 3.8Å; L358-F418 HydrophobicContact CD2-CD2 4.42Å; L358-F418 HydrophobicContact CD2-CE2 4.27Å; L358-F418 HydrophobicContact CG-CD2 4.19Å; L358-T422 PolarHBondContact O-OG1 3.17Å
359R97.7Very high97.3Very high39 Ų3923.9 Ų23.915%0.14713%0.129CC..  trans-64.6142.8-172.2-96.7-161.5-153.7-63.8-7.6115.5S303 E340 Y356 P357 E361 F417S303-R359 VanDerWaalsContact OG-CD 3.23Å; S303-R359 WeakPolarHBondContact OG-CD 3.32Å; S303-R359 PolarHBondContact OG-NE 3.28Å; E340-R359 WeakPolarHBondContact OE1-CD 3.46Å; E340-R359 IonicContact OE1-CZ 3.3Å; E340-R359 IonicContact OE1-NE 3.67Å; E340-R359 PolarHBondContact OE1-NE 2.98Å; E340-R359 IonicContact OE1-NH2 3.69Å; E340-R359 PolarHBondContact OE1-NH2 3.42Å; E340-R359 IonicContact OE2-CZ 3.89Å; E340-R359 IonicContact OE2-NE 3.77Å; E340-R359 IonicContact OE2-NH2 2.79Å; E340-R359 PolarHBondContact OE2-NH2 2.85Å; Y356-R359 HydrophobicContact CD2-CB 4.43Å; Y356-R359 HydrophobicContact CE2-CB 4.08Å; Y356-R359 PolarHBondContact OH-O 3.18Å; P357-R359 HydrophobicContact CG-CG 4.07Å; R359-E361 WeakPolarHBondContact CB-OE2 3.47Å; R359-E361 VanDerWaalsContact CD-OE2 3.25Å; R359-E361 WeakPolarHBondContact CD-OE2 3.49Å; R359-E361 WeakPolarHBondContact CG-OE2 3.25Å; R359-E361 IonicContact NH1-OE1 4Å; R359-F417 HydrophobicContact CG-CE2 4.31Å; R359-F417 HydrophobicContact CG-CZ 4.35Å
360P98.4Very high97.3Very high1 Ų125.6 Ų25.61%0.00614%0.136CC..  trans-91.4-17.1-172.534.4-37000115.7L362 A363 E364 E421 T422 Y425P360-L362 VanDerWaalsContact C-N 3.29Å; P360-L362 PolarHBondContact O-N 3.43Å; P360-A363 CarbonylContact O-C 3.5Å; P360-A363 WeakPolarHBondContact O-CA 3.31Å; P360-A363 WeakPolarHBondContact O-CB 3.38Å; P360-A363 PolarHBondContact O-N 3.12Å; P360-E364 PolarHBondContact O-N 3.35Å; P360-E421 HydrophobicContact CB-CB 3.35Å; P360-E421 HydrophobicContact CB-CG 4.42Å; P360-E421 HydrophobicContact CG-CB 3.66Å; P360-E421 HydrophobicContact CG-CG 4.24Å; P360-E421 WeakPolarHBondContact CG-OE2 3.41Å; P360-T422 WeakPolarHBondContact CA-OG1 3.09Å; P360-T422 WeakPolarHBondContact CB-OG1 3.39Å; P360-Y425 HydrophobicContact CB-CD2 4.02Å; P360-Y425 HydrophobicContact CB-CE2 4.26Å
361E98.5Very high97.1Very high21 Ų2126.9 Ų26.910%0.09814%0.138CC..Hα-helixtrans-64.8-34.9-158.6-60.379.8-171.300112.4L304 A306 F307 R359 S365L304-E361 VanDerWaalsContact CD2-OE1 3.28Å; L304-E361 WeakPolarHBondContact CD2-OE1 3.48Å; A306-E361 CarbonylContact C-O 3.56Å; A306-E361 HydrophobicContact CB-CB 4.03Å; A306-E361 VanDerWaalsContact O-O 3.12Å; F307-E361 HydrophobicContact CB-CB 4Å; F307-E361 HydrophobicContact CB-CG 4.2Å; R359-E361 WeakPolarHBondContact CB-OE2 3.47Å; R359-E361 VanDerWaalsContact CD-OE2 3.25Å; R359-E361 WeakPolarHBondContact CD-OE2 3.49Å; R359-E361 WeakPolarHBondContact CG-OE2 3.25Å; R359-E361 IonicContact NH1-OE1 4Å; E361-S365 PolarHBondContact O-N 2.97Å; E361-S365 VanDerWaalsContact O-N 3.07Å; E361-S365 PolarHBondContact O-OG 3.4Å
362L98.6Very high97.1Very high3 Ų326 Ų262%0.01613%0.132CC..Hα-helixtrans-67.5-41.1172.9-175.855000111.7A306 I325 Y328 L332 T338 P360 E364 S365 L366 M385A306-L362 HydrophobicContact CB-CB 3.98Å; I325-L362 HydrophobicContact CD1-CD1 3.55Å; Y328-L362 HydrophobicContact CD2-CD1 4.01Å; Y328-L362 HydrophobicContact CG-CD1 4.5Å; L332-L362 HydrophobicContact CD1-CD2 3.51Å; L332-L362 HydrophobicContact CD1-CG 4.49Å; L332-L362 HydrophobicContact CD2-CD2 3.9Å; L332-L362 HydrophobicContact CG-CD2 3.67Å; T338-L362 HydrophobicContact CG2-CD2 3.82Å; P360-L362 VanDerWaalsContact C-N 3.29Å; P360-L362 PolarHBondContact O-N 3.43Å; L362-E364 VanDerWaalsContact C-N 3.35Å; L362-S365 PolarHBondContact O-N 3.5Å; L362-L366 HydrophobicContact CD1-CG 4.43Å; L362-L366 HydrophobicContact CG-CD1 4.45Å; L362-L366 VanDerWaalsContact O-CG 3.25Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 3.22Å; L362-M385 HydrophobicContact CB-CE 4.18Å; L362-M385 HydrophobicContact CB-SD 4.43Å; L362-M385 HydrophobicContact CD2-CE 4.46Å; L362-M385 HydrophobicContact CD2-SD 4.01Å; L362-M385 HydrophobicContact CG-CE 4.36Å; L362-M385 HydrophobicContact CG-SD 3.96Å
363A98.7Very high97.2Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-64.7-39.5177.100000111.7P360 L366 M367 M385 L426P360-A363 CarbonylContact O-C 3.5Å; P360-A363 WeakPolarHBondContact O-CA 3.31Å; P360-A363 WeakPolarHBondContact O-CB 3.38Å; P360-A363 PolarHBondContact O-N 3.12Å; A363-L366 PolarHBondContact O-N 3.05Å; A363-M367 PolarHBondContact O-N 2.83Å; A363-M385 HydrophobicContact CB-CE 4.02Å; A363-L426 HydrophobicContact CB-CD2 3.98Å; A363-L426 HydrophobicContact CB-CG 3.94Å
364E98.5Very high97.1Very high7 Ų723.9 Ų23.93%0.03312%0.121CC..Hα-helixtrans-56.9-51.5172.3-176.8-176-165.100110.8K255 P360 L362 L366 M367 Y368 Y425K255-E364 IonicContact NZ-OE1 3.34Å; K255-E364 PolarHBondContact NZ-OE1 3.48Å; P360-E364 PolarHBondContact O-N 3.35Å; L362-E364 VanDerWaalsContact C-N 3.35Å; E364-L366 VanDerWaalsContact C-N 3.35Å; E364-L366 PolarHBondContact O-N 3.49Å; E364-M367 WeakPolarHBondContact O-CB 3.21Å; E364-M367 PolarHBondContact O-N 2.57Å; E364-Y368 HydrophobicContact CG-CD2 3.74Å; E364-Y368 HydrophobicContact CG-CE2 3.55Å; E364-Y368 WeakPolarHBondContact O-CD2 3.23Å; E364-Y368 PolarHBondContact O-N 3.44Å; E364-Y368 WeakPolarHBondContact OE1-CE2 3.25Å; E364-Y425 HydrophobicContact CB-CD1 4.24Å; E364-Y425 HydrophobicContact CB-CD2 3.75Å; E364-Y425 HydrophobicContact CB-CE1 4.15Å; E364-Y425 HydrophobicContact CB-CE2 3.63Å; E364-Y425 HydrophobicContact CB-CG 4.05Å; E364-Y425 HydrophobicContact CG-CD1 4.29Å; E364-Y425 HydrophobicContact CG-CD2 4.43Å; E364-Y425 HydrophobicContact CG-CE1 3.8Å; E364-Y425 HydrophobicContact CG-CE2 3.94Å; E364-Y425 PolarHBondContact OE1-OH 2.79Å
365S98.8Very high96.9Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-61.5-40.5179.5-78.80000113.3A306 F307 P309 G310 E361 L362 L369A306-S365 VanDerWaalsContact O-CB 3.31Å; A306-S365 WeakPolarHBondContact O-CB 3.38Å; A306-S365 PolarHBondContact O-OG 3.31Å; F307-S365 PolarHBondContact O-OG 3.21Å; P309-S365 WeakPolarHBondContact CD-OG 3.35Å; G310-S365 PolarHBondContact N-OG 2.92Å; E361-S365 PolarHBondContact O-N 2.97Å; E361-S365 VanDerWaalsContact O-N 3.07Å; E361-S365 PolarHBondContact O-OG 3.4Å; L362-S365 PolarHBondContact O-N 3.5Å; S365-L369 WeakPolarHBondContact O-CB 2.82Å; S365-L369 PolarHBondContact O-N 3.39Å
366L98.7Very high96.7Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-61.6-44.6174.7-69.7177.8000111.2I325 L362 A363 E364 Y370 L378 M381 M385 L429I325-L366 HydrophobicContact CD1-CD2 4.14Å; I325-L366 HydrophobicContact CG2-CD2 4.45Å; L362-L366 HydrophobicContact CD1-CG 4.43Å; L362-L366 HydrophobicContact CG-CD1 4.45Å; L362-L366 VanDerWaalsContact O-CG 3.25Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 3.22Å; A363-L366 PolarHBondContact O-N 3.05Å; E364-L366 VanDerWaalsContact C-N 3.35Å; E364-L366 PolarHBondContact O-N 3.49Å; L366-Y370 WeakPolarHBondContact O-CB 3.34Å; L366-Y370 PolarHBondContact O-N 3.07Å; L366-L378 HydrophobicContact CD2-CB 4.16Å; L366-L378 HydrophobicContact CD2-CD2 3.72Å; L366-M381 HydrophobicContact CD1-CB 3.82Å; L366-M381 HydrophobicContact CD2-CB 3.95Å; L366-M381 HydrophobicContact CD2-CE 3.93Å; L366-M381 HydrophobicContact CD2-SD 3.86Å; L366-M385 HydrophobicContact CD1-SD 3.7Å; L366-L429 HydrophobicContact CB-CD1 4.46Å; L366-L429 HydrophobicContact CB-CD2 4.02Å; L366-L429 HydrophobicContact CD1-CD2 4.49Å
367M97.9Very high96.6Very high5 Ų530.1 Ų30.13%0.02515%0.153CC..Hα-helixtrans-59.2-53.2178.5-177.3-162.466.400111.4A363 E364 R371 Y425 L428 L429A363-M367 PolarHBondContact O-N 2.83Å; E364-M367 WeakPolarHBondContact O-CB 3.21Å; E364-M367 PolarHBondContact O-N 2.57Å; M367-R371 WeakPolarHBondContact O-CB 3.47Å; M367-R371 VanDerWaalsContact O-CG 3.3Å; M367-R371 WeakPolarHBondContact O-CG 3.18Å; M367-R371 PolarHBondContact O-N 2.86Å; M367-R371 VanDerWaalsContact O-N 3.16Å; M367-Y425 HydrophobicContact CE-CD1 3.64Å; M367-Y425 HydrophobicContact CE-CE1 3.81Å; M367-Y425 HydrophobicContact SD-CD1 3.74Å; M367-Y425 HydrophobicContact SD-CE1 4.43Å; M367-L428 HydrophobicContact CG-CB 4.22Å; M367-L428 HydrophobicContact SD-CB 3.53Å; M367-L428 VanDerWaalsContact SD-CB 3.53Å; M367-L428 HydrophobicContact SD-CD1 3.85Å; M367-L428 HydrophobicContact SD-CG 4.35Å; M367-L429 HydrophobicContact CB-CB 4.35Å
368Y97Very high96.6Very high29 Ų2929.5 Ų29.511%0.11415%0.15CC..Hα-helixtrans-63.5-47.4-179.3-78.2-62.1000111.8T313 L314 E364 Y370 R371 S372T313-Y368 WeakPolarHBondContact CG2-O 3.36Å; L314-Y368 HydrophobicContact CD1-CD1 4.43Å; L314-Y368 HydrophobicContact CD1-CD2 4.45Å; L314-Y368 HydrophobicContact CD1-CE1 4.05Å; L314-Y368 HydrophobicContact CD1-CE2 4.06Å; L314-Y368 HydrophobicContact CD2-CD1 3.67Å; L314-Y368 HydrophobicContact CD2-CE1 3.48Å; L314-Y368 VanDerWaalsContact CD2-CE1 3.48Å; L314-Y368 HydrophobicContact CD2-CG 4.47Å; L314-Y368 HydrophobicContact CG-CD1 3.92Å; L314-Y368 HydrophobicContact CG-CE1 3.93Å; L314-Y368 HydrophobicContact CG-CG 4.24Å; E364-Y368 HydrophobicContact CG-CD2 3.74Å; E364-Y368 HydrophobicContact CG-CE2 3.55Å; E364-Y368 WeakPolarHBondContact O-CD2 3.23Å; E364-Y368 PolarHBondContact O-N 3.44Å; E364-Y368 WeakPolarHBondContact OE1-CE2 3.25Å; Y368-Y370 PolarHBondContact O-N 3.32Å; Y368-R371 WeakPolarHBondContact O-CB 3.18Å; Y368-R371 PolarHBondContact O-N 3.17Å; Y368-S372 PolarHBondContact O-N 3.3Å
369L98.2Very high96.5Very high0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-65.2-43.8-175.1-172.958000111.3T313 I318 A321 H322 I325 S365 R371 S372 S373 L378T313-L369 HydrophobicContact CG2-CD1 4.31Å; T313-L369 WeakPolarHBondContact OG1-CD1 3.19Å; I318-L369 HydrophobicContact CG2-CD1 3.94Å; A321-L369 HydrophobicContact CB-CD1 3.79Å; A321-L369 HydrophobicContact CB-CD2 4.31Å; H322-L369 VanDerWaalsContact CE1-CD1 3.46Å; H322-L369 WeakPolarHBondContact CE1-CD1 3.46Å; I325-L369 HydrophobicContact CB-CD2 4.18Å; I325-L369 HydrophobicContact CG1-CD2 3.91Å; I325-L369 HydrophobicContact CG2-CD2 4.41Å; S365-L369 WeakPolarHBondContact O-CB 2.82Å; S365-L369 PolarHBondContact O-N 3.39Å; L369-R371 PolarHBondContact O-N 2.98Å; L369-S372 PolarHBondContact O-N 3.12Å; L369-S373 PolarHBondContact O-N 3.44Å; L369-S373 PolarHBondContact O-OG 2.93Å; L369-S373 VanDerWaalsContact O-OG 3.08Å; L369-L378 HydrophobicContact CB-CD1 3.96Å; L369-L378 HydrophobicContact CD2-CD1 4.05Å; L369-L378 HydrophobicContact CD2-CD2 3.99Å; L369-L378 HydrophobicContact CG-CD1 3.69Å
370Y96.8Very high96.4Very high36 Ų3633.6 Ų33.614%0.14117%0.165CC..Hα-helixtrans-59.7-37.3176.3179-107.6000111.6L366 Y368 S372 S373 E374 D375 L378 L379 L429 P432L366-Y370 WeakPolarHBondContact O-CB 3.34Å; L366-Y370 PolarHBondContact O-N 3.07Å; Y368-Y370 PolarHBondContact O-N 3.32Å; Y370-S372 PolarHBondContact O-N 3.29Å; Y370-S373 PolarHBondContact O-N 2.84Å; Y370-E374 WeakPolarHBondContact O-CA 3.39Å; Y370-E374 PolarHBondContact O-N 2.9Å; Y370-D375 WeakPolarHBondContact CD2-O 3.11Å; Y370-L378 HydrophobicContact CD2-CB 4.28Å; Y370-L379 HydrophobicContact CD1-CD2 4.08Å; Y370-L379 HydrophobicContact CD2-CD2 4.32Å; Y370-L379 HydrophobicContact CD2-CG 3.96Å; Y370-L379 HydrophobicContact CE1-CD1 4.33Å; Y370-L379 HydrophobicContact CE1-CD2 3.9Å; Y370-L379 HydrophobicContact CE1-CG 4.24Å; Y370-L379 HydrophobicContact CE2-CD1 3.71Å; Y370-L379 HydrophobicContact CE2-CD2 4.14Å; Y370-L379 HydrophobicContact CE2-CG 3.6Å; Y370-L379 HydrophobicContact CG-CD2 4.29Å; Y370-L379 HydrophobicContact CG-CG 4.43Å; Y370-L379 WeakPolarHBondContact OH-CD1 3.25Å; Y370-L429 HydrophobicContact CD1-CD1 4.02Å; Y370-L429 HydrophobicContact CG-CD1 4.01Å; Y370-P432 HydrophobicContact CE1-CB 4.32Å
371R92.1Very high96.4Very high86 Ų8633.6 Ų33.633%0.32517%0.165SC..Hα-helixtrans-62-27.6177.8-83.3-86.134.6161.52.3114M367 Y368 L369 P432 H437M367-R371 WeakPolarHBondContact O-CB 3.47Å; M367-R371 VanDerWaalsContact O-CG 3.3Å; M367-R371 WeakPolarHBondContact O-CG 3.18Å; M367-R371 PolarHBondContact O-N 2.86Å; M367-R371 VanDerWaalsContact O-N 3.16Å; Y368-R371 WeakPolarHBondContact O-CB 3.18Å; Y368-R371 PolarHBondContact O-N 3.17Å; L369-R371 PolarHBondContact O-N 2.98Å; R371-P432 PolarHBondContact NH1-O 2.87Å; R371-H437 WeakPolarHBondContact CD-ND1 3.38Å
372S92.3Very high96.3Very high71 Ų7132.6 Ų32.650%0.49716%0.16SC..Hα-helixtrans-97.9-28.7-178.9-57.80000113.4T313 Y368 L369 Y370T313-S372 VanDerWaalsContact CG2-OG 3.22Å; T313-S372 WeakPolarHBondContact CG2-OG 3.42Å; Y368-S372 PolarHBondContact O-N 3.3Å; L369-S372 PolarHBondContact O-N 3.12Å; Y370-S372 PolarHBondContact O-N 3.29Å
373S94.7Very high96.3Very high38 Ų3832.6 Ų32.627%0.26616%0.161SC..Hα-helixtrans-109.4-22.6-172.873.20000115.1H322 L369 Y370 D375 L378H322-S373 WeakPolarHBondContact CE1-CB 3.32Å; H322-S373 WeakPolarHBondContact NE2-CB 3.36Å; H322-S373 PolarHBondContact NE2-OG 3.26Å; L369-S373 PolarHBondContact O-N 3.44Å; L369-S373 PolarHBondContact O-OG 2.93Å; L369-S373 VanDerWaalsContact O-OG 3.08Å; Y370-S373 PolarHBondContact O-N 2.84Å; S373-D375 PolarHBondContact O-N 3.42Å; S373-D375 VanDerWaalsContact O-N 3.12Å; S373-D375 WeakPolarHBondContact OG-CB 3.42Å; S373-D375 PolarHBondContact OG-N 3.39Å; S373-L378 WeakPolarHBondContact OG-CD1 3.42Å
374E92.9Very high96.1Very high135 Ų13535.9 Ų35.963%0.63118%0.176SC*.  trans53.425.1-171.8-57.2-176.1170.900113.1Y370 P376Y370-E374 WeakPolarHBondContact O-CA 3.39Å; Y370-E374 PolarHBondContact O-N 2.9Å; E374-P376 VanDerWaalsContact O-CD 3.32Å; E374-P376 WeakPolarHBondContact O-CD 3.37Å
375D94.1Very high96.1Very high51 Ų5135.8 Ų35.827%0.27318%0.176SC..  trans-71.8115.5-179.7-178.4-5.5000110.9H322 Y370 S373 L377 L378H322-D375 IonicContact CD2-OD2 3.9Å; Y370-D375 WeakPolarHBondContact CD2-O 3.11Å; S373-D375 PolarHBondContact O-N 3.42Å; S373-D375 VanDerWaalsContact O-N 3.12Å; S373-D375 WeakPolarHBondContact OG-CB 3.42Å; S373-D375 PolarHBondContact OG-N 3.39Å; D375-L377 PolarHBondContact O-N 3.13Å; D375-L377 VanDerWaalsContact O-N 3.13Å; D375-L377 VanDerWaalsContact OD1-CB 3.26Å; D375-L377 WeakPolarHBondContact OD1-CB 3.5Å; D375-L377 PolarHBondContact OD1-N 3.21Å; D375-L378 HydrophobicContact CB-CD1 3.99Å; D375-L378 HydrophobicContact CB-CG 4.14Å; D375-L378 WeakPolarHBondContact O-CB 3.32Å; D375-L378 PolarHBondContact O-N 2.82Å
376P93.7Very high96.1Very high45 Ų4535.8 Ų35.829%0.29218%0.176SC..Hα-helixtrans-64.6-16.3-178.927.4-36000114.1C15 E374 L378 L379 R380C15-P376 HydrophobicContact CB-CB 3.95Å; C15-P376 HydrophobicContact CB-CG 4.08Å; E374-P376 VanDerWaalsContact O-CD 3.32Å; E374-P376 WeakPolarHBondContact O-CD 3.37Å; P376-L378 PolarHBondContact O-N 2.68Å; P376-L379 PolarHBondContact O-N 3.44Å; P376-R380 PolarHBondContact O-N 3.17Å; P376-R380 VanDerWaalsContact O-N 3.14Å
377L94.5Very high96.1Very high52 Ų5240.3 Ų40.327%0.27220%0.197SC..Hα-helixtrans-57.6-38171.3175.860.5000111.2L326 D375 L379 R380 M381L326-L377 HydrophobicContact CD2-CD2 3.64Å; D375-L377 PolarHBondContact O-N 3.13Å; D375-L377 VanDerWaalsContact O-N 3.13Å; D375-L377 VanDerWaalsContact OD1-CB 3.26Å; D375-L377 WeakPolarHBondContact OD1-CB 3.5Å; D375-L377 PolarHBondContact OD1-N 3.21Å; L377-L379 PolarHBondContact O-N 2.99Å; L377-R380 WeakPolarHBondContact O-CB 3.37Å; L377-R380 PolarHBondContact O-N 2.63Å; L377-R380 VanDerWaalsContact O-N 3.1Å; L377-M381 HydrophobicContact CD1-CG 4.44Å; L377-M381 HydrophobicContact CG-SD 4.27Å; L377-M381 WeakPolarHBondContact O-CG 3.24Å; L377-M381 PolarHBondContact O-N 2.92Å
378L97.3Very high96.1Very high1 Ų140.7 Ų40.71%0.00520%0.2CC..Hα-helixtrans-68.6-37.6-176.2-55.7173000111.6I325 L366 L369 Y370 S373 D375 P376 R380 M381 G382I325-L378 HydrophobicContact CG2-CD2 3.68Å; L366-L378 HydrophobicContact CD2-CB 4.16Å; L366-L378 HydrophobicContact CD2-CD2 3.72Å; L369-L378 HydrophobicContact CB-CD1 3.96Å; L369-L378 HydrophobicContact CD2-CD1 4.05Å; L369-L378 HydrophobicContact CD2-CD2 3.99Å; L369-L378 HydrophobicContact CG-CD1 3.69Å; Y370-L378 HydrophobicContact CD2-CB 4.28Å; S373-L378 WeakPolarHBondContact OG-CD1 3.42Å; D375-L378 HydrophobicContact CB-CD1 3.99Å; D375-L378 HydrophobicContact CB-CG 4.14Å; D375-L378 WeakPolarHBondContact O-CB 3.32Å; D375-L378 PolarHBondContact O-N 2.82Å; P376-L378 PolarHBondContact O-N 2.68Å; L378-R380 VanDerWaalsContact C-N 3.33Å; L378-M381 HydrophobicContact CD2-SD 4.29Å; L378-M381 PolarHBondContact O-N 3.37Å; L378-G382 PolarHBondContact O-N 3.38Å
379L97.1Very high96.1Very high1 Ų139.4 Ų39.41%0.00520%0.196CC..Hα-helixtrans-64.2-39.5170.3-66.7179.8000111.6F16 Y370 P376 L377 G382 A383 L429 F430F16-L379 HydrophobicContact CB-CD1 3.69Å; F16-L379 HydrophobicContact CD1-CB 4.19Å; F16-L379 HydrophobicContact CD1-CD1 3.7Å; F16-L379 HydrophobicContact CD2-CB 3.97Å; F16-L379 HydrophobicContact CE1-CB 4.3Å; F16-L379 HydrophobicContact CE1-CD1 4.4Å; F16-L379 HydrophobicContact CE2-CB 4.12Å; F16-L379 HydrophobicContact CG-CB 3.98Å; F16-L379 HydrophobicContact CG-CD1 3.74Å; F16-L379 HydrophobicContact CZ-CB 4.26Å; Y370-L379 HydrophobicContact CD1-CD2 4.08Å; Y370-L379 HydrophobicContact CD2-CD2 4.32Å; Y370-L379 HydrophobicContact CD2-CG 3.96Å; Y370-L379 HydrophobicContact CE1-CD1 4.33Å; Y370-L379 HydrophobicContact CE1-CD2 3.9Å; Y370-L379 HydrophobicContact CE1-CG 4.24Å; Y370-L379 HydrophobicContact CE2-CD1 3.71Å; Y370-L379 HydrophobicContact CE2-CD2 4.14Å; Y370-L379 HydrophobicContact CE2-CG 3.6Å; Y370-L379 HydrophobicContact CG-CD2 4.29Å; Y370-L379 HydrophobicContact CG-CG 4.43Å; Y370-L379 WeakPolarHBondContact OH-CD1 3.25Å; P376-L379 PolarHBondContact O-N 3.44Å; L377-L379 PolarHBondContact O-N 2.99Å; L379-G382 PolarHBondContact O-N 3.21Å; L379-A383 WeakPolarHBondContact O-CB 3.26Å; L379-A383 PolarHBondContact O-N 3.41Å; L379-L429 HydrophobicContact CD2-CD1 3.87Å; L379-L429 HydrophobicContact CD2-CG 3.99Å; L379-F430 HydrophobicContact CB-CE1 4.12Å; L379-F430 HydrophobicContact CD2-CD1 3.95Å; L379-F430 HydrophobicContact CD2-CE1 3.84Å; L379-F430 VanDerWaalsContact O-CZ 3.31Å; L379-F430 WeakPolarHBondContact O-CZ 3.48Å
380R95.3Very high96.1Very high123 Ų12341.7 Ų41.746%0.46421%0.206SC..Hα-helixtrans-64.8-40.3177-162.8-177.3-69.2-144.40.2111.6C15 P376 L377 L378 A383 H384C15-R380 PolarHBondContact SG-NH2 3.21Å; C15-R380 VanDerWaalsContact SG-NH2 3.39Å; P376-R380 PolarHBondContact O-N 3.17Å; P376-R380 VanDerWaalsContact O-N 3.14Å; L377-R380 WeakPolarHBondContact O-CB 3.37Å; L377-R380 PolarHBondContact O-N 2.63Å; L377-R380 VanDerWaalsContact O-N 3.1Å; L378-R380 VanDerWaalsContact C-N 3.33Å; R380-A383 WeakPolarHBondContact O-CB 3.23Å; R380-A383 PolarHBondContact O-N 3.06Å; R380-H384 PolarHBondContact O-CD2 3.33Å; R380-H384 VanDerWaalsContact O-CG 3.29Å; R380-H384 PolarHBondContact O-N 3Å
381M97.7Very high96.2Very high1 Ų150.5 Ų50.51%0.00524%0.239CC..Hα-helixtrans-61.3-47173.3-67.1174.369.400111.5I325 N329 L332 L366 L377 L378 A383 H384 M385I325-M381 HydrophobicContact CG2-CE 3.91Å; I325-M381 HydrophobicContact CG2-SD 3.85Å; N329-M381 HydrophobicContact CB-CE 3.53Å; N329-M381 HydrophobicContact CB-SD 3.95Å; N329-M381 WeakPolarHBondContact OD1-CG 3.34Å; L332-M381 HydrophobicContact CD1-CB 4.13Å; L332-M381 HydrophobicContact CD1-CE 3.69Å; L332-M381 HydrophobicContact CD1-CG 4.47Å; L366-M381 HydrophobicContact CD1-CB 3.82Å; L366-M381 HydrophobicContact CD2-CB 3.95Å; L366-M381 HydrophobicContact CD2-CE 3.93Å; L366-M381 HydrophobicContact CD2-SD 3.86Å; L377-M381 HydrophobicContact CD1-CG 4.44Å; L377-M381 HydrophobicContact CG-SD 4.27Å; L377-M381 WeakPolarHBondContact O-CG 3.24Å; L377-M381 PolarHBondContact O-N 2.92Å; L378-M381 HydrophobicContact CD2-SD 4.29Å; L378-M381 PolarHBondContact O-N 3.37Å; M381-A383 VanDerWaalsContact C-N 3.3Å; M381-A383 PolarHBondContact O-N 3.31Å; M381-H384 PolarHBondContact O-N 3.16Å; M381-M385 WeakPolarHBondContact O-CG 3.5Å; M381-M385 PolarHBondContact O-N 2.91Å
382G97.9Very high96.4Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-61.2-37.9176.100000112.9L378 L379 M385 I386L378-G382 PolarHBondContact O-N 3.38Å; L379-G382 PolarHBondContact O-N 3.21Å; G382-M385 PolarHBondContact O-N 3.11Å; G382-I386 WeakPolarHBondContact O-CG1 3.23Å; G382-I386 PolarHBondContact O-N 2.83Å
383A97.1Very high96.7Very high4 Ų444 Ų443%0.03321%0.207CC..Hα-helixtrans-64.4-45.5176.300000111.2F16 F24 L379 R380 M381 M385 I386 E387 F430F16-A383 HydrophobicContact CE2-CB 4.47Å; F16-A383 HydrophobicContact CZ-CB 4.29Å; F24-A383 HydrophobicContact CD1-CB 4.14Å; F24-A383 HydrophobicContact CD2-CB 4.19Å; F24-A383 HydrophobicContact CE1-CB 3.64Å; F24-A383 HydrophobicContact CE2-CB 3.7Å; F24-A383 HydrophobicContact CG-CB 4.41Å; F24-A383 HydrophobicContact CZ-CB 3.41Å; F24-A383 VanDerWaalsContact CZ-CB 3.41Å; L379-A383 WeakPolarHBondContact O-CB 3.26Å; L379-A383 PolarHBondContact O-N 3.41Å; R380-A383 WeakPolarHBondContact O-CB 3.23Å; R380-A383 PolarHBondContact O-N 3.06Å; M381-A383 VanDerWaalsContact C-N 3.3Å; M381-A383 PolarHBondContact O-N 3.31Å; A383-M385 VanDerWaalsContact C-N 3.31Å; A383-M385 PolarHBondContact O-N 3.11Å; A383-I386 PolarHBondContact O-N 2.97Å; A383-E387 WeakPolarHBondContact O-CG 3.5Å; A383-E387 PolarHBondContact O-N 2.8Å; A383-F430 HydrophobicContact CB-CZ 4.14Å
384H96.2Very high96.9Very high69 Ų6946.8 Ų46.832%0.31921%0.214SC..Hα-helixtrans-59.8-41.2174.9-68.2-173.7000111.6R380 M381 E387 A388R380-H384 PolarHBondContact O-CD2 3.33Å; R380-H384 VanDerWaalsContact O-CG 3.29Å; R380-H384 PolarHBondContact O-N 3Å; M381-H384 PolarHBondContact O-N 3.16Å; H384-E387 PolarHBondContact O-N 2.85Å; H384-A388 WeakPolarHBondContact O-CB 3.23Å; H384-A388 PolarHBondContact O-N 3.16Å
385M98.1Very high97.1Very high4 Ų441.5 Ų41.52%0.0219%0.191CC..Hα-helixtrans-61.1-46.7175.8-70.8176.668.400111.8L332 L362 A363 L366 M381 G382 A383 E387 A388 I389L332-M385 HydrophobicContact CD1-CG 4.11Å; L332-M385 HydrophobicContact CD1-SD 4.35Å; L332-M385 HydrophobicContact CD2-CG 3.69Å; L332-M385 HydrophobicContact CD2-SD 4.48Å; L362-M385 HydrophobicContact CB-CE 4.18Å; L362-M385 HydrophobicContact CB-SD 4.43Å; L362-M385 HydrophobicContact CD2-CE 4.46Å; L362-M385 HydrophobicContact CD2-SD 4.01Å; L362-M385 HydrophobicContact CG-CE 4.36Å; L362-M385 HydrophobicContact CG-SD 3.96Å; A363-M385 HydrophobicContact CB-CE 4.02Å; L366-M385 HydrophobicContact CD1-SD 3.7Å; M381-M385 WeakPolarHBondContact O-CG 3.5Å; M381-M385 PolarHBondContact O-N 2.91Å; G382-M385 PolarHBondContact O-N 3.11Å; A383-M385 VanDerWaalsContact C-N 3.31Å; A383-M385 PolarHBondContact O-N 3.11Å; M385-E387 VanDerWaalsContact C-N 3.32Å; M385-E387 PolarHBondContact O-N 2.76Å; M385-A388 PolarHBondContact O-N 3.26Å; M385-I389 WeakPolarHBondContact O-CB 3.1Å; M385-I389 VanDerWaalsContact O-CG1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.12Å; M385-I389 PolarHBondContact O-N 2.65Å
386I98.5Very high97.2Very high0 Ų046.3 Ų46.30%022%0.217CC..Hα-helixtrans-60.1-44.2178.1-68.6162.2000110.8F24 K27 V28 I31 G382 A383 E390 L426 F430F24-I386 HydrophobicContact CB-CD1 4.1Å; F24-I386 HydrophobicContact CD1-CB 4.33Å; F24-I386 HydrophobicContact CD1-CD1 3.79Å; F24-I386 HydrophobicContact CD1-CG2 4.23Å; F24-I386 HydrophobicContact CG-CD1 4.33Å; K27-I386 HydrophobicContact CD-CG2 3.73Å; K27-I386 HydrophobicContact CG-CG2 4.02Å; V28-I386 HydrophobicContact CG2-CD1 3.34Å; V28-I386 HydrophobicContact CG2-CG1 3.74Å; I31-I386 HydrophobicContact CD1-CG2 3.84Å; G382-I386 WeakPolarHBondContact O-CG1 3.23Å; G382-I386 PolarHBondContact O-N 2.83Å; A383-I386 PolarHBondContact O-N 2.97Å; I386-E390 WeakPolarHBondContact O-CB 3.18Å; I386-E390 PolarHBondContact O-N 3.26Å; I386-L426 HydrophobicContact CD1-CD2 4.42Å; I386-L426 HydrophobicContact CG1-CB 4.47Å; I386-L426 HydrophobicContact CG1-CD1 3.88Å; I386-L426 HydrophobicContact CG1-CD2 4.14Å; I386-L426 HydrophobicContact CG1-CG 4.4Å; I386-F430 HydrophobicContact CD1-CD2 3.74Å; I386-F430 HydrophobicContact CD1-CE2 3.3Å; I386-F430 HydrophobicContact CD1-CZ 4.2Å
387E97.9Very high97.3Very high96 Ų9644.6 Ų44.645%0.44921%0.206SC..Hα-helixtrans-65.9-40178.6-70.9173.8170.700112.3F24 A383 H384 M385 R391F24-E387 HydrophobicContact CE1-CG 4.3Å; A383-E387 WeakPolarHBondContact O-CG 3.5Å; A383-E387 PolarHBondContact O-N 2.8Å; H384-E387 PolarHBondContact O-N 2.85Å; M385-E387 VanDerWaalsContact C-N 3.32Å; M385-E387 PolarHBondContact O-N 2.76Å; E387-R391 VanDerWaalsContact O-CB 3.23Å; E387-R391 WeakPolarHBondContact O-CB 3.49Å; E387-R391 PolarHBondContact O-N 3.02Å
388A97.9Very high97.5Very high12 Ų1242.1 Ų42.110%0.09919%0.193CC..Hα-helixtrans-65.7-45.317600000111.9G336 M337 H384 M385 E390 R391 C392G336-A388 VanDerWaalsContact O-CB 3.28Å; G336-A388 WeakPolarHBondContact O-CB 3.41Å; M337-A388 HydrophobicContact CE-CB 4.12Å; H384-A388 WeakPolarHBondContact O-CB 3.23Å; H384-A388 PolarHBondContact O-N 3.16Å; M385-A388 PolarHBondContact O-N 3.26Å; A388-E390 PolarHBondContact O-N 3.37Å; A388-R391 PolarHBondContact O-N 3.45Å; A388-C392 WeakPolarHBondContact O-CB 3.02Å; A388-C392 PolarHBondContact O-N 2.76Å
389I98.4Very high97.6Very high3 Ų342.1 Ų42.12%0.01519%0.193CC..Hα-helixtrans-58.6-49.2175.3-70.2163.9000110.1Y356 L358 M385 R391 S393 K394 Y399 F418 T422 L426Y356-I389 HydrophobicContact CE1-CG1 4.17Å; L358-I389 HydrophobicContact CD2-CG1 4.36Å; L358-I389 HydrophobicContact CD2-CG2 4.3Å; M385-I389 WeakPolarHBondContact O-CB 3.1Å; M385-I389 VanDerWaalsContact O-CG1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.12Å; M385-I389 PolarHBondContact O-N 2.65Å; I389-R391 VanDerWaalsContact C-N 3.29Å; I389-R391 PolarHBondContact O-N 3.01Å; I389-S393 WeakPolarHBondContact O-CA 3.33Å; I389-S393 VanDerWaalsContact O-CB 3.28Å; I389-S393 WeakPolarHBondContact O-CB 3.48Å; I389-S393 PolarHBondContact O-N 3.4Å; I389-K394 PolarHBondContact O-N 2.79Å; I389-Y399 HydrophobicContact CG2-CD1 3.64Å; I389-Y399 HydrophobicContact CG2-CE1 4.01Å; I389-F418 HydrophobicContact CD1-CE2 4.47Å; I389-F418 HydrophobicContact CG2-CE2 4.08Å; I389-F418 HydrophobicContact CG2-CZ 3.96Å; I389-T422 HydrophobicContact CD1-CG2 4.05Å; I389-L426 HydrophobicContact CD1-CD1 4.11Å
390E97.9Very high97.6Very high47 Ų4742 Ų4222%0.2219%0.192CC..Hα-helixtrans-62.9-36.6-178.9-169.267.2-177.200112.3I31 I386 A388 K394 Y399I31-E390 WeakPolarHBondContact CG1-OE2 3.47Å; I386-E390 WeakPolarHBondContact O-CB 3.18Å; I386-E390 PolarHBondContact O-N 3.26Å; A388-E390 PolarHBondContact O-N 3.37Å; E390-K394 WeakPolarHBondContact O-CB 3.14Å; E390-K394 VanDerWaalsContact OE1-CD 3.26Å; E390-K394 WeakPolarHBondContact OE1-CD 3.4Å; E390-K394 WeakPolarHBondContact OE1-CE 3.42Å; E390-K394 IonicContact OE1-NZ 2.66Å; E390-K394 PolarHBondContact OE1-NZ 2.8Å; E390-Y399 VanDerWaalsContact OE2-CE1 3.26Å; E390-Y399 WeakPolarHBondContact OE2-CE1 3.47Å; E390-Y399 PolarHBondContact OE2-OH 3.1Å
391R97.6Very high97.8Very high222 Ų22236.6 Ų36.684%0.83817%0.173SC*.Hα-helixtrans-80.3-41.3-178.5179.8178.3174.5167.4-1.9113.4E387 A388 I389E387-R391 VanDerWaalsContact O-CB 3.23Å; E387-R391 WeakPolarHBondContact O-CB 3.49Å; E387-R391 PolarHBondContact O-N 3.02Å; A388-R391 PolarHBondContact O-N 3.45Å; I389-R391 VanDerWaalsContact C-N 3.29Å; I389-R391 PolarHBondContact O-N 3.01Å
392C98Very high97.8Very high21 Ų2136.6 Ų36.614%0.14217%0.173CC..Hα-helixtrans-103-24.1-166.4-62.10000113.2M337 A388 V402 H408 I410M337-C392 HydrophobicContact CE-CB 3.81Å; A388-C392 WeakPolarHBondContact O-CB 3.02Å; A388-C392 PolarHBondContact O-N 2.76Å; C392-V402 HydrophobicContact CB-CG2 4.27Å; C392-H408 HydrophobicContact CB-CB 4.37Å; C392-I410 WeakPolarHBondContact O-CG2 3.47Å
393S98.3Very high97.8Very high0 Ų043.6 Ų43.60%020%0.2CC..THydrogen-bonded Turntrans-109.9-23.4-174.4-660000113.6L358 I389 T395 Y399 A400 V402L358-S393 WeakPolarHBondContact CD2-OG 3.18Å; I389-S393 WeakPolarHBondContact O-CA 3.33Å; I389-S393 VanDerWaalsContact O-CB 3.28Å; I389-S393 WeakPolarHBondContact O-CB 3.48Å; I389-S393 PolarHBondContact O-N 3.4Å; S393-T395 PolarHBondContact O-N 3.32Å; S393-Y399 CarbonylContact O-C 3.54Å; S393-Y399 WeakPolarHBondContact O-CA 3.29Å; S393-A400 WeakPolarHBondContact CB-O 3.32Å; S393-A400 PolarHBondContact O-N 3.27Å; S393-A400 PolarHBondContact OG-O 3.22Å; S393-V402 WeakPolarHBondContact OG-CG2 3.38Å
394K98.4Very high97.8Very high96 Ų9644.1 Ų44.142%0.41720%0.204SC..EExtended strand (participates in β ladder)trans-63.2134.7-175.3-170.7172.6-168.9171.50112.5I389 E390 Y399I389-K394 PolarHBondContact O-N 2.79Å; E390-K394 WeakPolarHBondContact O-CB 3.14Å; E390-K394 VanDerWaalsContact OE1-CD 3.26Å; E390-K394 WeakPolarHBondContact OE1-CD 3.4Å; E390-K394 WeakPolarHBondContact OE1-CE 3.42Å; E390-K394 IonicContact OE1-NZ 2.66Å; E390-K394 PolarHBondContact OE1-NZ 2.8Å; K394-Y399 HydrophobicContact CB-CD1 4.18Å; K394-Y399 HydrophobicContact CB-CE1 3.84Å; K394-Y399 HydrophobicContact CD-CE1 4.42Å; K394-Y399 HydrophobicContact CG-CE1 4.09Å
395T98.1Very high97.9Very high24 Ų2440.9 Ų40.915%0.14719%0.189CC..EExtended strand (participates in β ladder)trans-125.8-174.1174.475.10000110.4P51 I52 S393 C397 G398 A400 I410P51-T395 VanDerWaalsContact C-OG1 3.3Å; P51-T395 HydrophobicContact CB-CG2 4.22Å; P51-T395 WeakPolarHBondContact CB-OG1 3.35Å; P51-T395 WeakPolarHBondContact O-CB 3.48Å; P51-T395 PolarHBondContact O-OG1 3.43Å; I52-T395 HydrophobicContact CG1-CG2 3.97Å; S393-T395 PolarHBondContact O-N 3.32Å; T395-C397 VanDerWaalsContact C-N 3.26Å; T395-C397 PolarHBondContact O-N 3.28Å; T395-C397 PolarHBondContact OG1-N 3.18Å; T395-G398 PolarHBondContact N-O 3.12Å; T395-G398 PolarHBondContact OG1-N 2.85Å; T395-G398 PolarHBondContact OG1-O 3.33Å; T395-A400 HydrophobicContact CG2-CB 3.78Å; T395-I410 HydrophobicContact CG2-CD1 4.17Å
396N95Very high97.8Very high152 Ų15244.6 Ų44.681%0.81321%0.205SC*.THydrogen-bonded Turntrans-65.4-29.4173.8-69.1-21.2000113.3
397C97Very high97.7Very high8 Ų849.6 Ų49.65%0.05423%0.232CC..THydrogen-bonded Turntrans-12117.7-171.9-64.50000113.1N38 F42 L49 P51 C54 T395N38-C397 HydrophobicContact CB-CB 4.42Å; N38-C397 WeakPolarHBondContact CB-O 3.29Å; N38-C397 VanDerWaalsContact CG-C 3.48Å; F42-C397 HydrophobicContact CD2-CB 4.18Å; F42-C397 HydrophobicContact CE2-CB 4.43Å; L49-C397 WeakPolarHBondContact CD2-O 3.38Å; P51-C397 WeakPolarHBondContact O-CB 3.45Å; C54-C397 HydrophobicContact CB-CB 3.79Å; C54-C397 WeakPolarHBondContact CB-SG 3.41Å; C54-C397 WeakPolarHBondContact SG-CB 3.38Å; C54-C397 CovalentContact SG-SG 2.02Å; C54-C397 PolarHBondContact SG-SG 3.22Å; T395-C397 VanDerWaalsContact C-N 3.26Å; T395-C397 PolarHBondContact O-N 3.28Å; T395-C397 PolarHBondContact OG1-N 3.18Å
398G97.8Very high97.6Very high0 Ų048.7 Ų48.70%023%0.227CC..EExtended strand (participates in β ladder)trans143.9-140.6176.200000112.5T395T395-G398 PolarHBondContact N-O 3.12Å; T395-G398 PolarHBondContact OG1-N 2.85Å; T395-G398 PolarHBondContact OG1-O 3.33Å
399Y98.6Very high97.6Very high1 Ų150 Ų500%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-129.5118.6-174.2-66.7-98.8000110.4I31 N34 A35 L358 I389 E390 S393 K394 M414 F418I31-Y399 HydrophobicContact CB-CE2 4.37Å; I31-Y399 HydrophobicContact CG1-CE1 4.28Å; I31-Y399 WeakPolarHBondContact CG1-OH 3.36Å; I31-Y399 HydrophobicContact CG2-CD2 4.29Å; I31-Y399 HydrophobicContact CG2-CE1 4.03Å; I31-Y399 HydrophobicContact CG2-CE2 3.79Å; N34-Y399 HydrophobicContact CB-CE2 4.37Å; A35-Y399 HydrophobicContact CB-CD2 3.94Å; A35-Y399 HydrophobicContact CB-CE2 4.35Å; L358-Y399 WeakPolarHBondContact CD1-O 3.5Å; I389-Y399 HydrophobicContact CG2-CD1 3.64Å; I389-Y399 HydrophobicContact CG2-CE1 4.01Å; E390-Y399 VanDerWaalsContact OE2-CE1 3.26Å; E390-Y399 WeakPolarHBondContact OE2-CE1 3.47Å; E390-Y399 PolarHBondContact OE2-OH 3.1Å; S393-Y399 CarbonylContact O-C 3.54Å; S393-Y399 WeakPolarHBondContact O-CA 3.29Å; K394-Y399 HydrophobicContact CB-CD1 4.18Å; K394-Y399 HydrophobicContact CB-CE1 3.84Å; K394-Y399 HydrophobicContact CD-CE1 4.42Å; K394-Y399 HydrophobicContact CG-CE1 4.09Å; Y399-M414 WeakPolarHBondContact O-CB 3.29Å; Y399-M414 WeakPolarHBondContact O-CG 3.47Å; Y399-F418 HydrophobicContact CD1-CE1 4.39Å; Y399-F418 HydrophobicContact CD1-CZ 4.13Å; Y399-F418 AromaticContact CD2-CE1 3.62Å; Y399-F418 HydrophobicContact CD2-CE1 3.62Å; Y399-F418 HydrophobicContact CD2-CZ 4.12Å; Y399-F418 HydrophobicContact CE2-CE1 4.47Å; Y399-F418 AromaticContact CG-CE1 3.59Å; Y399-F418 HydrophobicContact CG-CE1 3.59Å; Y399-F418 AromaticContact CG-CZ 3.78Å; Y399-F418 HydrophobicContact CG-CZ 3.78Å
400A98.4Very high97.6Very high0 Ų053.2 Ų53.20%025%0.252CS..  trans-85143.5-179.400000112.5P51 I52 S393 T395 V402 I410 E411 R413P51-A400 HydrophobicContact CG-CB 3.81Å; I52-A400 HydrophobicContact CG1-CB 4.39Å; S393-A400 WeakPolarHBondContact CB-O 3.32Å; S393-A400 PolarHBondContact O-N 3.27Å; S393-A400 PolarHBondContact OG-O 3.22Å; T395-A400 HydrophobicContact CG2-CB 3.78Å; A400-V402 PolarHBondContact O-N 3.29Å; A400-I410 HydrophobicContact CB-CB 3.89Å; A400-I410 HydrophobicContact CB-CD1 4.21Å; A400-I410 HydrophobicContact CB-CG2 4.2Å; A400-E411 WeakPolarHBondContact CB-O 3.39Å; A400-R413 CarbonylContact C-O 3.57Å
401T98.5Very high97.6Very high9 Ų955.2 Ų55.26%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-50.1131.4158.7-740000109.5P357 Y403 I410 E411 R413P357-T401 WeakPolarHBondContact CA-OG1 3.49Å; P357-T401 HydrophobicContact CB-CG2 3.94Å; T401-Y403 PolarHBondContact O-N 3.37Å; T401-I410 CarbonylContact O-C 3.46Å; T401-I410 WeakPolarHBondContact O-CA 3.36Å; T401-E411 HydrophobicContact CG2-CB 4.26Å; T401-E411 PolarHBondContact O-N 3.23Å; T401-R413 PolarHBondContact N-O 2.87Å; T401-R413 PolarHBondContact OG1-O 3.3Å
402V98.5Very high97.6Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-80.4112.9168.3177.50000106.9M337 G355 Y356 C392 S393 A400 S404 V405 S409M337-V402 HydrophobicContact CE-CG2 4.15Å; M337-V402 HydrophobicContact SD-CB 3.87Å; M337-V402 HydrophobicContact SD-CG1 3.95Å; M337-V402 HydrophobicContact SD-CG2 3.68Å; G355-V402 CarbonylContact C-O 3.46Å; G355-V402 WeakPolarHBondContact CA-O 3.42Å; Y356-V402 PolarHBondContact N-O 2.7Å; Y356-V402 PolarHBondContact O-N 2.97Å; C392-V402 HydrophobicContact CB-CG2 4.27Å; S393-V402 WeakPolarHBondContact OG-CG2 3.38Å; A400-V402 PolarHBondContact O-N 3.29Å; V402-S404 VanDerWaalsContact C-N 3.31Å; V402-S404 WeakPolarHBondContact CG1-O 3.46Å; V402-S404 PolarHBondContact O-N 2.98Å; V402-V405 HydrophobicContact CG1-CG1 4.49Å; V402-S409 CarbonylContact C-O 3.56Å; V402-S409 WeakPolarHBondContact CA-O 3.42Å
403Y97.8Very high97.5Very high148 Ų14848.6 Ų48.658%0.5824%0.236SC*.EExtended strand (participates in β ladder)trans-64.3-37.4179.7176.5-101.6000112.1G355 T401 S409G355-Y403 WeakPolarHBondContact CA-O 3.46Å; G355-Y403 PolarHBondContact N-O 3.48Å; T401-Y403 PolarHBondContact O-N 3.37Å; Y403-S409 PolarHBondContact N-O 2.89Å
404S98Very high97.5Very high15 Ų1548.6 Ų48.611%0.10524%0.236CC..EExtended strand (participates in β ladder)trans-145.1121.4177.5164.20000110.8V402 K406 D407 H408 S409V402-S404 VanDerWaalsContact C-N 3.31Å; V402-S404 WeakPolarHBondContact CG1-O 3.46Å; V402-S404 PolarHBondContact O-N 2.98Å; S404-K406 PolarHBondContact O-N 3.24Å; S404-K406 PolarHBondContact OG-N 3.44Å; S404-D407 VanDerWaalsContact CB-OD1 3.29Å; S404-D407 WeakPolarHBondContact CB-OD1 3.37Å; S404-D407 PolarHBondContact O-N 3.22Å; S404-D407 PolarHBondContact OG-OD1 2.88Å; S404-H408 VanDerWaalsContact O-CA 3.26Å; S404-H408 WeakPolarHBondContact O-CA 3.3Å; S404-H408 PolarHBondContact O-N 3.06Å; S404-S409 PolarHBondContact N-O 3.41Å
405V97.9Very high97.3Very high1 Ų145 Ų451%0.00622%0.221CC..THydrogen-bonded Turntrans-68.4-13.6175.1-56.70000113.2Y335 M337 P339 A349 A354 V402 H408Y335-V405 HydrophobicContact CD1-CB 4.32Å; Y335-V405 HydrophobicContact CD1-CG2 3.9Å; Y335-V405 HydrophobicContact CD2-CG2 3.79Å; Y335-V405 HydrophobicContact CE1-CG2 4.23Å; Y335-V405 HydrophobicContact CE2-CG2 4.09Å; Y335-V405 HydrophobicContact CG-CB 4.09Å; Y335-V405 HydrophobicContact CG-CG2 3.69Å; M337-V405 HydrophobicContact CG-CB 4.27Å; M337-V405 HydrophobicContact CG-CG1 3.49Å; M337-V405 VanDerWaalsContact CG-CG1 3.49Å; M337-V405 HydrophobicContact SD-CG1 3.79Å; P339-V405 HydrophobicContact CB-CG1 4.18Å; P339-V405 HydrophobicContact CB-CG2 3.78Å; P339-V405 HydrophobicContact CG-CG2 4.23Å; A349-V405 HydrophobicContact CB-CG2 3.59Å; A354-V405 WeakPolarHBondContact O-CG1 3.46Å; A354-V405 WeakPolarHBondContact O-CG2 3.46Å; A354-V405 PolarHBondContact O-N 3.37Å; V402-V405 HydrophobicContact CG1-CG1 4.49Å; V405-H408 PolarHBondContact O-CE1 2.91Å
406K96.5Very high97.2Very high82 Ų8243.9 Ų43.936%0.35721%0.214SC..THydrogen-bonded Turntrans-73.3-33.7-179.5-62.2-170.3180-169.20112.3E348 A349 S351 S404E348-K406 IonicContact OE2-NZ 2.96Å; E348-K406 PolarHBondContact OE2-NZ 3.26Å; A349-K406 HydrophobicContact CB-CG 4.24Å; A349-K406 WeakPolarHBondContact O-CE 3.3Å; A349-K406 PolarHBondContact O-NZ 3.48Å; S351-K406 PolarHBondContact OG-NZ 3.38Å; S404-K406 PolarHBondContact O-N 3.24Å; S404-K406 PolarHBondContact OG-N 3.44Å
407D96.2Very high97.2Very high105 Ų10537 Ų3756%0.56118%0.177SC*.THydrogen-bonded Turntrans-126.3-2.9-177.261.49.8000113.6S404 S409S404-D407 VanDerWaalsContact CB-OD1 3.29Å; S404-D407 WeakPolarHBondContact CB-OD1 3.37Å; S404-D407 PolarHBondContact O-N 3.22Å; S404-D407 PolarHBondContact OG-OD1 2.88Å; D407-S409 PolarHBondContact O-N 3.48Å; D407-S409 WeakPolarHBondContact OD1-CB 3.18Å; D407-S409 PolarHBondContact OD1-N 3.13Å; D407-S409 PolarHBondContact OD1-OG 3.49Å
408H96.1Very high97.3Very high76 Ų7636.7 Ų36.735%0.35217%0.174SC..THydrogen-bonded Turntrans5628.1-175.4-55.9-63000114Y335 C392 S404 V405Y335-H408 PolarHBondContact O-CE1 3.24Å; Y335-H408 VanDerWaalsContact O-CE1 3.31Å; C392-H408 HydrophobicContact CB-CB 4.37Å; S404-H408 VanDerWaalsContact O-CA 3.26Å; S404-H408 WeakPolarHBondContact O-CA 3.3Å; S404-H408 PolarHBondContact O-N 3.06Å; V405-H408 PolarHBondContact O-CE1 2.91Å
409S97.6Very high97.3Very high40 Ų4036.7 Ų36.728%0.2817%0.174SC..EExtended strand (participates in β ladder)trans-61.6144.6165.954.20000110.1V402 Y403 S404 D407V402-S409 CarbonylContact C-O 3.56Å; V402-S409 WeakPolarHBondContact CA-O 3.42Å; Y403-S409 PolarHBondContact N-O 2.89Å; S404-S409 PolarHBondContact N-O 3.41Å; D407-S409 PolarHBondContact O-N 3.48Å; D407-S409 WeakPolarHBondContact OD1-CB 3.18Å; D407-S409 PolarHBondContact OD1-N 3.13Å; D407-S409 PolarHBondContact OD1-OG 3.49Å
410I98.2Very high97.3Very high70 Ų7036.6 Ų36.636%0.35917%0.174SC..EExtended strand (participates in β ladder)trans-114.2150.9-175.255.9171.3000111.9I52 C392 T395 A400 T401I52-I410 HydrophobicContact CD1-CB 4.41Å; I52-I410 HydrophobicContact CD1-CD1 3.64Å; I52-I410 HydrophobicContact CD1-CG1 3.77Å; I52-I410 HydrophobicContact CG1-CD1 4.04Å; C392-I410 WeakPolarHBondContact O-CG2 3.47Å; T395-I410 HydrophobicContact CG2-CD1 4.17Å; A400-I410 HydrophobicContact CB-CB 3.89Å; A400-I410 HydrophobicContact CB-CD1 4.21Å; A400-I410 HydrophobicContact CB-CG2 4.2Å; T401-I410 CarbonylContact O-C 3.46Å; T401-I410 WeakPolarHBondContact O-CA 3.36Å
411E96.6Very high97.3Very high89 Ų8936.9 Ų36.942%0.41618%0.176SC..EExtended strand (participates in β ladder)trans-113.1145.4174.6-178.7177.917600109.8A400 T401 R413A400-E411 WeakPolarHBondContact CB-O 3.39Å; T401-E411 HydrophobicContact CG2-CB 4.26Å; T401-E411 PolarHBondContact O-N 3.23Å; E411-R413 PolarHBondContact O-N 3.14Å
412D97.7Very high97.3Very high36 Ų3636.5 Ų36.519%0.19317%0.173CC..SBendtrans-77.360.3-175.4-169.123.1000113.1K50 P51 I52 S53K50-D412 WeakPolarHBondContact CA-OD1 3.14Å; K50-D412 WeakPolarHBondContact CB-OD1 3.13Å; K50-D412 WeakPolarHBondContact CE-O 3.36Å; K50-D412 WeakPolarHBondContact CE-OD2 3.31Å; K50-D412 IonicContact NZ-OD2 2.81Å; K50-D412 PolarHBondContact NZ-OD2 2.93Å; P51-D412 VanDerWaalsContact N-OD1 3.15Å; I52-D412 WeakPolarHBondContact CA-OD1 3.25Å; I52-D412 HydrophobicContact CB-CB 4.04Å; I52-D412 VanDerWaalsContact CB-OD1 3.29Å; I52-D412 WeakPolarHBondContact CB-OD1 3.34Å; I52-D412 HydrophobicContact CD1-CB 3.98Å; I52-D412 HydrophobicContact CG1-CB 4.17Å; I52-D412 PolarHBondContact N-OD1 3.3Å; S53-D412 WeakPolarHBondContact CB-OD2 3.42Å; S53-D412 PolarHBondContact N-OD1 3.44Å; S53-D412 VanDerWaalsContact N-OD1 3.11Å; S53-D412 PolarHBondContact N-OD2 2.92Å; S53-D412 PolarHBondContact OG-OD2 3.49Å
413R96.5Very high97.3Very high68 Ų6836.5 Ų36.526%0.25717%0.173SC..  trans-144.4134.4-179.4-175.5160.2-171.7-140.2-1.5111E48 M57 A400 T401 E411 E415E48-R413 IonicContact OE2-NE 3.93Å; E48-R413 IonicContact OE2-NH2 3.15Å; M57-R413 HydrophobicContact CE-CG 3.66Å; A400-R413 CarbonylContact C-O 3.57Å; T401-R413 PolarHBondContact N-O 2.87Å; T401-R413 PolarHBondContact OG1-O 3.3Å; E411-R413 PolarHBondContact O-N 3.14Å; R413-E415 IonicContact CZ-OE1 2.8Å; R413-E415 IonicContact CZ-OE2 3.87Å; R413-E415 IonicContact NE-OE1 3.14Å; R413-E415 PolarHBondContact NE-OE1 3.34Å; R413-E415 IonicContact NE-OE2 2.68Å; R413-E415 IonicContact NH1-OE1 3.45Å; R413-E415 PolarHBondContact NH1-OE1 3.44Å; R413-E415 IonicContact NH2-OE1 3.61Å; R413-E415 PolarHBondContact NH2-OE1 3.2Å; R413-E415 IonicContact NH2-OE2 3.45Å; R413-E415 PolarHBondContact NH2-OE2 3.46Å
414M97.5Very high97.4Very high1 Ų129.5 Ų29.51%0.00515%0.146CC..BIsolated β-bridgetrans-126107.7167.7-172.3174.285.200108A35 L49 P51 L358 Y399 F418 L419A35-M414 HydrophobicContact CB-CE 3.96Å; A35-M414 HydrophobicContact CB-SD 3.86Å; L49-M414 HydrophobicContact CB-CB 4.48Å; L49-M414 HydrophobicContact CB-CE 3.96Å; L49-M414 HydrophobicContact CD2-CE 3.6Å; L49-M414 HydrophobicContact CD2-SD 4.27Å; L49-M414 HydrophobicContact CG-CE 4.36Å; L49-M414 WeakPolarHBondContact O-CB 3.45Å; L49-M414 PolarHBondContact O-N 2.96Å; P51-M414 HydrophobicContact CG-CB 4.08Å; L358-M414 HydrophobicContact CD1-CG 4.41Å; Y399-M414 WeakPolarHBondContact O-CB 3.29Å; Y399-M414 WeakPolarHBondContact O-CG 3.47Å; M414-F418 HydrophobicContact CG-CB 4.5Å; M414-F418 HydrophobicContact CG-CD1 4.19Å; M414-F418 HydrophobicContact SD-CD1 4.06Å; M414-L419 HydrophobicContact CE-CD1 4.41Å
415E95.3Very high97.4Very high19 Ų1928.8 Ų28.89%0.08914%0.141CC..  trans-67.8145.5-179-61.6-89.7-16200110.8P357 R413 F417 F418P357-E415 HydrophobicContact CB-CG 4.44Å; R413-E415 IonicContact CZ-OE1 2.8Å; R413-E415 IonicContact CZ-OE2 3.87Å; R413-E415 IonicContact NE-OE1 3.14Å; R413-E415 PolarHBondContact NE-OE1 3.34Å; R413-E415 IonicContact NE-OE2 2.68Å; R413-E415 IonicContact NH1-OE1 3.45Å; R413-E415 PolarHBondContact NH1-OE1 3.44Å; R413-E415 IonicContact NH2-OE1 3.61Å; R413-E415 PolarHBondContact NH2-OE1 3.2Å; R413-E415 IonicContact NH2-OE2 3.45Å; R413-E415 PolarHBondContact NH2-OE2 3.46Å; E415-F417 HydrophobicContact CB-CD1 3.59Å; E415-F417 HydrophobicContact CB-CD2 4.12Å; E415-F417 HydrophobicContact CB-CE1 3.24Å; E415-F417 HydrophobicContact CB-CE2 3.78Å; E415-F417 HydrophobicContact CB-CG 4.03Å; E415-F417 HydrophobicContact CB-CZ 3.34Å; E415-F417 HydrophobicContact CG-CD1 4.31Å; E415-F417 HydrophobicContact CG-CE1 3.46Å; E415-F417 VanDerWaalsContact CG-CE1 3.46Å; E415-F417 HydrophobicContact CG-CE2 4.24Å; E415-F417 HydrophobicContact CG-CZ 3.42Å; E415-F417 VanDerWaalsContact CG-CZ 3.42Å; E415-F417 PolarHBondContact O-N 3.4Å; E415-F418 WeakPolarHBondContact O-CB 3.36Å; E415-F418 PolarHBondContact O-N 3.17Å
416S95.1Very high97.4Very high1 Ų129 Ų291%0.00714%0.142CC..THydrogen-bonded Turntrans-61.4-33.8-177.564.50000112.8S66 D69 R110 F418 L419 A420S66-S416 WeakPolarHBondContact OG-CB 3.46Å; D69-S416 WeakPolarHBondContact OD2-CB 3.14Å; D69-S416 PolarHBondContact OD2-OG 3.13Å; R110-S416 PolarHBondContact NH1-OG 3.12Å; R110-S416 VanDerWaalsContact NH1-OG 3.14Å; S416-F418 PolarHBondContact O-N 3Å; S416-L419 PolarHBondContact O-N 2.98Å; S416-A420 PolarHBondContact O-N 3.19Å
417F96.6Very high97.5Very high8 Ų826 Ų264%0.03513%0.128CC..Hα-helixtrans-60.1-18176.758.7-109.6000113.7P357 R359 E415 L419 A420 E421 T422P357-F417 HydrophobicContact CB-CZ 4.45Å; P357-F417 WeakPolarHBondContact O-CE2 3.34Å; P357-F417 VanDerWaalsContact O-CZ 3.23Å; P357-F417 WeakPolarHBondContact O-CZ 3.28Å; R359-F417 HydrophobicContact CG-CE2 4.31Å; R359-F417 HydrophobicContact CG-CZ 4.35Å; E415-F417 HydrophobicContact CB-CD1 3.59Å; E415-F417 HydrophobicContact CB-CD2 4.12Å; E415-F417 HydrophobicContact CB-CE1 3.24Å; E415-F417 HydrophobicContact CB-CE2 3.78Å; E415-F417 HydrophobicContact CB-CG 4.03Å; E415-F417 HydrophobicContact CB-CZ 3.34Å; E415-F417 HydrophobicContact CG-CD1 4.31Å; E415-F417 HydrophobicContact CG-CE1 3.46Å; E415-F417 VanDerWaalsContact CG-CE1 3.46Å; E415-F417 HydrophobicContact CG-CE2 4.24Å; E415-F417 HydrophobicContact CG-CZ 3.42Å; E415-F417 VanDerWaalsContact CG-CZ 3.42Å; E415-F417 PolarHBondContact O-N 3.4Å; F417-L419 VanDerWaalsContact C-N 3.28Å; F417-L419 PolarHBondContact O-N 2.89Å; F417-A420 PolarHBondContact O-N 3.17Å; F417-E421 HydrophobicContact CB-CB 4.49Å; F417-E421 HydrophobicContact CB-CG 3.97Å; F417-E421 WeakPolarHBondContact CB-OE1 3.36Å; F417-E421 WeakPolarHBondContact O-CA 3.44Å; F417-E421 WeakPolarHBondContact O-CB 3.25Å; F417-E421 PolarHBondContact O-N 3.16Å; F417-T422 PolarHBondContact O-N 3.35Å
418F98.4Very high97.6Very high1 Ų121 Ų210%0.00410%0.102CC..Iπ-helixtrans-61.6-40.6173.6-179.4-119.3000111.7I31 A35 L358 I389 Y399 M414 E415 S416 T422 T423I31-F418 HydrophobicContact CG2-CE1 3.99Å; I31-F418 HydrophobicContact CG2-CZ 3.53Å; A35-F418 HydrophobicContact CB-CD1 4.26Å; A35-F418 HydrophobicContact CB-CE1 4.03Å; L358-F418 HydrophobicContact CB-CB 4.23Å; L358-F418 HydrophobicContact CB-CD2 3.62Å; L358-F418 HydrophobicContact CB-CE2 4.27Å; L358-F418 HydrophobicContact CB-CG 4.13Å; L358-F418 HydrophobicContact CD1-CB 4.2Å; L358-F418 HydrophobicContact CD1-CD1 4.13Å; L358-F418 HydrophobicContact CD1-CD2 3.87Å; L358-F418 HydrophobicContact CD1-CE1 4.49Å; L358-F418 HydrophobicContact CD1-CE2 4.24Å; L358-F418 HydrophobicContact CD1-CG 3.8Å; L358-F418 HydrophobicContact CD2-CD2 4.42Å; L358-F418 HydrophobicContact CD2-CE2 4.27Å; L358-F418 HydrophobicContact CG-CD2 4.19Å; I389-F418 HydrophobicContact CD1-CE2 4.47Å; I389-F418 HydrophobicContact CG2-CE2 4.08Å; I389-F418 HydrophobicContact CG2-CZ 3.96Å; Y399-F418 HydrophobicContact CD1-CE1 4.39Å; Y399-F418 HydrophobicContact CD1-CZ 4.13Å; Y399-F418 AromaticContact CD2-CE1 3.62Å; Y399-F418 HydrophobicContact CD2-CE1 3.62Å; Y399-F418 HydrophobicContact CD2-CZ 4.12Å; Y399-F418 HydrophobicContact CE2-CE1 4.47Å; Y399-F418 AromaticContact CG-CE1 3.59Å; Y399-F418 HydrophobicContact CG-CE1 3.59Å; Y399-F418 AromaticContact CG-CZ 3.78Å; Y399-F418 HydrophobicContact CG-CZ 3.78Å; M414-F418 HydrophobicContact CG-CB 4.5Å; M414-F418 HydrophobicContact CG-CD1 4.19Å; M414-F418 HydrophobicContact SD-CD1 4.06Å; E415-F418 WeakPolarHBondContact O-CB 3.36Å; E415-F418 PolarHBondContact O-N 3.17Å; S416-F418 PolarHBondContact O-N 3Å; F418-T422 HydrophobicContact CD2-CG2 3.96Å; F418-T422 HydrophobicContact CE2-CG2 4.01Å; F418-T423 HydrophobicContact CD2-CG2 4.42Å; F418-T423 HydrophobicContact CE1-CG2 4.12Å; F418-T423 HydrophobicContact CE2-CG2 4.04Å; F418-T423 HydrophobicContact CZ-CG2 3.89Å; F418-T423 WeakPolarHBondContact O-CG2 3.36Å; F418-T423 PolarHBondContact O-N 2.74Å; F418-T423 VanDerWaalsContact O-N 3.12Å; F418-T423 PolarHBondContact O-OG1 3.29Å
419L98.3Very high97.7Very high0 Ų017.5 Ų17.50%09%0.085CC..Iπ-helixtrans-77.3-39175.8-65.8176.8000112.1F32 A35 Y36 A70 T73 M414 S416 F417 T423F32-L419 HydrophobicContact CD2-CB 4.46Å; F32-L419 HydrophobicContact CD2-CD2 3.77Å; F32-L419 HydrophobicContact CE2-CB 4.08Å; F32-L419 HydrophobicContact CE2-CD2 3.89Å; A35-L419 HydrophobicContact CB-CD2 3.55Å; Y36-L419 HydrophobicContact CD2-CD1 4.5Å; A70-L419 HydrophobicContact CB-CB 4.32Å; T73-L419 WeakPolarHBondContact CG2-O 3.45Å; T73-L419 PolarHBondContact OG1-O 3.1Å; M414-L419 HydrophobicContact CE-CD1 4.41Å; S416-L419 PolarHBondContact O-N 2.98Å; F417-L419 VanDerWaalsContact C-N 3.28Å; F417-L419 PolarHBondContact O-N 2.89Å; L419-T423 PolarHBondContact O-OG1 3.36Å
420A97.8Very high97.7Very high0 Ų015.7 Ų15.70%07%0.073CC..Iπ-helixtrans-73.8-35.8-178.200000112.5D69 S416 F417 K424D69-A420 HydrophobicContact CB-CB 3.7Å; D69-A420 WeakPolarHBondContact O-CB 2.94Å; S416-A420 PolarHBondContact O-N 3.19Å; F417-A420 PolarHBondContact O-N 3.17Å; A420-K424 VanDerWaalsContact O-CB 3.3Å; A420-K424 WeakPolarHBondContact O-CB 3.22Å; A420-K424 WeakPolarHBondContact O-CD 3.36Å; A420-K424 WeakPolarHBondContact O-CE 3.41Å; A420-K424 PolarHBondContact O-NZ 3.02Å
421E98.5Very high97.6Very high6 Ų613.2 Ų13.23%0.0286%0.06CC..Iπ-helixtrans-126.3-65.8-161.5-51.4-163.3-106.400112.6P360 F417 T423 K424 Y425 T464 E465 A466P360-E421 HydrophobicContact CB-CB 3.35Å; P360-E421 HydrophobicContact CB-CG 4.42Å; P360-E421 HydrophobicContact CG-CB 3.66Å; P360-E421 HydrophobicContact CG-CG 4.24Å; P360-E421 WeakPolarHBondContact CG-OE2 3.41Å; F417-E421 HydrophobicContact CB-CB 4.49Å; F417-E421 HydrophobicContact CB-CG 3.97Å; F417-E421 WeakPolarHBondContact CB-OE1 3.36Å; F417-E421 WeakPolarHBondContact O-CA 3.44Å; F417-E421 WeakPolarHBondContact O-CB 3.25Å; F417-E421 PolarHBondContact O-N 3.16Å; E421-T423 VanDerWaalsContact C-N 3.34Å; E421-T423 PolarHBondContact O-N 2.92Å; E421-K424 CarbonylContact O-C 3.5Å; E421-K424 WeakPolarHBondContact O-CA 3.42Å; E421-K424 WeakPolarHBondContact O-CB 2.95Å; E421-K424 PolarHBondContact O-N 2.93Å; E421-Y425 HydrophobicContact CB-CD2 4.2Å; E421-Y425 HydrophobicContact CB-CE2 4.06Å; E421-Y425 VanDerWaalsContact O-CD2 3.3Å; E421-Y425 WeakPolarHBondContact O-CD2 3.39Å; E421-Y425 PolarHBondContact O-N 2.95Å; E421-T464 VanDerWaalsContact OE2-O 3.08Å; E421-E465 WeakPolarHBondContact CG-O 3.39Å; E421-E465 WeakPolarHBondContact OE2-CA 3.31Å; E421-A466 HydrophobicContact CB-CB 4Å; E421-A466 HydrophobicContact CG-CB 3.73Å
422T98.8Very high97.2Very high0 Ų011 Ų110%05%0.054CC..Iπ-helixtrans-58.9-47.8-169.6-580000111.1L358 P360 I389 F417 F418 L426L358-T422 PolarHBondContact O-OG1 3.17Å; P360-T422 WeakPolarHBondContact CA-OG1 3.09Å; P360-T422 WeakPolarHBondContact CB-OG1 3.39Å; I389-T422 HydrophobicContact CD1-CG2 4.05Å; F417-T422 PolarHBondContact O-N 3.35Å; F418-T422 HydrophobicContact CD2-CG2 3.96Å; F418-T422 HydrophobicContact CE2-CG2 4.01Å; T422-L426 HydrophobicContact CG2-CD1 4.04Å; T422-L426 WeakPolarHBondContact O-CB 3.45Å; T422-L426 WeakPolarHBondContact O-CD1 3.29Å; T422-L426 WeakPolarHBondContact O-CG 3.42Å; T422-L426 PolarHBondContact O-N 3.39Å; T422-L426 VanDerWaalsContact O-N 3.12Å
423T98.7Very high96.8Very high1 Ų112.7 Ų12.71%0.0068%0.079CC..Hα-helixtrans-67.9-36.7175.2540000112.4V28 I31 F32 F418 L419 E421 Y427V28-T423 WeakPolarHBondContact CG1-O 3.33Å; I31-T423 HydrophobicContact CG2-CG2 3.93Å; F32-T423 HydrophobicContact CB-CG2 4.21Å; F418-T423 HydrophobicContact CD2-CG2 4.42Å; F418-T423 HydrophobicContact CE1-CG2 4.12Å; F418-T423 HydrophobicContact CE2-CG2 4.04Å; F418-T423 HydrophobicContact CZ-CG2 3.89Å; F418-T423 WeakPolarHBondContact O-CG2 3.36Å; F418-T423 PolarHBondContact O-N 2.74Å; F418-T423 VanDerWaalsContact O-N 3.12Å; F418-T423 PolarHBondContact O-OG1 3.29Å; L419-T423 PolarHBondContact O-OG1 3.36Å; E421-T423 VanDerWaalsContact C-N 3.34Å; E421-T423 PolarHBondContact O-N 2.92Å; T423-Y427 WeakPolarHBondContact O-CB 3.11Å; T423-Y427 PolarHBondContact O-N 2.75Å
424K98.5Very high96.5Very high0 Ų011 Ų110%07%0.074CC..Hα-helixtrans-65-50.4178.6-174.5-172.9-68.9157.50111.8D72 T73 I76 A420 E421 Y427 L428 F462 A466D72-K424 WeakPolarHBondContact OD1-CE 3.33Å; D72-K424 IonicContact OD1-NZ 2.63Å; D72-K424 PolarHBondContact OD1-NZ 3.01Å; D72-K424 IonicContact OD2-NZ 3.35Å; D72-K424 PolarHBondContact OD2-NZ 3.38Å; T73-K424 HydrophobicContact CG2-CB 4.27Å; T73-K424 WeakPolarHBondContact OG1-CE 3.25Å; I76-K424 HydrophobicContact CD1-CD 3.42Å; I76-K424 VanDerWaalsContact CD1-CD 3.42Å; I76-K424 HydrophobicContact CD1-CG 3.58Å; A420-K424 VanDerWaalsContact O-CB 3.3Å; A420-K424 WeakPolarHBondContact O-CB 3.22Å; A420-K424 WeakPolarHBondContact O-CD 3.36Å; A420-K424 WeakPolarHBondContact O-CE 3.41Å; A420-K424 PolarHBondContact O-NZ 3.02Å; E421-K424 CarbonylContact O-C 3.5Å; E421-K424 WeakPolarHBondContact O-CA 3.42Å; E421-K424 WeakPolarHBondContact O-CB 2.95Å; E421-K424 PolarHBondContact O-N 2.93Å; K424-Y427 WeakPolarHBondContact O-CB 3.36Å; K424-Y427 PolarHBondContact O-N 2.59Å; K424-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 WeakPolarHBondContact O-CB 3.34Å; K424-L428 WeakPolarHBondContact O-CG 3.44Å; K424-L428 PolarHBondContact O-N 2.89Å; K424-F462 HydrophobicContact CD-CD1 4.44Å; K424-F462 HydrophobicContact CD-CE1 3.89Å; K424-A466 HydrophobicContact CD-CB 3.92Å; K424-A466 WeakPolarHBondContact CD-O 3.45Å; K424-A466 PolarHBondContact NZ-O 3.11Å
425Y98.7Very high95.9Very high0 Ų014.6 Ų14.60%010%0.104CC..Hα-helixtrans-66.2-41.8179.4-69-52000112.2P360 E364 M367 E421 Y427 L428 L429 F462 A466P360-Y425 HydrophobicContact CB-CD2 4.02Å; P360-Y425 HydrophobicContact CB-CE2 4.26Å; E364-Y425 HydrophobicContact CB-CD1 4.24Å; E364-Y425 HydrophobicContact CB-CD2 3.75Å; E364-Y425 HydrophobicContact CB-CE1 4.15Å; E364-Y425 HydrophobicContact CB-CE2 3.63Å; E364-Y425 HydrophobicContact CB-CG 4.05Å; E364-Y425 HydrophobicContact CG-CD1 4.29Å; E364-Y425 HydrophobicContact CG-CD2 4.43Å; E364-Y425 HydrophobicContact CG-CE1 3.8Å; E364-Y425 HydrophobicContact CG-CE2 3.94Å; E364-Y425 PolarHBondContact OE1-OH 2.79Å; M367-Y425 HydrophobicContact CE-CD1 3.64Å; M367-Y425 HydrophobicContact CE-CE1 3.81Å; M367-Y425 HydrophobicContact SD-CD1 3.74Å; M367-Y425 HydrophobicContact SD-CE1 4.43Å; E421-Y425 HydrophobicContact CB-CD2 4.2Å; E421-Y425 HydrophobicContact CB-CE2 4.06Å; E421-Y425 VanDerWaalsContact O-CD2 3.3Å; E421-Y425 WeakPolarHBondContact O-CD2 3.39Å; E421-Y425 PolarHBondContact O-N 2.95Å; Y425-Y427 VanDerWaalsContact C-N 3.34Å; Y425-Y427 PolarHBondContact O-N 2.83Å; Y425-L428 PolarHBondContact O-N 2.98Å; Y425-L429 WeakPolarHBondContact O-CB 3.38Å; Y425-L429 PolarHBondContact O-N 3.37Å; Y425-F462 AromaticContact CE1-CD1 3.74Å; Y425-F462 HydrophobicContact CE1-CD1 3.74Å; Y425-F462 HydrophobicContact CE1-CE1 4.18Å; Y425-F462 HydrophobicContact CE1-CG 4.33Å; Y425-A466 HydrophobicContact CD2-CB 4.4Å; Y425-A466 HydrophobicContact CE1-CB 4.07Å; Y425-A466 HydrophobicContact CE2-CB 3.56Å; Y425-A466 WeakPolarHBondContact OH-CA 3.36Å; Y425-A466 VanDerWaalsContact OH-CB 3.29Å; Y425-A466 WeakPolarHBondContact OH-CB 3.33Å
426L98.7Very high95.5Very high5 Ų514.9 Ų14.93%0.02611%0.106CC..Hα-helixtrans-63.5-40.5174.4-70.8170.3000111.5V28 A363 I386 I389 T422 L428 L429 F430V28-L426 HydrophobicContact CG1-CB 4.06Å; V28-L426 HydrophobicContact CG2-CB 3.82Å; A363-L426 HydrophobicContact CB-CD2 3.98Å; A363-L426 HydrophobicContact CB-CG 3.94Å; I386-L426 HydrophobicContact CD1-CD2 4.42Å; I386-L426 HydrophobicContact CG1-CB 4.47Å; I386-L426 HydrophobicContact CG1-CD1 3.88Å; I386-L426 HydrophobicContact CG1-CD2 4.14Å; I386-L426 HydrophobicContact CG1-CG 4.4Å; I389-L426 HydrophobicContact CD1-CD1 4.11Å; T422-L426 HydrophobicContact CG2-CD1 4.04Å; T422-L426 WeakPolarHBondContact O-CB 3.45Å; T422-L426 WeakPolarHBondContact O-CD1 3.29Å; T422-L426 WeakPolarHBondContact O-CG 3.42Å; T422-L426 PolarHBondContact O-N 3.39Å; T422-L426 VanDerWaalsContact O-N 3.12Å; L426-L428 PolarHBondContact O-N 2.93Å; L426-L429 PolarHBondContact O-N 2.79Å; L426-F430 VanDerWaalsContact O-CD2 3.25Å; L426-F430 WeakPolarHBondContact O-CD2 3.47Å; L426-F430 PolarHBondContact O-N 2.9Å
427Y98.7Very high95.2Very high19 Ų1916.5 Ų16.58%0.07511%0.113CC..Hα-helixtrans-60.5-47.1175.9179.7-93.6000111.3R25 K29 I76 M77 T423 K424 Y425 F430 D431R25-Y427 HydrophobicContact CG-CD2 3.64Å; R25-Y427 HydrophobicContact CG-CE2 3.4Å; R25-Y427 HydrophobicContact CG-CG 4.39Å; K29-Y427 HydrophobicContact CB-CD2 4.38Å; K29-Y427 HydrophobicContact CB-CE2 4.27Å; K29-Y427 HydrophobicContact CD-CE2 4.46Å; I76-Y427 HydrophobicContact CG2-CD1 3.96Å; I76-Y427 HydrophobicContact CG2-CE1 4.08Å; M77-Y427 HydrophobicContact CE-CD2 4.14Å; M77-Y427 HydrophobicContact CE-CG 4.05Å; M77-Y427 HydrophobicContact CG-CD1 4.33Å; M77-Y427 HydrophobicContact CG-CD2 4.19Å; M77-Y427 HydrophobicContact CG-CE1 4.36Å; M77-Y427 HydrophobicContact CG-CE2 4.22Å; M77-Y427 HydrophobicContact CG-CG 4.25Å; M77-Y427 HydrophobicContact SD-CD2 4.34Å; T423-Y427 WeakPolarHBondContact O-CB 3.11Å; T423-Y427 PolarHBondContact O-N 2.75Å; K424-Y427 WeakPolarHBondContact O-CB 3.36Å; K424-Y427 PolarHBondContact O-N 2.59Å; Y425-Y427 VanDerWaalsContact C-N 3.34Å; Y425-Y427 PolarHBondContact O-N 2.83Å; Y427-F430 PolarHBondContact O-N 2.02Å; Y427-D431 PolarHBondContact O-N 2.71Å; Y427-D431 VanDerWaalsContact O-N 3.15Å
428L97.5Very high94.4Very high1 Ų118 Ų181%0.00512%0.121CC..Hα-helixtrans-70.1-32.1-179.7-70.5173.4000113.4I76 M367 K424 Y425 L426 F430 D431 H434 M436 H437 F462I76-L428 HydrophobicContact CG2-CD2 3.95Å; I76-L428 HydrophobicContact CG2-CG 4.33Å; M367-L428 HydrophobicContact CG-CB 4.22Å; M367-L428 HydrophobicContact SD-CB 3.53Å; M367-L428 VanDerWaalsContact SD-CB 3.53Å; M367-L428 HydrophobicContact SD-CD1 3.85Å; M367-L428 HydrophobicContact SD-CG 4.35Å; K424-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 WeakPolarHBondContact O-CB 3.34Å; K424-L428 WeakPolarHBondContact O-CG 3.44Å; K424-L428 PolarHBondContact O-N 2.89Å; Y425-L428 PolarHBondContact O-N 2.98Å; L426-L428 PolarHBondContact O-N 2.93Å; L428-F430 VanDerWaalsContact C-N 3.3Å; L428-F430 PolarHBondContact O-N 3.06Å; L428-D431 CarbonylContact O-C 3.54Å; L428-D431 PolarHBondContact O-N 2.75Å; L428-H434 HydrophobicContact CD2-CB 4.12Å; L428-M436 HydrophobicContact CD2-CB 4.23Å; L428-M436 HydrophobicContact CD2-CG 4.46Å; L428-H437 PolarHBondContact O-NE2 3.13Å; L428-F462 HydrophobicContact CD1-CE1 3.87Å; L428-F462 HydrophobicContact CD1-CZ 3.67Å
429L97.8Very high93.2Very high2 Ų223.8 Ų23.81%0.0116%0.157CC..Hα-helixtrans-59.3-42.4173172.963.3000111.2L366 M367 Y370 L379 Y425 L426 D431L366-L429 HydrophobicContact CB-CD1 4.46Å; L366-L429 HydrophobicContact CB-CD2 4.02Å; L366-L429 HydrophobicContact CD1-CD2 4.49Å; M367-L429 HydrophobicContact CB-CB 4.35Å; Y370-L429 HydrophobicContact CD1-CD1 4.02Å; Y370-L429 HydrophobicContact CG-CD1 4.01Å; L379-L429 HydrophobicContact CD2-CD1 3.87Å; L379-L429 HydrophobicContact CD2-CG 3.99Å; Y425-L429 WeakPolarHBondContact O-CB 3.38Å; Y425-L429 PolarHBondContact O-N 3.37Å; L426-L429 PolarHBondContact O-N 2.79Å; L429-D431 VanDerWaalsContact C-N 3.34Å
430F97.8Very high91.8Very high2 Ų224.6 Ų24.61%0.00917%0.165CC..THydrogen-bonded Turntrans-90.56.3179.2-69.3-69.8000114.3F16 C21 F24 R25 L379 A383 I386 L426 Y427 L428F16-F430 AromaticContact CE1-CD1 4Å; F16-F430 HydrophobicContact CE1-CD1 4Å; F16-F430 AromaticContact CE1-CE1 3.59Å; F16-F430 HydrophobicContact CE1-CE1 3.59Å; F16-F430 HydrophobicContact CZ-CD1 4.46Å; F16-F430 AromaticContact CZ-CE1 3.62Å; F16-F430 HydrophobicContact CZ-CE1 3.62Å; F16-F430 HydrophobicContact CZ-CZ 4.44Å; C21-F430 HydrophobicContact CB-CD1 4.48Å; F24-F430 HydrophobicContact CB-CB 4.36Å; F24-F430 HydrophobicContact CB-CD1 3.73Å; F24-F430 HydrophobicContact CB-CD2 3.76Å; F24-F430 HydrophobicContact CB-CE1 3.88Å; F24-F430 HydrophobicContact CB-CE2 3.96Å; F24-F430 HydrophobicContact CB-CG 3.66Å; F24-F430 HydrophobicContact CB-CZ 3.99Å; F24-F430 HydrophobicContact CD2-CE1 4.17Å; F24-F430 HydrophobicContact CD2-CZ 4.47Å; F24-F430 HydrophobicContact CG-CD1 4.47Å; F24-F430 HydrophobicContact CG-CE1 4.16Å; F24-F430 HydrophobicContact CG-CE2 4.44Å; F24-F430 HydrophobicContact CG-CZ 4.15Å; R25-F430 HydrophobicContact CB-CB 3.9Å; L379-F430 HydrophobicContact CB-CE1 4.12Å; L379-F430 HydrophobicContact CD2-CD1 3.95Å; L379-F430 HydrophobicContact CD2-CE1 3.84Å; L379-F430 VanDerWaalsContact O-CZ 3.31Å; L379-F430 WeakPolarHBondContact O-CZ 3.48Å; A383-F430 HydrophobicContact CB-CZ 4.14Å; I386-F430 HydrophobicContact CD1-CD2 3.74Å; I386-F430 HydrophobicContact CD1-CE2 3.3Å; I386-F430 HydrophobicContact CD1-CZ 4.2Å; L426-F430 VanDerWaalsContact O-CD2 3.25Å; L426-F430 WeakPolarHBondContact O-CD2 3.47Å; L426-F430 PolarHBondContact O-N 2.9Å; Y427-F430 PolarHBondContact O-N 2.02Å; L428-F430 VanDerWaalsContact C-N 3.3Å; L428-F430 PolarHBondContact O-N 3.06Å
431D95.1Very high90.3Very high19 Ų1931.9 Ų31.910%0.10220%0.203CC..  trans-12769.6171-157-14.6000112R25 Y427 L428 L429 G433 H434 H437R25-D431 VanDerWaalsContact CD-OD2 3.23Å; R25-D431 WeakPolarHBondContact CD-OD2 3.04Å; R25-D431 HydrophobicContact CG-CB 4.33Å; R25-D431 IonicContact CZ-OD2 3.44Å; R25-D431 IonicContact NE-OD2 3.57Å; R25-D431 VanDerWaalsContact NH1-CG 3.3Å; R25-D431 IonicContact NH1-OD1 2.79Å; R25-D431 PolarHBondContact NH1-OD1 2.81Å; R25-D431 IonicContact NH1-OD2 3.61Å; R25-D431 PolarHBondContact NH1-OD2 2.54Å; Y427-D431 PolarHBondContact O-N 2.71Å; Y427-D431 VanDerWaalsContact O-N 3.15Å; L428-D431 CarbonylContact O-C 3.54Å; L428-D431 PolarHBondContact O-N 2.75Å; L429-D431 VanDerWaalsContact C-N 3.34Å; D431-G433 PolarHBondContact O-N 3.41Å; D431-G433 VanDerWaalsContact O-N 3.11Å; D431-H434 HydrophobicContact CB-CB 4.01Å; D431-H434 WeakPolarHBondContact O-CB 3.04Å; D431-H434 PolarHBondContact O-N 2.72Å; D431-H434 PolarHBondContact OD1-N 3.11Å; D431-H434 IonicContact OD2-CD2 2.65Å; D431-H437 PolarHBondContact O-CD2 3.31Å; D431-H437 PolarHBondContact O-NE2 2.79Å
432P89.4Confident88.9Confident43 Ų4334.3 Ų34.328%0.27922%0.221SC..THydrogen-bonded Turntrans-64.6-18.4-177.926.9-35.4000113.3Y370 R371 H434Y370-P432 HydrophobicContact CE1-CB 4.32Å; R371-P432 PolarHBondContact NH1-O 2.87Å; P432-H434 VanDerWaalsContact C-N 3.34Å
433G88.7Confident87.7Confident71 Ų7141.2 Ų41.273%0.73225%0.251SS*.THydrogen-bonded Turntrans-87.80.7175.900000114.1D431D431-G433 PolarHBondContact O-N 3.41Å; D431-G433 VanDerWaalsContact O-N 3.11Å
434H91.1Very high86.8Confident32 Ų3245.9 Ų45.915%0.14827%0.271CS..  trans-62.5143-177.4-164-96.1000112I76 L428 D431 P432 M436 H437I76-H434 PolarHBondContact O-NE2 2.84Å; I76-H434 VanDerWaalsContact O-NE2 3.13Å; L428-H434 HydrophobicContact CD2-CB 4.12Å; D431-H434 HydrophobicContact CB-CB 4.01Å; D431-H434 WeakPolarHBondContact O-CB 3.04Å; D431-H434 PolarHBondContact O-N 2.72Å; D431-H434 PolarHBondContact OD1-N 3.11Å; D431-H434 IonicContact OD2-CD2 2.65Å; P432-H434 VanDerWaalsContact C-N 3.34Å; H434-M436 WeakPolarHBondContact CE1-CG 3.3Å; H434-M436 WeakPolarHBondContact ND1-CG 3.28Å; H434-M436 PolarHBondContact ND1-N 2.89Å; H434-M436 PolarHBondContact O-N 3.48Å; H434-H437 WeakPolarHBondContact O-CB 3.43Å; H434-H437 PolarHBondContact O-N 3.4Å
435A85.4Confident86Confident77 Ų7750.9 Ų50.964%0.63630%0.297SS*.G310 helixtrans-61.1-21.8-176.600000114H437 D438A435-H437 PolarHBondContact O-N 3.08Å; A435-D438 VanDerWaalsContact O-CB 3.28Å; A435-D438 WeakPolarHBondContact O-CB 3.35Å; A435-D438 PolarHBondContact O-N 3.35Å; A435-D438 VanDerWaalsContact O-N 3.12Å
436M86.7Confident85.2Confident24 Ų2452 Ų5212%0.11830%0.303CS..G310 helixtrans-68.3-18.7175.7-58.8-65.8163.200112.6I76 L121 L428 H434 D438 Q460 I468I76-M436 HydrophobicContact CG1-CE 4.03Å; I76-M436 HydrophobicContact CG1-CG 4.36Å; L121-M436 HydrophobicContact CD2-CE 3.72Å; L121-M436 HydrophobicContact CD2-SD 4.4Å; L428-M436 HydrophobicContact CD2-CB 4.23Å; L428-M436 HydrophobicContact CD2-CG 4.46Å; H434-M436 WeakPolarHBondContact CE1-CG 3.3Å; H434-M436 WeakPolarHBondContact ND1-CG 3.28Å; H434-M436 PolarHBondContact ND1-N 2.89Å; H434-M436 PolarHBondContact O-N 3.48Å; M436-D438 VanDerWaalsContact C-N 3.31Å; M436-Q460 PolarHBondContact O-OE1 2.9Å; M436-Q460 PolarHBondContact SD-NE2 3.39Å; M436-Q460 PolarHBondContact SD-OE1 3.22Å; M436-I468 HydrophobicContact CE-CD1 4.44Å; M436-I468 HydrophobicContact SD-CD1 3.77Å
437H88Confident84.3Confident35 Ų3557 Ų5716%0.16233%0.33CS..G310 helixtrans-87.33173.9-59.5-55.1000113R371 L428 D431 H434 A435 V439R371-H437 WeakPolarHBondContact CD-ND1 3.38Å; L428-H437 PolarHBondContact O-NE2 3.13Å; D431-H437 PolarHBondContact O-CD2 3.31Å; D431-H437 PolarHBondContact O-NE2 2.79Å; H434-H437 WeakPolarHBondContact O-CB 3.43Å; H434-H437 PolarHBondContact O-N 3.4Å; A435-H437 PolarHBondContact O-N 3.08Å; H437-V439 PolarHBondContact O-N 3.12Å
438D80.6Confident82.9Confident39 Ų3958.2 Ų58.221%0.20934%0.338CS..  trans-61.7128.1179.3-171.83.1000110.4A435 M436 G440 L441 S442 G458A435-D438 VanDerWaalsContact O-CB 3.28Å; A435-D438 WeakPolarHBondContact O-CB 3.35Å; A435-D438 PolarHBondContact O-N 3.35Å; A435-D438 VanDerWaalsContact O-N 3.12Å; M436-D438 VanDerWaalsContact C-N 3.31Å; D438-G440 VanDerWaalsContact C-N 3.29Å; D438-G440 PolarHBondContact OD1-N 2.9Å; D438-L441 PolarHBondContact OD1-N 3.47Å; D438-S442 VanDerWaalsContact OD2-CB 3.22Å; D438-S442 WeakPolarHBondContact OD2-CB 3.35Å; D438-S442 PolarHBondContact OD2-N 2.9Å; D438-S442 PolarHBondContact OD2-OG 3.42Å; D438-G458 WeakPolarHBondContact O-CA 3.29Å
439V72.3Confident81.5Confident124 Ų12461.6 Ų61.675%0.75237%0.372SS*.  trans-93.617178.6-64.40000112.4H437 L441H437-V439 PolarHBondContact O-N 3.12Å; V439-L441 HydrophobicContact CG2-CD1 4.45Å; V439-L441 HydrophobicContact CG2-CG 4.22Å
440G69.5Low80.2Confident16 Ų1669.9 Ų69.917%0.16541%0.408CS..SBendtrans95.527.4175.100000115.4D438 Q457D438-G440 VanDerWaalsContact C-N 3.29Å; D438-G440 PolarHBondContact OD1-N 2.9Å; G440-Q457 WeakPolarHBondContact CA-O 3.43Å
441L65.6Low79.1Confident153 Ų15371.2 Ų71.280%0.80142%0.415SS*.  trans-79-31.7172.8-61.1179.6000110.9D438 V439D438-L441 PolarHBondContact OD1-N 3.47Å; V439-L441 HydrophobicContact CG2-CD1 4.45Å; V439-L441 HydrophobicContact CG2-CG 4.22Å
442S69.5Low78.5Confident58 Ų5877 Ų7741%0.40644%0.439SS..  trans-84.6141.2170.278.60000111.1D438 S456D438-S442 VanDerWaalsContact OD2-CB 3.22Å; D438-S442 WeakPolarHBondContact OD2-CB 3.35Å; D438-S442 PolarHBondContact OD2-N 2.9Å; D438-S442 PolarHBondContact OD2-OG 3.42Å; S442-S456 PolarHBondContact OG-O 3.47Å
443K73.6Confident78.1Confident145 Ų14575 Ų7563%0.6343%0.426SS*.  trans-137.1124.4178.1-70179.9-177.2172.70108.6L454 Q457K443-L454 HydrophobicContact CB-CD2 3.97Å; K443-L454 HydrophobicContact CD-CD2 4.18Å; K443-L454 HydrophobicContact CG-CD2 4.3Å; K443-Q457 HydrophobicContact CG-CG 4.39Å
444K79.6Confident77.8Confident99 Ų9975.4 Ų75.443%0.4341%0.411SS..EExtended strand (participates in β ladder)trans-117.6117.7174-170.1180179.7-173.10109.5N123 I446 V455N123-K444 PolarHBondContact ND2-NZ 3.4Å; K444-I446 HydrophobicContact CD-CG2 4.29Å; K444-I446 HydrophobicContact CG-CG2 4.15Å; K444-V455 HydrophobicContact CB-CG2 4.04Å; K444-V455 HydrophobicContact CG-CG2 4.5Å; K444-V455 PolarHBondContact N-O 3.46Å; K444-V455 WeakPolarHBondContact O-CG2 3.04Å; K444-V455 PolarHBondContact O-N 3.03Å
445L81.9Confident77.2Confident105 Ų10574 Ų7455%0.5540%0.404SS..EExtended strand (participates in β ladder)trans-81.4121.7170.7-169.672.3000108.6K452 C453 L454L445-K452 HydrophobicContact CD1-CB 4.1Å; L445-K452 HydrophobicContact CD2-CD 4.37Å; L445-C453 WeakPolarHBondContact CA-O 3.49Å; L445-L454 HydrophobicContact CD1-CD1 4.39Å; L445-L454 HydrophobicContact CD1-CG 3.99Å
446I81.8Confident76.5Confident22 Ų2272.5 Ų72.511%0.11339%0.389CS..EExtended strand (participates in β ladder)trans-115.4150173.863.4172.2000109.5W133 P134 K444 K452 C453 V455W133-I446 HydrophobicContact CE3-CD1 4.02Å; W133-I446 HydrophobicContact CH2-CD1 3.94Å; W133-I446 HydrophobicContact CZ3-CD1 3.27Å; W133-I446 HydrophobicContact CZ3-CG2 4.45Å; P134-I446 HydrophobicContact CG-CD1 3.98Å; K444-I446 HydrophobicContact CD-CG2 4.29Å; K444-I446 HydrophobicContact CG-CG2 4.15Å; I446-K452 CarbonylContact O-C 3.41Å; I446-K452 VanDerWaalsContact O-CA 3.31Å; I446-K452 WeakPolarHBondContact O-CA 3.04Å; I446-C453 HydrophobicContact CD1-CB 3.89Å; I446-C453 HydrophobicContact CG1-CB 3.57Å; I446-C453 WeakPolarHBondContact CG1-O 3.16Å; I446-C453 PolarHBondContact N-O 2.91Å; I446-C453 PolarHBondContact O-N 2.9Å; I446-V455 HydrophobicContact CD1-CB 4.33Å; I446-V455 HydrophobicContact CD1-CG1 3.39Å; I446-V455 HydrophobicContact CD1-CG2 3.98Å; I446-V455 HydrophobicContact CG1-CG1 3.94Å; I446-V455 HydrophobicContact CG1-CG2 4.15Å; I446-V455 HydrophobicContact CG2-CG2 3.72Å
447N79.3Confident75.5Confident112 Ų11275.1 Ų75.160%0.59940%0.401SS*.EExtended strand (participates in β ladder)trans-120.9112.7172.5-176.20.6000108.5G449N447-G449 VanDerWaalsContact C-N 3.25Å; N447-G449 PolarHBondContact O-N 3.06Å; N447-G449 PolarHBondContact OD1-N 3.13Å
448N70.2Confident74.8Confident44 Ų4473.9 Ų73.924%0.23540%0.398CS..  trans-89.714.8179.370.13.9000112.9K450 Q451N448-K450 PolarHBondContact O-N 3.14Å; N448-K450 PolarHBondContact OD1-N 3.39Å; N448-Q451 PolarHBondContact N-O 3.07Å; N448-Q451 PolarHBondContact OD1-N 3.36Å; N448-Q451 PolarHBondContact OD1-O 3.17Å; N448-Q451 VanDerWaalsContact OD1-O 3.1Å
449G68.4Low74.6Confident71 Ų7173.9 Ų73.973%0.73241%0.408SS*.SBendtrans82.4-23.2-175.900000114.4N447N447-G449 VanDerWaalsContact C-N 3.25Å; N447-G449 PolarHBondContact O-N 3.06Å; N447-G449 PolarHBondContact OD1-N 3.13Å
450K69.4Low75.4Confident176 Ų17670.2 Ų70.277%0.76538%0.382SS*.SBendtrans-100-36.1176.2-66.3177.9-176.9167.10112.2N448N448-K450 PolarHBondContact O-N 3.14Å; N448-K450 PolarHBondContact OD1-N 3.39Å
451Q75.7Confident76.6Confident31 Ų3170.3 Ų70.315%0.14538%0.379CS..  trans-157.7158-17662.6-167.119.100112.2N448 C476 F481N448-Q451 PolarHBondContact N-O 3.07Å; N448-Q451 PolarHBondContact OD1-N 3.36Å; N448-Q451 PolarHBondContact OD1-O 3.17Å; N448-Q451 VanDerWaalsContact OD1-O 3.1Å; Q451-C476 PolarHBondContact NE2-O 3.48Å; Q451-C476 PolarHBondContact NE2-SG 2.95Å; Q451-F481 HydrophobicContact CB-CE1 4.17Å; Q451-F481 HydrophobicContact CG-CE1 4.18Å
452K82.7Confident78.1Confident140 Ų14063.5 Ų63.561%0.60934%0.343SS*.EExtended strand (participates in β ladder)trans-87.6119170.8-66-179.1178.7-179.20108.8L445 I446L445-K452 HydrophobicContact CD1-CB 4.1Å; L445-K452 HydrophobicContact CD2-CD 4.37Å; I446-K452 CarbonylContact O-C 3.41Å; I446-K452 VanDerWaalsContact O-CA 3.31Å; I446-K452 WeakPolarHBondContact O-CA 3.04Å
453C81.1Confident79.5Confident0 Ų060.8 Ų60.80%032%0.323CS..EExtended strand (participates in β ladder)trans-104.9138173.6-58.90000109.5L445 I446 V455 C476L445-C453 WeakPolarHBondContact CA-O 3.49Å; I446-C453 HydrophobicContact CD1-CB 3.89Å; I446-C453 HydrophobicContact CG1-CB 3.57Å; I446-C453 WeakPolarHBondContact CG1-O 3.16Å; I446-C453 PolarHBondContact N-O 2.91Å; I446-C453 PolarHBondContact O-N 2.9Å; C453-V455 HydrophobicContact CB-CG1 4.06Å; C453-C476 WeakPolarHBondContact CA-SG 3.47Å; C453-C476 HydrophobicContact CB-CB 3.7Å; C453-C476 WeakPolarHBondContact CB-SG 3.48Å; C453-C476 WeakPolarHBondContact SG-CB 3.17Å; C453-C476 CovalentContact SG-SG 2.01Å; C453-C476 PolarHBondContact SG-SG 3.42Å
454L80.9Confident80.6Confident81 Ų8155.2 Ų55.242%0.42430%0.302SS..EExtended strand (participates in β ladder)trans-88.7119.2158.3-85128.9000107.7K443 L445 Q457K443-L454 HydrophobicContact CB-CD2 3.97Å; K443-L454 HydrophobicContact CD-CD2 4.18Å; K443-L454 HydrophobicContact CG-CD2 4.3Å; L445-L454 HydrophobicContact CD1-CD1 4.39Å; L445-L454 HydrophobicContact CD1-CG 3.99Å; L454-Q457 HydrophobicContact CB-CG 4.45Å; L454-Q457 VanDerWaalsContact CB-NE2 3.31Å
455V79.8Confident81.5Confident1 Ų151 Ų511%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-117.3169.6176.2-60.80000110.6W133 K444 I446 C453 Q457 I473W133-V455 HydrophobicContact CH2-CG1 4.32Å; W133-V455 HydrophobicContact CH2-CG2 4.27Å; K444-V455 HydrophobicContact CB-CG2 4.04Å; K444-V455 HydrophobicContact CG-CG2 4.5Å; K444-V455 PolarHBondContact N-O 3.46Å; K444-V455 WeakPolarHBondContact O-CG2 3.04Å; K444-V455 PolarHBondContact O-N 3.03Å; I446-V455 HydrophobicContact CD1-CB 4.33Å; I446-V455 HydrophobicContact CD1-CG1 3.39Å; I446-V455 HydrophobicContact CD1-CG2 3.98Å; I446-V455 HydrophobicContact CG1-CG1 3.94Å; I446-V455 HydrophobicContact CG1-CG2 4.15Å; I446-V455 HydrophobicContact CG2-CG2 3.72Å; C453-V455 HydrophobicContact CB-CG1 4.06Å; V455-Q457 VanDerWaalsContact C-N 3.25Å; V455-Q457 PolarHBondContact O-N 3.33Å; V455-I473 HydrophobicContact CB-CG1 4.21Å; V455-I473 HydrophobicContact CG1-CD1 4.47Å; V455-I473 HydrophobicContact CG1-CG1 3.69Å
456S70.5Confident82.3Confident46 Ų4646 Ų4632%0.32226%0.258SS..  trans63.827.8-179.1-49.70000113.4S442 G458S442-S456 PolarHBondContact OG-O 3.47Å; S456-G458 PolarHBondContact O-N 3.01Å
457Q64.9Low83Confident79 Ų7945 Ų4537%0.36925%0.252SS..  trans-76.328.4175.4-60.2-162.1-1500112.8G440 K443 L454 V455G440-Q457 WeakPolarHBondContact CA-O 3.43Å; K443-Q457 HydrophobicContact CG-CG 4.39Å; L454-Q457 HydrophobicContact CB-CG 4.45Å; L454-Q457 VanDerWaalsContact CB-NE2 3.31Å; V455-Q457 VanDerWaalsContact C-N 3.25Å; V455-Q457 PolarHBondContact O-N 3.33Å
458G72.6Confident83.8Confident9 Ų939.8 Ų39.89%0.09322%0.224CC..SBendtrans60.4-155.8-167.700000112.1D438 S456D438-G458 WeakPolarHBondContact O-CA 3.29Å; S456-G458 PolarHBondContact O-N 3.01Å
459G77.5Confident85Confident40 Ų4037.7 Ų37.741%0.41221%0.213SC..  trans70.833.2177.800000113.1
460Q89.3Confident86.2Confident47 Ų4734.9 Ų34.922%0.2218%0.181CC..EExtended strand (participates in β ladder)trans-70.6132.2169.4-70.7176.5-13.100109.6M436 I468 L469M436-Q460 PolarHBondContact O-OE1 2.9Å; M436-Q460 PolarHBondContact SD-NE2 3.39Å; M436-Q460 PolarHBondContact SD-OE1 3.22Å; Q460-I468 HydrophobicContact CB-CG2 3.99Å; Q460-I468 HydrophobicContact CG-CG2 3.96Å; Q460-L469 CarbonylContact C-O 3.56Å; Q460-L469 WeakPolarHBondContact CA-O 3.35Å
461I94.6Very high87.2Confident18 Ų1827.7 Ų27.79%0.09215%0.154CC..EExtended strand (participates in β ladder)trans-119124-179.8-58.3-60.9000107.5K255 A258 L259 L469K255-I461 HydrophobicContact CB-CG2 3.73Å; K255-I461 HydrophobicContact CD-CG2 4.14Å; K255-I461 HydrophobicContact CG-CG2 4.2Å; A258-I461 HydrophobicContact CB-CD1 3.73Å; A258-I461 HydrophobicContact CB-CG1 4.38Å; L259-I461 HydrophobicContact CB-CG1 4.16Å; L259-I461 HydrophobicContact CD1-CB 4.3Å; L259-I461 HydrophobicContact CD1-CG1 4.16Å; I461-L469 PolarHBondContact N-O 2.98Å; I461-L469 PolarHBondContact O-N 3.29Å
462F97Very high87.9Confident10 Ų1026.9 Ų26.94%0.04415%0.152CC..EExtended strand (participates in β ladder)trans-84.4129.3175.3-70.7-118000107.9K255 K424 Y425 L428 A466 H467 I468K255-F462 WeakPolarHBondContact CD-O 3.3Å; K255-F462 WeakPolarHBondContact CE-O 3.46Å; K255-F462 PolarHBondContact NZ-O 3.33Å; K424-F462 HydrophobicContact CD-CD1 4.44Å; K424-F462 HydrophobicContact CD-CE1 3.89Å; Y425-F462 AromaticContact CE1-CD1 3.74Å; Y425-F462 HydrophobicContact CE1-CD1 3.74Å; Y425-F462 HydrophobicContact CE1-CE1 4.18Å; Y425-F462 HydrophobicContact CE1-CG 4.33Å; L428-F462 HydrophobicContact CD1-CE1 3.87Å; L428-F462 HydrophobicContact CD1-CZ 3.67Å; F462-A466 HydrophobicContact CD1-CB 4.04Å; F462-A466 VanDerWaalsContact CD1-O 3.29Å; F462-A466 WeakPolarHBondContact CD1-O 3.5Å; F462-H467 CarbonylContact C-O 3.5Å; F462-H467 WeakPolarHBondContact CA-O 3.43Å; F462-I468 HydrophobicContact CD1-CG1 4.21Å; F462-I468 HydrophobicContact CD2-CG1 4.44Å; F462-I468 HydrophobicContact CE1-CD1 4.26Å; F462-I468 HydrophobicContact CE1-CG1 3.88Å; F462-I468 HydrophobicContact CE2-CG1 4.09Å; F462-I468 HydrophobicContact CG-CG1 4.47Å; F462-I468 HydrophobicContact CZ-CD1 4.02Å; F462-I468 HydrophobicContact CZ-CG1 3.79Å
463N98.2Very high88.3Confident0 Ų020.4 Ų20.40%012%0.124CC..  trans-69.6-174.4167.681.2-10.2000110.9I109 L189 E190 E465 A466 H467I109-N463 PolarHBondContact O-ND2 2.89Å; L189-N463 HydrophobicContact CD1-CB 3.83Å; E190-N463 WeakPolarHBondContact OE1-CB 3.26Å; E190-N463 PolarHBondContact OE1-ND2 3.5Å; N463-E465 PolarHBondContact O-N 3.1Å; N463-E465 WeakPolarHBondContact OD1-CA 3.42Å; N463-E465 PolarHBondContact OD1-N 3.39Å; N463-A466 PolarHBondContact O-N 3.43Å; N463-A466 VanDerWaalsContact O-N 3.15Å; N463-A466 PolarHBondContact OD1-N 2.88Å; N463-H467 PolarHBondContact N-O 3.26Å; N463-H467 WeakPolarHBondContact OD1-CB 3.37Å; N463-H467 PolarHBondContact OD1-N 3.38Å
464T97.8Very high88.9Confident28 Ų2820.5 Ų20.517%0.17213%0.125CC..THydrogen-bonded Turntrans-67.2-11.5-178.8-171.10000114.1I109 T186 E251 Y252 E421I109-T464 HydrophobicContact CB-CG2 3.82Å; I109-T464 HydrophobicContact CD1-CG2 3.69Å; I109-T464 HydrophobicContact CG1-CG2 4.31Å; I109-T464 HydrophobicContact CG2-CG2 3.79Å; T186-T464 HydrophobicContact CG2-CG2 4.18Å; E251-T464 WeakPolarHBondContact OE1-CA 3.39Å; E251-T464 PolarHBondContact OE1-N 3.03Å; E251-T464 VanDerWaalsContact OE2-CB 3.25Å; E251-T464 WeakPolarHBondContact OE2-CB 3.5Å; E251-T464 PolarHBondContact OE2-OG1 3.32Å; Y252-T464 HydrophobicContact CE2-CG2 4.05Å; E421-T464 VanDerWaalsContact OE2-O 3.08Å
465E97.8Very high89.4Confident12 Ų1221.3 Ų21.36%0.05612%0.123CC..THydrogen-bonded Turntrans-111.524.9176.9-65.7-69.2160.600111.2I109 R110 E421 N463 H467I109-E465 HydrophobicContact CB-CG 3.87Å; I109-E465 HydrophobicContact CD1-CG 3.68Å; I109-E465 WeakPolarHBondContact CD1-OE1 3.38Å; I109-E465 HydrophobicContact CG1-CG 3.61Å; R110-E465 HydrophobicContact CG-CG 3.79Å; R110-E465 IonicContact CZ-OE1 2.68Å; R110-E465 VanDerWaalsContact CZ-OE1 3.3Å; R110-E465 IonicContact CZ-OE2 3.9Å; R110-E465 IonicContact NE-OE1 2.92Å; R110-E465 IonicContact NE-OE2 3.77Å; R110-E465 IonicContact NH1-OE1 2.87Å; R110-E465 IonicContact NH1-OE2 3.77Å; R110-E465 PolarHBondContact NH1-OE2 3.3Å; R110-E465 IonicContact NH2-OE1 2.68Å; R110-E465 PolarHBondContact NH2-OE1 3.29Å; R110-E465 IonicContact NH2-OE2 2.84Å; R110-E465 PolarHBondContact NH2-OE2 3.36Å; E421-E465 WeakPolarHBondContact CG-O 3.39Å; E421-E465 WeakPolarHBondContact OE2-CA 3.31Å; N463-E465 PolarHBondContact O-N 3.1Å; N463-E465 WeakPolarHBondContact OD1-CA 3.42Å; N463-E465 PolarHBondContact OD1-N 3.39Å; E465-H467 PolarHBondContact O-N 2.99Å
466A97.9Very high89.9Confident0 Ų021.4 Ų21.40%012%0.124CC..SBendtrans58.219.2-178.400000115.7E421 K424 Y425 F462 N463E421-A466 HydrophobicContact CB-CB 4Å; E421-A466 HydrophobicContact CG-CB 3.73Å; K424-A466 HydrophobicContact CD-CB 3.92Å; K424-A466 WeakPolarHBondContact CD-O 3.45Å; K424-A466 PolarHBondContact NZ-O 3.11Å; Y425-A466 HydrophobicContact CD2-CB 4.4Å; Y425-A466 HydrophobicContact CE1-CB 4.07Å; Y425-A466 HydrophobicContact CE2-CB 3.56Å; Y425-A466 WeakPolarHBondContact OH-CA 3.36Å; Y425-A466 VanDerWaalsContact OH-CB 3.29Å; Y425-A466 WeakPolarHBondContact OH-CB 3.33Å; F462-A466 HydrophobicContact CD1-CB 4.04Å; F462-A466 VanDerWaalsContact CD1-O 3.29Å; F462-A466 WeakPolarHBondContact CD1-O 3.5Å; N463-A466 PolarHBondContact O-N 3.43Å; N463-A466 VanDerWaalsContact O-N 3.15Å; N463-A466 PolarHBondContact OD1-N 2.88Å
467H98.2Very high91Very high0 Ų019.2 Ų19.20%011%0.108CC..  trans-80.1132.5175.6-66.1-50.7000112.1D69 D72 I109 R110 G114 F462 N463 E465D69-H467 IonicContact OD1-NE2 3.2Å; D72-H467 IonicContact OD1-ND1 3.88Å; D72-H467 VanDerWaalsContact OD2-CA 3.31Å; D72-H467 WeakPolarHBondContact OD2-CA 3.38Å; D72-H467 IonicContact OD2-CE1 2.79Å; D72-H467 IonicContact OD2-CG 2.82Å; D72-H467 IonicContact OD2-ND1 2.63Å; D72-H467 PolarHBondContact OD2-ND1 3.26Å; I109-H467 PolarHBondContact O-CD2 3.2Å; I109-H467 VanDerWaalsContact O-CD2 3.28Å; R110-H467 PolarHBondContact O-NE2 3.01Å; G114-H467 WeakPolarHBondContact CA-ND1 3.21Å; G114-H467 PolarHBondContact N-CD2 2.93Å; G114-H467 VanDerWaalsContact N-CD2 3.27Å; F462-H467 CarbonylContact C-O 3.5Å; F462-H467 WeakPolarHBondContact CA-O 3.43Å; N463-H467 PolarHBondContact N-O 3.26Å; N463-H467 WeakPolarHBondContact OD1-CB 3.37Å; N463-H467 PolarHBondContact OD1-N 3.38Å; E465-H467 PolarHBondContact O-N 2.99Å
468I95.3Very high92.3Very high2 Ų215.5 Ų15.51%0.019%0.091CC..EExtended strand (participates in β ladder)trans-85.3129.3-170.2-64.4163.1000111.1I76 S117 L121 M436 Q460 F462I76-I468 HydrophobicContact CD1-CD1 3.52Å; I76-I468 HydrophobicContact CG1-CD1 3.97Å; S117-I468 VanDerWaalsContact CA-O 3.31Å; S117-I468 WeakPolarHBondContact CA-O 3.42Å; S117-I468 WeakPolarHBondContact CB-O 3.28Å; S117-I468 PolarHBondContact OG-N 3.22Å; L121-I468 HydrophobicContact CD1-CD1 4.12Å; M436-I468 HydrophobicContact CE-CD1 4.44Å; M436-I468 HydrophobicContact SD-CD1 3.77Å; Q460-I468 HydrophobicContact CB-CG2 3.99Å; Q460-I468 HydrophobicContact CG-CG2 3.96Å; F462-I468 HydrophobicContact CD1-CG1 4.21Å; F462-I468 HydrophobicContact CD2-CG1 4.44Å; F462-I468 HydrophobicContact CE1-CD1 4.26Å; F462-I468 HydrophobicContact CE1-CG1 3.88Å; F462-I468 HydrophobicContact CE2-CG1 4.09Å; F462-I468 HydrophobicContact CG-CG1 4.47Å; F462-I468 HydrophobicContact CZ-CD1 4.02Å; F462-I468 HydrophobicContact CZ-CG1 3.79Å
469L95.8Very high93Very high1 Ų119 Ų191%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-118.4144.5169.5-57.9172.4000109.7L116 L120 L189 L259 Q460 I461L116-L469 HydrophobicContact CB-CD2 3.99Å; L116-L469 HydrophobicContact CD1-CD2 4.3Å; L120-L469 HydrophobicContact CD1-CD2 4.04Å; L189-L469 HydrophobicContact CB-CD1 3.63Å; L259-L469 HydrophobicContact CD1-CB 4.04Å; L259-L469 HydrophobicContact CD2-CB 3.89Å; L259-L469 HydrophobicContact CD2-CD1 3.69Å; L259-L469 HydrophobicContact CD2-CG 4.45Å; Q460-L469 CarbonylContact C-O 3.56Å; Q460-L469 WeakPolarHBondContact CA-O 3.35Å; I461-L469 PolarHBondContact N-O 2.98Å; I461-L469 PolarHBondContact O-N 3.29Å
470D92.7Very high93.5Very high11 Ų1119.9 Ų19.96%0.05911%0.107CC..EExtended strand (participates in β ladder)trans-114.3117-175.4-176.7-52000110.2L120 S472 I473 N474L120-D470 HydrophobicContact CD1-CB 4.44Å; D470-S472 VanDerWaalsContact C-N 3.33Å; D470-S472 PolarHBondContact O-N 2.89Å; D470-S472 WeakPolarHBondContact OD1-CA 3.49Å; D470-S472 WeakPolarHBondContact OD1-CB 3.34Å; D470-S472 PolarHBondContact OD1-N 3.43Å; D470-S472 PolarHBondContact OD1-OG 3.42Å; D470-I473 HydrophobicContact CB-CB 4.05Å; D470-I473 HydrophobicContact CB-CD1 3.89Å; D470-I473 HydrophobicContact CB-CG1 4.11Å; D470-I473 PolarHBondContact O-N 2.89Å; D470-I473 PolarHBondContact OD1-N 3.37Å; D470-N474 WeakPolarHBondContact O-CB 3.37Å; D470-N474 PolarHBondContact O-N 2.99Å; D470-N474 PolarHBondContact O-ND2 2.65Å
471A91.3Very high93.5Very high25 Ų2519 Ų1921%0.20710%0.103CC..Hα-helixtrans-63.2-37.9-179.100000112.7L259 Y475L259-A471 HydrophobicContact CD1-CB 4.01Å; A471-Y475 WeakPolarHBondContact O-CB 3.47Å; A471-Y475 PolarHBondContact O-N 3.47Å
472S90Very high93.1Very high14 Ų1421.5 Ų21.510%0.09811%0.113CC..Hα-helixtrans-68.6-40.9-178.574.80000111.9D470 C476D470-S472 VanDerWaalsContact C-N 3.33Å; D470-S472 PolarHBondContact O-N 2.89Å; D470-S472 WeakPolarHBondContact OD1-CA 3.49Å; D470-S472 WeakPolarHBondContact OD1-CB 3.34Å; D470-S472 PolarHBondContact OD1-N 3.43Å; D470-S472 PolarHBondContact OD1-OG 3.42Å; S472-C476 PolarHBondContact O-N 3.4Å
473I91.4Very high92.6Very high5 Ų526.3 Ų26.33%0.02613%0.131CC..Hα-helixtrans-69.4-46.5177.1-67.5173.2000110.4L120 W133 P134 L197 V455 D470 Y475 C476 C477L120-I473 HydrophobicContact CD2-CB 4.06Å; L120-I473 HydrophobicContact CD2-CD1 3.94Å; L120-I473 HydrophobicContact CD2-CG2 3.54Å; W133-I473 HydrophobicContact CH2-CD1 4.01Å; W133-I473 HydrophobicContact CZ2-CD1 3.52Å; W133-I473 HydrophobicContact CZ2-CG1 4.48Å; P134-I473 HydrophobicContact CB-CG2 3.46Å; P134-I473 VanDerWaalsContact CB-CG2 3.46Å; P134-I473 HydrophobicContact CG-CG2 4.05Å; L197-I473 HydrophobicContact CD2-CG2 3.76Å; V455-I473 HydrophobicContact CB-CG1 4.21Å; V455-I473 HydrophobicContact CG1-CD1 4.47Å; V455-I473 HydrophobicContact CG1-CG1 3.69Å; D470-I473 HydrophobicContact CB-CB 4.05Å; D470-I473 HydrophobicContact CB-CD1 3.89Å; D470-I473 HydrophobicContact CB-CG1 4.11Å; D470-I473 PolarHBondContact O-N 2.89Å; D470-I473 PolarHBondContact OD1-N 3.37Å; I473-Y475 VanDerWaalsContact C-N 3.32Å; I473-Y475 PolarHBondContact O-N 3.12Å; I473-C476 PolarHBondContact O-N 3.14Å; I473-C476 VanDerWaalsContact O-N 3.12Å; I473-C477 PolarHBondContact O-N 3.21Å
474N93.3Very high92.1Very high2 Ų227.9 Ų27.91%0.01114%0.139CC..Hα-helixtrans-56-47.7175.4-88.7-59.8000111.6S193 R196 D470 S478S193-N474 WeakPolarHBondContact CA-OD1 3.26Å; S193-N474 WeakPolarHBondContact CB-OD1 3.26Å; S193-N474 PolarHBondContact O-OD1 2.66Å; S193-N474 PolarHBondContact OG-ND2 2.99Å; S193-N474 PolarHBondContact OG-OD1 3.19Å; R196-N474 HydrophobicContact CB-CB 4.37Å; R196-N474 WeakPolarHBondContact CB-O 3.33Å; D470-N474 WeakPolarHBondContact O-CB 3.37Å; D470-N474 PolarHBondContact O-N 2.99Å; D470-N474 PolarHBondContact O-ND2 2.65Å; N474-S478 WeakPolarHBondContact O-CB 3.49Å; N474-S478 PolarHBondContact O-N 3.43Å; N474-S478 VanDerWaalsContact O-N 3.14Å
475Y91.5Very high91.5Very high98 Ų9829.3 Ų29.338%0.38415%0.145SC..Hα-helixtrans-60.4-47.8174.9177.9-116.7000111A471 I473 C477 S478 E480 F481 D484A471-Y475 WeakPolarHBondContact O-CB 3.47Å; A471-Y475 PolarHBondContact O-N 3.47Å; I473-Y475 VanDerWaalsContact C-N 3.32Å; I473-Y475 PolarHBondContact O-N 3.12Å; Y475-C477 PolarHBondContact O-N 3.49Å; Y475-S478 VanDerWaalsContact O-CB 3.31Å; Y475-S478 WeakPolarHBondContact O-CB 3.35Å; Y475-S478 PolarHBondContact O-N 3.35Å; Y475-S478 VanDerWaalsContact O-N 3.13Å; Y475-S478 PolarHBondContact O-OG 3.17Å; Y475-E480 HydrophobicContact CE2-CG 4.13Å; Y475-F481 HydrophobicContact CD1-CD2 4.07Å; Y475-F481 HydrophobicContact CE1-CB 4.47Å; Y475-F481 AromaticContact CE1-CD2 3.55Å; Y475-F481 HydrophobicContact CE1-CD2 3.55Å; Y475-F481 HydrophobicContact CE1-CE2 4.3Å; Y475-F481 HydrophobicContact CE1-CG 4.49Å; Y475-F481 HydrophobicContact CE2-CB 4.3Å; Y475-F481 AromaticContact CZ-CD2 3.92Å; Y475-F481 WeakPolarHBondContact O-CB 3.2Å; Y475-D484 PolarHBondContact OH-OD2 2.96Å
476C90.9Very high90.9Very high3 Ų336.7 Ų36.72%0.0217%0.173CC..Hα-helixtrans-58.9-46.2-177.8-164.40000112.7Q451 C453 S472 I473 S478 F481Q451-C476 PolarHBondContact NE2-O 3.48Å; Q451-C476 PolarHBondContact NE2-SG 2.95Å; C453-C476 WeakPolarHBondContact CA-SG 3.47Å; C453-C476 HydrophobicContact CB-CB 3.7Å; C453-C476 WeakPolarHBondContact CB-SG 3.48Å; C453-C476 WeakPolarHBondContact SG-CB 3.17Å; C453-C476 CovalentContact SG-SG 2.01Å; C453-C476 PolarHBondContact SG-SG 3.42Å; S472-C476 PolarHBondContact O-N 3.4Å; I473-C476 PolarHBondContact O-N 3.14Å; I473-C476 VanDerWaalsContact O-N 3.12Å; C476-S478 PolarHBondContact O-N 3.34Å; C476-F481 WeakPolarHBondContact O-CD1 3.5Å
477C92.5Very high90.3Very high0 Ų042.6 Ų42.60%020%0.198CC..Hα-helixtrans-73.5-17.3-178-61.70000113.5C135 R196 L197 Q199 I473 Y475C135-C477 WeakPolarHBondContact CA-SG 3.28Å; C135-C477 HydrophobicContact CB-CB 3.7Å; C135-C477 WeakPolarHBondContact CB-SG 3.34Å; C135-C477 WeakPolarHBondContact SG-CA 3.33Å; C135-C477 WeakPolarHBondContact SG-CB 3.15Å; C135-C477 CovalentContact SG-SG 2.04Å; C135-C477 PolarHBondContact SG-SG 2.92Å; R196-C477 CarbonylContact O-C 3.52Å; R196-C477 WeakPolarHBondContact O-CB 3Å; L197-C477 HydrophobicContact CD2-CB 4.05Å; Q199-C477 WeakPolarHBondContact CG-O 3.28Å; I473-C477 PolarHBondContact O-N 3.21Å; Y475-C477 PolarHBondContact O-N 3.49Å
478S92.4Very high89.5Confident0 Ų047.6 Ų47.60%022%0.224CC..SBendtrans-62.7153.3-177.777.20000114.3R196 N474 Y475 C476 E480 F481R196-S478 PolarHBondContact O-N 2.81Å; N474-S478 WeakPolarHBondContact O-CB 3.49Å; N474-S478 PolarHBondContact O-N 3.43Å; N474-S478 VanDerWaalsContact O-N 3.14Å; Y475-S478 VanDerWaalsContact O-CB 3.31Å; Y475-S478 WeakPolarHBondContact O-CB 3.35Å; Y475-S478 PolarHBondContact O-N 3.35Å; Y475-S478 VanDerWaalsContact O-N 3.13Å; Y475-S478 PolarHBondContact O-OG 3.17Å; C476-S478 PolarHBondContact O-N 3.34Å; S478-E480 PolarHBondContact O-N 3.44Å; S478-E480 PolarHBondContact OG-N 3.46Å; S478-F481 PolarHBondContact O-N 2.84Å; S478-F481 PolarHBondContact OG-N 3.49Å; S478-F481 VanDerWaalsContact OG-N 3.11Å
479S88.4Confident88.9Confident82 Ų8254 Ų5457%0.57325%0.252SS*.Hα-helixtrans-64.2-24.416959.90000112.9K482 R483S479-K482 PolarHBondContact O-N 2.79Å; S479-R483 PolarHBondContact O-N 2.87Å; S479-R483 VanDerWaalsContact O-N 3.16Å
480E87.5Confident88.3Confident60 Ų6056.9 Ų56.928%0.2827%0.273SS..Hα-helixtrans-66.3-46176.8173.6161-135.100111.9R196 Y475 S478 K482 R483 D484R196-E480 IonicContact NH1-OE2 3.65Å; R196-E480 PolarHBondContact NH1-OE2 3.45Å; Y475-E480 HydrophobicContact CE2-CG 4.13Å; S478-E480 PolarHBondContact O-N 3.44Å; S478-E480 PolarHBondContact OG-N 3.46Å; E480-K482 VanDerWaalsContact C-N 3.27Å; E480-K482 PolarHBondContact O-N 3.4Å; E480-R483 CarbonylContact O-C 3.55Å; E480-R483 WeakPolarHBondContact O-CA 3.36Å; E480-R483 VanDerWaalsContact O-CB 3.29Å; E480-R483 WeakPolarHBondContact O-CB 3.35Å; E480-R483 PolarHBondContact O-N 2.9Å; E480-R483 IonicContact OE1-NH2 2.9Å; E480-R483 PolarHBondContact OE1-NH2 3.47Å; E480-D484 PolarHBondContact O-N 3.22Å
481F89Confident87.7Confident27 Ų2762.9 Ų62.912%0.11830%0.298CS..Hα-helixtrans-55.7-43174.3175.3-101.2000112Q451 Y475 C476 S478 R483 D484 I485Q451-F481 HydrophobicContact CB-CE1 4.17Å; Q451-F481 HydrophobicContact CG-CE1 4.18Å; Y475-F481 HydrophobicContact CD1-CD2 4.07Å; Y475-F481 HydrophobicContact CE1-CB 4.47Å; Y475-F481 AromaticContact CE1-CD2 3.55Å; Y475-F481 HydrophobicContact CE1-CD2 3.55Å; Y475-F481 HydrophobicContact CE1-CE2 4.3Å; Y475-F481 HydrophobicContact CE1-CG 4.49Å; Y475-F481 HydrophobicContact CE2-CB 4.3Å; Y475-F481 AromaticContact CZ-CD2 3.92Å; Y475-F481 WeakPolarHBondContact O-CB 3.2Å; C476-F481 WeakPolarHBondContact O-CD1 3.5Å; S478-F481 PolarHBondContact O-N 2.84Å; S478-F481 PolarHBondContact OG-N 3.49Å; S478-F481 VanDerWaalsContact OG-N 3.11Å; F481-R483 VanDerWaalsContact C-N 3.27Å; F481-R483 PolarHBondContact O-N 3.38Å; F481-D484 PolarHBondContact O-N 3.09Å; F481-I485 HydrophobicContact CD1-CG1 4.18Å; F481-I485 HydrophobicContact CD2-CG1 4.18Å; F481-I485 HydrophobicContact CE1-CD1 4.47Å; F481-I485 HydrophobicContact CE1-CG1 3.8Å; F481-I485 HydrophobicContact CE2-CD1 3.91Å; F481-I485 HydrophobicContact CE2-CG1 3.82Å; F481-I485 HydrophobicContact CG-CG1 4.36Å; F481-I485 HydrophobicContact CZ-CD1 3.82Å; F481-I485 HydrophobicContact CZ-CG1 3.62Å; F481-I485 WeakPolarHBondContact O-CB 3.13Å; F481-I485 WeakPolarHBondContact O-CG1 3.37Å; F481-I485 PolarHBondContact O-N 3.4Å
482K85.6Confident87.1Confident72 Ų7263.9 Ų63.931%0.31330%0.304SS..Hα-helixtrans-62.9-33.5175.4-64.6-178.3-177.2177.30112.8Q199 S479 E480 R486Q199-K482 VanDerWaalsContact NE2-NZ 3.19Å; S479-K482 PolarHBondContact O-N 2.79Å; E480-K482 VanDerWaalsContact C-N 3.27Å; E480-K482 PolarHBondContact O-N 3.4Å; K482-R486 VanDerWaalsContact O-CG 3.28Å; K482-R486 WeakPolarHBondContact O-CG 3.36Å; K482-R486 PolarHBondContact O-N 2.83Å; K482-R486 PolarHBondContact O-NE 3.07Å
483R87.2Confident86.5Confident110 Ų11071.7 Ų71.742%0.41534%0.336SS..Hα-helixtrans-70.7-42.8174.6179.1-176.465.6-166.4-2.8110.6S479 E480 F481 R486 K487S479-R483 PolarHBondContact O-N 2.87Å; S479-R483 VanDerWaalsContact O-N 3.16Å; E480-R483 CarbonylContact O-C 3.55Å; E480-R483 WeakPolarHBondContact O-CA 3.36Å; E480-R483 VanDerWaalsContact O-CB 3.29Å; E480-R483 WeakPolarHBondContact O-CB 3.35Å; E480-R483 PolarHBondContact O-N 2.9Å; E480-R483 IonicContact OE1-NH2 2.9Å; E480-R483 PolarHBondContact OE1-NH2 3.47Å; F481-R483 VanDerWaalsContact C-N 3.27Å; F481-R483 PolarHBondContact O-N 3.38Å; R483-R486 WeakPolarHBondContact O-CB 3.25Å; R483-R486 PolarHBondContact O-N 3.49Å; R483-K487 WeakPolarHBondContact O-CG 3.48Å; R483-K487 PolarHBondContact O-N 3.01Å
484D87.1Confident85.8Confident33 Ų3377.5 Ų77.518%0.17637%0.367CS..Hα-helixtrans-73.8-37.8-175.4-65.2-15.6000111.7Y475 E480 F481 R486 K487 L488Y475-D484 PolarHBondContact OH-OD2 2.96Å; E480-D484 PolarHBondContact O-N 3.22Å; F481-D484 PolarHBondContact O-N 3.09Å; D484-R486 VanDerWaalsContact C-N 3.3Å; D484-R486 PolarHBondContact O-N 2.75Å; D484-K487 WeakPolarHBondContact O-CB 3.48Å; D484-K487 PolarHBondContact O-N 3.32Å; D484-K487 IonicContact OD1-NZ 3.77Å; D484-L488 WeakPolarHBondContact O-CB 3.47Å; D484-L488 WeakPolarHBondContact O-CG 3.5Å; D484-L488 PolarHBondContact O-N 3.04Å
485I84.8Confident84.8Confident58 Ų5880 Ų8030%0.29738%0.38SS..Hα-helixtrans-60.3-38.9168.8-67.7-65.3000111.6F481 L488 K489F481-I485 HydrophobicContact CD1-CG1 4.18Å; F481-I485 HydrophobicContact CD2-CG1 4.18Å; F481-I485 HydrophobicContact CE1-CD1 4.47Å; F481-I485 HydrophobicContact CE1-CG1 3.8Å; F481-I485 HydrophobicContact CE2-CD1 3.91Å; F481-I485 HydrophobicContact CE2-CG1 3.82Å; F481-I485 HydrophobicContact CG-CG1 4.36Å; F481-I485 HydrophobicContact CZ-CD1 3.82Å; F481-I485 HydrophobicContact CZ-CG1 3.62Å; F481-I485 WeakPolarHBondContact O-CB 3.13Å; F481-I485 WeakPolarHBondContact O-CG1 3.37Å; F481-I485 PolarHBondContact O-N 3.4Å; I485-L488 PolarHBondContact O-N 2.84Å; I485-K489 HydrophobicContact CG2-CD 4.14Å; I485-K489 HydrophobicContact CG2-CG 4.48Å; I485-K489 WeakPolarHBondContact O-CB 3.38Å; I485-K489 VanDerWaalsContact O-CG 3.3Å; I485-K489 WeakPolarHBondContact O-CG 3.34Å; I485-K489 PolarHBondContact O-N 3.49Å
486R85.9Confident83.8Confident168 Ų16879.9 Ų79.963%0.63439%0.386SS*.Hα-helixtrans-64.9-42.6174.7-78.5-178.6-68.8161.8-2.8111.7K482 R483 D484 K489 S490K482-R486 VanDerWaalsContact O-CG 3.28Å; K482-R486 WeakPolarHBondContact O-CG 3.36Å; K482-R486 PolarHBondContact O-N 2.83Å; K482-R486 PolarHBondContact O-NE 3.07Å; R483-R486 WeakPolarHBondContact O-CB 3.25Å; R483-R486 PolarHBondContact O-N 3.49Å; D484-R486 VanDerWaalsContact C-N 3.3Å; D484-R486 PolarHBondContact O-N 2.75Å; R486-K489 PolarHBondContact O-N 3.18Å; R486-S490 WeakPolarHBondContact O-CB 3.42Å; R486-S490 PolarHBondContact O-N 2.98Å
487K84.7Confident82.7Confident123 Ų12383.4 Ų83.454%0.53540%0.404SS..Hα-helixtrans-62.5-46.4175.2-72.4175.3179.8171.50111.6R483 D484 K489 S490 F491R483-K487 WeakPolarHBondContact O-CG 3.48Å; R483-K487 PolarHBondContact O-N 3.01Å; D484-K487 WeakPolarHBondContact O-CB 3.48Å; D484-K487 PolarHBondContact O-N 3.32Å; D484-K487 IonicContact OD1-NZ 3.77Å; K487-K489 PolarHBondContact O-N 3.39Å; K487-S490 CarbonylContact O-C 3.51Å; K487-S490 WeakPolarHBondContact O-CB 3.45Å; K487-S490 PolarHBondContact O-N 2.94Å; K487-F491 WeakPolarHBondContact O-CB 2.9Å; K487-F491 PolarHBondContact O-N 2.92Å
488L83.2Confident81.4Confident105 Ų10588 Ų8855%0.5543%0.433SS..Hα-helixtrans-62.1-43.4178-73.7170.5000111.8D484 I485 S490 F491 S492D484-L488 WeakPolarHBondContact O-CB 3.47Å; D484-L488 WeakPolarHBondContact O-CG 3.5Å; D484-L488 PolarHBondContact O-N 3.04Å; I485-L488 PolarHBondContact O-N 2.84Å; L488-S490 VanDerWaalsContact C-N 3.33Å; L488-S490 PolarHBondContact O-N 3.39Å; L488-F491 PolarHBondContact O-N 2.97Å; L488-S492 WeakPolarHBondContact O-CB 3.45Å; L488-S492 PolarHBondContact O-N 3.34Å
489K82.9Confident80Confident137 Ų13792.4 Ų92.460%0.59646%0.464SS*.Hα-helixtrans-62.7-39.2173.9-75178.8178.3-176.20112.2I485 R486 K487 K493I485-K489 HydrophobicContact CG2-CD 4.14Å; I485-K489 HydrophobicContact CG2-CG 4.48Å; I485-K489 WeakPolarHBondContact O-CB 3.38Å; I485-K489 VanDerWaalsContact O-CG 3.3Å; I485-K489 WeakPolarHBondContact O-CG 3.34Å; I485-K489 PolarHBondContact O-N 3.49Å; R486-K489 PolarHBondContact O-N 3.18Å; K487-K489 PolarHBondContact O-N 3.39Å; K489-K493 VanDerWaalsContact O-CG 3.29Å; K489-K493 WeakPolarHBondContact O-CG 3.23Å; K489-K493 PolarHBondContact O-N 2.9Å
490S82.9Confident78.7Confident62 Ų6294.7 Ų94.743%0.43447%0.469SS..Hα-helixtrans-67.2-40174.8-171.50000111.9R486 K487 L488 N494R486-S490 WeakPolarHBondContact O-CB 3.42Å; R486-S490 PolarHBondContact O-N 2.98Å; K487-S490 CarbonylContact O-C 3.51Å; K487-S490 WeakPolarHBondContact O-CB 3.45Å; K487-S490 PolarHBondContact O-N 2.94Å; L488-S490 VanDerWaalsContact C-N 3.33Å; L488-S490 PolarHBondContact O-N 3.39Å; S490-N494 WeakPolarHBondContact O-CB 3.45Å; S490-N494 VanDerWaalsContact O-CG 3.27Å; S490-N494 PolarHBondContact O-N 2.72Å; S490-N494 PolarHBondContact O-ND2 3.38Å
491F80.3Confident77.2Confident136 Ų13697 Ų9760%0.59648%0.482SS*.Hα-helixtrans-65.3-49.3178178.5-109.2000111.1K487 L488 K493 N494 L495K487-F491 WeakPolarHBondContact O-CB 2.9Å; K487-F491 PolarHBondContact O-N 2.92Å; L488-F491 PolarHBondContact O-N 2.97Å; F491-K493 VanDerWaalsContact C-N 3.3Å; F491-K493 PolarHBondContact O-N 3.06Å; F491-N494 CarbonylContact O-C 3.58Å; F491-N494 PolarHBondContact O-N 3.45Å; F491-L495 HydrophobicContact CD1-CD1 3.64Å; F491-L495 HydrophobicContact CD2-CD1 4.05Å; F491-L495 HydrophobicContact CE1-CD1 3.13Å; F491-L495 HydrophobicContact CE2-CD1 3.57Å; F491-L495 HydrophobicContact CG-CD1 4.09Å; F491-L495 HydrophobicContact CZ-CD1 3.09Å; F491-L495 WeakPolarHBondContact O-CB 3.49Å; F491-L495 PolarHBondContact O-N 2.94Å
492S77.1Confident75.5Confident46 Ų46100.9 Ų100.932%0.32251%0.51SS..Hα-helixtrans-56.4-41.6176.2170.30000112.4L488 N494 L495L488-S492 WeakPolarHBondContact O-CB 3.45Å; L488-S492 PolarHBondContact O-N 3.34Å; S492-N494 VanDerWaalsContact C-N 3.3Å; S492-N494 PolarHBondContact O-N 3.07Å; S492-L495 WeakPolarHBondContact O-CB 3.1Å; S492-L495 PolarHBondContact O-N 2.83Å
493K78.7Confident74Confident178 Ų178105.2 Ų105.277%0.77454%0.537SS*.Hα-helixtrans-66.8-28.7175.8-75.3179.5179.4-169.30114.2K489 F491K489-K493 VanDerWaalsContact O-CG 3.29Å; K489-K493 WeakPolarHBondContact O-CG 3.23Å; K489-K493 PolarHBondContact O-N 2.9Å; F491-K493 VanDerWaalsContact C-N 3.3Å; F491-K493 PolarHBondContact O-N 3.06Å
494N76.4Confident72.1Confident127 Ų127106 Ų10668%0.67955%0.548SS*.THydrogen-bonded Turntrans-98.93.9-179.4-64.4-21.5000112.2S490 F491 S492 D496S490-N494 WeakPolarHBondContact O-CB 3.45Å; S490-N494 VanDerWaalsContact O-CG 3.27Å; S490-N494 PolarHBondContact O-N 2.72Å; S490-N494 PolarHBondContact O-ND2 3.38Å; F491-N494 CarbonylContact O-C 3.58Å; F491-N494 PolarHBondContact O-N 3.45Å; S492-N494 VanDerWaalsContact C-N 3.3Å; S492-N494 PolarHBondContact O-N 3.07Å; N494-D496 PolarHBondContact O-N 3.31Å; N494-D496 VanDerWaalsContact O-N 3.1Å
495L72.2Confident70.2Confident55 Ų55109.8 Ų109.829%0.28857%0.572SS.*  trans-79.692.6-176.9-147.289.8000109.7F491 S492 L497F491-L495 HydrophobicContact CD1-CD1 3.64Å; F491-L495 HydrophobicContact CD2-CD1 4.05Å; F491-L495 HydrophobicContact CE1-CD1 3.13Å; F491-L495 HydrophobicContact CE2-CD1 3.57Å; F491-L495 HydrophobicContact CG-CD1 4.09Å; F491-L495 HydrophobicContact CZ-CD1 3.09Å; F491-L495 WeakPolarHBondContact O-CB 3.49Å; F491-L495 PolarHBondContact O-N 2.94Å; S492-L495 WeakPolarHBondContact O-CB 3.1Å; S492-L495 PolarHBondContact O-N 2.83Å; L495-L497 HydrophobicContact CD2-CD1 4.15Å; L495-L497 HydrophobicContact CD2-CD2 3.61Å; L495-L497 HydrophobicContact CD2-CG 3.78Å; L495-L497 HydrophobicContact CG-CD2 4.2Å; L495-L497 HydrophobicContact CG-CG 4.34Å; L495-L497 PolarHBondContact O-N 2.8Å
496D69.8Low68.3Low95 Ų95116.7 Ų116.751%0.50860%0.6SS.*  trans-88.487.2170-174.58.1000110.6N494 T498 S499N494-D496 PolarHBondContact O-N 3.31Å; N494-D496 VanDerWaalsContact O-N 3.1Å; D496-T498 VanDerWaalsContact CG-OG1 3.28Å; D496-T498 PolarHBondContact O-N 2.98Å; D496-T498 VanDerWaalsContact OD1-CB 3.29Å; D496-T498 WeakPolarHBondContact OD1-CB 3.22Å; D496-T498 WeakPolarHBondContact OD1-CG2 3.39Å; D496-T498 PolarHBondContact OD1-N 3.19Å; D496-T498 PolarHBondContact OD1-OG1 3.48Å; D496-T498 PolarHBondContact OD2-OG1 3.03Å; D496-S499 WeakPolarHBondContact O-CB 3.26Å; D496-S499 PolarHBondContact O-N 3.49Å; D496-S499 PolarHBondContact O-OG 3.28Å
497L68.7Low66.3Low77 Ų77119 Ų11940%0.40361%0.609SS.*G310 helixtrans-66.9-14.8175.5-66.1174.9000112.9L495 S499 L500 I514L495-L497 HydrophobicContact CD2-CD1 4.15Å; L495-L497 HydrophobicContact CD2-CD2 3.61Å; L495-L497 HydrophobicContact CD2-CG 3.78Å; L495-L497 HydrophobicContact CG-CD2 4.2Å; L495-L497 HydrophobicContact CG-CG 4.34Å; L495-L497 PolarHBondContact O-N 2.8Å; L497-S499 PolarHBondContact O-N 3.22Å; L497-L500 HydrophobicContact CD2-CD1 3.75Å; L497-L500 WeakPolarHBondContact O-CB 3.47Å; L497-L500 PolarHBondContact O-N 2.86Å; L497-I514 HydrophobicContact CD1-CD1 4.18Å
498T65.4Low64.4Low97 Ų97119.4 Ų119.460%0.59562%0.624SS**G310 helixtrans-65.4-26.9177.572.20000111.4D496 L500 L501D496-T498 VanDerWaalsContact CG-OG1 3.28Å; D496-T498 PolarHBondContact O-N 2.98Å; D496-T498 VanDerWaalsContact OD1-CB 3.29Å; D496-T498 WeakPolarHBondContact OD1-CB 3.22Å; D496-T498 WeakPolarHBondContact OD1-CG2 3.39Å; D496-T498 PolarHBondContact OD1-N 3.19Å; D496-T498 PolarHBondContact OD1-OG1 3.48Å; D496-T498 PolarHBondContact OD2-OG1 3.03Å; T498-L500 PolarHBondContact O-N 3.31Å; T498-L501 PolarHBondContact O-N 3.45Å
499S62.7Low62.6Low93 Ų93117.9 Ų117.965%0.6563%0.634SS**G310 helixtrans-63.2-21.3172.269.70000114.1D496 L497D496-S499 WeakPolarHBondContact O-CB 3.26Å; D496-S499 PolarHBondContact O-N 3.49Å; D496-S499 PolarHBondContact O-OG 3.28Å; L497-S499 PolarHBondContact O-N 3.22Å
500L60.1Low60.4Low130 Ų130122.1 Ų122.168%0.68165%0.648SS**G310 helixtrans-92.8-9.5179.5-67.3169.2000113.1L497 T498 P502L497-L500 HydrophobicContact CD2-CD1 3.75Å; L497-L500 WeakPolarHBondContact O-CB 3.47Å; L497-L500 PolarHBondContact O-N 2.86Å; T498-L500 PolarHBondContact O-N 3.31Å; L500-P502 VanDerWaalsContact O-CD 3.26Å; L500-P502 WeakPolarHBondContact O-CD 3.29Å
501L57.7Low58.4Low107 Ų107125.1 Ų125.156%0.5666%0.663SS**SBendtrans-84.5114.4178.7-71.2172.7000109.7T498 N503 I504T498-L501 PolarHBondContact O-N 3.45Å; L501-N503 PolarHBondContact O-N 2.97Å; L501-I504 HydrophobicContact CD2-CD1 4.28Å
502P52.4Low56.6Low109 Ų109123.3 Ų123.371%0.70867%0.667SS**  trans-68.899.5174.327.1-31.3000109L500 I504L500-P502 VanDerWaalsContact O-CD 3.26Å; L500-P502 WeakPolarHBondContact O-CD 3.29Å; P502-I504 WeakPolarHBondContact O-CG1 3.32Å; P502-I504 PolarHBondContact O-N 3.25Å
503N53Low54.7Low164 Ų164129 Ų12988%0.87769%0.689SS**  trans32.647.4168.5-74.1-28.3000115.2L501 V505L501-N503 PolarHBondContact O-N 2.97Å; N503-V505 PolarHBondContact O-N 2.67Å; N503-V505 VanDerWaalsContact O-N 3.09Å
504I47.9Very low52.7Low125 Ų125125.7 Ų125.764%0.64168%0.678SS**  trans-75.8110.1174.2-60.4-175.2000106.6L501 P502 K506L501-I504 HydrophobicContact CD2-CD1 4.28Å; P502-I504 WeakPolarHBondContact O-CG1 3.32Å; P502-I504 PolarHBondContact O-N 3.25Å; I504-K506 PolarHBondContact O-N 3.29Å
505V47.8Very low50.7Low113 Ų113127 Ų12769%0.68569%0.685SS**  trans-32.8117.61721780000110.3N503 W507N503-V505 PolarHBondContact O-N 2.67Å; N503-V505 VanDerWaalsContact O-N 3.09Å; V505-W507 PolarHBondContact O-N 3.48Å
506K44.7Very low48.9Very low204 Ų204134.3 Ų134.389%0.88772%0.715SS**  trans-48.699.8174.1-70.6177.7175.6179.10109.9I504I504-K506 PolarHBondContact O-N 3.29Å
507W42.9Very low47.8Very low217 Ų217136.3 Ų136.382%0.82273%0.726SS**  trans-80.6126.4161.9-91.854000108.1V505 G509V505-W507 PolarHBondContact O-N 3.48Å; W507-G509 PolarHBondContact O-N 2.96Å
508P45.5Very low46.7Very low130 Ų130139.4 Ų139.484%0.84474%0.743SS**THydrogen-bonded Turntrans-68.7116175.69.10.4000108.8
509G45.5Very low45.7Very low74 Ų74141.8 Ų141.876%0.76375%0.751SS**THydrogen-bonded Turntrans135.6-4.716500000117.9W507W507-G509 PolarHBondContact O-N 2.96Å
510Y37.5Very low44.7Very low225 Ų225144.6 Ų144.688%0.88276%0.757SS**  trans-94106.6-179.4-116.8-95.1000112.6
511V41Very low43.7Very low125 Ų125145.6 Ų145.676%0.75876%0.762SS**  trans-90.299.4167.5179.60000107.4Q513V511-Q513 PolarHBondContact O-N 3.27Å
512S42.2Very low42.8Very low98 Ų98148.1 Ų148.169%0.68578%0.775SS**  trans-8387.4170.758.70000109.5
513Q35.8Very low42.1Very low167 Ų167150.9 Ų150.978%0.7878%0.78SS**  trans-84.7105.6156-93.2-178.3-26.100107.5V511V511-Q513 PolarHBondContact O-N 3.27Å
514I36.9Very low41.3Very low107 Ų107149.9 Ų149.955%0.54977%0.772SS.*  trans-91.5102.5165.4-60.1173.6000105.5L497 F516L497-I514 HydrophobicContact CD1-CD1 4.18Å; I514-F516 HydrophobicContact CG2-CD2 4.45Å; I514-F516 HydrophobicContact CG2-CE2 4.29Å
515D35.9Very low40.7Very low154 Ų154152 Ų15282%0.82478%0.783SS**  trans-75127.8167.4-91.9-27.6000109
516F32.8Very low40.1Very low210 Ų210155.5 Ų155.592%0.92179%0.792SS**  trans-94.90176.2-89.6-80.4000112.6I514I514-F516 HydrophobicContact CG2-CD2 4.45Å; I514-F516 HydrophobicContact CG2-CE2 4.29Å

Retrieved 516 of 516 residues in 513.3 ms (Link to these results)

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