A0A087XML5_POEFO Loading...

Peroxisomal sarcosine oxidase

Metabolizes sarcosine, L-pipecolic acid and L-proline.

AlphaFold DB , UniProt , Accession A0A087XML5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M40.9Very low36.1Very low243 Ų243143.4 Ų143.4100%1.19783%0.829SS**  0107.70-81175.7175.200106.7
2T32.5Very low37.2Very low137 Ų137142.7 Ų142.784%0.8482%0.816SS**  trans-86.2124.9-164.7-29.70000109.5V4T2-V4 PolarHBondContact O-N 3.42Å
3T35.4Very low38.5Very low129 Ų129139.2 Ų139.279%0.79181%0.805SS**  trans-68.8119.4174.6-44.30000109.1
4V34.6Very low40.2Very low115 Ų115132.2 Ų132.270%0.69777%0.772SS**  trans-91.3112171.41780000107.6T2T2-V4 PolarHBondContact O-N 3.42Å
5C34.4Very low41.9Very low112 Ų112131 Ų13176%0.75775%0.754SS**  trans-71.6122.8165.7-65.70000108.6
6H31.3Very low44Very low173 Ų173129.1 Ų129.180%0.80174%0.736SS**  trans-85.8107.4164-87.3-69.4000108.6
7E34.3Very low46.8Very low180 Ų180127.5 Ų127.584%0.84173%0.725SS**  trans-80107.7160.7-78.5-179154.600108.6S9E7-S9 PolarHBondContact O-N 3.27Å; E7-S9 VanDerWaalsContact O-N 3.15Å
8E35.6Very low49.6Very low192 Ų192121.1 Ų121.190%0.89769%0.687SS**  trans-77.791.2164.7-78.5-173.2156.300109.4G10E8-G10 PolarHBondContact O-N 3.15Å
9S37.8Very low52.2Low113 Ų113117.2 Ų117.279%0.7967%0.665SS**  trans-84.683.3164.452.10000109.5E7 S11E7-S9 PolarHBondContact O-N 3.27Å; E7-S9 VanDerWaalsContact O-N 3.15Å; S9-S11 PolarHBondContact O-N 2.99Å
10G37Very low54.5Low70 Ų70111.5 Ų111.572%0.72263%0.632SS**  trans-65.796.7169.500000110.7E8 M12E8-G10 PolarHBondContact O-N 3.15Å; G10-M12 PolarHBondContact O-N 2.97Å
11S43Very low56.6Low113 Ų113106.1 Ų106.179%0.7960%0.602SS**  trans-61.7100.1167.61750000109.2S9 S13S9-S11 PolarHBondContact O-N 2.99Å; S11-S13 PolarHBondContact O-N 2.65Å
12M49.4Very low59.4Low135 Ų13594.6 Ų94.667%0.66555%0.545SS*.  trans-65.698.6165.9-76-164.7-11300108.3G10 V202G10-M12 PolarHBondContact O-N 2.97Å; M12-V202 HydrophobicContact CB-CG2 4.23Å; M12-V202 HydrophobicContact SD-CG2 4.46Å
13S54.3Low62.6Low97 Ų9788.4 Ų88.468%0.67851%0.507SS*.  trans-60.6136.8173.862.10000110.3S11 K15S11-S13 PolarHBondContact O-N 2.65Å; S13-K15 PolarHBondContact O-N 3.36Å
14A62.5Low65.6Low42 Ų4282.7 Ų82.735%0.34747%0.473SS..  trans-56.6131.2176.500000110.6Q204A14-Q204 HydrophobicContact CB-CG 4.04Å
15K65.5Low68.6Low114 Ų11477.2 Ų77.250%0.49644%0.44SS..  trans-70.9-33.9-174.8-84.4-176.1166.6-177.20113S13 G200 V202 Y203S13-K15 PolarHBondContact O-N 3.36Å; K15-G200 WeakPolarHBondContact CE-O 3.44Å; K15-G200 PolarHBondContact NZ-O 2.98Å; K15-V202 PolarHBondContact N-O 2.89Å; K15-Y203 HydrophobicContact CB-CD1 4.25Å; K15-Y203 HydrophobicContact CB-CE1 4.01Å; K15-Y203 HydrophobicContact CD-CE1 4.26Å
16Q75.8Confident71.7Confident101 Ų10172.7 Ų72.747%0.47241%0.413SS..  trans-174.6149.2-179-103.9160.354.300111.7Y18 Q204Q16-Y18 HydrophobicContact CB-CD2 4.45Å; Q16-Y18 HydrophobicContact CB-CE2 3.69Å; Q16-Y18 PolarHBondContact OE1-OH 3.01Å; Q16-Q204 PolarHBondContact O-N 2.48Å
17D91.3Very high74.9Confident102 Ų10264.8 Ų64.855%0.54538%0.376SS..EExtended strand (participates in β ladder)trans-89.7136.5171.8-67.5-24.3000111.8K42 Q204D17-K42 WeakPolarHBondContact O-CD 3.47Å; D17-K42 VanDerWaalsContact O-CE 3.28Å; D17-K42 WeakPolarHBondContact O-CE 3.46Å; D17-K42 PolarHBondContact O-NZ 3.24Å; D17-Q204 PolarHBondContact OD1-OE1 2.99Å
18Y98.1Very high78Confident12 Ų1256.7 Ų56.75%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-125.4154177.3-66.4-88.3000111.8Q16 V21 K42 L44 Y203 Q204 A205 R206Q16-Y18 HydrophobicContact CB-CD2 4.45Å; Q16-Y18 HydrophobicContact CB-CE2 3.69Å; Q16-Y18 PolarHBondContact OE1-OH 3.01Å; Y18-V21 HydrophobicContact CD2-CG2 4.42Å; Y18-K42 HydrophobicContact CD1-CD 4.31Å; Y18-K42 HydrophobicContact CD1-CG 3.9Å; Y18-K42 HydrophobicContact CE1-CG 4.38Å; Y18-L44 HydrophobicContact CD1-CB 3.69Å; Y18-L44 HydrophobicContact CD2-CB 4.1Å; Y18-L44 HydrophobicContact CD2-CD2 4.2Å; Y18-L44 HydrophobicContact CE1-CB 3.65Å; Y18-L44 HydrophobicContact CE2-CB 4.04Å; Y18-L44 HydrophobicContact CE2-CD2 3.75Å; Y18-L44 HydrophobicContact CE2-CG 4.39Å; Y18-L44 HydrophobicContact CG-CB 3.93Å; Y18-Y203 AromaticContact CE2-CD1 3.87Å; Y18-Y203 HydrophobicContact CE2-CD1 3.87Å; Y18-Y203 HydrophobicContact CE2-CE1 4.49Å; Y18-Q204 PolarHBondContact N-O 2.88Å; Y18-A205 VanDerWaalsContact O-CA 3.28Å; Y18-A205 WeakPolarHBondContact O-CA 3.46Å; Y18-R206 PolarHBondContact O-N 2.99Å
19D98.3Very high81Confident47 Ų4747.5 Ų47.525%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-70.5-40167.3-69-45.9000110K41 K42 R206 N207D19-K41 HydrophobicContact CB-CB 4.07Å; D19-K41 HydrophobicContact CB-CD 4.41Å; D19-K42 PolarHBondContact N-O 3.34Å; D19-K42 PolarHBondContact OD2-N 3.04Å; D19-R206 PolarHBondContact O-N 3.48Å; D19-N207 PolarHBondContact O-N 2.71Å; D19-N207 VanDerWaalsContact O-N 3.1Å
20C98.7Very high83.9Confident2 Ų242.1 Ų42.11%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-145.1138.9177.7-169.20000113.2L36 K42 T43 L44 N207C20-L36 HydrophobicContact CB-CD1 3.88Å; C20-L36 HydrophobicContact CB-CD2 4.32Å; C20-K42 PolarHBondContact N-O 2.88Å; C20-T43 WeakPolarHBondContact O-CA 3.41Å; C20-L44 PolarHBondContact O-N 2.85Å; C20-N207 VanDerWaalsContact CA-O 3.26Å; C20-N207 WeakPolarHBondContact CA-O 3.4Å; C20-N207 HydrophobicContact CB-CB 4.49Å; C20-N207 PolarHBondContact SG-O 2.85Å
21V98.8Very high86.8Confident0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-108.2123.5165.3169.20000108.7Y18 I23 L44 L46 V196 A205 N207 V208 V209Y18-V21 HydrophobicContact CD2-CG2 4.42Å; V21-I23 HydrophobicContact CG1-CG1 4.01Å; V21-L44 CarbonylContact C-O 3.58Å; V21-L44 WeakPolarHBondContact CA-O 3.33Å; V21-L44 HydrophobicContact CG2-CB 4.06Å; V21-L44 HydrophobicContact CG2-CD2 4.13Å; V21-L46 HydrophobicContact CG1-CD1 3.67Å; V21-L46 HydrophobicContact CG1-CG 4.16Å; V21-V196 HydrophobicContact CG1-CG2 4.3Å; V21-A205 HydrophobicContact CB-CB 4.05Å; V21-A205 HydrophobicContact CG2-CB 3.6Å; V21-N207 PolarHBondContact N-O 3.02Å; V21-V208 HydrophobicContact CB-CG2 4.37Å; V21-V208 CarbonylContact O-C 3.58Å; V21-V208 VanDerWaalsContact O-CA 3.26Å; V21-V208 WeakPolarHBondContact O-CA 3.35Å; V21-V209 PolarHBondContact O-N 3.25Å
22V98.9Very high89.5Confident0 Ų033.6 Ų33.60%019%0.187CC..EExtended strand (participates in β ladder)trans-102.5126.4173.2-1760000108.6T32 A33 L36 T43 L44 L45 L46 V209V22-T32 HydrophobicContact CG2-CG2 4.21Å; V22-A33 HydrophobicContact CG2-CB 4.24Å; V22-L36 HydrophobicContact CG2-CD1 3.7Å; V22-T43 HydrophobicContact CG2-CG2 4.04Å; V22-L44 PolarHBondContact N-O 2.81Å; V22-L45 HydrophobicContact CB-CD1 3.73Å; V22-L45 HydrophobicContact CG1-CD1 3.64Å; V22-L45 WeakPolarHBondContact O-CA 3.36Å; V22-L46 PolarHBondContact O-N 2.88Å; V22-V209 CarbonylContact C-O 3.5Å; V22-V209 WeakPolarHBondContact CA-O 3.44Å; V22-V209 HydrophobicContact CG1-CB 4.37Å; V22-V209 HydrophobicContact CG2-CB 4.26Å
23I98.9Very high91.9Very high8 Ų827.1 Ų27.14%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-106.1117.7-176.4-53.6172.2000110V21 V185 I188 V196 V208 V209 I210 T211 A212 L219V21-I23 HydrophobicContact CG1-CG1 4.01Å; I23-V185 HydrophobicContact CD1-CG1 4.29Å; I23-V185 HydrophobicContact CD1-CG2 4.08Å; I23-V185 HydrophobicContact CG1-CG2 4.14Å; I23-V185 HydrophobicContact CG2-CB 4.3Å; I23-V185 HydrophobicContact CG2-CG2 3.72Å; I23-I188 HydrophobicContact CD1-CD1 3.61Å; I23-I188 HydrophobicContact CD1-CG1 4.19Å; I23-V196 HydrophobicContact CD1-CG1 4.3Å; I23-V208 HydrophobicContact CD1-CG1 3.7Å; I23-V208 HydrophobicContact CG1-CG1 4.23Å; I23-V209 PolarHBondContact N-O 3.01Å; I23-I210 HydrophobicContact CD1-CG1 4.46Å; I23-T211 CarbonylContact O-C 3.55Å; I23-T211 VanDerWaalsContact O-C 3.28Å; I23-T211 WeakPolarHBondContact O-CA 3.38Å; I23-T211 PolarHBondContact O-N 2.91Å; I23-T211 PolarHBondContact O-OG1 3Å; I23-T211 VanDerWaalsContact O-OG1 3.09Å; I23-A212 PolarHBondContact O-N 2.59Å; I23-L219 HydrophobicContact CB-CD1 4.44Å; I23-L219 HydrophobicContact CG2-CD1 3.56Å
24G98.8Very high94Very high8 Ų822.8 Ų22.88%0.08212%0.124CC..  trans100.4107.3-177.200000111.9G26 G29 L46 T211G24-G26 PolarHBondContact O-N 2.89Å; G24-G29 WeakPolarHBondContact O-CA 3.42Å; G24-L46 WeakPolarHBondContact CA-O 3.41Å; G24-L46 PolarHBondContact N-O 3.03Å; G24-T211 PolarHBondContact O-OG1 2.93Å
25A98.6Very high95.7Very high0 Ų021.6 Ų21.60%011%0.111CC..  trans-87.130.4-179.900000113.2S30 L45 E47 L51 Q169A25-S30 PolarHBondContact O-OG 3.09Å; A25-L45 HydrophobicContact CB-CD1 4.16Å; A25-L45 HydrophobicContact CB-CD2 3.73Å; A25-L45 HydrophobicContact CB-CG 3.78Å; A25-E47 HydrophobicContact CB-CB 3.64Å; A25-E47 HydrophobicContact CB-CG 4.12Å; A25-E47 PolarHBondContact N-OE2 3.49Å; A25-L51 HydrophobicContact CB-CD1 4.09Å; A25-L51 HydrophobicContact CB-CD2 4.49Å; A25-Q169 PolarHBondContact O-NE2 2.99Å; A25-Q169 VanDerWaalsContact O-NE2 3.08Å
26G98.5Very high97.3Very high18 Ų1816.2 Ų16.219%0.1869%0.088CC..SBendtrans-67.9-173.8165.600000112G24 Q28 G29 S30G24-G26 PolarHBondContact O-N 2.89Å; G26-Q28 VanDerWaalsContact C-N 3.3Å; G26-Q28 PolarHBondContact O-N 2.85Å; G26-G29 PolarHBondContact O-N 3.31Å; G26-S30 VanDerWaalsContact O-CB 3.29Å; G26-S30 WeakPolarHBondContact O-CB 3.15Å; G26-S30 PolarHBondContact O-N 2.86Å; G26-S30 PolarHBondContact O-OG 2.82Å
27V98.6Very high98.4Very high6 Ų611.7 Ų11.74%0.0367%0.067CC..Hα-helixtrans-56.3-42.8-178.166.80000112.5F31 S58 F360V27-F31 HydrophobicContact CG2-CD2 3.96Å; V27-F31 HydrophobicContact CG2-CE2 4.03Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.36Å; V27-F31 PolarHBondContact O-N 2.87Å; V27-F31 VanDerWaalsContact O-N 3.14Å; V27-S58 PolarHBondContact N-OG 3.34Å; V27-F360 HydrophobicContact CB-CD2 3.8Å; V27-F360 HydrophobicContact CB-CE2 3.74Å; V27-F360 HydrophobicContact CB-CG 4.45Å; V27-F360 HydrophobicContact CB-CZ 4.34Å; V27-F360 HydrophobicContact CG1-CB 4.49Å; V27-F360 HydrophobicContact CG1-CD2 3.78Å; V27-F360 HydrophobicContact CG1-CE2 4.25Å; V27-F360 HydrophobicContact CG1-CG 4.26Å; V27-F360 HydrophobicContact CG2-CD1 4.36Å; V27-F360 HydrophobicContact CG2-CD2 3.95Å; V27-F360 HydrophobicContact CG2-CE1 4.22Å; V27-F360 HydrophobicContact CG2-CE2 3.81Å; V27-F360 HydrophobicContact CG2-CG 4.21Å; V27-F360 HydrophobicContact CG2-CZ 3.92Å
28Q98.8Very high98.7Very high10 Ų1010.1 Ų10.15%0.0476%0.056CC..Hα-helixtrans-69.8-52.2-176.8-49.2-59.6-6.800111.3G26 S30 F31 T32 T211 F355 G359 I366G26-Q28 VanDerWaalsContact C-N 3.3Å; G26-Q28 PolarHBondContact O-N 2.85Å; Q28-S30 VanDerWaalsContact C-N 3.32Å; Q28-S30 PolarHBondContact O-N 3.07Å; Q28-F31 PolarHBondContact O-N 2.89Å; Q28-T32 PolarHBondContact O-N 2.76Å; Q28-T32 PolarHBondContact O-OG1 2.79Å; Q28-T211 HydrophobicContact CB-CG2 3.95Å; Q28-F355 HydrophobicContact CB-CE2 4.28Å; Q28-F355 HydrophobicContact CB-CZ 4.2Å; Q28-F355 HydrophobicContact CG-CD2 4.05Å; Q28-F355 HydrophobicContact CG-CE1 4.12Å; Q28-F355 HydrophobicContact CG-CE2 3.58Å; Q28-F355 HydrophobicContact CG-CG 4.5Å; Q28-F355 HydrophobicContact CG-CZ 3.61Å; Q28-G359 PolarHBondContact NE2-O 2.91Å; Q28-I366 HydrophobicContact CB-CG2 4.43Å; Q28-I366 VanDerWaalsContact OE1-CB 3.31Å; Q28-I366 VanDerWaalsContact OE1-CG2 3.28Å
29G98.9Very high98.7Very high0 Ų013.2 Ų13.20%07%0.071CC..Hα-helixtrans-63.6-37.1179.800000113.1G24 G26 T32 A33 T211G24-G29 WeakPolarHBondContact O-CA 3.42Å; G26-G29 PolarHBondContact O-N 3.31Å; G29-T32 PolarHBondContact O-N 2.95Å; G29-A33 VanDerWaalsContact O-CB 3.3Å; G29-A33 WeakPolarHBondContact O-CB 3.11Å; G29-A33 PolarHBondContact O-N 3.06Å; G29-T211 WeakPolarHBondContact CA-OG1 3.3Å; G29-T211 PolarHBondContact N-OG1 2.93Å
30S98.9Very high98.7Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-65.2-42.1176.7-560000112A25 G26 Q28 Y34 Q169A25-S30 PolarHBondContact O-OG 3.09Å; G26-S30 VanDerWaalsContact O-CB 3.29Å; G26-S30 WeakPolarHBondContact O-CB 3.15Å; G26-S30 PolarHBondContact O-N 2.86Å; G26-S30 PolarHBondContact O-OG 2.82Å; Q28-S30 VanDerWaalsContact C-N 3.32Å; Q28-S30 PolarHBondContact O-N 3.07Å; S30-Y34 VanDerWaalsContact O-CB 3.28Å; S30-Y34 WeakPolarHBondContact O-CB 3.42Å; S30-Y34 PolarHBondContact O-N 3.11Å; S30-Q169 PolarHBondContact OG-NE2 2.67Å
31F98.9Very high98.7Very high3 Ų321.8 Ų21.81%0.01311%0.112CC..Hα-helixtrans-68.6-37.3173.7-87.6-74.8000112.8V27 Q28 Y34 Q35 W85 L88 V168 G363 P364V27-F31 HydrophobicContact CG2-CD2 3.96Å; V27-F31 HydrophobicContact CG2-CE2 4.03Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.36Å; V27-F31 PolarHBondContact O-N 2.87Å; V27-F31 VanDerWaalsContact O-N 3.14Å; Q28-F31 PolarHBondContact O-N 2.89Å; F31-Y34 HydrophobicContact CD1-CD1 4.18Å; F31-Y34 PolarHBondContact O-N 3.41Å; F31-Q35 VanDerWaalsContact O-CG 3.25Å; F31-Q35 WeakPolarHBondContact O-CG 3.38Å; F31-Q35 PolarHBondContact O-N 3.42Å; F31-W85 AromaticContact CE2-CH2 3.48Å; F31-W85 HydrophobicContact CE2-CH2 3.48Å; F31-W85 VanDerWaalsContact CE2-CH2 3.48Å; F31-W85 HydrophobicContact CE2-CZ2 4.13Å; F31-W85 AromaticContact CE2-CZ3 3.79Å; F31-W85 HydrophobicContact CE2-CZ3 3.79Å; F31-W85 HydrophobicContact CZ-CE3 4.04Å; F31-W85 AromaticContact CZ-CH2 3.67Å; F31-W85 HydrophobicContact CZ-CH2 3.67Å; F31-W85 HydrophobicContact CZ-CZ2 4.35Å; F31-W85 AromaticContact CZ-CZ3 3.48Å; F31-W85 HydrophobicContact CZ-CZ3 3.48Å; F31-W85 VanDerWaalsContact CZ-CZ3 3.48Å; F31-L88 HydrophobicContact CE1-CD2 3.8Å; F31-L88 HydrophobicContact CZ-CD2 3.46Å; F31-L88 VanDerWaalsContact CZ-CD2 3.46Å; F31-V168 HydrophobicContact CB-CG2 4.48Å; F31-V168 HydrophobicContact CD1-CB 4.48Å; F31-V168 HydrophobicContact CD1-CG2 3.64Å; F31-V168 HydrophobicContact CD2-CG1 4.35Å; F31-V168 HydrophobicContact CD2-CG2 4.22Å; F31-V168 HydrophobicContact CE1-CB 4.25Å; F31-V168 HydrophobicContact CE1-CG2 3.82Å; F31-V168 HydrophobicContact CE2-CB 4.3Å; F31-V168 HydrophobicContact CE2-CG1 4.24Å; F31-V168 HydrophobicContact CE2-CG2 4.36Å; F31-V168 HydrophobicContact CG-CG2 3.86Å; F31-V168 HydrophobicContact CZ-CB 4.15Å; F31-V168 HydrophobicContact CZ-CG2 4.18Å; F31-G363 VanDerWaalsContact CB-O 3.25Å; F31-G363 WeakPolarHBondContact CB-O 3.28Å; F31-G363 VanDerWaalsContact CD2-C 3.48Å; F31-P364 HydrophobicContact CD1-CB 3.98Å; F31-P364 HydrophobicContact CD1-CG 4.19Å; F31-P364 HydrophobicContact CE1-CB 3.78Å; F31-P364 HydrophobicContact CE1-CG 3.63Å; F31-P364 HydrophobicContact CE2-CG 4.06Å; F31-P364 HydrophobicContact CZ-CB 4.23Å; F31-P364 HydrophobicContact CZ-CG 3.55Å
32T98.9Very high98.7Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-60.6-48.5173.3-55.60000111.1V22 Q28 G29 Y34 Q35 L36 V209 G367 L370V22-T32 HydrophobicContact CG2-CG2 4.21Å; Q28-T32 PolarHBondContact O-N 2.76Å; Q28-T32 PolarHBondContact O-OG1 2.79Å; G29-T32 PolarHBondContact O-N 2.95Å; T32-Y34 PolarHBondContact O-N 3.48Å; T32-Q35 PolarHBondContact O-N 2.85Å; T32-L36 HydrophobicContact CG2-CD1 3.97Å; T32-L36 WeakPolarHBondContact O-CB 3.35Å; T32-L36 WeakPolarHBondContact O-CG 3.14Å; T32-L36 PolarHBondContact O-N 2.91Å; T32-V209 HydrophobicContact CG2-CB 4.35Å; T32-V209 HydrophobicContact CG2-CG1 4.14Å; T32-V209 HydrophobicContact CG2-CG2 4.13Å; T32-G367 WeakPolarHBondContact OG1-CA 3.48Å; T32-L370 HydrophobicContact CG2-CB 3.83Å; T32-L370 WeakPolarHBondContact OG1-CD1 3.37Å
33A98.9Very high98.7Very high0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-62.7-43.4179.800000111.7V22 G29 Q35 L36 A37 T43 L45 F172V22-A33 HydrophobicContact CG2-CB 4.24Å; G29-A33 VanDerWaalsContact O-CB 3.3Å; G29-A33 WeakPolarHBondContact O-CB 3.11Å; G29-A33 PolarHBondContact O-N 3.06Å; A33-Q35 PolarHBondContact O-N 2.82Å; A33-L36 PolarHBondContact O-N 3.44Å; A33-A37 PolarHBondContact O-N 3.27Å; A33-T43 HydrophobicContact CB-CG2 4.08Å; A33-L45 HydrophobicContact CB-CB 4.17Å; A33-L45 HydrophobicContact CB-CD1 4.24Å; A33-L45 HydrophobicContact CB-CD2 4.14Å; A33-L45 HydrophobicContact CB-CG 4.42Å; A33-F172 HydrophobicContact CB-CD1 4.29Å; A33-F172 HydrophobicContact CB-CD2 3.89Å; A33-F172 HydrophobicContact CB-CE1 4.12Å; A33-F172 HydrophobicContact CB-CE2 3.69Å; A33-F172 HydrophobicContact CB-CG 4.18Å; A33-F172 HydrophobicContact CB-CZ 3.81Å; A33-F172 WeakPolarHBondContact O-CD2 3.45Å; A33-F172 VanDerWaalsContact O-CE2 3.29Å; A33-F172 WeakPolarHBondContact O-CE2 3.32Å
34Y98.9Very high98.7Very high5 Ų526.3 Ų26.32%0.0213%0.132CC..Hα-helixtrans-56.9-46.8172.8163.3-105.7000112.1S30 F31 T32 A37 K38 E91 V168 Q171 L175S30-Y34 VanDerWaalsContact O-CB 3.28Å; S30-Y34 WeakPolarHBondContact O-CB 3.42Å; S30-Y34 PolarHBondContact O-N 3.11Å; F31-Y34 HydrophobicContact CD1-CD1 4.18Å; F31-Y34 PolarHBondContact O-N 3.41Å; T32-Y34 PolarHBondContact O-N 3.48Å; Y34-A37 PolarHBondContact O-N 2.88Å; Y34-K38 HydrophobicContact CE1-CD 3.93Å; Y34-K38 HydrophobicContact CE2-CD 3.96Å; Y34-K38 HydrophobicContact CE2-CG 4.23Å; Y34-K38 WeakPolarHBondContact O-CG 3.48Å; Y34-K38 PolarHBondContact O-N 3Å; Y34-K38 PolarHBondContact OH-NZ 2.94Å; Y34-E91 VanDerWaalsContact OH-CD 3.26Å; Y34-E91 PolarHBondContact OH-OE1 3.26Å; Y34-E91 PolarHBondContact OH-OE2 3.35Å; Y34-V168 HydrophobicContact CD1-CG2 4.12Å; Y34-V168 HydrophobicContact CG-CG2 3.85Å; Y34-Q171 HydrophobicContact CD2-CB 3.83Å; Y34-Q171 HydrophobicContact CE2-CB 3.75Å; Y34-L175 HydrophobicContact CD2-CD1 4.05Å; Y34-L175 HydrophobicContact CE2-CD1 4.12Å
35Q98.8Very high98.7Very high17 Ų1725.9 Ų25.98%0.07913%0.128CC..Hα-helixtrans-65.7-41.8177.8-68.9-69.9-400112F31 T32 A33 A37 K38 H39 K368 C371F31-Q35 VanDerWaalsContact O-CG 3.25Å; F31-Q35 WeakPolarHBondContact O-CG 3.38Å; F31-Q35 PolarHBondContact O-N 3.42Å; T32-Q35 PolarHBondContact O-N 2.85Å; A33-Q35 PolarHBondContact O-N 2.82Å; Q35-A37 VanDerWaalsContact C-N 3.33Å; Q35-A37 PolarHBondContact O-N 3.05Å; Q35-K38 WeakPolarHBondContact O-CB 3.44Å; Q35-K38 PolarHBondContact O-N 3.04Å; Q35-K38 VanDerWaalsContact O-N 3.17Å; Q35-H39 PolarHBondContact O-N 3.25Å; Q35-H39 VanDerWaalsContact O-N 3.13Å; Q35-H39 PolarHBondContact O-ND1 3.18Å; Q35-K368 HydrophobicContact CG-CB 4.29Å; Q35-C371 HydrophobicContact CB-CB 3.68Å
36L98.9Very high98.7Very high1 Ų126 Ų261%0.00513%0.129CC..Hα-helixtrans-58.9-43.3174.8-77.9164.6000112.2C20 V22 T32 A33 K38 H39 N40 K41 T43 C371 S374 L375C20-L36 HydrophobicContact CB-CD1 3.88Å; C20-L36 HydrophobicContact CB-CD2 4.32Å; V22-L36 HydrophobicContact CG2-CD1 3.7Å; T32-L36 HydrophobicContact CG2-CD1 3.97Å; T32-L36 WeakPolarHBondContact O-CB 3.35Å; T32-L36 WeakPolarHBondContact O-CG 3.14Å; T32-L36 PolarHBondContact O-N 2.91Å; A33-L36 PolarHBondContact O-N 3.44Å; L36-K38 PolarHBondContact O-N 3.27Å; L36-H39 CarbonylContact O-C 3.57Å; L36-H39 WeakPolarHBondContact O-CA 3.38Å; L36-H39 PolarHBondContact O-N 3.31Å; L36-H39 VanDerWaalsContact O-N 3.08Å; L36-N40 PolarHBondContact O-N 2.95Å; L36-K41 HydrophobicContact CB-CB 4.34Å; L36-K41 HydrophobicContact CD2-CB 4.33Å; L36-K41 HydrophobicContact CD2-CG 4.14Å; L36-K41 WeakPolarHBondContact O-CB 3.37Å; L36-K41 WeakPolarHBondContact O-CG 3.45Å; L36-K41 PolarHBondContact O-N 2.89Å; L36-K41 VanDerWaalsContact O-N 3.08Å; L36-T43 HydrophobicContact CB-CG2 4.28Å; L36-T43 WeakPolarHBondContact CB-OG1 3.32Å; L36-T43 HydrophobicContact CD1-CG2 4.02Å; L36-C371 HydrophobicContact CG-CB 4.33Å; L36-S374 WeakPolarHBondContact CD2-OG 3.43Å; L36-L375 HydrophobicContact CD2-CD2 4.15Å; L36-L375 HydrophobicContact CD2-CG 4.41Å
37A98.7Very high98.7Very high6 Ų625.8 Ų25.85%0.0512%0.123CC..Hα-helixtrans-64.9-37.5176.400000112.1A33 Y34 Q35 H39 N40 F172 L175A33-A37 PolarHBondContact O-N 3.27Å; Y34-A37 PolarHBondContact O-N 2.88Å; Q35-A37 VanDerWaalsContact C-N 3.33Å; Q35-A37 PolarHBondContact O-N 3.05Å; A37-H39 PolarHBondContact O-N 2.62Å; A37-N40 WeakPolarHBondContact O-CA 3.49Å; A37-N40 PolarHBondContact O-N 3.16Å; A37-F172 HydrophobicContact CB-CD2 3.69Å; A37-F172 HydrophobicContact CB-CE2 3.92Å; A37-L175 HydrophobicContact CB-CB 3.74Å; A37-L175 HydrophobicContact CB-CD1 4.13Å
38K98.3Very high98.7Very high69 Ų6927.2 Ų27.230%0.313%0.129SC..Hα-helixtrans-61.8-26.2171.7-69.4-172.9104.2159.60113.3Y34 Q35 L36 N40 E91 L175Y34-K38 HydrophobicContact CE1-CD 3.93Å; Y34-K38 HydrophobicContact CE2-CD 3.96Å; Y34-K38 HydrophobicContact CE2-CG 4.23Å; Y34-K38 WeakPolarHBondContact O-CG 3.48Å; Y34-K38 PolarHBondContact O-N 3Å; Y34-K38 PolarHBondContact OH-NZ 2.94Å; Q35-K38 WeakPolarHBondContact O-CB 3.44Å; Q35-K38 PolarHBondContact O-N 3.04Å; Q35-K38 VanDerWaalsContact O-N 3.17Å; L36-K38 PolarHBondContact O-N 3.27Å; K38-N40 PolarHBondContact O-N 3.27Å; K38-E91 IonicContact NZ-OE1 2.72Å; K38-E91 PolarHBondContact NZ-OE1 2.95Å; K38-E91 IonicContact NZ-OE2 3.33Å; K38-L175 HydrophobicContact CG-CD1 3.6Å
39H98.3Very high98.7Very high77 Ų7728.5 Ų28.536%0.35614%0.135SC..THydrogen-bonded Turntrans-89.919.1173.6-66.578.8000112.6Q35 L36 A37 K41 L375Q35-H39 PolarHBondContact O-N 3.25Å; Q35-H39 VanDerWaalsContact O-N 3.13Å; Q35-H39 PolarHBondContact O-ND1 3.18Å; L36-H39 CarbonylContact O-C 3.57Å; L36-H39 WeakPolarHBondContact O-CA 3.38Å; L36-H39 PolarHBondContact O-N 3.31Å; L36-H39 VanDerWaalsContact O-N 3.08Å; A37-H39 PolarHBondContact O-N 2.62Å; H39-K41 HydrophobicContact CB-CG 4.3Å; H39-K41 WeakPolarHBondContact O-CE 3.38Å; H39-K41 PolarHBondContact O-N 2.85Å; H39-L375 HydrophobicContact CB-CD1 4.05Å
40N98.3Very high98.7Very high151 Ų15132.5 Ų32.581%0.80716%0.159SC*.THydrogen-bonded Turntrans55.432.5178.9-57.1-63.4000113.6L36 A37 K38L36-N40 PolarHBondContact O-N 2.95Å; A37-N40 WeakPolarHBondContact O-CA 3.49Å; A37-N40 PolarHBondContact O-N 3.16Å; K38-N40 PolarHBondContact O-N 3.27Å
41K98.5Very high98.6Very high78 Ų7834.1 Ų34.134%0.33917%0.168SC..  trans-89.1135175.2-54.6-58.7169.7-177.80110.1D19 L36 H39 T43 L375D19-K41 HydrophobicContact CB-CB 4.07Å; D19-K41 HydrophobicContact CB-CD 4.41Å; L36-K41 HydrophobicContact CB-CB 4.34Å; L36-K41 HydrophobicContact CD2-CB 4.33Å; L36-K41 HydrophobicContact CD2-CG 4.14Å; L36-K41 WeakPolarHBondContact O-CB 3.37Å; L36-K41 WeakPolarHBondContact O-CG 3.45Å; L36-K41 PolarHBondContact O-N 2.89Å; L36-K41 VanDerWaalsContact O-N 3.08Å; H39-K41 HydrophobicContact CB-CG 4.3Å; H39-K41 WeakPolarHBondContact O-CE 3.38Å; H39-K41 PolarHBondContact O-N 2.85Å; K41-T43 PolarHBondContact O-N 2.8Å; K41-T43 PolarHBondContact O-OG1 2.8Å; K41-L375 HydrophobicContact CD-CD2 4.04Å; K41-L375 HydrophobicContact CG-CD2 4.02Å
42K98.5Very high98.4Very high100 Ų10040.1 Ų40.144%0.43521%0.206SC..  trans-71.5101.9172.1-171.1-174.7175.1-168.80108.5D17 Y18 D19 C20D17-K42 WeakPolarHBondContact O-CD 3.47Å; D17-K42 VanDerWaalsContact O-CE 3.28Å; D17-K42 WeakPolarHBondContact O-CE 3.46Å; D17-K42 PolarHBondContact O-NZ 3.24Å; Y18-K42 HydrophobicContact CD1-CD 4.31Å; Y18-K42 HydrophobicContact CD1-CG 3.9Å; Y18-K42 HydrophobicContact CE1-CG 4.38Å; D19-K42 PolarHBondContact N-O 3.34Å; D19-K42 PolarHBondContact OD2-N 3.04Å; C20-K42 PolarHBondContact N-O 2.88Å
43T98.8Very high98.3Very high3 Ų342.2 Ų42.22%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-117.6135.3-170.2-63.80000112.9C20 V22 A33 L36 K41 F172 V178C20-T43 WeakPolarHBondContact O-CA 3.41Å; V22-T43 HydrophobicContact CG2-CG2 4.04Å; A33-T43 HydrophobicContact CB-CG2 4.08Å; L36-T43 HydrophobicContact CB-CG2 4.28Å; L36-T43 WeakPolarHBondContact CB-OG1 3.32Å; L36-T43 HydrophobicContact CD1-CG2 4.02Å; K41-T43 PolarHBondContact O-N 2.8Å; K41-T43 PolarHBondContact O-OG1 2.8Å; T43-F172 HydrophobicContact CG2-CE2 3.96Å; T43-F172 HydrophobicContact CG2-CZ 3.96Å; T43-V178 PolarHBondContact O-N 3.03Å
44L98.8Very high98.2Very high0 Ų046.4 Ų46.40%024%0.242CC..EExtended strand (participates in β ladder)trans-107.7129.5169.7177.962.6000109.7Y18 C20 V21 V22 L46 V178 Q180 Y203Y18-L44 HydrophobicContact CD1-CB 3.69Å; Y18-L44 HydrophobicContact CD2-CB 4.1Å; Y18-L44 HydrophobicContact CD2-CD2 4.2Å; Y18-L44 HydrophobicContact CE1-CB 3.65Å; Y18-L44 HydrophobicContact CE2-CB 4.04Å; Y18-L44 HydrophobicContact CE2-CD2 3.75Å; Y18-L44 HydrophobicContact CE2-CG 4.39Å; Y18-L44 HydrophobicContact CG-CB 3.93Å; C20-L44 PolarHBondContact O-N 2.85Å; V21-L44 CarbonylContact C-O 3.58Å; V21-L44 WeakPolarHBondContact CA-O 3.33Å; V21-L44 HydrophobicContact CG2-CB 4.06Å; V21-L44 HydrophobicContact CG2-CD2 4.13Å; V22-L44 PolarHBondContact N-O 2.81Å; L44-L46 HydrophobicContact CD1-CD2 4.17Å; L44-L46 HydrophobicContact CD2-CD1 4.42Å; L44-L46 HydrophobicContact CD2-CD2 3.7Å; L44-L46 HydrophobicContact CD2-CG 4.06Å; L44-L46 HydrophobicContact CG-CD2 3.85Å; L44-L46 HydrophobicContact CG-CG 4.06Å; L44-V178 CarbonylContact C-O 3.59Å; L44-V178 WeakPolarHBondContact CA-O 2.87Å; L44-V178 HydrophobicContact CD1-CB 4.03Å; L44-V178 HydrophobicContact CD1-CG1 3.76Å; L44-Q180 HydrophobicContact CD1-CB 4.3Å; L44-Q180 HydrophobicContact CD1-CG 3.64Å; L44-Y203 HydrophobicContact CD2-CD1 3.62Å; L44-Y203 HydrophobicContact CD2-CD2 3.85Å; L44-Y203 HydrophobicContact CD2-CE1 3.84Å; L44-Y203 HydrophobicContact CD2-CE2 4.05Å; L44-Y203 HydrophobicContact CD2-CG 3.61Å
45L98.9Very high98Very high0 Ų050.5 Ų50.50%026%0.257CS..EExtended strand (participates in β ladder)trans-109.2114.3172.4-179.561.6000109.3V22 A25 A33 F172 V178 I179 Q180V22-L45 HydrophobicContact CB-CD1 3.73Å; V22-L45 HydrophobicContact CG1-CD1 3.64Å; V22-L45 WeakPolarHBondContact O-CA 3.36Å; A25-L45 HydrophobicContact CB-CD1 4.16Å; A25-L45 HydrophobicContact CB-CD2 3.73Å; A25-L45 HydrophobicContact CB-CG 3.78Å; A33-L45 HydrophobicContact CB-CB 4.17Å; A33-L45 HydrophobicContact CB-CD1 4.24Å; A33-L45 HydrophobicContact CB-CD2 4.14Å; A33-L45 HydrophobicContact CB-CG 4.42Å; L45-F172 HydrophobicContact CB-CE1 3.77Å; L45-F172 HydrophobicContact CB-CZ 4.23Å; L45-F172 HydrophobicContact CD2-CD1 4.45Å; L45-F172 HydrophobicContact CD2-CE1 4.41Å; L45-V178 PolarHBondContact N-O 3.31Å; L45-I179 HydrophobicContact CB-CG1 4.32Å; L45-I179 HydrophobicContact CD2-CD1 4.39Å; L45-I179 HydrophobicContact CD2-CG1 4.19Å; L45-I179 WeakPolarHBondContact O-CA 3.37Å; L45-Q180 PolarHBondContact O-N 3.49Å
46L98.9Very high97.8Very high2 Ų250.1 Ų50.11%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-98.1135.3-178.6-65.3177000111.3V21 V22 G24 L44 Q180 E183 V185 V196 T198 Y203V21-L46 HydrophobicContact CG1-CD1 3.67Å; V21-L46 HydrophobicContact CG1-CG 4.16Å; V22-L46 PolarHBondContact O-N 2.88Å; G24-L46 WeakPolarHBondContact CA-O 3.41Å; G24-L46 PolarHBondContact N-O 3.03Å; L44-L46 HydrophobicContact CD1-CD2 4.17Å; L44-L46 HydrophobicContact CD2-CD1 4.42Å; L44-L46 HydrophobicContact CD2-CD2 3.7Å; L44-L46 HydrophobicContact CD2-CG 4.06Å; L44-L46 HydrophobicContact CG-CD2 3.85Å; L44-L46 HydrophobicContact CG-CG 4.06Å; L46-Q180 CarbonylContact C-O 3.39Å; L46-Q180 WeakPolarHBondContact CA-O 3.5Å; L46-Q180 HydrophobicContact CD2-CB 3.93Å; L46-E183 HydrophobicContact CD2-CG 4.15Å; L46-V185 HydrophobicContact CB-CG2 4.43Å; L46-V185 HydrophobicContact CD1-CG2 3.65Å; L46-V196 HydrophobicContact CD1-CG1 3.97Å; L46-T198 HydrophobicContact CD1-CG2 3.96Å; L46-Y203 HydrophobicContact CD1-CD2 4.34Å; L46-Y203 HydrophobicContact CD2-CD2 4.42Å; L46-Y203 HydrophobicContact CD2-CE2 3.99Å
47E98.8Very high97.7Very high13 Ų1351.9 Ų51.96%0.06127%0.271CS..  trans-132.6134.2172.3-179.448-116.500111.1A25 F49 L51 H53 Q180 D181 N182 E183A25-E47 HydrophobicContact CB-CB 3.64Å; A25-E47 HydrophobicContact CB-CG 4.12Å; A25-E47 PolarHBondContact N-OE2 3.49Å; E47-F49 VanDerWaalsContact C-N 3.31Å; E47-F49 WeakPolarHBondContact CG-O 3.26Å; E47-F49 PolarHBondContact O-N 2.9Å; E47-F49 WeakPolarHBondContact OE1-CD2 3.26Å; E47-F49 PolarHBondContact OE1-N 3.5Å; E47-L51 HydrophobicContact CB-CD1 4.48Å; E47-L51 HydrophobicContact CG-CD2 4.06Å; E47-L51 HydrophobicContact CG-CG 4.15Å; E47-H53 IonicContact OE1-CE1 3.56Å; E47-H53 IonicContact OE1-NE2 3.96Å; E47-H53 IonicContact OE2-NE2 2.62Å; E47-Q180 PolarHBondContact N-O 3.43Å; E47-D181 HydrophobicContact CB-CB 4.32Å; E47-D181 CarbonylContact O-C 3.47Å; E47-D181 WeakPolarHBondContact O-CA 3.42Å; E47-N182 PolarHBondContact O-N 2.92Å; E47-E183 CarbonylContact O-C 3.34Å; E47-E183 PolarHBondContact O-N 3.39Å
48Q98.4Very high97.6Very high37 Ų3752.4 Ų52.417%0.17327%0.274CS..SBendtrans-77-18.4-175.668.7-178.6-43.400113.4K184Q48-K184 HydrophobicContact CB-CB 3.83Å; Q48-K184 HydrophobicContact CB-CG 4Å
49F98.3Very high97.4Very high36 Ų3650.2 Ų50.216%0.15827%0.265CS..SBendtrans-110.9162.2178.2-53.9-64.5000111.1E47 H53 R55 D181 N182 W215E47-F49 VanDerWaalsContact C-N 3.31Å; E47-F49 WeakPolarHBondContact CG-O 3.26Å; E47-F49 PolarHBondContact O-N 2.9Å; E47-F49 WeakPolarHBondContact OE1-CD2 3.26Å; E47-F49 PolarHBondContact OE1-N 3.5Å; F49-H53 HydrophobicContact CB-CB 4.01Å; F49-H53 AromaticContact CD2-CE1 3.53Å; F49-H53 AromaticContact CD2-ND1 3.6Å; F49-H53 AromaticContact CD2-NE2 3.95Å; F49-R55 HydrophobicContact CD1-CB 4.15Å; F49-R55 HydrophobicContact CD1-CG 3.95Å; F49-R55 HydrophobicContact CD2-CB 3.63Å; F49-R55 HydrophobicContact CD2-CG 4.26Å; F49-R55 HydrophobicContact CE1-CB 3.99Å; F49-R55 HydrophobicContact CE1-CG 3.97Å; F49-R55 HydrophobicContact CE2-CB 3.42Å; F49-R55 VanDerWaalsContact CE2-CB 3.42Å; F49-R55 HydrophobicContact CE2-CG 4.27Å; F49-R55 HydrophobicContact CG-CB 3.99Å; F49-R55 HydrophobicContact CG-CG 4.1Å; F49-R55 HydrophobicContact CZ-CB 3.62Å; F49-R55 HydrophobicContact CZ-CG 4.13Å; F49-D181 WeakPolarHBondContact O-CB 3.29Å; F49-N182 PolarHBondContact O-N 3.02Å; F49-W215 AromaticContact CE2-CH2 3.75Å; F49-W215 HydrophobicContact CE2-CH2 3.75Å; F49-W215 HydrophobicContact CE2-CZ2 4.05Å; F49-W215 HydrophobicContact CE2-CZ3 4.23Å; F49-W215 AromaticContact CZ-CH2 3.88Å; F49-W215 HydrophobicContact CZ-CH2 3.88Å; F49-W215 AromaticContact CZ-CZ2 3.73Å; F49-W215 HydrophobicContact CZ-CZ2 3.73Å
50V98.1Very high97.1Very high84 Ų8447.4 Ų47.451%0.50926%0.257SS..PPolyproline II helixtrans-67.6135.7169177.80000109.5P52 H53 D181 N182V50-P52 CarbonylContact O-C 3.4Å; V50-H53 WeakPolarHBondContact O-CB 3.44Å; V50-D181 WeakPolarHBondContact CA-OD2 3.28Å; V50-N182 HydrophobicContact CG2-CB 3.8Å
51L96.9Very high97Very high35 Ų3543 Ų4318%0.18323%0.232CC..SBendtrans-89.4141.6177-71.8170000111.6A25 E47 I179 D181A25-L51 HydrophobicContact CB-CD1 4.09Å; A25-L51 HydrophobicContact CB-CD2 4.49Å; E47-L51 HydrophobicContact CB-CD1 4.48Å; E47-L51 HydrophobicContact CG-CD2 4.06Å; E47-L51 HydrophobicContact CG-CG 4.15Å; L51-I179 HydrophobicContact CD1-CG2 3.75Å; L51-D181 HydrophobicContact CB-CB 4.35Å; L51-D181 HydrophobicContact CD1-CB 4.11Å; L51-D181 HydrophobicContact CG-CB 3.99Å; L51-D181 PolarHBondContact N-OD2 3.29Å
52P96.1Very high96.9Very high128 Ų12839.5 Ų39.583%0.83122%0.216SC*.SBendcis-75.6153.5-12.633.3-34.5000111.7V50V50-P52 CarbonylContact O-C 3.4Å
53H96.6Very high96.9Very high44 Ų4437 Ų3720%0.20420%0.204CC..  trans-135.4162.9175.162.591.4000112.8E47 F49 V50 R55 H59E47-H53 IonicContact OE1-CE1 3.56Å; E47-H53 IonicContact OE1-NE2 3.96Å; E47-H53 IonicContact OE2-NE2 2.62Å; F49-H53 HydrophobicContact CB-CB 4.01Å; F49-H53 AromaticContact CD2-CE1 3.53Å; F49-H53 AromaticContact CD2-ND1 3.6Å; F49-H53 AromaticContact CD2-NE2 3.95Å; V50-H53 WeakPolarHBondContact O-CB 3.44Å; H53-R55 HydrophobicContact CB-CG 4.49Å; H53-R55 PolarHBondContact ND1-N 3.11Å; H53-H59 VanDerWaalsContact O-CB 3.3Å; H53-H59 WeakPolarHBondContact O-CB 3.38Å
54T95.8Very high96.9Very high89 Ų8937.6 Ų37.655%0.54621%0.207SC..SBendtrans-105.111.1175.357.90000113.3H59 R295T54-H59 HydrophobicContact CG2-CB 4.37Å; T54-H59 PolarHBondContact O-CD2 2.8Å; T54-H59 PolarHBondContact O-NE2 3.26Å; T54-R295 PolarHBondContact O-NH1 3.1Å
55R95.8Very high96.9Very high90 Ų9037.6 Ų37.634%0.3421%0.207SC..SBendtrans-77.7-24.1-176.7-60.4-72.6-65.7-149.30.6114.1F49 H53 W215 R295 M329F49-R55 HydrophobicContact CD1-CB 4.15Å; F49-R55 HydrophobicContact CD1-CG 3.95Å; F49-R55 HydrophobicContact CD2-CB 3.63Å; F49-R55 HydrophobicContact CD2-CG 4.26Å; F49-R55 HydrophobicContact CE1-CB 3.99Å; F49-R55 HydrophobicContact CE1-CG 3.97Å; F49-R55 HydrophobicContact CE2-CB 3.42Å; F49-R55 VanDerWaalsContact CE2-CB 3.42Å; F49-R55 HydrophobicContact CE2-CG 4.27Å; F49-R55 HydrophobicContact CG-CB 3.99Å; F49-R55 HydrophobicContact CG-CG 4.1Å; F49-R55 HydrophobicContact CZ-CB 3.62Å; F49-R55 HydrophobicContact CZ-CG 4.13Å; H53-R55 HydrophobicContact CB-CG 4.49Å; H53-R55 PolarHBondContact ND1-N 3.11Å; R55-W215 WeakPolarHBondContact O-CH2 3.39Å; R55-R295 PolarHBondContact O-NH1 3.5Å; R55-M329 WeakPolarHBondContact O-CE 3.26Å
56G95.2Very high96.9Very high10 Ų1038.9 Ų38.910%0.10321%0.212CC..SBendtrans-97.3-150.3-175.400000114.6H59G56-H59 PolarHBondContact O-CD2 3.18Å; G56-H59 PolarHBondContact O-NE2 2.97Å
57S96.8Very high96.9Very high37 Ų3741 Ų4126%0.25922%0.22SC..SBendtrans-112-4.2179.4-55.10000114.2R63 M329S57-R63 PolarHBondContact O-NH2 2.93Å; S57-M329 VanDerWaalsContact CB-O 3.25Å; S57-M329 WeakPolarHBondContact CB-O 3.34Å; S57-M329 PolarHBondContact OG-O 3.48Å
58S95.8Very high96.8Very high18 Ų1840.5 Ų40.513%0.12622%0.218CC..SBendtrans-98.5-5.4-176.3-60.70000114.3V27V27-S58 PolarHBondContact N-OG 3.34Å
59H93.4Very high96.8Very high22 Ų2239.1 Ų39.110%0.10221%0.211CC..  trans-77.2-178.8-178.775.887.2000113.6H53 T54 G56 R63 S327H53-H59 VanDerWaalsContact O-CB 3.3Å; H53-H59 WeakPolarHBondContact O-CB 3.38Å; T54-H59 HydrophobicContact CG2-CB 4.37Å; T54-H59 PolarHBondContact O-CD2 2.8Å; T54-H59 PolarHBondContact O-NE2 3.26Å; G56-H59 PolarHBondContact O-CD2 3.18Å; G56-H59 PolarHBondContact O-NE2 2.97Å; H59-R63 PolarHBondContact O-NH1 2.97Å; H59-R63 PolarHBondContact O-NH2 2.9Å; H59-S327 PolarHBondContact CE1-O 3.32Å; H59-S327 PolarHBondContact NE2-O 3.28Å
60G92.5Very high96.7Very high18 Ų1839.8 Ų39.819%0.18622%0.215CC..SBendtrans84.4161-178.600000111.1
61Q95.8Very high96.6Very high60 Ų6038.8 Ų38.828%0.2821%0.205SC..SBendtrans-78.9-34.6-163.1-52.8-179.136.400112.8F160 A161 E275Q61-F160 CarbonylContact O-C 3.59Å; Q61-F160 WeakPolarHBondContact O-CA 3.34Å; Q61-A161 PolarHBondContact O-N 3.09Å; Q61-E275 HydrophobicContact CB-CB 4.33Å; Q61-E275 HydrophobicContact CB-CG 3.78Å; Q61-E275 HydrophobicContact CG-CB 4.48Å; Q61-E275 HydrophobicContact CG-CG 4.43Å; Q61-E275 PolarHBondContact NE2-O 2.85Å; Q61-E275 PolarHBondContact OE1-O 2.89Å
62T97.5Very high96.5Very high3 Ų339.1 Ų39.12%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-136.9161.1-176.974.10000116.2V158 L159 F160 L271 E275T62-V158 HydrophobicContact CG2-CG1 3.53Å; T62-L159 CarbonylContact C-O 3.44Å; T62-L159 WeakPolarHBondContact CA-O 3.37Å; T62-L159 WeakPolarHBondContact CB-O 3.22Å; T62-F160 HydrophobicContact CG2-CD1 4.1Å; T62-L271 WeakPolarHBondContact OG1-CD2 3.33Å; T62-E275 VanDerWaalsContact CB-OE1 3.27Å; T62-E275 WeakPolarHBondContact CB-OE1 3.3Å; T62-E275 HydrophobicContact CG2-CG 3.81Å; T62-E275 PolarHBondContact N-OE1 3.35Å; T62-E275 PolarHBondContact OG1-OE1 2.97Å
63R98.4Very high96.4Very high47 Ų4734.3 Ų34.318%0.17717%0.174CC..EExtended strand (participates in β ladder)trans-140.2152.8172.1-68.1-63.7-174-73.4-2110.7S57 H59 L159 A161 F360S57-R63 PolarHBondContact O-NH2 2.93Å; H59-R63 PolarHBondContact O-NH1 2.97Å; H59-R63 PolarHBondContact O-NH2 2.9Å; R63-L159 PolarHBondContact N-O 2.72Å; R63-L159 PolarHBondContact O-N 2.9Å; R63-A161 HydrophobicContact CG-CB 3.89Å; R63-F360 HydrophobicContact CB-CB 4.46Å; R63-F360 HydrophobicContact CB-CD1 4.02Å; R63-F360 HydrophobicContact CB-CG 4.29Å; R63-F360 HydrophobicContact CG-CB 3.98Å; R63-F360 HydrophobicContact CG-CD1 3.83Å; R63-F360 HydrophobicContact CG-CD2 4.1Å; R63-F360 HydrophobicContact CG-CE1 4.4Å; R63-F360 HydrophobicContact CG-CG 3.7Å
64I98.8Very high96.4Very high17 Ų1732.3 Ų32.39%0.08716%0.164CC..EExtended strand (participates in β ladder)trans-72.7133.9169.3-67.1176.8000109.3R66 L102 G157 C255 V257 Y269 L271 K361I64-R66 HydrophobicContact CG2-CB 4.23Å; I64-R66 HydrophobicContact CG2-CG 4.27Å; I64-L102 HydrophobicContact CD1-CD1 4.2Å; I64-L102 HydrophobicContact CG2-CD1 3.76Å; I64-G157 WeakPolarHBondContact CA-O 3.39Å; I64-C255 HydrophobicContact CD1-CB 4.31Å; I64-C255 HydrophobicContact CG1-CB 4.11Å; I64-V257 HydrophobicContact CD1-CG2 4.2Å; I64-Y269 HydrophobicContact CD1-CD2 3.94Å; I64-Y269 HydrophobicContact CD1-CG 4.3Å; I64-L271 HydrophobicContact CD1-CD1 4.33Å; I64-L271 HydrophobicContact CD1-CG 4.33Å; I64-L271 HydrophobicContact CG1-CD1 4.02Å; I64-L271 HydrophobicContact CG1-CD2 3.79Å; I64-L271 HydrophobicContact CG1-CG 3.77Å; I64-K361 WeakPolarHBondContact O-CE 3.44Å
65I98.8Very high96.5Very high0 Ų028.1 Ų28.10%014%0.138CC..EExtended strand (participates in β ladder)trans-110.6138.4160.6-172.6175.5000108.8M78 Y82 W85 Y97 G156 G157 L159 K361I65-M78 HydrophobicContact CD1-CE 3.69Å; I65-M78 HydrophobicContact CG1-CE 3.52Å; I65-Y82 HydrophobicContact CD1-CD1 3.82Å; I65-Y82 HydrophobicContact CD1-CD2 4.47Å; I65-Y82 HydrophobicContact CD1-CE1 3.47Å; I65-Y82 VanDerWaalsContact CD1-CE1 3.47Å; I65-Y82 HydrophobicContact CD1-CE2 4.1Å; I65-Y82 HydrophobicContact CD1-CG 4.31Å; I65-Y82 HydrophobicContact CG1-CE1 3.9Å; I65-Y82 HydrophobicContact CG1-CE2 4.09Å; I65-Y82 HydrophobicContact CG2-CE1 4.38Å; I65-W85 HydrophobicContact CD1-CG 4.5Å; I65-Y97 HydrophobicContact CG2-CD2 3.62Å; I65-Y97 HydrophobicContact CG2-CE2 3.5Å; I65-G156 CarbonylContact O-C 3.2Å; I65-G156 VanDerWaalsContact O-CA 3.26Å; I65-G156 WeakPolarHBondContact O-CA 3.45Å; I65-G157 PolarHBondContact N-O 2.89Å; I65-G157 PolarHBondContact O-N 3.33Å; I65-L159 HydrophobicContact CB-CD1 3.69Å; I65-L159 HydrophobicContact CB-CG 3.7Å; I65-L159 HydrophobicContact CD1-CD1 4.01Å; I65-L159 HydrophobicContact CD1-CD2 4.15Å; I65-L159 HydrophobicContact CD1-CG 4.15Å; I65-L159 HydrophobicContact CG1-CD1 4.12Å; I65-L159 HydrophobicContact CG1-CG 4.41Å; I65-L159 HydrophobicContact CG2-CD1 4.43Å; I65-L159 HydrophobicContact CG2-CG 3.89Å; I65-K361 HydrophobicContact CB-CB 4.32Å; I65-K361 HydrophobicContact CG1-CB 4.12Å
66R98.5Very high96.4Very high26 Ų2628.3 Ų28.310%0.09814%0.143CC..  trans-160.2153.7-174.164.3179.5169.881.8-4.7112.2I64 A68 Y69 M78 Y82 L102 K361I64-R66 HydrophobicContact CG2-CB 4.23Å; I64-R66 HydrophobicContact CG2-CG 4.27Å; R66-A68 PolarHBondContact NH1-O 3.15Å; R66-Y69 HydrophobicContact CG-CE2 3.96Å; R66-Y69 VanDerWaalsContact CZ-CZ 3.41Å; R66-M78 WeakPolarHBondContact O-CG 3.46Å; R66-Y82 PolarHBondContact N-OH 3.49Å; R66-L102 HydrophobicContact CB-CD2 3.59Å; R66-L102 HydrophobicContact CG-CD2 4.11Å; R66-K361 HydrophobicContact CG-CD 4.19Å
67R98.3Very high96.5Very high46 Ų4628 Ų2817%0.17414%0.139CC..SBendtrans-99.1-18.2164.4-62.4-173.169.7-165-1.9112.2Y69 T75 M78 Y82 V125 D153 T155R67-Y69 PolarHBondContact O-N 2.86Å; R67-T75 HydrophobicContact CB-CG2 4.35Å; R67-T75 PolarHBondContact O-OG1 2.81Å; R67-M78 HydrophobicContact CG-CB 4.03Å; R67-Y82 HydrophobicContact CG-CD2 4.22Å; R67-Y82 HydrophobicContact CG-CE2 3.56Å; R67-V125 HydrophobicContact CB-CG1 3.95Å; R67-V125 HydrophobicContact CB-CG2 4.22Å; R67-D153 WeakPolarHBondContact CA-OD2 3.25Å; R67-D153 PolarHBondContact N-OD2 2.76Å; R67-T155 VanDerWaalsContact CD-OG1 3.31Å; R67-T155 WeakPolarHBondContact CD-OG1 3.43Å; R67-T155 WeakPolarHBondContact CG-OG1 3.36Å
68A97.9Very high96.5Very high3 Ų326.2 Ų26.23%0.02513%0.127CC..  trans-65.288.1-179.600000114R66 L102 V104 V116 L120 D153R66-A68 PolarHBondContact NH1-O 3.15Å; A68-L102 HydrophobicContact CB-CD2 3.98Å; A68-V104 HydrophobicContact CB-CG2 3.77Å; A68-V116 HydrophobicContact CB-CG1 3.75Å; A68-L120 HydrophobicContact CB-CD1 3.83Å; A68-L120 HydrophobicContact CB-CD2 4.05Å; A68-L120 HydrophobicContact CB-CG 4.22Å; A68-D153 HydrophobicContact CB-CB 3.99Å; A68-D153 PolarHBondContact N-OD2 2.85Å
69Y97.7Very high96.3Very high9 Ų926.6 Ų26.64%0.03513%0.133CC..  trans-123.3157.9174-83.8-91.8000111.4R66 R67 Y74 T119 H358 K361 F362R66-Y69 HydrophobicContact CG-CE2 3.96Å; R66-Y69 VanDerWaalsContact CZ-CZ 3.41Å; R67-Y69 PolarHBondContact O-N 2.86Å; Y69-Y74 AromaticContact CD1-CD2 3.64Å; Y69-Y74 HydrophobicContact CD1-CD2 3.64Å; Y69-Y74 HydrophobicContact CD1-CE2 4.47Å; Y69-Y74 AromaticContact CD1-CG 3.83Å; Y69-Y74 HydrophobicContact CD1-CG 3.83Å; Y69-Y74 HydrophobicContact CE1-CD2 4.08Å; Y69-Y74 HydrophobicContact CE1-CG 4.06Å; Y69-Y74 VanDerWaalsContact CG-CB 3.4Å; Y69-Y74 HydrophobicContact CG-CD2 4.2Å; Y69-Y74 HydrophobicContact CG-CG 4.11Å; Y69-T119 WeakPolarHBondContact O-CB 3.41Å; Y69-T119 WeakPolarHBondContact O-CG2 3.42Å; Y69-H358 AromaticContact CE1-CE1 3.96Å; Y69-H358 AromaticContact CE1-ND1 3.48Å; Y69-H358 WeakPolarHBondContact CE1-ND1 3.46Å; Y69-H358 AromaticContact CZ-ND1 3.73Å; Y69-H358 PolarHBondContact OH-ND1 3.29Å; Y69-H358 VanDerWaalsContact OH-ND1 3.17Å; Y69-K361 HydrophobicContact CE2-CD 4.26Å; Y69-K361 WeakPolarHBondContact OH-CD 3.34Å; Y69-K361 PolarHBondContact OH-NZ 3.36Å; Y69-F362 HydrophobicContact CD2-CZ 4.49Å; Y69-F362 HydrophobicContact CE1-CZ 4.39Å; Y69-F362 HydrophobicContact CE2-CE2 4.2Å; Y69-F362 AromaticContact CE2-CZ 3.63Å; Y69-F362 HydrophobicContact CE2-CZ 3.63Å; Y69-F362 AromaticContact CZ-CE2 3.75Å; Y69-F362 AromaticContact CZ-CZ 3.58Å; Y69-F362 WeakPolarHBondContact OH-CE2 3.36Å; Y69-F362 WeakPolarHBondContact OH-CZ 3.33Å
70E96.1Very high96.4Very high50 Ų5027.8 Ų27.823%0.23414%0.139CC..SBendtrans-69.4-40.6171.4-62155.4-130.900111.1D112 L115 V116 T119E70-D112 HydrophobicContact CG-CB 3.79Å; E70-D112 WeakPolarHBondContact OE1-CB 3.36Å; E70-D112 VanDerWaalsContact OE1-CG 3.23Å; E70-L115 HydrophobicContact CB-CB 4.09Å; E70-L115 HydrophobicContact CG-CB 3.99Å; E70-L115 HydrophobicContact CG-CD1 4.44Å; E70-V116 HydrophobicContact CG-CG2 3.73Å; E70-T119 PolarHBondContact O-OG1 3.13Å
71Q95.2Very high96.6Very high62 Ų6227 Ų2729%0.2913%0.13SC..SBendtrans-92.2133.8-177.5-5577.819.900111.5I73 Y74Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 HydrophobicContact CB-CG2 4.22Å; Q71-I73 PolarHBondContact O-N 3.22Å; Q71-Y74 HydrophobicContact CB-CD2 4.1Å; Q71-Y74 PolarHBondContact O-N 2.96Å
72D95.1Very high96.8Very high43 Ų4325.9 Ų25.923%0.2312%0.124CC..Hα-helixtrans-54.1-43.8-179.7-74.7-62.1000112.6Y74 T75 Q76 K122 N123D72-Y74 VanDerWaalsContact C-N 3.29Å; D72-Y74 PolarHBondContact O-N 3.47Å; D72-T75 WeakPolarHBondContact O-CA 3.4Å; D72-T75 WeakPolarHBondContact O-CB 3.34Å; D72-T75 PolarHBondContact O-N 3.37Å; D72-Q76 WeakPolarHBondContact O-CG 3.43Å; D72-Q76 PolarHBondContact O-N 3.01Å; D72-K122 IonicContact OD1-NZ 3.63Å; D72-K122 IonicContact OD2-NZ 3.57Å; D72-K122 PolarHBondContact OD2-NZ 3.12Å; D72-N123 PolarHBondContact OD1-ND2 3.11Å
73I94.8Very high96.8Very high26 Ų2632.2 Ų32.213%0.13315%0.154CC..Hα-helixtrans-55.4-42.4-173.9-175.957.2000112.4Q71 Q76 M77 D382 F386Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 HydrophobicContact CB-CG2 4.22Å; Q71-I73 PolarHBondContact O-N 3.22Å; I73-Q76 PolarHBondContact O-N 2.97Å; I73-M77 HydrophobicContact CD1-CG 4.17Å; I73-M77 HydrophobicContact CD1-SD 4.48Å; I73-M77 HydrophobicContact CG1-CG 4.38Å; I73-M77 HydrophobicContact CG1-SD 4.15Å; I73-M77 WeakPolarHBondContact O-CB 3.27Å; I73-M77 WeakPolarHBondContact O-CG 3.4Å; I73-M77 PolarHBondContact O-N 3.23Å; I73-D382 VanDerWaalsContact CD1-O 3.3Å; I73-D382 WeakPolarHBondContact CD1-O 3.13Å; I73-F386 HydrophobicContact CG1-CE2 4.16Å; I73-F386 HydrophobicContact CG1-CZ 4.14Å; I73-F386 HydrophobicContact CG2-CZ 4.28Å
74Y97Very high96.8Very high3 Ų330.9 Ų30.91%0.01215%0.15CC..Hα-helixtrans-68.4-39178.2-70.1-54.8000112.4Y69 Q71 D72 Q76 M77 M78 H337 F338 H358 F362 F386Y69-Y74 AromaticContact CD1-CD2 3.64Å; Y69-Y74 HydrophobicContact CD1-CD2 3.64Å; Y69-Y74 HydrophobicContact CD1-CE2 4.47Å; Y69-Y74 AromaticContact CD1-CG 3.83Å; Y69-Y74 HydrophobicContact CD1-CG 3.83Å; Y69-Y74 HydrophobicContact CE1-CD2 4.08Å; Y69-Y74 HydrophobicContact CE1-CG 4.06Å; Y69-Y74 VanDerWaalsContact CG-CB 3.4Å; Y69-Y74 HydrophobicContact CG-CD2 4.2Å; Y69-Y74 HydrophobicContact CG-CG 4.11Å; Q71-Y74 HydrophobicContact CB-CD2 4.1Å; Q71-Y74 PolarHBondContact O-N 2.96Å; D72-Y74 VanDerWaalsContact C-N 3.29Å; D72-Y74 PolarHBondContact O-N 3.47Å; Y74-Q76 VanDerWaalsContact C-N 3.3Å; Y74-Q76 PolarHBondContact O-N 3.28Å; Y74-M77 HydrophobicContact CD1-SD 4.41Å; Y74-M78 WeakPolarHBondContact O-CG 3.4Å; Y74-M78 PolarHBondContact O-N 2.91Å; Y74-M78 VanDerWaalsContact O-N 3.09Å; Y74-H337 AromaticContact CE2-CE1 3.61Å; Y74-H337 AromaticContact CE2-ND1 3.42Å; Y74-H337 WeakPolarHBondContact CE2-ND1 3.4Å; Y74-H337 AromaticContact CZ-ND1 3.44Å; Y74-H337 WeakPolarHBondContact OH-CA 3.29Å; Y74-H337 PolarHBondContact OH-ND1 3.36Å; Y74-F338 HydrophobicContact CD1-CE2 4.13Å; Y74-F338 HydrophobicContact CD1-CZ 4.41Å; Y74-F338 AromaticContact CE1-CD2 3.87Å; Y74-F338 HydrophobicContact CE1-CD2 3.87Å; Y74-F338 HydrophobicContact CE1-CE1 4.31Å; Y74-F338 AromaticContact CE1-CE2 3.46Å; Y74-F338 HydrophobicContact CE1-CE2 3.46Å; Y74-F338 VanDerWaalsContact CE1-CE2 3.46Å; Y74-F338 HydrophobicContact CE1-CG 4.44Å; Y74-F338 AromaticContact CE1-CZ 3.71Å; Y74-F338 HydrophobicContact CE1-CZ 3.71Å; Y74-H358 AromaticContact CE1-CE1 3.72Å; Y74-H358 AromaticContact CE2-CE1 3.97Å; Y74-H358 AromaticContact CZ-CE1 3.5Å; Y74-H358 VanDerWaalsContact CZ-CE1 3.5Å; Y74-H358 PolarHBondContact OH-CE1 2.82Å; Y74-F362 AromaticContact CD1-CE1 3.81Å; Y74-F362 HydrophobicContact CD1-CE1 3.81Å; Y74-F362 HydrophobicContact CD1-CE2 4.12Å; Y74-F362 AromaticContact CD1-CZ 3.46Å; Y74-F362 HydrophobicContact CD1-CZ 3.46Å; Y74-F362 VanDerWaalsContact CD1-CZ 3.46Å; Y74-F362 HydrophobicContact CE1-CZ 4.33Å; Y74-F362 HydrophobicContact CG-CE1 4.48Å; Y74-F362 AromaticContact CG-CZ 4Å; Y74-F362 HydrophobicContact CG-CZ 4Å; Y74-F386 HydrophobicContact CD1-CZ 4.15Å; Y74-F386 AromaticContact CE1-CE1 3.73Å; Y74-F386 HydrophobicContact CE1-CE1 3.73Å; Y74-F386 AromaticContact CE1-CZ 3.5Å; Y74-F386 HydrophobicContact CE1-CZ 3.5Å; Y74-F386 AromaticContact CZ-CE1 3.73Å; Y74-F386 AromaticContact CZ-CZ 3.95Å; Y74-F386 WeakPolarHBondContact OH-CE1 3.35Å
75T96.8Very high96.8Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-63.8-38.7176.4-56.60000111.5R67 D72 G79 T119 N123 V125R67-T75 HydrophobicContact CB-CG2 4.35Å; R67-T75 PolarHBondContact O-OG1 2.81Å; D72-T75 WeakPolarHBondContact O-CA 3.4Å; D72-T75 WeakPolarHBondContact O-CB 3.34Å; D72-T75 PolarHBondContact O-N 3.37Å; T75-G79 PolarHBondContact O-N 3.32Å; T75-T119 WeakPolarHBondContact OG1-CG2 3.48Å; T75-N123 HydrophobicContact CG2-CB 3.67Å; T75-V125 HydrophobicContact CG2-CG2 3.69Å
76Q94.8Very high96.8Very high95 Ų9533 Ų3344%0.44417%0.169SC..Hα-helixtrans-72.5-48.2178.6-69.9171.1-3.700111.8D72 I73 Y74 M78 G79 N123D72-Q76 WeakPolarHBondContact O-CG 3.43Å; D72-Q76 PolarHBondContact O-N 3.01Å; I73-Q76 PolarHBondContact O-N 2.97Å; Y74-Q76 VanDerWaalsContact C-N 3.3Å; Y74-Q76 PolarHBondContact O-N 3.28Å; Q76-M78 PolarHBondContact O-N 3.16Å; Q76-G79 WeakPolarHBondContact O-CA 3.29Å; Q76-G79 PolarHBondContact O-N 2.89Å; Q76-N123 WeakPolarHBondContact CG-OD1 3.23Å; Q76-N123 PolarHBondContact NE2-OD1 3.19Å
77M96.1Very high96.8Very high2 Ų235.5 Ų35.51%0.0118%0.182CC..Hα-helixtrans-54.2-42174.4-75175.178.100111.6I73 Y74 G79 E80 G81 F362 V365 I366 F381 F386I73-M77 HydrophobicContact CD1-CG 4.17Å; I73-M77 HydrophobicContact CD1-SD 4.48Å; I73-M77 HydrophobicContact CG1-CG 4.38Å; I73-M77 HydrophobicContact CG1-SD 4.15Å; I73-M77 WeakPolarHBondContact O-CB 3.27Å; I73-M77 WeakPolarHBondContact O-CG 3.4Å; I73-M77 PolarHBondContact O-N 3.23Å; Y74-M77 HydrophobicContact CD1-SD 4.41Å; M77-G79 PolarHBondContact O-N 3.49Å; M77-E80 PolarHBondContact O-N 3.44Å; M77-G81 PolarHBondContact O-N 3.37Å; M77-F362 HydrophobicContact CB-CD1 4.16Å; M77-F362 HydrophobicContact CB-CE1 4.1Å; M77-F362 HydrophobicContact CE-CD1 4.14Å; M77-F362 HydrophobicContact SD-CD1 4.49Å; M77-V365 HydrophobicContact CB-CG1 4.42Å; M77-V365 HydrophobicContact CE-CG1 3.8Å; M77-I366 HydrophobicContact CE-CG1 4.27Å; M77-F381 HydrophobicContact CG-CD1 4.13Å; M77-F381 HydrophobicContact CG-CE1 4.37Å; M77-F386 HydrophobicContact CE-CE2 4.24Å; M77-F386 HydrophobicContact SD-CE2 3.6Å; M77-F386 HydrophobicContact SD-CZ 3.98Å
78M96.6Very high96.8Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-65.6-24.9178.2-73.1-57.9-46.500113I65 R66 R67 Y74 Q76 E80 G81 Y82 K361 F362I65-M78 HydrophobicContact CD1-CE 3.69Å; I65-M78 HydrophobicContact CG1-CE 3.52Å; R66-M78 WeakPolarHBondContact O-CG 3.46Å; R67-M78 HydrophobicContact CG-CB 4.03Å; Y74-M78 WeakPolarHBondContact O-CG 3.4Å; Y74-M78 PolarHBondContact O-N 2.91Å; Y74-M78 VanDerWaalsContact O-N 3.09Å; Q76-M78 PolarHBondContact O-N 3.16Å; M78-E80 VanDerWaalsContact C-N 3.33Å; M78-E80 PolarHBondContact O-N 2.64Å; M78-G81 PolarHBondContact O-N 2.88Å; M78-Y82 HydrophobicContact CB-CD2 4.38Å; M78-Y82 HydrophobicContact CB-CE2 4.25Å; M78-Y82 HydrophobicContact CE-CD2 3.83Å; M78-Y82 HydrophobicContact CE-CE2 3.59Å; M78-Y82 WeakPolarHBondContact O-CD2 3.46Å; M78-Y82 PolarHBondContact O-N 2.91Å; M78-K361 HydrophobicContact CE-CB 4.44Å; M78-K361 HydrophobicContact SD-CB 4.3Å; M78-K361 HydrophobicContact SD-CD 4.27Å; M78-K361 HydrophobicContact SD-CG 3.89Å; M78-F362 HydrophobicContact CG-CD1 4.12Å; M78-F362 HydrophobicContact CG-CE1 3.53Å; M78-F362 HydrophobicContact CG-CZ 4.06Å; M78-F362 HydrophobicContact SD-CD1 3.6Å; M78-F362 VanDerWaalsContact SD-CD1 3.6Å; M78-F362 HydrophobicContact SD-CE1 3.61Å; M78-F362 HydrophobicContact SD-CG 4.16Å; M78-F362 HydrophobicContact SD-CZ 4.19Å
79G92.8Very high96.9Very high26 Ų2635.9 Ų35.927%0.26819%0.185SC..Hα-helixtrans-51.7-50.5172.900000112.6T75 Q76 M77T75-G79 PolarHBondContact O-N 3.32Å; Q76-G79 WeakPolarHBondContact O-CA 3.29Å; Q76-G79 PolarHBondContact O-N 2.89Å; M77-G79 PolarHBondContact O-N 3.49Å
80E95.3Very high96.9Very high48 Ų4844.3 Ų44.322%0.22422%0.222CC..Hα-helixtrans-75-35.5171.6-172.3174.3157.100111.8M77 M78 Y82 Q83 L84 V365 K368 F381M77-E80 PolarHBondContact O-N 3.44Å; M78-E80 VanDerWaalsContact C-N 3.33Å; M78-E80 PolarHBondContact O-N 2.64Å; E80-Y82 VanDerWaalsContact C-N 3.3Å; E80-Y82 PolarHBondContact O-N 2.99Å; E80-Q83 WeakPolarHBondContact O-CA 3.49Å; E80-Q83 WeakPolarHBondContact O-CB 3.36Å; E80-Q83 PolarHBondContact O-N 3.42Å; E80-L84 HydrophobicContact CG-CD1 4.02Å; E80-L84 HydrophobicContact CG-CG 4.09Å; E80-L84 PolarHBondContact O-N 2.95Å; E80-V365 HydrophobicContact CB-CG2 4.5Å; E80-K368 WeakPolarHBondContact OE1-CD 3.19Å; E80-K368 WeakPolarHBondContact OE1-CE 3.47Å; E80-K368 IonicContact OE1-NZ 2.87Å; E80-K368 PolarHBondContact OE1-NZ 2.69Å; E80-K368 IonicContact OE2-NZ 2.81Å; E80-F381 HydrophobicContact CB-CE2 4.41Å; E80-F381 HydrophobicContact CB-CZ 3.71Å; E80-F381 HydrophobicContact CG-CZ 4.33Å; E80-F381 WeakPolarHBondContact OE2-CE2 3.35Å; E80-F381 WeakPolarHBondContact OE2-CZ 3.32Å
81G97.4Very high97Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-54.5-41.5-179.600000114.2M77 M78 Q83 L84 W85M77-G81 PolarHBondContact O-N 3.37Å; M78-G81 PolarHBondContact O-N 2.88Å; G81-Q83 VanDerWaalsContact C-N 3.32Å; G81-Q83 PolarHBondContact O-N 3.3Å; G81-L84 PolarHBondContact O-N 3.37Å; G81-W85 PolarHBondContact O-N 3.45Å
82Y98.4Very high97.2Very high37 Ų3743.4 Ų43.415%0.14522%0.222CC..Hα-helixtrans-63.7-37.3174.6-81.9-88.3000112.5I65 R66 R67 M78 E80 W85 A86 Y97 T155I65-Y82 HydrophobicContact CD1-CD1 3.82Å; I65-Y82 HydrophobicContact CD1-CD2 4.47Å; I65-Y82 HydrophobicContact CD1-CE1 3.47Å; I65-Y82 VanDerWaalsContact CD1-CE1 3.47Å; I65-Y82 HydrophobicContact CD1-CE2 4.1Å; I65-Y82 HydrophobicContact CD1-CG 4.31Å; I65-Y82 HydrophobicContact CG1-CE1 3.9Å; I65-Y82 HydrophobicContact CG1-CE2 4.09Å; I65-Y82 HydrophobicContact CG2-CE1 4.38Å; R66-Y82 PolarHBondContact N-OH 3.49Å; R67-Y82 HydrophobicContact CG-CD2 4.22Å; R67-Y82 HydrophobicContact CG-CE2 3.56Å; M78-Y82 HydrophobicContact CB-CD2 4.38Å; M78-Y82 HydrophobicContact CB-CE2 4.25Å; M78-Y82 HydrophobicContact CE-CD2 3.83Å; M78-Y82 HydrophobicContact CE-CE2 3.59Å; M78-Y82 WeakPolarHBondContact O-CD2 3.46Å; M78-Y82 PolarHBondContact O-N 2.91Å; E80-Y82 VanDerWaalsContact C-N 3.3Å; E80-Y82 PolarHBondContact O-N 2.99Å; Y82-W85 PolarHBondContact O-N 3.19Å; Y82-A86 WeakPolarHBondContact O-CB 3.3Å; Y82-A86 PolarHBondContact O-N 3.37Å; Y82-Y97 HydrophobicContact CD1-CE1 4.28Å; Y82-Y97 HydrophobicContact CE1-CE1 4.13Å; Y82-Y97 HydrophobicContact CE1-CE2 4.2Å; Y82-Y97 AromaticContact CE1-CZ 3.82Å; Y82-T155 WeakPolarHBondContact CE1-O 3.47Å; Y82-T155 PolarHBondContact OH-O 2.97Å
83Q98.2Very high97.3Very high137 Ų13744.7 Ų44.764%0.6425%0.245SC*.Hα-helixtrans-66-43.7177.5-60.4177.1-13.800110.8E80 G81 A86 Q87E80-Q83 WeakPolarHBondContact O-CA 3.49Å; E80-Q83 WeakPolarHBondContact O-CB 3.36Å; E80-Q83 PolarHBondContact O-N 3.42Å; G81-Q83 VanDerWaalsContact C-N 3.32Å; G81-Q83 PolarHBondContact O-N 3.3Å; Q83-A86 PolarHBondContact O-N 2.98Å; Q83-Q87 WeakPolarHBondContact O-CB 3.29Å; Q83-Q87 PolarHBondContact O-N 3.05Å
84L98.5Very high97.5Very high19 Ų1946.5 Ų46.510%0.09926%0.258CS..Hα-helixtrans-68.9-35.1178.6-65.3175000112.7E80 G81 Q87 L88 P364 V365 K368E80-L84 HydrophobicContact CG-CD1 4.02Å; E80-L84 HydrophobicContact CG-CG 4.09Å; E80-L84 PolarHBondContact O-N 2.95Å; G81-L84 PolarHBondContact O-N 3.37Å; L84-Q87 PolarHBondContact O-N 3.01Å; L84-L88 PolarHBondContact O-N 3.49Å; L84-P364 HydrophobicContact CB-CB 3.4Å; L84-P364 VanDerWaalsContact CB-CB 3.4Å; L84-P364 HydrophobicContact CB-CG 4.25Å; L84-P364 HydrophobicContact CD1-CB 3.88Å; L84-P364 HydrophobicContact CG-CB 4.3Å; L84-V365 HydrophobicContact CD1-CG2 3.87Å; L84-K368 HydrophobicContact CD1-CD 4.43Å
85W98.8Very high97.5Very high4 Ų450 Ų502%0.01528%0.28CS..Hα-helixtrans-62.6-46.3170.6-82119.1000111.8F31 I65 G81 Y82 Q87 L88 E89 L96 L159 A164 F360 K361 P364F31-W85 AromaticContact CE2-CH2 3.48Å; F31-W85 HydrophobicContact CE2-CH2 3.48Å; F31-W85 VanDerWaalsContact CE2-CH2 3.48Å; F31-W85 HydrophobicContact CE2-CZ2 4.13Å; F31-W85 AromaticContact CE2-CZ3 3.79Å; F31-W85 HydrophobicContact CE2-CZ3 3.79Å; F31-W85 HydrophobicContact CZ-CE3 4.04Å; F31-W85 AromaticContact CZ-CH2 3.67Å; F31-W85 HydrophobicContact CZ-CH2 3.67Å; F31-W85 HydrophobicContact CZ-CZ2 4.35Å; F31-W85 AromaticContact CZ-CZ3 3.48Å; F31-W85 HydrophobicContact CZ-CZ3 3.48Å; F31-W85 VanDerWaalsContact CZ-CZ3 3.48Å; I65-W85 HydrophobicContact CD1-CG 4.5Å; G81-W85 PolarHBondContact O-N 3.45Å; Y82-W85 PolarHBondContact O-N 3.19Å; W85-Q87 VanDerWaalsContact C-N 3.27Å; W85-Q87 PolarHBondContact O-N 3.19Å; W85-L88 HydrophobicContact CE3-CD2 4.37Å; W85-L88 HydrophobicContact CZ3-CD2 4.12Å; W85-L88 PolarHBondContact O-N 3.1Å; W85-E89 WeakPolarHBondContact O-CB 3.3Å; W85-E89 PolarHBondContact O-N 3.49Å; W85-L96 HydrophobicContact CE3-CD1 4.29Å; W85-L96 HydrophobicContact CZ3-CD1 4.42Å; W85-L159 HydrophobicContact CD2-CD2 4.02Å; W85-L159 HydrophobicContact CE3-CD2 4.32Å; W85-L159 HydrophobicContact CG-CD2 4.32Å; W85-L159 HydrophobicContact CZ2-CD1 3.85Å; W85-A164 HydrophobicContact CH2-CB 3.79Å; W85-A164 HydrophobicContact CZ3-CB 3.54Å; W85-F360 HydrophobicContact CH2-CE1 4.01Å; W85-F360 HydrophobicContact CZ2-CD1 4.47Å; W85-F360 HydrophobicContact CZ2-CE1 4.26Å; W85-K361 PolarHBondContact NE1-O 2.97Å; W85-P364 HydrophobicContact CD2-CG 3.57Å; W85-P364 VanDerWaalsContact CE2-CG 3.42Å; W85-P364 HydrophobicContact CE3-CG 4.1Å; W85-P364 HydrophobicContact CG-CG 3.88Å; W85-P364 HydrophobicContact CH2-CG 4.36Å; W85-P364 VanDerWaalsContact CZ2-CD 3.44Å; W85-P364 HydrophobicContact CZ2-CG 3.87Å; W85-P364 HydrophobicContact CZ3-CG 4.46Å
86A98.7Very high97.6Very high58 Ų5850 Ų5048%0.47928%0.28SS..Hα-helixtrans-63.1-35.2176.400000112.2Y82 Q83 E89 K90Y82-A86 WeakPolarHBondContact O-CB 3.3Å; Y82-A86 PolarHBondContact O-N 3.37Å; Q83-A86 PolarHBondContact O-N 2.98Å; A86-E89 WeakPolarHBondContact O-CB 3.38Å; A86-E89 PolarHBondContact O-N 3.49Å; A86-K90 PolarHBondContact O-N 3.48Å
87Q98.6Very high97.8Very high77 Ų7747.9 Ų47.936%0.3627%0.268SS..Hα-helixtrans-62.2-50173.3176.2171.56.500111.6Q83 L84 W85 E89 K90 E91Q83-Q87 WeakPolarHBondContact O-CB 3.29Å; Q83-Q87 PolarHBondContact O-N 3.05Å; L84-Q87 PolarHBondContact O-N 3.01Å; W85-Q87 VanDerWaalsContact C-N 3.27Å; W85-Q87 PolarHBondContact O-N 3.19Å; Q87-E89 VanDerWaalsContact C-N 3.28Å; Q87-E89 PolarHBondContact O-N 2.96Å; Q87-K90 PolarHBondContact O-N 3.32Å; Q87-E91 HydrophobicContact CG-CG 4.36Å; Q87-E91 VanDerWaalsContact CG-OE1 3.29Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.5Å; Q87-E91 PolarHBondContact NE2-OE1 3.41Å; Q87-E91 WeakPolarHBondContact O-CG 3.4Å; Q87-E91 PolarHBondContact O-N 3.37Å
88L98.8Very high97.8Very high1 Ų152.4 Ų52.41%0.00529%0.285CS..Hα-helixtrans-60.3-41176.3179.666.4000111.2F31 L84 W85 K90 E91 A92 L96 A167 V168 Q171F31-L88 HydrophobicContact CE1-CD2 3.8Å; F31-L88 HydrophobicContact CZ-CD2 3.46Å; F31-L88 VanDerWaalsContact CZ-CD2 3.46Å; L84-L88 PolarHBondContact O-N 3.49Å; W85-L88 HydrophobicContact CE3-CD2 4.37Å; W85-L88 HydrophobicContact CZ3-CD2 4.12Å; W85-L88 PolarHBondContact O-N 3.1Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 2.93Å; L88-E91 PolarHBondContact O-N 3.07Å; L88-A92 WeakPolarHBondContact O-CB 3.12Å; L88-A92 PolarHBondContact O-N 3.08Å; L88-L96 HydrophobicContact CB-CD1 4.2Å; L88-L96 HydrophobicContact CD2-CD1 3.62Å; L88-L96 HydrophobicContact CG-CD1 3.74Å; L88-A167 HydrophobicContact CD2-CB 4.32Å; L88-A167 HydrophobicContact CG-CB 4.42Å; L88-V168 HydrophobicContact CD1-CB 4.33Å; L88-V168 HydrophobicContact CD2-CB 3.93Å; L88-Q171 HydrophobicContact CD1-CB 4.44Å; L88-Q171 HydrophobicContact CD1-CG 3.9Å
89E98.6Very high97.9Very high56 Ų5658 Ų5826%0.26231%0.311SS..Hα-helixtrans-54.9-47.4176.6-154.1175.5102.700111.2W85 A86 Q87 G93 V94 L96 Y97W85-E89 WeakPolarHBondContact O-CB 3.3Å; W85-E89 PolarHBondContact O-N 3.49Å; A86-E89 WeakPolarHBondContact O-CB 3.38Å; A86-E89 PolarHBondContact O-N 3.49Å; Q87-E89 VanDerWaalsContact C-N 3.28Å; Q87-E89 PolarHBondContact O-N 2.96Å; E89-G93 WeakPolarHBondContact O-CA 3.42Å; E89-G93 PolarHBondContact O-N 3.08Å; E89-V94 WeakPolarHBondContact CG-O 3.41Å; E89-V94 PolarHBondContact O-N 3.45Å; E89-L96 HydrophobicContact CB-CD1 4.46Å; E89-L96 HydrophobicContact CB-CG 4.48Å; E89-L96 HydrophobicContact CG-CB 4.29Å; E89-L96 HydrophobicContact CG-CG 4.2Å; E89-L96 PolarHBondContact OE2-N 2.54Å; E89-Y97 PolarHBondContact OE2-N 3.08Å
90K98.7Very high98.1Very high186 Ų18657.7 Ų57.781%0.80930%0.304SS*.Hα-helixtrans-66-45.9177.6-176.8-178.6178.1-177.20112.7A86 Q87 L88 A92A86-K90 PolarHBondContact O-N 3.48Å; Q87-K90 PolarHBondContact O-N 3.32Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 2.93Å; K90-A92 VanDerWaalsContact C-N 3.33Å
91E98.4Very high98.2Very high69 Ų6955.6 Ų55.632%0.32230%0.295SS..Hα-helixtrans-68.1-33.3-179-70.7178.4-170.300112.3Y34 K38 Q87 L88 Q171Y34-E91 VanDerWaalsContact OH-CD 3.26Å; Y34-E91 PolarHBondContact OH-OE1 3.26Å; Y34-E91 PolarHBondContact OH-OE2 3.35Å; K38-E91 IonicContact NZ-OE1 2.72Å; K38-E91 PolarHBondContact NZ-OE1 2.95Å; K38-E91 IonicContact NZ-OE2 3.33Å; Q87-E91 HydrophobicContact CG-CG 4.36Å; Q87-E91 VanDerWaalsContact CG-OE1 3.29Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.5Å; Q87-E91 PolarHBondContact NE2-OE1 3.41Å; Q87-E91 WeakPolarHBondContact O-CG 3.4Å; Q87-E91 PolarHBondContact O-N 3.37Å; L88-E91 PolarHBondContact O-N 3.07Å; E91-Q171 PolarHBondContact O-NE2 2.79Å
92A98.3Very high98.3Very high24 Ų2455.6 Ų55.620%0.19830%0.295CS..Hα-helixtrans-88.4-19.4178.700000114L88 K90 V94 A167 Q171L88-A92 WeakPolarHBondContact O-CB 3.12Å; L88-A92 PolarHBondContact O-N 3.08Å; K90-A92 VanDerWaalsContact C-N 3.33Å; A92-V94 VanDerWaalsContact C-N 3.26Å; A92-V94 HydrophobicContact CB-CG2 3.78Å; A92-V94 PolarHBondContact O-N 3.49Å; A92-A167 HydrophobicContact CB-CB 3.81Å; A92-Q171 VanDerWaalsContact CA-NE2 3.31Å; A92-Q171 HydrophobicContact CB-CG 4.44Å
93G98.3Very high98.3Very high70 Ų7054 Ų5472%0.72229%0.289SS*.THydrogen-bonded Turntrans66.228.3-178.700000113.2E89E89-G93 WeakPolarHBondContact O-CA 3.42Å; E89-G93 PolarHBondContact O-N 3.08Å
94V98.3Very high98.3Very high65 Ų6547.6 Ų47.639%0.39426%0.259SS..SBendtrans-132.7141.8-178.7-63.90000109.5E89 A92 L96 A167E89-V94 WeakPolarHBondContact CG-O 3.41Å; E89-V94 PolarHBondContact O-N 3.45Å; A92-V94 VanDerWaalsContact C-N 3.26Å; A92-V94 HydrophobicContact CB-CG2 3.78Å; A92-V94 PolarHBondContact O-N 3.49Å; V94-L96 HydrophobicContact CG2-CD2 3.79Å; V94-L96 HydrophobicContact CG2-CG 4.22Å; V94-L96 PolarHBondContact O-N 3.22Å; V94-A167 HydrophobicContact CG2-CB 4.07Å
95T98Very high98.2Very high77 Ų7747 Ų4747%0.47226%0.256SS..  trans-72.8126.8174.8-53.40000111.4F160T95-F160 HydrophobicContact CG2-CE2 4.24Å
96L98.4Very high98.1Very high0 Ų046.8 Ų46.80%026%0.255CS..  trans-114.8-27-178.1-62.3-176000112.6W85 L88 E89 V94 L159 F160 R163 A164 A167W85-L96 HydrophobicContact CE3-CD1 4.29Å; W85-L96 HydrophobicContact CZ3-CD1 4.42Å; L88-L96 HydrophobicContact CB-CD1 4.2Å; L88-L96 HydrophobicContact CD2-CD1 3.62Å; L88-L96 HydrophobicContact CG-CD1 3.74Å; E89-L96 HydrophobicContact CB-CD1 4.46Å; E89-L96 HydrophobicContact CB-CG 4.48Å; E89-L96 HydrophobicContact CG-CB 4.29Å; E89-L96 HydrophobicContact CG-CG 4.2Å; E89-L96 PolarHBondContact OE2-N 2.54Å; V94-L96 HydrophobicContact CG2-CD2 3.79Å; V94-L96 HydrophobicContact CG2-CG 4.22Å; V94-L96 PolarHBondContact O-N 3.22Å; L96-L159 WeakPolarHBondContact O-CA 3.39Å; L96-F160 WeakPolarHBondContact O-CD2 3.49Å; L96-F160 PolarHBondContact O-N 3.02Å; L96-R163 HydrophobicContact CD2-CB 3.85Å; L96-A164 HydrophobicContact CD2-CB 4.25Å; L96-A167 HydrophobicContact CD1-CB 4.38Å; L96-A167 HydrophobicContact CD2-CB 4.27Å
97Y98.1Very high97.9Very high49 Ų4945.4 Ų45.419%0.19224%0.241CC..EExtended strand (participates in β ladder)trans-122.2135.5-176.1168.7-128.5000111.9I65 Y82 E89 Q99 T155I65-Y97 HydrophobicContact CG2-CD2 3.62Å; I65-Y97 HydrophobicContact CG2-CE2 3.5Å; Y82-Y97 HydrophobicContact CD1-CE1 4.28Å; Y82-Y97 HydrophobicContact CE1-CE1 4.13Å; Y82-Y97 HydrophobicContact CE1-CE2 4.2Å; Y82-Y97 AromaticContact CE1-CZ 3.82Å; E89-Y97 PolarHBondContact OE2-N 3.08Å; Y97-Q99 HydrophobicContact CE1-CB 3.98Å; Y97-Q99 HydrophobicContact CE2-CB 4.3Å; Y97-Q99 WeakPolarHBondContact OH-CA 3.41Å; Y97-Q99 WeakPolarHBondContact OH-CB 3.44Å; Y97-Q99 WeakPolarHBondContact OH-CG 3.3Å; Y97-T155 PolarHBondContact OH-O 2.9Å
98R97.4Very high97.6Very high98 Ų9845 Ų4537%0.3724%0.24SC..EExtended strand (participates in β ladder)trans-121.5117.7167.2-178.7174.6-72.5162.9-1.4110T100 V158 F160 N274R98-T100 HydrophobicContact CG-CG2 3.95Å; R98-T100 PolarHBondContact O-N 3.28Å; R98-V158 HydrophobicContact CB-CB 4.4Å; R98-V158 PolarHBondContact N-O 3.23Å; R98-V158 PolarHBondContact O-N 2.89Å; R98-F160 HydrophobicContact CB-CE2 4.23Å; R98-F160 HydrophobicContact CB-CZ 4.07Å; R98-N274 PolarHBondContact NH1-OD1 2.86Å
99Q97.4Very high97.4Very high117 Ų11751.3 Ų51.355%0.54728%0.278SS..  trans-75.689.5176.7-173.2168.26.400111.1Y97 V154Y97-Q99 HydrophobicContact CE1-CB 3.98Å; Y97-Q99 HydrophobicContact CE2-CB 4.3Å; Y97-Q99 WeakPolarHBondContact OH-CA 3.41Å; Y97-Q99 WeakPolarHBondContact OH-CB 3.44Å; Y97-Q99 WeakPolarHBondContact OH-CG 3.3Å; Q99-V154 WeakPolarHBondContact CG-O 3.03Å; Q99-V154 PolarHBondContact NE2-O 3.46Å
100T97.2Very high97.1Very high20 Ų2051.7 Ų51.712%0.12329%0.287CS..  trans-92.4-8.4173.459.10000112.4R98 G156 G157 V158 V249 P254 C255 P272R98-T100 HydrophobicContact CG-CG2 3.95Å; R98-T100 PolarHBondContact O-N 3.28Å; T100-G156 PolarHBondContact N-O 2.83Å; T100-G157 WeakPolarHBondContact OG1-CA 3.41Å; T100-V158 HydrophobicContact CG2-CG2 3.93Å; T100-V249 HydrophobicContact CG2-CG1 4.32Å; T100-P254 WeakPolarHBondContact O-CA 3.41Å; T100-P254 WeakPolarHBondContact O-CB 3.27Å; T100-C255 PolarHBondContact OG1-N 2.92Å; T100-P272 HydrophobicContact CG2-CG 4.19Å
101G97.8Very high96.7Very high4 Ų445.1 Ų45.14%0.04127%0.272CS..  trans74.4163.4-160.500000111.9D153 G156 C255G101-D153 WeakPolarHBondContact CA-O 3.48Å; G101-G156 CarbonylContact C-O 3.56Å; G101-G156 WeakPolarHBondContact CA-O 3.27Å; G101-G156 PolarHBondContact N-O 3.02Å; G101-C255 PolarHBondContact O-N 3.4Å; G101-C255 VanDerWaalsContact O-N 3.13Å
102L98.5Very high96.5Very high0 Ų043.9 Ų43.90%027%0.268CS..EExtended strand (participates in β ladder)trans-123.2115.8166.8178.884.5000110.1I64 R66 A68 V104 L152 D153 C255 V257I64-L102 HydrophobicContact CD1-CD1 4.2Å; I64-L102 HydrophobicContact CG2-CD1 3.76Å; R66-L102 HydrophobicContact CB-CD2 3.59Å; R66-L102 HydrophobicContact CG-CD2 4.11Å; A68-L102 HydrophobicContact CB-CD2 3.98Å; L102-V104 HydrophobicContact CD2-CG2 3.69Å; L102-V104 HydrophobicContact CG-CG2 4.21Å; L102-L152 WeakPolarHBondContact O-CA 3.02Å; L102-D153 HydrophobicContact CB-CB 4.33Å; L102-D153 PolarHBondContact N-O 3.32Å; L102-D153 PolarHBondContact O-N 3.22Å; L102-C255 CarbonylContact C-O 3.45Å; L102-C255 WeakPolarHBondContact CA-O 3.14Å; L102-C255 HydrophobicContact CD1-CB 3.67Å; L102-V257 HydrophobicContact CD1-CG2 4.18Å
103L98.4Very high96.4Very high2 Ų242.8 Ų42.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-80119.8170-177.767.6000110M105 L130 F135 I139 A150 L151 L152 P254 C255 F256 V257L103-M105 HydrophobicContact CD1-CG 4.43Å; L103-M105 HydrophobicContact CD2-CE 3.79Å; L103-M105 HydrophobicContact CD2-CG 4.18Å; L103-M105 HydrophobicContact CD2-SD 3.68Å; L103-M105 HydrophobicContact CG-CE 4.28Å; L103-M105 HydrophobicContact CG-CG 3.95Å; L103-M105 HydrophobicContact CG-SD 4.14Å; L103-L130 HydrophobicContact CD1-CD1 3.83Å; L103-F135 HydrophobicContact CD1-CE2 4.13Å; L103-F135 HydrophobicContact CD2-CE2 4.01Å; L103-F135 HydrophobicContact CD2-CZ 4.07Å; L103-I139 HydrophobicContact CD1-CG1 4.32Å; L103-I139 HydrophobicContact CD2-CD1 4.29Å; L103-I139 HydrophobicContact CD2-CG1 4Å; L103-I139 HydrophobicContact CD2-CG2 3.98Å; L103-A150 HydrophobicContact CD1-CB 4.28Å; L103-L151 CarbonylContact C-O 3.47Å; L103-L151 WeakPolarHBondContact CA-O 3.37Å; L103-L152 HydrophobicContact CB-CD1 4.31Å; L103-P254 HydrophobicContact CB-CB 4.37Å; L103-P254 HydrophobicContact CB-CG 3.9Å; L103-C255 PolarHBondContact N-O 3.09Å; L103-F256 HydrophobicContact CB-CB 3.98Å; L103-F256 CarbonylContact O-C 3.49Å; L103-F256 WeakPolarHBondContact O-CA 3.27Å; L103-F256 WeakPolarHBondContact O-CB 3.28Å; L103-V257 PolarHBondContact O-N 3.45Å
104V98.3Very high96.4Very high3 Ų340.8 Ų40.82%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-105.4126.6172.7-172.50000108.4A68 L102 Y113 V116 A150 L151 V257 T259A68-V104 HydrophobicContact CB-CG2 3.77Å; L102-V104 HydrophobicContact CD2-CG2 3.69Å; L102-V104 HydrophobicContact CG-CG2 4.21Å; V104-Y113 HydrophobicContact CG1-CD2 4.23Å; V104-V116 HydrophobicContact CG1-CG1 4.21Å; V104-V116 HydrophobicContact CG2-CG1 4.44Å; V104-A150 WeakPolarHBondContact O-CA 3.28Å; V104-L151 HydrophobicContact CB-CD1 3.78Å; V104-L151 HydrophobicContact CB-CG 4.11Å; V104-L151 HydrophobicContact CG2-CD1 3.89Å; V104-L151 PolarHBondContact N-O 3.13Å; V104-L151 PolarHBondContact O-N 2.77Å; V104-V257 WeakPolarHBondContact CA-O 3.25Å; V104-T259 HydrophobicContact CG1-CG2 3.97Å
105M97.5Very high96.3Very high6 Ų641.7 Ų41.73%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-128.6149.5178.7-62.7175.6-71.100110.2L103 F135 L144 G149 A150 F256 V257 V258 T259L103-M105 HydrophobicContact CD1-CG 4.43Å; L103-M105 HydrophobicContact CD2-CE 3.79Å; L103-M105 HydrophobicContact CD2-CG 4.18Å; L103-M105 HydrophobicContact CD2-SD 3.68Å; L103-M105 HydrophobicContact CG-CE 4.28Å; L103-M105 HydrophobicContact CG-CG 3.95Å; L103-M105 HydrophobicContact CG-SD 4.14Å; M105-F135 HydrophobicContact CG-CE2 4.47Å; M105-F135 HydrophobicContact SD-CE2 3.91Å; M105-F135 HydrophobicContact SD-CZ 3.69Å; M105-L144 HydrophobicContact CB-CD1 4.23Å; M105-L144 HydrophobicContact CG-CD1 3.97Å; M105-L144 HydrophobicContact SD-CD1 3.89Å; M105-G149 WeakPolarHBondContact CA-O 3.47Å; M105-A150 HydrophobicContact CG-CB 4.09Å; M105-F256 HydrophobicContact CE-CB 4.26Å; M105-F256 HydrophobicContact CE-CD2 4.21Å; M105-F256 HydrophobicContact CE-CG 4.43Å; M105-V257 PolarHBondContact N-O 2.68Å; M105-V258 HydrophobicContact CB-CG2 4.39Å; M105-V258 HydrophobicContact CE-CG2 3.78Å; M105-V258 CarbonylContact O-C 3.59Å; M105-V258 VanDerWaalsContact O-CA 3.24Å; M105-V258 WeakPolarHBondContact O-CA 3.26Å; M105-T259 PolarHBondContact O-N 2.84Å; M105-T259 PolarHBondContact O-OG1 3.28Å
106G95.8Very high96.3Very high0 Ų038.3 Ų38.30%021%0.214CC..EExtended strand (participates in β ladder)trans169.7176.9175.600000111.5E108 H148 G149G106-E108 PolarHBondContact O-N 3.17Å; G106-H148 CarbonylContact O-C 3.47Å; G106-H148 WeakPolarHBondContact O-CA 3.42Å; G106-H148 VanDerWaalsContact O-CB 3.32Å; G106-H148 WeakPolarHBondContact O-CB 3.47Å; G106-G149 PolarHBondContact N-O 3.24Å; G106-G149 PolarHBondContact O-N 3.02Å
107P94.8Very high96.3Very high29 Ų2940.4 Ų40.419%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-54.4125.3180-23.933.9000111.5T109 S110P107-T109 PolarHBondContact O-N 3.37Å; P107-S110 WeakPolarHBondContact CB-OG 3.47Å
108E93.6Very high96.3Very high70 Ų7042.8 Ų42.833%0.32724%0.239SC..THydrogen-bonded Turntrans-63.8-30.3-172.8-177.672.7-146.600112G106 Y113 K117 G147 G149G106-E108 PolarHBondContact O-N 3.17Å; E108-Y113 VanDerWaalsContact OE2-CE1 3.29Å; E108-Y113 WeakPolarHBondContact OE2-CE1 3.43Å; E108-Y113 PolarHBondContact OE2-OH 3.45Å; E108-K117 IonicContact OE1-NZ 3.11Å; E108-K117 PolarHBondContact OE1-NZ 3.01Å; E108-G147 PolarHBondContact N-O 3.45Å; E108-G149 WeakPolarHBondContact OE2-CA 3.32Å
109T93.4Very high96.3Very high132 Ų13238.7 Ų38.781%0.8123%0.225SC*.THydrogen-bonded Turntrans-110.5-1-17158.30000114.4P107P107-T109 PolarHBondContact O-N 3.37Å
110S91.6Very high96.4Very high65 Ų6533.1 Ų33.146%0.45520%0.199SC..SBendtrans-152.7168.2-176.2680000113P107 P114P107-S110 WeakPolarHBondContact CB-OG 3.47Å; S110-P114 WeakPolarHBondContact O-CD 3.4Å
111G90.9Very high96.4Very high48 Ų4836.5 Ų36.550%0.49522%0.216SC..SBendtrans65.4-153.9-17800000112.8P114G111-P114 WeakPolarHBondContact O-CD 3.43Å; G111-P114 WeakPolarHBondContact O-CG 3.23Å
112D94.8Very high96.4Very high43 Ų4343 Ų4323%0.2324%0.243CC..Hα-helixtrans-84.1-21.2-166-50.3-25.1000113.3E70 L115 V116 T259 H267E70-D112 HydrophobicContact CG-CB 3.79Å; E70-D112 WeakPolarHBondContact OE1-CB 3.36Å; E70-D112 VanDerWaalsContact OE1-CG 3.23Å; D112-L115 WeakPolarHBondContact O-CB 3.36Å; D112-L115 PolarHBondContact O-N 3.15Å; D112-L115 VanDerWaalsContact O-N 3.13Å; D112-V116 WeakPolarHBondContact O-CG2 3.5Å; D112-V116 PolarHBondContact O-N 3.18Å; D112-T259 HydrophobicContact CB-CG2 4.3Å; D112-H267 IonicContact OD2-CD2 2.7Å; D112-H267 IonicContact OD2-CE1 2.68Å; D112-H267 IonicContact OD2-NE2 2.78Å; D112-H267 PolarHBondContact OD2-NE2 3.32Å
113Y96.4Very high96.4Very high0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-54.2-52.6-179.2173.2-93.6000113.6V104 E108 L115 V116 K117 G149 A150 L151 T259V104-Y113 HydrophobicContact CG1-CD2 4.23Å; E108-Y113 VanDerWaalsContact OE2-CE1 3.29Å; E108-Y113 WeakPolarHBondContact OE2-CE1 3.43Å; E108-Y113 PolarHBondContact OE2-OH 3.45Å; Y113-L115 VanDerWaalsContact C-N 3.26Å; Y113-L115 PolarHBondContact O-N 2.88Å; Y113-V116 PolarHBondContact O-N 3.32Å; Y113-K117 HydrophobicContact CE1-CD 4.23Å; Y113-K117 WeakPolarHBondContact O-CB 3.21Å; Y113-K117 PolarHBondContact O-N 2.86Å; Y113-G149 VanDerWaalsContact CZ-C 3.49Å; Y113-A150 PolarHBondContact OH-N 2.96Å; Y113-A150 PolarHBondContact OH-O 3.04Å; Y113-L151 HydrophobicContact CE2-CD2 4Å; Y113-L151 HydrophobicContact CE2-CG 4.04Å; Y113-T259 WeakPolarHBondContact CB-OG1 3.42Å; Y113-T259 PolarHBondContact N-OG1 3.44Å
114P96.9Very high96.3Very high29 Ų2953.4 Ų53.419%0.18829%0.29CS..Hα-helixtrans-63-32.4177.623.8-34.5000112.8S110 G111 N118S110-P114 WeakPolarHBondContact O-CD 3.4Å; G111-P114 WeakPolarHBondContact O-CD 3.43Å; G111-P114 WeakPolarHBondContact O-CG 3.23Å; P114-N118 WeakPolarHBondContact O-CB 3.39Å; P114-N118 PolarHBondContact O-N 2.96Å; P114-N118 PolarHBondContact O-ND2 3.35Å
115L97.8Very high96.3Very high84 Ų8453.6 Ų53.644%0.4429%0.291SS..Hα-helixtrans-66.3-48.2175.8-58.5179.5000111E70 D112 Y113 K117 N118 T119E70-L115 HydrophobicContact CB-CB 4.09Å; E70-L115 HydrophobicContact CG-CB 3.99Å; E70-L115 HydrophobicContact CG-CD1 4.44Å; D112-L115 WeakPolarHBondContact O-CB 3.36Å; D112-L115 PolarHBondContact O-N 3.15Å; D112-L115 VanDerWaalsContact O-N 3.13Å; Y113-L115 VanDerWaalsContact C-N 3.26Å; Y113-L115 PolarHBondContact O-N 2.88Å; L115-K117 VanDerWaalsContact C-N 3.35Å; L115-K117 PolarHBondContact O-N 2.81Å; L115-N118 PolarHBondContact O-N 2.81Å; L115-T119 WeakPolarHBondContact O-CB 3.2Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 PolarHBondContact O-OG1 3.25Å; L115-T119 VanDerWaalsContact O-OG1 3.14Å
116V98.1Very high96.3Very high5 Ų556.7 Ų56.73%0.0331%0.311CS..Hα-helixtrans-58.8-46.1175.4174.20000111A68 E70 V104 D112 Y113 N118 T119 L120A68-V116 HydrophobicContact CB-CG1 3.75Å; E70-V116 HydrophobicContact CG-CG2 3.73Å; V104-V116 HydrophobicContact CG1-CG1 4.21Å; V104-V116 HydrophobicContact CG2-CG1 4.44Å; D112-V116 WeakPolarHBondContact O-CG2 3.5Å; D112-V116 PolarHBondContact O-N 3.18Å; Y113-V116 PolarHBondContact O-N 3.32Å; V116-N118 PolarHBondContact O-N 3.09Å; V116-T119 PolarHBondContact O-N 3.41Å; V116-L120 HydrophobicContact CG1-CD1 4Å; V116-L120 HydrophobicContact CG1-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CB 3.17Å; V116-L120 WeakPolarHBondContact O-CG 3.21Å; V116-L120 PolarHBondContact O-N 3.38Å
117K97.8Very high96.4Very high45 Ų4558.4 Ų58.420%0.19632%0.322CS..Hα-helixtrans-56.8-50.2177.2-176.4-178-177-177.10111.1E108 Y113 L115 T119 L120 L121 L151E108-K117 IonicContact OE1-NZ 3.11Å; E108-K117 PolarHBondContact OE1-NZ 3.01Å; Y113-K117 HydrophobicContact CE1-CD 4.23Å; Y113-K117 WeakPolarHBondContact O-CB 3.21Å; Y113-K117 PolarHBondContact O-N 2.86Å; L115-K117 VanDerWaalsContact C-N 3.35Å; L115-K117 PolarHBondContact O-N 2.81Å; K117-T119 PolarHBondContact O-N 3.49Å; K117-L120 PolarHBondContact O-N 3.11Å; K117-L121 HydrophobicContact CG-CD1 4.28Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.47Å; K117-L121 PolarHBondContact O-N 3.19Å; K117-L121 VanDerWaalsContact O-N 3.09Å; K117-L151 HydrophobicContact CB-CD2 3.55Å; K117-L151 HydrophobicContact CG-CD2 3.79Å
118N98Very high96.5Very high98 Ų9860.1 Ų60.152%0.52433%0.332SS..Hα-helixtrans-63.1-43.6-179.9-71.6-20000111.8P114 L115 V116 L121 K122P114-N118 WeakPolarHBondContact O-CB 3.39Å; P114-N118 PolarHBondContact O-N 2.96Å; P114-N118 PolarHBondContact O-ND2 3.35Å; L115-N118 PolarHBondContact O-N 2.81Å; V116-N118 PolarHBondContact O-N 3.09Å; N118-L121 PolarHBondContact O-N 2.75Å; N118-K122 WeakPolarHBondContact O-CB 3.35Å; N118-K122 PolarHBondContact O-N 3.11Å
119T98.3Very high96.6Very high12 Ų1260.7 Ų60.77%0.07434%0.336CS..Hα-helixtrans-65.3-41.2179.2-660000112Y69 E70 T75 L115 V116 K117 N123Y69-T119 WeakPolarHBondContact O-CB 3.41Å; Y69-T119 WeakPolarHBondContact O-CG2 3.42Å; E70-T119 PolarHBondContact O-OG1 3.13Å; T75-T119 WeakPolarHBondContact OG1-CG2 3.48Å; L115-T119 WeakPolarHBondContact O-CB 3.2Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 PolarHBondContact O-OG1 3.25Å; L115-T119 VanDerWaalsContact O-OG1 3.14Å; V116-T119 PolarHBondContact O-N 3.41Å; K117-T119 PolarHBondContact O-N 3.49Å; T119-N123 WeakPolarHBondContact O-CB 3.49Å; T119-N123 PolarHBondContact O-N 2.88Å; T119-N123 PolarHBondContact O-ND2 3.15Å
120L98.2Very high96.6Very high0 Ų054.9 Ų54.90%030%0.3CS..Hα-helixtrans-60.4-48174.3-77173000112.2A68 V116 K117 N123 K124 V125 T127 L151A68-L120 HydrophobicContact CB-CD1 3.83Å; A68-L120 HydrophobicContact CB-CD2 4.05Å; A68-L120 HydrophobicContact CB-CG 4.22Å; V116-L120 HydrophobicContact CG1-CD1 4Å; V116-L120 HydrophobicContact CG1-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CB 3.17Å; V116-L120 WeakPolarHBondContact O-CG 3.21Å; V116-L120 PolarHBondContact O-N 3.38Å; K117-L120 PolarHBondContact O-N 3.11Å; L120-N123 CarbonylContact O-C 3.59Å; L120-N123 PolarHBondContact O-N 3.42Å; L120-K124 PolarHBondContact O-N 3.37Å; L120-K124 VanDerWaalsContact O-N 3.1Å; L120-V125 HydrophobicContact CB-CB 4.41Å; L120-V125 HydrophobicContact CD2-CB 3.53Å; L120-V125 HydrophobicContact CD2-CG1 3.59Å; L120-V125 HydrophobicContact CD2-CG2 3.72Å; L120-V125 PolarHBondContact O-N 2.86Å; L120-T127 HydrophobicContact CD1-CG2 4.25Å; L120-L151 HydrophobicContact CD1-CD1 3.37Å; L120-L151 HydrophobicContact CD1-CD2 4.19Å; L120-L151 HydrophobicContact CD1-CG 4.46Å
121L97.7Very high96.3Very high92 Ų9254.4 Ų54.448%0.48230%0.297SS..Hα-helixtrans-64.2-45.9179.1-67.2175.5000111.5K117 N118 N123 K124K117-L121 HydrophobicContact CG-CD1 4.28Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.47Å; K117-L121 PolarHBondContact O-N 3.19Å; K117-L121 VanDerWaalsContact O-N 3.09Å; N118-L121 PolarHBondContact O-N 2.75Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 2.7Å; L121-K124 PolarHBondContact O-N 3.13Å
122K98Very high96Very high141 Ų14158.5 Ų58.561%0.61330%0.297SS*.Hα-helixtrans-58.5-44.4177179.1-177171.9-169.90111.9D72 N118 K124D72-K122 IonicContact OD1-NZ 3.63Å; D72-K122 IonicContact OD2-NZ 3.57Å; D72-K122 PolarHBondContact OD2-NZ 3.12Å; N118-K122 WeakPolarHBondContact O-CB 3.35Å; N118-K122 PolarHBondContact O-N 3.11Å; K122-K124 PolarHBondContact O-N 3.45Å
123N97.4Very high95.5Very high31 Ų3163.3 Ų63.317%0.16632%0.323CS..THydrogen-bonded Turntrans-84.38.6178.6-69.6-83.7000113.5D72 T75 Q76 T119 L120 L121 V125D72-N123 PolarHBondContact OD1-ND2 3.11Å; T75-N123 HydrophobicContact CG2-CB 3.67Å; Q76-N123 WeakPolarHBondContact CG-OD1 3.23Å; Q76-N123 PolarHBondContact NE2-OD1 3.19Å; T119-N123 WeakPolarHBondContact O-CB 3.49Å; T119-N123 PolarHBondContact O-N 2.88Å; T119-N123 PolarHBondContact O-ND2 3.15Å; L120-N123 CarbonylContact O-C 3.59Å; L120-N123 PolarHBondContact O-N 3.42Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 2.7Å; N123-V125 HydrophobicContact CB-CG2 4.11Å; N123-V125 PolarHBondContact O-N 3.47Å; N123-V125 VanDerWaalsContact O-N 3.16Å
124K97.4Very high95.1Very high188 Ų18865.4 Ų65.482%0.81733%0.334SS*.THydrogen-bonded Turntrans52.237.8177.6-55.6178-178.6177.70112.7L120 L121 K122L120-K124 PolarHBondContact O-N 3.37Å; L120-K124 VanDerWaalsContact O-N 3.1Å; L121-K124 PolarHBondContact O-N 3.13Å; K122-K124 PolarHBondContact O-N 3.45Å
125V97.8Very high95Very high7 Ų764 Ų644%0.04233%0.325CS..  trans-72.1132.5175.4-177.70000108.5R67 T75 L120 N123 T127R67-V125 HydrophobicContact CB-CG1 3.95Å; R67-V125 HydrophobicContact CB-CG2 4.22Å; T75-V125 HydrophobicContact CG2-CG2 3.69Å; L120-V125 HydrophobicContact CB-CB 4.41Å; L120-V125 HydrophobicContact CD2-CB 3.53Å; L120-V125 HydrophobicContact CD2-CG1 3.59Å; L120-V125 HydrophobicContact CD2-CG2 3.72Å; L120-V125 PolarHBondContact O-N 2.86Å; N123-V125 HydrophobicContact CB-CG2 4.11Å; N123-V125 PolarHBondContact O-N 3.47Å; N123-V125 VanDerWaalsContact O-N 3.16Å; V125-T127 WeakPolarHBondContact O-CB 3.29Å; V125-T127 PolarHBondContact O-N 2.93Å; V125-T127 PolarHBondContact O-OG1 2.97Å
126P97.1Very high94.7Very high71 Ų7165.5 Ų65.546%0.46133%0.33SS..  trans-54.7108.9173.5-26.135.4000111.4V154 T155P126-V154 HydrophobicContact CB-CB 4.33Å; P126-V154 PolarHBondContact O-N 2.67Å; P126-V154 VanDerWaalsContact O-N 3.12Å; P126-T155 HydrophobicContact CG-CG2 4.3Å
127T97.7Very high94.3Very high36 Ų3672.8 Ų72.822%0.22136%0.363CS..EExtended strand (participates in β ladder)trans-134.7138.4-169.7-56.10000110.2L120 V125 L151 L152L120-T127 HydrophobicContact CD1-CG2 4.25Å; V125-T127 WeakPolarHBondContact O-CB 3.29Å; V125-T127 PolarHBondContact O-N 2.93Å; V125-T127 PolarHBondContact O-OG1 2.97Å; T127-L151 HydrophobicContact CG2-CB 4.13Å; T127-L151 HydrophobicContact CG2-CD1 4.13Å; T127-L152 VanDerWaalsContact CA-O 3.28Å; T127-L152 WeakPolarHBondContact CA-O 3.25Å
128V96.9Very high93.9Very high65 Ų6575.8 Ų75.839%0.39438%0.378SS..EExtended strand (participates in β ladder)trans-112.8120.5171.2-178.10000108.5L130 L151 L152 V154V128-L130 HydrophobicContact CG1-CD2 3.98Å; V128-L151 CarbonylContact O-C 3.48Å; V128-L151 VanDerWaalsContact O-CA 3.29Å; V128-L151 WeakPolarHBondContact O-CA 3.46Å; V128-L152 HydrophobicContact CB-CB 4.24Å; V128-L152 PolarHBondContact N-O 2.51Å; V128-L152 PolarHBondContact O-N 3.17Å; V128-V154 HydrophobicContact CG2-CG2 3.96Å
129I96.4Very high93.8Very high83 Ų8371.7 Ų71.743%0.42636%0.356SS..EExtended strand (participates in β ladder)trans-85.6127.2173.4-59.9172.6000107.9
130L94.5Very high93.4Very high10 Ų1074.5 Ų74.55%0.05237%0.374CS..EExtended strand (participates in β ladder)trans-102.3119.3178.5-60.3177.1000108.6L103 V128 N134 F135 H138 I139 A150L103-L130 HydrophobicContact CD1-CD1 3.83Å; V128-L130 HydrophobicContact CG1-CD2 3.98Å; L130-N134 WeakPolarHBondContact CA-OD1 3.41Å; L130-F135 HydrophobicContact CB-CD2 4.22Å; L130-F135 HydrophobicContact CD1-CD2 4.06Å; L130-F135 HydrophobicContact CD1-CE2 4.45Å; L130-H138 HydrophobicContact CD1-CB 4.43Å; L130-H138 HydrophobicContact CD2-CB 4.1Å; L130-I139 HydrophobicContact CD1-CD1 4.5Å; L130-I139 HydrophobicContact CD1-CG1 3.98Å; L130-A150 HydrophobicContact CB-CB 4.07Å; L130-A150 PolarHBondContact N-O 2.78Å
131S85.1Confident93.1Very high55 Ų5578.9 Ų78.939%0.38540%0.398SS..PPolyproline II helixtrans-75.6160.4170.870.60000109.4D133 N134 F135S131-D133 PolarHBondContact O-N 2.83Å; S131-N134 PolarHBondContact N-OD1 2.91Å; S131-N134 PolarHBondContact O-N 3.02Å; S131-N134 PolarHBondContact O-OD1 3.12Å; S131-N134 VanDerWaalsContact OG-CG 3.31Å; S131-N134 PolarHBondContact OG-N 3.03Å; S131-N134 PolarHBondContact OG-ND2 3.43Å; S131-F135 WeakPolarHBondContact O-CB 3.42Å; S131-F135 PolarHBondContact O-N 2.85Å
132R83.7Confident93Very high134 Ų13474.8 Ų74.851%0.50638%0.377SS..Hα-helixtrans-53.8-41174.3-178.1175.1-73.1-157.50.4112N134 F135 G147R132-N134 VanDerWaalsContact C-N 3.32Å; R132-N134 PolarHBondContact O-N 2.88Å; R132-F135 PolarHBondContact O-N 2.83Å; R132-G147 VanDerWaalsContact NH2-N 3.11Å
133D83.7Confident92.9Very high143 Ų14371.1 Ų71.177%0.76537%0.366SS*.Hα-helixtrans-67.8-31.2-176.1-59.1-23.4000113S131S131-D133 PolarHBondContact O-N 2.83Å
134N88.6Confident92.8Very high44 Ų4470.6 Ų70.624%0.23536%0.363CS..Hα-helixtrans-100.8-9.8-179.57616.7000113.7L130 S131 R132 H136 Q137 H138L130-N134 WeakPolarHBondContact CA-OD1 3.41Å; S131-N134 PolarHBondContact N-OD1 2.91Å; S131-N134 PolarHBondContact O-N 3.02Å; S131-N134 PolarHBondContact O-OD1 3.12Å; S131-N134 VanDerWaalsContact OG-CG 3.31Å; S131-N134 PolarHBondContact OG-N 3.03Å; S131-N134 PolarHBondContact OG-ND2 3.43Å; R132-N134 VanDerWaalsContact C-N 3.32Å; R132-N134 PolarHBondContact O-N 2.88Å; N134-H136 PolarHBondContact O-N 3.37Å; N134-Q137 WeakPolarHBondContact O-CB 3.41Å; N134-Q137 PolarHBondContact O-N 3.47Å; N134-H138 PolarHBondContact O-N 2.48Å; N134-H138 PolarHBondContact O-ND1 3.35Å
135F94.3Very high92.5Very high1 Ų162.3 Ų62.30%0.00433%0.328CS..Hα-helixtrans-58.3-51.4-175.6-178.2-90.1000112.1L103 M105 L130 S131 R132 Q137 H138 I139 V142 L144 A150L103-F135 HydrophobicContact CD1-CE2 4.13Å; L103-F135 HydrophobicContact CD2-CE2 4.01Å; L103-F135 HydrophobicContact CD2-CZ 4.07Å; M105-F135 HydrophobicContact CG-CE2 4.47Å; M105-F135 HydrophobicContact SD-CE2 3.91Å; M105-F135 HydrophobicContact SD-CZ 3.69Å; L130-F135 HydrophobicContact CB-CD2 4.22Å; L130-F135 HydrophobicContact CD1-CD2 4.06Å; L130-F135 HydrophobicContact CD1-CE2 4.45Å; S131-F135 WeakPolarHBondContact O-CB 3.42Å; S131-F135 PolarHBondContact O-N 2.85Å; R132-F135 PolarHBondContact O-N 2.83Å; F135-Q137 PolarHBondContact O-N 3.47Å; F135-H138 PolarHBondContact O-N 3.47Å; F135-I139 HydrophobicContact CD2-CG1 4.47Å; F135-I139 HydrophobicContact CE1-CB 4.07Å; F135-I139 HydrophobicContact CE1-CG2 4.42Å; F135-I139 HydrophobicContact CE2-CB 4.29Å; F135-I139 HydrophobicContact CE2-CG1 4.1Å; F135-I139 HydrophobicContact CZ-CB 3.93Å; F135-I139 HydrophobicContact CZ-CG1 4.23Å; F135-I139 HydrophobicContact CZ-CG2 4.12Å; F135-I139 PolarHBondContact O-N 3.33Å; F135-V142 HydrophobicContact CE1-CB 4.2Å; F135-V142 HydrophobicContact CE1-CG1 4.13Å; F135-V142 HydrophobicContact CZ-CB 4.42Å; F135-V142 HydrophobicContact CZ-CG1 4.04Å; F135-L144 HydrophobicContact CB-CD2 4.39Å; F135-L144 HydrophobicContact CD1-CB 3.79Å; F135-L144 HydrophobicContact CD2-CB 4.46Å; F135-L144 HydrophobicContact CD2-CD2 4.04Å; F135-L144 HydrophobicContact CE1-CB 3.79Å; F135-L144 HydrophobicContact CE2-CB 4.43Å; F135-L144 HydrophobicContact CE2-CD1 4.26Å; F135-L144 HydrophobicContact CE2-CD2 4.47Å; F135-L144 HydrophobicContact CG-CB 4.15Å; F135-L144 HydrophobicContact CG-CD2 4.08Å; F135-L144 HydrophobicContact CZ-CB 4.12Å; F135-L144 HydrophobicContact CZ-CD1 4.43Å; F135-A150 HydrophobicContact CD2-CB 3.56Å; F135-A150 HydrophobicContact CE2-CB 3.6Å
136H91.4Very high92.2Very high115 Ų11569.9 Ų69.953%0.53236%0.364SS..Hα-helixtrans-64.1-25.8-178.7-68.6166.1000113.6N134N134-H136 PolarHBondContact O-N 3.37Å
137Q90Very high92Very high158 Ų15868.7 Ų68.774%0.73836%0.364SS*.Hα-helixtrans-72.7-33.8176-61.6178.6-200111.5N134 F135N134-Q137 WeakPolarHBondContact O-CB 3.41Å; N134-Q137 PolarHBondContact O-N 3.47Å; F135-Q137 PolarHBondContact O-N 3.47Å
138H90.6Very high91.9Very high108 Ų10868 Ų6850%0.536%0.358SS..Hα-helixtrans-90.4-38.9-178.3-68.384.4000112.8L130 N134 F135 P140L130-H138 HydrophobicContact CD1-CB 4.43Å; L130-H138 HydrophobicContact CD2-CB 4.1Å; N134-H138 PolarHBondContact O-N 2.48Å; N134-H138 PolarHBondContact O-ND1 3.35Å; F135-H138 PolarHBondContact O-N 3.47Å; H138-P140 VanDerWaalsContact C-CD 3.47Å; H138-P140 WeakPolarHBondContact O-CD 3.19Å
139I94.2Very high91.8Very high12 Ų1265 Ų656%0.06234%0.341CS..SBendtrans-12273.7-177.5-45.4-62.8000108.3L103 L130 F135 V142 F253 P254L103-I139 HydrophobicContact CD1-CG1 4.32Å; L103-I139 HydrophobicContact CD2-CD1 4.29Å; L103-I139 HydrophobicContact CD2-CG1 4Å; L103-I139 HydrophobicContact CD2-CG2 3.98Å; L130-I139 HydrophobicContact CD1-CD1 4.5Å; L130-I139 HydrophobicContact CD1-CG1 3.98Å; F135-I139 HydrophobicContact CD2-CG1 4.47Å; F135-I139 HydrophobicContact CE1-CB 4.07Å; F135-I139 HydrophobicContact CE1-CG2 4.42Å; F135-I139 HydrophobicContact CE2-CB 4.29Å; F135-I139 HydrophobicContact CE2-CG1 4.1Å; F135-I139 HydrophobicContact CZ-CB 3.93Å; F135-I139 HydrophobicContact CZ-CG1 4.23Å; F135-I139 HydrophobicContact CZ-CG2 4.12Å; F135-I139 PolarHBondContact O-N 3.33Å; I139-V142 HydrophobicContact CG2-CB 3.8Å; I139-V142 HydrophobicContact CG2-CG1 4.49Å; I139-V142 HydrophobicContact CG2-CG2 3.69Å; I139-F253 HydrophobicContact CG2-CE2 4.21Å; I139-P254 HydrophobicContact CD1-CG 3.97Å
140P91.5Very high91.9Very high70 Ų7061.1 Ų61.146%0.45532%0.321SS..THydrogen-bonded Turntrans-64.2153.4179.128.6-35.5000110.8H138 V142H138-P140 VanDerWaalsContact C-CD 3.47Å; H138-P140 WeakPolarHBondContact O-CD 3.19Å; P140-V142 PolarHBondContact O-N 2.82Å
141N90.4Very high92Very high93 Ų9360.7 Ų60.750%0.49732%0.318SS..THydrogen-bonded Turntrans63.517.7176.8-47.5-55.5000115.5T246 Y247N141-T246 HydrophobicContact CB-CG2 4.17Å; N141-T246 WeakPolarHBondContact ND2-CG2 3.36Å; N141-Y247 HydrophobicContact CB-CE1 3.87Å; N141-Y247 WeakPolarHBondContact CB-OH 3.35Å; N141-Y247 PolarHBondContact O-OH 2.88Å
142V96Very high92.7Very high6 Ų659.9 Ų59.94%0.03631%0.31CS..  trans-120.1134.1166.8179.10000108.1F135 I139 P140 Y247 F253 C314F135-V142 HydrophobicContact CE1-CB 4.2Å; F135-V142 HydrophobicContact CE1-CG1 4.13Å; F135-V142 HydrophobicContact CZ-CB 4.42Å; F135-V142 HydrophobicContact CZ-CG1 4.04Å; I139-V142 HydrophobicContact CG2-CB 3.8Å; I139-V142 HydrophobicContact CG2-CG1 4.49Å; I139-V142 HydrophobicContact CG2-CG2 3.69Å; P140-V142 PolarHBondContact O-N 2.82Å; V142-Y247 HydrophobicContact CG2-CE1 4.29Å; V142-F253 HydrophobicContact CG2-CE2 3.65Å; V142-F253 HydrophobicContact CG2-CZ 3.88Å; V142-C314 WeakPolarHBondContact CA-O 3.28Å
143V95.4Very high93.3Very high64 Ų6453.5 Ų53.539%0.38829%0.286SS..PPolyproline II helixtrans-97.5116.3176.4-178.30000108.4C314 P316V143-C314 PolarHBondContact N-O 3.49Å; V143-P316 HydrophobicContact CG2-CG 4.3Å
144L95.2Very high94Very high19 Ų1949.1 Ų49.110%0.09926%0.264CS..PPolyproline II helixtrans-76.4122.7171.5-175.564000109.5M105 F135 H148 A150M105-L144 HydrophobicContact CB-CD1 4.23Å; M105-L144 HydrophobicContact CG-CD1 3.97Å; M105-L144 HydrophobicContact SD-CD1 3.89Å; F135-L144 HydrophobicContact CB-CD2 4.39Å; F135-L144 HydrophobicContact CD1-CB 3.79Å; F135-L144 HydrophobicContact CD2-CB 4.46Å; F135-L144 HydrophobicContact CD2-CD2 4.04Å; F135-L144 HydrophobicContact CE1-CB 3.79Å; F135-L144 HydrophobicContact CE2-CB 4.43Å; F135-L144 HydrophobicContact CE2-CD1 4.26Å; F135-L144 HydrophobicContact CE2-CD2 4.47Å; F135-L144 HydrophobicContact CG-CB 4.15Å; F135-L144 HydrophobicContact CG-CD2 4.08Å; F135-L144 HydrophobicContact CZ-CB 4.12Å; F135-L144 HydrophobicContact CZ-CD1 4.43Å; L144-H148 HydrophobicContact CD1-CB 3.8Å; L144-H148 HydrophobicContact CG-CB 4.22Å; L144-A150 HydrophobicContact CD1-CB 4.23Å; L144-A150 HydrophobicContact CD2-CB 4.24Å
145S93.1Very high94.4Very high14 Ų1448.2 Ų48.210%0.09826%0.26CS..PPolyproline II helixtrans-60.5152.6-179.7-61.80000112.6H148S145-H148 WeakPolarHBondContact O-CB 3.45Å; S145-H148 PolarHBondContact O-N 2.86Å; S145-H148 VanDerWaalsContact O-N 3.15Å
146E91.3Very high94.6Very high167 Ų16748.2 Ų48.278%0.7826%0.26SS*.THydrogen-bonded Turntrans-61.3141.2175.8-167.9172.8-169.500111.6H148E146-H148 PolarHBondContact O-CD2 3.41Å; E146-H148 PolarHBondContact O-N 3.48Å
147G92.3Very high94.9Very high46 Ų4642.7 Ų42.747%0.47424%0.235SC..THydrogen-bonded Turntrans73.2-5.1-175.400000115.2E108 R132E108-G147 PolarHBondContact N-O 3.45Å; R132-G147 VanDerWaalsContact NH2-N 3.11Å
148H94.9Very high95.4Very high21 Ų2135.3 Ų35.310%0.09720%0.2CC..EExtended strand (participates in β ladder)trans-86.4145.4178.6-72.2-152.3000112.8G106 L144 S145 E146 G260G106-H148 CarbonylContact O-C 3.47Å; G106-H148 WeakPolarHBondContact O-CA 3.42Å; G106-H148 VanDerWaalsContact O-CB 3.32Å; G106-H148 WeakPolarHBondContact O-CB 3.47Å; L144-H148 HydrophobicContact CD1-CB 3.8Å; L144-H148 HydrophobicContact CG-CB 4.22Å; S145-H148 WeakPolarHBondContact O-CB 3.45Å; S145-H148 PolarHBondContact O-N 2.86Å; S145-H148 VanDerWaalsContact O-N 3.15Å; E146-H148 PolarHBondContact O-CD2 3.41Å; E146-H148 PolarHBondContact O-N 3.48Å; H148-G260 PolarHBondContact CE1-O 2.97Å
149G95.6Very high95.7Very high3 Ų330.1 Ų30.13%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-92.5164.6163.400000113M105 G106 E108 Y113M105-G149 WeakPolarHBondContact CA-O 3.47Å; G106-G149 PolarHBondContact N-O 3.24Å; G106-G149 PolarHBondContact O-N 3.02Å; E108-G149 WeakPolarHBondContact OE2-CA 3.32Å; Y113-G149 VanDerWaalsContact CZ-C 3.49Å
150A97.7Very high95.9Very high0 Ų029.8 Ų29.80%017%0.174CC..EExtended strand (participates in β ladder)trans-140.9138.4171.300000111.9L103 V104 M105 Y113 L130 F135 L144L103-A150 HydrophobicContact CD1-CB 4.28Å; V104-A150 WeakPolarHBondContact O-CA 3.28Å; M105-A150 HydrophobicContact CG-CB 4.09Å; Y113-A150 PolarHBondContact OH-N 2.96Å; Y113-A150 PolarHBondContact OH-O 3.04Å; L130-A150 HydrophobicContact CB-CB 4.07Å; L130-A150 PolarHBondContact N-O 2.78Å; F135-A150 HydrophobicContact CD2-CB 3.56Å; F135-A150 HydrophobicContact CE2-CB 3.6Å; L144-A150 HydrophobicContact CD1-CB 4.23Å; L144-A150 HydrophobicContact CD2-CB 4.24Å
151L97.8Very high96.2Very high1 Ų126.5 Ų26.51%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-140.1155.2169.464.681.9000110.6L103 V104 Y113 K117 L120 T127 V128L103-L151 CarbonylContact C-O 3.47Å; L103-L151 WeakPolarHBondContact CA-O 3.37Å; V104-L151 HydrophobicContact CB-CD1 3.78Å; V104-L151 HydrophobicContact CB-CG 4.11Å; V104-L151 HydrophobicContact CG2-CD1 3.89Å; V104-L151 PolarHBondContact N-O 3.13Å; V104-L151 PolarHBondContact O-N 2.77Å; Y113-L151 HydrophobicContact CE2-CD2 4Å; Y113-L151 HydrophobicContact CE2-CG 4.04Å; K117-L151 HydrophobicContact CB-CD2 3.55Å; K117-L151 HydrophobicContact CG-CD2 3.79Å; L120-L151 HydrophobicContact CD1-CD1 3.37Å; L120-L151 HydrophobicContact CD1-CD2 4.19Å; L120-L151 HydrophobicContact CD1-CG 4.46Å; T127-L151 HydrophobicContact CG2-CB 4.13Å; T127-L151 HydrophobicContact CG2-CD1 4.13Å; V128-L151 CarbonylContact O-C 3.48Å; V128-L151 VanDerWaalsContact O-CA 3.29Å; V128-L151 WeakPolarHBondContact O-CA 3.46Å
152L98.2Very high96.5Very high38 Ų3825.6 Ų25.620%0.19915%0.148CC..EExtended strand (participates in β ladder)trans-113.7114.9176.5-173.176.9000109.4L102 L103 T127 V128 V154 P254L102-L152 WeakPolarHBondContact O-CA 3.02Å; L103-L152 HydrophobicContact CB-CD1 4.31Å; T127-L152 VanDerWaalsContact CA-O 3.28Å; T127-L152 WeakPolarHBondContact CA-O 3.25Å; V128-L152 HydrophobicContact CB-CB 4.24Å; V128-L152 PolarHBondContact N-O 2.51Å; V128-L152 PolarHBondContact O-N 3.17Å; L152-V154 HydrophobicContact CD2-CG2 4.37Å; L152-V154 PolarHBondContact O-N 3.02Å; L152-P254 HydrophobicContact CD1-CB 4.15Å
153D98.3Very high96.6Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-74.3105159.9170.16.2000107.7R67 A68 G101 L102 T155 G156R67-D153 WeakPolarHBondContact CA-OD2 3.25Å; R67-D153 PolarHBondContact N-OD2 2.76Å; A68-D153 HydrophobicContact CB-CB 3.99Å; A68-D153 PolarHBondContact N-OD2 2.85Å; G101-D153 WeakPolarHBondContact CA-O 3.48Å; L102-D153 HydrophobicContact CB-CB 4.33Å; L102-D153 PolarHBondContact N-O 3.32Å; L102-D153 PolarHBondContact O-N 3.22Å; D153-T155 PolarHBondContact O-N 3.28Å; D153-T155 WeakPolarHBondContact OD1-CA 3.32Å; D153-T155 WeakPolarHBondContact OD1-CB 3.35Å; D153-T155 PolarHBondContact OD1-N 3.14Å; D153-T155 PolarHBondContact OD1-OG1 2.9Å; D153-G156 PolarHBondContact O-N 3.44Å; D153-G156 PolarHBondContact OD1-N 2.78Å
154V97.8Very high96.7Very high52 Ų5228.3 Ų28.332%0.31515%0.151SC..THydrogen-bonded Turntrans-65.6-24.8-174.6-179.10000111Q99 P126 V128 L152 G156Q99-V154 WeakPolarHBondContact CG-O 3.03Å; Q99-V154 PolarHBondContact NE2-O 3.46Å; P126-V154 HydrophobicContact CB-CB 4.33Å; P126-V154 PolarHBondContact O-N 2.67Å; P126-V154 VanDerWaalsContact O-N 3.12Å; V128-V154 HydrophobicContact CG2-CG2 3.96Å; L152-V154 HydrophobicContact CD2-CG2 4.37Å; L152-V154 PolarHBondContact O-N 3.02Å; V154-G156 VanDerWaalsContact C-N 3.3Å
155T97.4Very high96.9Very high25 Ų2528.4 Ų28.415%0.15315%0.151CC..THydrogen-bonded Turntrans-82.1-10.4178.871.80000112.7R67 Y82 Y97 P126 D153R67-T155 VanDerWaalsContact CD-OG1 3.31Å; R67-T155 WeakPolarHBondContact CD-OG1 3.43Å; R67-T155 WeakPolarHBondContact CG-OG1 3.36Å; Y82-T155 WeakPolarHBondContact CE1-O 3.47Å; Y82-T155 PolarHBondContact OH-O 2.97Å; Y97-T155 PolarHBondContact OH-O 2.9Å; P126-T155 HydrophobicContact CG-CG2 4.3Å; D153-T155 PolarHBondContact O-N 3.28Å; D153-T155 WeakPolarHBondContact OD1-CA 3.32Å; D153-T155 WeakPolarHBondContact OD1-CB 3.35Å; D153-T155 PolarHBondContact OD1-N 3.14Å; D153-T155 PolarHBondContact OD1-OG1 2.9Å
156G98.3Very high97.1Very high0 Ų033.1 Ų33.10%017%0.17CC..  trans-68.4164.6179.600000113.4I65 T100 G101 D153 V154I65-G156 CarbonylContact O-C 3.2Å; I65-G156 VanDerWaalsContact O-CA 3.26Å; I65-G156 WeakPolarHBondContact O-CA 3.45Å; T100-G156 PolarHBondContact N-O 2.83Å; G101-G156 CarbonylContact C-O 3.56Å; G101-G156 WeakPolarHBondContact CA-O 3.27Å; G101-G156 PolarHBondContact N-O 3.02Å; D153-G156 PolarHBondContact O-N 3.44Å; D153-G156 PolarHBondContact OD1-N 2.78Å; V154-G156 VanDerWaalsContact C-N 3.3Å
157G98.1Very high97.5Very high0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans166-142.8165.300000115.2I64 I65 T100 C255I64-G157 WeakPolarHBondContact CA-O 3.39Å; I65-G157 PolarHBondContact N-O 2.89Å; I65-G157 PolarHBondContact O-N 3.33Å; T100-G157 WeakPolarHBondContact OG1-CA 3.41Å; G157-C255 PolarHBondContact O-SG 2.78Å; G157-C255 VanDerWaalsContact O-SG 3.35Å
158V98.4Very high97.8Very high2 Ų223.2 Ų23.21%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-105.8126.1-173.4-179.50000109.7T62 R98 T100 F160 C255 L271 P272T62-V158 HydrophobicContact CG2-CG1 3.53Å; R98-V158 HydrophobicContact CB-CB 4.4Å; R98-V158 PolarHBondContact N-O 3.23Å; R98-V158 PolarHBondContact O-N 2.89Å; T100-V158 HydrophobicContact CG2-CG2 3.93Å; V158-F160 HydrophobicContact CG1-CD1 4.43Å; V158-F160 HydrophobicContact CG1-CE1 4.19Å; V158-C255 WeakPolarHBondContact CG2-SG 3.24Å; V158-L271 HydrophobicContact CG2-CD2 4.33Å; V158-P272 HydrophobicContact CG2-CG 4.13Å
159L98.3Very high98Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-96.7133.7160.3-76.9170.4000109.7T62 R63 I65 W85 L96 A161 F360 K361T62-L159 CarbonylContact C-O 3.44Å; T62-L159 WeakPolarHBondContact CA-O 3.37Å; T62-L159 WeakPolarHBondContact CB-O 3.22Å; R63-L159 PolarHBondContact N-O 2.72Å; R63-L159 PolarHBondContact O-N 2.9Å; I65-L159 HydrophobicContact CB-CD1 3.69Å; I65-L159 HydrophobicContact CB-CG 3.7Å; I65-L159 HydrophobicContact CD1-CD1 4.01Å; I65-L159 HydrophobicContact CD1-CD2 4.15Å; I65-L159 HydrophobicContact CD1-CG 4.15Å; I65-L159 HydrophobicContact CG1-CD1 4.12Å; I65-L159 HydrophobicContact CG1-CG 4.41Å; I65-L159 HydrophobicContact CG2-CD1 4.43Å; I65-L159 HydrophobicContact CG2-CG 3.89Å; W85-L159 HydrophobicContact CD2-CD2 4.02Å; W85-L159 HydrophobicContact CE3-CD2 4.32Å; W85-L159 HydrophobicContact CG-CD2 4.32Å; W85-L159 HydrophobicContact CZ2-CD1 3.85Å; L96-L159 WeakPolarHBondContact O-CA 3.39Å; L159-A161 PolarHBondContact O-N 3.32Å; L159-F360 HydrophobicContact CD1-CD1 4.25Å; L159-F360 HydrophobicContact CD1-CE1 4.45Å; L159-K361 HydrophobicContact CD1-CB 4.15Å
160F98.3Very high98.1Very high5 Ų525.1 Ų25.12%0.02212%0.122CC..EExtended strand (participates in β ladder)trans-81.195.9170.9-57.1-63.5000109.1Q61 T62 T95 L96 R98 V158 R163 A164Q61-F160 CarbonylContact O-C 3.59Å; Q61-F160 WeakPolarHBondContact O-CA 3.34Å; T62-F160 HydrophobicContact CG2-CD1 4.1Å; T95-F160 HydrophobicContact CG2-CE2 4.24Å; L96-F160 WeakPolarHBondContact O-CD2 3.49Å; L96-F160 PolarHBondContact O-N 3.02Å; R98-F160 HydrophobicContact CB-CE2 4.23Å; R98-F160 HydrophobicContact CB-CZ 4.07Å; V158-F160 HydrophobicContact CG1-CD1 4.43Å; V158-F160 HydrophobicContact CG1-CE1 4.19Å; F160-R163 HydrophobicContact CB-CB 3.96Å; F160-R163 HydrophobicContact CB-CG 4Å; F160-R163 PolarHBondContact O-N 3.27Å; F160-A164 WeakPolarHBondContact O-CB 3.3Å; F160-A164 PolarHBondContact O-N 3.48Å
161A97.8Very high98.2Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-71.6-41.5-163.800000113.3Q61 R63 L159 A164 L165 F360Q61-A161 PolarHBondContact O-N 3.09Å; R63-A161 HydrophobicContact CG-CB 3.89Å; L159-A161 PolarHBondContact O-N 3.32Å; A161-A164 PolarHBondContact O-N 3.01Å; A161-L165 WeakPolarHBondContact O-CB 3.25Å; A161-L165 PolarHBondContact O-N 3.01Å; A161-F360 VanDerWaalsContact CA-CZ 3.44Å; A161-F360 HydrophobicContact CB-CE1 3.87Å; A161-F360 HydrophobicContact CB-CE2 3.78Å; A161-F360 HydrophobicContact CB-CZ 3.42Å; A161-F360 VanDerWaalsContact CB-CZ 3.42Å
162D96.2Very high98.3Very high75 Ų7526 Ų2640%0.40113%0.126SC..Hα-helixtrans-62.4-46173.757.2-11.3000111.9L165 K166D162-L165 PolarHBondContact O-N 3.5Å; D162-K166 WeakPolarHBondContact O-CB 3.24Å; D162-K166 PolarHBondContact O-N 3.21Å
163R98.1Very high98.3Very high126 Ų12629 Ų2948%0.47514%0.139SC..Hα-helixtrans-63.3-43.6175.7-60.2-175.6-165.5-178.1-1.1111.6L96 F160 K166 A167L96-R163 HydrophobicContact CD2-CB 3.85Å; F160-R163 HydrophobicContact CB-CB 3.96Å; F160-R163 HydrophobicContact CB-CG 4Å; F160-R163 PolarHBondContact O-N 3.27Å; R163-K166 PolarHBondContact O-N 3.01Å; R163-A167 WeakPolarHBondContact O-CB 3.43Å; R163-A167 PolarHBondContact O-N 2.82Å
164A98.6Very high98.3Very high0 Ų035.9 Ų35.90%017%0.169CC..Hα-helixtrans-60.7-46.4178.100000111.5W85 L96 F160 A161 A167 V168 F360W85-A164 HydrophobicContact CH2-CB 3.79Å; W85-A164 HydrophobicContact CZ3-CB 3.54Å; L96-A164 HydrophobicContact CD2-CB 4.25Å; F160-A164 WeakPolarHBondContact O-CB 3.3Å; F160-A164 PolarHBondContact O-N 3.48Å; A161-A164 PolarHBondContact O-N 3.01Å; A164-A167 PolarHBondContact O-N 3.36Å; A164-V168 WeakPolarHBondContact O-CG1 3.32Å; A164-V168 PolarHBondContact O-N 2.89Å; A164-F360 HydrophobicContact CB-CE1 4.34Å; A164-F360 HydrophobicContact CB-CZ 4.23Å
165L98.3Very high98.3Very high21 Ų2137.4 Ų37.411%0.1118%0.175CC..Hα-helixtrans-64-47179.7-170.363.2000111.1A161 D162 A167 V168 Q169A161-L165 WeakPolarHBondContact O-CB 3.25Å; A161-L165 PolarHBondContact O-N 3.01Å; D162-L165 PolarHBondContact O-N 3.5Å; L165-A167 PolarHBondContact O-N 2.91Å; L165-V168 VanDerWaalsContact O-CG1 3.27Å; L165-V168 WeakPolarHBondContact O-CG1 3.41Å; L165-V168 PolarHBondContact O-N 3.15Å; L165-Q169 WeakPolarHBondContact O-CB 3.18Å; L165-Q169 VanDerWaalsContact O-CG 3.23Å; L165-Q169 WeakPolarHBondContact O-CG 3.49Å; L165-Q169 PolarHBondContact O-N 3.17Å; L165-Q169 VanDerWaalsContact O-N 3.1Å
166K98.5Very high98.4Very high113 Ų11339.2 Ų39.249%0.49120%0.199SC..Hα-helixtrans-59.5-45.9175-178.458.616369.10111.8D162 R163 Q169 D170D162-K166 WeakPolarHBondContact O-CB 3.24Å; D162-K166 PolarHBondContact O-N 3.21Å; R163-K166 PolarHBondContact O-N 3.01Å; K166-Q169 PolarHBondContact O-N 2.91Å; K166-D170 IonicContact NZ-OD1 3.66Å; K166-D170 PolarHBondContact NZ-OD1 2.78Å; K166-D170 IonicContact NZ-OD2 3.64Å; K166-D170 PolarHBondContact NZ-OD2 3.22Å; K166-D170 WeakPolarHBondContact O-CB 3.29Å; K166-D170 PolarHBondContact O-N 3.47Å
167A98.8Very high98.4Very high5 Ų539.7 Ų39.74%0.04120%0.203CC..Hα-helixtrans-60.9-47.6-178.700000112.1L88 A92 V94 L96 R163 A164 L165 D170 Q171L88-A167 HydrophobicContact CD2-CB 4.32Å; L88-A167 HydrophobicContact CG-CB 4.42Å; A92-A167 HydrophobicContact CB-CB 3.81Å; V94-A167 HydrophobicContact CG2-CB 4.07Å; L96-A167 HydrophobicContact CD1-CB 4.38Å; L96-A167 HydrophobicContact CD2-CB 4.27Å; R163-A167 WeakPolarHBondContact O-CB 3.43Å; R163-A167 PolarHBondContact O-N 2.82Å; A164-A167 PolarHBondContact O-N 3.36Å; L165-A167 PolarHBondContact O-N 2.91Å; A167-D170 PolarHBondContact O-N 2.89Å; A167-Q171 VanDerWaalsContact O-CG 3.29Å; A167-Q171 WeakPolarHBondContact O-CG 3.26Å; A167-Q171 PolarHBondContact O-N 2.82Å
168V98.9Very high98.4Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-67.7-37.2179.967.20000112.1F31 Y34 L88 A164 L165 Q171 F172F31-V168 HydrophobicContact CB-CG2 4.48Å; F31-V168 HydrophobicContact CD1-CB 4.48Å; F31-V168 HydrophobicContact CD1-CG2 3.64Å; F31-V168 HydrophobicContact CD2-CG1 4.35Å; F31-V168 HydrophobicContact CD2-CG2 4.22Å; F31-V168 HydrophobicContact CE1-CB 4.25Å; F31-V168 HydrophobicContact CE1-CG2 3.82Å; F31-V168 HydrophobicContact CE2-CB 4.3Å; F31-V168 HydrophobicContact CE2-CG1 4.24Å; F31-V168 HydrophobicContact CE2-CG2 4.36Å; F31-V168 HydrophobicContact CG-CG2 3.86Å; F31-V168 HydrophobicContact CZ-CB 4.15Å; F31-V168 HydrophobicContact CZ-CG2 4.18Å; Y34-V168 HydrophobicContact CD1-CG2 4.12Å; Y34-V168 HydrophobicContact CG-CG2 3.85Å; L88-V168 HydrophobicContact CD1-CB 4.33Å; L88-V168 HydrophobicContact CD2-CB 3.93Å; A164-V168 WeakPolarHBondContact O-CG1 3.32Å; A164-V168 PolarHBondContact O-N 2.89Å; L165-V168 VanDerWaalsContact O-CG1 3.27Å; L165-V168 WeakPolarHBondContact O-CG1 3.41Å; L165-V168 PolarHBondContact O-N 3.15Å; V168-Q171 PolarHBondContact O-N 3.12Å; V168-F172 WeakPolarHBondContact O-CB 3.38Å; V168-F172 PolarHBondContact O-N 3Å
169Q98.8Very high98.4Very high17 Ų1743 Ų438%0.07922%0.222CC..Hα-helixtrans-66.1-43.1176-72.5172.2-11.600111.7A25 S30 L165 K166 Q171 F172 Q173 I179A25-Q169 PolarHBondContact O-NE2 2.99Å; A25-Q169 VanDerWaalsContact O-NE2 3.08Å; S30-Q169 PolarHBondContact OG-NE2 2.67Å; L165-Q169 WeakPolarHBondContact O-CB 3.18Å; L165-Q169 VanDerWaalsContact O-CG 3.23Å; L165-Q169 WeakPolarHBondContact O-CG 3.49Å; L165-Q169 PolarHBondContact O-N 3.17Å; L165-Q169 VanDerWaalsContact O-N 3.1Å; K166-Q169 PolarHBondContact O-N 2.91Å; Q169-Q171 PolarHBondContact O-N 3.18Å; Q169-F172 WeakPolarHBondContact O-CB 3.49Å; Q169-F172 PolarHBondContact O-N 2.78Å; Q169-Q173 PolarHBondContact O-N 2.76Å; Q169-I179 HydrophobicContact CB-CD1 3.76Å; Q169-I179 HydrophobicContact CG-CD1 4Å
170D98.8Very high98.4Very high48 Ų4846.6 Ų46.626%0.25724%0.239SC..Hα-helixtrans-61.7-44174.9-71-17.8000111.4K166 A167 Q173 K174K166-D170 IonicContact NZ-OD1 3.66Å; K166-D170 PolarHBondContact NZ-OD1 2.78Å; K166-D170 IonicContact NZ-OD2 3.64Å; K166-D170 PolarHBondContact NZ-OD2 3.22Å; K166-D170 WeakPolarHBondContact O-CB 3.29Å; K166-D170 PolarHBondContact O-N 3.47Å; A167-D170 PolarHBondContact O-N 2.89Å; D170-Q173 PolarHBondContact O-N 2.86Å; D170-K174 VanDerWaalsContact O-CG 3.29Å; D170-K174 WeakPolarHBondContact O-CG 3.48Å; D170-K174 PolarHBondContact O-N 3.11Å
171Q98.9Very high98.4Very high20 Ų2049.2 Ų49.29%0.09325%0.253CS..Hα-helixtrans-65.3-39.4177.2-68.1-56.3-3400111.9Y34 L88 E91 A92 A167 V168 Q169 K174 L175Y34-Q171 HydrophobicContact CD2-CB 3.83Å; Y34-Q171 HydrophobicContact CE2-CB 3.75Å; L88-Q171 HydrophobicContact CD1-CB 4.44Å; L88-Q171 HydrophobicContact CD1-CG 3.9Å; E91-Q171 PolarHBondContact O-NE2 2.79Å; A92-Q171 VanDerWaalsContact CA-NE2 3.31Å; A92-Q171 HydrophobicContact CB-CG 4.44Å; A167-Q171 VanDerWaalsContact O-CG 3.29Å; A167-Q171 WeakPolarHBondContact O-CG 3.26Å; A167-Q171 PolarHBondContact O-N 2.82Å; V168-Q171 PolarHBondContact O-N 3.12Å; Q169-Q171 PolarHBondContact O-N 3.18Å; Q171-K174 VanDerWaalsContact NE2-NZ 3.18Å; Q171-K174 PolarHBondContact O-N 2.58Å; Q171-L175 WeakPolarHBondContact O-CG 3.43Å; Q171-L175 PolarHBondContact O-N 2.91Å
172F98.9Very high98.5Very high0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-58.7-47.4173.3169.7-119.3000112A33 A37 T43 L45 V168 Q169 L175 G177 V178 I179A33-F172 HydrophobicContact CB-CD1 4.29Å; A33-F172 HydrophobicContact CB-CD2 3.89Å; A33-F172 HydrophobicContact CB-CE1 4.12Å; A33-F172 HydrophobicContact CB-CE2 3.69Å; A33-F172 HydrophobicContact CB-CG 4.18Å; A33-F172 HydrophobicContact CB-CZ 3.81Å; A33-F172 WeakPolarHBondContact O-CD2 3.45Å; A33-F172 VanDerWaalsContact O-CE2 3.29Å; A33-F172 WeakPolarHBondContact O-CE2 3.32Å; A37-F172 HydrophobicContact CB-CD2 3.69Å; A37-F172 HydrophobicContact CB-CE2 3.92Å; T43-F172 HydrophobicContact CG2-CE2 3.96Å; T43-F172 HydrophobicContact CG2-CZ 3.96Å; L45-F172 HydrophobicContact CB-CE1 3.77Å; L45-F172 HydrophobicContact CB-CZ 4.23Å; L45-F172 HydrophobicContact CD2-CD1 4.45Å; L45-F172 HydrophobicContact CD2-CE1 4.41Å; V168-F172 WeakPolarHBondContact O-CB 3.38Å; V168-F172 PolarHBondContact O-N 3Å; Q169-F172 WeakPolarHBondContact O-CB 3.49Å; Q169-F172 PolarHBondContact O-N 2.78Å; F172-L175 PolarHBondContact O-N 2.79Å; F172-G177 WeakPolarHBondContact O-CA 3.3Å; F172-G177 PolarHBondContact O-N 3.04Å; F172-V178 WeakPolarHBondContact CE1-O 3.49Å; F172-I179 HydrophobicContact CD1-CD1 4.01Å; F172-I179 HydrophobicContact CD1-CG1 3.63Å; F172-I179 HydrophobicContact CE1-CD1 4.5Å; F172-I179 HydrophobicContact CE1-CG1 3.64Å
173Q98.8Very high98.6Very high99 Ų9951.3 Ų51.346%0.46326%0.264SS..Hα-helixtrans-65.8-38178-71.2-177.9-51.500112.8Q169 D170 L175 G176 I179Q169-Q173 PolarHBondContact O-N 2.76Å; D170-Q173 PolarHBondContact O-N 2.86Å; Q173-L175 PolarHBondContact O-N 2.92Å; Q173-G176 PolarHBondContact O-N 2.77Å; Q173-I179 HydrophobicContact CG-CD1 3.86Å; Q173-I179 HydrophobicContact CG-CG1 4.01Å
174K98.6Very high98.6Very high146 Ų14649.4 Ų49.464%0.63526%0.259SS*.Hα-helixtrans-59.6-29.3174-75.9173.9-173.1175.30113D170 Q171 G176D170-K174 VanDerWaalsContact O-CG 3.29Å; D170-K174 WeakPolarHBondContact O-CG 3.48Å; D170-K174 PolarHBondContact O-N 3.11Å; Q171-K174 VanDerWaalsContact NE2-NZ 3.18Å; Q171-K174 PolarHBondContact O-N 2.58Å; K174-G176 PolarHBondContact O-N 3.39Å
175L98.6Very high98.6Very high84 Ų8449.9 Ų49.944%0.4426%0.262SS..THydrogen-bonded Turntrans-83.78.8175.4-64.7169000113Y34 A37 K38 Q171 F172 Q173Y34-L175 HydrophobicContact CD2-CD1 4.05Å; Y34-L175 HydrophobicContact CE2-CD1 4.12Å; A37-L175 HydrophobicContact CB-CB 3.74Å; A37-L175 HydrophobicContact CB-CD1 4.13Å; K38-L175 HydrophobicContact CG-CD1 3.6Å; Q171-L175 WeakPolarHBondContact O-CG 3.43Å; Q171-L175 PolarHBondContact O-N 2.91Å; F172-L175 PolarHBondContact O-N 2.79Å; Q173-L175 PolarHBondContact O-N 2.92Å
176G98.2Very high98.5Very high63 Ų6352.1 Ų52.165%0.64928%0.277SS*.THydrogen-bonded Turntrans86.67.918000000114.5Q173 K174Q173-G176 PolarHBondContact O-N 2.77Å; K174-G176 PolarHBondContact O-N 3.39Å
177G98.5Very high98.4Very high9 Ų950.8 Ų50.89%0.09327%0.272CS..  trans-65.4145.1173.800000113.1F172F172-G177 WeakPolarHBondContact O-CA 3.3Å; F172-G177 PolarHBondContact O-N 3.04Å
178V98.6Very high98.3Very high48 Ų4850.6 Ų50.629%0.29127%0.271SS..EExtended strand (participates in β ladder)trans-106.3125.2177.2-1780000109.4T43 L44 L45 F172 Q180T43-V178 PolarHBondContact O-N 3.03Å; L44-V178 CarbonylContact C-O 3.59Å; L44-V178 WeakPolarHBondContact CA-O 2.87Å; L44-V178 HydrophobicContact CD1-CB 4.03Å; L44-V178 HydrophobicContact CD1-CG1 3.76Å; L45-V178 PolarHBondContact N-O 3.31Å; F172-V178 WeakPolarHBondContact CE1-O 3.49Å; V178-Q180 HydrophobicContact CG1-CG 4.13Å
179I98.8Very high98.2Very high25 Ų2556.8 Ų56.813%0.12830%0.297CS..EExtended strand (participates in β ladder)trans-104.6129168.5-54.2179000107.4L45 L51 Q169 F172 Q173L45-I179 HydrophobicContact CB-CG1 4.32Å; L45-I179 HydrophobicContact CD2-CD1 4.39Å; L45-I179 HydrophobicContact CD2-CG1 4.19Å; L45-I179 WeakPolarHBondContact O-CA 3.37Å; L51-I179 HydrophobicContact CD1-CG2 3.75Å; Q169-I179 HydrophobicContact CB-CD1 3.76Å; Q169-I179 HydrophobicContact CG-CD1 4Å; F172-I179 HydrophobicContact CD1-CD1 4.01Å; F172-I179 HydrophobicContact CD1-CG1 3.63Å; F172-I179 HydrophobicContact CE1-CD1 4.5Å; F172-I179 HydrophobicContact CE1-CG1 3.64Å; Q173-I179 HydrophobicContact CG-CD1 3.86Å; Q173-I179 HydrophobicContact CG-CG1 4.01Å
180Q98.4Very high98.1Very high75 Ų7557.4 Ų57.435%0.3530%0.303SS..EExtended strand (participates in β ladder)trans-120.4110.9168.7-62.1-66.2-20.300108.5L44 L45 L46 E47 V178 E183L44-Q180 HydrophobicContact CD1-CB 4.3Å; L44-Q180 HydrophobicContact CD1-CG 3.64Å; L45-Q180 PolarHBondContact O-N 3.49Å; L46-Q180 CarbonylContact C-O 3.39Å; L46-Q180 WeakPolarHBondContact CA-O 3.5Å; L46-Q180 HydrophobicContact CD2-CB 3.93Å; E47-Q180 PolarHBondContact N-O 3.43Å; V178-Q180 HydrophobicContact CG1-CG 4.13Å; Q180-E183 HydrophobicContact CB-CB 4.37Å; Q180-E183 WeakPolarHBondContact CB-OE2 3.42Å
181D98.3Very high97.8Very high60 Ų6056.4 Ų56.432%0.32130%0.304SS..  trans-98172176.475-18.1000110.4E47 F49 V50 L51 E183E47-D181 HydrophobicContact CB-CB 4.32Å; E47-D181 CarbonylContact O-C 3.47Å; E47-D181 WeakPolarHBondContact O-CA 3.42Å; F49-D181 WeakPolarHBondContact O-CB 3.29Å; V50-D181 WeakPolarHBondContact CA-OD2 3.28Å; L51-D181 HydrophobicContact CB-CB 4.35Å; L51-D181 HydrophobicContact CD1-CB 4.11Å; L51-D181 HydrophobicContact CG-CB 3.99Å; L51-D181 PolarHBondContact N-OD2 3.29Å; D181-E183 PolarHBondContact O-N 3.3Å; D181-E183 VanDerWaalsContact O-N 3.07Å
182N98.3Very high97.6Very high108 Ų10861.7 Ų61.758%0.57834%0.34SS*.SBendtrans52.528.8-171.1-164.744.3000113.8E47 F49 V50E47-N182 PolarHBondContact O-N 2.92Å; F49-N182 PolarHBondContact O-N 3.02Å; V50-N182 HydrophobicContact CG2-CB 3.8Å
183E98.2Very high97.5Very high10 Ų1065.2 Ų65.25%0.04736%0.361CS..  trans-125.986.7-173.5-173.9153.3-149.400110L46 E47 Q180 D181 V185 T198 G200 Y203L46-E183 HydrophobicContact CD2-CG 4.15Å; E47-E183 CarbonylContact O-C 3.34Å; E47-E183 PolarHBondContact O-N 3.39Å; Q180-E183 HydrophobicContact CB-CB 4.37Å; Q180-E183 WeakPolarHBondContact CB-OE2 3.42Å; D181-E183 PolarHBondContact O-N 3.3Å; D181-E183 VanDerWaalsContact O-N 3.07Å; E183-V185 PolarHBondContact O-N 3.23Å; E183-T198 VanDerWaalsContact CG-CB 3.46Å; E183-T198 HydrophobicContact CG-CG2 3.81Å; E183-T198 WeakPolarHBondContact CG-OG1 3.35Å; E183-T198 PolarHBondContact OE1-OG1 3.08Å; E183-G200 WeakPolarHBondContact OE1-CA 3.27Å; E183-Y203 WeakPolarHBondContact OE1-CE2 3.34Å; E183-Y203 PolarHBondContact OE1-OH 3.24Å; E183-Y203 PolarHBondContact OE2-OH 2.93Å
184K98.2Very high97.4Very high86 Ų8660.5 Ų60.537%0.37434%0.339SS..  trans-75.2122.9-177.6-175.8174.6-176.7174.70110Q48 T186 T198 S199Q48-K184 HydrophobicContact CB-CB 3.83Å; Q48-K184 HydrophobicContact CB-CG 4Å; K184-T186 PolarHBondContact O-N 2.78Å; K184-T198 CarbonylContact O-C 3.57Å; K184-T198 WeakPolarHBondContact O-CA 3.38Å; K184-T198 WeakPolarHBondContact O-CB 3.34Å; K184-S199 PolarHBondContact N-OG 2.93Å; K184-S199 VanDerWaalsContact N-OG 3.11Å; K184-S199 PolarHBondContact O-N 2.89Å
185V98.4Very high97.4Very high11 Ų1157.2 Ų57.27%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-67.3125.9167.5178.80000109.3I23 L46 E183 I188 V196 T198 L219I23-V185 HydrophobicContact CD1-CG1 4.29Å; I23-V185 HydrophobicContact CD1-CG2 4.08Å; I23-V185 HydrophobicContact CG1-CG2 4.14Å; I23-V185 HydrophobicContact CG2-CB 4.3Å; I23-V185 HydrophobicContact CG2-CG2 3.72Å; L46-V185 HydrophobicContact CB-CG2 4.43Å; L46-V185 HydrophobicContact CD1-CG2 3.65Å; E183-V185 PolarHBondContact O-N 3.23Å; V185-I188 HydrophobicContact CG1-CD1 4.49Å; V185-I188 HydrophobicContact CG1-CG1 3.92Å; V185-V196 HydrophobicContact CB-CG1 4.43Å; V185-V196 HydrophobicContact CG1-CG1 3.76Å; V185-V196 HydrophobicContact CG2-CG1 3.81Å; V185-T198 HydrophobicContact CG2-CG2 4.13Å; V185-L219 HydrophobicContact CB-CD2 3.95Å; V185-L219 HydrophobicContact CG1-CD2 3.84Å
186T96.9Very high97.4Very high68 Ų6853.2 Ų53.242%0.41730%0.304SS..EExtended strand (participates in β ladder)trans-112.7-15.6-178.456.60000113.2K184 T197 H222K184-T186 PolarHBondContact O-N 2.78Å; T186-T197 PolarHBondContact N-O 2.94Å; T186-T197 PolarHBondContact OG1-O 2.85Å; T186-H222 PolarHBondContact O-CE1 3.4Å; T186-H222 PolarHBondContact O-NE2 3.49Å; T186-H222 VanDerWaalsContact O-NE2 3.16Å
187E96.6Very high97.3Very high84 Ų8451.1 Ų51.139%0.39328%0.279SS..EExtended strand (participates in β ladder)trans-157.7142.3176.7-167.9-171.4-165.200110.5T197E187-T197 PolarHBondContact N-O 3.36Å; E187-T197 PolarHBondContact O-N 2.82Å; E187-T197 PolarHBondContact OE2-OG1 2.83Å
188I97Very high97.3Very high2 Ų251.1 Ų51.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-121.9117.2167.4-59174.1000106.9I23 V185 P190 V194 I210 L219 I349I23-I188 HydrophobicContact CD1-CD1 3.61Å; I23-I188 HydrophobicContact CD1-CG1 4.19Å; V185-I188 HydrophobicContact CG1-CD1 4.49Å; V185-I188 HydrophobicContact CG1-CG1 3.92Å; I188-P190 WeakPolarHBondContact O-CD 3.43Å; I188-V194 HydrophobicContact CG2-CG1 3.74Å; I188-I210 HydrophobicContact CD1-CD1 3.8Å; I188-I210 HydrophobicContact CD1-CG1 4.29Å; I188-L219 HydrophobicContact CD1-CB 4.14Å; I188-I349 HydrophobicContact CG2-CD1 4.35Å
189K96.6Very high97.2Very high129 Ų12952.7 Ų52.756%0.56129%0.29SS*.EExtended strand (participates in β ladder)trans-106.9107.3175.7-175.1173.6-176.3172.30109.9K195K189-K195 HydrophobicContact CB-CB 4.29Å; K189-K195 PolarHBondContact N-O 3.27Å; K189-K195 PolarHBondContact O-N 3.02Å
190P95.8Very high97.1Very high31 Ų3153.2 Ų53.220%0.20130%0.302CS..  trans-64.1154.4178.6-2234.3000113.2I188 T223 Y346 I349I188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-T223 HydrophobicContact CG-CG2 3.83Å; P190-Y346 HydrophobicContact CB-CD1 3.58Å; P190-Y346 HydrophobicContact CB-CD2 3.79Å; P190-Y346 HydrophobicContact CB-CE1 3.45Å; P190-Y346 VanDerWaalsContact CB-CE1 3.45Å; P190-Y346 HydrophobicContact CB-CE2 3.72Å; P190-Y346 HydrophobicContact CB-CG 3.77Å; P190-Y346 HydrophobicContact CG-CD1 4.38Å; P190-Y346 HydrophobicContact CG-CD2 3.71Å; P190-Y346 HydrophobicContact CG-CE1 4.11Å; P190-Y346 HydrophobicContact CG-CE2 3.43Å; P190-Y346 VanDerWaalsContact CG-CE2 3.43Å; P190-Y346 HydrophobicContact CG-CG 4.22Å; P190-I349 HydrophobicContact CB-CD1 4.24Å; P190-I349 HydrophobicContact CG-CD1 4.07Å
191G94.3Very high96.9Very high27 Ų2750.1 Ų50.128%0.27829%0.29SS..SBendtrans171.9-179.9178.400000110.5V193 N348G191-V193 PolarHBondContact O-N 3.4Å; G191-N348 PolarHBondContact O-ND2 2.98Å
192P93.8Very high96.8Very high131 Ų13147.5 Ų47.585%0.85128%0.276SS*.SBendtrans-55.4-32173.4-24.934.5000112.8
193V96.6Very high96.8Very high73 Ų7342.9 Ų42.944%0.44225%0.251SS..SBendtrans-119.8125163.3178.90000106.3G191 Q204 A205G191-V193 PolarHBondContact O-N 3.4Å; V193-Q204 HydrophobicContact CG1-CB 3.83Å; V193-Q204 HydrophobicContact CG1-CG 4.39Å; V193-A205 CarbonylContact C-O 3.57Å; V193-A205 WeakPolarHBondContact CG1-O 3.18Å
194V97.4Very high96.8Very high0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-78.2131.6179.9-170.40000108.9I188 V196 Q204 A205 V208 N348 I349I188-V194 HydrophobicContact CG2-CG1 3.74Å; V194-V196 HydrophobicContact CG1-CG2 4.38Å; V194-Q204 WeakPolarHBondContact O-CA 3.5Å; V194-A205 PolarHBondContact N-O 3.13Å; V194-A205 PolarHBondContact O-N 3.21Å; V194-V208 HydrophobicContact CB-CG2 3.66Å; V194-V208 HydrophobicContact CG1-CG2 3.61Å; V194-V208 HydrophobicContact CG2-CG2 4.02Å; V194-N348 VanDerWaalsContact CG2-ND2 3.34Å; V194-N348 WeakPolarHBondContact CG2-ND2 3.37Å; V194-I349 HydrophobicContact CG2-CG1 4.23Å
195K97.7Very high96.8Very high77 Ų7741.7 Ų41.734%0.33525%0.247SC..EExtended strand (participates in β ladder)trans-97.7124.5172.4-173.7-172.5-175.6-1720109K189 V202K189-K195 HydrophobicContact CB-CB 4.29Å; K189-K195 PolarHBondContact N-O 3.27Å; K189-K195 PolarHBondContact O-N 3.02Å; K195-V202 HydrophobicContact CD-CG1 4.1Å; K195-V202 HydrophobicContact CG-CG1 3.71Å
196V98Very high96.7Very high0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-113.5112.9178.6-176.90000108.3V21 I23 L46 V185 V194 T198 Y203 V208V21-V196 HydrophobicContact CG1-CG2 4.3Å; I23-V196 HydrophobicContact CD1-CG1 4.3Å; L46-V196 HydrophobicContact CD1-CG1 3.97Å; V185-V196 HydrophobicContact CB-CG1 4.43Å; V185-V196 HydrophobicContact CG1-CG1 3.76Å; V185-V196 HydrophobicContact CG2-CG1 3.81Å; V194-V196 HydrophobicContact CG1-CG2 4.38Å; V196-T198 HydrophobicContact CG1-CG2 4.33Å; V196-Y203 PolarHBondContact N-O 2.82Å; V196-Y203 PolarHBondContact O-N 2.89Å; V196-V208 HydrophobicContact CG2-CG2 3.94Å
197T97.8Very high96.8Very high20 Ų2047.7 Ų47.712%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-95.3134.8176-50.30000109T186 E187 V202T186-T197 PolarHBondContact N-O 2.94Å; T186-T197 PolarHBondContact OG1-O 2.85Å; E187-T197 PolarHBondContact N-O 3.36Å; E187-T197 PolarHBondContact O-N 2.82Å; E187-T197 PolarHBondContact OE2-OG1 2.83Å; T197-V202 HydrophobicContact CG2-CG2 4.22Å
198T97.9Very high96.9Very high9 Ų943.7 Ų43.76%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-126.4173.5-179.673.50000110.9L46 E183 K184 V185 V196 G200 G201 Y203L46-T198 HydrophobicContact CD1-CG2 3.96Å; E183-T198 VanDerWaalsContact CG-CB 3.46Å; E183-T198 HydrophobicContact CG-CG2 3.81Å; E183-T198 WeakPolarHBondContact CG-OG1 3.35Å; E183-T198 PolarHBondContact OE1-OG1 3.08Å; K184-T198 CarbonylContact O-C 3.57Å; K184-T198 WeakPolarHBondContact O-CA 3.38Å; K184-T198 WeakPolarHBondContact O-CB 3.34Å; V185-T198 HydrophobicContact CG2-CG2 4.13Å; V196-T198 HydrophobicContact CG1-CG2 4.33Å; T198-G200 PolarHBondContact O-N 3.24Å; T198-G200 PolarHBondContact OG1-N 3.16Å; T198-G201 PolarHBondContact N-O 3.26Å; T198-G201 PolarHBondContact OG1-N 2.94Å; T198-G201 PolarHBondContact OG1-O 3.27Å; T198-G201 VanDerWaalsContact OG1-O 3.09Å; T198-Y203 HydrophobicContact CG2-CD2 3.88Å; T198-Y203 HydrophobicContact CG2-CE2 3.8Å
199S97.3Very high97Very high81 Ų8143.6 Ų43.657%0.56624%0.244SC*.SBendtrans-61.7-19.9167.554.80000113.7K184K184-S199 PolarHBondContact N-OG 2.93Å; K184-S199 VanDerWaalsContact N-OG 3.11Å; K184-S199 PolarHBondContact O-N 2.89Å
200G94.8Very high97.1Very high36 Ų3637.4 Ų37.437%0.37122%0.217SC..SBendtrans-103.4-19-176.800000114.5K15 E183 T198K15-G200 WeakPolarHBondContact CE-O 3.44Å; K15-G200 PolarHBondContact NZ-O 2.98Å; E183-G200 WeakPolarHBondContact OE1-CA 3.27Å; T198-G200 PolarHBondContact O-N 3.24Å; T198-G200 PolarHBondContact OG1-N 3.16Å
201G94.9Very high97.2Very high10 Ų1036.4 Ų36.410%0.10321%0.211CC..  trans161.7-156.4-178.900000113.9T198T198-G201 PolarHBondContact N-O 3.26Å; T198-G201 PolarHBondContact OG1-N 2.94Å; T198-G201 PolarHBondContact OG1-O 3.27Å; T198-G201 VanDerWaalsContact OG1-O 3.09Å
202V96.9Very high97.4Very high5 Ų535.8 Ų35.83%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-126.6130.1-176.9173.50000109.5M12 K15 K195 T197M12-V202 HydrophobicContact CB-CG2 4.23Å; M12-V202 HydrophobicContact SD-CG2 4.46Å; K15-V202 PolarHBondContact N-O 2.89Å; K195-V202 HydrophobicContact CD-CG1 4.1Å; K195-V202 HydrophobicContact CG-CG1 3.71Å; T197-V202 HydrophobicContact CG2-CG2 4.22Å
203Y97.6Very high97.6Very high11 Ų1130.4 Ų30.44%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-117.5153.8175.6-55.6-74.2000111.4K15 Y18 L44 L46 E183 V196 T198K15-Y203 HydrophobicContact CB-CD1 4.25Å; K15-Y203 HydrophobicContact CB-CE1 4.01Å; K15-Y203 HydrophobicContact CD-CE1 4.26Å; Y18-Y203 AromaticContact CE2-CD1 3.87Å; Y18-Y203 HydrophobicContact CE2-CD1 3.87Å; Y18-Y203 HydrophobicContact CE2-CE1 4.49Å; L44-Y203 HydrophobicContact CD2-CD1 3.62Å; L44-Y203 HydrophobicContact CD2-CD2 3.85Å; L44-Y203 HydrophobicContact CD2-CE1 3.84Å; L44-Y203 HydrophobicContact CD2-CE2 4.05Å; L44-Y203 HydrophobicContact CD2-CG 3.61Å; L46-Y203 HydrophobicContact CD1-CD2 4.34Å; L46-Y203 HydrophobicContact CD2-CD2 4.42Å; L46-Y203 HydrophobicContact CD2-CE2 3.99Å; E183-Y203 WeakPolarHBondContact OE1-CE2 3.34Å; E183-Y203 PolarHBondContact OE1-OH 3.24Å; E183-Y203 PolarHBondContact OE2-OH 2.93Å; V196-Y203 PolarHBondContact N-O 2.82Å; V196-Y203 PolarHBondContact O-N 2.89Å; T198-Y203 HydrophobicContact CG2-CD2 3.88Å; T198-Y203 HydrophobicContact CG2-CE2 3.8Å
204Q98.1Very high97.7Very high69 Ų6927.5 Ų27.532%0.32215%0.154SC..EExtended strand (participates in β ladder)trans-123.4136.8175-73.6-175.1-31.900109.9A14 Q16 D17 Y18 V193 V194A14-Q204 HydrophobicContact CB-CG 4.04Å; Q16-Q204 PolarHBondContact O-N 2.48Å; D17-Q204 PolarHBondContact OD1-OE1 2.99Å; Y18-Q204 PolarHBondContact N-O 2.88Å; V193-Q204 HydrophobicContact CG1-CB 3.83Å; V193-Q204 HydrophobicContact CG1-CG 4.39Å; V194-Q204 WeakPolarHBondContact O-CA 3.5Å
205A98Very high97.8Very high1 Ų128.1 Ų28.11%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-146146.9179.500000112.9Y18 V21 V193 V194 N207 V208Y18-A205 VanDerWaalsContact O-CA 3.28Å; Y18-A205 WeakPolarHBondContact O-CA 3.46Å; V21-A205 HydrophobicContact CB-CB 4.05Å; V21-A205 HydrophobicContact CG2-CB 3.6Å; V193-A205 CarbonylContact C-O 3.57Å; V193-A205 WeakPolarHBondContact CG1-O 3.18Å; V194-A205 PolarHBondContact N-O 3.13Å; V194-A205 PolarHBondContact O-N 3.21Å; A205-N207 WeakPolarHBondContact CB-O 3.35Å; A205-V208 HydrophobicContact CB-CG2 4.49Å
206R97.6Very high97.8Very high165 Ų16524.5 Ų24.562%0.62314%0.14SC*.EExtended strand (participates in β ladder)trans-66.4-43.3173.4-62.2-178.5-177.7-170.12.1110.9Y18 D19 N348Y18-R206 PolarHBondContact O-N 2.99Å; D19-R206 PolarHBondContact O-N 3.48Å; R206-N348 WeakPolarHBondContact O-CB 3.49Å; R206-N348 PolarHBondContact O-ND2 3.23Å; R206-N348 VanDerWaalsContact O-ND2 3.11Å
207N98.3Very high97.8Very high40 Ų4026 Ų2621%0.21415%0.149CC..EExtended strand (participates in β ladder)trans-124.1149.8177.3-62.8-65.9000112.2D19 C20 V21 A205 N348 S374D19-N207 PolarHBondContact O-N 2.71Å; D19-N207 VanDerWaalsContact O-N 3.1Å; C20-N207 VanDerWaalsContact CA-O 3.26Å; C20-N207 WeakPolarHBondContact CA-O 3.4Å; C20-N207 HydrophobicContact CB-CB 4.49Å; C20-N207 PolarHBondContact SG-O 2.85Å; V21-N207 PolarHBondContact N-O 3.02Å; A205-N207 WeakPolarHBondContact CB-O 3.35Å; N207-N348 CarbonylContact C-O 3.59Å; N207-N348 VanDerWaalsContact CA-O 3.3Å; N207-N348 WeakPolarHBondContact CA-O 3.41Å; N207-N348 WeakPolarHBondContact OD1-CB 3.37Å; N207-S374 VanDerWaalsContact CG-O 3.26Å; N207-S374 PolarHBondContact ND2-O 2.86Å; N207-S374 VanDerWaalsContact ND2-O 3.11Å; N207-S374 PolarHBondContact OD1-O 3.4Å
208V98.7Very high97.7Very high0 Ų028.8 Ų28.80%016%0.159CC..EExtended strand (participates in β ladder)trans-124.9134.1171.11740000110V21 I23 V194 V196 A205 I210 N348 I349 V350V21-V208 HydrophobicContact CB-CG2 4.37Å; V21-V208 CarbonylContact O-C 3.58Å; V21-V208 VanDerWaalsContact O-CA 3.26Å; V21-V208 WeakPolarHBondContact O-CA 3.35Å; I23-V208 HydrophobicContact CD1-CG1 3.7Å; I23-V208 HydrophobicContact CG1-CG1 4.23Å; V194-V208 HydrophobicContact CB-CG2 3.66Å; V194-V208 HydrophobicContact CG1-CG2 3.61Å; V194-V208 HydrophobicContact CG2-CG2 4.02Å; V196-V208 HydrophobicContact CG2-CG2 3.94Å; A205-V208 HydrophobicContact CB-CG2 4.49Å; V208-I210 HydrophobicContact CG1-CG1 4.09Å; V208-N348 PolarHBondContact N-O 3.03Å; V208-I349 CarbonylContact O-C 3.6Å; V208-I349 WeakPolarHBondContact O-CA 3.46Å; V208-V350 PolarHBondContact O-N 3.34Å
209V98.9Very high97.6Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-112.5122.2170.2-172.30000109.7V21 V22 I23 T32 T211 V350 L370V21-V209 PolarHBondContact O-N 3.25Å; V22-V209 CarbonylContact C-O 3.5Å; V22-V209 WeakPolarHBondContact CA-O 3.44Å; V22-V209 HydrophobicContact CG1-CB 4.37Å; V22-V209 HydrophobicContact CG2-CB 4.26Å; I23-V209 PolarHBondContact N-O 3.01Å; T32-V209 HydrophobicContact CG2-CB 4.35Å; T32-V209 HydrophobicContact CG2-CG1 4.14Å; T32-V209 HydrophobicContact CG2-CG2 4.13Å; V209-T211 HydrophobicContact CG1-CG2 4.23Å; V209-V350 CarbonylContact C-O 3.54Å; V209-V350 WeakPolarHBondContact CA-O 3.38Å; V209-V350 HydrophobicContact CG1-CB 4.37Å; V209-V350 HydrophobicContact CG1-CG1 4.44Å; V209-V350 HydrophobicContact CG2-CB 4.23Å; V209-L370 HydrophobicContact CG1-CB 4.26Å; V209-L370 HydrophobicContact CG1-CD1 4.29Å
210I98.9Very high97.5Very high0 Ų025.1 Ų25.10%013%0.132CC..EExtended strand (participates in β ladder)trans-99.1113.1179.5-57.2175000109.2I23 I188 V208 A212 T216 L219 L220 I349 V350 G352I23-I210 HydrophobicContact CD1-CG1 4.46Å; I188-I210 HydrophobicContact CD1-CD1 3.8Å; I188-I210 HydrophobicContact CD1-CG1 4.29Å; V208-I210 HydrophobicContact CG1-CG1 4.09Å; I210-A212 HydrophobicContact CG2-CB 4.3Å; I210-T216 HydrophobicContact CG2-CG2 4.29Å; I210-L219 HydrophobicContact CG2-CD1 4.07Å; I210-L220 HydrophobicContact CD1-CD2 3.76Å; I210-I349 HydrophobicContact CD1-CG2 3.86Å; I210-I349 HydrophobicContact CG1-CG2 4.35Å; I210-V350 PolarHBondContact N-O 3.43Å; I210-G352 PolarHBondContact O-N 3.28Å
211T98.8Very high97.4Very high10 Ų1025.7 Ų25.76%0.06113%0.134CC..  trans-12936.9175.9460000111.9I23 G24 Q28 G29 V209 G213 G352 L370I23-T211 CarbonylContact O-C 3.55Å; I23-T211 VanDerWaalsContact O-C 3.28Å; I23-T211 WeakPolarHBondContact O-CA 3.38Å; I23-T211 PolarHBondContact O-N 2.91Å; I23-T211 PolarHBondContact O-OG1 3Å; I23-T211 VanDerWaalsContact O-OG1 3.09Å; G24-T211 PolarHBondContact O-OG1 2.93Å; Q28-T211 HydrophobicContact CB-CG2 3.95Å; G29-T211 WeakPolarHBondContact CA-OG1 3.3Å; G29-T211 PolarHBondContact N-OG1 2.93Å; V209-T211 HydrophobicContact CG1-CG2 4.23Å; T211-G213 PolarHBondContact O-N 3.45Å; T211-G352 WeakPolarHBondContact CA-O 3.48Å; T211-L370 HydrophobicContact CG2-CD1 3.65Å
212A98.3Very high97.2Very high13 Ų1329.4 Ų29.411%0.10715%0.148CC..  trans-77.817.4-169.400000115.2I23 I210 W215 L219I23-A212 PolarHBondContact O-N 2.59Å; I210-A212 HydrophobicContact CG2-CB 4.3Å; A212-W215 HydrophobicContact CB-CB 4.36Å; A212-W215 PolarHBondContact O-N 3.2Å; A212-L219 HydrophobicContact CB-CD1 3.47Å; A212-L219 VanDerWaalsContact CB-CD1 3.47Å; A212-L219 HydrophobicContact CB-CG 4.49Å
213G98.2Very high96.8Very high18 Ų1829.8 Ų29.819%0.18615%0.151CC..G310 helixtrans50.4-127.3176.600000112.6T211 W215 T216T211-G213 PolarHBondContact O-N 3.45Å; G213-W215 PolarHBondContact O-N 2.95Å; G213-W215 VanDerWaalsContact O-N 3.12Å; G213-T216 WeakPolarHBondContact O-CB 3.23Å; G213-T216 PolarHBondContact O-N 2.87Å; G213-T216 VanDerWaalsContact O-N 3.11Å; G213-T216 PolarHBondContact O-OG1 3.08Å
214P98.1Very high96.5Very high13 Ų1332.1 Ų32.18%0.08418%0.178CC..G310 helixtrans-56.9-23.3177.8-26.934.9000115.9T231 P292 M329 T331P214-T231 HydrophobicContact CB-CG2 3.86Å; P214-T231 HydrophobicContact CG-CG2 4.31Å; P214-P292 HydrophobicContact CB-CB 3.47Å; P214-P292 VanDerWaalsContact CB-CB 3.47Å; P214-P292 HydrophobicContact CB-CG 3.87Å; P214-P292 HydrophobicContact CG-CB 4.47Å; P214-M329 HydrophobicContact CB-CE 4.44Å; P214-M329 HydrophobicContact CB-SD 4.35Å; P214-M329 HydrophobicContact CG-CB 4.07Å; P214-M329 HydrophobicContact CG-CE 3.94Å; P214-M329 HydrophobicContact CG-SD 4.12Å; P214-T331 VanDerWaalsContact CA-OG1 3.23Å; P214-T331 WeakPolarHBondContact CA-OG1 3.02Å; P214-T331 WeakPolarHBondContact CD-OG1 3.48Å; P214-T331 WeakPolarHBondContact CG-OG1 3.32Å
215W98.4Very high96.2Very high13 Ų1329.9 Ų29.95%0.04917%0.167CC..G310 helixtrans-88.80.3-179.1-67.7-97.6000113.7F49 R55 A212 G213 N217 K218 L219 P292 D293 M329F49-W215 AromaticContact CE2-CH2 3.75Å; F49-W215 HydrophobicContact CE2-CH2 3.75Å; F49-W215 HydrophobicContact CE2-CZ2 4.05Å; F49-W215 HydrophobicContact CE2-CZ3 4.23Å; F49-W215 AromaticContact CZ-CH2 3.88Å; F49-W215 HydrophobicContact CZ-CH2 3.88Å; F49-W215 AromaticContact CZ-CZ2 3.73Å; F49-W215 HydrophobicContact CZ-CZ2 3.73Å; R55-W215 WeakPolarHBondContact O-CH2 3.39Å; A212-W215 HydrophobicContact CB-CB 4.36Å; A212-W215 PolarHBondContact O-N 3.2Å; G213-W215 PolarHBondContact O-N 2.95Å; G213-W215 VanDerWaalsContact O-N 3.12Å; W215-N217 VanDerWaalsContact C-N 3.33Å; W215-N217 PolarHBondContact O-N 3.45Å; W215-K218 WeakPolarHBondContact O-CB 3.31Å; W215-K218 PolarHBondContact O-N 3.5Å; W215-L219 PolarHBondContact O-N 2.97Å; W215-P292 HydrophobicContact CD2-CB 4.06Å; W215-P292 HydrophobicContact CD2-CG 4.3Å; W215-P292 HydrophobicContact CE3-CB 4.41Å; W215-P292 HydrophobicContact CG-CG 4.45Å; W215-P292 HydrophobicContact CH2-CB 4.07Å; W215-P292 HydrophobicContact CZ2-CB 3.69Å; W215-P292 WeakPolarHBondContact CZ2-O 3.26Å; W215-P292 HydrophobicContact CZ3-CB 4.41Å; W215-D293 PolarHBondContact NE1-OD1 2.85Å; W215-M329 HydrophobicContact CH2-CE 3.65Å; W215-M329 HydrophobicContact CZ3-CE 3.99Å
216T98.3Very high96Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-49.8-49.7-176.2-60.60000112.6I210 G213 K218 L219 L220 L227 L229 I351 A353I210-T216 HydrophobicContact CG2-CG2 4.29Å; G213-T216 WeakPolarHBondContact O-CB 3.23Å; G213-T216 PolarHBondContact O-N 2.87Å; G213-T216 VanDerWaalsContact O-N 3.11Å; G213-T216 PolarHBondContact O-OG1 3.08Å; T216-K218 VanDerWaalsContact C-N 3.31Å; T216-K218 PolarHBondContact O-N 2.91Å; T216-L219 PolarHBondContact O-N 3.36Å; T216-L219 VanDerWaalsContact O-N 3.13Å; T216-L220 HydrophobicContact CG2-CD1 3.71Å; T216-L220 HydrophobicContact CG2-CG 4.12Å; T216-L220 WeakPolarHBondContact O-CG 3.23Å; T216-L220 PolarHBondContact O-N 3.14Å; T216-L227 HydrophobicContact CG2-CD1 4.46Å; T216-L229 HydrophobicContact CG2-CD1 4.15Å; T216-I351 HydrophobicContact CG2-CG2 4.38Å; T216-A353 HydrophobicContact CG2-CB 3.72Å
217N97.1Very high96Very high33 Ų3328 Ų2818%0.17617%0.166CC..Hα-helixtrans-68.7-26.3-178.8-85.8-10.4000113.8W215 L219 A221 L227W215-N217 VanDerWaalsContact C-N 3.33Å; W215-N217 PolarHBondContact O-N 3.45Å; N217-L219 VanDerWaalsContact C-N 3.26Å; N217-L219 PolarHBondContact O-N 2.91Å; N217-A221 WeakPolarHBondContact O-CB 3.41Å; N217-A221 PolarHBondContact O-N 3.21Å; N217-L227 PolarHBondContact ND2-O 2.82Å; N217-L227 PolarHBondContact OD1-N 3.22Å
218K95.9Very high95.9Very high77 Ų7727.8 Ų27.834%0.33517%0.167SC..Hα-helixtrans-65.2-35.4173.3-68.7-179.8174.2172.90110.4W215 T216 D291 D293W215-K218 WeakPolarHBondContact O-CB 3.31Å; W215-K218 PolarHBondContact O-N 3.5Å; T216-K218 VanDerWaalsContact C-N 3.31Å; T216-K218 PolarHBondContact O-N 2.91Å; K218-D291 IonicContact NZ-OD1 3.79Å; K218-D291 PolarHBondContact NZ-OD1 3.23Å; K218-D291 IonicContact NZ-OD2 3.68Å; K218-D293 VanDerWaalsContact NZ-CG 3.26Å; K218-D293 IonicContact NZ-OD1 2.69Å; K218-D293 IonicContact NZ-OD2 3.34Å; K218-D293 PolarHBondContact NZ-OD2 3.01Å
219L96.3Very high95.9Very high13 Ų1329.3 Ų29.37%0.06818%0.175CC..Hα-helixtrans-77.4-42.3175.4-62.3179.4000113.1I23 V185 I188 I210 A212 W215 T216 N217 A221 H222I23-L219 HydrophobicContact CB-CD1 4.44Å; I23-L219 HydrophobicContact CG2-CD1 3.56Å; V185-L219 HydrophobicContact CB-CD2 3.95Å; V185-L219 HydrophobicContact CG1-CD2 3.84Å; I188-L219 HydrophobicContact CD1-CB 4.14Å; I210-L219 HydrophobicContact CG2-CD1 4.07Å; A212-L219 HydrophobicContact CB-CD1 3.47Å; A212-L219 VanDerWaalsContact CB-CD1 3.47Å; A212-L219 HydrophobicContact CB-CG 4.49Å; W215-L219 PolarHBondContact O-N 2.97Å; T216-L219 PolarHBondContact O-N 3.36Å; T216-L219 VanDerWaalsContact O-N 3.13Å; N217-L219 VanDerWaalsContact C-N 3.26Å; N217-L219 PolarHBondContact O-N 2.91Å; L219-A221 PolarHBondContact O-N 2.68Å; L219-H222 PolarHBondContact O-CD2 2.99Å; L219-H222 VanDerWaalsContact O-CD2 3.27Å; L219-H222 PolarHBondContact O-N 2.78Å
220L95.6Very high95.8Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-66.9-25.5178.9-64.6176.6000112.7I210 T216 H222 T223 F225 L227 I351I210-L220 HydrophobicContact CD1-CD2 3.76Å; T216-L220 HydrophobicContact CG2-CD1 3.71Å; T216-L220 HydrophobicContact CG2-CG 4.12Å; T216-L220 WeakPolarHBondContact O-CG 3.23Å; T216-L220 PolarHBondContact O-N 3.14Å; L220-H222 PolarHBondContact O-N 3.38Å; L220-H222 VanDerWaalsContact O-N 3.16Å; L220-T223 PolarHBondContact O-N 2.89Å; L220-T223 PolarHBondContact O-OG1 3.4Å; L220-F225 CarbonylContact C-O 3.58Å; L220-F225 HydrophobicContact CB-CD1 4.43Å; L220-F225 WeakPolarHBondContact CB-O 3.43Å; L220-F225 HydrophobicContact CD1-CD1 3.94Å; L220-F225 HydrophobicContact CD1-CE1 4.15Å; L220-F225 HydrophobicContact CD2-CD1 4.33Å; L220-F225 HydrophobicContact CG-CD1 4.47Å; L220-F225 PolarHBondContact O-N 3.18Å; L220-L227 HydrophobicContact CD1-CD1 3.79Å; L220-L227 HydrophobicContact CD1-CG 3.95Å; L220-I351 HydrophobicContact CD1-CD1 4.22Å; L220-I351 HydrophobicContact CD2-CD1 3.6Å; L220-I351 HydrophobicContact CD2-CG1 4.09Å
221A93.4Very high95.8Very high49 Ų4933.8 Ų33.841%0.40520%0.197SC..G310 helixtrans-56.7-31.4175.400000112.7N217 L219 T223 G224N217-A221 WeakPolarHBondContact O-CB 3.41Å; N217-A221 PolarHBondContact O-N 3.21Å; L219-A221 PolarHBondContact O-N 2.68Å; A221-T223 PolarHBondContact O-N 3.04Å; A221-G224 PolarHBondContact O-N 3.48Å
222H89.4Confident95.8Very high87 Ų8733.4 Ų33.440%0.40319%0.194SC..G310 helixtrans-65.2-19.3175.7-59-63.2000113.7T186 L219 L220T186-H222 PolarHBondContact O-CE1 3.4Å; T186-H222 PolarHBondContact O-NE2 3.49Å; T186-H222 VanDerWaalsContact O-NE2 3.16Å; L219-H222 PolarHBondContact O-CD2 2.99Å; L219-H222 VanDerWaalsContact O-CD2 3.27Å; L219-H222 PolarHBondContact O-N 2.78Å; L220-H222 PolarHBondContact O-N 3.38Å; L220-H222 VanDerWaalsContact O-N 3.16Å
223T89.3Confident95.7Very high14 Ų1433.7 Ų33.79%0.08619%0.193CC..G310 helixtrans-103.36.8178.968.80000113P190 L220 A221 F225 H343P190-T223 HydrophobicContact CG-CG2 3.83Å; L220-T223 PolarHBondContact O-N 2.89Å; L220-T223 PolarHBondContact O-OG1 3.4Å; A221-T223 PolarHBondContact O-N 3.04Å; T223-F225 VanDerWaalsContact C-N 3.29Å; T223-F225 PolarHBondContact O-N 2.95Å; T223-H343 PolarHBondContact OG1-NE2 2.88Å
224G90.1Very high95.7Very high60 Ų6032.9 Ų32.962%0.61918%0.184SC*.THydrogen-bonded Turntrans72.319.9-177.200000113.9A221A221-G224 PolarHBondContact O-N 3.48Å
225F92.5Very high95.6Very high21 Ų2132.5 Ų32.59%0.09218%0.182CC..  trans-124.3146-176-178.6-112.3000111.6L220 T223 L227 H343 P344 I351 I388 M395L220-F225 CarbonylContact C-O 3.58Å; L220-F225 HydrophobicContact CB-CD1 4.43Å; L220-F225 WeakPolarHBondContact CB-O 3.43Å; L220-F225 HydrophobicContact CD1-CD1 3.94Å; L220-F225 HydrophobicContact CD1-CE1 4.15Å; L220-F225 HydrophobicContact CD2-CD1 4.33Å; L220-F225 HydrophobicContact CG-CD1 4.47Å; L220-F225 PolarHBondContact O-N 3.18Å; T223-F225 VanDerWaalsContact C-N 3.29Å; T223-F225 PolarHBondContact O-N 2.95Å; F225-L227 HydrophobicContact CE1-CD2 3.69Å; F225-L227 HydrophobicContact CE1-CG 3.79Å; F225-L227 HydrophobicContact CZ-CD2 3.63Å; F225-L227 HydrophobicContact CZ-CG 4.17Å; F225-H343 WeakPolarHBondContact CB-NE2 3.44Å; F225-H343 AromaticContact CG-NE2 3.95Å; F225-P344 HydrophobicContact CD2-CG 4.12Å; F225-P344 HydrophobicContact CE1-CG 4.4Å; F225-P344 HydrophobicContact CE2-CG 3.75Å; F225-P344 HydrophobicContact CZ-CG 3.91Å; F225-I351 HydrophobicContact CD1-CD1 4.44Å; F225-I351 HydrophobicContact CE1-CD1 4.23Å; F225-I388 HydrophobicContact CE1-CD1 4.24Å; F225-I388 HydrophobicContact CE2-CG2 4.47Å; F225-I388 HydrophobicContact CZ-CD1 4.34Å; F225-I388 HydrophobicContact CZ-CG2 3.72Å; F225-M395 HydrophobicContact CE2-SD 3.91Å
226Q94.6Very high95.6Very high118 Ų11832.3 Ų32.355%0.55118%0.182SC*.  trans-141.4145173.4-67.6-169.83.300110.9
227L96.6Very high95.6Very high8 Ų832.3 Ų32.34%0.04218%0.182CC..  trans-97.8153.4170.8-68.4169.7000110T216 N217 L220 F225 L229 V339 I351 A353 I388T216-L227 HydrophobicContact CG2-CD1 4.46Å; N217-L227 PolarHBondContact ND2-O 2.82Å; N217-L227 PolarHBondContact OD1-N 3.22Å; L220-L227 HydrophobicContact CD1-CD1 3.79Å; L220-L227 HydrophobicContact CD1-CG 3.95Å; F225-L227 HydrophobicContact CE1-CD2 3.69Å; F225-L227 HydrophobicContact CE1-CG 3.79Å; F225-L227 HydrophobicContact CZ-CD2 3.63Å; F225-L227 HydrophobicContact CZ-CG 4.17Å; L227-L229 HydrophobicContact CB-CD1 3.97Å; L227-L229 HydrophobicContact CB-CD2 4.24Å; L227-L229 HydrophobicContact CB-CG 3.67Å; L227-L229 HydrophobicContact CD1-CD1 4.2Å; L227-L229 PolarHBondContact O-N 3.47Å; L227-V339 HydrophobicContact CD1-CB 4.46Å; L227-V339 HydrophobicContact CD1-CG1 3.99Å; L227-V339 HydrophobicContact CD1-CG2 4.49Å; L227-V339 HydrophobicContact CD2-CG1 4.25Å; L227-I351 HydrophobicContact CD1-CG2 4.05Å; L227-A353 HydrophobicContact CD1-CB 4.12Å; L227-I388 HydrophobicContact CD2-CD1 4.29Å; L227-I388 HydrophobicContact CD2-CG1 4.03Å; L227-I388 HydrophobicContact CD2-CG2 4.1Å
228P96.9Very high95.6Very high37 Ų3730.7 Ų30.724%0.2417%0.174CC..  trans-75.865.1175.433.4-36.5000110.9P334 F391 H394P228-P334 HydrophobicContact CB-CG 3.77Å; P228-P334 HydrophobicContact CG-CG 3.86Å; P228-P334 VanDerWaalsContact O-CD 3.3Å; P228-P334 WeakPolarHBondContact O-CD 3.06Å; P228-F391 HydrophobicContact CG-CB 4.01Å; P228-F391 HydrophobicContact CG-CD1 4.07Å; P228-F391 HydrophobicContact CG-CD2 3.86Å; P228-F391 HydrophobicContact CG-CE2 4.3Å; P228-F391 HydrophobicContact CG-CG 3.72Å; P228-H394 HydrophobicContact CB-CB 4.48Å
229L98Very high95.8Very high31 Ų3127 Ų2716%0.16216%0.158CC..  trans-98.2134.7-177.7-58.7177.7000111T216 L227 T331 L332 T333 A353T216-L229 HydrophobicContact CG2-CD1 4.15Å; L227-L229 HydrophobicContact CB-CD1 3.97Å; L227-L229 HydrophobicContact CB-CD2 4.24Å; L227-L229 HydrophobicContact CB-CG 3.67Å; L227-L229 HydrophobicContact CD1-CD1 4.2Å; L227-L229 PolarHBondContact O-N 3.47Å; L229-T331 HydrophobicContact CB-CG2 3.93Å; L229-T331 HydrophobicContact CD1-CG2 4.06Å; L229-T331 HydrophobicContact CD2-CG2 4.29Å; L229-T331 HydrophobicContact CG-CG2 4.3Å; L229-L332 CarbonylContact C-O 3.59Å; L229-L332 VanDerWaalsContact CA-O 3.32Å; L229-L332 WeakPolarHBondContact CA-O 3.36Å; L229-T333 HydrophobicContact CD2-CG2 3.65Å; L229-A353 HydrophobicContact CD1-CB 4.23Å
230E98.1Very high95.9Very high79 Ų7932 Ų3237%0.36918%0.179SC..EExtended strand (participates in β ladder)trans-116.1128170-175.8164.18900110.7V232 K289 T331 L332E230-V232 HydrophobicContact CG-CG1 4.34Å; E230-K289 HydrophobicContact CG-CD 4.48Å; E230-K289 HydrophobicContact CG-CG 4.3Å; E230-K289 WeakPolarHBondContact OE2-CD 3.28Å; E230-K289 WeakPolarHBondContact OE2-CE 3.34Å; E230-K289 IonicContact OE2-NZ 4Å; E230-K289 PolarHBondContact OE2-NZ 2.98Å; E230-T331 CarbonylContact O-C 3.56Å; E230-T331 WeakPolarHBondContact O-CA 3.34Å; E230-L332 PolarHBondContact N-O 3.39Å; E230-L332 PolarHBondContact O-N 3.28Å
231T98.4Very high96Very high15 Ų1532.2 Ų32.29%0.09218%0.179CC..EExtended strand (participates in β ladder)trans-94.3131173.6-61.10000109.9P214 K289 T290 P292 M329 Y330P214-T231 HydrophobicContact CB-CG2 3.86Å; P214-T231 HydrophobicContact CG-CG2 4.31Å; T231-K289 WeakPolarHBondContact O-CA 3.09Å; T231-T290 HydrophobicContact CG2-CG2 3.92Å; T231-T290 PolarHBondContact O-N 3.49Å; T231-P292 HydrophobicContact CG2-CB 4.32Å; T231-M329 HydrophobicContact CG2-CB 4.31Å; T231-M329 HydrophobicContact CG2-CG 4.3Å; T231-M329 HydrophobicContact CG2-SD 3.78Å; T231-Y330 WeakPolarHBondContact CA-O 3.38Å
232V97.9Very high96.2Very high2 Ų235.6 Ų35.61%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-124.8141175.1-61.10000110.1E230 I234 S288 M329 Y330 L332E230-V232 HydrophobicContact CG-CG1 4.34Å; V232-I234 HydrophobicContact CG2-CD1 3.8Å; V232-S288 CarbonylContact C-O 3.59Å; V232-S288 VanDerWaalsContact CA-O 3.29Å; V232-S288 WeakPolarHBondContact CA-O 3.42Å; V232-M329 VanDerWaalsContact O-CA 3.22Å; V232-M329 WeakPolarHBondContact O-CA 3.32Å; V232-Y330 PolarHBondContact N-O 3.09Å; V232-Y330 PolarHBondContact O-N 3.27Å; V232-L332 HydrophobicContact CG1-CD1 4.02Å; V232-L332 HydrophobicContact CG2-CD1 4.07Å; V232-L332 HydrophobicContact CG2-CG 4.2Å
233K97.6Very high96.5Very high20 Ų2035.8 Ų35.89%0.08719%0.193CC..EExtended strand (participates in β ladder)trans-76.3136168-179.4-169.8173.3-159.70108.2N235 G287 S288 T290 R295 Q298 S327 C328K233-N235 WeakPolarHBondContact CE-OD1 3.41Å; K233-N235 PolarHBondContact NZ-OD1 3.09Å; K233-G287 CarbonylContact O-C 3.31Å; K233-G287 VanDerWaalsContact O-CA 3.24Å; K233-G287 WeakPolarHBondContact O-CA 3.45Å; K233-S288 PolarHBondContact N-O 3.02Å; K233-S288 PolarHBondContact O-N 3.49Å; K233-T290 HydrophobicContact CB-CG2 4.03Å; K233-R295 HydrophobicContact CB-CG 4.25Å; K233-R295 HydrophobicContact CD-CG 4.46Å; K233-R295 HydrophobicContact CG-CG 4Å; K233-Q298 HydrophobicContact CB-CB 4.4Å; K233-Q298 HydrophobicContact CB-CG 4.1Å; K233-Q298 HydrophobicContact CD-CB 3.86Å; K233-Q298 HydrophobicContact CD-CG 3.91Å; K233-Q298 WeakPolarHBondContact CD-O 3.4Å; K233-Q298 PolarHBondContact NZ-O 3.11Å; K233-S327 WeakPolarHBondContact CE-OG 3.25Å; K233-C328 WeakPolarHBondContact CA-O 3.33Å
234I97.3Very high96.7Very high0 Ų039.2 Ų39.20%022%0.215CC..EExtended strand (participates in β ladder)trans-113.7126.2175.6-55.1-59.9000108.8V232 V236 S327 C328 Y330V232-I234 HydrophobicContact CG2-CD1 3.8Å; I234-V236 HydrophobicContact CG2-CG2 4.46Å; I234-S327 WeakPolarHBondContact O-CA 3.45Å; I234-C328 HydrophobicContact CB-CB 4.36Å; I234-C328 PolarHBondContact N-O 2.92Å; I234-C328 PolarHBondContact O-N 3.39Å; I234-Y330 HydrophobicContact CD1-CD1 4.38Å; I234-Y330 HydrophobicContact CD1-CD2 3.54Å; I234-Y330 HydrophobicContact CD1-CE2 3.86Å; I234-Y330 HydrophobicContact CD1-CG 3.83Å; I234-Y330 HydrophobicContact CG1-CD1 3.69Å; I234-Y330 HydrophobicContact CG1-CD2 3.78Å; I234-Y330 HydrophobicContact CG1-CE1 3.92Å; I234-Y330 HydrophobicContact CG1-CE2 4.01Å; I234-Y330 HydrophobicContact CG1-CG 3.61Å
235N96.9Very high96.8Very high5 Ų537.4 Ų37.43%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-83.6124.5169.8-61.5-47.7000109.2K233 D300 D303 I304 V325K233-N235 WeakPolarHBondContact CE-OD1 3.41Å; K233-N235 PolarHBondContact NZ-OD1 3.09Å; N235-D300 PolarHBondContact ND2-O 2.93Å; N235-D303 WeakPolarHBondContact CB-OD2 3.29Å; N235-D303 PolarHBondContact ND2-OD1 3.48Å; N235-D303 PolarHBondContact ND2-OD2 3.4Å; N235-D303 VanDerWaalsContact ND2-OD2 3.12Å; N235-I304 HydrophobicContact CB-CD1 4.39Å; N235-I304 HydrophobicContact CB-CG1 4.33Å; N235-V325 HydrophobicContact CB-CG1 4.07Å
236V96.9Very high96.8Very high9 Ų938 Ų386%0.05520%0.202CC..EExtended strand (participates in β ladder)trans-104.1103.9-179.9-179.30000108I234 Y238 K281 V325 E326 C328I234-V236 HydrophobicContact CG2-CG2 4.46Å; V236-Y238 HydrophobicContact CG1-CE2 3.69Å; V236-K281 HydrophobicContact CG1-CD 4.24Å; V236-K281 HydrophobicContact CG1-CG 4.38Å; V236-V325 WeakPolarHBondContact O-CA 3.34Å; V236-E326 HydrophobicContact CB-CB 4.12Å; V236-E326 PolarHBondContact N-O 3.38Å; V236-E326 PolarHBondContact O-N 2.94Å; V236-C328 HydrophobicContact CG2-CB 4.04Å
237C98.1Very high96.9Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-100.8137.9-170.6-600000112.2W239 I282 C283 L307 P322C237-W239 HydrophobicContact CB-CZ2 3.98Å; C237-I282 WeakPolarHBondContact CB-O 3.25Å; C237-I282 PolarHBondContact O-N 3.05Å; C237-I282 VanDerWaalsContact O-O 3.06Å; C237-C283 PolarHBondContact N-SG 2.94Å; C237-C283 VanDerWaalsContact N-SG 3.45Å; C237-L307 HydrophobicContact CB-CD1 4.28Å; C237-P322 HydrophobicContact CB-CB 4.13Å
238Y98.6Very high96.7Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-119.6131.3176.7-61.6-97.1000109.9V236 E275 Y276 V280 K281 P322 A323 V324 E326V236-Y238 HydrophobicContact CG1-CE2 3.69Å; Y238-E275 HydrophobicContact CE1-CB 4.12Å; Y238-E275 HydrophobicContact CE1-CG 4.44Å; Y238-E275 WeakPolarHBondContact CE1-OE2 3.36Å; Y238-E275 VanDerWaalsContact CZ-OE2 3.28Å; Y238-E275 PolarHBondContact OH-OE2 2.97Å; Y238-Y276 AromaticContact CD1-CD2 3.56Å; Y238-Y276 HydrophobicContact CD1-CD2 3.56Å; Y238-Y276 HydrophobicContact CD1-CE2 4.04Å; Y238-Y276 HydrophobicContact CD2-CD2 4.37Å; Y238-Y276 HydrophobicContact CD2-CE2 4.16Å; Y238-Y276 AromaticContact CE1-CD2 3.6Å; Y238-Y276 HydrophobicContact CE1-CD2 3.6Å; Y238-Y276 AromaticContact CE1-CE2 3.76Å; Y238-Y276 HydrophobicContact CE1-CE2 3.76Å; Y238-Y276 HydrophobicContact CE2-CD2 4.44Å; Y238-Y276 AromaticContact CE2-CE2 3.94Å; Y238-Y276 HydrophobicContact CE2-CE2 3.94Å; Y238-Y276 AromaticContact CG-CD2 3.96Å; Y238-Y276 HydrophobicContact CG-CD2 3.96Å; Y238-Y276 HydrophobicContact CG-CE2 4.22Å; Y238-Y276 AromaticContact CZ-CE2 3.73Å; Y238-V280 CarbonylContact C-O 3.55Å; Y238-V280 WeakPolarHBondContact CA-O 3.42Å; Y238-K281 HydrophobicContact CD1-CB 3.94Å; Y238-K281 HydrophobicContact CD1-CG 4.44Å; Y238-K281 HydrophobicContact CE1-CB 3.82Å; Y238-K281 HydrophobicContact CE1-CD 3.79Å; Y238-K281 HydrophobicContact CE1-CG 4.03Å; Y238-K281 PolarHBondContact OH-NZ 3.3Å; Y238-P322 CarbonylContact O-C 3.55Å; Y238-P322 WeakPolarHBondContact O-CA 3.18Å; Y238-A323 PolarHBondContact O-N 2.8Å; Y238-V324 HydrophobicContact CD2-CB 4.01Å; Y238-V324 HydrophobicContact CD2-CG1 4.08Å; Y238-V324 HydrophobicContact CG-CB 4.36Å; Y238-V324 PolarHBondContact N-O 3.06Å; Y238-V324 PolarHBondContact O-N 2.76Å; Y238-E326 HydrophobicContact CE2-CG 4.14Å
239W98.6Very high96.3Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-120.2128.1-166.9-56.681.4000109.4C237 L279 V280 I282 L307 K308 V311 L318 P322C237-W239 HydrophobicContact CB-CZ2 3.98Å; W239-L279 CarbonylContact O-C 3.28Å; W239-L279 WeakPolarHBondContact O-CA 3.26Å; W239-V280 PolarHBondContact N-O 3.2Å; W239-V280 PolarHBondContact O-N 3.34Å; W239-I282 HydrophobicContact CG-CD1 4.49Å; W239-I282 PolarHBondContact NE1-O 2.9Å; W239-I282 VanDerWaalsContact NE1-O 3.08Å; W239-L307 HydrophobicContact CH2-CB 3.92Å; W239-L307 HydrophobicContact CZ2-CB 3.48Å; W239-L307 VanDerWaalsContact CZ2-CB 3.48Å; W239-L307 HydrophobicContact CZ2-CD1 4.2Å; W239-L307 HydrophobicContact CZ2-CG 4.49Å; W239-K308 HydrophobicContact CH2-CB 4.34Å; W239-K308 HydrophobicContact CH2-CG 3.71Å; W239-K308 HydrophobicContact CZ3-CG 3.98Å; W239-V311 HydrophobicContact CD2-CG1 4.37Å; W239-V311 HydrophobicContact CD2-CG2 3.86Å; W239-V311 HydrophobicContact CE3-CB 4.18Å; W239-V311 HydrophobicContact CE3-CG1 3.92Å; W239-V311 HydrophobicContact CE3-CG2 3.98Å; W239-V311 HydrophobicContact CG-CG2 4.37Å; W239-V311 HydrophobicContact CH2-CG2 4.32Å; W239-V311 HydrophobicContact CZ2-CG2 4.22Å; W239-V311 HydrophobicContact CZ3-CB 4.24Å; W239-V311 HydrophobicContact CZ3-CG1 4.37Å; W239-V311 HydrophobicContact CZ3-CG2 4.2Å; W239-L318 HydrophobicContact CB-CB 4.4Å; W239-L318 HydrophobicContact CB-CD1 3.95Å; W239-P322 HydrophobicContact CH2-CB 4.48Å; W239-P322 HydrophobicContact CZ2-CB 4.36Å
240K98.4Very high95.7Very high118 Ų11839.3 Ų39.351%0.51320%0.204SC..EExtended strand (participates in β ladder)trans-73.1131.3-175-175.6173-179.5176.90111.3L279 L318 V319 A323K240-L279 HydrophobicContact CB-CD2 3.79Å; K240-L279 HydrophobicContact CG-CD2 4.14Å; K240-L318 WeakPolarHBondContact O-CA 3.38Å; K240-V319 HydrophobicContact CB-CB 4.33Å; K240-V319 HydrophobicContact CB-CG2 4.19Å; K240-V319 PolarHBondContact O-N 2.76Å; K240-A323 HydrophobicContact CB-CB 4.39Å
241E97.9Very high95.3Very high3 Ų340.8 Ų40.81%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-67.4131.6169.7-59.2-175.1170.900110.5T243 G245 T246 Y247 S273 D278 V280 L318E241-T243 VanDerWaalsContact C-N 3.3Å; E241-G245 WeakPolarHBondContact OE2-CA 3.27Å; E241-G245 PolarHBondContact OE2-N 2.66Å; E241-T246 PolarHBondContact OE2-N 3.14Å; E241-Y247 HydrophobicContact CG-CD2 3.96Å; E241-Y247 WeakPolarHBondContact OE1-CA 3.39Å; E241-Y247 WeakPolarHBondContact OE1-CB 3.12Å; E241-Y247 PolarHBondContact OE1-N 2.92Å; E241-S273 VanDerWaalsContact OE1-CB 3.27Å; E241-S273 WeakPolarHBondContact OE1-CB 3.42Å; E241-S273 PolarHBondContact OE1-OG 3.14Å; E241-D278 WeakPolarHBondContact CG-O 3.01Å; E241-D278 PolarHBondContact N-O 2.77Å; E241-V280 HydrophobicContact CG-CG2 3.93Å; E241-L318 HydrophobicContact CB-CD2 4.44Å; E241-L318 HydrophobicContact CG-CD2 3.97Å
242K97.5Very high94.9Very high120 Ų12050.5 Ų50.552%0.52225%0.246SC..SBendtrans-68-35.6172.4-69.8175.1176.3162.80111.2P316 G317 L318 V319K242-P316 WeakPolarHBondContact CD-O 3.23Å; K242-P316 PolarHBondContact NZ-O 2.72Å; K242-G317 VanDerWaalsContact CB-O 3.3Å; K242-G317 WeakPolarHBondContact CB-O 3.41Å; K242-G317 WeakPolarHBondContact CG-O 3.4Å; K242-G317 PolarHBondContact N-O 3.23Å; K242-L318 WeakPolarHBondContact CE-O 3.3Å; K242-L318 PolarHBondContact NZ-O 3.02Å; K242-V319 HydrophobicContact CG-CG2 4.08Å
243T96.1Very high94.8Very high92 Ų9251 Ų5156%0.56425%0.248SC*.SBendtrans-119.8110173.9-57.80000108.4E241 T246E241-T243 VanDerWaalsContact C-N 3.3Å; T243-T246 WeakPolarHBondContact CB-OG1 3.28Å; T243-T246 WeakPolarHBondContact O-CB 3.41Å; T243-T246 PolarHBondContact O-N 3.12Å; T243-T246 PolarHBondContact O-OG1 3.26Å
244P94.4Very high94.8Very high85 Ų8550.3 Ų50.355%0.55225%0.245SC*.THydrogen-bonded Turntrans-52.3136.8-179.1-31.938.3000114.2
245G91.2Very high94.8Very high22 Ų2250.3 Ų50.323%0.22725%0.245CC..THydrogen-bonded Turntrans80.35.6-178.200000115E241 Y247 Q251E241-G245 WeakPolarHBondContact OE2-CA 3.27Å; E241-G245 PolarHBondContact OE2-N 2.66Å; G245-Y247 PolarHBondContact O-N 3.25Å; G245-Q251 WeakPolarHBondContact O-CG 3.37Å; G245-Q251 PolarHBondContact O-NE2 3.02Å; G245-Q251 PolarHBondContact O-OE1 2.83Å
246T93.9Very high94.9Very high35 Ų3550.2 Ų50.222%0.21525%0.245CC..THydrogen-bonded Turntrans-66.8-40.5-176.3-62.80000112.2N141 E241 T243N141-T246 HydrophobicContact CB-CG2 4.17Å; N141-T246 WeakPolarHBondContact ND2-CG2 3.36Å; E241-T246 PolarHBondContact OE2-N 3.14Å; T243-T246 WeakPolarHBondContact CB-OG1 3.28Å; T243-T246 WeakPolarHBondContact O-CB 3.41Å; T243-T246 PolarHBondContact O-N 3.12Å; T243-T246 PolarHBondContact O-OG1 3.26Å
247Y95.6Very high95Very high0 Ų050.3 Ų50.30%025%0.245CC..THydrogen-bonded Turntrans-115.527.4-173.9-55.5-80000111.3N141 V142 E241 G245 F253 P272 S273 V280 I315 G317 L318N141-Y247 HydrophobicContact CB-CE1 3.87Å; N141-Y247 WeakPolarHBondContact CB-OH 3.35Å; N141-Y247 PolarHBondContact O-OH 2.88Å; V142-Y247 HydrophobicContact CG2-CE1 4.29Å; E241-Y247 HydrophobicContact CG-CD2 3.96Å; E241-Y247 WeakPolarHBondContact OE1-CA 3.39Å; E241-Y247 WeakPolarHBondContact OE1-CB 3.12Å; E241-Y247 PolarHBondContact OE1-N 2.92Å; G245-Y247 PolarHBondContact O-N 3.25Å; Y247-F253 HydrophobicContact CD1-CD1 4.32Å; Y247-F253 AromaticContact CD1-CD2 3.78Å; Y247-F253 HydrophobicContact CD1-CD2 3.78Å; Y247-F253 HydrophobicContact CD1-CE1 4.06Å; Y247-F253 AromaticContact CD1-CE2 3.52Å; Y247-F253 HydrophobicContact CD1-CE2 3.52Å; Y247-F253 HydrophobicContact CD1-CG 4.19Å; Y247-F253 AromaticContact CD1-CZ 3.66Å; Y247-F253 HydrophobicContact CD1-CZ 3.66Å; Y247-F253 HydrophobicContact CE1-CE2 4.13Å; Y247-F253 HydrophobicContact CE1-CZ 4.34Å; Y247-F253 WeakPolarHBondContact O-CB 3.48Å; Y247-P272 CarbonylContact O-C 3.56Å; Y247-P272 VanDerWaalsContact O-CA 3.26Å; Y247-P272 WeakPolarHBondContact O-CA 3.45Å; Y247-P272 VanDerWaalsContact O-CB 3.25Å; Y247-P272 WeakPolarHBondContact O-CB 3.37Å; Y247-S273 PolarHBondContact O-N 3.38Å; Y247-S273 PolarHBondContact O-OG 2.98Å; Y247-V280 VanDerWaalsContact CB-CG2 3.43Å; Y247-V280 HydrophobicContact CD2-CG2 4.08Å; Y247-V280 HydrophobicContact CG-CG2 4.02Å; Y247-I315 HydrophobicContact CD1-CG2 4.39Å; Y247-I315 HydrophobicContact CE1-CG2 3.61Å; Y247-I315 HydrophobicContact CE2-CG2 4.12Å; Y247-I315 VanDerWaalsContact CZ-CG2 3.43Å; Y247-I315 WeakPolarHBondContact OH-CG2 3.17Å; Y247-G317 VanDerWaalsContact OH-CA 3.25Å; Y247-G317 WeakPolarHBondContact OH-CA 3.15Å; Y247-G317 PolarHBondContact OH-N 2.61Å; Y247-L318 HydrophobicContact CD2-CD2 3.72Å; Y247-L318 HydrophobicContact CD2-CG 4.38Å; Y247-L318 HydrophobicContact CE2-CD2 3.75Å; Y247-L318 HydrophobicContact CE2-CG 4.02Å
248G92.8Very high94.9Very high4 Ų450.5 Ų50.54%0.04125%0.246CC..BIsolated β-bridgetrans-81.9156.5-177.100000114K250 Q251 R252 F253 S273G248-K250 PolarHBondContact O-N 3.06Å; G248-Q251 PolarHBondContact O-N 3.24Å; G248-R252 PolarHBondContact O-N 3.34Å; G248-F253 PolarHBondContact O-N 2.96Å; G248-S273 WeakPolarHBondContact CA-OG 3.18Å; G248-S273 PolarHBondContact N-OG 3.47Å
249V87.3Confident94.7Very high28 Ų2851 Ų5117%0.1725%0.249CC..G310 helixtrans-55.7-30.4171-75.60000113.2T100 Q251 R252 P272 S273 N274T100-V249 HydrophobicContact CG2-CG1 4.32Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-R252 PolarHBondContact O-N 3.14Å; V249-P272 HydrophobicContact CG1-CB 3.94Å; V249-P272 HydrophobicContact CG1-CG 3.57Å; V249-S273 PolarHBondContact N-O 2.7Å; V249-N274 HydrophobicContact CG1-CB 3.95Å; V249-N274 HydrophobicContact CG2-CB 4.37Å
250K87.1Confident94.1Very high189 Ų18951.6 Ų51.682%0.82226%0.255SS*.G310 helixtrans-71.5-28.7178.8-68.4-177.2-179177.90112.1G248 R252G248-K250 PolarHBondContact O-N 3.06Å; K250-R252 PolarHBondContact O-N 3.03Å
251Q88.8Confident93.3Very high110 Ų11046.9 Ų46.951%0.51424%0.238SC..G310 helixtrans-87.67.9175.4-7270.321.900111.9G245 G248 V249 F253G245-Q251 WeakPolarHBondContact O-CG 3.37Å; G245-Q251 PolarHBondContact O-NE2 3.02Å; G245-Q251 PolarHBondContact O-OE1 2.83Å; G248-Q251 PolarHBondContact O-N 3.24Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; Q251-F253 PolarHBondContact O-N 2.99Å
252R89.8Confident92.5Very high218 Ų21853.2 Ų53.282%0.82327%0.271SS*.THydrogen-bonded Turntrans57.329.9-179.5-53.2-179.3179.7-176.9-0.5112.9G248 V249 K250G248-R252 PolarHBondContact O-N 3.34Å; V249-R252 PolarHBondContact O-N 3.14Å; K250-R252 PolarHBondContact O-N 3.03Å
253F96Very high91.8Very high13 Ų1349.2 Ų49.26%0.05725%0.254CS..PPolyproline II helixtrans-64.6128172.3-170.1-106.5000109.4I139 V142 Y247 G248 Q251 F256 P272I139-F253 HydrophobicContact CG2-CE2 4.21Å; V142-F253 HydrophobicContact CG2-CE2 3.65Å; V142-F253 HydrophobicContact CG2-CZ 3.88Å; Y247-F253 HydrophobicContact CD1-CD1 4.32Å; Y247-F253 AromaticContact CD1-CD2 3.78Å; Y247-F253 HydrophobicContact CD1-CD2 3.78Å; Y247-F253 HydrophobicContact CD1-CE1 4.06Å; Y247-F253 AromaticContact CD1-CE2 3.52Å; Y247-F253 HydrophobicContact CD1-CE2 3.52Å; Y247-F253 HydrophobicContact CD1-CG 4.19Å; Y247-F253 AromaticContact CD1-CZ 3.66Å; Y247-F253 HydrophobicContact CD1-CZ 3.66Å; Y247-F253 HydrophobicContact CE1-CE2 4.13Å; Y247-F253 HydrophobicContact CE1-CZ 4.34Å; Y247-F253 WeakPolarHBondContact O-CB 3.48Å; G248-F253 PolarHBondContact O-N 2.96Å; Q251-F253 PolarHBondContact O-N 2.99Å; F253-F256 HydrophobicContact CE1-CD1 4.1Å; F253-F256 HydrophobicContact CE1-CE1 4.09Å; F253-F256 HydrophobicContact CZ-CD1 4.27Å; F253-F256 HydrophobicContact CZ-CE1 4.31Å; F253-P272 HydrophobicContact CB-CB 4.21Å; F253-P272 HydrophobicContact CD1-CB 4.02Å; F253-P272 WeakPolarHBondContact O-CB 3.44Å
254P97.2Very high91Very high5 Ų545.3 Ų45.33%0.03223%0.23CC..PPolyproline II helixtrans-79.7163.4-17334.3-37.5000111.6T100 L103 I139 L152T100-P254 WeakPolarHBondContact O-CA 3.41Å; T100-P254 WeakPolarHBondContact O-CB 3.27Å; L103-P254 HydrophobicContact CB-CB 4.37Å; L103-P254 HydrophobicContact CB-CG 3.9Å; I139-P254 HydrophobicContact CD1-CG 3.97Å; L152-P254 HydrophobicContact CD1-CB 4.15Å
255C98.4Very high90.3Very high0 Ų050.9 Ų50.90%025%0.246CC..EExtended strand (participates in β ladder)trans-62.8155.7155-70.10000108.2I64 T100 G101 L102 L103 G157 V158 G270I64-C255 HydrophobicContact CD1-CB 4.31Å; I64-C255 HydrophobicContact CG1-CB 4.11Å; T100-C255 PolarHBondContact OG1-N 2.92Å; G101-C255 PolarHBondContact O-N 3.4Å; G101-C255 VanDerWaalsContact O-N 3.13Å; L102-C255 CarbonylContact C-O 3.45Å; L102-C255 WeakPolarHBondContact CA-O 3.14Å; L102-C255 HydrophobicContact CD1-CB 3.67Å; L103-C255 PolarHBondContact N-O 3.09Å; G157-C255 PolarHBondContact O-SG 2.78Å; G157-C255 VanDerWaalsContact O-SG 3.35Å; V158-C255 WeakPolarHBondContact CG2-SG 3.24Å; C255-G270 CarbonylContact C-O 3.55Å; C255-G270 WeakPolarHBondContact CA-O 2.96Å
256F98.4Very high90.4Very high4 Ų451.8 Ų51.82%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-141.9155173.366.1-92.4000113.6L103 M105 F253 V258 Y269 G270 I282 Y310 I315L103-F256 HydrophobicContact CB-CB 3.98Å; L103-F256 CarbonylContact O-C 3.49Å; L103-F256 WeakPolarHBondContact O-CA 3.27Å; L103-F256 WeakPolarHBondContact O-CB 3.28Å; M105-F256 HydrophobicContact CE-CB 4.26Å; M105-F256 HydrophobicContact CE-CD2 4.21Å; M105-F256 HydrophobicContact CE-CG 4.43Å; F253-F256 HydrophobicContact CE1-CD1 4.1Å; F253-F256 HydrophobicContact CE1-CE1 4.09Å; F253-F256 HydrophobicContact CZ-CD1 4.27Å; F253-F256 HydrophobicContact CZ-CE1 4.31Å; F256-V258 HydrophobicContact CD2-CG2 4.23Å; F256-Y269 CarbonylContact O-C 3.53Å; F256-Y269 VanDerWaalsContact O-CA 3.26Å; F256-Y269 WeakPolarHBondContact O-CA 3.38Å; F256-G270 PolarHBondContact N-O 3.49Å; F256-G270 PolarHBondContact O-N 2.81Å; F256-I282 HydrophobicContact CE1-CG1 4.45Å; F256-I282 HydrophobicContact CE2-CG2 4.43Å; F256-I282 HydrophobicContact CZ-CD1 4.09Å; F256-I282 HydrophobicContact CZ-CG1 3.93Å; F256-I282 HydrophobicContact CZ-CG2 4.07Å; F256-Y310 HydrophobicContact CE2-CE1 4.3Å; F256-I315 HydrophobicContact CE1-CD1 4.14Å; F256-I315 HydrophobicContact CE2-CD1 4.48Å; F256-I315 HydrophobicContact CZ-CD1 3.71Å
257V98.2Very high90.5Very high11 Ų1151.4 Ų51.47%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-132.1131167.2170.50000108.2I64 L102 L103 V104 M105 T259 H267 I268I64-V257 HydrophobicContact CD1-CG2 4.2Å; L102-V257 HydrophobicContact CD1-CG2 4.18Å; L103-V257 PolarHBondContact O-N 3.45Å; V104-V257 WeakPolarHBondContact CA-O 3.25Å; M105-V257 PolarHBondContact N-O 2.68Å; V257-T259 HydrophobicContact CG1-CG2 3.98Å; V257-H267 HydrophobicContact CG1-CB 4.26Å; V257-I268 CarbonylContact C-O 3.48Å; V257-I268 WeakPolarHBondContact CA-O 3.48Å
258V97.4Very high90.6Very high4 Ų451.4 Ų51.42%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-104.1113.9169.1-175.60000107.8M105 F256 G260 H267 I268 Y310M105-V258 HydrophobicContact CB-CG2 4.39Å; M105-V258 HydrophobicContact CE-CG2 3.78Å; M105-V258 CarbonylContact O-C 3.59Å; M105-V258 VanDerWaalsContact O-CA 3.24Å; M105-V258 WeakPolarHBondContact O-CA 3.26Å; F256-V258 HydrophobicContact CD2-CG2 4.23Å; V258-G260 VanDerWaalsContact C-N 3.34Å; V258-G260 WeakPolarHBondContact CG1-O 3.49Å; V258-H267 WeakPolarHBondContact O-CA 3.45Å; V258-I268 HydrophobicContact CB-CB 4.35Å; V258-I268 PolarHBondContact N-O 2.91Å; V258-I268 PolarHBondContact O-N 2.92Å; V258-Y310 HydrophobicContact CG2-CE2 4.1Å; V258-Y310 VanDerWaalsContact CG2-OH 3.27Å; V258-Y310 WeakPolarHBondContact CG2-OH 3.34Å
259T93.6Very high90.9Very high9 Ų952.6 Ų52.66%0.05524%0.243CC..SBendtrans-86.1-5.5-173.5600000114.2V104 M105 D112 Y113 V257 H267V104-T259 HydrophobicContact CG1-CG2 3.97Å; M105-T259 PolarHBondContact O-N 2.84Å; M105-T259 PolarHBondContact O-OG1 3.28Å; D112-T259 HydrophobicContact CB-CG2 4.3Å; Y113-T259 WeakPolarHBondContact CB-OG1 3.42Å; Y113-T259 PolarHBondContact N-OG1 3.44Å; V257-T259 HydrophobicContact CG1-CG2 3.98Å; T259-H267 VanDerWaalsContact CA-CD2 3.48Å; T259-H267 WeakPolarHBondContact CA-CD2 3.41Å; T259-H267 PolarHBondContact O-CD2 3.44Å
260G86.8Confident91.4Very high13 Ų1351.2 Ų51.213%0.13424%0.235CC..  trans-170.6144.7171.500000109.5H148 V258H148-G260 PolarHBondContact CE1-O 2.97Å; V258-G260 VanDerWaalsContact C-N 3.34Å; V258-G260 WeakPolarHBondContact CG1-O 3.49Å
261S81.6Confident92Very high20 Ų2042.4 Ų42.414%0.1420%0.197CC..BIsolated β-bridgetrans-148.7167.6-179.863.60000111.1E263 S264S261-E263 PolarHBondContact O-N 2.83Å; S261-S264 PolarHBondContact N-O 3.02Å; S261-S264 PolarHBondContact O-N 3.39Å; S261-S264 WeakPolarHBondContact OG-CB 3.3Å; S261-S264 PolarHBondContact OG-N 3.3Å
262L79.9Confident92.4Very high135 Ų13537.4 Ų37.471%0.70717%0.174SC*.THydrogen-bonded Turntrans-60.9-34.1173.9-8982.2000111.9
263E82.4Confident92.6Very high36 Ų3627.5 Ų27.517%0.16814%0.138CC..THydrogen-bonded Turntrans-84.3-13.4-174.8-59.178.7-176.400113.1S261 I306 R309 R313S261-E263 PolarHBondContact O-N 2.83Å; E263-I306 HydrophobicContact CB-CG2 3.93Å; E263-R309 HydrophobicContact CG-CB 3.84Å; E263-R313 IonicContact OE1-CZ 2.72Å; E263-R313 IonicContact OE1-NE 2.68Å; E263-R313 PolarHBondContact OE1-NE 3.03Å; E263-R313 IonicContact OE1-NH1 3.94Å; E263-R313 IonicContact OE1-NH2 3.82Å; E263-R313 PolarHBondContact OE1-NH2 3.41Å; E263-R313 IonicContact OE2-CZ 3.52Å; E263-R313 IonicContact OE2-NH2 2.73Å; E263-R313 PolarHBondContact OE2-NH2 2.87Å
264S79.4Confident92.3Very high10 Ų1029.5 Ų29.57%0.0715%0.15CC..BIsolated β-bridgetrans-152.6137.7-167-179.70000114.9S261 E266 Y284S261-S264 PolarHBondContact N-O 3.02Å; S261-S264 PolarHBondContact O-N 3.39Å; S261-S264 WeakPolarHBondContact OG-CB 3.3Å; S261-S264 PolarHBondContact OG-N 3.3Å; S264-E266 WeakPolarHBondContact CB-O 3.49Å; S264-E266 WeakPolarHBondContact OG-CA 3.14Å; S264-E266 PolarHBondContact OG-N 2.64Å; S264-E266 PolarHBondContact OG-O 3.25Å; S264-Y284 WeakPolarHBondContact OG-CE2 3.39Å; S264-Y284 VanDerWaalsContact OG-CZ 3.26Å; S264-Y284 PolarHBondContact OG-OH 2.83Å
265K81.1Confident92Very high203 Ų20330.2 Ų30.288%0.88315%0.152SC*.SBendtrans-82-17.3164.6-61.9-175.2-180-178.80113.7
266E93.1Very high91.8Very high41 Ų4133.5 Ų33.519%0.19217%0.165CC..SBendtrans-102.3163179.2-62.1-70.6167.200111.4S264 Y284 I286 R336S264-E266 WeakPolarHBondContact CB-O 3.49Å; S264-E266 WeakPolarHBondContact OG-CA 3.14Å; S264-E266 PolarHBondContact OG-N 2.64Å; S264-E266 PolarHBondContact OG-O 3.25Å; E266-Y284 HydrophobicContact CB-CE1 4.26Å; E266-Y284 HydrophobicContact CB-CE2 4.18Å; E266-I286 HydrophobicContact CB-CG2 4.13Å; E266-I286 HydrophobicContact CG-CB 4.34Å; E266-I286 HydrophobicContact CG-CG2 3.68Å; E266-R336 VanDerWaalsContact CD-NH2 3.27Å; E266-R336 IonicContact OE1-CZ 2.64Å; E266-R336 IonicContact OE1-NH1 2.69Å; E266-R336 IonicContact OE1-NH2 2.69Å; E266-R336 PolarHBondContact OE1-NH2 2.97Å; E266-R336 IonicContact OE2-CZ 2.98Å; E266-R336 IonicContact OE2-NH1 3.62Å; E266-R336 PolarHBondContact OE2-NH1 3.04Å; E266-R336 IonicContact OE2-NH2 3.63Å; E266-R336 PolarHBondContact OE2-NH2 2.65Å; E266-R336 VanDerWaalsContact OE2-NH2 3.11Å
267H96.3Very high91.5Very high26 Ų2638.6 Ų38.612%0.1220%0.199CC..  trans-70.1146.9-178.9-60176.7000111.8D112 V257 V258 T259 H285D112-H267 IonicContact OD2-CD2 2.7Å; D112-H267 IonicContact OD2-CE1 2.68Å; D112-H267 IonicContact OD2-NE2 2.78Å; D112-H267 PolarHBondContact OD2-NE2 3.32Å; V257-H267 HydrophobicContact CG1-CB 4.26Å; V258-H267 WeakPolarHBondContact O-CA 3.45Å; T259-H267 VanDerWaalsContact CA-CD2 3.48Å; T259-H267 WeakPolarHBondContact CA-CD2 3.41Å; T259-H267 PolarHBondContact O-CD2 3.44Å; H267-H285 HydrophobicContact CB-CB 3.82Å; H267-H285 WeakPolarHBondContact O-CB 3.29Å; H267-H285 PolarHBondContact O-N 3.32Å
268I98Very high91.3Very high0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-109.3136164-65.3171.2000106.9V257 V258 I282 Y284 L307 Y310V257-I268 CarbonylContact C-O 3.48Å; V257-I268 WeakPolarHBondContact CA-O 3.48Å; V258-I268 HydrophobicContact CB-CB 4.35Å; V258-I268 PolarHBondContact N-O 2.91Å; V258-I268 PolarHBondContact O-N 2.92Å; I268-I282 HydrophobicContact CG2-CG2 3.72Å; I268-Y284 HydrophobicContact CG1-CD2 4.06Å; I268-Y284 HydrophobicContact CG1-CE2 4.42Å; I268-L307 HydrophobicContact CD1-CD2 4.16Å; I268-L307 HydrophobicContact CG1-CD2 4.07Å; I268-L307 HydrophobicContact CG2-CD2 3.87Å; I268-Y310 HydrophobicContact CD1-CD1 4.04Å; I268-Y310 HydrophobicContact CD1-CD2 3.73Å; I268-Y310 HydrophobicContact CD1-CE2 4.35Å; I268-Y310 HydrophobicContact CD1-CG 3.57Å; I268-Y310 HydrophobicContact CG2-CD1 4.06Å; I268-Y310 HydrophobicContact CG2-CE1 3.96Å
269Y98.3Very high91.3Very high29 Ų2942 Ų4211%0.11422%0.216CC..EExtended strand (participates in β ladder)trans-127153.817670.8-88.4000111.1I64 F256 L271 I282 C283 H285I64-Y269 HydrophobicContact CD1-CD2 3.94Å; I64-Y269 HydrophobicContact CD1-CG 4.3Å; F256-Y269 CarbonylContact O-C 3.53Å; F256-Y269 VanDerWaalsContact O-CA 3.26Å; F256-Y269 WeakPolarHBondContact O-CA 3.38Å; Y269-L271 HydrophobicContact CD2-CD1 3.89Å; Y269-L271 HydrophobicContact CE2-CD1 3.99Å; Y269-I282 CarbonylContact O-C 3.41Å; Y269-I282 WeakPolarHBondContact O-CA 3.41Å; Y269-C283 HydrophobicContact CD1-CB 4.11Å; Y269-C283 HydrophobicContact CD2-CB 4.37Å; Y269-C283 HydrophobicContact CE1-CB 3.46Å; Y269-C283 VanDerWaalsContact CE1-CB 3.46Å; Y269-C283 HydrophobicContact CE2-CB 3.77Å; Y269-C283 PolarHBondContact N-O 2.93Å; Y269-C283 PolarHBondContact O-N 2.8Å; Y269-C283 WeakPolarHBondContact OH-CB 3.4Å; Y269-H285 HydrophobicContact CD1-CB 4.08Å; Y269-H285 AromaticContact CD1-ND1 3.71Å; Y269-H285 HydrophobicContact CE1-CB 4.41Å; Y269-H285 AromaticContact CE1-ND1 3.69Å
270G98.1Very high91.5Very high0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-147.1159.1174.400000113.8C255 F256 K281C255-G270 CarbonylContact C-O 3.55Å; C255-G270 WeakPolarHBondContact CA-O 2.96Å; F256-G270 PolarHBondContact N-O 3.49Å; F256-G270 PolarHBondContact O-N 2.81Å; G270-K281 CarbonylContact C-O 3.57Å; G270-K281 WeakPolarHBondContact CA-O 3.43Å
271L98.4Very high92Very high3 Ų341.4 Ų41.42%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-131.3144.4178.5-59.596000108.8T62 I64 V158 Y269 V280 K281T62-L271 WeakPolarHBondContact OG1-CD2 3.33Å; I64-L271 HydrophobicContact CD1-CD1 4.33Å; I64-L271 HydrophobicContact CD1-CG 4.33Å; I64-L271 HydrophobicContact CG1-CD1 4.02Å; I64-L271 HydrophobicContact CG1-CD2 3.79Å; I64-L271 HydrophobicContact CG1-CG 3.77Å; V158-L271 HydrophobicContact CG2-CD2 4.33Å; Y269-L271 HydrophobicContact CD2-CD1 3.89Å; Y269-L271 HydrophobicContact CE2-CD1 3.99Å; L271-V280 VanDerWaalsContact O-CG1 3.29Å; L271-V280 WeakPolarHBondContact O-CG1 3.11Å; L271-K281 HydrophobicContact CB-CB 4.33Å; L271-K281 HydrophobicContact CD1-CB 4.39Å; L271-K281 HydrophobicContact CD1-CD 3.85Å; L271-K281 HydrophobicContact CD1-CG 3.98Å; L271-K281 PolarHBondContact N-O 2.94Å; L271-K281 PolarHBondContact O-N 3.38Å
272P97.2Very high92.8Very high5 Ų540.5 Ų40.53%0.03220%0.203CC..EExtended strand (participates in β ladder)trans-58.5157.2-179.624.5-34.9000112.2T100 V158 Y247 V249 F253 N274T100-P272 HydrophobicContact CG2-CG 4.19Å; V158-P272 HydrophobicContact CG2-CG 4.13Å; Y247-P272 CarbonylContact O-C 3.56Å; Y247-P272 VanDerWaalsContact O-CA 3.26Å; Y247-P272 WeakPolarHBondContact O-CA 3.45Å; Y247-P272 VanDerWaalsContact O-CB 3.25Å; Y247-P272 WeakPolarHBondContact O-CB 3.37Å; V249-P272 HydrophobicContact CG1-CB 3.94Å; V249-P272 HydrophobicContact CG1-CG 3.57Å; F253-P272 HydrophobicContact CB-CB 4.21Å; F253-P272 HydrophobicContact CD1-CB 4.02Å; F253-P272 WeakPolarHBondContact O-CB 3.44Å; P272-N274 PolarHBondContact O-N 2.84Å; P272-N274 VanDerWaalsContact O-N 3.16Å
273S94.5Very high93.7Very high11 Ų1134 Ų348%0.07717%0.169CC..EExtended strand (participates in β ladder)trans-61.3120.7174.859.50000110E241 Y247 G248 V249 L279E241-S273 VanDerWaalsContact OE1-CB 3.27Å; E241-S273 WeakPolarHBondContact OE1-CB 3.42Å; E241-S273 PolarHBondContact OE1-OG 3.14Å; Y247-S273 PolarHBondContact O-N 3.38Å; Y247-S273 PolarHBondContact O-OG 2.98Å; G248-S273 WeakPolarHBondContact CA-OG 3.18Å; G248-S273 PolarHBondContact N-OG 3.47Å; V249-S273 PolarHBondContact N-O 2.7Å; S273-L279 VanDerWaalsContact CA-O 3.28Å; S273-L279 WeakPolarHBondContact CA-O 3.37Å; S273-L279 VanDerWaalsContact CB-O 3.27Å; S273-L279 WeakPolarHBondContact CB-O 3.24Å
274N89Confident94.4Very high55 Ų5533.4 Ų33.429%0.29417%0.165SC..EExtended strand (participates in β ladder)trans-163.6-40-174.4-178.385.9000112.3R98 V249 P272R98-N274 PolarHBondContact NH1-OD1 2.86Å; V249-N274 HydrophobicContact CG1-CB 3.95Å; V249-N274 HydrophobicContact CG2-CB 4.37Å; P272-N274 PolarHBondContact O-N 2.84Å; P272-N274 VanDerWaalsContact O-N 3.16Å
275E92.2Very high95.1Very high19 Ų1934.3 Ų34.39%0.08917%0.168CC..EExtended strand (participates in β ladder)trans-73.9-45.9-176.9-61.1-166.2-170.100112.6Q61 T62 Y238 K281Q61-E275 HydrophobicContact CB-CB 4.33Å; Q61-E275 HydrophobicContact CB-CG 3.78Å; Q61-E275 HydrophobicContact CG-CB 4.48Å; Q61-E275 HydrophobicContact CG-CG 4.43Å; Q61-E275 PolarHBondContact NE2-O 2.85Å; Q61-E275 PolarHBondContact OE1-O 2.89Å; T62-E275 VanDerWaalsContact CB-OE1 3.27Å; T62-E275 WeakPolarHBondContact CB-OE1 3.3Å; T62-E275 HydrophobicContact CG2-CG 3.81Å; T62-E275 PolarHBondContact N-OE1 3.35Å; T62-E275 PolarHBondContact OG1-OE1 2.97Å; Y238-E275 HydrophobicContact CE1-CB 4.12Å; Y238-E275 HydrophobicContact CE1-CG 4.44Å; Y238-E275 WeakPolarHBondContact CE1-OE2 3.36Å; Y238-E275 VanDerWaalsContact CZ-OE2 3.28Å; Y238-E275 PolarHBondContact OH-OE2 2.97Å; E275-K281 IonicContact OE1-NZ 3.95Å; E275-K281 PolarHBondContact OE1-NZ 2.86Å; E275-K281 IonicContact OE2-NZ 2.72Å
276Y93.5Very high95.7Very high70 Ų7026.1 Ų26.128%0.27513%0.134SC..EExtended strand (participates in β ladder)trans-119.5142.3174.1-65.6-77.4000108.8Y238 D278 L279 V324 E326Y238-Y276 AromaticContact CD1-CD2 3.56Å; Y238-Y276 HydrophobicContact CD1-CD2 3.56Å; Y238-Y276 HydrophobicContact CD1-CE2 4.04Å; Y238-Y276 HydrophobicContact CD2-CD2 4.37Å; Y238-Y276 HydrophobicContact CD2-CE2 4.16Å; Y238-Y276 AromaticContact CE1-CD2 3.6Å; Y238-Y276 HydrophobicContact CE1-CD2 3.6Å; Y238-Y276 AromaticContact CE1-CE2 3.76Å; Y238-Y276 HydrophobicContact CE1-CE2 3.76Å; Y238-Y276 HydrophobicContact CE2-CD2 4.44Å; Y238-Y276 AromaticContact CE2-CE2 3.94Å; Y238-Y276 HydrophobicContact CE2-CE2 3.94Å; Y238-Y276 AromaticContact CG-CD2 3.96Å; Y238-Y276 HydrophobicContact CG-CD2 3.96Å; Y238-Y276 HydrophobicContact CG-CE2 4.22Å; Y238-Y276 AromaticContact CZ-CE2 3.73Å; Y276-D278 PolarHBondContact O-N 2.75Å; Y276-L279 HydrophobicContact CD2-CD1 4.36Å; Y276-L279 HydrophobicContact CG-CD1 4.06Å; Y276-L279 PolarHBondContact O-N 2.92Å; Y276-V324 HydrophobicContact CE2-CG1 4.49Å; Y276-E326 WeakPolarHBondContact CE2-OE1 3.35Å; Y276-E326 PolarHBondContact OH-OE1 2.86Å
277P91.6Very high95.8Very high111 Ų11125 Ų2572%0.72113%0.134SC*.THydrogen-bonded Turntrans-53.7126.8175.2-25.234.4000110.9L279P277-L279 PolarHBondContact O-N 2.95Å; P277-L279 VanDerWaalsContact O-N 3.08Å
278D93.9Very high95.8Very high65 Ų6524.6 Ų24.635%0.34813%0.134SC..THydrogen-bonded Turntrans57.620.8175.8-45.7-38.1000115.5E241 Y276E241-D278 WeakPolarHBondContact CG-O 3.01Å; E241-D278 PolarHBondContact N-O 2.77Å; Y276-D278 PolarHBondContact O-N 2.75Å
279L97.6Very high95.7Very high20 Ų2031.1 Ų31.111%0.10516%0.162CC..EExtended strand (participates in β ladder)trans-114.6125.2173.4-46.1-174.3000112W239 K240 S273 Y276 P277 A323 V324W239-L279 CarbonylContact O-C 3.28Å; W239-L279 WeakPolarHBondContact O-CA 3.26Å; K240-L279 HydrophobicContact CB-CD2 3.79Å; K240-L279 HydrophobicContact CG-CD2 4.14Å; S273-L279 VanDerWaalsContact CA-O 3.28Å; S273-L279 WeakPolarHBondContact CA-O 3.37Å; S273-L279 VanDerWaalsContact CB-O 3.27Å; S273-L279 WeakPolarHBondContact CB-O 3.24Å; Y276-L279 HydrophobicContact CD2-CD1 4.36Å; Y276-L279 HydrophobicContact CG-CD1 4.06Å; Y276-L279 PolarHBondContact O-N 2.92Å; P277-L279 PolarHBondContact O-N 2.95Å; P277-L279 VanDerWaalsContact O-N 3.08Å; L279-A323 HydrophobicContact CD1-CB 4.14Å; L279-A323 HydrophobicContact CD2-CB 3.89Å; L279-V324 HydrophobicContact CD1-CB 4.5Å; L279-V324 HydrophobicContact CD1-CG2 3.85Å
280V98.1Very high95.7Very high1 Ų130.8 Ų30.81%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-88.5132.8172.8-174.50000109Y238 W239 E241 Y247 L271 I282 L318Y238-V280 CarbonylContact C-O 3.55Å; Y238-V280 WeakPolarHBondContact CA-O 3.42Å; W239-V280 PolarHBondContact N-O 3.2Å; W239-V280 PolarHBondContact O-N 3.34Å; E241-V280 HydrophobicContact CG-CG2 3.93Å; Y247-V280 VanDerWaalsContact CB-CG2 3.43Å; Y247-V280 HydrophobicContact CD2-CG2 4.08Å; Y247-V280 HydrophobicContact CG-CG2 4.02Å; L271-V280 VanDerWaalsContact O-CG1 3.29Å; L271-V280 WeakPolarHBondContact O-CG1 3.11Å; V280-I282 HydrophobicContact CG1-CD1 4.07Å; V280-I282 HydrophobicContact CG1-CG1 3.81Å; V280-L318 HydrophobicContact CB-CD1 4.23Å; V280-L318 HydrophobicContact CB-CD2 4.19Å; V280-L318 HydrophobicContact CG2-CD1 4.48Å; V280-L318 HydrophobicContact CG2-CD2 3.72Å
281K98.4Very high95.6Very high10 Ų1034 Ų344%0.04318%0.18CC..EExtended strand (participates in β ladder)trans-84.9119.5175.5177.7166.4174.8157.30109V236 Y238 G270 L271 E275V236-K281 HydrophobicContact CG1-CD 4.24Å; V236-K281 HydrophobicContact CG1-CG 4.38Å; Y238-K281 HydrophobicContact CD1-CB 3.94Å; Y238-K281 HydrophobicContact CD1-CG 4.44Å; Y238-K281 HydrophobicContact CE1-CB 3.82Å; Y238-K281 HydrophobicContact CE1-CD 3.79Å; Y238-K281 HydrophobicContact CE1-CG 4.03Å; Y238-K281 PolarHBondContact OH-NZ 3.3Å; G270-K281 CarbonylContact C-O 3.57Å; G270-K281 WeakPolarHBondContact CA-O 3.43Å; L271-K281 HydrophobicContact CB-CB 4.33Å; L271-K281 HydrophobicContact CD1-CB 4.39Å; L271-K281 HydrophobicContact CD1-CD 3.85Å; L271-K281 HydrophobicContact CD1-CG 3.98Å; L271-K281 PolarHBondContact N-O 2.94Å; L271-K281 PolarHBondContact O-N 3.38Å; E275-K281 IonicContact OE1-NZ 3.95Å; E275-K281 PolarHBondContact OE1-NZ 2.86Å; E275-K281 IonicContact OE2-NZ 2.72Å
282I98.3Very high95.5Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-139.2125.6176.5-50.6173.9000108.1C237 W239 F256 I268 Y269 V280 L307 Y310 V311 I315 L318C237-I282 WeakPolarHBondContact CB-O 3.25Å; C237-I282 PolarHBondContact O-N 3.05Å; C237-I282 VanDerWaalsContact O-O 3.06Å; W239-I282 HydrophobicContact CG-CD1 4.49Å; W239-I282 PolarHBondContact NE1-O 2.9Å; W239-I282 VanDerWaalsContact NE1-O 3.08Å; F256-I282 HydrophobicContact CE1-CG1 4.45Å; F256-I282 HydrophobicContact CE2-CG2 4.43Å; F256-I282 HydrophobicContact CZ-CD1 4.09Å; F256-I282 HydrophobicContact CZ-CG1 3.93Å; F256-I282 HydrophobicContact CZ-CG2 4.07Å; I268-I282 HydrophobicContact CG2-CG2 3.72Å; Y269-I282 CarbonylContact O-C 3.41Å; Y269-I282 WeakPolarHBondContact O-CA 3.41Å; V280-I282 HydrophobicContact CG1-CD1 4.07Å; V280-I282 HydrophobicContact CG1-CG1 3.81Å; I282-L307 HydrophobicContact CG2-CD2 4.32Å; I282-Y310 HydrophobicContact CG2-CE1 4.43Å; I282-V311 HydrophobicContact CD1-CG2 3.93Å; I282-I315 HydrophobicContact CD1-CD1 3.64Å; I282-L318 HydrophobicContact CD1-CD1 3.41Å; I282-L318 VanDerWaalsContact CD1-CD1 3.41Å
283C97.6Very high95.5Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-139.5152.2-166.5-59.10000111.2C237 Y269C237-C283 PolarHBondContact N-SG 2.94Å; C237-C283 VanDerWaalsContact N-SG 3.45Å; Y269-C283 HydrophobicContact CD1-CB 4.11Å; Y269-C283 HydrophobicContact CD2-CB 4.37Å; Y269-C283 HydrophobicContact CE1-CB 3.46Å; Y269-C283 VanDerWaalsContact CE1-CB 3.46Å; Y269-C283 HydrophobicContact CE2-CB 3.77Å; Y269-C283 PolarHBondContact N-O 2.93Å; Y269-C283 PolarHBondContact O-N 2.8Å; Y269-C283 WeakPolarHBondContact OH-CB 3.4Å
284Y97.3Very high95.6Very high22 Ų2242.8 Ų42.89%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-82.8133.8172.3-159.6-124.9000109.1S264 E266 I268 I286 D303 I306S264-Y284 WeakPolarHBondContact OG-CE2 3.39Å; S264-Y284 VanDerWaalsContact OG-CZ 3.26Å; S264-Y284 PolarHBondContact OG-OH 2.83Å; E266-Y284 HydrophobicContact CB-CE1 4.26Å; E266-Y284 HydrophobicContact CB-CE2 4.18Å; I268-Y284 HydrophobicContact CG1-CD2 4.06Å; I268-Y284 HydrophobicContact CG1-CE2 4.42Å; Y284-I286 HydrophobicContact CD1-CG2 3.58Å; Y284-I286 WeakPolarHBondContact CD1-O 3.48Å; Y284-I286 HydrophobicContact CE1-CG2 3.27Å; Y284-I286 PolarHBondContact O-N 3.17Å; Y284-I286 VanDerWaalsContact O-N 3.14Å; Y284-D303 HydrophobicContact CD1-CB 3.59Å; Y284-D303 HydrophobicContact CE1-CB 4.42Å; Y284-D303 HydrophobicContact CG-CB 3.96Å; Y284-I306 HydrophobicContact CD2-CG2 4.12Å; Y284-I306 HydrophobicContact CE1-CD1 4.25Å; Y284-I306 HydrophobicContact CE2-CD1 4.29Å; Y284-I306 HydrophobicContact CE2-CG2 3.77Å
285H95.4Very high95.9Very high29 Ų2940.9 Ų40.913%0.13421%0.205CC..SBendtrans-84.524.3-174.3-157.551.9000113.9H267 Y269 Y330 G357H267-H285 HydrophobicContact CB-CB 3.82Å; H267-H285 WeakPolarHBondContact O-CB 3.29Å; H267-H285 PolarHBondContact O-N 3.32Å; Y269-H285 HydrophobicContact CD1-CB 4.08Å; Y269-H285 AromaticContact CD1-ND1 3.71Å; Y269-H285 HydrophobicContact CE1-CB 4.41Å; Y269-H285 AromaticContact CE1-ND1 3.69Å; H285-Y330 AromaticContact CE1-CE2 3.64Å; H285-Y330 AromaticContact CE1-CZ 3.82Å; H285-Y330 PolarHBondContact CE1-OH 3Å; H285-Y330 AromaticContact ND1-CE2 3.57Å; H285-Y330 AromaticContact ND1-CZ 3.79Å; H285-Y330 PolarHBondContact ND1-OH 2.74Å; H285-G357 PolarHBondContact CE1-O 2.87Å
286I93.8Very high95.9Very high32 Ų3244.2 Ų44.216%0.16422%0.224CC..  trans-153.3177.4166.5-161.2149.1000108.6E266 Y284 L332E266-I286 HydrophobicContact CB-CG2 4.13Å; E266-I286 HydrophobicContact CG-CB 4.34Å; E266-I286 HydrophobicContact CG-CG2 3.68Å; Y284-I286 HydrophobicContact CD1-CG2 3.58Å; Y284-I286 WeakPolarHBondContact CD1-O 3.48Å; Y284-I286 HydrophobicContact CE1-CG2 3.27Å; Y284-I286 PolarHBondContact O-N 3.17Å; Y284-I286 VanDerWaalsContact O-N 3.14Å; I286-L332 HydrophobicContact CD1-CD1 4.03Å; I286-L332 HydrophobicContact CG1-CD1 4.42Å
287G93.9Very high96Very high18 Ų1847.3 Ų47.319%0.18624%0.244CC..  trans-167.1-156.8170.500000110.4K233K233-G287 CarbonylContact O-C 3.31Å; K233-G287 VanDerWaalsContact O-CA 3.24Å; K233-G287 WeakPolarHBondContact O-CA 3.45Å
288S96.1Very high96.1Very high17 Ų1744.4 Ų44.412%0.11922%0.221CC..EExtended strand (participates in β ladder)trans-92.9139.1-164.1-41.60000111.5V232 K233 T290 D300V232-S288 CarbonylContact C-O 3.59Å; V232-S288 VanDerWaalsContact CA-O 3.29Å; V232-S288 WeakPolarHBondContact CA-O 3.42Å; K233-S288 PolarHBondContact N-O 3.02Å; K233-S288 PolarHBondContact O-N 3.49Å; S288-T290 PolarHBondContact O-N 2.83Å; S288-D300 WeakPolarHBondContact CB-OD2 3.38Å; S288-D300 VanDerWaalsContact OG-CB 3.3Å; S288-D300 WeakPolarHBondContact OG-CB 3.48Å; S288-D300 PolarHBondContact OG-OD2 2.94Å
289K97.1Very high96.2Very high136 Ų13646.7 Ų46.759%0.59124%0.238SC*.EExtended strand (participates in β ladder)trans-50.8138.9177.4-174.5173.9-172.8142.10111.6E230 T231 Q298E230-K289 HydrophobicContact CG-CD 4.48Å; E230-K289 HydrophobicContact CG-CG 4.3Å; E230-K289 WeakPolarHBondContact OE2-CD 3.28Å; E230-K289 WeakPolarHBondContact OE2-CE 3.34Å; E230-K289 IonicContact OE2-NZ 4Å; E230-K289 PolarHBondContact OE2-NZ 2.98Å; T231-K289 WeakPolarHBondContact O-CA 3.09Å; K289-Q298 PolarHBondContact O-NE2 2.69Å
290T97.1Very high96Very high23 Ų2348.7 Ų48.714%0.14125%0.248CC..  trans-152.9159.9-179.8-162.70000112.3T231 K233 S288 R295 M329T231-T290 HydrophobicContact CG2-CG2 3.92Å; T231-T290 PolarHBondContact O-N 3.49Å; K233-T290 HydrophobicContact CB-CG2 4.03Å; S288-T290 PolarHBondContact O-N 2.83Å; T290-R295 HydrophobicContact CG2-CG 4.44Å; T290-R295 WeakPolarHBondContact OG1-CA 3.48Å; T290-M329 HydrophobicContact CG2-SD 4.42Å
291D96.9Very high95.8Very high66 Ų6652 Ų5235%0.35327%0.269SS..  trans-87.4129.6162.6-174.5-43.1000108.1K218 D293 Y294 R295K218-D291 IonicContact NZ-OD1 3.79Å; K218-D291 PolarHBondContact NZ-OD1 3.23Å; K218-D291 IonicContact NZ-OD2 3.68Å; D291-D293 PolarHBondContact O-N 2.77Å; D291-D293 VanDerWaalsContact O-N 3.15Å; D291-D293 PolarHBondContact OD1-N 3.39Å; D291-Y294 HydrophobicContact CB-CD2 3.99Å; D291-Y294 CarbonylContact O-C 3.55Å; D291-Y294 VanDerWaalsContact O-C 3.31Å; D291-Y294 PolarHBondContact O-N 3.44Å; D291-R295 PolarHBondContact O-N 3.26Å
292P96.8Very high95.5Very high9 Ų954.4 Ų54.46%0.05829%0.287CS..THydrogen-bonded Turntrans-61-23.1-178.826.9-37.6000115.4P214 W215 T231 Y294 M329P214-P292 HydrophobicContact CB-CB 3.47Å; P214-P292 VanDerWaalsContact CB-CB 3.47Å; P214-P292 HydrophobicContact CB-CG 3.87Å; P214-P292 HydrophobicContact CG-CB 4.47Å; W215-P292 HydrophobicContact CD2-CB 4.06Å; W215-P292 HydrophobicContact CD2-CG 4.3Å; W215-P292 HydrophobicContact CE3-CB 4.41Å; W215-P292 HydrophobicContact CG-CG 4.45Å; W215-P292 HydrophobicContact CH2-CB 4.07Å; W215-P292 HydrophobicContact CZ2-CB 3.69Å; W215-P292 WeakPolarHBondContact CZ2-O 3.26Å; W215-P292 HydrophobicContact CZ3-CB 4.41Å; T231-P292 HydrophobicContact CG2-CB 4.32Å; P292-Y294 VanDerWaalsContact C-N 3.29Å; P292-M329 HydrophobicContact CB-CE 4.07Å; P292-M329 HydrophobicContact CB-SD 3.73Å
293D96.4Very high95.3Very high48 Ų4854.6 Ų54.626%0.25729%0.288SS..THydrogen-bonded Turntrans-75.7-21.4174.1-72.2-25.8000112.5W215 K218 D291W215-D293 PolarHBondContact NE1-OD1 2.85Å; K218-D293 VanDerWaalsContact NZ-CG 3.26Å; K218-D293 IonicContact NZ-OD1 2.69Å; K218-D293 IonicContact NZ-OD2 3.34Å; K218-D293 PolarHBondContact NZ-OD2 3.01Å; D291-D293 PolarHBondContact O-N 2.77Å; D291-D293 VanDerWaalsContact O-N 3.15Å; D291-D293 PolarHBondContact OD1-N 3.39Å
294Y96.1Very high95.3Very high147 Ų14755.3 Ų55.358%0.57629%0.291SS*.SBendtrans-123.322.4-175.2-55.6-68.4000112.9D291 P292 D296 L297D291-Y294 HydrophobicContact CB-CD2 3.99Å; D291-Y294 CarbonylContact O-C 3.55Å; D291-Y294 VanDerWaalsContact O-C 3.31Å; D291-Y294 PolarHBondContact O-N 3.44Å; P292-Y294 VanDerWaalsContact C-N 3.29Å; Y294-D296 PolarHBondContact O-N 2.91Å; Y294-D296 VanDerWaalsContact O-N 3.09Å; Y294-L297 HydrophobicContact CD1-CD1 4.15Å; Y294-L297 HydrophobicContact CG-CD1 4.46Å; Y294-L297 WeakPolarHBondContact O-CB 3.21Å; Y294-L297 PolarHBondContact O-N 3.35Å
295R95Very high95.2Very high15 Ų1557.8 Ų57.86%0.05731%0.306CS..G310 helixtrans-47.1-43.7-177.7179-16265.1-156.6-3.7112.8T54 R55 K233 T290 D291 L297 Q298 M329T54-R295 PolarHBondContact O-NH1 3.1Å; R55-R295 PolarHBondContact O-NH1 3.5Å; K233-R295 HydrophobicContact CB-CG 4.25Å; K233-R295 HydrophobicContact CD-CG 4.46Å; K233-R295 HydrophobicContact CG-CG 4Å; T290-R295 HydrophobicContact CG2-CG 4.44Å; T290-R295 WeakPolarHBondContact OG1-CA 3.48Å; D291-R295 PolarHBondContact O-N 3.26Å; R295-L297 PolarHBondContact O-N 3.34Å; R295-Q298 WeakPolarHBondContact O-CB 3.49Å; R295-Q298 PolarHBondContact O-N 2.74Å; R295-Q298 VanDerWaalsContact O-N 3.11Å; R295-M329 HydrophobicContact CB-SD 3.98Å; R295-M329 VanDerWaalsContact CD-CG 3.44Å; R295-M329 HydrophobicContact CG-CG 3.81Å; R295-M329 HydrophobicContact CG-SD 3.94Å
296D92.8Very high95.3Very high90 Ų9057.7 Ų57.748%0.48131%0.307SS..G310 helixtrans-74.1-10.5-172.6-57.3-27.2000112.9Y294Y294-D296 PolarHBondContact O-N 2.91Å; Y294-D296 VanDerWaalsContact O-N 3.09Å
297L94.9Very high95.4Very high134 Ų13456.2 Ų56.270%0.70230%0.299SS*.G310 helixtrans-81.9-13.1170.9-57.3-175.1000113.1Y294 R295 T299Y294-L297 HydrophobicContact CD1-CD1 4.15Å; Y294-L297 HydrophobicContact CG-CD1 4.46Å; Y294-L297 WeakPolarHBondContact O-CB 3.21Å; Y294-L297 PolarHBondContact O-N 3.35Å; R295-L297 PolarHBondContact O-N 3.34Å; L297-T299 PolarHBondContact O-N 3.18Å
298Q95.3Very high95.6Very high50 Ų5057.8 Ų57.823%0.23430%0.301CS..  trans-77.8114.1176.3175.855.7-90.600109.7K233 K289 R295K233-Q298 HydrophobicContact CB-CB 4.4Å; K233-Q298 HydrophobicContact CB-CG 4.1Å; K233-Q298 HydrophobicContact CD-CB 3.86Å; K233-Q298 HydrophobicContact CD-CG 3.91Å; K233-Q298 WeakPolarHBondContact CD-O 3.4Å; K233-Q298 PolarHBondContact NZ-O 3.11Å; K289-Q298 PolarHBondContact O-NE2 2.69Å; R295-Q298 WeakPolarHBondContact O-CB 3.49Å; R295-Q298 PolarHBondContact O-N 2.74Å; R295-Q298 VanDerWaalsContact O-N 3.11Å
299T94.4Very high95.6Very high114 Ų11463.2 Ų63.270%0.69932%0.319SS*.  trans-110.24.4-17363.10000114.5L297 T301L297-T299 PolarHBondContact O-N 3.18Å; T299-T301 PolarHBondContact O-N 3.05Å
300D94.3Very high95.6Very high61 Ų6157 Ų5733%0.32629%0.291SS..  trans-62.8130.8174.8-179.713.3000111.2N235 S288 S302N235-D300 PolarHBondContact ND2-O 2.93Å; S288-D300 WeakPolarHBondContact CB-OD2 3.38Å; S288-D300 VanDerWaalsContact OG-CB 3.3Å; S288-D300 WeakPolarHBondContact OG-CB 3.48Å; S288-D300 PolarHBondContact OG-OD2 2.94Å; D300-S302 VanDerWaalsContact OD1-CB 3.26Å; D300-S302 WeakPolarHBondContact OD1-CB 2.98Å; D300-S302 PolarHBondContact OD1-N 3.3Å; D300-S302 PolarHBondContact OD1-OG 2.78Å; D300-S302 PolarHBondContact OD2-OG 3.33Å
301T93.7Very high95.7Very high71 Ų7155.9 Ų55.944%0.43629%0.285SS..  trans-129.516.2-178.158.90000112.1T299 D303 I304 D305T299-T301 PolarHBondContact O-N 3.05Å; T301-D303 PolarHBondContact O-N 2.89Å; T301-I304 HydrophobicContact CG2-CD1 3.97Å; T301-I304 VanDerWaalsContact O-CB 3.31Å; T301-I304 WeakPolarHBondContact O-CB 3.47Å; T301-I304 PolarHBondContact O-N 3.28Å; T301-D305 PolarHBondContact O-N 3.15Å
302S93.2Very high95.7Very high61 Ų6156.1 Ų56.143%0.42729%0.291SS..Hα-helixtrans-58.5-28.5179.854.90000113.1D300 I304 D305 I306D300-S302 VanDerWaalsContact OD1-CB 3.26Å; D300-S302 WeakPolarHBondContact OD1-CB 2.98Å; D300-S302 PolarHBondContact OD1-N 3.3Å; D300-S302 PolarHBondContact OD1-OG 2.78Å; D300-S302 PolarHBondContact OD2-OG 3.33Å; S302-I304 VanDerWaalsContact C-N 3.35Å; S302-D305 PolarHBondContact O-N 2.72Å; S302-I306 PolarHBondContact O-N 3.08Å
303D94.3Very high95.6Very high3 Ų360 Ų602%0.01631%0.305CS..Hα-helixtrans-63.8-36.4171.764.5-24.3000112.8N235 Y284 T301 D305 I306 L307N235-D303 WeakPolarHBondContact CB-OD2 3.29Å; N235-D303 PolarHBondContact ND2-OD1 3.48Å; N235-D303 PolarHBondContact ND2-OD2 3.4Å; N235-D303 VanDerWaalsContact ND2-OD2 3.12Å; Y284-D303 HydrophobicContact CD1-CB 3.59Å; Y284-D303 HydrophobicContact CE1-CB 4.42Å; Y284-D303 HydrophobicContact CG-CB 3.96Å; T301-D303 PolarHBondContact O-N 2.89Å; D303-D305 VanDerWaalsContact C-N 3.35Å; D303-D305 PolarHBondContact O-N 2.72Å; D303-I306 WeakPolarHBondContact O-CB 3.49Å; D303-I306 PolarHBondContact O-N 3.36Å; D303-L307 WeakPolarHBondContact O-CG 3.27Å; D303-L307 PolarHBondContact O-N 3.49Å
304I96.8Very high95.6Very high15 Ų1557.8 Ų57.88%0.07729%0.293CS..Hα-helixtrans-63.9-41.7176.6-54.6-173.1000110.3N235 T301 S302 I306 L307 K308 P322 V325N235-I304 HydrophobicContact CB-CD1 4.39Å; N235-I304 HydrophobicContact CB-CG1 4.33Å; T301-I304 HydrophobicContact CG2-CD1 3.97Å; T301-I304 VanDerWaalsContact O-CB 3.31Å; T301-I304 WeakPolarHBondContact O-CB 3.47Å; T301-I304 PolarHBondContact O-N 3.28Å; S302-I304 VanDerWaalsContact C-N 3.35Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 PolarHBondContact O-N 2.81Å; I304-L307 CarbonylContact O-C 3.54Å; I304-L307 WeakPolarHBondContact O-CB 3.45Å; I304-L307 PolarHBondContact O-N 3.48Å; I304-L307 VanDerWaalsContact O-N 3.09Å; I304-K308 HydrophobicContact CG2-CG 4.43Å; I304-K308 WeakPolarHBondContact O-CG 3.47Å; I304-K308 PolarHBondContact O-N 3.48Å; I304-P322 HydrophobicContact CG2-CG 3.84Å; I304-V325 HydrophobicContact CD1-CG1 4.04Å; I304-V325 HydrophobicContact CD1-CG2 4.09Å
305D95.8Very high95.7Very high75 Ų7550.9 Ų50.940%0.40127%0.266SS..Hα-helixtrans-65-34.7178.5-69.4-33.6000112.5T301 S302 D303 R309T301-D305 PolarHBondContact O-N 3.15Å; S302-D305 PolarHBondContact O-N 2.72Å; D303-D305 VanDerWaalsContact C-N 3.35Å; D303-D305 PolarHBondContact O-N 2.72Å; D305-R309 PolarHBondContact O-N 3.06Å; D305-R309 PolarHBondContact O-NH1 3.09Å
306I95.7Very high95.8Very high27 Ų2753 Ų5314%0.13828%0.282CS..Hα-helixtrans-60.5-48.2170.3-67.9169000109.9E263 Y284 S302 D303 I304 K308 R309 Y310E263-I306 HydrophobicContact CB-CG2 3.93Å; Y284-I306 HydrophobicContact CD2-CG2 4.12Å; Y284-I306 HydrophobicContact CE1-CD1 4.25Å; Y284-I306 HydrophobicContact CE2-CD1 4.29Å; Y284-I306 HydrophobicContact CE2-CG2 3.77Å; S302-I306 PolarHBondContact O-N 3.08Å; D303-I306 WeakPolarHBondContact O-CB 3.49Å; D303-I306 PolarHBondContact O-N 3.36Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 PolarHBondContact O-N 2.81Å; I306-K308 PolarHBondContact O-N 3.43Å; I306-R309 PolarHBondContact O-N 3.2Å; I306-Y310 PolarHBondContact O-N 3.31Å
307L97.4Very high96Very high0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-65.3-37.8179.7-65.8174.4000112.7C237 W239 I268 I282 D303 I304 R309 Y310 V311C237-L307 HydrophobicContact CB-CD1 4.28Å; W239-L307 HydrophobicContact CH2-CB 3.92Å; W239-L307 HydrophobicContact CZ2-CB 3.48Å; W239-L307 VanDerWaalsContact CZ2-CB 3.48Å; W239-L307 HydrophobicContact CZ2-CD1 4.2Å; W239-L307 HydrophobicContact CZ2-CG 4.49Å; I268-L307 HydrophobicContact CD1-CD2 4.16Å; I268-L307 HydrophobicContact CG1-CD2 4.07Å; I268-L307 HydrophobicContact CG2-CD2 3.87Å; I282-L307 HydrophobicContact CG2-CD2 4.32Å; D303-L307 WeakPolarHBondContact O-CG 3.27Å; D303-L307 PolarHBondContact O-N 3.49Å; I304-L307 CarbonylContact O-C 3.54Å; I304-L307 WeakPolarHBondContact O-CB 3.45Å; I304-L307 PolarHBondContact O-N 3.48Å; I304-L307 VanDerWaalsContact O-N 3.09Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 3.5Å; L307-Y310 PolarHBondContact O-N 3.49Å; L307-V311 WeakPolarHBondContact O-CB 3.1Å; L307-V311 VanDerWaalsContact O-CG2 3.3Å; L307-V311 WeakPolarHBondContact O-CG2 3.34Å; L307-V311 PolarHBondContact O-N 2.93Å
308K97.8Very high96.1Very high52 Ų5243.3 Ų43.323%0.22624%0.235CC..Hα-helixtrans-57.2-45.2176-71.6-177.9-178.2-165.70111.5W239 I304 I306 S312 P320 E321W239-K308 HydrophobicContact CH2-CB 4.34Å; W239-K308 HydrophobicContact CH2-CG 3.71Å; W239-K308 HydrophobicContact CZ3-CG 3.98Å; I304-K308 HydrophobicContact CG2-CG 4.43Å; I304-K308 WeakPolarHBondContact O-CG 3.47Å; I304-K308 PolarHBondContact O-N 3.48Å; I306-K308 PolarHBondContact O-N 3.43Å; K308-S312 VanDerWaalsContact O-CB 3.25Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.21Å; K308-P320 WeakPolarHBondContact CG-O 3.14Å; K308-E321 VanDerWaalsContact CE-CD 3.48Å; K308-E321 WeakPolarHBondContact CE-OE1 3.12Å; K308-E321 WeakPolarHBondContact CE-OE2 3.19Å; K308-E321 IonicContact NZ-OE1 3.51Å; K308-E321 PolarHBondContact NZ-OE1 3.24Å; K308-E321 IonicContact NZ-OE2 3.77Å; K308-E321 PolarHBondContact NZ-OE2 2.75Å
309R96.7Very high96.3Very high131 Ų13143.4 Ų43.449%0.49424%0.24SC..Hα-helixtrans-63.6-47.3176.2-70.2-173.2-66-85.64.1111.6E263 D305 I306 L307 R313E263-R309 HydrophobicContact CG-CB 3.84Å; D305-R309 PolarHBondContact O-N 3.06Å; D305-R309 PolarHBondContact O-NH1 3.09Å; I306-R309 PolarHBondContact O-N 3.2Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 3.5Å; R309-R313 WeakPolarHBondContact O-CB 3.38Å; R309-R313 PolarHBondContact O-N 3.44Å
310Y96.9Very high96.4Very high5 Ų540.2 Ų40.22%0.0222%0.22CC..Hα-helixtrans-59.6-49.7177.1174-96.7000112F256 V258 I268 I282 I306 L307 R313 C314 I315F256-Y310 HydrophobicContact CE2-CE1 4.3Å; V258-Y310 HydrophobicContact CG2-CE2 4.1Å; V258-Y310 VanDerWaalsContact CG2-OH 3.27Å; V258-Y310 WeakPolarHBondContact CG2-OH 3.34Å; I268-Y310 HydrophobicContact CD1-CD1 4.04Å; I268-Y310 HydrophobicContact CD1-CD2 3.73Å; I268-Y310 HydrophobicContact CD1-CE2 4.35Å; I268-Y310 HydrophobicContact CD1-CG 3.57Å; I268-Y310 HydrophobicContact CG2-CD1 4.06Å; I268-Y310 HydrophobicContact CG2-CE1 3.96Å; I282-Y310 HydrophobicContact CG2-CE1 4.43Å; I306-Y310 PolarHBondContact O-N 3.31Å; L307-Y310 PolarHBondContact O-N 3.49Å; Y310-R313 PolarHBondContact O-N 3.03Å; Y310-C314 HydrophobicContact CD2-CB 4.07Å; Y310-C314 HydrophobicContact CE1-CB 4.31Å; Y310-C314 HydrophobicContact CE2-CB 3.66Å; Y310-C314 VanDerWaalsContact O-CB 3.29Å; Y310-C314 WeakPolarHBondContact O-CB 3.41Å; Y310-C314 PolarHBondContact O-N 3.13Å; Y310-I315 HydrophobicContact CE1-CD1 4.14Å; Y310-I315 HydrophobicContact CE1-CG1 4.44Å
311V97.6Very high96.6Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-61.8-47-179.3168.80000111.1W239 I282 L307 R313 I315 L318W239-V311 HydrophobicContact CD2-CG1 4.37Å; W239-V311 HydrophobicContact CD2-CG2 3.86Å; W239-V311 HydrophobicContact CE3-CB 4.18Å; W239-V311 HydrophobicContact CE3-CG1 3.92Å; W239-V311 HydrophobicContact CE3-CG2 3.98Å; W239-V311 HydrophobicContact CG-CG2 4.37Å; W239-V311 HydrophobicContact CH2-CG2 4.32Å; W239-V311 HydrophobicContact CZ2-CG2 4.22Å; W239-V311 HydrophobicContact CZ3-CB 4.24Å; W239-V311 HydrophobicContact CZ3-CG1 4.37Å; W239-V311 HydrophobicContact CZ3-CG2 4.2Å; I282-V311 HydrophobicContact CD1-CG2 3.93Å; L307-V311 WeakPolarHBondContact O-CB 3.1Å; L307-V311 VanDerWaalsContact O-CG2 3.3Å; L307-V311 WeakPolarHBondContact O-CG2 3.34Å; L307-V311 PolarHBondContact O-N 2.93Å; V311-R313 VanDerWaalsContact C-N 3.25Å; V311-R313 PolarHBondContact O-N 2.82Å; V311-I315 CarbonylContact O-C 3.54Å; V311-I315 WeakPolarHBondContact O-CA 3.44Å; V311-I315 PolarHBondContact O-N 2.87Å; V311-L318 HydrophobicContact CG1-CB 3.65Å; V311-L318 HydrophobicContact CG1-CD1 4.08Å; V311-L318 HydrophobicContact CG1-CG 4.47Å
312S97.3Very high96.8Very high71 Ų7140 Ų4050%0.49722%0.215SC..Hα-helixtrans-55.6-41.4178.3-174.80000112.4K308K308-S312 VanDerWaalsContact O-CB 3.25Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.21Å
313R96Very high97Very high90 Ų9039.8 Ų39.834%0.3422%0.217SC..Hα-helixtrans-85.2-47-176.4-174.3176.267158.52.6113.7E263 R309 Y310 V311E263-R313 IonicContact OE1-CZ 2.72Å; E263-R313 IonicContact OE1-NE 2.68Å; E263-R313 PolarHBondContact OE1-NE 3.03Å; E263-R313 IonicContact OE1-NH1 3.94Å; E263-R313 IonicContact OE1-NH2 3.82Å; E263-R313 PolarHBondContact OE1-NH2 3.41Å; E263-R313 IonicContact OE2-CZ 3.52Å; E263-R313 IonicContact OE2-NH2 2.73Å; E263-R313 PolarHBondContact OE2-NH2 2.87Å; R309-R313 WeakPolarHBondContact O-CB 3.38Å; R309-R313 PolarHBondContact O-N 3.44Å; Y310-R313 PolarHBondContact O-N 3.03Å; V311-R313 VanDerWaalsContact C-N 3.25Å; V311-R313 PolarHBondContact O-N 2.82Å
314C96.4Very high97.2Very high2 Ų241.8 Ų41.81%0.01423%0.23CC..Hα-helixtrans-96.6-21.2-166.9-660000113.3V142 V143 Y310V142-C314 WeakPolarHBondContact CA-O 3.28Å; V143-C314 PolarHBondContact N-O 3.49Å; Y310-C314 HydrophobicContact CD2-CB 4.07Å; Y310-C314 HydrophobicContact CE1-CB 4.31Å; Y310-C314 HydrophobicContact CE2-CB 3.66Å; Y310-C314 VanDerWaalsContact O-CB 3.29Å; Y310-C314 WeakPolarHBondContact O-CB 3.41Å; Y310-C314 PolarHBondContact O-N 3.13Å
315I97.2Very high97.2Very high1 Ų144.1 Ų44.11%0.00524%0.244CC..  trans-13766.9-178.6-46.4-176.6000109.3Y247 F256 I282 Y310 V311 G317 L318Y247-I315 HydrophobicContact CD1-CG2 4.39Å; Y247-I315 HydrophobicContact CE1-CG2 3.61Å; Y247-I315 HydrophobicContact CE2-CG2 4.12Å; Y247-I315 VanDerWaalsContact CZ-CG2 3.43Å; Y247-I315 WeakPolarHBondContact OH-CG2 3.17Å; F256-I315 HydrophobicContact CE1-CD1 4.14Å; F256-I315 HydrophobicContact CE2-CD1 4.48Å; F256-I315 HydrophobicContact CZ-CD1 3.71Å; I282-I315 HydrophobicContact CD1-CD1 3.64Å; Y310-I315 HydrophobicContact CE1-CD1 4.14Å; Y310-I315 HydrophobicContact CE1-CG1 4.44Å; V311-I315 CarbonylContact O-C 3.54Å; V311-I315 WeakPolarHBondContact O-CA 3.44Å; V311-I315 PolarHBondContact O-N 2.87Å; I315-G317 PolarHBondContact O-N 2.93Å; I315-L318 HydrophobicContact CB-CD1 4.05Å; I315-L318 HydrophobicContact CB-CG 4.4Å; I315-L318 HydrophobicContact CG2-CD1 3.59Å; I315-L318 HydrophobicContact CG2-CG 3.7Å; I315-L318 PolarHBondContact O-N 2.96Å
316P96.7Very high97.2Very high59 Ų5942.7 Ų42.738%0.38324%0.235SC..THydrogen-bonded Turntrans-65.3-13.5-169.827.3-36.5000114.1V143 K242 L318V143-P316 HydrophobicContact CG2-CG 4.3Å; K242-P316 WeakPolarHBondContact CD-O 3.23Å; K242-P316 PolarHBondContact NZ-O 2.72Å; P316-L318 PolarHBondContact O-N 3.36Å
317G97.2Very high97.1Very high20 Ų2043 Ų4321%0.20624%0.24CC..THydrogen-bonded Turntrans-74.7-1.3172.700000114.3K242 Y247 I315K242-G317 VanDerWaalsContact CB-O 3.3Å; K242-G317 WeakPolarHBondContact CB-O 3.41Å; K242-G317 WeakPolarHBondContact CG-O 3.4Å; K242-G317 PolarHBondContact N-O 3.23Å; Y247-G317 VanDerWaalsContact OH-CA 3.25Å; Y247-G317 WeakPolarHBondContact OH-CA 3.15Å; Y247-G317 PolarHBondContact OH-N 2.61Å; I315-G317 PolarHBondContact O-N 2.93Å
318L98.4Very high96.9Very high1 Ų143.3 Ų43.31%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-102.6149.3174.3-60.6178.2000111.7W239 K240 E241 K242 Y247 V280 I282 V311 I315 P316W239-L318 HydrophobicContact CB-CB 4.4Å; W239-L318 HydrophobicContact CB-CD1 3.95Å; K240-L318 WeakPolarHBondContact O-CA 3.38Å; E241-L318 HydrophobicContact CB-CD2 4.44Å; E241-L318 HydrophobicContact CG-CD2 3.97Å; K242-L318 WeakPolarHBondContact CE-O 3.3Å; K242-L318 PolarHBondContact NZ-O 3.02Å; Y247-L318 HydrophobicContact CD2-CD2 3.72Å; Y247-L318 HydrophobicContact CD2-CG 4.38Å; Y247-L318 HydrophobicContact CE2-CD2 3.75Å; Y247-L318 HydrophobicContact CE2-CG 4.02Å; V280-L318 HydrophobicContact CB-CD1 4.23Å; V280-L318 HydrophobicContact CB-CD2 4.19Å; V280-L318 HydrophobicContact CG2-CD1 4.48Å; V280-L318 HydrophobicContact CG2-CD2 3.72Å; I282-L318 HydrophobicContact CD1-CD1 3.41Å; I282-L318 VanDerWaalsContact CD1-CD1 3.41Å; V311-L318 HydrophobicContact CG1-CB 3.65Å; V311-L318 HydrophobicContact CG1-CD1 4.08Å; V311-L318 HydrophobicContact CG1-CG 4.47Å; I315-L318 HydrophobicContact CB-CD1 4.05Å; I315-L318 HydrophobicContact CB-CG 4.4Å; I315-L318 HydrophobicContact CG2-CD1 3.59Å; I315-L318 HydrophobicContact CG2-CG 3.7Å; I315-L318 PolarHBondContact O-N 2.96Å; P316-L318 PolarHBondContact O-N 3.36Å
319V98.4Very high96.9Very high53 Ų5340.8 Ų40.832%0.32123%0.231SC..EExtended strand (participates in β ladder)trans-68123.6164.7179.70000107.3K240 K242 E321K240-V319 HydrophobicContact CB-CB 4.33Å; K240-V319 HydrophobicContact CB-CG2 4.19Å; K240-V319 PolarHBondContact O-N 2.76Å; K242-V319 HydrophobicContact CG-CG2 4.08Å; V319-E321 HydrophobicContact CG1-CB 4.28Å; V319-E321 PolarHBondContact O-N 3.02Å
320P97Very high97Very high46 Ų4635.6 Ų35.630%0.29921%0.211SC..EExtended strand (participates in β ladder)trans-8038.6-17535.5-37.8000112.5K308K308-P320 WeakPolarHBondContact CG-O 3.14Å
321E98.1Very high97.1Very high98 Ų9835.8 Ų35.846%0.45821%0.213SC..EExtended strand (participates in β ladder)trans-137.7130.1172.5-74-62.9151.900107.9K308 V319 A323K308-E321 VanDerWaalsContact CE-CD 3.48Å; K308-E321 WeakPolarHBondContact CE-OE1 3.12Å; K308-E321 WeakPolarHBondContact CE-OE2 3.19Å; K308-E321 IonicContact NZ-OE1 3.51Å; K308-E321 PolarHBondContact NZ-OE1 3.24Å; K308-E321 IonicContact NZ-OE2 3.77Å; K308-E321 PolarHBondContact NZ-OE2 2.75Å; V319-E321 HydrophobicContact CG1-CB 4.28Å; V319-E321 PolarHBondContact O-N 3.02Å; E321-A323 PolarHBondContact O-N 3.46Å
322P97.9Very high97.1Very high30 Ų3036.6 Ų36.620%0.19522%0.218CC..EExtended strand (participates in β ladder)trans-67.6127.5179.229.2-34.3000109.8C237 Y238 W239 I304 V325C237-P322 HydrophobicContact CB-CB 4.13Å; Y238-P322 CarbonylContact O-C 3.55Å; Y238-P322 WeakPolarHBondContact O-CA 3.18Å; W239-P322 HydrophobicContact CH2-CB 4.48Å; W239-P322 HydrophobicContact CZ2-CB 4.36Å; I304-P322 HydrophobicContact CG2-CG 3.84Å; P322-V325 HydrophobicContact CB-CG2 3.83Å; P322-V325 HydrophobicContact CG-CG2 3.87Å
323A98.2Very high97.2Very high57 Ų5733.5 Ų33.547%0.47120%0.195SC..EExtended strand (participates in β ladder)trans-77.4-31.2175.500000111.8Y238 K240 L279 E321Y238-A323 PolarHBondContact O-N 2.8Å; K240-A323 HydrophobicContact CB-CB 4.39Å; L279-A323 HydrophobicContact CD1-CB 4.14Å; L279-A323 HydrophobicContact CD2-CB 3.89Å; E321-A323 PolarHBondContact O-N 3.46Å
324V97.8Very high97.2Very high45 Ų4533 Ų3327%0.27320%0.204SC..EExtended strand (participates in β ladder)trans-137.9138.7176.2179.70000108.6Y238 Y276 L279 E326Y238-V324 HydrophobicContact CD2-CB 4.01Å; Y238-V324 HydrophobicContact CD2-CG1 4.08Å; Y238-V324 HydrophobicContact CG-CB 4.36Å; Y238-V324 PolarHBondContact N-O 3.06Å; Y238-V324 PolarHBondContact O-N 2.76Å; Y276-V324 HydrophobicContact CE2-CG1 4.49Å; L279-V324 HydrophobicContact CD1-CB 4.5Å; L279-V324 HydrophobicContact CD1-CG2 3.85Å; V324-E326 HydrophobicContact CG1-CG 4.2Å
325V96.6Very high97.2Very high64 Ų6435.7 Ų35.739%0.38822%0.218SC..EExtended strand (participates in β ladder)trans-127.2115.6171.4-176.10000108.4N235 V236 I304 P322N235-V325 HydrophobicContact CB-CG1 4.07Å; V236-V325 WeakPolarHBondContact O-CA 3.34Å; I304-V325 HydrophobicContact CD1-CG1 4.04Å; I304-V325 HydrophobicContact CD1-CG2 4.09Å; P322-V325 HydrophobicContact CB-CG2 3.83Å; P322-V325 HydrophobicContact CG-CG2 3.87Å
326E95Very high97.2Very high44 Ų4440.3 Ų40.321%0.20624%0.235CC..EExtended strand (participates in β ladder)trans-101.7168.5171.1-64.1178-170.900110.6V236 Y238 Y276 V324V236-E326 HydrophobicContact CB-CB 4.12Å; V236-E326 PolarHBondContact N-O 3.38Å; V236-E326 PolarHBondContact O-N 2.94Å; Y238-E326 HydrophobicContact CE2-CG 4.14Å; Y276-E326 WeakPolarHBondContact CE2-OE1 3.35Å; Y276-E326 PolarHBondContact OH-OE1 2.86Å; V324-E326 HydrophobicContact CG1-CG 4.2Å
327S93.8Very high97.2Very high33 Ų3339.2 Ų39.223%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-119.9139.5177.7-65.20000111.6H59 K233 I234H59-S327 PolarHBondContact CE1-O 3.32Å; H59-S327 PolarHBondContact NE2-O 3.28Å; K233-S327 WeakPolarHBondContact CE-OG 3.25Å; I234-S327 WeakPolarHBondContact O-CA 3.45Å
328C95.1Very high97.2Very high7 Ų738.3 Ų38.35%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-137.2-176174.1-173.20000109.1K233 I234 V236K233-C328 WeakPolarHBondContact CA-O 3.33Å; I234-C328 HydrophobicContact CB-CB 4.36Å; I234-C328 PolarHBondContact N-O 2.92Å; I234-C328 PolarHBondContact O-N 3.39Å; V236-C328 HydrophobicContact CG2-CB 4.04Å
329M97.7Very high97.2Very high0 Ų038.2 Ų38.20%022%0.215CC..EExtended strand (participates in β ladder)trans-137.1145.1172.7-69.2-178.4-75.500112.4R55 S57 P214 W215 T231 V232 T290 P292 R295R55-M329 WeakPolarHBondContact O-CE 3.26Å; S57-M329 VanDerWaalsContact CB-O 3.25Å; S57-M329 WeakPolarHBondContact CB-O 3.34Å; S57-M329 PolarHBondContact OG-O 3.48Å; P214-M329 HydrophobicContact CB-CE 4.44Å; P214-M329 HydrophobicContact CB-SD 4.35Å; P214-M329 HydrophobicContact CG-CB 4.07Å; P214-M329 HydrophobicContact CG-CE 3.94Å; P214-M329 HydrophobicContact CG-SD 4.12Å; W215-M329 HydrophobicContact CH2-CE 3.65Å; W215-M329 HydrophobicContact CZ3-CE 3.99Å; T231-M329 HydrophobicContact CG2-CB 4.31Å; T231-M329 HydrophobicContact CG2-CG 4.3Å; T231-M329 HydrophobicContact CG2-SD 3.78Å; V232-M329 VanDerWaalsContact O-CA 3.22Å; V232-M329 WeakPolarHBondContact O-CA 3.32Å; T290-M329 HydrophobicContact CG2-SD 4.42Å; P292-M329 HydrophobicContact CB-CE 4.07Å; P292-M329 HydrophobicContact CB-SD 3.73Å; R295-M329 HydrophobicContact CB-SD 3.98Å; R295-M329 VanDerWaalsContact CD-CG 3.44Å; R295-M329 HydrophobicContact CG-CG 3.81Å; R295-M329 HydrophobicContact CG-SD 3.94Å
330Y98.4Very high97.2Very high21 Ų2135.7 Ų35.78%0.08220%0.2CC..EExtended strand (participates in β ladder)trans-108.2151.3161.4-64.4-11.4000110.3T231 V232 I234 H285 L332 G357T231-Y330 WeakPolarHBondContact CA-O 3.38Å; V232-Y330 PolarHBondContact N-O 3.09Å; V232-Y330 PolarHBondContact O-N 3.27Å; I234-Y330 HydrophobicContact CD1-CD1 4.38Å; I234-Y330 HydrophobicContact CD1-CD2 3.54Å; I234-Y330 HydrophobicContact CD1-CE2 3.86Å; I234-Y330 HydrophobicContact CD1-CG 3.83Å; I234-Y330 HydrophobicContact CG1-CD1 3.69Å; I234-Y330 HydrophobicContact CG1-CD2 3.78Å; I234-Y330 HydrophobicContact CG1-CE1 3.92Å; I234-Y330 HydrophobicContact CG1-CE2 4.01Å; I234-Y330 HydrophobicContact CG1-CG 3.61Å; H285-Y330 AromaticContact CE1-CE2 3.64Å; H285-Y330 AromaticContact CE1-CZ 3.82Å; H285-Y330 PolarHBondContact CE1-OH 3Å; H285-Y330 AromaticContact ND1-CE2 3.57Å; H285-Y330 AromaticContact ND1-CZ 3.79Å; H285-Y330 PolarHBondContact ND1-OH 2.74Å; Y330-L332 HydrophobicContact CD2-CD2 4.4Å; Y330-G357 VanDerWaalsContact CE1-CA 3.42Å
331T98.5Very high97.2Very high9 Ų934.4 Ų34.46%0.05519%0.191CC..EExtended strand (participates in β ladder)trans-119101.7171.2-50.30000107.5P214 L229 E230 G354 F355 S356P214-T331 VanDerWaalsContact CA-OG1 3.23Å; P214-T331 WeakPolarHBondContact CA-OG1 3.02Å; P214-T331 WeakPolarHBondContact CD-OG1 3.48Å; P214-T331 WeakPolarHBondContact CG-OG1 3.32Å; L229-T331 HydrophobicContact CB-CG2 3.93Å; L229-T331 HydrophobicContact CD1-CG2 4.06Å; L229-T331 HydrophobicContact CD2-CG2 4.29Å; L229-T331 HydrophobicContact CG-CG2 4.3Å; E230-T331 CarbonylContact O-C 3.56Å; E230-T331 WeakPolarHBondContact O-CA 3.34Å; T331-G354 CarbonylContact O-C 3.44Å; T331-G354 WeakPolarHBondContact O-CA 3.44Å; T331-F355 PolarHBondContact O-N 3.24Å; T331-S356 WeakPolarHBondContact O-CA 3.49Å; T331-S356 PolarHBondContact O-N 3.05Å
332L98.5Very high97.2Very high18 Ų1832.8 Ų32.89%0.09418%0.181CC..EExtended strand (participates in β ladder)trans-88.1137.1-171.7-51-177.3000110.2L229 E230 V232 I286 Y330L229-L332 CarbonylContact C-O 3.59Å; L229-L332 VanDerWaalsContact CA-O 3.32Å; L229-L332 WeakPolarHBondContact CA-O 3.36Å; E230-L332 PolarHBondContact N-O 3.39Å; E230-L332 PolarHBondContact O-N 3.28Å; V232-L332 HydrophobicContact CG1-CD1 4.02Å; V232-L332 HydrophobicContact CG2-CD1 4.07Å; V232-L332 HydrophobicContact CG2-CG 4.2Å; I286-L332 HydrophobicContact CD1-CD1 4.03Å; I286-L332 HydrophobicContact CG1-CD1 4.42Å; Y330-L332 HydrophobicContact CD2-CD2 4.4Å
333T98.4Very high97.2Very high5 Ų531.5 Ų31.53%0.03117%0.172CC..  trans-90.8160.915743.80000109.8L229 D335 R336 H337 V339 S356 F391L229-T333 HydrophobicContact CD2-CG2 3.65Å; T333-D335 PolarHBondContact O-N 2.87Å; T333-D335 PolarHBondContact OG1-OD1 2.86Å; T333-R336 PolarHBondContact O-N 2.6Å; T333-R336 VanDerWaalsContact OG1-CA 3.29Å; T333-R336 WeakPolarHBondContact OG1-CA 2.98Å; T333-R336 PolarHBondContact OG1-N 3.49Å; T333-H337 WeakPolarHBondContact CB-O 3.4Å; T333-H337 WeakPolarHBondContact CG2-O 3.47Å; T333-H337 PolarHBondContact OG1-N 3.37Å; T333-H337 VanDerWaalsContact OG1-N 3.12Å; T333-H337 PolarHBondContact OG1-O 3.12Å; T333-V339 HydrophobicContact CG2-CG2 3.83Å; T333-S356 PolarHBondContact N-OG 3.12Å; T333-S356 VanDerWaalsContact N-OG 3.14Å; T333-S356 PolarHBondContact OG1-OG 3.28Å; T333-F391 HydrophobicContact CG2-CE2 4.09Å; T333-F391 HydrophobicContact CG2-CZ 4.06Å
334P96.8Very high97Very high80 Ų8032.3 Ų32.352%0.51917%0.172SC..THydrogen-bonded Turntrans-61.1-32.8-178.5-23.335.9000113P228 F391P228-P334 HydrophobicContact CB-CG 3.77Å; P228-P334 HydrophobicContact CG-CG 3.86Å; P228-P334 VanDerWaalsContact O-CD 3.3Å; P228-P334 WeakPolarHBondContact O-CD 3.06Å; P334-F391 HydrophobicContact CB-CE1 4.5Å; P334-F391 HydrophobicContact CG-CE1 4.18Å
335D95.8Very high96.8Very high58 Ų5835.9 Ų35.931%0.3119%0.19SC..THydrogen-bonded Turntrans-983.2178.766.51000113.5T333 H337 R390 F391T333-D335 PolarHBondContact O-N 2.87Å; T333-D335 PolarHBondContact OG1-OD1 2.86Å; D335-H337 PolarHBondContact O-CD2 3.29Å; D335-H337 VanDerWaalsContact O-CD2 3.3Å; D335-H337 PolarHBondContact O-N 3.17Å; D335-H337 WeakPolarHBondContact OD1-CB 3.27Å; D335-H337 PolarHBondContact OD1-N 2.78Å; D335-H337 IonicContact OD2-CD2 2.75Å; D335-R390 IonicContact OD1-NE 2.93Å; D335-R390 IonicContact OD1-NH2 2.77Å; D335-R390 PolarHBondContact OD1-NH2 3.47Å; D335-R390 WeakPolarHBondContact OD2-CD 3.49Å; D335-R390 IonicContact OD2-CZ 3.66Å; D335-R390 IonicContact OD2-NE 2.85Å; D335-R390 PolarHBondContact OD2-NE 3.21Å; D335-R390 IonicContact OD2-NH2 3.67Å; D335-F391 HydrophobicContact CB-CE1 4.48Å; D335-F391 WeakPolarHBondContact OD1-CZ 3.33Å
336R96.1Very high96.8Very high98 Ų9836.6 Ų36.637%0.3719%0.186SC..SBendtrans57.115.5-176.1-53.8-173.8177.9-165.22.1115E266 T333 S356 H358E266-R336 VanDerWaalsContact CD-NH2 3.27Å; E266-R336 IonicContact OE1-CZ 2.64Å; E266-R336 IonicContact OE1-NH1 2.69Å; E266-R336 IonicContact OE1-NH2 2.69Å; E266-R336 PolarHBondContact OE1-NH2 2.97Å; E266-R336 IonicContact OE2-CZ 2.98Å; E266-R336 IonicContact OE2-NH1 3.62Å; E266-R336 PolarHBondContact OE2-NH1 3.04Å; E266-R336 IonicContact OE2-NH2 3.63Å; E266-R336 PolarHBondContact OE2-NH2 2.65Å; E266-R336 VanDerWaalsContact OE2-NH2 3.11Å; T333-R336 PolarHBondContact O-N 2.6Å; T333-R336 VanDerWaalsContact OG1-CA 3.29Å; T333-R336 WeakPolarHBondContact OG1-CA 2.98Å; T333-R336 PolarHBondContact OG1-N 3.49Å; R336-S356 WeakPolarHBondContact CA-OG 3.37Å; R336-S356 WeakPolarHBondContact O-CB 3.31Å; R336-H358 PolarHBondContact O-NE2 2.92Å
337H97.6Very high96.9Very high37 Ų3739.1 Ų39.117%0.17121%0.209CC..  trans-91.9154.3172.2-72.9-74.3000112.3Y74 T333 D335 F386 R390Y74-H337 AromaticContact CE2-CE1 3.61Å; Y74-H337 AromaticContact CE2-ND1 3.42Å; Y74-H337 WeakPolarHBondContact CE2-ND1 3.4Å; Y74-H337 AromaticContact CZ-ND1 3.44Å; Y74-H337 WeakPolarHBondContact OH-CA 3.29Å; Y74-H337 PolarHBondContact OH-ND1 3.36Å; T333-H337 WeakPolarHBondContact CB-O 3.4Å; T333-H337 WeakPolarHBondContact CG2-O 3.47Å; T333-H337 PolarHBondContact OG1-N 3.37Å; T333-H337 VanDerWaalsContact OG1-N 3.12Å; T333-H337 PolarHBondContact OG1-O 3.12Å; D335-H337 PolarHBondContact O-CD2 3.29Å; D335-H337 VanDerWaalsContact O-CD2 3.3Å; D335-H337 PolarHBondContact O-N 3.17Å; D335-H337 WeakPolarHBondContact OD1-CB 3.27Å; D335-H337 PolarHBondContact OD1-N 2.78Å; D335-H337 IonicContact OD2-CD2 2.75Å; H337-F386 HydrophobicContact CB-CD1 4.21Å; H337-F386 HydrophobicContact CB-CE1 4.29Å; H337-F386 AromaticContact ND1-CE1 3.97Å; H337-R390 PolarHBondContact O-NH2 3.2Å
338F98.1Very high97Very high0 Ų038.6 Ų38.60%020%0.203CC..  trans-64.4158178.3-52.4-23.7000112.1Y74 L340 F355 H358 F362 I366 F386 R390Y74-F338 HydrophobicContact CD1-CE2 4.13Å; Y74-F338 HydrophobicContact CD1-CZ 4.41Å; Y74-F338 AromaticContact CE1-CD2 3.87Å; Y74-F338 HydrophobicContact CE1-CD2 3.87Å; Y74-F338 HydrophobicContact CE1-CE1 4.31Å; Y74-F338 AromaticContact CE1-CE2 3.46Å; Y74-F338 HydrophobicContact CE1-CE2 3.46Å; Y74-F338 VanDerWaalsContact CE1-CE2 3.46Å; Y74-F338 HydrophobicContact CE1-CG 4.44Å; Y74-F338 AromaticContact CE1-CZ 3.71Å; Y74-F338 HydrophobicContact CE1-CZ 3.71Å; F338-L340 HydrophobicContact CB-CD1 4.44Å; F338-L340 HydrophobicContact CB-CG 4.21Å; F338-F355 HydrophobicContact CB-CD1 4.28Å; F338-F355 HydrophobicContact CB-CE1 4.4Å; F338-F355 HydrophobicContact CD1-CB 4.36Å; F338-F355 AromaticContact CD1-CD1 3.79Å; F338-F355 HydrophobicContact CD1-CD1 3.79Å; F338-F355 HydrophobicContact CD2-CD1 4.39Å; F338-F355 HydrophobicContact CE1-CB 4.36Å; F338-F355 HydrophobicContact CE1-CD1 4.17Å; F338-F355 AromaticContact CG-CD1 3.9Å; F338-F355 HydrophobicContact CG-CD1 3.9Å; F338-F355 HydrophobicContact CG-CE1 4.35Å; F338-H358 AromaticContact CE1-CD2 3.89Å; F338-H358 AromaticContact CE1-CE1 3.21Å; F338-H358 WeakPolarHBondContact CE1-CE1 3.49Å; F338-H358 AromaticContact CE1-ND1 3.74Å; F338-H358 AromaticContact CE1-NE2 3.28Å; F338-H358 VanDerWaalsContact CE1-NE2 3.28Å; F338-H358 WeakPolarHBondContact CE1-NE2 3.45Å; F338-H358 AromaticContact CZ-CE1 3.34Å; F338-H358 WeakPolarHBondContact CZ-CE1 3.42Å; F338-H358 AromaticContact CZ-ND1 3.63Å; F338-H358 AromaticContact CZ-NE2 3.91Å; F338-F362 HydrophobicContact CE2-CB 4.31Å; F338-F362 HydrophobicContact CE2-CD1 4.48Å; F338-F362 AromaticContact CE2-CD2 3.69Å; F338-F362 HydrophobicContact CE2-CD2 3.69Å; F338-F362 HydrophobicContact CE2-CE2 4Å; F338-F362 AromaticContact CE2-CG 3.94Å; F338-F362 HydrophobicContact CE2-CG 3.94Å; F338-F362 AromaticContact CZ-CD2 3.51Å; F338-F362 HydrophobicContact CZ-CD2 3.51Å; F338-F362 AromaticContact CZ-CE2 3.65Å; F338-F362 HydrophobicContact CZ-CE2 3.65Å; F338-F362 HydrophobicContact CZ-CG 4.23Å; F338-I366 HydrophobicContact CD2-CD1 3.76Å; F338-I366 HydrophobicContact CE2-CD1 3.69Å; F338-I366 HydrophobicContact CZ-CD1 4.49Å; F338-F386 HydrophobicContact CB-CD1 3.88Å; F338-F386 HydrophobicContact CB-CE1 4.26Å; F338-F386 HydrophobicContact CB-CG 4.18Å; F338-F386 HydrophobicContact CD2-CE1 4.29Å; F338-F386 HydrophobicContact CD2-CZ 4.24Å; F338-F386 HydrophobicContact CG-CE1 4.42Å; F338-F386 WeakPolarHBondContact O-CA 3.11Å; F338-F386 WeakPolarHBondContact O-CB 3.44Å; F338-R390 VanDerWaalsContact O-CZ 3.26Å; F338-R390 PolarHBondContact O-NH1 3.07Å; F338-R390 VanDerWaalsContact O-NH1 3.08Å; F338-R390 PolarHBondContact O-NH2 3.41Å
339V98.4Very high97.2Very high0 Ų038.3 Ų38.30%020%0.201CC..EExtended strand (participates in β ladder)trans-110.6113.9165.91790000107.8L227 T333 G352 A353 F386 I388 F391L227-V339 HydrophobicContact CD1-CB 4.46Å; L227-V339 HydrophobicContact CD1-CG1 3.99Å; L227-V339 HydrophobicContact CD1-CG2 4.49Å; L227-V339 HydrophobicContact CD2-CG1 4.25Å; T333-V339 HydrophobicContact CG2-CG2 3.83Å; V339-G352 CarbonylContact O-C 3.33Å; V339-G352 WeakPolarHBondContact O-CA 3.41Å; V339-A353 HydrophobicContact CB-CB 4.37Å; V339-A353 PolarHBondContact N-O 3.41Å; V339-A353 PolarHBondContact O-N 2.72Å; V339-F386 WeakPolarHBondContact CA-O 3.37Å; V339-I388 HydrophobicContact CG1-CD1 4.09Å; V339-I388 HydrophobicContact CG1-CG1 3.4Å; V339-F391 HydrophobicContact CG2-CE2 3.94Å
340L98.1Very high97.2Very high0 Ų038.3 Ų38.30%020%0.201CC..EExtended strand (participates in β ladder)trans-133.699.3178.5-56.4175.3000107.2F338 I351 F355 I366 L369 L370 F383 F386F338-L340 HydrophobicContact CB-CD1 4.44Å; F338-L340 HydrophobicContact CB-CG 4.21Å; L340-I351 WeakPolarHBondContact CA-O 3.35Å; L340-F355 HydrophobicContact CD2-CE1 4.08Å; L340-F355 HydrophobicContact CD2-CZ 4.37Å; L340-I366 HydrophobicContact CD1-CG1 4.19Å; L340-I366 HydrophobicContact CD2-CG2 3.79Å; L340-L369 HydrophobicContact CB-CD2 4.27Å; L340-L369 HydrophobicContact CD1-CD2 3.5Å; L340-L369 VanDerWaalsContact CD1-CD2 3.5Å; L340-L369 HydrophobicContact CG-CD2 4.45Å; L340-L370 HydrophobicContact CD2-CD2 4.01Å; L340-L370 HydrophobicContact CD2-CG 4.37Å; L340-F383 HydrophobicContact CB-CD2 4.37Å; L340-F383 VanDerWaalsContact O-CD2 3.23Å; L340-F383 WeakPolarHBondContact O-CD2 3.21Å; L340-F383 VanDerWaalsContact O-CE2 3.26Å; L340-F383 WeakPolarHBondContact O-CE2 3.4Å; L340-F386 HydrophobicContact CB-CB 4.02Å; L340-F386 HydrophobicContact CD1-CB 4.3Å; L340-F386 HydrophobicContact CD1-CD2 3.76Å; L340-F386 HydrophobicContact CD1-CE2 4.47Å; L340-F386 HydrophobicContact CD1-CG 4.23Å; L340-F386 HydrophobicContact CG-CB 4.15Å; L340-F386 PolarHBondContact N-O 2.76Å
341D97.5Very high97.2Very high19 Ų1937.3 Ų37.310%0.10220%0.197CC..EExtended strand (participates in β ladder)trans-163.3172.6-174.9-146.1-9000112.7I351 K387 I388D341-I351 PolarHBondContact N-O 2.81Å; D341-I351 VanDerWaalsContact N-O 3.11Å; D341-I351 PolarHBondContact O-N 2.64Å; D341-K387 HydrophobicContact CB-CD 4.36Å; D341-K387 VanDerWaalsContact OD1-CD 3.23Å; D341-K387 WeakPolarHBondContact OD1-CD 3.41Å; D341-K387 IonicContact OD1-NZ 3.55Å; D341-K387 PolarHBondContact OD1-NZ 2.68Å; D341-K387 WeakPolarHBondContact OD2-CA 3.29Å; D341-K387 WeakPolarHBondContact OD2-CD 3.49Å; D341-I388 HydrophobicContact CB-CB 4.31Å; D341-I388 HydrophobicContact CB-CD1 3.77Å; D341-I388 HydrophobicContact CB-CG1 3.68Å; D341-I388 PolarHBondContact OD2-N 3.45Å
342Y97.1Very high97.2Very high63 Ų6336.9 Ų36.925%0.24720%0.195CC..EExtended strand (participates in β ladder)trans-74.8153.3164.6-59.2-80.6000110.9S347 I349 V350 L373 I388Y342-S347 WeakPolarHBondContact CD1-O 3.09Å; Y342-I349 CarbonylContact C-O 3.11Å; Y342-I349 WeakPolarHBondContact CA-O 3.41Å; Y342-V350 HydrophobicContact CD1-CG2 3.85Å; Y342-V350 HydrophobicContact CE1-CG2 3.95Å; Y342-L373 HydrophobicContact CE1-CB 4.28Å; Y342-L373 VanDerWaalsContact CE1-O 3.24Å; Y342-L373 WeakPolarHBondContact CE1-O 3.5Å; Y342-L373 HydrophobicContact CE2-CD2 3.67Å; Y342-L373 PolarHBondContact OH-O 3.5Å; Y342-I388 WeakPolarHBondContact O-CD1 3.41Å
343H96.9Very high97.2Very high4 Ų436 Ų362%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-60.2134.5165.5-176-77.3000109.4T223 F225 N345 Y346 I349 I351T223-H343 PolarHBondContact OG1-NE2 2.88Å; F225-H343 WeakPolarHBondContact CB-NE2 3.44Å; F225-H343 AromaticContact CG-NE2 3.95Å; H343-N345 PolarHBondContact ND1-N 3.39Å; H343-N345 VanDerWaalsContact ND1-N 3.12Å; H343-N345 PolarHBondContact O-N 3.04Å; H343-Y346 WeakPolarHBondContact CB-O 3.2Å; H343-Y346 AromaticContact CE1-CD2 3.35Å; H343-Y346 WeakPolarHBondContact CE1-CD2 3.3Å; H343-Y346 AromaticContact CE1-CE2 3.63Å; H343-Y346 AromaticContact CG-CD2 3.87Å; H343-Y346 AromaticContact ND1-CD2 3.2Å; H343-Y346 WeakPolarHBondContact ND1-CD2 3.42Å; H343-Y346 AromaticContact ND1-CE2 3.94Å; H343-Y346 AromaticContact ND1-CG 3.93Å; H343-Y346 PolarHBondContact ND1-N 2.81Å; H343-Y346 PolarHBondContact O-N 3.38Å; H343-Y346 VanDerWaalsContact O-N 3.13Å; H343-I349 HydrophobicContact CB-CB 3.82Å; H343-I349 HydrophobicContact CB-CG2 3.99Å; H343-I349 PolarHBondContact N-O 2.69Å; H343-I351 HydrophobicContact CB-CD1 4.17Å
344P94.8Very high97.2Very high73 Ų7335.8 Ų35.847%0.47419%0.189SC..THydrogen-bonded Turntrans-55-33.3-173.1-28.434.8000114.9F225 I388F225-P344 HydrophobicContact CD2-CG 4.12Å; F225-P344 HydrophobicContact CE1-CG 4.4Å; F225-P344 HydrophobicContact CE2-CG 3.75Å; F225-P344 HydrophobicContact CZ-CG 3.91Å; P344-I388 HydrophobicContact CG-CG2 4.42Å
345N94.8Very high97.3Very high120 Ų12033.3 Ų33.364%0.64217%0.17SC*.THydrogen-bonded Turntrans-104.7-8.6-177.4-57.3-26.2000114.4H343H343-N345 PolarHBondContact ND1-N 3.39Å; H343-N345 VanDerWaalsContact ND1-N 3.12Å; H343-N345 PolarHBondContact O-N 3.04Å
346Y96.4Very high97.4Very high80 Ų8030.8 Ų30.831%0.31416%0.157SC..EExtended strand (participates in β ladder)trans-140.5102.5-170.8-54.5-63.9000110.6P190 H343 N348 I349P190-Y346 HydrophobicContact CB-CD1 3.58Å; P190-Y346 HydrophobicContact CB-CD2 3.79Å; P190-Y346 HydrophobicContact CB-CE1 3.45Å; P190-Y346 VanDerWaalsContact CB-CE1 3.45Å; P190-Y346 HydrophobicContact CB-CE2 3.72Å; P190-Y346 HydrophobicContact CB-CG 3.77Å; P190-Y346 HydrophobicContact CG-CD1 4.38Å; P190-Y346 HydrophobicContact CG-CD2 3.71Å; P190-Y346 HydrophobicContact CG-CE1 4.11Å; P190-Y346 HydrophobicContact CG-CE2 3.43Å; P190-Y346 VanDerWaalsContact CG-CE2 3.43Å; P190-Y346 HydrophobicContact CG-CG 4.22Å; H343-Y346 WeakPolarHBondContact CB-O 3.2Å; H343-Y346 AromaticContact CE1-CD2 3.35Å; H343-Y346 WeakPolarHBondContact CE1-CD2 3.3Å; H343-Y346 AromaticContact CE1-CE2 3.63Å; H343-Y346 AromaticContact CG-CD2 3.87Å; H343-Y346 AromaticContact ND1-CD2 3.2Å; H343-Y346 WeakPolarHBondContact ND1-CD2 3.42Å; H343-Y346 AromaticContact ND1-CE2 3.94Å; H343-Y346 AromaticContact ND1-CG 3.93Å; H343-Y346 PolarHBondContact ND1-N 2.81Å; H343-Y346 PolarHBondContact O-N 3.38Å; H343-Y346 VanDerWaalsContact O-N 3.13Å; Y346-N348 PolarHBondContact O-N 2.79Å; Y346-I349 HydrophobicContact CD2-CD1 4.13Å; Y346-I349 HydrophobicContact CG-CD1 4.26Å; Y346-I349 PolarHBondContact O-N 3.37Å; Y346-I349 VanDerWaalsContact O-N 3.15Å
347S95.3Very high97.5Very high96 Ų9627.2 Ų27.267%0.67115%0.151SC*.EExtended strand (participates in β ladder)trans-67.9-18.5-176.353.30000114.3Y342 I349Y342-S347 WeakPolarHBondContact CD1-O 3.09Å; S347-I349 VanDerWaalsContact C-N 3.34Å
348N97.2Very high97.5Very high23 Ų2326.2 Ų26.212%0.12315%0.146CC..EExtended strand (participates in β ladder)trans-92.49.9175.965.2-24.8000113.7G191 V194 R206 N207 V208 Y346G191-N348 PolarHBondContact O-ND2 2.98Å; V194-N348 VanDerWaalsContact CG2-ND2 3.34Å; V194-N348 WeakPolarHBondContact CG2-ND2 3.37Å; R206-N348 WeakPolarHBondContact O-CB 3.49Å; R206-N348 PolarHBondContact O-ND2 3.23Å; R206-N348 VanDerWaalsContact O-ND2 3.11Å; N207-N348 CarbonylContact C-O 3.59Å; N207-N348 VanDerWaalsContact CA-O 3.3Å; N207-N348 WeakPolarHBondContact CA-O 3.41Å; N207-N348 WeakPolarHBondContact OD1-CB 3.37Å; V208-N348 PolarHBondContact N-O 3.03Å; Y346-N348 PolarHBondContact O-N 2.79Å
349I98.4Very high97.5Very high0 Ų026.4 Ų26.40%015%0.148CC..EExtended strand (participates in β ladder)trans-117.5117.9170.6-58.4179.1000108I188 P190 V194 V208 I210 Y342 H343 Y346 S347I188-I349 HydrophobicContact CG2-CD1 4.35Å; P190-I349 HydrophobicContact CB-CD1 4.24Å; P190-I349 HydrophobicContact CG-CD1 4.07Å; V194-I349 HydrophobicContact CG2-CG1 4.23Å; V208-I349 CarbonylContact O-C 3.6Å; V208-I349 WeakPolarHBondContact O-CA 3.46Å; I210-I349 HydrophobicContact CD1-CG2 3.86Å; I210-I349 HydrophobicContact CG1-CG2 4.35Å; Y342-I349 CarbonylContact C-O 3.11Å; Y342-I349 WeakPolarHBondContact CA-O 3.41Å; H343-I349 HydrophobicContact CB-CB 3.82Å; H343-I349 HydrophobicContact CB-CG2 3.99Å; H343-I349 PolarHBondContact N-O 2.69Å; Y346-I349 HydrophobicContact CD2-CD1 4.13Å; Y346-I349 HydrophobicContact CG-CD1 4.26Å; Y346-I349 PolarHBondContact O-N 3.37Å; Y346-I349 VanDerWaalsContact O-N 3.15Å; S347-I349 VanDerWaalsContact C-N 3.34Å
350V98.6Very high97.5Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-107.1141.7177.2-178.70000109.2V208 V209 I210 Y342 L370 L373V208-V350 PolarHBondContact O-N 3.34Å; V209-V350 CarbonylContact C-O 3.54Å; V209-V350 WeakPolarHBondContact CA-O 3.38Å; V209-V350 HydrophobicContact CG1-CB 4.37Å; V209-V350 HydrophobicContact CG1-CG1 4.44Å; V209-V350 HydrophobicContact CG2-CB 4.23Å; I210-V350 PolarHBondContact N-O 3.43Å; Y342-V350 HydrophobicContact CD1-CG2 3.85Å; Y342-V350 HydrophobicContact CE1-CG2 3.95Å; V350-L370 HydrophobicContact CG1-CD2 3.67Å; V350-L373 HydrophobicContact CG1-CB 3.93Å; V350-L373 HydrophobicContact CG1-CD1 4.07Å; V350-L373 HydrophobicContact CG2-CB 4.11Å
351I98.8Very high97.6Very high0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-121.7124.3-175.6-56.9167.8000109.3T216 L220 F225 L227 L340 D341 H343 A353 I388T216-I351 HydrophobicContact CG2-CG2 4.38Å; L220-I351 HydrophobicContact CD1-CD1 4.22Å; L220-I351 HydrophobicContact CD2-CD1 3.6Å; L220-I351 HydrophobicContact CD2-CG1 4.09Å; F225-I351 HydrophobicContact CD1-CD1 4.44Å; F225-I351 HydrophobicContact CE1-CD1 4.23Å; L227-I351 HydrophobicContact CD1-CG2 4.05Å; L340-I351 WeakPolarHBondContact CA-O 3.35Å; D341-I351 PolarHBondContact N-O 2.81Å; D341-I351 VanDerWaalsContact N-O 3.11Å; D341-I351 PolarHBondContact O-N 2.64Å; H343-I351 HydrophobicContact CB-CD1 4.17Å; I351-A353 HydrophobicContact CG2-CB 4Å; I351-I388 HydrophobicContact CD1-CD1 4Å
352G98.7Very high97.6Very high0 Ų026.9 Ų26.90%015%0.149CC..EExtended strand (participates in β ladder)trans-117.9105.1167.400000110.3I210 T211 V339 F355I210-G352 PolarHBondContact O-N 3.28Å; T211-G352 WeakPolarHBondContact CA-O 3.48Å; V339-G352 CarbonylContact O-C 3.33Å; V339-G352 WeakPolarHBondContact O-CA 3.41Å; G352-F355 VanDerWaalsContact O-CE2 3.3Å; G352-F355 WeakPolarHBondContact O-CE2 3.44Å
353A98.6Very high97.7Very high0 Ų023.9 Ų23.90%014%0.138CC..EExtended strand (participates in β ladder)trans-147.4176.9-171.900000113.3T216 L227 L229 V339 I351 F355T216-A353 HydrophobicContact CG2-CB 3.72Å; L227-A353 HydrophobicContact CD1-CB 4.12Å; L229-A353 HydrophobicContact CD1-CB 4.23Å; V339-A353 HydrophobicContact CB-CB 4.37Å; V339-A353 PolarHBondContact N-O 3.41Å; V339-A353 PolarHBondContact O-N 2.72Å; I351-A353 HydrophobicContact CG2-CB 4Å; A353-F355 PolarHBondContact O-N 2.79Å
354G98.1Very high97.8Very high1 Ų123.7 Ų23.71%0.0114%0.137CC..  trans66.835.5169.500000114.4T331 S356T331-G354 CarbonylContact O-C 3.44Å; T331-G354 WeakPolarHBondContact O-CA 3.44Å; G354-S356 PolarHBondContact O-N 2.96Å; G354-S356 PolarHBondContact O-OG 2.6Å
355F98.6Very high97.9Very high27 Ų2720.2 Ų20.212%0.11811%0.114CC..  trans-70.70.7-173.6-61.7-65.4000115.2Q28 T331 F338 L340 G352 A353 G357 H358 G359 I366Q28-F355 HydrophobicContact CB-CE2 4.28Å; Q28-F355 HydrophobicContact CB-CZ 4.2Å; Q28-F355 HydrophobicContact CG-CD2 4.05Å; Q28-F355 HydrophobicContact CG-CE1 4.12Å; Q28-F355 HydrophobicContact CG-CE2 3.58Å; Q28-F355 HydrophobicContact CG-CG 4.5Å; Q28-F355 HydrophobicContact CG-CZ 3.61Å; T331-F355 PolarHBondContact O-N 3.24Å; F338-F355 HydrophobicContact CB-CD1 4.28Å; F338-F355 HydrophobicContact CB-CE1 4.4Å; F338-F355 HydrophobicContact CD1-CB 4.36Å; F338-F355 AromaticContact CD1-CD1 3.79Å; F338-F355 HydrophobicContact CD1-CD1 3.79Å; F338-F355 HydrophobicContact CD2-CD1 4.39Å; F338-F355 HydrophobicContact CE1-CB 4.36Å; F338-F355 HydrophobicContact CE1-CD1 4.17Å; F338-F355 AromaticContact CG-CD1 3.9Å; F338-F355 HydrophobicContact CG-CD1 3.9Å; F338-F355 HydrophobicContact CG-CE1 4.35Å; L340-F355 HydrophobicContact CD2-CE1 4.08Å; L340-F355 HydrophobicContact CD2-CZ 4.37Å; G352-F355 VanDerWaalsContact O-CE2 3.3Å; G352-F355 WeakPolarHBondContact O-CE2 3.44Å; A353-F355 PolarHBondContact O-N 2.79Å; F355-G357 PolarHBondContact O-N 3.21Å; F355-H358 PolarHBondContact O-CD2 3.37Å; F355-H358 PolarHBondContact O-N 2.89Å; F355-G359 PolarHBondContact O-N 2.98Å; F355-I366 HydrophobicContact CD1-CD1 4.1Å; F355-I366 HydrophobicContact CE1-CD1 3.79Å; F355-I366 HydrophobicContact CE1-CG2 4.19Å; F355-I366 HydrophobicContact CZ-CG2 4.38Å
356S98.1Very high98.1Very high6 Ų614.5 Ų14.54%0.0428%0.084CC..THydrogen-bonded Turntrans48.933.4162.3-58.90000115.5T331 T333 R336 G354 H358T331-S356 WeakPolarHBondContact O-CA 3.49Å; T331-S356 PolarHBondContact O-N 3.05Å; T333-S356 PolarHBondContact N-OG 3.12Å; T333-S356 VanDerWaalsContact N-OG 3.14Å; T333-S356 PolarHBondContact OG1-OG 3.28Å; R336-S356 WeakPolarHBondContact CA-OG 3.37Å; R336-S356 WeakPolarHBondContact O-CB 3.31Å; G354-S356 PolarHBondContact O-N 2.96Å; G354-S356 PolarHBondContact O-OG 2.6Å; S356-H358 VanDerWaalsContact C-N 3.31Å; S356-H358 PolarHBondContact O-CD2 3.22Å; S356-H358 PolarHBondContact O-N 3.06Å
357G97.3Very high98.2Very high23 Ų2310.7 Ų10.724%0.2377%0.069CC..THydrogen-bonded Turntrans80.8-1.3177.100000116.9H285 Y330 F355H285-G357 PolarHBondContact CE1-O 2.87Å; Y330-G357 VanDerWaalsContact CE1-CA 3.42Å; F355-G357 PolarHBondContact O-N 3.21Å
358H98Very high98.4Very high16 Ų168.2 Ų8.27%0.0745%0.046CC..THydrogen-bonded Turntrans-128.35.9-175.173.8102.6000115Y69 Y74 R336 F338 F355 S356 F360 K361 F362Y69-H358 AromaticContact CE1-CE1 3.96Å; Y69-H358 AromaticContact CE1-ND1 3.48Å; Y69-H358 WeakPolarHBondContact CE1-ND1 3.46Å; Y69-H358 AromaticContact CZ-ND1 3.73Å; Y69-H358 PolarHBondContact OH-ND1 3.29Å; Y69-H358 VanDerWaalsContact OH-ND1 3.17Å; Y74-H358 AromaticContact CE1-CE1 3.72Å; Y74-H358 AromaticContact CE2-CE1 3.97Å; Y74-H358 AromaticContact CZ-CE1 3.5Å; Y74-H358 VanDerWaalsContact CZ-CE1 3.5Å; Y74-H358 PolarHBondContact OH-CE1 2.82Å; R336-H358 PolarHBondContact O-NE2 2.92Å; F338-H358 AromaticContact CE1-CD2 3.89Å; F338-H358 AromaticContact CE1-CE1 3.21Å; F338-H358 WeakPolarHBondContact CE1-CE1 3.49Å; F338-H358 AromaticContact CE1-ND1 3.74Å; F338-H358 AromaticContact CE1-NE2 3.28Å; F338-H358 VanDerWaalsContact CE1-NE2 3.28Å; F338-H358 WeakPolarHBondContact CE1-NE2 3.45Å; F338-H358 AromaticContact CZ-CE1 3.34Å; F338-H358 WeakPolarHBondContact CZ-CE1 3.42Å; F338-H358 AromaticContact CZ-ND1 3.63Å; F338-H358 AromaticContact CZ-NE2 3.91Å; F355-H358 PolarHBondContact O-CD2 3.37Å; F355-H358 PolarHBondContact O-N 2.89Å; S356-H358 VanDerWaalsContact C-N 3.31Å; S356-H358 PolarHBondContact O-CD2 3.22Å; S356-H358 PolarHBondContact O-N 3.06Å; H358-F360 PolarHBondContact O-N 2.89Å; H358-K361 PolarHBondContact O-NZ 2.83Å; H358-F362 AromaticContact ND1-CE2 3.8Å
359G98.1Very high98.4Very high4 Ų47.1 Ų7.14%0.0414%0.04CC..  trans-72.2-22.5-175.500000118Q28 F355 K361 F362Q28-G359 PolarHBondContact NE2-O 2.91Å; F355-G359 PolarHBondContact O-N 2.98Å; G359-K361 VanDerWaalsContact C-N 3.32Å; G359-K361 PolarHBondContact O-N 3.43Å; G359-F362 WeakPolarHBondContact O-CB 3.38Å; G359-F362 PolarHBondContact O-N 3.32Å
360F98.8Very high98.4Very high16 Ų167.1 Ų7.17%0.074%0.04CC..G310 helixtrans-55.5-45.2-170.1-170-78.6000113.3V27 R63 W85 L159 A161 A164 H358 F362 G363V27-F360 HydrophobicContact CB-CD2 3.8Å; V27-F360 HydrophobicContact CB-CE2 3.74Å; V27-F360 HydrophobicContact CB-CG 4.45Å; V27-F360 HydrophobicContact CB-CZ 4.34Å; V27-F360 HydrophobicContact CG1-CB 4.49Å; V27-F360 HydrophobicContact CG1-CD2 3.78Å; V27-F360 HydrophobicContact CG1-CE2 4.25Å; V27-F360 HydrophobicContact CG1-CG 4.26Å; V27-F360 HydrophobicContact CG2-CD1 4.36Å; V27-F360 HydrophobicContact CG2-CD2 3.95Å; V27-F360 HydrophobicContact CG2-CE1 4.22Å; V27-F360 HydrophobicContact CG2-CE2 3.81Å; V27-F360 HydrophobicContact CG2-CG 4.21Å; V27-F360 HydrophobicContact CG2-CZ 3.92Å; R63-F360 HydrophobicContact CB-CB 4.46Å; R63-F360 HydrophobicContact CB-CD1 4.02Å; R63-F360 HydrophobicContact CB-CG 4.29Å; R63-F360 HydrophobicContact CG-CB 3.98Å; R63-F360 HydrophobicContact CG-CD1 3.83Å; R63-F360 HydrophobicContact CG-CD2 4.1Å; R63-F360 HydrophobicContact CG-CE1 4.4Å; R63-F360 HydrophobicContact CG-CG 3.7Å; W85-F360 HydrophobicContact CH2-CE1 4.01Å; W85-F360 HydrophobicContact CZ2-CD1 4.47Å; W85-F360 HydrophobicContact CZ2-CE1 4.26Å; L159-F360 HydrophobicContact CD1-CD1 4.25Å; L159-F360 HydrophobicContact CD1-CE1 4.45Å; A161-F360 VanDerWaalsContact CA-CZ 3.44Å; A161-F360 HydrophobicContact CB-CE1 3.87Å; A161-F360 HydrophobicContact CB-CE2 3.78Å; A161-F360 HydrophobicContact CB-CZ 3.42Å; A161-F360 VanDerWaalsContact CB-CZ 3.42Å; A164-F360 HydrophobicContact CB-CE1 4.34Å; A164-F360 HydrophobicContact CB-CZ 4.23Å; H358-F360 PolarHBondContact O-N 2.89Å; F360-F362 PolarHBondContact O-N 3Å; F360-F362 VanDerWaalsContact O-N 3.13Å; F360-G363 PolarHBondContact O-N 3.22Å
361K98.7Very high98.4Very high12 Ų127.2 Ų7.25%0.0524%0.041CC..G310 helixtrans-62.3-20.7-179.468.4-172.976.775.90114.2I64 I65 R66 Y69 M78 W85 L159 H358 G359I64-K361 WeakPolarHBondContact O-CE 3.44Å; I65-K361 HydrophobicContact CB-CB 4.32Å; I65-K361 HydrophobicContact CG1-CB 4.12Å; R66-K361 HydrophobicContact CG-CD 4.19Å; Y69-K361 HydrophobicContact CE2-CD 4.26Å; Y69-K361 WeakPolarHBondContact OH-CD 3.34Å; Y69-K361 PolarHBondContact OH-NZ 3.36Å; M78-K361 HydrophobicContact CE-CB 4.44Å; M78-K361 HydrophobicContact SD-CB 4.3Å; M78-K361 HydrophobicContact SD-CD 4.27Å; M78-K361 HydrophobicContact SD-CG 3.89Å; W85-K361 PolarHBondContact NE1-O 2.97Å; L159-K361 HydrophobicContact CD1-CB 4.15Å; H358-K361 PolarHBondContact O-NZ 2.83Å; G359-K361 VanDerWaalsContact C-N 3.32Å; G359-K361 PolarHBondContact O-N 3.43Å
362F98.6Very high98.4Very high0 Ų08 Ų80%04%0.044CC..G310 helixtrans-92.10.4177.9-59.4-86.4000113.1Y69 Y74 M77 M78 F338 H358 G359 F360 P364 V365 I366Y69-F362 HydrophobicContact CD2-CZ 4.49Å; Y69-F362 HydrophobicContact CE1-CZ 4.39Å; Y69-F362 HydrophobicContact CE2-CE2 4.2Å; Y69-F362 AromaticContact CE2-CZ 3.63Å; Y69-F362 HydrophobicContact CE2-CZ 3.63Å; Y69-F362 AromaticContact CZ-CE2 3.75Å; Y69-F362 AromaticContact CZ-CZ 3.58Å; Y69-F362 WeakPolarHBondContact OH-CE2 3.36Å; Y69-F362 WeakPolarHBondContact OH-CZ 3.33Å; Y74-F362 AromaticContact CD1-CE1 3.81Å; Y74-F362 HydrophobicContact CD1-CE1 3.81Å; Y74-F362 HydrophobicContact CD1-CE2 4.12Å; Y74-F362 AromaticContact CD1-CZ 3.46Å; Y74-F362 HydrophobicContact CD1-CZ 3.46Å; Y74-F362 VanDerWaalsContact CD1-CZ 3.46Å; Y74-F362 HydrophobicContact CE1-CZ 4.33Å; Y74-F362 HydrophobicContact CG-CE1 4.48Å; Y74-F362 AromaticContact CG-CZ 4Å; Y74-F362 HydrophobicContact CG-CZ 4Å; M77-F362 HydrophobicContact CB-CD1 4.16Å; M77-F362 HydrophobicContact CB-CE1 4.1Å; M77-F362 HydrophobicContact CE-CD1 4.14Å; M77-F362 HydrophobicContact SD-CD1 4.49Å; M78-F362 HydrophobicContact CG-CD1 4.12Å; M78-F362 HydrophobicContact CG-CE1 3.53Å; M78-F362 HydrophobicContact CG-CZ 4.06Å; M78-F362 HydrophobicContact SD-CD1 3.6Å; M78-F362 VanDerWaalsContact SD-CD1 3.6Å; M78-F362 HydrophobicContact SD-CE1 3.61Å; M78-F362 HydrophobicContact SD-CG 4.16Å; M78-F362 HydrophobicContact SD-CZ 4.19Å; F338-F362 HydrophobicContact CE2-CB 4.31Å; F338-F362 HydrophobicContact CE2-CD1 4.48Å; F338-F362 AromaticContact CE2-CD2 3.69Å; F338-F362 HydrophobicContact CE2-CD2 3.69Å; F338-F362 HydrophobicContact CE2-CE2 4Å; F338-F362 AromaticContact CE2-CG 3.94Å; F338-F362 HydrophobicContact CE2-CG 3.94Å; F338-F362 AromaticContact CZ-CD2 3.51Å; F338-F362 HydrophobicContact CZ-CD2 3.51Å; F338-F362 AromaticContact CZ-CE2 3.65Å; F338-F362 HydrophobicContact CZ-CE2 3.65Å; F338-F362 HydrophobicContact CZ-CG 4.23Å; H358-F362 AromaticContact ND1-CE2 3.8Å; G359-F362 WeakPolarHBondContact O-CB 3.38Å; G359-F362 PolarHBondContact O-N 3.32Å; F360-F362 PolarHBondContact O-N 3Å; F360-F362 VanDerWaalsContact O-N 3.13Å; F362-P364 VanDerWaalsContact C-N 3.35Å; F362-V365 PolarHBondContact O-N 2.69Å; F362-I366 HydrophobicContact CB-CD1 3.42Å; F362-I366 VanDerWaalsContact CB-CD1 3.42Å; F362-I366 HydrophobicContact CB-CG1 3.87Å; F362-I366 HydrophobicContact CG-CD1 4.38Å; F362-I366 WeakPolarHBondContact O-CB 3.36Å; F362-I366 PolarHBondContact O-N 3.29Å
363G98.6Very high98.3Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-35.7-58.2179.400000114.4F31 F360 V365 G367F31-G363 VanDerWaalsContact CB-O 3.25Å; F31-G363 WeakPolarHBondContact CB-O 3.28Å; F31-G363 VanDerWaalsContact CD2-C 3.48Å; F360-G363 PolarHBondContact O-N 3.22Å; G363-V365 PolarHBondContact O-N 2.79Å; G363-G367 PolarHBondContact O-N 3.27Å
364P98.6Very high98.3Very high1 Ų18.2 Ų8.21%0.0065%0.046CC..Hα-helixtrans-61.5-45.3-178.9-18.525.2000114.5F31 L84 W85 F362 K368F31-P364 HydrophobicContact CD1-CB 3.98Å; F31-P364 HydrophobicContact CD1-CG 4.19Å; F31-P364 HydrophobicContact CE1-CB 3.78Å; F31-P364 HydrophobicContact CE1-CG 3.63Å; F31-P364 HydrophobicContact CE2-CG 4.06Å; F31-P364 HydrophobicContact CZ-CB 4.23Å; F31-P364 HydrophobicContact CZ-CG 3.55Å; L84-P364 HydrophobicContact CB-CB 3.4Å; L84-P364 VanDerWaalsContact CB-CB 3.4Å; L84-P364 HydrophobicContact CB-CG 4.25Å; L84-P364 HydrophobicContact CD1-CB 3.88Å; L84-P364 HydrophobicContact CG-CB 4.3Å; W85-P364 HydrophobicContact CD2-CG 3.57Å; W85-P364 VanDerWaalsContact CE2-CG 3.42Å; W85-P364 HydrophobicContact CE3-CG 4.1Å; W85-P364 HydrophobicContact CG-CG 3.88Å; W85-P364 HydrophobicContact CH2-CG 4.36Å; W85-P364 VanDerWaalsContact CZ2-CD 3.44Å; W85-P364 HydrophobicContact CZ2-CG 3.87Å; W85-P364 HydrophobicContact CZ3-CG 4.46Å; F362-P364 VanDerWaalsContact C-N 3.35Å; P364-K368 WeakPolarHBondContact O-CB 3.19Å; P364-K368 PolarHBondContact O-N 2.98Å
365V98.1Very high98.3Very high0 Ų010.3 Ų10.30%06%0.057CC..Hα-helixtrans-70.1-42.7-177.5177.30000110.7M77 E80 L84 F362 G363 K368 L369 F381M77-V365 HydrophobicContact CB-CG1 4.42Å; M77-V365 HydrophobicContact CE-CG1 3.8Å; E80-V365 HydrophobicContact CB-CG2 4.5Å; L84-V365 HydrophobicContact CD1-CG2 3.87Å; F362-V365 PolarHBondContact O-N 2.69Å; G363-V365 PolarHBondContact O-N 2.79Å; V365-K368 PolarHBondContact O-N 2.77Å; V365-L369 WeakPolarHBondContact O-CB 3.47Å; V365-L369 PolarHBondContact O-N 3.07Å; V365-F381 HydrophobicContact CG1-CD2 3.89Å; V365-F381 HydrophobicContact CG1-CE2 3.56Å; V365-F381 HydrophobicContact CG1-CZ 4.16Å
366I98.6Very high98.1Very high0 Ų012 Ų120%08%0.081CC..Hα-helixtrans-67.1-41.9177.6-71.2171000110.4Q28 M77 F338 L340 F355 F362 K368 L369 L370Q28-I366 HydrophobicContact CB-CG2 4.43Å; Q28-I366 VanDerWaalsContact OE1-CB 3.31Å; Q28-I366 VanDerWaalsContact OE1-CG2 3.28Å; M77-I366 HydrophobicContact CE-CG1 4.27Å; F338-I366 HydrophobicContact CD2-CD1 3.76Å; F338-I366 HydrophobicContact CE2-CD1 3.69Å; F338-I366 HydrophobicContact CZ-CD1 4.49Å; L340-I366 HydrophobicContact CD1-CG1 4.19Å; L340-I366 HydrophobicContact CD2-CG2 3.79Å; F355-I366 HydrophobicContact CD1-CD1 4.1Å; F355-I366 HydrophobicContact CE1-CD1 3.79Å; F355-I366 HydrophobicContact CE1-CG2 4.19Å; F355-I366 HydrophobicContact CZ-CG2 4.38Å; F362-I366 HydrophobicContact CB-CD1 3.42Å; F362-I366 VanDerWaalsContact CB-CD1 3.42Å; F362-I366 HydrophobicContact CB-CG1 3.87Å; F362-I366 HydrophobicContact CG-CD1 4.38Å; F362-I366 WeakPolarHBondContact O-CB 3.36Å; F362-I366 PolarHBondContact O-N 3.29Å; I366-K368 VanDerWaalsContact C-N 3.31Å; I366-K368 PolarHBondContact O-N 2.79Å; I366-L369 PolarHBondContact O-N 3.16Å; I366-L370 HydrophobicContact CG2-CD1 3.67Å; I366-L370 HydrophobicContact CG2-CG 4.06Å; I366-L370 WeakPolarHBondContact O-CB 3.5Å; I366-L370 VanDerWaalsContact O-CG 3.27Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 3.37Å
367G98.7Very high98Very high0 Ų015.6 Ų15.60%010%0.097CC..Hα-helixtrans-61.1-40.7176.200000112.6T32 G363 C371T32-G367 WeakPolarHBondContact OG1-CA 3.48Å; G363-G367 PolarHBondContact O-N 3.27Å; G367-C371 WeakPolarHBondContact O-CB 3.21Å; G367-C371 PolarHBondContact O-N 3.46Å
368K98.4Very high97.8Very high43 Ų4321 Ų2119%0.18713%0.125CC..Hα-helixtrans-60.9-49.4172.3-177.9-174.3172.9-134.60111.2Q35 E80 L84 P364 V365 I366 L370 C371 E372 S380Q35-K368 HydrophobicContact CG-CB 4.29Å; E80-K368 WeakPolarHBondContact OE1-CD 3.19Å; E80-K368 WeakPolarHBondContact OE1-CE 3.47Å; E80-K368 IonicContact OE1-NZ 2.87Å; E80-K368 PolarHBondContact OE1-NZ 2.69Å; E80-K368 IonicContact OE2-NZ 2.81Å; L84-K368 HydrophobicContact CD1-CD 4.43Å; P364-K368 WeakPolarHBondContact O-CB 3.19Å; P364-K368 PolarHBondContact O-N 2.98Å; V365-K368 PolarHBondContact O-N 2.77Å; I366-K368 VanDerWaalsContact C-N 3.31Å; I366-K368 PolarHBondContact O-N 2.79Å; K368-L370 PolarHBondContact O-N 2.78Å; K368-C371 WeakPolarHBondContact O-CB 3.22Å; K368-C371 PolarHBondContact O-N 2.96Å; K368-E372 WeakPolarHBondContact CE-OE1 3.28Å; K368-E372 IonicContact NZ-OE1 2.79Å; K368-E372 WeakPolarHBondContact O-CG 3.33Å; K368-E372 PolarHBondContact O-N 2.95Å; K368-S380 PolarHBondContact NZ-OG 3.3Å
369L97.9Very high97.5Very high1 Ų122 Ų221%0.00513%0.134CC..Hα-helixtrans-61.5-43.5179.6-177.863.5000112.8L340 V365 I366 C371 E372 L373 P379 F383L340-L369 HydrophobicContact CB-CD2 4.27Å; L340-L369 HydrophobicContact CD1-CD2 3.5Å; L340-L369 VanDerWaalsContact CD1-CD2 3.5Å; L340-L369 HydrophobicContact CG-CD2 4.45Å; V365-L369 WeakPolarHBondContact O-CB 3.47Å; V365-L369 PolarHBondContact O-N 3.07Å; I366-L369 PolarHBondContact O-N 3.16Å; L369-C371 VanDerWaalsContact C-N 3.3Å; L369-C371 PolarHBondContact O-N 3.07Å; L369-E372 PolarHBondContact O-N 3.07Å; L369-L373 HydrophobicContact CG-CD1 4.41Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.24Å; L369-L373 PolarHBondContact O-N 2.97Å; L369-P379 HydrophobicContact CD1-CB 3.59Å; L369-P379 HydrophobicContact CD1-CG 4.37Å; L369-F383 HydrophobicContact CD1-CD1 4.29Å; L369-F383 HydrophobicContact CD2-CB 3.96Å; L369-F383 HydrophobicContact CD2-CG 4.2Å
370L98.7Very high97Very high0 Ų024.3 Ų24.30%015%0.149CC..Hα-helixtrans-67.3-33.2177.8-68.6174.8000111.7T32 V209 T211 L340 V350 I366 K368 L373 S374T32-L370 HydrophobicContact CG2-CB 3.83Å; T32-L370 WeakPolarHBondContact OG1-CD1 3.37Å; V209-L370 HydrophobicContact CG1-CB 4.26Å; V209-L370 HydrophobicContact CG1-CD1 4.29Å; T211-L370 HydrophobicContact CG2-CD1 3.65Å; L340-L370 HydrophobicContact CD2-CD2 4.01Å; L340-L370 HydrophobicContact CD2-CG 4.37Å; V350-L370 HydrophobicContact CG1-CD2 3.67Å; I366-L370 HydrophobicContact CG2-CD1 3.67Å; I366-L370 HydrophobicContact CG2-CG 4.06Å; I366-L370 WeakPolarHBondContact O-CB 3.5Å; I366-L370 VanDerWaalsContact O-CG 3.27Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 3.37Å; K368-L370 PolarHBondContact O-N 2.78Å; L370-L373 HydrophobicContact CD2-CD1 4.47Å; L370-S374 WeakPolarHBondContact O-CB 3.37Å; L370-S374 PolarHBondContact O-N 3.09Å; L370-S374 PolarHBondContact O-OG 3.35Å
371C98.7Very high96.3Very high1 Ų125.3 Ų25.31%0.00715%0.153CC..Hα-helixtrans-62.3-55170.1-1800000110.6Q35 L36 G367 K368 L369 L373 S374 L375Q35-C371 HydrophobicContact CB-CB 3.68Å; L36-C371 HydrophobicContact CG-CB 4.33Å; G367-C371 WeakPolarHBondContact O-CB 3.21Å; G367-C371 PolarHBondContact O-N 3.46Å; K368-C371 WeakPolarHBondContact O-CB 3.22Å; K368-C371 PolarHBondContact O-N 2.96Å; L369-C371 VanDerWaalsContact C-N 3.3Å; L369-C371 PolarHBondContact O-N 3.07Å; C371-L373 VanDerWaalsContact C-N 3.29Å; C371-L373 PolarHBondContact O-N 3.1Å; C371-S374 PolarHBondContact O-N 3.42Å; C371-S374 PolarHBondContact O-OG 2.93Å; C371-L375 WeakPolarHBondContact O-CG 3.35Å; C371-L375 PolarHBondContact O-N 3.45Å
372E98Very high95.8Very high16 Ų1630.1 Ų30.18%0.07518%0.179CC..Hα-helixtrans-51.6-47.5177.9-70.2166.8177.600111.4K368 L369 S374 L375 G376 E377 P379 S380K368-E372 WeakPolarHBondContact CE-OE1 3.28Å; K368-E372 IonicContact NZ-OE1 2.79Å; K368-E372 WeakPolarHBondContact O-CG 3.33Å; K368-E372 PolarHBondContact O-N 2.95Å; L369-E372 PolarHBondContact O-N 3.07Å; E372-S374 PolarHBondContact O-N 3.48Å; E372-L375 PolarHBondContact O-N 3.39Å; E372-G376 PolarHBondContact O-N 2.95Å; E372-G376 VanDerWaalsContact O-N 3.15Å; E372-E377 HydrophobicContact CB-CB 4.26Å; E372-E377 PolarHBondContact O-N 3.43Å; E372-P379 WeakPolarHBondContact OE2-CA 3.29Å; E372-S380 VanDerWaalsContact CD-OG 3.28Å; E372-S380 VanDerWaalsContact OE1-CB 3.24Å; E372-S380 WeakPolarHBondContact OE1-CB 3.31Å; E372-S380 PolarHBondContact OE1-OG 2.8Å; E372-S380 PolarHBondContact OE2-N 3.17Å; E372-S380 PolarHBondContact OE2-OG 3.26Å
373L97.6Very high95.3Very high2 Ų231 Ų311%0.0118%0.183CC..Hα-helixtrans-60.2-47.8175.9-69173000112.2Y342 V350 L369 L370 C371 L375 G376 P379 F383Y342-L373 HydrophobicContact CE1-CB 4.28Å; Y342-L373 VanDerWaalsContact CE1-O 3.24Å; Y342-L373 WeakPolarHBondContact CE1-O 3.5Å; Y342-L373 HydrophobicContact CE2-CD2 3.67Å; Y342-L373 PolarHBondContact OH-O 3.5Å; V350-L373 HydrophobicContact CG1-CB 3.93Å; V350-L373 HydrophobicContact CG1-CD1 4.07Å; V350-L373 HydrophobicContact CG2-CB 4.11Å; L369-L373 HydrophobicContact CG-CD1 4.41Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.24Å; L369-L373 PolarHBondContact O-N 2.97Å; L370-L373 HydrophobicContact CD2-CD1 4.47Å; C371-L373 VanDerWaalsContact C-N 3.29Å; C371-L373 PolarHBondContact O-N 3.1Å; L373-L375 PolarHBondContact O-N 3.45Å; L373-G376 PolarHBondContact O-N 2.72Å; L373-P379 HydrophobicContact CD2-CG 3.78Å; L373-F383 HydrophobicContact CD1-CE2 4.24Å; L373-F383 HydrophobicContact CD1-CZ 4.49Å; L373-F383 HydrophobicContact CD2-CE1 4.39Å; L373-F383 HydrophobicContact CD2-CE2 4.19Å; L373-F383 HydrophobicContact CD2-CZ 3.67Å
374S98.1Very high94.8Very high4 Ų433.5 Ų33.53%0.02820%0.201CC..Hα-helixtrans-65.5-20.3-179.771.60000113.7L36 N207 L370 C371 E372L36-S374 WeakPolarHBondContact CD2-OG 3.43Å; N207-S374 VanDerWaalsContact CG-O 3.26Å; N207-S374 PolarHBondContact ND2-O 2.86Å; N207-S374 VanDerWaalsContact ND2-O 3.11Å; N207-S374 PolarHBondContact OD1-O 3.4Å; L370-S374 WeakPolarHBondContact O-CB 3.37Å; L370-S374 PolarHBondContact O-N 3.09Å; L370-S374 PolarHBondContact O-OG 3.35Å; C371-S374 PolarHBondContact O-N 3.42Å; C371-S374 PolarHBondContact O-OG 2.93Å; E372-S374 PolarHBondContact O-N 3.48Å
375L97.4Very high94.5Very high45 Ų4536.2 Ų36.224%0.23622%0.22CC..THydrogen-bonded Turntrans-92.6-4.6175.5-62.2-174.9000113.2L36 H39 K41 C371 E372 L373 E377L36-L375 HydrophobicContact CD2-CD2 4.15Å; L36-L375 HydrophobicContact CD2-CG 4.41Å; H39-L375 HydrophobicContact CB-CD1 4.05Å; K41-L375 HydrophobicContact CD-CD2 4.04Å; K41-L375 HydrophobicContact CG-CD2 4.02Å; C371-L375 WeakPolarHBondContact O-CG 3.35Å; C371-L375 PolarHBondContact O-N 3.45Å; E372-L375 PolarHBondContact O-N 3.39Å; L373-L375 PolarHBondContact O-N 3.45Å; L375-E377 HydrophobicContact CB-CG 3.84Å; L375-E377 PolarHBondContact O-N 2.81Å
376G95.4Very high94.4Very high61 Ų6136.3 Ų36.363%0.62922%0.22SC*.THydrogen-bonded Turntrans69.621.3-17500000113.3E372 L373E372-G376 PolarHBondContact O-N 2.95Å; E372-G376 VanDerWaalsContact O-N 3.15Å; L373-G376 PolarHBondContact O-N 2.72Å
377E95.6Very high94.3Very high83 Ų8338.3 Ų38.339%0.38823%0.229SC..PPolyproline II helixtrans-80.6162.5179.9-66.2176177.600111.4E372 L375 P379E372-E377 HydrophobicContact CB-CB 4.26Å; E372-E377 PolarHBondContact O-N 3.43Å; L375-E377 HydrophobicContact CB-CG 3.84Å; L375-E377 PolarHBondContact O-N 2.81Å; E377-P379 VanDerWaalsContact O-CD 3.23Å; E377-P379 WeakPolarHBondContact O-CD 3.46Å
378V92.4Very high94.1Very high136 Ų13638.5 Ų38.582%0.82423%0.23SC*.PPolyproline II helixtrans-72.4121.2173.3178.90000108.6
379P91.8Very high93.9Very high38 Ų3844.3 Ų44.325%0.24725%0.251CS..PPolyproline II helixtrans-62138-177.7-34.847000113.6L369 E372 L373 E377 F381 F383L369-P379 HydrophobicContact CD1-CB 3.59Å; L369-P379 HydrophobicContact CD1-CG 4.37Å; E372-P379 WeakPolarHBondContact OE2-CA 3.29Å; L373-P379 HydrophobicContact CD2-CG 3.78Å; E377-P379 VanDerWaalsContact O-CD 3.23Å; E377-P379 WeakPolarHBondContact O-CD 3.46Å; P379-F381 PolarHBondContact O-N 3.15Å; P379-F383 HydrophobicContact CB-CD1 3.84Å; P379-F383 HydrophobicContact CB-CE1 3.57Å; P379-F383 HydrophobicContact CG-CD1 4.22Å; P379-F383 HydrophobicContact CG-CE1 3.45Å; P379-F383 VanDerWaalsContact CG-CE1 3.45Å; P379-F383 HydrophobicContact CG-CZ 4.03Å
380S87.8Confident93.7Very high52 Ų5247.2 Ų47.236%0.36426%0.262SS..SBendtrans-72.8-13.9-178.150.70000114.6K368 E372K368-S380 PolarHBondContact NZ-OG 3.3Å; E372-S380 VanDerWaalsContact CD-OG 3.28Å; E372-S380 VanDerWaalsContact OE1-CB 3.24Å; E372-S380 WeakPolarHBondContact OE1-CB 3.31Å; E372-S380 PolarHBondContact OE1-OG 2.8Å; E372-S380 PolarHBondContact OE2-N 3.17Å; E372-S380 PolarHBondContact OE2-OG 3.26Å
381F84.9Confident93.4Very high36 Ų3647.5 Ų47.516%0.15826%0.263CS..SBendtrans-125.8147175.4-71.9-85.2000110.9M77 E80 V365 P379 F383M77-F381 HydrophobicContact CG-CD1 4.13Å; M77-F381 HydrophobicContact CG-CE1 4.37Å; E80-F381 HydrophobicContact CB-CE2 4.41Å; E80-F381 HydrophobicContact CB-CZ 3.71Å; E80-F381 HydrophobicContact CG-CZ 4.33Å; E80-F381 WeakPolarHBondContact OE2-CE2 3.35Å; E80-F381 WeakPolarHBondContact OE2-CZ 3.32Å; V365-F381 HydrophobicContact CG1-CD2 3.89Å; V365-F381 HydrophobicContact CG1-CE2 3.56Å; V365-F381 HydrophobicContact CG1-CZ 4.16Å; P379-F381 PolarHBondContact O-N 3.15Å; F381-F383 WeakPolarHBondContact O-CD1 3.37Å; F381-F383 PolarHBondContact O-N 2.96Å; F381-F383 VanDerWaalsContact O-N 3.12Å
382D87.2Confident92.3Very high113 Ų11354.1 Ų54.160%0.60429%0.294SS*.  trans-69.4107.9161.7-1784.4000109.2I73 S384I73-D382 VanDerWaalsContact CD1-O 3.3Å; I73-D382 WeakPolarHBondContact CD1-O 3.13Å; D382-S384 WeakPolarHBondContact OD1-CB 3.29Å; D382-S384 PolarHBondContact OD1-N 3.29Å; D382-S384 PolarHBondContact OD1-OG 3.31Å; D382-S384 PolarHBondContact OD2-OG 2.93Å
383F87.8Confident90.6Very high19 Ų1958.2 Ų58.28%0.08332%0.324CS..  trans-109.221.2179.570.3-72.1000111.7L340 L369 L373 P379 F381 S385 F386 K387L340-F383 HydrophobicContact CB-CD2 4.37Å; L340-F383 VanDerWaalsContact O-CD2 3.23Å; L340-F383 WeakPolarHBondContact O-CD2 3.21Å; L340-F383 VanDerWaalsContact O-CE2 3.26Å; L340-F383 WeakPolarHBondContact O-CE2 3.4Å; L369-F383 HydrophobicContact CD1-CD1 4.29Å; L369-F383 HydrophobicContact CD2-CB 3.96Å; L369-F383 HydrophobicContact CD2-CG 4.2Å; L373-F383 HydrophobicContact CD1-CE2 4.24Å; L373-F383 HydrophobicContact CD1-CZ 4.49Å; L373-F383 HydrophobicContact CD2-CE1 4.39Å; L373-F383 HydrophobicContact CD2-CE2 4.19Å; L373-F383 HydrophobicContact CD2-CZ 3.67Å; P379-F383 HydrophobicContact CB-CD1 3.84Å; P379-F383 HydrophobicContact CB-CE1 3.57Å; P379-F383 HydrophobicContact CG-CD1 4.22Å; P379-F383 HydrophobicContact CG-CE1 3.45Å; P379-F383 VanDerWaalsContact CG-CE1 3.45Å; P379-F383 HydrophobicContact CG-CZ 4.03Å; F381-F383 WeakPolarHBondContact O-CD1 3.37Å; F381-F383 PolarHBondContact O-N 2.96Å; F381-F383 VanDerWaalsContact O-N 3.12Å; F383-S385 PolarHBondContact O-N 3.45Å; F383-S385 VanDerWaalsContact O-N 3.15Å; F383-F386 HydrophobicContact CB-CD2 3.9Å; F383-F386 WeakPolarHBondContact O-CA 3.44Å; F383-F386 PolarHBondContact O-N 3.33Å; F383-K387 HydrophobicContact CD2-CD 4.18Å; F383-K387 HydrophobicContact CE2-CD 3.66Å; F383-K387 HydrophobicContact CZ-CD 4.28Å; F383-K387 PolarHBondContact O-N 3.14Å
384S90Very high88.7Confident53 Ų5363.6 Ų63.637%0.37135%0.349SS..G310 helixtrans-51.6-37.5-179.755.70000112.9D382 F386 K387D382-S384 WeakPolarHBondContact OD1-CB 3.29Å; D382-S384 PolarHBondContact OD1-N 3.29Å; D382-S384 PolarHBondContact OD1-OG 3.31Å; D382-S384 PolarHBondContact OD2-OG 2.93Å; S384-F386 PolarHBondContact O-N 3.13Å; S384-K387 WeakPolarHBondContact O-CB 3.42Å; S384-K387 WeakPolarHBondContact O-CG 3.35Å; S384-K387 PolarHBondContact O-N 2.93Å
385S91.4Very high86.6Confident58 Ų5866.4 Ų66.441%0.40636%0.362SS..G310 helixtrans-66.3-16.6175.2-50.10000114.3F383 R390F383-S385 PolarHBondContact O-N 3.45Å; F383-S385 VanDerWaalsContact O-N 3.15Å; S385-R390 VanDerWaalsContact O-CD 3.27Å; S385-R390 WeakPolarHBondContact O-CD 3.43Å; S385-R390 PolarHBondContact O-NE 2.88Å
386F96.4Very high84.1Confident1 Ų173.7 Ų73.70%0.00439%0.392CS..G310 helixtrans-102.3-0.3-179.3-53.6-42.2000113.9I73 Y74 M77 H337 F338 V339 L340 F383 S384 R390I73-F386 HydrophobicContact CG1-CE2 4.16Å; I73-F386 HydrophobicContact CG1-CZ 4.14Å; I73-F386 HydrophobicContact CG2-CZ 4.28Å; Y74-F386 HydrophobicContact CD1-CZ 4.15Å; Y74-F386 AromaticContact CE1-CE1 3.73Å; Y74-F386 HydrophobicContact CE1-CE1 3.73Å; Y74-F386 AromaticContact CE1-CZ 3.5Å; Y74-F386 HydrophobicContact CE1-CZ 3.5Å; Y74-F386 AromaticContact CZ-CE1 3.73Å; Y74-F386 AromaticContact CZ-CZ 3.95Å; Y74-F386 WeakPolarHBondContact OH-CE1 3.35Å; M77-F386 HydrophobicContact CE-CE2 4.24Å; M77-F386 HydrophobicContact SD-CE2 3.6Å; M77-F386 HydrophobicContact SD-CZ 3.98Å; H337-F386 HydrophobicContact CB-CD1 4.21Å; H337-F386 HydrophobicContact CB-CE1 4.29Å; H337-F386 AromaticContact ND1-CE1 3.97Å; F338-F386 HydrophobicContact CB-CD1 3.88Å; F338-F386 HydrophobicContact CB-CE1 4.26Å; F338-F386 HydrophobicContact CB-CG 4.18Å; F338-F386 HydrophobicContact CD2-CE1 4.29Å; F338-F386 HydrophobicContact CD2-CZ 4.24Å; F338-F386 HydrophobicContact CG-CE1 4.42Å; F338-F386 WeakPolarHBondContact O-CA 3.11Å; F338-F386 WeakPolarHBondContact O-CB 3.44Å; V339-F386 WeakPolarHBondContact CA-O 3.37Å; L340-F386 HydrophobicContact CB-CB 4.02Å; L340-F386 HydrophobicContact CD1-CB 4.3Å; L340-F386 HydrophobicContact CD1-CD2 3.76Å; L340-F386 HydrophobicContact CD1-CE2 4.47Å; L340-F386 HydrophobicContact CD1-CG 4.23Å; L340-F386 HydrophobicContact CG-CB 4.15Å; L340-F386 PolarHBondContact N-O 2.76Å; F383-F386 HydrophobicContact CB-CD2 3.9Å; F383-F386 WeakPolarHBondContact O-CA 3.44Å; F383-F386 PolarHBondContact O-N 3.33Å; S384-F386 PolarHBondContact O-N 3.13Å; F386-R390 PolarHBondContact O-NH1 3.19Å
387K95.9Very high81.5Confident43 Ų4375.7 Ų75.719%0.18740%0.396CS..  trans-63.3144.8177.6-69.3-68-166179.70112.2D341 F383 S384 R389 R390D341-K387 HydrophobicContact CB-CD 4.36Å; D341-K387 VanDerWaalsContact OD1-CD 3.23Å; D341-K387 WeakPolarHBondContact OD1-CD 3.41Å; D341-K387 IonicContact OD1-NZ 3.55Å; D341-K387 PolarHBondContact OD1-NZ 2.68Å; D341-K387 WeakPolarHBondContact OD2-CA 3.29Å; D341-K387 WeakPolarHBondContact OD2-CD 3.49Å; F383-K387 HydrophobicContact CD2-CD 4.18Å; F383-K387 HydrophobicContact CE2-CD 3.66Å; F383-K387 HydrophobicContact CZ-CD 4.28Å; F383-K387 PolarHBondContact O-N 3.14Å; S384-K387 WeakPolarHBondContact O-CB 3.42Å; S384-K387 WeakPolarHBondContact O-CG 3.35Å; S384-K387 PolarHBondContact O-N 2.93Å; K387-R389 VanDerWaalsContact C-N 3.26Å; K387-R389 HydrophobicContact CB-CG 4.07Å; K387-R389 PolarHBondContact O-N 3.2Å; K387-R390 WeakPolarHBondContact O-CG 3.49Å; K387-R390 PolarHBondContact O-NH1 2.91Å
388I95.3Very high78.8Confident4 Ų475.4 Ų75.42%0.02141%0.408CS..G310 helixtrans-62.2-35.6-179.6-74.3173.3000111.4F225 L227 V339 D341 Y342 P344 I351 R390 F391 M395F225-I388 HydrophobicContact CE1-CD1 4.24Å; F225-I388 HydrophobicContact CE2-CG2 4.47Å; F225-I388 HydrophobicContact CZ-CD1 4.34Å; F225-I388 HydrophobicContact CZ-CG2 3.72Å; L227-I388 HydrophobicContact CD2-CD1 4.29Å; L227-I388 HydrophobicContact CD2-CG1 4.03Å; L227-I388 HydrophobicContact CD2-CG2 4.1Å; V339-I388 HydrophobicContact CG1-CD1 4.09Å; V339-I388 HydrophobicContact CG1-CG1 3.4Å; D341-I388 HydrophobicContact CB-CB 4.31Å; D341-I388 HydrophobicContact CB-CD1 3.77Å; D341-I388 HydrophobicContact CB-CG1 3.68Å; D341-I388 PolarHBondContact OD2-N 3.45Å; Y342-I388 WeakPolarHBondContact O-CD1 3.41Å; P344-I388 HydrophobicContact CG-CG2 4.42Å; I351-I388 HydrophobicContact CD1-CD1 4Å; I388-R390 PolarHBondContact O-N 3.22Å; I388-F391 PolarHBondContact O-N 2.81Å; I388-M395 HydrophobicContact CG2-CE 3.5Å; I388-M395 HydrophobicContact CG2-SD 4.4Å; I388-M395 VanDerWaalsContact O-CE 3.28Å; I388-M395 WeakPolarHBondContact O-CE 3.36Å
389R93.2Very high76Confident164 Ų16479.8 Ų79.862%0.61943%0.426SS*.G310 helixtrans-56.8-22.1-174.570.3-178.3179.5175.20114.9K387 F391 Q392K387-R389 VanDerWaalsContact C-N 3.26Å; K387-R389 HydrophobicContact CB-CG 4.07Å; K387-R389 PolarHBondContact O-N 3.2Å; R389-F391 PolarHBondContact O-N 3.37Å; R389-F391 VanDerWaalsContact O-N 3.09Å; R389-Q392 HydrophobicContact CB-CG 4.37Å; R389-Q392 WeakPolarHBondContact O-CB 3.19Å; R389-Q392 VanDerWaalsContact O-CG 3.27Å; R389-Q392 WeakPolarHBondContact O-CG 2.92Å; R389-Q392 PolarHBondContact O-N 2.87Å
390R94.6Very high75.2Confident63 Ų6381.9 Ų81.924%0.23844%0.435CS..G310 helixtrans-62.1-16.8176.777.7-169.9-170.9-94.69.2113.2D335 H337 F338 S385 F386 K387 I388D335-R390 IonicContact OD1-NE 2.93Å; D335-R390 IonicContact OD1-NH2 2.77Å; D335-R390 PolarHBondContact OD1-NH2 3.47Å; D335-R390 WeakPolarHBondContact OD2-CD 3.49Å; D335-R390 IonicContact OD2-CZ 3.66Å; D335-R390 IonicContact OD2-NE 2.85Å; D335-R390 PolarHBondContact OD2-NE 3.21Å; D335-R390 IonicContact OD2-NH2 3.67Å; H337-R390 PolarHBondContact O-NH2 3.2Å; F338-R390 VanDerWaalsContact O-CZ 3.26Å; F338-R390 PolarHBondContact O-NH1 3.07Å; F338-R390 VanDerWaalsContact O-NH1 3.08Å; F338-R390 PolarHBondContact O-NH2 3.41Å; S385-R390 VanDerWaalsContact O-CD 3.27Å; S385-R390 WeakPolarHBondContact O-CD 3.43Å; S385-R390 PolarHBondContact O-NE 2.88Å; F386-R390 PolarHBondContact O-NH1 3.19Å; K387-R390 WeakPolarHBondContact O-CG 3.49Å; K387-R390 PolarHBondContact O-NH1 2.91Å; I388-R390 PolarHBondContact O-N 3.22Å
391F91.3Very high74.6Confident6 Ų683.5 Ų83.53%0.02644%0.439CS..G310 helixtrans-10115.3175.7-57.6-51.3000114.1P228 T333 P334 D335 V339 I388 R389 S393 H394 M395P228-F391 HydrophobicContact CG-CB 4.01Å; P228-F391 HydrophobicContact CG-CD1 4.07Å; P228-F391 HydrophobicContact CG-CD2 3.86Å; P228-F391 HydrophobicContact CG-CE2 4.3Å; P228-F391 HydrophobicContact CG-CG 3.72Å; T333-F391 HydrophobicContact CG2-CE2 4.09Å; T333-F391 HydrophobicContact CG2-CZ 4.06Å; P334-F391 HydrophobicContact CB-CE1 4.5Å; P334-F391 HydrophobicContact CG-CE1 4.18Å; D335-F391 HydrophobicContact CB-CE1 4.48Å; D335-F391 WeakPolarHBondContact OD1-CZ 3.33Å; V339-F391 HydrophobicContact CG2-CE2 3.94Å; I388-F391 PolarHBondContact O-N 2.81Å; R389-F391 PolarHBondContact O-N 3.37Å; R389-F391 VanDerWaalsContact O-N 3.09Å; F391-S393 PolarHBondContact O-N 3.23Å; F391-S393 VanDerWaalsContact O-N 3.09Å; F391-H394 CarbonylContact O-C 3.58Å; F391-H394 WeakPolarHBondContact O-CA 3.38Å; F391-H394 PolarHBondContact O-N 2.96Å; F391-M395 HydrophobicContact CB-CE 4.41Å; F391-M395 PolarHBondContact O-N 3.39Å; F391-M395 VanDerWaalsContact O-N 3.14Å
392Q76.8Confident74Confident139 Ų13986.1 Ų86.165%0.6545%0.454SS*.THydrogen-bonded Turntrans-58-25.2-177.7-84.6173.7-12.800113.9R389 H394 M395R389-Q392 HydrophobicContact CB-CG 4.37Å; R389-Q392 WeakPolarHBondContact O-CB 3.19Å; R389-Q392 VanDerWaalsContact O-CG 3.27Å; R389-Q392 WeakPolarHBondContact O-CG 2.92Å; R389-Q392 PolarHBondContact O-N 2.87Å; Q392-H394 VanDerWaalsContact C-N 3.28Å; Q392-H394 PolarHBondContact O-N 3.48Å; Q392-M395 HydrophobicContact CB-CE 4.38Å; Q392-M395 HydrophobicContact CG-CE 3.68Å; Q392-M395 HydrophobicContact CG-SD 4.44Å
393S61.4Low73.2Confident102 Ų10284.5 Ų84.571%0.71345%0.446SS*.THydrogen-bonded Turntrans-71.4-17.1170.554.30000114.4F391F391-S393 PolarHBondContact O-N 3.23Å; F391-S393 VanDerWaalsContact O-N 3.09Å
394H57.2Low72.3Confident115 Ų11588.6 Ų88.653%0.53247%0.468SS..THydrogen-bonded Turntrans-110.5-7.3-176.8-62.3-63.3000113.7P228 F391 Q392 K396P228-H394 HydrophobicContact CB-CB 4.48Å; F391-H394 CarbonylContact O-C 3.58Å; F391-H394 WeakPolarHBondContact O-CA 3.38Å; F391-H394 PolarHBondContact O-N 2.96Å; Q392-H394 VanDerWaalsContact C-N 3.28Å; Q392-H394 PolarHBondContact O-N 3.48Å; H394-K396 PolarHBondContact O-N 2.92Å
395M55.5Low71.1Confident63 Ų6391 Ų9131%0.3148%0.475SS..  trans-76.291174.5-66.7-176.3-138.400109.2F225 I388 F391 Q392 S397F225-M395 HydrophobicContact CE2-SD 3.91Å; I388-M395 HydrophobicContact CG2-CE 3.5Å; I388-M395 HydrophobicContact CG2-SD 4.4Å; I388-M395 VanDerWaalsContact O-CE 3.28Å; I388-M395 WeakPolarHBondContact O-CE 3.36Å; F391-M395 HydrophobicContact CB-CE 4.41Å; F391-M395 PolarHBondContact O-N 3.39Å; F391-M395 VanDerWaalsContact O-N 3.14Å; Q392-M395 HydrophobicContact CB-CE 4.38Å; Q392-M395 HydrophobicContact CG-CE 3.68Å; Q392-M395 HydrophobicContact CG-SD 4.44Å; M395-S397 PolarHBondContact O-N 2.86Å
396K45.2Very low69.7Low198 Ų19893.4 Ų93.486%0.86148%0.48SS*.  trans-67.2120.5163-71.9-173.5178.5-177.70107.3H394 A398H394-K396 PolarHBondContact O-N 2.92Å; K396-A398 PolarHBondContact O-N 2.73Å
397S39.6Very low67.6Low103 Ų103100.5 Ų100.572%0.7252%0.516SS*.  trans-60.4109.7165.8-160.10000106.7M395 L399M395-S397 PolarHBondContact O-N 2.86Å; S397-L399 VanDerWaalsContact C-N 3.25Å; S397-L399 PolarHBondContact O-N 2.96Å
398A40.3Very low65.3Low77 Ų77105.3 Ų105.364%0.63654%0.544SS*.  trans-73.291.8166.900000106K396K396-A398 PolarHBondContact O-N 2.73Å
399L33Very low62.5Low229 Ų229114.5 Ų114.5100%1.19959%0.591SS**  trans-77.60165.1-86.7163.7000109.5S397S397-L399 VanDerWaalsContact C-N 3.25Å; S397-L399 PolarHBondContact O-N 2.96Å

Retrieved 399 of 399 residues in 133.1 ms (Link to these results)

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