A0A077Z423_TRITR Loading...

Cuticle collagen 1

AlphaFold DB , UniProt , Accession A0A077Z423, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 aa.

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

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
1M45.6Very low50Low212 Ų212146.2 Ų146.2100%1.04466%0.659SS**  060-91.9-174.9170.400112
2D54.6Low50.9Low116 Ų116138.8 Ų138.862%0.6263%0.629SS**Hα-helixtrans-81.1-24.7-158.7-56.6-78.8000117.3N6D2-N6 WeakPolarHBondContact O-CB 3.29Å; D2-N6 PolarHBondContact O-N 2.88Å
3R48.6Very low51.2Low231 Ų231131.2 Ų131.287%0.87261%0.606SS**Hα-helixtrans-69.1-37.3-176.6-89.3-171.9-174.3176.53.2113.4A7R3-A7 WeakPolarHBondContact O-CB 3.38Å; R3-A7 PolarHBondContact O-N 3.05Å
4K44.9Very low51.4Low184 Ų184125.6 Ų125.680%0.859%0.589SS**Hα-helixtrans-72-39.1-178.8-75-172.7176.5-177.90111.6A7 Y8K4-A7 PolarHBondContact O-N 3.14Å; K4-Y8 PolarHBondContact O-N 3.14Å; K4-Y8 VanDerWaalsContact O-N 3.12Å
5E48.3Very low51.7Low114 Ų114121.7 Ų121.753%0.53358%0.581SS.*Hα-helixtrans-68.9-41-179.6-141.3179.1163.900111.7Y8 R9E5-Y8 PolarHBondContact O-N 3.09Å; E5-R9 WeakPolarHBondContact O-CG 3.12Å; E5-R9 PolarHBondContact O-N 2.86Å; E5-R9 VanDerWaalsContact O-N 3.07Å
6N48.8Very low52.1Low89 Ų89116.1 Ų116.148%0.47656%0.555SS.*Hα-helixtrans-66.7-37.6175.2-79.1-18.5000113D2 Y8 R9 W10D2-N6 WeakPolarHBondContact O-CB 3.29Å; D2-N6 PolarHBondContact O-N 2.88Å; N6-Y8 VanDerWaalsContact C-N 3.32Å; N6-Y8 PolarHBondContact O-N 3.47Å; N6-R9 PolarHBondContact O-N 3.16Å; N6-W10 PolarHBondContact O-N 2.98Å; N6-W10 VanDerWaalsContact O-N 3.09Å
7A48Very low52.4Low51 Ų51117.1 Ų117.142%0.42156%0.561SS.*Hα-helixtrans-62.4-41.1174.600000111.6R3 K4 W10 I11R3-A7 WeakPolarHBondContact O-CB 3.38Å; R3-A7 PolarHBondContact O-N 3.05Å; K4-A7 PolarHBondContact O-N 3.14Å; A7-W10 PolarHBondContact O-N 3.47Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 3.31Å
8Y52.2Low52.7Low165 Ų165116.4 Ų116.465%0.64756%0.561SS**Hα-helixtrans-65.3-40.2178.2-137.5-96.4000112.1K4 E5 N6 W10 I11 I12K4-Y8 PolarHBondContact O-N 3.14Å; K4-Y8 VanDerWaalsContact O-N 3.12Å; E5-Y8 PolarHBondContact O-N 3.09Å; N6-Y8 VanDerWaalsContact C-N 3.32Å; N6-Y8 PolarHBondContact O-N 3.47Å; Y8-W10 PolarHBondContact O-N 3.39Å; Y8-I11 PolarHBondContact O-N 3.26Å; Y8-I12 HydrophobicContact CD1-CD1 3.6Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.86Å; Y8-I12 WeakPolarHBondContact O-CG1 3.28Å; Y8-I12 PolarHBondContact O-N 2.96Å; Y8-I12 VanDerWaalsContact O-N 3.11Å
9R52.8Low53Low137 Ų137112.2 Ų112.252%0.51754%0.544SS..Hα-helixtrans-60.9-42.8174.5-73.3178.2175.6-165.8-0.6112.4E5 N6 A13E5-R9 WeakPolarHBondContact O-CG 3.12Å; E5-R9 PolarHBondContact O-N 2.86Å; E5-R9 VanDerWaalsContact O-N 3.07Å; N6-R9 PolarHBondContact O-N 3.16Å; R9-A13 WeakPolarHBondContact O-CB 3.25Å; R9-A13 PolarHBondContact O-N 3.33Å
10W50.7Low53.2Low195 Ų195111.3 Ų111.374%0.73954%0.542SS*.Hα-helixtrans-64.2-46.5177.5-94.888.2000112.2N6 A7 Y8 I12 A13 S14N6-W10 PolarHBondContact O-N 2.98Å; N6-W10 VanDerWaalsContact O-N 3.09Å; A7-W10 PolarHBondContact O-N 3.47Å; Y8-W10 PolarHBondContact O-N 3.39Å; W10-I12 VanDerWaalsContact C-N 3.33Å; W10-I12 PolarHBondContact O-N 3.27Å; W10-A13 PolarHBondContact O-N 3.22Å; W10-S14 WeakPolarHBondContact O-CB 3.35Å; W10-S14 PolarHBondContact O-N 3.33Å; W10-S14 PolarHBondContact O-OG 2.84Å
11I55.9Low53.5Low114 Ų114108.6 Ų108.659%0.58553%0.534SS*.Hα-helixtrans-60.6-44180-65.9165.3000111A7 Y8 S14 S15A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 3.31Å; Y8-I11 PolarHBondContact O-N 3.26Å; I11-S14 PolarHBondContact O-N 3.37Å; I11-S15 PolarHBondContact O-N 3.09Å; I11-S15 PolarHBondContact O-OG 3.27Å
12I60.6Low54.2Low58 Ų58103 Ų10330%0.29751%0.508SS..Hα-helixtrans-66.5-46.3179.1-65.1170.8000110.7Y8 W10 S14 S15 L16Y8-I12 HydrophobicContact CD1-CD1 3.6Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.86Å; Y8-I12 WeakPolarHBondContact O-CG1 3.28Å; Y8-I12 PolarHBondContact O-N 2.96Å; Y8-I12 VanDerWaalsContact O-N 3.11Å; W10-I12 VanDerWaalsContact C-N 3.33Å; W10-I12 PolarHBondContact O-N 3.27Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 3.43Å; I12-S15 WeakPolarHBondContact CA-OG 3.2Å; I12-S15 PolarHBondContact O-N 3.17Å; I12-S15 PolarHBondContact O-OG 3.32Å; I12-L16 HydrophobicContact CG2-CD1 4.22Å; I12-L16 PolarHBondContact O-N 3.11Å
13A54.3Low54.5Low39 Ų3998.2 Ų98.232%0.32249%0.486SS..Hα-helixtrans-60.8-41.6177.800000112.2R9 W10 L16 M17R9-A13 WeakPolarHBondContact O-CB 3.25Å; R9-A13 PolarHBondContact O-N 3.33Å; W10-A13 PolarHBondContact O-N 3.22Å; A13-L16 PolarHBondContact O-N 2.89Å; A13-M17 WeakPolarHBondContact O-CG 3.23Å; A13-M17 PolarHBondContact O-N 3.14Å
14S55.1Low55Low54 Ų5490 Ų9038%0.37847%0.467SS..Hα-helixtrans-62.9-43.4175.6-620000111.9W10 I11 I12 L16 M17 L18W10-S14 WeakPolarHBondContact O-CB 3.35Å; W10-S14 PolarHBondContact O-N 3.33Å; W10-S14 PolarHBondContact O-OG 2.84Å; I11-S14 PolarHBondContact O-N 3.37Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 3.43Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.22Å; S14-M17 PolarHBondContact O-N 3.13Å; S14-L18 WeakPolarHBondContact O-CB 3.42Å; S14-L18 PolarHBondContact O-N 3.38Å
15S55.7Low55.5Low66 Ų6686.6 Ų86.646%0.46246%0.457SS..Hα-helixtrans-64.7-37.1177.966.20000112.8I11 I12 L18 S19I11-S15 PolarHBondContact O-N 3.09Å; I11-S15 PolarHBondContact O-OG 3.27Å; I12-S15 WeakPolarHBondContact CA-OG 3.2Å; I12-S15 PolarHBondContact O-N 3.17Å; I12-S15 PolarHBondContact O-OG 3.32Å; S15-L18 PolarHBondContact O-N 2.91Å; S15-S19 PolarHBondContact O-N 3.41Å
16L57.1Low56.1Low32 Ų3284.4 Ų84.417%0.16845%0.449CS..Hα-helixtrans-66.4-45.1173.7-96.6156.8000112.2I12 A13 S14 L18 S19 L20 A76 Y80I12-L16 HydrophobicContact CG2-CD1 4.22Å; I12-L16 PolarHBondContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 2.89Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.22Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.93Å; L16-S19 PolarHBondContact O-N 3.36Å; L16-S19 VanDerWaalsContact O-N 3.14Å; L16-S19 PolarHBondContact O-OG 3.05Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 3.25Å; L16-A76 HydrophobicContact CD1-CB 4.03Å; L16-A76 HydrophobicContact CD2-CB 3.65Å; L16-A76 HydrophobicContact CG-CB 4.27Å; L16-Y80 HydrophobicContact CD1-CE2 3.83Å
17M57.6Low56.7Low134 Ų13483.9 Ų83.966%0.6645%0.452SS*.Hα-helixtrans-61.9-40.1176-78-66.3179.300112.2A13 S14 L20 S21A13-M17 WeakPolarHBondContact O-CG 3.23Å; A13-M17 PolarHBondContact O-N 3.14Å; S14-M17 PolarHBondContact O-N 3.13Å; M17-L20 PolarHBondContact O-N 2.86Å; M17-S21 WeakPolarHBondContact O-CB 3.43Å; M17-S21 PolarHBondContact O-N 2.88Å; M17-S21 PolarHBondContact O-OG 3.47Å
18L57.4Low57.3Low105 Ų10584.5 Ų84.555%0.5546%0.457SS..Hα-helixtrans-61.9-42172.2-92.6148.7000111.9S14 S15 L16 S21 L22S14-L18 WeakPolarHBondContact O-CB 3.42Å; S14-L18 PolarHBondContact O-N 3.38Å; S15-L18 PolarHBondContact O-N 2.91Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.93Å; L18-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-OG 3.09Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CD1 3.37Å; L18-L22 PolarHBondContact O-N 3.43Å
19S58.7Low57.7Low35 Ų3580.3 Ų80.325%0.24545%0.448CS..Hα-helixtrans-67.3-37.3178.274.50000112.9S15 L16 G23S15-S19 PolarHBondContact O-N 3.41Å; L16-S19 PolarHBondContact O-N 3.36Å; L16-S19 VanDerWaalsContact O-N 3.14Å; L16-S19 PolarHBondContact O-OG 3.05Å; S19-G23 PolarHBondContact O-N 2.7Å
20L56.6Low58.1Low95 Ų9576.6 Ų76.650%0.49744%0.438SS..Hα-helixtrans-70.4-40.6177-75.2162.2000111.5L16 M17 G23 A24L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 3.25Å; M17-L20 PolarHBondContact O-N 2.86Å; L20-G23 PolarHBondContact O-N 3.5Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.29Å
21S59.5Low58.4Low54 Ų5471 Ų7138%0.37843%0.427SS..Hα-helixtrans-68.5-40.5177.868.10000112.1M17 L18 A24 L25M17-S21 WeakPolarHBondContact O-CB 3.43Å; M17-S21 PolarHBondContact O-N 2.88Å; M17-S21 PolarHBondContact O-OG 3.47Å; L18-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-OG 3.09Å; S21-A24 PolarHBondContact O-N 2.74Å; S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 WeakPolarHBondContact O-CG 3.45Å; S21-L25 PolarHBondContact O-N 2.7Å
22L61.7Low58.5Low96 Ų9669.7 Ų69.750%0.50342%0.424SS..Hα-helixtrans-61.7-42.4171.5-101.2124000112L18 A24 L25 L26L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CD1 3.37Å; L18-L22 PolarHBondContact O-N 3.43Å; L22-A24 PolarHBondContact O-N 3.23Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 PolarHBondContact O-N 3.3Å
23G59.7Low58.6Low15 Ų1570.2 Ų70.216%0.15543%0.43CS..Hα-helixtrans-60.3-43.8175.200000112.6S19 L20 L26 S27S19-G23 PolarHBondContact O-N 2.7Å; L20-G23 PolarHBondContact O-N 3.5Å; G23-L26 PolarHBondContact O-N 3.41Å; G23-S27 WeakPolarHBondContact O-CB 3.45Å; G23-S27 PolarHBondContact O-N 3.28Å; G23-S27 PolarHBondContact O-OG 3.35Å
24A58.7Low58.7Low57 Ų5772.7 Ų72.747%0.47143%0.432SS..Hα-helixtrans-63.9-46.1176.800000111.8L20 S21 L22 S27 A28L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.29Å; S21-A24 PolarHBondContact O-N 2.74Å; L22-A24 PolarHBondContact O-N 3.23Å; A24-S27 PolarHBondContact O-N 3.17Å; A24-S27 PolarHBondContact O-OG 3.22Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3.19Å
25L56.3Low58.9Low114 Ų11477.4 Ų77.460%0.59745%0.446SS*.Hα-helixtrans-59.4-47.8176.5-80.8161.6000111.7S21 L22 S27 A28 V29S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 WeakPolarHBondContact O-CG 3.45Å; S21-L25 PolarHBondContact O-N 2.7Å; L22-L25 PolarHBondContact O-N 3.24Å; L25-S27 PolarHBondContact O-N 3.12Å; L25-A28 PolarHBondContact O-N 3.07Å; L25-V29 WeakPolarHBondContact O-CB 3.33Å; L25-V29 VanDerWaalsContact O-CG2 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.35Å; L25-V29 PolarHBondContact O-N 3.09Å
26L60.3Low58.8Low68 Ų6880.2 Ų80.236%0.35645%0.451SS..Hα-helixtrans-60.8-44.8176.1-101.5128.5000111.6L22 G23 A28 V29 L30 V65L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 PolarHBondContact O-N 3.3Å; G23-L26 PolarHBondContact O-N 3.41Å; L26-A28 PolarHBondContact O-N 3.1Å; L26-V29 PolarHBondContact O-N 3.44Å; L26-L30 HydrophobicContact CB-CD1 4.35Å; L26-L30 HydrophobicContact CD2-CD1 3.77Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.2Å; L26-L30 PolarHBondContact O-N 3.37Å; L26-V65 HydrophobicContact CD2-CG1 4.29Å
27S61.4Low58.6Low78 Ų7881.9 Ų81.955%0.54546%0.46SS..Hα-helixtrans-63.9-27.4179.275.80000113.5G23 A24 L25 P31G23-S27 WeakPolarHBondContact O-CB 3.45Å; G23-S27 PolarHBondContact O-N 3.28Å; G23-S27 PolarHBondContact O-OG 3.35Å; A24-S27 PolarHBondContact O-N 3.17Å; A24-S27 PolarHBondContact O-OG 3.22Å; L25-S27 PolarHBondContact O-N 3.12Å; S27-P31 WeakPolarHBondContact O-CD 3.48Å; S27-P31 WeakPolarHBondContact O-CG 3.47Å
28A60.3Low58.4Low63 Ų6380 Ų8052%0.52145%0.453SS..Hα-helixtrans-83.3-36177.400000112.7A24 L25 L26 T32A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3.19Å; L25-A28 PolarHBondContact O-N 3.07Å; L26-A28 PolarHBondContact O-N 3.1Å; A28-T32 PolarHBondContact O-OG1 3.24Å
29V60.7Low58Low78 Ų7881.1 Ų81.147%0.47346%0.458SS..Hα-helixtrans-83.1-35.3-175.6175.30000112.1L25 L26 T32 V33L25-V29 WeakPolarHBondContact O-CB 3.33Å; L25-V29 VanDerWaalsContact O-CG2 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.35Å; L25-V29 PolarHBondContact O-N 3.09Å; L26-V29 PolarHBondContact O-N 3.44Å; V29-T32 PolarHBondContact O-N 2.86Å; V29-T32 PolarHBondContact O-OG1 3.05Å; V29-T32 VanDerWaalsContact O-OG1 3.1Å; V29-V33 HydrophobicContact CG1-CG2 3.8Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 2.97Å
30L61.5Low57.5Low59 Ų5986 Ų8631%0.30948%0.475SS..Hα-helixtrans-55.8-47.9-178.5-94.3153.3000113.9L26 T32 V33 Y34 V62L26-L30 HydrophobicContact CB-CD1 4.35Å; L26-L30 HydrophobicContact CD2-CD1 3.77Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.2Å; L26-L30 PolarHBondContact O-N 3.37Å; L30-T32 VanDerWaalsContact C-N 3.29Å; L30-T32 PolarHBondContact O-N 3.1Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-Y34 WeakPolarHBondContact O-CB 3.49Å; L30-Y34 PolarHBondContact O-N 3.14Å; L30-V62 HydrophobicContact CD1-CG2 4.41Å; L30-V62 HydrophobicContact CD2-CG2 3.48Å; L30-V62 VanDerWaalsContact CD2-CG2 3.48Å
31P57.2Low57.2Low77 Ų7784.1 Ų84.150%0.547%0.465SS..Hα-helixtrans-62.3-36178-21.432.1000112.9S27 K35S27-P31 WeakPolarHBondContact O-CD 3.48Å; S27-P31 WeakPolarHBondContact O-CG 3.47Å; P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 PolarHBondContact O-N 3.14Å
32T59.1Low56.7Low86 Ų8685.8 Ų85.853%0.52848%0.482SS..Hα-helixtrans-69.6-47.1-179.5-6.80000111A28 V29 L30 Y34 K35 E36A28-T32 PolarHBondContact O-OG1 3.24Å; V29-T32 PolarHBondContact O-N 2.86Å; V29-T32 PolarHBondContact O-OG1 3.05Å; V29-T32 VanDerWaalsContact O-OG1 3.1Å; L30-T32 VanDerWaalsContact C-N 3.29Å; L30-T32 PolarHBondContact O-N 3.1Å; T32-Y34 VanDerWaalsContact C-N 3.3Å; T32-Y34 PolarHBondContact O-N 3.4Å; T32-K35 WeakPolarHBondContact O-CB 3.4Å; T32-K35 PolarHBondContact O-N 3.32Å; T32-E36 PolarHBondContact O-N 3.42Å
33V61.2Low56Low70 Ų7087.1 Ų87.142%0.42449%0.494SS..Hα-helixtrans-61.6-41.7175.6174.50000110.5V29 L30 K35 E36 L37V29-V33 HydrophobicContact CG1-CG2 3.8Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 2.97Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-K35 PolarHBondContact O-N 3.05Å; V33-E36 PolarHBondContact O-N 3.43Å; V33-L37 HydrophobicContact CG1-CD1 3.89Å; V33-L37 PolarHBondContact O-N 3.07Å
34Y57.6Low55.3Low90 Ų9092.3 Ų92.335%0.35352%0.518SS..Hα-helixtrans-63.1-41.6177.1-161.7-99.1000112.2L30 T32 L37 L38 I58L30-Y34 WeakPolarHBondContact O-CB 3.49Å; L30-Y34 PolarHBondContact O-N 3.14Å; T32-Y34 VanDerWaalsContact C-N 3.3Å; T32-Y34 PolarHBondContact O-N 3.4Å; Y34-L37 PolarHBondContact O-N 3.33Å; Y34-L38 HydrophobicContact CD1-CD1 3.64Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.5Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.5Å; Y34-L38 HydrophobicContact CE1-CG 4.21Å; Y34-L38 PolarHBondContact O-N 3.39Å; Y34-I58 HydrophobicContact CD2-CG2 4.48Å
35K58Low54.9Low153 Ų15393 Ų9367%0.66553%0.531SS*.Hα-helixtrans-61.7-45.9174.5-111.4-177.8176.7-179.60112.1P31 T32 V33 L37 L38 L39P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 PolarHBondContact O-N 3.14Å; T32-K35 WeakPolarHBondContact O-CB 3.4Å; T32-K35 PolarHBondContact O-N 3.32Å; V33-K35 PolarHBondContact O-N 3.05Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 2.99Å; K35-L38 PolarHBondContact O-N 3.42Å; K35-L39 WeakPolarHBondContact O-CB 3.48Å; K35-L39 PolarHBondContact O-N 3.48Å
36E55.1Low54.4Low125 Ų12595.7 Ų95.758%0.58455%0.546SS*.Hα-helixtrans-63-40.2178-85.4-163158.100112.5T32 V33 L39 K40T32-E36 PolarHBondContact O-N 3.42Å; V33-E36 PolarHBondContact O-N 3.43Å; E36-L39 PolarHBondContact O-N 3.31Å; E36-K40 WeakPolarHBondContact O-CB 3.43Å; E36-K40 PolarHBondContact O-N 3.49Å
37L51.9Low53.8Low68 Ų6893.4 Ų93.436%0.35654%0.539SS..Hα-helixtrans-64.1-43.9175.9-101.1136000111.8V33 Y34 K35 L39 N41 I58V33-L37 HydrophobicContact CG1-CD1 3.89Å; V33-L37 PolarHBondContact O-N 3.07Å; Y34-L37 PolarHBondContact O-N 3.33Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 2.99Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-N41 WeakPolarHBondContact O-CB 3.44Å; L37-N41 VanDerWaalsContact O-CG 3.31Å; L37-N41 PolarHBondContact O-N 3.11Å; L37-I58 HydrophobicContact CD1-CD1 4.42Å
38L53.3Low53.2Low95 Ų9599.3 Ų99.350%0.49756%0.555SS.*Hα-helixtrans-60.4-42.1173.3-85.9166.3000111.9Y34 K35 N41 A42Y34-L38 HydrophobicContact CD1-CD1 3.64Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.5Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.5Å; Y34-L38 HydrophobicContact CE1-CG 4.21Å; Y34-L38 PolarHBondContact O-N 3.39Å; K35-L38 PolarHBondContact O-N 3.42Å; L38-N41 PolarHBondContact O-N 2.93Å; L38-A42 PolarHBondContact O-N 3.32Å
39L49.3Very low52.6Low127 Ų127104.4 Ų104.467%0.66557%0.568SS**Hα-helixtrans-68.2-44-179.4-131.2115.9000112K35 E36 L37 N41 A42K35-L39 WeakPolarHBondContact O-CB 3.48Å; K35-L39 PolarHBondContact O-N 3.48Å; E36-L39 PolarHBondContact O-N 3.31Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-N41 PolarHBondContact O-N 3Å; L39-A42 PolarHBondContact O-N 3.14Å
40K49.1Very low51.9Low138 Ų138105.5 Ų105.560%0.658%0.575SS**Hα-helixtrans-61.8-34.9174.2-79.3178174.51720111.5E36 V43 L44E36-K40 WeakPolarHBondContact O-CB 3.43Å; E36-K40 PolarHBondContact O-N 3.49Å; K40-V43 WeakPolarHBondContact O-CB 3.46Å; K40-V43 PolarHBondContact O-N 3.09Å; K40-L44 PolarHBondContact O-N 3.37Å
41N48.7Very low51.1Low55 Ų55104.1 Ų104.129%0.29457%0.57SS.*Hα-helixtrans-74.3-30.4177.4-78.3-13000113.9L37 L38 L39 V43 L44L37-N41 WeakPolarHBondContact O-CB 3.44Å; L37-N41 VanDerWaalsContact O-CG 3.31Å; L37-N41 PolarHBondContact O-N 3.11Å; L38-N41 PolarHBondContact O-N 2.93Å; L39-N41 PolarHBondContact O-N 3Å; N41-V43 PolarHBondContact O-N 3.27Å; N41-V43 VanDerWaalsContact O-N 3.17Å; N41-L44 PolarHBondContact O-N 3.4Å; N41-L44 VanDerWaalsContact O-N 3.16Å
42A48.9Very low50.8Low89 Ų89104 Ų10474%0.73657%0.57SS**Hα-helixtrans-60.1-23.7170.900000112.2L38 L39L38-A42 PolarHBondContact O-N 3.32Å; L39-A42 PolarHBondContact O-N 3.14Å
43V48Very low50.5Low124 Ų124103.5 Ų103.575%0.75257%0.567SS**Hα-helixtrans-86.8-27.7177.8-177.50000112.4K40 N41 G45K40-V43 WeakPolarHBondContact O-CB 3.46Å; K40-V43 PolarHBondContact O-N 3.09Å; N41-V43 PolarHBondContact O-N 3.27Å; N41-V43 VanDerWaalsContact O-N 3.17Å; V43-G45 PolarHBondContact O-N 2.97Å
44L45.4Very low50.1Low125 Ų125103.3 Ų103.365%0.65457%0.566SS**  trans-9974.5-177.4-79.5148.7000110.7K40 N41 N46K40-L44 PolarHBondContact O-N 3.37Å; N41-L44 PolarHBondContact O-N 3.4Å; N41-L44 VanDerWaalsContact O-N 3.16Å; L44-N46 PolarHBondContact O-N 3.43Å
45G49.3Very low50.1Low72 Ų72102 Ų10274%0.74257%0.565SS**THydrogen-bonded Turntrans-61.914-176.100000118.1V43V43-G45 PolarHBondContact O-N 2.97Å
46N47Very low50.3Low169 Ų16998.4 Ų98.490%0.90456%0.556SS**THydrogen-bonded Turntrans-123.517.9-165.5-83.6-3000116.6L44L44-N46 PolarHBondContact O-N 3.43Å
47G47.9Very low50.7Low21 Ų2198.1 Ų98.122%0.21655%0.554CS.*  trans-149.761.2-175.200000115.8E49 T50 C51G47-E49 PolarHBondContact O-N 3.15Å; G47-T50 PolarHBondContact O-OG1 3.37Å; G47-C51 WeakPolarHBondContact O-CB 3.33Å; G47-C51 PolarHBondContact O-N 3.27Å; G47-C51 PolarHBondContact O-SG 2.72Å
48K47.3Very low51Low202 Ų20297.2 Ų97.288%0.87855%0.549SS*.Hα-helixtrans-59.3-32.9172.8-85.5-176.1175.91780112.6
49E48.9Very low51.4Low169 Ų16996.8 Ų96.879%0.7955%0.547SS*.Hα-helixtrans-80.6-40.9-176.5-64.7-175.4174.600113.2G47 C51 S52G47-E49 PolarHBondContact O-N 3.15Å; E49-C51 PolarHBondContact O-N 3.49Å; E49-S52 PolarHBondContact O-N 3.32Å; E49-S52 PolarHBondContact O-OG 2.98Å
50T46.3Very low52.4Low101 Ų10199.3 Ų99.362%0.6255%0.548SS*.Hα-helixtrans-67-26.2175.347.90000112.3G47 T54G47-T50 PolarHBondContact O-OG1 3.37Å; T50-T54 PolarHBondContact O-N 3.41Å; T50-T54 PolarHBondContact O-OG1 3.16Å
51C43Very low52.8Low31 Ų3195.1 Ų95.121%0.20954%0.539CS..Hα-helixtrans-73.3-34.9177.9-75.10000114.3G47 E49 V53 T54 I55G47-C51 WeakPolarHBondContact O-CB 3.33Å; G47-C51 PolarHBondContact O-N 3.27Å; G47-C51 PolarHBondContact O-SG 2.72Å; E49-C51 PolarHBondContact O-N 3.49Å; C51-V53 VanDerWaalsContact C-N 3.25Å; C51-V53 PolarHBondContact O-N 3.49Å; C51-T54 WeakPolarHBondContact CA-OG1 3.39Å; C51-T54 PolarHBondContact O-N 3.47Å; C51-T54 PolarHBondContact O-OG1 2.96Å; C51-T54 VanDerWaalsContact O-OG1 3.12Å; C51-I55 WeakPolarHBondContact O-CG1 3.34Å; C51-I55 PolarHBondContact O-N 2.98Å; C51-I55 VanDerWaalsContact O-N 3.09Å
52S50.7Low53.5Low73 Ų7393.8 Ų93.851%0.5153%0.533SS..Hα-helixtrans-66.5-34-179.382.40000111.2E49 T56E49-S52 PolarHBondContact O-N 3.32Å; E49-S52 PolarHBondContact O-OG 2.98Å; S52-T56 VanDerWaalsContact O-CG2 3.28Å; S52-T56 WeakPolarHBondContact O-CG2 3.45Å; S52-T56 PolarHBondContact O-N 3.07Å; S52-T56 PolarHBondContact O-OG1 3.5Å
53V53.1Low54.5Low76 Ų7693.5 Ų93.546%0.46152%0.519SS..Hα-helixtrans-67.9-49.5174.9-176.50000110.3C51 I55 T56 H57C51-V53 VanDerWaalsContact C-N 3.25Å; C51-V53 PolarHBondContact O-N 3.49Å; V53-I55 PolarHBondContact O-N 3.23Å; V53-T56 PolarHBondContact O-N 3Å; V53-T56 PolarHBondContact O-OG1 3Å; V53-H57 PolarHBondContact O-CD2 3.38Å; V53-H57 PolarHBondContact O-N 3.35Å; V53-H57 VanDerWaalsContact O-N 3.11Å
54T53.9Low55.6Low66 Ų6694 Ų9441%0.40551%0.513SS..Hα-helixtrans-64.1-39.1-177.547.30000113.3T50 C51 H57 I58T50-T54 PolarHBondContact O-N 3.41Å; T50-T54 PolarHBondContact O-OG1 3.16Å; C51-T54 WeakPolarHBondContact CA-OG1 3.39Å; C51-T54 PolarHBondContact O-N 3.47Å; C51-T54 PolarHBondContact O-OG1 2.96Å; C51-T54 VanDerWaalsContact O-OG1 3.12Å; T54-H57 PolarHBondContact O-N 3.04Å; T54-I58 WeakPolarHBondContact O-CG1 3.42Å; T54-I58 PolarHBondContact O-N 3.48Å; T54-I58 VanDerWaalsContact O-N 3.14Å
55I56.7Low56.4Low63 Ų6390.4 Ų90.432%0.32350%0.496SS..Hα-helixtrans-64.1-44.8177.4-66.7169.9000111.1C51 V53 H57 I58 D59C51-I55 WeakPolarHBondContact O-CG1 3.34Å; C51-I55 PolarHBondContact O-N 2.98Å; C51-I55 VanDerWaalsContact O-N 3.09Å; V53-I55 PolarHBondContact O-N 3.23Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 3Å; I55-I58 PolarHBondContact O-N 2.71Å; I55-D59 PolarHBondContact O-N 2.88Å
56T63.2Low57.1Low77 Ų7793 Ų9347%0.47249%0.487SS..Hα-helixtrans-65.7-3318052.60000112.9S52 V53 R60S52-T56 VanDerWaalsContact O-CG2 3.28Å; S52-T56 WeakPolarHBondContact O-CG2 3.45Å; S52-T56 PolarHBondContact O-N 3.07Å; S52-T56 PolarHBondContact O-OG1 3.5Å; V53-T56 PolarHBondContact O-N 3Å; V53-T56 PolarHBondContact O-OG1 3Å; T56-R60 PolarHBondContact O-N 2.97Å
57H62.2Low58.1Low120 Ų12089.7 Ų89.756%0.55647%0.469SS*.Hα-helixtrans-67.3-40.3173.2-85-97.9000112.5V53 T54 I55 R60 A61V53-H57 PolarHBondContact O-CD2 3.38Å; V53-H57 PolarHBondContact O-N 3.35Å; V53-H57 VanDerWaalsContact O-N 3.11Å; T54-H57 PolarHBondContact O-N 3.04Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 3Å; H57-R60 PolarHBondContact O-N 2.97Å; H57-A61 PolarHBondContact O-N 2.92Å; H57-A61 VanDerWaalsContact O-N 3.16Å
58I59Low58.9Low49 Ų4994.3 Ų94.325%0.25149%0.488SS..Hα-helixtrans-65.8-47177.8-67.2166000110.7Y34 L37 T54 I55 R60 A61 V62Y34-I58 HydrophobicContact CD2-CG2 4.48Å; L37-I58 HydrophobicContact CD1-CD1 4.42Å; T54-I58 WeakPolarHBondContact O-CG1 3.42Å; T54-I58 PolarHBondContact O-N 3.48Å; T54-I58 VanDerWaalsContact O-N 3.14Å; I55-I58 PolarHBondContact O-N 2.71Å; I58-R60 VanDerWaalsContact C-N 3.25Å; I58-R60 PolarHBondContact O-N 3.14Å; I58-A61 PolarHBondContact O-N 3.38Å; I58-A61 VanDerWaalsContact O-N 3.13Å; I58-V62 HydrophobicContact CG2-CG2 4.33Å; I58-V62 WeakPolarHBondContact O-CG2 3.39Å; I58-V62 PolarHBondContact O-N 2.98Å
59D62.7Low59.4Low85 Ų8587.9 Ų87.946%0.45546%0.463SS..Hα-helixtrans-60.1-37.1178.4-94.7-14.3000112.2I55 N63I55-D59 PolarHBondContact O-N 2.88Å; D59-N63 WeakPolarHBondContact O-CB 3.41Å; D59-N63 VanDerWaalsContact O-CG 3.26Å; D59-N63 PolarHBondContact O-N 3.08Å; D59-N63 PolarHBondContact O-ND2 2.86Å
60R70Confident60.2Low180 Ų18082.5 Ų82.568%0.67944%0.444SS*.Hα-helixtrans-61.5-47.6174.4-126.6-174.9-158.61160.7111.8T56 H57 I58 N63 E64T56-R60 PolarHBondContact O-N 2.97Å; H57-R60 PolarHBondContact O-N 2.97Å; I58-R60 VanDerWaalsContact C-N 3.25Å; I58-R60 PolarHBondContact O-N 3.14Å; R60-N63 PolarHBondContact O-N 3.45Å; R60-E64 PolarHBondContact O-N 3.48Å
61A57.3Low61.1Low50 Ų5086.7 Ų86.741%0.41345%0.448SS..Hα-helixtrans-64-42.4-179.700000111.9H57 I58 N63 E64 V65H57-A61 PolarHBondContact O-N 2.92Å; H57-A61 VanDerWaalsContact O-N 3.16Å; I58-A61 PolarHBondContact O-N 3.38Å; I58-A61 VanDerWaalsContact O-N 3.13Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 3.31Å; A61-E64 PolarHBondContact O-N 2.94Å; A61-V65 WeakPolarHBondContact O-CG2 3.42Å; A61-V65 PolarHBondContact O-N 3.32Å; A61-V65 VanDerWaalsContact O-N 3.08Å
62V63.9Low61.9Low28 Ų2887.7 Ų87.717%0.1746%0.456CS..Hα-helixtrans-62.1-42176.7173.60000111.3L30 I58 V65 K66L30-V62 HydrophobicContact CD1-CG2 4.41Å; L30-V62 HydrophobicContact CD2-CG2 3.48Å; L30-V62 VanDerWaalsContact CD2-CG2 3.48Å; I58-V62 HydrophobicContact CG2-CG2 4.33Å; I58-V62 WeakPolarHBondContact O-CG2 3.39Å; I58-V62 PolarHBondContact O-N 2.98Å; V62-V65 PolarHBondContact O-N 2.99Å; V62-K66 HydrophobicContact CG1-CD 4.38Å; V62-K66 WeakPolarHBondContact O-CG 3.47Å; V62-K66 PolarHBondContact O-N 3.37Å
63N68.6Low62.1Low82 Ų8287.9 Ų87.944%0.43945%0.451SS..Hα-helixtrans-69.2-34.7179.2-73.6-33.7000112.6D59 R60 A61 N67D59-N63 WeakPolarHBondContact O-CB 3.41Å; D59-N63 VanDerWaalsContact O-CG 3.26Å; D59-N63 PolarHBondContact O-N 3.08Å; D59-N63 PolarHBondContact O-ND2 2.86Å; R60-N63 PolarHBondContact O-N 3.45Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 3.31Å; N63-N67 WeakPolarHBondContact O-CB 3.49Å; N63-N67 PolarHBondContact O-N 2.89Å; N63-N67 PolarHBondContact O-ND2 3.37Å
64E72.2Confident62.5Low134 Ų13493.2 Ų93.263%0.62646%0.463SS*.Hα-helixtrans-61.1-47.1170.5-93.4-172.8150.200112.1R60 A61 K66 N67 I68R60-E64 PolarHBondContact O-N 3.48Å; A61-E64 PolarHBondContact O-N 2.94Å; E64-K66 PolarHBondContact O-N 3.34Å; E64-N67 WeakPolarHBondContact O-CB 3.37Å; E64-N67 PolarHBondContact O-N 3.47Å; E64-N67 VanDerWaalsContact O-N 3.12Å; E64-I68 WeakPolarHBondContact O-CG1 3.14Å; E64-I68 PolarHBondContact O-N 3.08Å
65V61.1Low62.7Low50 Ų5094.1 Ų94.130%0.30347%0.469SS..Hα-helixtrans-63.1-42.6179.7174.60000111.5L26 A61 V62 N67 I68 L69L26-V65 HydrophobicContact CD2-CG1 4.29Å; A61-V65 WeakPolarHBondContact O-CG2 3.42Å; A61-V65 PolarHBondContact O-N 3.32Å; A61-V65 VanDerWaalsContact O-N 3.08Å; V62-V65 PolarHBondContact O-N 2.99Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 3.23Å; V65-I68 PolarHBondContact O-N 3.12Å; V65-L69 HydrophobicContact CG1-CD1 3.92Å; V65-L69 PolarHBondContact O-N 2.96Å
66K63.5Low62.2Low128 Ų12891.7 Ų91.756%0.55746%0.458SS*.Hα-helixtrans-59.3-39173.9-76.6178.4-179.9173.60112.1V62 E64 S70V62-K66 HydrophobicContact CG1-CD 4.38Å; V62-K66 WeakPolarHBondContact O-CG 3.47Å; V62-K66 PolarHBondContact O-N 3.37Å; E64-K66 PolarHBondContact O-N 3.34Å; K66-S70 WeakPolarHBondContact O-CB 3.44Å; K66-S70 PolarHBondContact O-N 3.41Å; K66-S70 PolarHBondContact O-OG 3.01Å
67N69Low61.7Low98 Ų9896.9 Ų96.952%0.52447%0.469SS..Hα-helixtrans-68.5-38177.2-78.3-23.7000112.6N63 E64 V65 S70 R71N63-N67 WeakPolarHBondContact O-CB 3.49Å; N63-N67 PolarHBondContact O-N 2.89Å; N63-N67 PolarHBondContact O-ND2 3.37Å; E64-N67 WeakPolarHBondContact O-CB 3.37Å; E64-N67 PolarHBondContact O-N 3.47Å; E64-N67 VanDerWaalsContact O-N 3.12Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 3.23Å; N67-S70 PolarHBondContact O-OG 2.98Å; N67-S70 VanDerWaalsContact O-OG 3.04Å; N67-R71 WeakPolarHBondContact O-CG 3.27Å; N67-R71 PolarHBondContact O-N 3.48Å
68I63.9Low61.4Low119 Ų11997.5 Ų97.561%0.6147%0.472SS*.Hα-helixtrans-65.4-46.5175.6-65.8165.7000110.7E64 V65 S70 R71 S72E64-I68 WeakPolarHBondContact O-CG1 3.14Å; E64-I68 PolarHBondContact O-N 3.08Å; V65-I68 PolarHBondContact O-N 3.12Å; I68-S70 PolarHBondContact O-N 3.44Å; I68-R71 PolarHBondContact O-N 2.92Å; I68-S72 PolarHBondContact O-N 3.37Å
69L58.3Low61.1Low67 Ų6799.2 Ų99.235%0.35149%0.485SS..Hα-helixtrans-61-43.7177.1-88.7153.4000112.2V65 R71 S72 N73V65-L69 HydrophobicContact CG1-CD1 3.92Å; V65-L69 PolarHBondContact O-N 2.96Å; L69-R71 PolarHBondContact O-N 3Å; L69-S72 PolarHBondContact O-N 3.05Å; L69-N73 WeakPolarHBondContact O-CB 3.42Å; L69-N73 PolarHBondContact O-N 2.94Å
70S66.3Low60.2Low55 Ų55101.3 Ų101.339%0.38549%0.487SS..Hα-helixtrans-67.6-35.4179.470.60000112.8K66 N67 I68 R74K66-S70 WeakPolarHBondContact O-CB 3.44Å; K66-S70 PolarHBondContact O-N 3.41Å; K66-S70 PolarHBondContact O-OG 3.01Å; N67-S70 PolarHBondContact O-OG 2.98Å; N67-S70 VanDerWaalsContact O-OG 3.04Å; I68-S70 PolarHBondContact O-N 3.44Å; S70-R74 PolarHBondContact O-N 3.18Å; S70-R74 VanDerWaalsContact O-N 3.15Å
71R65.1Low59.1Low189 Ų18996.6 Ų96.671%0.71349%0.487SS*.Hα-helixtrans-64.2-49.9171.9-77.5179.2178.5-178.90.8111.3N67 I68 L69 N73 R74 T75N67-R71 WeakPolarHBondContact O-CG 3.27Å; N67-R71 PolarHBondContact O-N 3.48Å; I68-R71 PolarHBondContact O-N 2.92Å; L69-R71 PolarHBondContact O-N 3Å; R71-N73 VanDerWaalsContact C-N 3.29Å; R71-N73 PolarHBondContact O-N 2.99Å; R71-R74 PolarHBondContact O-N 3.23Å; R71-R74 VanDerWaalsContact O-N 3.14Å; R71-T75 PolarHBondContact O-N 2.95Å; R71-T75 PolarHBondContact O-OG1 3.13Å
72S58.7Low58.8Low52 Ų52100.8 Ų100.836%0.36450%0.502SS..Hα-helixtrans-55.8-44.2178.4-174.90000112I68 L69 R74 T75 A76I68-S72 PolarHBondContact O-N 3.37Å; L69-S72 PolarHBondContact O-N 3.05Å; S72-R74 PolarHBondContact O-N 3.02Å; S72-T75 PolarHBondContact O-N 3.44Å; S72-A76 WeakPolarHBondContact O-CB 3.42Å; S72-A76 PolarHBondContact O-N 3.31Å
73N55.3Low57.9Low78 Ų78103 Ų10342%0.41752%0.516SS..Hα-helixtrans-68.5-32.6-179.2-146.10.1000112.7L69 R71 R77L69-N73 WeakPolarHBondContact O-CB 3.42Å; L69-N73 PolarHBondContact O-N 2.94Å; R71-N73 VanDerWaalsContact C-N 3.29Å; R71-N73 PolarHBondContact O-N 2.99Å; N73-R77 WeakPolarHBondContact O-CG 3.43Å; N73-R77 PolarHBondContact O-N 3.5Å; N73-R77 VanDerWaalsContact O-N 3.16Å
74R62.4Low56.7Low187 Ų187104.2 Ų104.271%0.70653%0.528SS*.Hα-helixtrans-67.7-45.8171.3-79-171.9-163.6178.75.3111.8S70 R71 S72 A76 R77 Q78S70-R74 PolarHBondContact O-N 3.18Å; S70-R74 VanDerWaalsContact O-N 3.15Å; R71-R74 PolarHBondContact O-N 3.23Å; R71-R74 VanDerWaalsContact O-N 3.14Å; S72-R74 PolarHBondContact O-N 3.02Å; R74-A76 VanDerWaalsContact C-N 3.28Å; R74-A76 PolarHBondContact O-N 3.35Å; R74-R77 PolarHBondContact O-N 3.37Å; R74-Q78 PolarHBondContact O-N 2.99Å
75T57Low55.1Low86 Ų86102.4 Ų102.453%0.52854%0.536SS..Hα-helixtrans-59.6-43.4179.4-41.50000110.4R71 S72 Q78 T79R71-T75 PolarHBondContact O-N 2.95Å; R71-T75 PolarHBondContact O-OG1 3.13Å; S72-T75 PolarHBondContact O-N 3.44Å; T75-Q78 PolarHBondContact O-N 3.16Å; T75-T79 PolarHBondContact O-N 3.33Å; T75-T79 VanDerWaalsContact O-N 3.1Å; T75-T79 PolarHBondContact O-OG1 3.3Å
76A45.9Very low54Low12 Ų12104.3 Ų104.310%0.09956%0.557CS.*Hα-helixtrans-61.4-44176.400000113.4L16 S72 R74 Q78 T79 Y80L16-A76 HydrophobicContact CD1-CB 4.03Å; L16-A76 HydrophobicContact CD2-CB 3.65Å; L16-A76 HydrophobicContact CG-CB 4.27Å; S72-A76 WeakPolarHBondContact O-CB 3.42Å; S72-A76 PolarHBondContact O-N 3.31Å; R74-A76 VanDerWaalsContact C-N 3.28Å; R74-A76 PolarHBondContact O-N 3.35Å; A76-Q78 VanDerWaalsContact C-N 3.33Å; A76-Q78 PolarHBondContact O-N 2.93Å; A76-T79 WeakPolarHBondContact CA-OG1 3.44Å; A76-T79 PolarHBondContact O-N 3.2Å; A76-T79 PolarHBondContact O-OG1 3.03Å; A76-T79 VanDerWaalsContact O-OG1 3.09Å; A76-Y80 WeakPolarHBondContact O-CD2 3.48Å; A76-Y80 PolarHBondContact O-N 3.4Å; A76-Y80 VanDerWaalsContact O-N 3.14Å
77R53.2Low52.9Low186 Ų186103.4 Ų103.470%0.70256%0.564SS**Hα-helixtrans-64.6-37.2177.2-77.4-178.2178.6176.4-0.9112.4N73 R74 Y80 A81N73-R77 WeakPolarHBondContact O-CG 3.43Å; N73-R77 PolarHBondContact O-N 3.5Å; N73-R77 VanDerWaalsContact O-N 3.16Å; R74-R77 PolarHBondContact O-N 3.37Å; R77-Y80 PolarHBondContact O-N 3.04Å; R77-A81 WeakPolarHBondContact O-CB 3.37Å; R77-A81 PolarHBondContact O-N 2.92Å
78Q55.4Low51.5Low133 Ų133102 Ų10262%0.62157%0.573SS**Hα-helixtrans-67.5-38177.1-74.1179.5-2300112.4R74 T75 A76R74-Q78 PolarHBondContact O-N 2.99Å; T75-Q78 PolarHBondContact O-N 3.16Å; A76-Q78 VanDerWaalsContact C-N 3.33Å; A76-Q78 PolarHBondContact O-N 2.93Å
79T53.2Low50.1Low84 Ų84102.1 Ų102.152%0.51558%0.579SS.*Hα-helixtrans-66.4-37.2174.6160000112.5T75 A76T75-T79 PolarHBondContact O-N 3.33Å; T75-T79 VanDerWaalsContact O-N 3.1Å; T75-T79 PolarHBondContact O-OG1 3.3Å; A76-T79 WeakPolarHBondContact CA-OG1 3.44Å; A76-T79 PolarHBondContact O-N 3.2Å; A76-T79 PolarHBondContact O-OG1 3.03Å; A76-T79 VanDerWaalsContact O-OG1 3.09Å
80Y44Very low49.1Very low130 Ų130107.8 Ų107.851%0.5160%0.601SS.*Hα-helixtrans-73.8-34.1176.5-87.3-81.7000113.7L16 A76 R77 N82 V83L16-Y80 HydrophobicContact CD1-CE2 3.83Å; A76-Y80 WeakPolarHBondContact O-CD2 3.48Å; A76-Y80 PolarHBondContact O-N 3.4Å; A76-Y80 VanDerWaalsContact O-N 3.14Å; R77-Y80 PolarHBondContact O-N 3.04Å; Y80-N82 PolarHBondContact O-N 2.96Å; Y80-V83 PolarHBondContact O-N 3.5Å
81A47.7Very low47.6Very low81 Ų81110.9 Ų110.967%0.66962%0.62SS**Hα-helixtrans-64.6-27.2179.100000113.2R77R77-A81 WeakPolarHBondContact O-CB 3.37Å; R77-A81 PolarHBondContact O-N 2.92Å
82N49.5Very low46.2Very low137 Ų137107.9 Ų107.973%0.73363%0.625SS**THydrogen-bonded Turntrans-92.87.2179.5-71.2-21.8000113.9Y80 P84Y80-N82 PolarHBondContact O-N 2.96Å; N82-P84 WeakPolarHBondContact O-CD 3.39Å
83V45.5Very low44.9Very low76 Ų76108.1 Ų108.146%0.46164%0.636SS.*SBendtrans-80.5108.5170.6-176.90000107.5Y80 A85Y80-V83 PolarHBondContact O-N 3.5Å; V83-A85 PolarHBondContact O-N 2.95Å
84P43.2Very low43.9Very low107 Ų107113 Ų11370%0.69566%0.661SS**PPolyproline II helixtrans-58.2131.5175.923.4-31.9000109N82 A86N82-P84 WeakPolarHBondContact O-CD 3.39Å; P84-A86 PolarHBondContact O-N 3.43Å
85A39.3Very low42.5Very low95 Ų95114 Ų11479%0.78567%0.666SS**PPolyproline II helixtrans-52.8118.116800000107.2V83 P87V83-A85 PolarHBondContact O-N 2.95Å; A85-P87 WeakPolarHBondContact O-CD 3.16Å; A85-P87 VanDerWaalsContact O-N 3.14Å
86A37.8Very low41.2Very low91 Ų91112.4 Ų112.475%0.75267%0.667SS**PPolyproline II helixtrans-54.2122.5-178.100000108.7P84 G88P84-A86 PolarHBondContact O-N 3.43Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 3.46Å
87P40.5Very low40.7Very low108 Ų108117.5 Ų117.570%0.70170%0.699SS**  trans-69.797.3174.725-27.9000107.5A85 T89A85-P87 WeakPolarHBondContact O-CD 3.16Å; A85-P87 VanDerWaalsContact O-N 3.14Å; P87-T89 HydrophobicContact CB-CG2 4.47Å; P87-T89 PolarHBondContact O-N 3.17Å; P87-T89 PolarHBondContact O-OG1 3.11Å
88G39.2Very low39.5Very low69 Ų69116.1 Ų116.171%0.71170%0.701SS**  trans-68.369.7159.800000109A86 F90A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 3.46Å; G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; G88-F90 VanDerWaalsContact O-N 3.09Å
89T35.3Very low38.4Very low121 Ų121116.3 Ų116.374%0.74270%0.704SS**  trans-71.691.1165.536.20000107.9P87P87-T89 HydrophobicContact CB-CG2 4.47Å; P87-T89 PolarHBondContact O-N 3.17Å; P87-T89 PolarHBondContact O-OG1 3.11Å
90F37.6Very low37.1Very low186 Ų186120.9 Ų120.982%0.81672%0.72SS**  trans-73.4127.3153.1-77.2-83.9000107.4G88 P92G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; G88-F90 VanDerWaalsContact O-N 3.09Å; F90-P92 VanDerWaalsContact O-CD 3.29Å; F90-P92 WeakPolarHBondContact O-CD 3.49Å
91P34.9Very low36.7Very low121 Ų121123 Ų12379%0.78673%0.732SS**  trans-67.4121.1-179.125.3-31.3000110.3
92P35.3Very low35.8Very low125 Ų125122.1 Ų122.181%0.81273%0.731SS**  trans-88.6109.3169.731.5-22.8000107.9F90F90-P92 VanDerWaalsContact O-CD 3.29Å; F90-P92 WeakPolarHBondContact O-CD 3.49Å
93G30.9Very low35.2Very low57 Ų57122.5 Ų122.559%0.58873%0.73SS**  trans165.861.2175.900000117.3
94L34.1Very low34.5Very low181 Ų181128.6 Ų128.695%0.94875%0.754SS**  trans-141.769.1149-79.2176.1000108.2G96L94-G96 PolarHBondContact O-N 3.38Å
95Y32.1Very low34.3Very low207 Ų207126.4 Ų126.481%0.81275%0.751SS**  trans-78.494.5164.6-82.8-87.3000108.1
96G31.2Very low34.4Very low54 Ų54127.1 Ų127.156%0.55775%0.746SS**  trans-71.6156.4155.500000110L94 Q98L94-G96 PolarHBondContact O-N 3.38Å; G96-Q98 PolarHBondContact O-N 3.14Å
97P34.4Very low34.5Very low118 Ų118129.6 Ų129.677%0.76675%0.746SS**  trans-61.4133.6-161.527.4-34000111.1I99P97-I99 VanDerWaalsContact C-N 3.31Å; P97-I99 PolarHBondContact O-N 3.2Å
98Q28.1Very low34.9Very low158 Ų158128.4 Ų128.474%0.73874%0.737SS**  trans-64.889.5176.7-66.3-174.20.700109.2G96 Q100G96-Q98 PolarHBondContact O-N 3.14Å; Q98-Q100 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact O-N 3.09Å
99I31.9Very low35.4Very low136 Ų136131.3 Ų131.370%0.69773%0.732SS**  trans-75.9102.1166.1-56.5176.2000105.8P97 F101P97-I99 VanDerWaalsContact C-N 3.31Å; P97-I99 PolarHBondContact O-N 3.2Å; I99-F101 VanDerWaalsContact C-N 3.26Å; I99-F101 HydrophobicContact CG2-CD2 4.09Å; I99-F101 HydrophobicContact CG2-CE2 3.95Å; I99-F101 PolarHBondContact O-N 3.24Å
100Q26.4Very low36.4Very low180 Ų180126.4 Ų126.484%0.84170%0.702SS**  trans-70.975.4-173.9-164.4160.10.600109.9Q98 G102Q98-Q100 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact O-N 3.09Å; Q100-G102 PolarHBondContact O-N 2.98Å
101F35Very low37.3Very low175 Ų175120 Ų12077%0.76868%0.68SS**  trans-73.284.3158.9-81.9-75.7000108.1I99 M103I99-F101 VanDerWaalsContact C-N 3.26Å; I99-F101 HydrophobicContact CG2-CD2 4.09Å; I99-F101 HydrophobicContact CG2-CE2 3.95Å; I99-F101 PolarHBondContact O-N 3.24Å; F101-M103 PolarHBondContact O-N 3.01Å
102G29.2Very low38.7Very low63 Ų63123.5 Ų123.565%0.64968%0.677SS**  trans-64.383.6160.200000109.3Q100Q100-G102 PolarHBondContact O-N 2.98Å
103M37.5Very low40.2Very low145 Ų145121 Ų12171%0.71466%0.662SS**  trans-117.870.5152.5-69.7-166.7-178.500107.3F101 G105F101-M103 PolarHBondContact O-N 3.01Å; M103-G105 PolarHBondContact O-N 2.97Å; M103-G105 VanDerWaalsContact O-N 3.14Å
104Q31.6Very low42Very low203 Ų203118.6 Ų118.695%0.94964%0.637SS**  trans-65.7101.3155.5-73.5177.4-1.500106.5
105G37.6Very low44Very low62 Ų62113.6 Ų113.664%0.63962%0.615SS**  trans128.566.1175.100000112.9M103M103-G105 PolarHBondContact O-N 2.97Å; M103-G105 VanDerWaalsContact O-N 3.14Å
106T41.5Very low46.1Very low110 Ų110107.8 Ų107.868%0.67560%0.603SS**  -150.1146.2102.338.10000105.7V108T106-V108 WeakPolarHBondContact O-CG2 3.28Å; T106-V108 PolarHBondContact O-N 3.46Å
107D40.8Very low48.2Very low142 Ų142105.8 Ų105.876%0.75958%0.582SS**  trans-58.583156.4-175.523.2000104.7Q109D107-Q109 PolarHBondContact O-N 3.31Å
108V49.2Very low50.4Low84 Ų84108.1 Ų108.151%0.50958%0.58SS.*  trans-66.997.2-176.5-168.30000102.9T106 C110T106-V108 WeakPolarHBondContact O-CG2 3.28Å; T106-V108 PolarHBondContact O-N 3.46Å; V108-C110 HydrophobicContact CG1-CB 3.69Å; V108-C110 WeakPolarHBondContact CG1-SG 3.44Å; V108-C110 PolarHBondContact O-N 3.25Å
109Q49.6Very low52.9Low130 Ų130104.5 Ų104.561%0.60757%0.573SS**  trans-63.124178.1-75.2177.5-18.700111.7D107 C111D107-Q109 PolarHBondContact O-N 3.31Å; Q109-C111 PolarHBondContact O-N 2.96Å; Q109-C111 VanDerWaalsContact O-N 3.1Å
110C56Low55.1Low18 Ų1898.3 Ų98.312%0.12254%0.542CS..THydrogen-bonded Turntrans-65.9-20.8-167.1-99.20000113.3V108 G196 L197V108-C110 HydrophobicContact CG1-CB 3.69Å; V108-C110 WeakPolarHBondContact CG1-SG 3.44Å; V108-C110 PolarHBondContact O-N 3.25Å; C110-G196 WeakPolarHBondContact O-CA 3.43Å; C110-G196 PolarHBondContact O-N 3.42Å; C110-G196 WeakPolarHBondContact SG-CA 3.47Å; C110-L197 PolarHBondContact SG-N 3.28Å
111C56Low57.7Low51 Ų5193 Ų9335%0.34552%0.523SS..THydrogen-bonded Turntrans-145.220.7-163-28.90000113.2Q109 P113 I256Q109-C111 PolarHBondContact O-N 2.96Å; Q109-C111 VanDerWaalsContact O-N 3.1Å; C111-P113 VanDerWaalsContact O-CD 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.49Å; C111-P113 VanDerWaalsContact O-N 3.08Å; C111-I256 HydrophobicContact CB-CD1 3.83Å; C111-I256 HydrophobicContact CB-CG1 4.17Å; C111-I256 WeakPolarHBondContact SG-CD1 3.28Å; C111-I256 WeakPolarHBondContact SG-CG1 3.39Å
112R64.4Low59.9Low194 Ų19489.4 Ų89.473%0.73252%0.517SS*.PPolyproline II helixtrans-62.3122.4-178-162.2172-173.2163.62.3107.8G114 G193R112-G114 PolarHBondContact O-N 3.23Å; R112-G193 WeakPolarHBondContact O-CA 3.31Å
113P67.3Low62.2Low74 Ų7486.9 Ų86.948%0.48149%0.492SS..PPolyproline II helixtrans-52.2140.6174.4-25.534.4000109.2C111 L259C111-P113 VanDerWaalsContact O-CD 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.49Å; C111-P113 VanDerWaalsContact O-N 3.08Å; P113-L259 HydrophobicContact CB-CB 4.3Å; P113-L259 HydrophobicContact CG-CD1 4.44Å
114G68.8Low64.4Low6 Ų686.5 Ų86.56%0.06249%0.488CS..PPolyproline II helixtrans-57.6153.117500000110.6R112 I191 L259 G261R112-G114 PolarHBondContact O-N 3.23Å; G114-I191 WeakPolarHBondContact CA-O 3.5Å; G114-L259 PolarHBondContact N-O 3Å; G114-G261 WeakPolarHBondContact O-CA 3.45Å
115P75.5Confident66.9Low75 Ų7582.1 Ų82.149%0.48747%0.471SS..PPolyproline II helixtrans-56145.6179.421.5-32.3000110.7G190 I191P115-G190 WeakPolarHBondContact O-CA 3.14Å; P115-I191 VanDerWaalsContact CD-CG1 3.46Å; P115-I191 HydrophobicContact CG-CD1 3.53Å; P115-I191 HydrophobicContact CG-CG1 3.55Å
116P76.2Confident68.7Low86 Ų8679.7 Ų79.756%0.55845%0.446SS*.PPolyproline II helixtrans-50.7145.6172.5-26.835000111.7I262P116-I262 HydrophobicContact CB-CD1 4.1Å; P116-I262 HydrophobicContact CB-CG1 3.65Å; P116-I262 HydrophobicContact CG-CD1 4.15Å; P116-I262 HydrophobicContact CG-CG1 3.95Å
117G75.2Confident70.7Confident12 Ų1281 Ų8112%0.12445%0.445CS..PPolyproline II helixtrans-66.3156172.500000112F188 I262 G264G117-F188 WeakPolarHBondContact CA-O 3.44Å; G117-I262 PolarHBondContact N-O 3.46Å; G117-G264 WeakPolarHBondContact O-CA 3.38Å
118F80.6Confident72.7Confident166 Ų16681 Ų8173%0.72844%0.44SS*.PPolyproline II helixtrans-68.4138.5177.6-62.8-76.2000110.8G187 F188F118-G187 CarbonylContact O-C 3.6Å; F118-G187 VanDerWaalsContact O-CA 3.27Å; F118-G187 WeakPolarHBondContact O-CA 3.33Å; F118-F188 HydrophobicContact CB-CD2 4.41Å; F118-F188 PolarHBondContact O-N 2.99Å
119S80.4Confident73.9Confident83 Ų8377.5 Ų77.558%0.5842%0.42SS*.PPolyproline II helixtrans-57.9147.1171.752.50000110.9H265S119-H265 WeakPolarHBondContact CA-O 3.42Å
120G77.3Confident75.6Confident5 Ų578.6 Ų78.65%0.05242%0.423CS..PPolyproline II helixtrans-61.9149.7176.100000111.4G187 H265 G267G120-G187 VanDerWaalsContact N-CA 3.28Å; G120-H265 PolarHBondContact N-O 3.33Å; G120-G267 WeakPolarHBondContact O-CA 3.36Å
121P82Confident76.8Confident69 Ų6981.8 Ų81.845%0.44844%0.444SS..PPolyproline II helixtrans-59.4150.5172.126.1-35.4000110.5A184 P185P121-A184 WeakPolarHBondContact O-CB 3.37Å; P121-P185 HydrophobicContact CG-CG 3.49Å; P121-P185 VanDerWaalsContact CG-CG 3.49Å
122P80.5Confident77.6Confident99 Ų9979.9 Ų79.964%0.64343%0.432SS*.PPolyproline II helixtrans-57.6149.4174.7-22.332.7000112.2
123G78.5Confident78.5Confident11 Ų1177.3 Ų77.311%0.11343%0.429CS..PPolyproline II helixtrans-64.8156.1171.600000111.7I182 F268G123-I182 CarbonylContact C-O 3.56Å; G123-I182 VanDerWaalsContact CA-O 3.23Å; G123-I182 WeakPolarHBondContact CA-O 3.27Å; G123-F268 PolarHBondContact N-O 3.18Å
124Q83.7Confident79.2Confident137 Ų13778 Ų7864%0.6443%0.433SS*.PPolyproline II helixtrans-79.2134176.3-63.6-178.36.900109.7G181 I182Q124-G181 CarbonylContact O-C 3.52Å; Q124-G181 VanDerWaalsContact O-CA 3.28Å; Q124-G181 WeakPolarHBondContact O-CA 3.41Å; Q124-I182 HydrophobicContact CB-CB 4.21Å; Q124-I182 HydrophobicContact CB-CD1 4.26Å; Q124-I182 HydrophobicContact CB-CG1 4.42Å; Q124-I182 PolarHBondContact N-O 3Å; Q124-I182 PolarHBondContact O-N 3.47Å
125N83.3Confident79.4Confident110 Ų11078.3 Ų78.359%0.58844%0.436SS*.PPolyproline II helixtrans-63.8148.1174.6-68-15.6000110.6Q271N125-Q271 PolarHBondContact OD1-N 2.95Å
126G76.9Confident79.8Confident11 Ų1181.9 Ų81.911%0.11345%0.446CS..PPolyproline II helixtrans-69.1151.8175.700000112.1L179 Q271G126-L179 VanDerWaalsContact CA-O 3.27Å; G126-L179 WeakPolarHBondContact CA-O 3.2Å; G126-Q271 PolarHBondContact N-O 3.06Å
127E82.5Confident80Confident138 Ų13881.2 Ų81.265%0.64545%0.448SS*.PPolyproline II helixtrans-75.2145176.8-61.7-171.5162.200111.4G178 L179 G273E127-G178 CarbonylContact O-C 3.56Å; E127-G178 VanDerWaalsContact O-CA 3.27Å; E127-G178 WeakPolarHBondContact O-CA 3.27Å; E127-L179 HydrophobicContact CB-CB 4.43Å; E127-L179 HydrophobicContact CB-CD1 4.31Å; E127-L179 PolarHBondContact O-N 3Å; E127-G273 WeakPolarHBondContact O-CA 3.5Å
128H82.7Confident79.7Confident142 Ų14281.3 Ų81.366%0.65745%0.449SS*.PPolyproline II helixtrans-68143.2177.8-62.9-176.4000110.8V274H128-V274 HydrophobicContact CB-CG2 4.2Å
129G75.1Confident79.5Confident10 Ų1079.2 Ų79.210%0.10345%0.445CS..PPolyproline II helixtrans-64.2147.8175.600000111.8D176 V274 G276G129-D176 WeakPolarHBondContact CA-O 3.46Å; G129-V274 PolarHBondContact N-O 2.79Å; G129-G276 WeakPolarHBondContact O-CA 3.28Å
130K84.5Confident79.1Confident154 Ų15478.9 Ų78.967%0.6744%0.443SS*.PPolyproline II helixtrans-68.6143.3178.4-66.1-178.5-177.4175.80110.5G175 D176K130-G175 WeakPolarHBondContact O-CA 3.19Å; K130-D176 PolarHBondContact O-N 3.27Å
131P80.3Confident78.4Confident85 Ų8579.3 Ų79.355%0.55245%0.446SS*.PPolyproline II helixtrans-56148.2171.2-24.534.4000111.8P277P131-P277 HydrophobicContact CB-CG 4.03Å; P131-P277 HydrophobicContact CG-CG 4.13Å
132G73.3Confident77.3Confident10 Ų1079 Ų7910%0.10344%0.441CS..PPolyproline II helixtrans-63.5155.1172.400000112.3P173 P277 G279G132-P173 WeakPolarHBondContact CA-O 3.47Å; G132-P277 PolarHBondContact N-O 3.25Å; G132-G279 WeakPolarHBondContact O-CA 3.19Å
133H84.4Confident76.2Confident141 Ų14178.1 Ų78.165%0.65343%0.433SS*.PPolyproline II helixtrans-69.6153.6174.6-56.889.6000110.8G172 P173 G279H133-G172 WeakPolarHBondContact O-CA 3.27Å; H133-P173 HydrophobicContact CB-CG 4.45Å; H133-P173 VanDerWaalsContact O-CD 3.31Å; H133-P173 WeakPolarHBondContact O-CD 3.44Å; H133-G279 WeakPolarHBondContact O-CA 3.29Å
134P80.5Confident74.9Confident89 Ų8979.1 Ų79.158%0.57844%0.435SS*.PPolyproline II helixtrans-54.4143.7172.6-2433.9000111.9P280P134-P280 WeakPolarHBondContact CA-O 3.46Å; P134-P280 HydrophobicContact CB-CG 3.95Å; P134-P280 HydrophobicContact CG-CG 3.91Å
135G74.7Confident73.1Confident12 Ų1274.1 Ų74.112%0.12441%0.413CS..PPolyproline II helixtrans-67.7163.4174.400000112.7L170 G172 P280 G282G135-L170 WeakPolarHBondContact CA-O 3.46Å; G135-G172 VanDerWaalsContact CA-CA 3.45Å; G135-G172 VanDerWaalsContact N-CA 3.31Å; G135-P280 PolarHBondContact N-O 2.78Å; G135-G282 WeakPolarHBondContact O-CA 3.23Å
136E84Confident71.1Confident149 Ų14973.8 Ų73.870%0.69641%0.411SS*.PPolyproline II helixtrans-59.8139.3177.4-67.4-178.1-173.700110.9G169 L170E136-G169 WeakPolarHBondContact O-CA 3.5Å; E136-L170 HydrophobicContact CB-CD1 4.47Å; E136-L170 PolarHBondContact O-N 3.25Å
137A79.2Confident69.5Low73 Ų7374.7 Ų74.760%0.60341%0.413SS*.PPolyproline II helixtrans-63144.5175.700000110.2K283A137-K283 WeakPolarHBondContact CA-O 3.46Å
138G69.4Low67.4Low13 Ų1372.8 Ų72.813%0.13441%0.411CS..PPolyproline II helixtrans-65.2150.517600000111.6S140 L167 K283 G285G138-S140 PolarHBondContact O-N 3.35Å; G138-L167 WeakPolarHBondContact CA-O 3.36Å; G138-K283 PolarHBondContact N-O 2.88Å; G138-G285 VanDerWaalsContact O-CA 3.3Å; G138-G285 WeakPolarHBondContact O-CA 3.07Å
139L76.7Confident65.5Low122 Ų12268.3 Ų68.364%0.63940%0.395SS*.PPolyproline II helixtrans-66.1132.3175.4-66.5174.1000110G166 L167L139-G166 CarbonylContact O-C 3.49Å; L139-G166 WeakPolarHBondContact O-CA 3.33Å; L139-L167 HydrophobicContact CB-CD1 4.34Å; L139-L167 HydrophobicContact CD1-CD1 4.26Å; L139-L167 PolarHBondContact O-N 3.34Å
140S72.5Confident63.8Low77 Ų7772.7 Ų72.754%0.53841%0.413SS..PPolyproline II helixtrans-57.9146.8172.4-58.90000110.9G138 I286G138-S140 PolarHBondContact O-N 3.35Å; S140-I286 WeakPolarHBondContact CA-O 3.23Å
141G61.4Low61.9Low13 Ų1371.7 Ų71.713%0.13442%0.423CS..PPolyproline II helixtrans-62.1148.4176.600000112.1L164 I286 G288G141-L164 VanDerWaalsContact CA-O 3.22Å; G141-L164 WeakPolarHBondContact CA-O 3.36Å; G141-I286 PolarHBondContact N-O 3.36Å; G141-G288 WeakPolarHBondContact O-CA 3.33Å
142L59.8Low60.2Low63 Ų6376.9 Ų76.933%0.3344%0.436SS..PPolyproline II helixtrans-73.4130.7175.8-64.5169.2000109.8L164 P308L142-L164 HydrophobicContact CB-CD1 4.25Å; L142-L164 HydrophobicContact CD1-CD1 4.15Å; L142-L164 PolarHBondContact O-N 3.36Å; L142-P308 HydrophobicContact CD2-CB 3.98Å
143V56Low58.8Low80 Ų8079.1 Ų79.149%0.48545%0.454SS..PPolyproline II helixtrans-73.8126.9168.5-177.90000108N289V143-N289 HydrophobicContact CG1-CB 3.96Å; V143-N289 HydrophobicContact CG2-CB 3.97Å
144M51.8Low57Low32 Ų3282.6 Ų82.616%0.15847%0.467CS..PPolyproline II helixtrans-78.3141.3166.8-104.4175.6-77.500109.4N146 L161 Q162 G291M144-N146 PolarHBondContact O-N 3.39Å; M144-L161 HydrophobicContact CE-CB 3.51Å; M144-L161 HydrophobicContact CE-CD2 4.24Å; M144-L161 HydrophobicContact CE-CG 4.41Å; M144-L161 HydrophobicContact SD-CB 3.29Å; M144-L161 WeakPolarHBondContact SD-CB 3.39Å; M144-L161 HydrophobicContact SD-CD1 3.76Å; M144-L161 HydrophobicContact SD-CD2 3.94Å; M144-L161 HydrophobicContact SD-CG 3.85Å; M144-Q162 WeakPolarHBondContact CE-O 3.46Å; M144-G291 WeakPolarHBondContact O-CA 3.34Å
145L46.1Very low55.2Low33 Ų3388 Ų8817%0.17348%0.476CS..PPolyproline II helixtrans-50.2136.5-172.5-78.8157.7000112.2L147 V292 L306 F342L145-L147 VanDerWaalsContact C-N 3.31Å; L145-L147 HydrophobicContact CB-CD1 4.31Å; L145-L147 HydrophobicContact CB-CG 4.33Å; L145-L147 PolarHBondContact O-N 3.31Å; L145-L147 VanDerWaalsContact O-N 3.07Å; L145-V292 PolarHBondContact O-N 2.88Å; L145-L306 HydrophobicContact CD1-CD1 4.44Å; L145-L306 HydrophobicContact CD2-CD1 4.13Å; L145-L306 HydrophobicContact CG-CD1 4.2Å; L145-F342 HydrophobicContact CD2-CD1 4.27Å; L145-F342 HydrophobicContact CD2-CE1 3.5Å; L145-F342 VanDerWaalsContact CD2-CE1 3.5Å; L145-F342 HydrophobicContact CD2-CZ 3.66Å
146N41.3Very low53.6Low102 Ų10293.4 Ų93.455%0.54551%0.509SS..BIsolated β-bridgetrans-8276.8176.4-170.6-13.7000108.6M144 T148 V292M144-N146 PolarHBondContact O-N 3.39Å; N146-T148 PolarHBondContact O-N 3.41Å; N146-V292 HydrophobicContact CB-CG2 4.3Å; N146-V292 VanDerWaalsContact OD1-CB 3.23Å; N146-V292 WeakPolarHBondContact OD1-CB 3.46Å; N146-V292 WeakPolarHBondContact OD1-CG2 3.31Å
147L43.2Very low51.6Low31 Ų3189 Ų8916%0.16249%0.494CS..  trans-88.5103.8176.7-76.3162.3000108.3L145 C149 V292 P294 L337L145-L147 VanDerWaalsContact C-N 3.31Å; L145-L147 HydrophobicContact CB-CD1 4.31Å; L145-L147 HydrophobicContact CB-CG 4.33Å; L145-L147 PolarHBondContact O-N 3.31Å; L145-L147 VanDerWaalsContact O-N 3.07Å; L147-C149 PolarHBondContact O-N 3.44Å; L147-C149 VanDerWaalsContact O-N 3.1Å; L147-V292 PolarHBondContact N-O 3.48Å; L147-V292 WeakPolarHBondContact O-CG1 3.09Å; L147-P294 HydrophobicContact CB-CB 4.07Å; L147-P294 HydrophobicContact CD1-CB 3.54Å; L147-P294 HydrophobicContact CG-CB 4.43Å; L147-L337 HydrophobicContact CD2-CD2 3.77Å
148T39.4Very low50Low98 Ų9889.7 Ų89.760%0.60149%0.492SS*.PPolyproline II helixtrans-52.8117.6179.748.90000110.3N146 E150N146-T148 PolarHBondContact O-N 3.41Å; T148-E150 PolarHBondContact O-N 3.09Å
149C40.9Very low49.1Very low48 Ų4894.9 Ų94.932%0.32452%0.523SS..PPolyproline II helixtrans-77.1116177.5-1670000108.7L147 C157 T295L147-C149 PolarHBondContact O-N 3.44Å; L147-C149 VanDerWaalsContact O-N 3.1Å; C149-C157 VanDerWaalsContact SG-SG 3.65Å; C149-T295 WeakPolarHBondContact SG-CG2 3.39Å; C149-T295 PolarHBondContact SG-OG1 3.35Å
150E40.2Very low47.7Very low101 Ų10192.4 Ų92.447%0.47252%0.515SS..PPolyproline II helixtrans-73.2135.9173-72.6-173.8169.700110.6T148 K152 Y296T148-E150 PolarHBondContact O-N 3.09Å; E150-K152 PolarHBondContact O-N 3.12Å; E150-Y296 HydrophobicContact CB-CE2 4.17Å; E150-Y296 HydrophobicContact CG-CE2 4.05Å; E150-Y296 PolarHBondContact OE2-OH 3.23Å
151P44.2Very low46.8Very low134 Ų13492.6 Ų92.687%0.8751%0.51SS*.THydrogen-bonded Turntrans-71.44.8-170.726.2-33.7000115.3
152K46Very low46.7Very low194 Ų19499.1 Ų99.184%0.84354%0.537SS*.THydrogen-bonded Turntrans-86.5-2.9-176.1-72.3-173.9179.1175.30114.7E150 K154E150-K152 PolarHBondContact O-N 3.12Å; K152-K154 PolarHBondContact O-N 2.97Å
153A44.1Very low46.6Very low56 Ų5696.6 Ų96.646%0.46353%0.526SS..  trans-77.2112.4-179.700000112R155A153-R155 PolarHBondContact O-N 3.44Å; A153-R155 VanDerWaalsContact O-N 3.08Å
154K44.8Very low46.9Very low215 Ų21597.5 Ų97.594%0.93553%0.528SS*.  trans-67.61.9178.9-122.8178.7-174.6-178.90115.1K152K152-K154 PolarHBondContact O-N 2.97Å
155R43Very low47.7Very low203 Ų203102.1 Ų102.177%0.76655%0.552SS**SBendtrans-114.9140.7-176.4-63-178-175-137.91.1108.8A153 C157A153-R155 PolarHBondContact O-N 3.44Å; A153-R155 VanDerWaalsContact O-N 3.08Å; R155-C157 PolarHBondContact O-N 3.37Å
156P42.6Very low48.7Very low125 Ų125100.7 Ų100.781%0.81255%0.545SS*.PPolyproline II helixtrans-55.4125.5170.923.4-30.8000108.2
157C42.2Very low50.3Low57 Ų57100.8 Ų100.839%0.38555%0.545SS..PPolyproline II helixtrans-57.8138.5174.6-62.80000108C149 R155 T295C149-C157 VanDerWaalsContact SG-SG 3.65Å; R155-C157 PolarHBondContact O-N 3.37Å; C157-T295 HydrophobicContact CB-CG2 4.48Å; C157-T295 VanDerWaalsContact SG-CG2 3.56Å
158P44.3Very low51.7Low86 Ų86103.9 Ų103.956%0.55857%0.567SS**PPolyproline II helixtrans-54.4151.8165.924.2-31.5000109.1C160 C293P158-C160 PolarHBondContact O-N 3.46Å; P158-C293 PolarHBondContact O-SG 2.99Å; P158-C293 VanDerWaalsContact O-SG 3.35Å
159P50.4Low53.4Low123 Ų12399.7 Ų99.780%0.79954%0.543SS*.PPolyproline II helixtrans-51130.7178.421-31.6000109.6L161P159-L161 PolarHBondContact O-N 3.1Å
160C48.6Very low55.1Low69 Ų69102.6 Ų102.647%0.46656%0.555SS.*PPolyproline II helixtrans-58.7136.1-179.1-62.50000109.1P158 Q162 C293P158-C160 PolarHBondContact O-N 3.46Å; C160-Q162 PolarHBondContact O-N 2.96Å; C160-C293 WeakPolarHBondContact CA-SG 3.22Å; C160-C293 HydrophobicContact CB-CB 4.38Å; C160-C293 WeakPolarHBondContact CB-SG 3.41Å; C160-C293 PolarHBondContact N-SG 3.42Å; C160-C293 VanDerWaalsContact N-SG 3.45Å; C160-C293 WeakPolarHBondContact SG-CB 3.12Å; C160-C293 CovalentContact SG-SG 2.07Å; C160-C293 PolarHBondContact SG-SG 3.07Å
161L52.8Low57Low81 Ų81102.8 Ų102.842%0.42456%0.563SS.*  trans-66.3109.2-179.5-74.2139.8000108.2M144 P159 G291M144-L161 HydrophobicContact CE-CB 3.51Å; M144-L161 HydrophobicContact CE-CD2 4.24Å; M144-L161 HydrophobicContact CE-CG 4.41Å; M144-L161 HydrophobicContact SD-CB 3.29Å; M144-L161 WeakPolarHBondContact SD-CB 3.39Å; M144-L161 HydrophobicContact SD-CD1 3.76Å; M144-L161 HydrophobicContact SD-CD2 3.94Å; M144-L161 HydrophobicContact SD-CG 3.85Å; P159-L161 PolarHBondContact O-N 3.1Å; L161-G291 PolarHBondContact O-N 3.32Å
162Q58.1Low58.4Low150 Ų15096.8 Ų96.870%0.70153%0.525SS*.PPolyproline II helixtrans-58.9141.7176.2-145.7169.918.100109.4M144 C160 D290M144-Q162 WeakPolarHBondContact CE-O 3.46Å; C160-Q162 PolarHBondContact O-N 2.96Å; Q162-D290 WeakPolarHBondContact CA-OD1 3.28Å; Q162-D290 WeakPolarHBondContact CG-OD1 3.46Å
163G59.4Low59.9Low10 Ų1091.1 Ų91.110%0.10351%0.509CS..PPolyproline II helixtrans-56145.9177.400000111.1I165 G288 D290G163-I165 PolarHBondContact O-N 2.85Å; G163-G288 WeakPolarHBondContact CA-O 3.45Å; G163-D290 PolarHBondContact N-OD1 3.19Å; G163-D290 VanDerWaalsContact N-OD1 3.16Å
164L62.2Low61.5Low99 Ų9996.2 Ų96.252%0.51852%0.516SS..PPolyproline II helixtrans-62.8140.3178.4-77.6166.1000109.5G141 L142 G166 G288G141-L164 VanDerWaalsContact CA-O 3.22Å; G141-L164 WeakPolarHBondContact CA-O 3.36Å; L142-L164 HydrophobicContact CB-CD1 4.25Å; L142-L164 HydrophobicContact CD1-CD1 4.15Å; L142-L164 PolarHBondContact O-N 3.36Å; L164-G166 PolarHBondContact O-N 2.98Å; L164-G288 PolarHBondContact O-N 2.96Å
165I68.7Low63Low130 Ų13086 Ų8667%0.66747%0.472SS*.PPolyproline II helixtrans-64135.3175.5-59.4171.4000108.4G163G163-I165 PolarHBondContact O-N 2.85Å
166G66.3Low64.7Low2 Ų280.9 Ų80.92%0.02146%0.459CS..PPolyproline II helixtrans-62143.9175.100000111.7L139 L164 Q284L139-G166 CarbonylContact O-C 3.49Å; L139-G166 WeakPolarHBondContact O-CA 3.33Å; L164-G166 PolarHBondContact O-N 2.98Å; G166-Q284 PolarHBondContact O-NE2 2.89Å
167L75.1Confident66.4Low104 Ų10480.1 Ų80.155%0.54545%0.448SS..PPolyproline II helixtrans-64.8147.6-179.4-68.3177.5000110.3G138 L139 G285G138-L167 WeakPolarHBondContact CA-O 3.36Å; L139-L167 HydrophobicContact CB-CD1 4.34Å; L139-L167 HydrophobicContact CD1-CD1 4.26Å; L139-L167 PolarHBondContact O-N 3.34Å; L167-G285 PolarHBondContact O-N 2.83Å
168P72.6Confident68.1Low97 Ų9778.2 Ų78.263%0.6344%0.439SS*.PPolyproline II helixtrans-57.7147.7169.4-22.433.3000111.4
169G74.2Confident69.7Low10 Ų1078.9 Ų78.910%0.10344%0.437CS..PPolyproline II helixtrans-68154.7170.600000111.8E136 V281E136-G169 WeakPolarHBondContact O-CA 3.5Å; G169-V281 VanDerWaalsContact O-CG1 3.28Å; G169-V281 WeakPolarHBondContact O-CG1 3.44Å
170L78.5Confident71Confident109 Ų10978 Ų7857%0.57143%0.431SS*.PPolyproline II helixtrans-75.4153.5177.3-63.3-179.8000110.4G135 E136 G282G135-L170 WeakPolarHBondContact CA-O 3.46Å; E136-L170 HydrophobicContact CB-CD1 4.47Å; E136-L170 PolarHBondContact O-N 3.25Å; L170-G282 PolarHBondContact O-N 3.34Å
171T79.4Confident72.4Confident104 Ų10475.6 Ų75.664%0.63842%0.418SS*.PPolyproline II helixtrans-67.4137.5170.6-49.40000109.7V281T171-V281 HydrophobicContact CG2-CG2 4.4Å
172G74.3Confident73.7Confident8 Ų876.4 Ų76.48%0.08242%0.422CS..PPolyproline II helixtrans-63155.317700000112.8H133 G135 P280H133-G172 WeakPolarHBondContact O-CA 3.27Å; G135-G172 VanDerWaalsContact CA-CA 3.45Å; G135-G172 VanDerWaalsContact N-CA 3.31Å; G172-P280 PolarHBondContact N-O 3.34Å
173P77.1Confident74.7Confident76 Ų7674 Ų7449%0.49442%0.419SS..PPolyproline II helixtrans-54.8154.7172.324.2-35.7000111.6G132 H133 G279G132-P173 WeakPolarHBondContact CA-O 3.47Å; H133-P173 HydrophobicContact CB-CG 4.45Å; H133-P173 VanDerWaalsContact O-CD 3.31Å; H133-P173 WeakPolarHBondContact O-CD 3.44Å; P173-G279 PolarHBondContact O-N 3.16Å
174R77.9Confident75.7Confident163 Ų16374.3 Ų74.362%0.61542%0.421SS*.PPolyproline II helixtrans-64.3143.4173.1-166.2173.7173.7-162.7-3.7109.4R275R174-R275 VanDerWaalsContact CD-NH2 3.29Å; R174-R275 VanDerWaalsContact CZ-CZ 3.42Å; R174-R275 VanDerWaalsContact CZ-NH1 3.31Å
175G75.8Confident76.4Confident1 Ų172.9 Ų72.91%0.0142%0.418CS..PPolyproline II helixtrans-62.8166.5175.500000113.6K130 R275 P277K130-G175 WeakPolarHBondContact O-CA 3.19Å; G175-R275 VanDerWaalsContact O-CZ 3.3Å; G175-R275 PolarHBondContact O-NE 3.35Å; G175-R275 PolarHBondContact O-NH2 3Å; G175-P277 PolarHBondContact N-O 3.4Å
176D77.7Confident77Confident94 Ų9470.7 Ų70.750%0.50341%0.407SS..PPolyproline II helixtrans-68.4153.4-179.9-62.8-29.6000110.7G129 K130 R275 G276G129-D176 WeakPolarHBondContact CA-O 3.46Å; K130-D176 PolarHBondContact O-N 3.27Å; D176-R275 VanDerWaalsContact O-CG 3.23Å; D176-R275 WeakPolarHBondContact O-CG 3.07Å; D176-G276 PolarHBondContact O-N 3.37Å
177D79.9Confident77.4Confident109 Ų10970.8 Ų70.858%0.58341%0.409SS*.PPolyproline II helixtrans-68.5146.2170.2-63.4-35.4000109.9R275D177-R275 WeakPolarHBondContact OD1-CD 3.49Å; D177-R275 WeakPolarHBondContact OD1-CG 3.23Å; D177-R275 IonicContact OD1-CZ 2.81Å; D177-R275 IonicContact OD1-NE 2.86Å; D177-R275 PolarHBondContact OD1-NE 3.32Å; D177-R275 IonicContact OD1-NH1 3.8Å; D177-R275 PolarHBondContact OD1-NH1 3.19Å; D177-R275 IonicContact OD2-NH1 3.09Å
178G76.5Confident77.4Confident18 Ų1872.4 Ų72.419%0.18641%0.411CS..PPolyproline II helixtrans-69.2156.9176.600000111.7E127E127-G178 CarbonylContact O-C 3.56Å; E127-G178 VanDerWaalsContact O-CA 3.27Å; E127-G178 WeakPolarHBondContact O-CA 3.27Å
179L79.1Confident77.6Confident100 Ų10071.8 Ų71.852%0.52440%0.403SS..PPolyproline II helixtrans-70146.7174.8-68.6177.9000110G126 E127 G273G126-L179 VanDerWaalsContact CA-O 3.27Å; G126-L179 WeakPolarHBondContact CA-O 3.2Å; E127-L179 HydrophobicContact CB-CB 4.43Å; E127-L179 HydrophobicContact CB-CD1 4.31Å; E127-L179 PolarHBondContact O-N 3Å; L179-G273 PolarHBondContact O-N 3.24Å
180P77.4Confident77.4Confident104 Ų10471.6 Ų71.668%0.67540%0.401SS*.PPolyproline II helixtrans-63.6148.9172.227-33.2000110.7
181G76.8Confident77.1Confident19 Ų1971.7 Ų71.720%0.19640%0.4CS..PPolyproline II helixtrans-66.5152171.200000111.7Q124Q124-G181 CarbonylContact O-C 3.52Å; Q124-G181 VanDerWaalsContact O-CA 3.28Å; Q124-G181 WeakPolarHBondContact O-CA 3.41Å
182I80.7Confident76.5Confident97 Ų9772.2 Ų72.250%0.49740%0.395SS..PPolyproline II helixtrans-79.5129.6175.7-57176.7000108G123 Q124G123-I182 CarbonylContact C-O 3.56Å; G123-I182 VanDerWaalsContact CA-O 3.23Å; G123-I182 WeakPolarHBondContact CA-O 3.27Å; Q124-I182 HydrophobicContact CB-CB 4.21Å; Q124-I182 HydrophobicContact CB-CD1 4.26Å; Q124-I182 HydrophobicContact CB-CG1 4.42Å; Q124-I182 PolarHBondContact N-O 3Å; Q124-I182 PolarHBondContact O-N 3.47Å
183P80.2Confident75.9Confident100 Ų10072.3 Ų72.365%0.64940%0.397SS*.PPolyproline II helixtrans-56.2147.6174.7-25.434.7000112.3
184A79.5Confident75Confident16 Ų1675.3 Ų75.313%0.13241%0.408CS..PPolyproline II helixtrans-70143.3175.300000111P121 G267P121-A184 WeakPolarHBondContact O-CB 3.37Å; A184-G267 VanDerWaalsContact CB-CA 3.46Å; A184-G267 WeakPolarHBondContact CB-O 3.22Å
185P76.8Confident74.1Confident70 Ų7076.1 Ų76.146%0.45541%0.412SS..PPolyproline II helixtrans-69.2159.4168.130.5-35000111.3P121 G267P121-P185 HydrophobicContact CG-CG 3.49Å; P121-P185 VanDerWaalsContact CG-CG 3.49Å; P185-G267 PolarHBondContact O-N 3.38Å
186N80.6Confident73Confident83 Ų8376.7 Ų76.744%0.44442%0.418SS..PPolyproline II helixtrans-65.8152.3177.6-64.3-11.1000111.6E266N186-E266 WeakPolarHBondContact OD1-CG 3.3Å; N186-E266 PolarHBondContact OD1-OE1 3.07Å
187G74.9Confident71.8Confident5 Ų578.7 Ų78.75%0.05243%0.428CS..PPolyproline II helixtrans-64.6158.8170.300000113.1F118 G120 K263 H265F118-G187 CarbonylContact O-C 3.6Å; F118-G187 VanDerWaalsContact O-CA 3.27Å; F118-G187 WeakPolarHBondContact O-CA 3.33Å; G120-G187 VanDerWaalsContact N-CA 3.28Å; G187-K263 WeakPolarHBondContact O-CE 3.49Å; G187-H265 PolarHBondContact N-O 2.83Å
188F75.5Confident70.6Confident137 Ų13780.3 Ų80.360%0.60144%0.437SS*.PPolyproline II helixtrans-74154176.7-65.2-80.6000110.6G117 F118 G264G117-F188 WeakPolarHBondContact CA-O 3.44Å; F118-F188 HydrophobicContact CB-CD2 4.41Å; F118-F188 PolarHBondContact O-N 2.99Å; F188-G264 PolarHBondContact O-N 2.92Å
189D77.2Confident69.2Low85 Ų8581.1 Ų81.146%0.45545%0.445SS..PPolyproline II helixtrans-67.6146172.9-73.50.9000110.4R260 K263D189-R260 IonicContact OD2-NH1 3.97Å; D189-R260 PolarHBondContact OD2-NH1 3.49Å; D189-R260 VanDerWaalsContact OD2-NH1 3.08Å; D189-K263 WeakPolarHBondContact OD1-CD 3.34Å; D189-K263 WeakPolarHBondContact OD1-CG 3.22Å
190G69.4Low67.7Low5 Ų581.2 Ų81.25%0.05245%0.451CS..PPolyproline II helixtrans-68.7150.2171.100000111.5P115 I262P115-G190 WeakPolarHBondContact O-CA 3.14Å; G190-I262 PolarHBondContact N-O 3.5Å
191I71.5Confident66.5Low111 Ų11182 Ų8257%0.56946%0.459SS*.PPolyproline II helixtrans-68.6161175.463.7179000110.5G114 P115 G261G114-I191 WeakPolarHBondContact CA-O 3.5Å; P115-I191 VanDerWaalsContact CD-CG1 3.46Å; P115-I191 HydrophobicContact CG-CD1 3.53Å; P115-I191 HydrophobicContact CG-CG1 3.55Å; I191-G261 PolarHBondContact O-N 3.47Å
192H68.5Low64.9Low115 Ų11583.1 Ų83.153%0.53247%0.471SS..BIsolated β-bridgetrans-68.5144.4173.6-74.5-88.1000110.9R260H192-R260 PolarHBondContact CE1-NE 3.49Å; H192-R260 PolarHBondContact NE2-NE 2.92Å; H192-R260 PolarHBondContact NE2-NH2 3.45Å
193G60.7Low63.3Low11 Ų1185 Ų8511%0.11349%0.487CS..PPolyproline II helixtrans-65.5160.3170.800000111.6R112 L259R112-G193 WeakPolarHBondContact O-CA 3.31Å; G193-L259 PolarHBondContact N-O 3.07Å; G193-L259 VanDerWaalsContact N-O 3.14Å
194L58.9Low61.7Low138 Ų13889.2 Ų89.272%0.72350%0.498SS*.PPolyproline II helixtrans-65.7151.2175.6-62.7174.1000110.5G258L194-G258 WeakPolarHBondContact O-CA 3.42Å; L194-G258 PolarHBondContact O-N 2.95Å
195Y59.6Low60Low181 Ų18190.1 Ų90.171%0.7151%0.509SS*.PPolyproline II helixtrans-69.1151.4171.9-65.4-77.9000110.9
196G52.6Low58.3Low12 Ų1291.9 Ų91.912%0.12452%0.523CS..PPolyproline II helixtrans-62143.4169.400000113.6C110 I256C110-G196 WeakPolarHBondContact O-CA 3.43Å; C110-G196 PolarHBondContact O-N 3.42Å; C110-G196 WeakPolarHBondContact SG-CA 3.47Å; G196-I256 PolarHBondContact N-O 3.02Å
197L51.3Low56.6Low137 Ų13793.9 Ų93.972%0.71754%0.541SS*.PPolyproline II helixtrans-68146.4168.2-65.2171000109.5C110C110-L197 PolarHBondContact SG-N 3.28Å
198D54Low55Low143 Ų14395.7 Ų95.777%0.76556%0.559SS**PPolyproline II helixtrans-62.4144.4173.7-65-33.2000110.8
199G47.4Very low53.3Low35 Ų3598 Ų9836%0.36157%0.574SS.*PPolyproline II helixtrans-66.3154.1177.200000112.5
200P48.6Very low51.9Low101 Ų101101.6 Ų101.666%0.65659%0.594SS**PPolyproline II helixtrans-61.7146.5176.726.8-33.8000111.4
201S51.4Low50.6Low120 Ų120103.5 Ų103.584%0.83961%0.613SS**PPolyproline II helixtrans-57143169.3-56.80000110.6
202G44.4Very low49.1Very low44 Ų44102.8 Ų102.845%0.45462%0.624SS.*PPolyproline II helixtrans-70.3162.3178.400000113.6
203V46.8Very low48.1Very low137 Ų137108.9 Ų108.983%0.8364%0.642SS**PPolyproline II helixtrans-78143.6-173.5-153.40000110.6
204E47.4Very low47.1Very low187 Ų187110.3 Ų110.387%0.87466%0.657SS**PPolyproline II helixtrans-63.5142.7172.6-168.5174.2-173.300111
205G42.4Very low46.2Very low36 Ų36110.8 Ų110.837%0.37166%0.66SS.*PPolyproline II helixtrans-68.5148.6178.700000113
206S40.6Very low45.4Very low107 Ų107107.9 Ų107.975%0.74866%0.663SS**PPolyproline II helixtrans-67.1143.6176.839.20000112.3
207P46.5Very low45Very low125 Ų125109.9 Ų109.981%0.81268%0.684SS**PPolyproline II helixtrans-54.8149.3172.6-24.333.3000112.7
208G41.3Very low44.4Very low43 Ų43110.8 Ų110.844%0.44369%0.688SS.*PPolyproline II helixtrans-62.4151.6173.300000112.4
209M39.9Very low43.9Very low184 Ų184109.2 Ų109.291%0.90669%0.686SS**PPolyproline II helixtrans-71.3143.6173-70.1175.667.600110.7
210D47.3Very low43.9Very low162 Ų162111.3 Ų111.387%0.86670%0.7SS**PPolyproline II helixtrans-59145.2171.9-66.7-28.7000111.2
211G41.2Very low43.6Very low45 Ų45114.2 Ų114.246%0.46471%0.708SS.*PPolyproline II helixtrans-61.9147.3176.400000112.5
212A41.4Very low43.1Very low96 Ų96114.1 Ų114.179%0.79371%0.708SS**PPolyproline II helixtrans-62.8141.3176.300000111G214A212-G214 PolarHBondContact O-N 3.33Å
213R46.9Very low43Very low242 Ų242115.7 Ų115.791%0.91371%0.711SS**PPolyproline II helixtrans-63.2131.5172.7-173.3177.5-174.3162.33109.2
214G40.1Very low43.2Very low41 Ų41115.8 Ų115.842%0.42372%0.715SS.*PPolyproline II helixtrans-57146.7175.900000112.6A212A212-G214 PolarHBondContact O-N 3.33Å
215D38.4Very low43.1Very low149 Ų149114.7 Ų114.780%0.79771%0.714SS**PPolyproline II helixtrans-61.7145.4-179.3-71.3-41.5000111.5G217D215-G217 PolarHBondContact O-N 3.48Å
216P44.6Very low42.9Very low119 Ų119119.2 Ų119.277%0.77373%0.729SS**PPolyproline II helixtrans-57.5137.8170.6-20.431.3000111.2
217G42.8Very low43Very low55 Ų55125.8 Ų125.857%0.56774%0.737SS**PPolyproline II helixtrans-54.9141.7173.200000112D215D215-G217 PolarHBondContact O-N 3.48Å
218I38.2Very low42.7Very low155 Ų155121.6 Ų121.680%0.79572%0.716SS**PPolyproline II helixtrans-62.8128.2-178.2-57.9166.1000108.9A220I218-A220 PolarHBondContact O-N 2.98Å
219P45.1Very low42.6Very low111 Ų111125 Ų12572%0.72173%0.731SS**PPolyproline II helixtrans-58.5129.4172.2-21.231.2000110.3I221P219-I221 PolarHBondContact O-N 3.24Å; P219-I221 VanDerWaalsContact O-N 3.14Å
220A46.8Very low42.7Very low79 Ų79121.7 Ų121.765%0.65373%0.726SS**PPolyproline II helixtrans-55.3122.1175.400000109.8I218 S222I218-A220 PolarHBondContact O-N 2.98Å; A220-S222 PolarHBondContact O-N 3.36Å
221I41.7Very low42.4Very low162 Ų162117.1 Ų117.183%0.83172%0.717SS**  trans-59.7114.9178.1-64.8165.1000107.5P219 S223P219-I221 PolarHBondContact O-N 3.24Å; P219-I221 VanDerWaalsContact O-N 3.14Å; I221-S223 PolarHBondContact O-N 2.99Å; I221-S223 VanDerWaalsContact O-N 3.14Å
222S42Very low42.1Very low118 Ų118122.1 Ų122.183%0.82573%0.733SS**  trans-61.1110.6-177.541.10000110.7A220A220-S222 PolarHBondContact O-N 3.36Å
223S41.6Very low42.1Very low76 Ų76125.3 Ų125.353%0.53174%0.735SS.*  trans-117.7135.3152.869.90000108.2I221 L225I221-S223 PolarHBondContact O-N 2.99Å; I221-S223 VanDerWaalsContact O-N 3.14Å; S223-L225 PolarHBondContact O-N 2.92Å
224P50.6Low41.8Very low140 Ų140116.1 Ų116.191%0.90972%0.715SS**THydrogen-bonded Turntrans-66.44.1-168.9-22.533.6000116.7
225L45.1Very low41.7Very low163 Ų163123 Ų12385%0.85374%0.736SS**THydrogen-bonded Turntrans-116.2-7.5-166.8-80.7152000115.2S223S223-L225 PolarHBondContact O-N 2.92Å
226I39.4Very low41.9Very low132 Ų132123.7 Ų123.768%0.67774%0.738SS**  trans-138.8117.2174-56.2176.5000107.7G228I226-G228 VanDerWaalsContact C-N 3.25Å; I226-G228 PolarHBondContact O-N 2.95Å
227R43.4Very low41.9Very low245 Ų245120 Ų12093%0.92572%0.721SS**  trans-62.696.1164.4-168-179.8-167.1175.63.7105.4
228G40Very low41.7Very low36 Ų36126.3 Ų126.337%0.37174%0.736SS.*  trans-52139.2177.200000108.7I226 S230I226-G228 VanDerWaalsContact C-N 3.25Å; I226-G228 PolarHBondContact O-N 2.95Å; G228-S230 PolarHBondContact O-N 2.81Å
229P38Very low42Very low116 Ų116124.5 Ų124.575%0.75374%0.737SS**  trans-50.4144.417322.6-31.8000108.8G231P229-G231 PolarHBondContact O-N 3.39Å; P229-G231 VanDerWaalsContact O-N 3.09Å
230S43.2Very low41.9Very low114 Ų114120.7 Ų120.780%0.79772%0.718SS**  trans-44.8123.8174.1-650000108.1G228 D232G228-S230 PolarHBondContact O-N 2.81Å; S230-D232 PolarHBondContact O-N 3.33Å; S230-D232 VanDerWaalsContact O-N 3.16Å
231G39.2Very low41.5Very low66 Ų66122.5 Ų122.568%0.6872%0.723SS**PPolyproline II helixtrans-51.4127.4177.500000108.3P229 I233P229-G231 PolarHBondContact O-N 3.39Å; P229-G231 VanDerWaalsContact O-N 3.09Å; G231-I233 PolarHBondContact O-N 3.37Å
232D36Very low41.7Very low150 Ų150120.7 Ų120.780%0.80272%0.722SS**PPolyproline II helixtrans-52.1138.6-178.4-66.9-42.6000108.9S230 G234S230-D232 PolarHBondContact O-N 3.33Å; S230-D232 VanDerWaalsContact O-N 3.16Å; D232-G234 PolarHBondContact O-N 3.27Å
233I41.5Very low41.8Very low163 Ų163117 Ų11784%0.83670%0.703SS**PPolyproline II helixtrans-53.7116.6174.9-62.5170.4000105.7G231 E235G231-I233 PolarHBondContact O-N 3.37Å; I233-E235 PolarHBondContact O-N 3.32Å
234G41.1Very low41.8Very low48 Ų48119.7 Ų119.750%0.49572%0.716SS.*PPolyproline II helixtrans-49.6131.8-179.900000109.4D232 I236D232-G234 PolarHBondContact O-N 3.27Å; G234-I236 PolarHBondContact O-N 2.87Å
235E37.9Very low41.5Very low186 Ų186121 Ų12187%0.86971%0.714SS**PPolyproline II helixtrans-50.6137.2-177.1-69.6-174.9155.500109.6I233 G237I233-E235 PolarHBondContact O-N 3.32Å; E235-G237 PolarHBondContact O-N 3.29Å
236I43.1Very low41.4Very low164 Ų164114.5 Ų114.584%0.84169%0.687SS**  trans-56.6114.3172.9-62.9170.5000105.5G234 E238G234-I236 PolarHBondContact O-N 2.87Å; I236-E238 PolarHBondContact O-N 3.17Å
237G42.6Very low41.5Very low40 Ų40116.9 Ų116.941%0.41270%0.696SS.*PPolyproline II helixtrans-50.5131.7179.400000109.4E235 S239E235-G237 PolarHBondContact O-N 3.29Å; G237-S239 PolarHBondContact O-N 3Å
238E39.5Very low41.6Very low188 Ų188110.9 Ų110.988%0.87969%0.688SS**PPolyproline II helixtrans-52.5135.5-178.8-69.5-168.615600109.5I236 G240I236-E238 PolarHBondContact O-N 3.17Å; E238-G240 PolarHBondContact O-N 2.83Å; E238-G240 VanDerWaalsContact O-N 3.11Å
239S44.7Very low41.8Very low118 Ų118111 Ų11183%0.82569%0.69SS**PPolyproline II helixtrans-48.7124.8171.1-570000108.1G237G237-S239 PolarHBondContact O-N 3Å
240G42.3Very low42Very low31 Ų31113.3 Ų113.332%0.3270%0.695SS.*PPolyproline II helixtrans-50.8144.7175.600000109.9E238E238-G240 PolarHBondContact O-N 2.83Å; E238-G240 VanDerWaalsContact O-N 3.11Å
241P39.6Very low42.2Very low116 Ų116116 Ų11675%0.75370%0.7SS**PPolyproline II helixtrans-54.2145.7178.523.8-33.2000109.4G243P241-G243 PolarHBondContact O-N 3.29Å
242P46.1Very low42.5Very low125 Ų125114.1 Ų114.181%0.81268%0.68SS**PPolyproline II helixtrans-47.7132.3172.4-24.532000109.4T244P242-T244 PolarHBondContact O-N 2.88Å
243G43.3Very low43Very low41 Ų41112.2 Ų112.242%0.42368%0.675SS.*PPolyproline II helixtrans-50.2136.4172.800000109.3P241 L245P241-G243 PolarHBondContact O-N 3.29Å; G243-L245 PolarHBondContact O-N 2.91Å
244T41.6Very low43.5Very low132 Ų132109.9 Ų109.981%0.8167%0.671SS**PPolyproline II helixtrans-55.8129.317749.20000108.7P242 G246P242-T244 PolarHBondContact O-N 2.88Å; T244-G246 PolarHBondContact O-N 3.38Å; T244-G246 VanDerWaalsContact O-N 3.13Å
245L44.5Very low44.1Very low166 Ų166108.7 Ų108.787%0.86966%0.659SS**PPolyproline II helixtrans-51.1123172.7-137.4151.6000107.1G243 E247G243-L245 PolarHBondContact O-N 2.91Å; L245-E247 PolarHBondContact O-N 3.16Å
246G42.6Very low45Very low28 Ų28105 Ų10529%0.28964%0.644SS.*PPolyproline II helixtrans-52.1137.2179.100000110T244T244-G246 PolarHBondContact O-N 3.38Å; T244-G246 VanDerWaalsContact O-N 3.13Å
247E41.5Very low45.8Very low181 Ų181101.1 Ų101.185%0.84663%0.632SS**PPolyproline II helixtrans-55.7136.1176.8-67.7-174.3144.300109.2L245 G249L245-E247 PolarHBondContact O-N 3.16Å; E247-G249 PolarHBondContact O-N 2.99Å; E247-G249 VanDerWaalsContact O-N 3.17Å
248P45.3Very low46.7Very low119 Ų11999.5 Ų99.577%0.77362%0.615SS**PPolyproline II helixtrans-51.1128.3172.3-24.332.4000109L250P248-L250 PolarHBondContact O-N 2.84Å
249G43.8Very low47.9Very low39 Ų3996.1 Ų96.140%0.40260%0.602SS.*PPolyproline II helixtrans-54.4135174.800000110.4E247 L251E247-G249 PolarHBondContact O-N 2.99Å; E247-G249 VanDerWaalsContact O-N 3.17Å; G249-L251 PolarHBondContact O-N 3.06Å
250L42.5Very low49.1Very low164 Ų16497.3 Ų97.386%0.85959%0.589SS**PPolyproline II helixtrans-55.4135-179.4-64.3173.4000109.7P248 G252P248-L250 PolarHBondContact O-N 2.84Å; L250-G252 PolarHBondContact O-N 2.94Å
251L47.9Very low50.4Low172 Ų17296.1 Ų96.190%0.90158%0.576SS**PPolyproline II helixtrans-54.5129.7172.6-140.895.8000107.9G249G249-L251 PolarHBondContact O-N 3.06Å
252G44.6Very low52Low25 Ų2595.9 Ų95.926%0.25857%0.567SS.*PPolyproline II helixtrans-54.4144.5174.200000110.2L250L250-G252 PolarHBondContact O-N 2.94Å
253P46.9Very low53.5Low110 Ų11095.1 Ų95.171%0.71455%0.551SS**PPolyproline II helixtrans-59.1144.8176.526-33.4000109.6G255P253-G255 PolarHBondContact O-N 3.03Å
254P53.1Low55Low114 Ų11493.6 Ų93.674%0.7454%0.536SS*.PPolyproline II helixtrans-52139.4173.7-24.432.2000111I256P254-I256 PolarHBondContact O-N 3.39Å
255G53.5Low56.5Low24 Ų2494.3 Ų94.325%0.24753%0.529CS..PPolyproline II helixtrans-55.6133.3172.200000110.6P253P253-G255 PolarHBondContact O-N 3.03Å
256I55.5Low58.2Low109 Ų10993 Ų9356%0.55952%0.519SS*.PPolyproline II helixtrans-70.7137.217653.9163.8000109.8C111 G196 P254 G258C111-I256 HydrophobicContact CB-CD1 3.83Å; C111-I256 HydrophobicContact CB-CG1 4.17Å; C111-I256 WeakPolarHBondContact SG-CD1 3.28Å; C111-I256 WeakPolarHBondContact SG-CG1 3.39Å; G196-I256 PolarHBondContact N-O 3.02Å; P254-I256 PolarHBondContact O-N 3.39Å; I256-G258 PolarHBondContact O-N 2.87Å
257S61.1Low59.7Low82 Ų8292.4 Ų92.457%0.57351%0.513SS*.PPolyproline II helixtrans-60.8133.4175.5-56.80000110.1L259S257-L259 PolarHBondContact O-N 3.46Å
258G61.3Low61.3Low6 Ų692.3 Ų92.36%0.06251%0.51CS..PPolyproline II helixtrans-58.1138.5174.500000111.9L194 I256L194-G258 WeakPolarHBondContact O-CA 3.42Å; L194-G258 PolarHBondContact O-N 2.95Å; I256-G258 PolarHBondContact O-N 2.87Å
259L65.1Low62.8Low117 Ų11790.4 Ų90.461%0.61350%0.504SS*.PPolyproline II helixtrans-61.4143.8178.5-63.4175.4000110.5P113 G114 G193 S257 G261P113-L259 HydrophobicContact CB-CB 4.3Å; P113-L259 HydrophobicContact CG-CD1 4.44Å; G114-L259 PolarHBondContact N-O 3Å; G193-L259 PolarHBondContact N-O 3.07Å; G193-L259 VanDerWaalsContact N-O 3.14Å; S257-L259 PolarHBondContact O-N 3.46Å; L259-G261 PolarHBondContact O-N 2.89Å
260R69.1Low64.2Low143 Ų14389.2 Ų89.254%0.5449%0.492SS..BIsolated β-bridgetrans-60.7133.9171.2-175.1-176.4-88.1-158.3-1.4108.8D189 H192D189-R260 IonicContact OD2-NH1 3.97Å; D189-R260 PolarHBondContact OD2-NH1 3.49Å; D189-R260 VanDerWaalsContact OD2-NH1 3.08Å; H192-R260 PolarHBondContact CE1-NE 3.49Å; H192-R260 PolarHBondContact NE2-NE 2.92Å; H192-R260 PolarHBondContact NE2-NH2 3.45Å
261G69Low65.8Low5 Ų588.4 Ų88.45%0.05248%0.484CS..PPolyproline II helixtrans-58.8150.6173.400000111.9G114 I191 L259G114-G261 WeakPolarHBondContact O-CA 3.45Å; I191-G261 PolarHBondContact O-N 3.47Å; L259-G261 PolarHBondContact O-N 2.89Å
262I73.6Confident67.1Low111 Ų11183.9 Ų83.957%0.56947%0.471SS*.PPolyproline II helixtrans-61.8145.1177.961.5174.9000110.5P116 G117 G190P116-I262 HydrophobicContact CB-CD1 4.1Å; P116-I262 HydrophobicContact CB-CG1 3.65Å; P116-I262 HydrophobicContact CG-CD1 4.15Å; P116-I262 HydrophobicContact CG-CG1 3.95Å; G117-I262 PolarHBondContact N-O 3.46Å; G190-I262 PolarHBondContact N-O 3.5Å
263K77Confident68.4Low109 Ų10983.3 Ų83.347%0.47447%0.465SS..PPolyproline II helixtrans-63.4138.3173.8-172.5176.4-174.3-178.20110G187 D189G187-K263 WeakPolarHBondContact O-CE 3.49Å; D189-K263 WeakPolarHBondContact OD1-CD 3.34Å; D189-K263 WeakPolarHBondContact OD1-CG 3.22Å
264G74.9Confident69.8Low10 Ų1082.2 Ų82.210%0.10346%0.456CS..PPolyproline II helixtrans-60.6147.8173.900000111.7G117 F188G117-G264 WeakPolarHBondContact O-CA 3.38Å; F188-G264 PolarHBondContact O-N 2.92Å
265H75Confident70.9Confident146 Ų14681.1 Ų81.168%0.67644%0.437SS*.PPolyproline II helixtrans-64.3153.6176.8-58.6-58.7000111.7S119 G120 G187S119-H265 WeakPolarHBondContact CA-O 3.42Å; G120-H265 PolarHBondContact N-O 3.33Å; G187-H265 PolarHBondContact N-O 2.83Å
266E78.5Confident71.7Confident138 Ų13880.2 Ų80.265%0.64543%0.428SS*.PPolyproline II helixtrans-60.3144.4169-57.7-174.9174.600109.8N186N186-E266 WeakPolarHBondContact OD1-CG 3.3Å; N186-E266 PolarHBondContact OD1-OE1 3.07Å
267G74.8Confident72.6Confident16 Ų1678.8 Ų78.817%0.16543%0.426CS..PPolyproline II helixtrans-66.9164.5174.300000111.7G120 A184 P185G120-G267 WeakPolarHBondContact O-CA 3.36Å; A184-G267 VanDerWaalsContact CB-CA 3.46Å; A184-G267 WeakPolarHBondContact CB-O 3.22Å; P185-G267 PolarHBondContact O-N 3.38Å
268F75.6Confident73.1Confident180 Ų18078.8 Ų78.879%0.78942%0.424SS*.PPolyproline II helixtrans-69.7136173.7-62.6-73.4000110.7G123G123-F268 PolarHBondContact N-O 3.18Å
269A76.2Confident73.6Confident78 Ų7878.8 Ų78.865%0.64542%0.424SS*.PPolyproline II helixtrans-59.5142.5174.100000111.3
270G73.9Confident73.9Confident14 Ų1477 Ų7714%0.14442%0.42CS..PPolyproline II helixtrans-62.5146.6173.100000111.3
271Q74.8Confident74.3Confident148 Ų14874.4 Ų74.469%0.69242%0.42SS*.PPolyproline II helixtrans-67.6146.2176.6-65.8-176.8-0.700110.4N125 G126N125-Q271 PolarHBondContact OD1-N 2.95Å; G126-Q271 PolarHBondContact N-O 3.06Å
272A76.2Confident74.5Confident76 Ų7674.6 Ų74.663%0.62842%0.422SS*.PPolyproline II helixtrans-64.3141.6172.600000110.4
273G71.9Confident74.6Confident13 Ų1377.8 Ų77.813%0.13443%0.431CS..PPolyproline II helixtrans-61.2137.517500000111.2E127 L179E127-G273 WeakPolarHBondContact O-CA 3.5Å; L179-G273 PolarHBondContact O-N 3.24Å
274V75.5Confident74.3Confident88 Ų8878.6 Ų78.653%0.53344%0.437SS..PPolyproline II helixtrans-70.4148.8175.7-62.70000110.6H128 G129H128-V274 HydrophobicContact CB-CG2 4.2Å; G129-V274 PolarHBondContact N-O 2.79Å
275R77.4Confident73.9Confident90 Ų9078.4 Ų78.434%0.3443%0.434SS..PPolyproline II helixtrans-64.8142.5174.7-170.5179.2-176.4138.4-2.9111.3R174 G175 D176 D177R174-R275 VanDerWaalsContact CD-NH2 3.29Å; R174-R275 VanDerWaalsContact CZ-CZ 3.42Å; R174-R275 VanDerWaalsContact CZ-NH1 3.31Å; G175-R275 VanDerWaalsContact O-CZ 3.3Å; G175-R275 PolarHBondContact O-NE 3.35Å; G175-R275 PolarHBondContact O-NH2 3Å; D176-R275 VanDerWaalsContact O-CG 3.23Å; D176-R275 WeakPolarHBondContact O-CG 3.07Å; D177-R275 WeakPolarHBondContact OD1-CD 3.49Å; D177-R275 WeakPolarHBondContact OD1-CG 3.23Å; D177-R275 IonicContact OD1-CZ 2.81Å; D177-R275 IonicContact OD1-NE 2.86Å; D177-R275 PolarHBondContact OD1-NE 3.32Å; D177-R275 IonicContact OD1-NH1 3.8Å; D177-R275 PolarHBondContact OD1-NH1 3.19Å; D177-R275 IonicContact OD2-NH1 3.09Å
276G70.6Confident73.8Confident6 Ų677.3 Ų77.36%0.06243%0.432CS..PPolyproline II helixtrans-63.9150175.100000113.3G129 D176G129-G276 WeakPolarHBondContact O-CA 3.28Å; D176-G276 PolarHBondContact O-N 3.37Å
277P73.8Confident73Confident78 Ų7874.7 Ų74.751%0.50643%0.427SS..PPolyproline II helixtrans-65.2157177.628.5-34.4000111.4P131 G132 G175P131-P277 HydrophobicContact CB-CG 4.03Å; P131-P277 HydrophobicContact CG-CG 4.13Å; G132-P277 PolarHBondContact N-O 3.25Å; G175-P277 PolarHBondContact N-O 3.4Å
278P71.5Confident72.3Confident83 Ų8374.3 Ų74.354%0.53942%0.423SS..PPolyproline II helixtrans-56.8148.9169.2-20.732.5000111.8
279G70.9Confident71.3Confident6 Ų671.3 Ų71.36%0.06242%0.415CS..PPolyproline II helixtrans-65.8154.3173.300000112.3G132 H133 P173G132-G279 WeakPolarHBondContact O-CA 3.19Å; H133-G279 WeakPolarHBondContact O-CA 3.29Å; P173-G279 PolarHBondContact O-N 3.16Å
280P72.7Confident70.3Confident80 Ų8072.3 Ų72.352%0.51941%0.41SS..PPolyproline II helixtrans-62154.3178.427.5-34.2000111P134 G135 G172P134-P280 WeakPolarHBondContact CA-O 3.46Å; P134-P280 HydrophobicContact CB-CG 3.95Å; P134-P280 HydrophobicContact CG-CG 3.91Å; G135-P280 PolarHBondContact N-O 2.78Å; G172-P280 PolarHBondContact N-O 3.34Å
281V76.3Confident69.1Low88 Ų8871.9 Ų71.953%0.53341%0.406SS..PPolyproline II helixtrans-62.3139172.2-176.30000109.2G169 T171G169-V281 VanDerWaalsContact O-CG1 3.28Å; G169-V281 WeakPolarHBondContact O-CG1 3.44Å; T171-V281 HydrophobicContact CG2-CG2 4.4Å
282G72.6Confident67.5Low9 Ų967.1 Ų67.19%0.09339%0.387CS..PPolyproline II helixtrans-57.9154.3174.900000112G135 L170G135-G282 WeakPolarHBondContact O-CA 3.23Å; L170-G282 PolarHBondContact O-N 3.34Å
283K75.9Confident65.9Low178 Ų17864 Ų6477%0.77436%0.36SS*.PPolyproline II helixtrans-59.8142.9176.8-66.9-176.9179.4-179.80110A137 G138A137-K283 WeakPolarHBondContact CA-O 3.46Å; G138-K283 PolarHBondContact N-O 2.88Å
284Q71.4Confident64.5Low126 Ų12665.6 Ų65.659%0.58937%0.368SS*.PPolyproline II helixtrans-61.2142.5172.1-171.4178.48.700110.1G166G166-Q284 PolarHBondContact O-NE2 2.89Å
285G67.3Low62.6Low5 Ų562.4 Ų62.45%0.05235%0.349CS..PPolyproline II helixtrans-60.4144.3171.300000111.3G138 L167G138-G285 VanDerWaalsContact O-CA 3.3Å; G138-G285 WeakPolarHBondContact O-CA 3.07Å; L167-G285 PolarHBondContact O-N 2.83Å
286I71.3Confident60.9Low123 Ų12364.5 Ų64.563%0.63136%0.358SS*.PPolyproline II helixtrans-64.7139.6178.1-53.8168.8000108.1S140 G141S140-I286 WeakPolarHBondContact CA-O 3.23Å; G141-I286 PolarHBondContact N-O 3.36Å
287P61.9Low59.4Low84 Ų8464.9 Ų64.955%0.54536%0.359SS..PPolyproline II helixtrans-52.9143.2171.4-25.434.6000111.5
288G60Low57.7Low8 Ų864 Ų648%0.08236%0.358CS..PPolyproline II helixtrans-63.6145.5170.500000109.9G141 G163 L164G141-G288 WeakPolarHBondContact O-CA 3.33Å; G163-G288 WeakPolarHBondContact CA-O 3.45Å; L164-G288 PolarHBondContact O-N 2.96Å
289N55.7Low56.3Low116 Ų11666.1 Ų66.162%0.6237%0.365SS*.PPolyproline II helixtrans-60.2144.9171-64-12.9000109.9V143 G291V143-N289 HydrophobicContact CG1-CB 3.96Å; V143-N289 HydrophobicContact CG2-CB 3.97Å; N289-G291 PolarHBondContact O-N 3.36Å
290D54.4Low54.9Low99 Ų9969.3 Ų69.353%0.52938%0.381SS..PPolyproline II helixtrans-59.2132.8174.2-67.7-21.3000110.2Q162 G163Q162-D290 WeakPolarHBondContact CA-OD1 3.28Å; Q162-D290 WeakPolarHBondContact CG-OD1 3.46Å; G163-D290 PolarHBondContact N-OD1 3.19Å; G163-D290 VanDerWaalsContact N-OD1 3.16Å
291G48.3Very low53.3Low6 Ų666.2 Ų66.26%0.06236%0.364CS..PPolyproline II helixtrans-72.8147.8173.100000110.8M144 L161 N289M144-G291 WeakPolarHBondContact O-CA 3.34Å; L161-G291 PolarHBondContact O-N 3.32Å; N289-G291 PolarHBondContact O-N 3.36Å
292V42.4Very low51.6Low48 Ų4862.3 Ų62.329%0.29134%0.341SS..BIsolated β-bridgetrans-84.5127.8171.6-177.20000108.4L145 N146 L147 P294L145-V292 PolarHBondContact O-N 2.88Å; N146-V292 HydrophobicContact CB-CG2 4.3Å; N146-V292 VanDerWaalsContact OD1-CB 3.23Å; N146-V292 WeakPolarHBondContact OD1-CB 3.46Å; N146-V292 WeakPolarHBondContact OD1-CG2 3.31Å; L147-V292 PolarHBondContact N-O 3.48Å; L147-V292 WeakPolarHBondContact O-CG1 3.09Å; V292-P294 VanDerWaalsContact O-CD 3.31Å; V292-P294 WeakPolarHBondContact O-CD 3.49Å; V292-P294 VanDerWaalsContact O-N 3.13Å
293C41.6Very low50.1Low10 Ų1064.3 Ų64.37%0.06835%0.351CS..  trans-43.3111.2-176.5-80.50000112.4P158 C160 T295P158-C293 PolarHBondContact O-SG 2.99Å; P158-C293 VanDerWaalsContact O-SG 3.35Å; C160-C293 WeakPolarHBondContact CA-SG 3.22Å; C160-C293 HydrophobicContact CB-CB 4.38Å; C160-C293 WeakPolarHBondContact CB-SG 3.41Å; C160-C293 PolarHBondContact N-SG 3.42Å; C160-C293 VanDerWaalsContact N-SG 3.45Å; C160-C293 WeakPolarHBondContact SG-CB 3.12Å; C160-C293 CovalentContact SG-SG 2.07Å; C160-C293 PolarHBondContact SG-SG 3.07Å; C293-T295 VanDerWaalsContact C-N 3.33Å; C293-T295 PolarHBondContact O-N 3.46Å
294P42.1Very low48.7Very low46 Ų4656.8 Ų56.830%0.29932%0.319SS..  trans-76.484.2175.630.8-33.8000109.9L147 V292 Y296L147-P294 HydrophobicContact CB-CB 4.07Å; L147-P294 HydrophobicContact CD1-CB 3.54Å; L147-P294 HydrophobicContact CG-CB 4.43Å; V292-P294 VanDerWaalsContact O-CD 3.31Å; V292-P294 WeakPolarHBondContact O-CD 3.49Å; V292-P294 VanDerWaalsContact O-N 3.13Å; P294-Y296 PolarHBondContact O-N 3.27Å
295T37.1Very low47.3Very low21 Ų2156.4 Ų56.413%0.12931%0.313CS..THydrogen-bonded Turntrans-65.4-20.417733.30000113.4C149 C157 C293 N299C149-T295 WeakPolarHBondContact SG-CG2 3.39Å; C149-T295 PolarHBondContact SG-OG1 3.35Å; C157-T295 HydrophobicContact CB-CG2 4.48Å; C157-T295 VanDerWaalsContact SG-CG2 3.56Å; C293-T295 VanDerWaalsContact C-N 3.33Å; C293-T295 PolarHBondContact O-N 3.46Å; T295-N299 PolarHBondContact O-ND2 3.45Å
296Y40.3Very low46.1Very low135 Ų13559.2 Ų59.253%0.52933%0.326SS..THydrogen-bonded Turntrans-81.2-41.5-173.4-81.4-70.5000115E150 P294E150-Y296 HydrophobicContact CB-CE2 4.17Å; E150-Y296 HydrophobicContact CG-CE2 4.05Å; E150-Y296 PolarHBondContact OE2-OH 3.23Å; P294-Y296 PolarHBondContact O-N 3.27Å
297C40.5Very low44.6Very low14 Ų1456.2 Ų56.210%0.09531%0.311CS..THydrogen-bonded Turntrans-100.2-10.7-172.9-600000114.4N299 D300 G301 F304 C333C297-N299 VanDerWaalsContact C-N 3.26Å; C297-N299 PolarHBondContact O-N 2.07Å; C297-D300 PolarHBondContact O-N 2.92Å; C297-G301 PolarHBondContact O-N 3.18Å; C297-F304 HydrophobicContact CB-CE2 3.55Å; C297-F304 HydrophobicContact CB-CZ 4.27Å; C297-C333 WeakPolarHBondContact CB-SG 3.36Å; C297-C333 WeakPolarHBondContact SG-CB 3.47Å; C297-C333 CovalentContact SG-SG 2.08Å; C297-C333 PolarHBondContact SG-SG 2.86Å
298A37.7Very low43.6Very low58 Ų5856.9 Ų56.948%0.47932%0.316SS..G310 helixtrans-69.1-25.417300000112.7D300 G301A298-D300 PolarHBondContact O-N 2.95Å; A298-G301 PolarHBondContact O-N 3.42Å
299N41.5Very low43.1Very low128 Ų12866.9 Ų66.968%0.68435%0.351SS*.G310 helixtrans-64.5-20.9177.9-68.6-27.3000112.6T295 C297T295-N299 PolarHBondContact O-ND2 3.45Å; C297-N299 VanDerWaalsContact C-N 3.26Å; C297-N299 PolarHBondContact O-N 2.07Å
300D42.6Very low42.5Very low73 Ų7363.8 Ų63.839%0.3935%0.347SS..G310 helixtrans-110.70.5179.3-70.3-35.7000114.6C297 A298 W317 K329C297-D300 PolarHBondContact O-N 2.92Å; A298-D300 PolarHBondContact O-N 2.95Å; D300-W317 HydrophobicContact CB-CH2 4.42Å; D300-W317 HydrophobicContact CB-CZ3 4.19Å; D300-W317 VanDerWaalsContact O-CZ3 3.28Å; D300-W317 WeakPolarHBondContact O-CZ3 3.4Å; D300-K329 HydrophobicContact CB-CD 4.28Å
301G39Very low41.9Very low16 Ų1666.7 Ų66.717%0.16536%0.361CS..THydrogen-bonded Turntrans89.519.3169.600000116.7C297 A298C297-G301 PolarHBondContact O-N 3.18Å; A298-G301 PolarHBondContact O-N 3.42Å
302G39.6Very low41.4Very low6 Ų672 Ų726%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-101.7138.6173.200000112.4
303V42.3Very low41.5Very low50 Ų5072.3 Ų72.330%0.30338%0.384SS..EExtended strand (participates in β ladder)trans-117.8135.1167.4-166.70000109.6Y305 L316V303-Y305 HydrophobicContact CB-CE2 3.82Å; V303-Y305 HydrophobicContact CG1-CD2 4.31Å; V303-Y305 HydrophobicContact CG1-CE1 3.98Å; V303-Y305 HydrophobicContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-OH 3.28Å; V303-Y305 WeakPolarHBondContact CG1-OH 3.23Å; V303-L316 PolarHBondContact N-O 3.1Å; V303-L316 PolarHBondContact O-N 3.49Å
304F46.5Very low41.5Very low21 Ų2174.8 Ų74.89%0.09240%0.402CS..EExtended strand (participates in β ladder)trans-103.8135.6179.5-57.3-77.8000110.8C297 L313 V315 C333C297-F304 HydrophobicContact CB-CE2 3.55Å; C297-F304 HydrophobicContact CB-CZ 4.27Å; F304-L313 HydrophobicContact CB-CD2 4.11Å; F304-L313 HydrophobicContact CD1-CD2 3.38Å; F304-L313 HydrophobicContact CE1-CD2 4.13Å; F304-L313 HydrophobicContact CG-CD2 4.08Å; F304-V315 HydrophobicContact CD1-CB 4.47Å; F304-V315 HydrophobicContact CD1-CG1 4.14Å; F304-V315 HydrophobicContact CD1-CG2 3.78Å; F304-V315 HydrophobicContact CE1-CB 4.49Å; F304-V315 HydrophobicContact CE1-CG1 3.9Å; F304-V315 HydrophobicContact CE1-CG2 3.8Å; F304-C333 HydrophobicContact CE2-CB 4.47Å; F304-C333 HydrophobicContact CZ-CB 3.82Å
305Y41.5Very low41.8Very low117 Ų11774.9 Ų74.946%0.45940%0.402SS..EExtended strand (participates in β ladder)trans-133140.1171.2-54.6-84.5000110.2V303 S314V303-Y305 HydrophobicContact CB-CE2 3.82Å; V303-Y305 HydrophobicContact CG1-CD2 4.31Å; V303-Y305 HydrophobicContact CG1-CE1 3.98Å; V303-Y305 HydrophobicContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-OH 3.28Å; V303-Y305 WeakPolarHBondContact CG1-OH 3.23Å; Y305-S314 PolarHBondContact N-O 2.97Å; Y305-S314 PolarHBondContact O-N 2.8Å
306L41.6Very low41.9Very low64 Ų6479.1 Ų79.134%0.33542%0.423SS..EExtended strand (participates in β ladder)trans-91.7132.3170.1-78.5160.9000109.5L145 L313L145-L306 HydrophobicContact CD1-CD1 4.44Å; L145-L306 HydrophobicContact CD2-CD1 4.13Å; L145-L306 HydrophobicContact CG-CD1 4.2Å; L306-L313 HydrophobicContact CD2-CD1 4.22Å; L306-L313 HydrophobicContact CD2-CG 4.44Å
307N40.3Very low42Very low60 Ų6074.6 Ų74.632%0.32141%0.405SS..  trans-61.4142.1166.2-173.5-27.3000109.2R309 G310 E312N307-R309 PolarHBondContact O-N 3.46Å; N307-R309 PolarHBondContact OD1-N 3.4Å; N307-G310 PolarHBondContact O-N 3.26Å; N307-E312 HydrophobicContact CB-CB 4.04Å; N307-E312 PolarHBondContact N-O 3.17Å
308P41.1Very low42Very low98 Ų9880 Ų8064%0.63643%0.432SS*.THydrogen-bonded Turntrans-49.8-21.21778.8-25.5000116.5L142 G310L142-P308 HydrophobicContact CD2-CB 3.98Å; P308-G310 PolarHBondContact O-N 3.4Å
309R48.9Very low42.2Very low218 Ų21884 Ų8482%0.82344%0.444SS*.THydrogen-bonded Turntrans-75.7-1.8172.2-66.4-173.7179.2176.90.5114.3N307 L311N307-R309 PolarHBondContact O-N 3.46Å; N307-R309 PolarHBondContact OD1-N 3.4Å; R309-L311 WeakPolarHBondContact O-CG 3.39Å; R309-L311 PolarHBondContact O-N 2.92Å
310G43.4Very low42.5Very low51 Ų5179.5 Ų79.553%0.52642%0.42SS..SBendtrans73.13.2175.300000115.9N307 P308N307-G310 PolarHBondContact O-N 3.26Å; P308-G310 PolarHBondContact O-N 3.4Å
311L40.8Very low43.2Very low160 Ų16085.4 Ų85.484%0.83845%0.445SS*.  trans-114.2-7-166.6-70.6164.8000114.8R309R309-L311 WeakPolarHBondContact O-CG 3.39Å; R309-L311 PolarHBondContact O-N 2.92Å
312E39.4Very low44.2Very low118 Ų11888.7 Ų88.755%0.55146%0.459SS*.  trans-132.3114.7-172-150.2171.8-154.400110.4N307N307-E312 HydrophobicContact CB-CB 4.04Å; N307-E312 PolarHBondContact N-O 3.17Å
313L42.6Very low45.2Very low54 Ų5495.8 Ų95.828%0.28349%0.49SS..EExtended strand (participates in β ladder)trans-94.9105.5178.5-148.8138.6000107.4F304 L306 V315 L344F304-L313 HydrophobicContact CB-CD2 4.11Å; F304-L313 HydrophobicContact CD1-CD2 3.38Å; F304-L313 HydrophobicContact CE1-CD2 4.13Å; F304-L313 HydrophobicContact CG-CD2 4.08Å; L306-L313 HydrophobicContact CD2-CD1 4.22Å; L306-L313 HydrophobicContact CD2-CG 4.44Å; L313-V315 HydrophobicContact CD2-CG2 4.32Å; L313-L344 HydrophobicContact CD1-CD2 4.26Å
314S42.6Very low46.1Very low63 Ų6396.6 Ų96.644%0.44150%0.498SS..EExtended strand (participates in β ladder)trans-93.8129.1-179.7-61.90000109.4Y305Y305-S314 PolarHBondContact N-O 2.97Å; Y305-S314 PolarHBondContact O-N 2.8Å
315V47.6Very low46.7Very low48 Ų4898.6 Ų98.629%0.29151%0.51SS..EExtended strand (participates in β ladder)trans-111.6119179.7-163.60000109.1F304 L313 W317 L330F304-V315 HydrophobicContact CD1-CB 4.47Å; F304-V315 HydrophobicContact CD1-CG1 4.14Å; F304-V315 HydrophobicContact CD1-CG2 3.78Å; F304-V315 HydrophobicContact CE1-CB 4.49Å; F304-V315 HydrophobicContact CE1-CG1 3.9Å; F304-V315 HydrophobicContact CE1-CG2 3.8Å; L313-V315 HydrophobicContact CD2-CG2 4.32Å; V315-W317 HydrophobicContact CG1-CG 4.43Å; V315-L330 HydrophobicContact CG1-CD1 4.48Å; V315-L330 HydrophobicContact CG2-CD1 3.77Å
316L40.3Very low47.4Very low109 Ų10994.4 Ų94.457%0.57150%0.496SS*.EExtended strand (participates in β ladder)trans-102.6109.6170.8-139.4104.8000108V303 L318V303-L316 PolarHBondContact N-O 3.1Å; V303-L316 PolarHBondContact O-N 3.49Å; L316-L318 HydrophobicContact CD2-CD2 3.82Å; L316-L318 HydrophobicContact CD2-CG 4.07Å
317W42.9Very low48.1Very low41 Ų4196.5 Ų96.516%0.15551%0.505CS..EExtended strand (participates in β ladder)trans-92.2110.2171.3-73.590.7000108.5D300 V315 V326 K329D300-W317 HydrophobicContact CB-CH2 4.42Å; D300-W317 HydrophobicContact CB-CZ3 4.19Å; D300-W317 VanDerWaalsContact O-CZ3 3.28Å; D300-W317 WeakPolarHBondContact O-CZ3 3.4Å; V315-W317 HydrophobicContact CG1-CG 4.43Å; W317-V326 HydrophobicContact CD2-CG1 4.35Å; W317-V326 HydrophobicContact CG-CG1 3.97Å; W317-V326 HydrophobicContact CG-CG2 4.4Å; W317-K329 HydrophobicContact CE3-CD 4.34Å; W317-K329 HydrophobicContact CH2-CB 3.35Å; W317-K329 HydrophobicContact CH2-CD 3.78Å; W317-K329 HydrophobicContact CH2-CG 4.14Å; W317-K329 HydrophobicContact CZ2-CB 3.7Å; W317-K329 HydrophobicContact CZ3-CB 4.06Å; W317-K329 HydrophobicContact CZ3-CD 3.56Å; W317-K329 HydrophobicContact CZ3-CG 4.42Å
318L38.8Very low49.1Very low127 Ų127100.7 Ų100.767%0.66552%0.52SS*.SBendtrans-85.3-11.2-176.9-76.9164.9000113.6L316L316-L318 HydrophobicContact CD2-CD2 3.82Å; L316-L318 HydrophobicContact CD2-CG 4.07Å
319L43Very low49.8Very low141 Ų14198.5 Ų98.574%0.73850%0.5SS*.SBendtrans-132.1-3.8-162.6-65.9171.8000115.9
320D48.6Very low50.2Low34 Ų3490.3 Ų90.318%0.18247%0.473CS..  trans-135.4113.5-178-151.8-23.2000110.9N322 N325 V326 K329D320-N322 PolarHBondContact OD1-N 3.4Å; D320-N325 WeakPolarHBondContact OD2-CB 3.27Å; D320-V326 HydrophobicContact CB-CG2 4.04Å; D320-V326 VanDerWaalsContact O-CG2 3.23Å; D320-V326 WeakPolarHBondContact O-CG2 3.21Å; D320-K329 IonicContact OD2-NZ 3.98Å; D320-K329 PolarHBondContact OD2-NZ 2.81Å
321H56.4Low50.9Low198 Ų19892.1 Ų92.192%0.91747%0.471SS*.  trans-88.7-6.5177.7-71-63.6000112.8E323H321-E323 PolarHBondContact O-N 2.79Å
322N60.1Low51.6Low84 Ų8489.9 Ų89.945%0.44945%0.454SS..  trans-85107-179.7-175.52.2000110.7D320 S324 N325 V326D320-N322 PolarHBondContact OD1-N 3.4Å; N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.19Å; N322-S324 VanDerWaalsContact O-N 3.17Å; N322-S324 PolarHBondContact OD1-N 3.5Å; N322-N325 HydrophobicContact CB-CB 4.2Å; N322-N325 PolarHBondContact ND2-ND2 3.33Å; N322-N325 WeakPolarHBondContact O-CB 3.28Å; N322-N325 PolarHBondContact O-N 3.22Å; N322-V326 WeakPolarHBondContact O-CG2 3.21Å; N322-V326 PolarHBondContact O-N 3.25Å
323E60.3Low52.1Low155 Ų15584.5 Ų84.572%0.72443%0.43SS*.Hα-helixtrans-55.1-36.9-174.4-162.4176.1-165.800113.3H321 V326 Q327H321-E323 PolarHBondContact O-N 2.79Å; E323-V326 PolarHBondContact O-N 3.44Å; E323-Q327 WeakPolarHBondContact O-CB 3.21Å; E323-Q327 PolarHBondContact O-N 2.08Å
324S62.3Low52.7Low67 Ų6783.3 Ų83.347%0.46942%0.423SS..Hα-helixtrans-68-37.6176.4-102.40000113.1N322 K328N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.19Å; N322-S324 VanDerWaalsContact O-N 3.17Å; N322-S324 PolarHBondContact OD1-N 3.5Å; S324-K328 WeakPolarHBondContact O-CB 3.49Å; S324-K328 VanDerWaalsContact O-CG 3.32Å; S324-K328 WeakPolarHBondContact O-CG 3.27Å; S324-K328 PolarHBondContact O-N 3.35Å
325N58.3Low53.2Low64 Ų6486.8 Ų86.834%0.34243%0.433SS..Hα-helixtrans-70.6-41.8174.8-78.1-14000110.4D320 N322 Q327 K328 K329D320-N325 WeakPolarHBondContact OD2-CB 3.27Å; N322-N325 HydrophobicContact CB-CB 4.2Å; N322-N325 PolarHBondContact ND2-ND2 3.33Å; N322-N325 WeakPolarHBondContact O-CB 3.28Å; N322-N325 PolarHBondContact O-N 3.22Å; N325-Q327 VanDerWaalsContact C-N 3.35Å; N325-Q327 PolarHBondContact O-N 3.1Å; N325-K328 PolarHBondContact O-N 3.3Å; N325-K329 WeakPolarHBondContact O-CB 3.27Å; N325-K329 VanDerWaalsContact O-CG 3.28Å; N325-K329 WeakPolarHBondContact O-CG 2.84Å; N325-K329 PolarHBondContact O-N 3.41Å
326V55Low53.2Low28 Ų2890.1 Ų90.117%0.1744%0.44CS..Hα-helixtrans-58.7-47175.1173.10000110.5W317 D320 N322 E323 K329 L330W317-V326 HydrophobicContact CD2-CG1 4.35Å; W317-V326 HydrophobicContact CG-CG1 3.97Å; W317-V326 HydrophobicContact CG-CG2 4.4Å; D320-V326 HydrophobicContact CB-CG2 4.04Å; D320-V326 VanDerWaalsContact O-CG2 3.23Å; D320-V326 WeakPolarHBondContact O-CG2 3.21Å; N322-V326 WeakPolarHBondContact O-CG2 3.21Å; N322-V326 PolarHBondContact O-N 3.25Å; E323-V326 PolarHBondContact O-N 3.44Å; V326-K329 PolarHBondContact O-N 2.92Å; V326-L330 WeakPolarHBondContact O-CB 3.09Å; V326-L330 PolarHBondContact O-N 3.34Å
327Q57.4Low53.6Low109 Ų10985.4 Ų85.451%0.50942%0.415SS..Hα-helixtrans-63.6-42.7176.3-93.6-172.6-34.200112.8E323 N325 L330 N331E323-Q327 WeakPolarHBondContact O-CB 3.21Å; E323-Q327 PolarHBondContact O-N 2.08Å; N325-Q327 VanDerWaalsContact C-N 3.35Å; N325-Q327 PolarHBondContact O-N 3.1Å; Q327-L330 PolarHBondContact O-N 3.17Å; Q327-N331 WeakPolarHBondContact O-CB 3.34Å; Q327-N331 VanDerWaalsContact O-CG 3.27Å; Q327-N331 PolarHBondContact O-N 3Å
328K60.4Low53.8Low147 Ų14787.7 Ų87.764%0.63943%0.429SS*.Hα-helixtrans-62-44.9176.7-77.9177.2-177178.40111.5S324 N325 N331 F332S324-K328 WeakPolarHBondContact O-CB 3.49Å; S324-K328 VanDerWaalsContact O-CG 3.32Å; S324-K328 WeakPolarHBondContact O-CG 3.27Å; S324-K328 PolarHBondContact O-N 3.35Å; N325-K328 PolarHBondContact O-N 3.3Å; K328-N331 PolarHBondContact O-N 2.9Å; K328-F332 VanDerWaalsContact O-CB 3.31Å; K328-F332 WeakPolarHBondContact O-CB 3.32Å; K328-F332 PolarHBondContact O-N 3.44Å
329K56.9Low54Low52 Ų5287.8 Ų87.823%0.22643%0.427CS..Hα-helixtrans-66.2-39.1177-70172.6173.6173.10111.6D300 W317 D320 N325 V326 F332 C333D300-K329 HydrophobicContact CB-CD 4.28Å; W317-K329 HydrophobicContact CE3-CD 4.34Å; W317-K329 HydrophobicContact CH2-CB 3.35Å; W317-K329 HydrophobicContact CH2-CD 3.78Å; W317-K329 HydrophobicContact CH2-CG 4.14Å; W317-K329 HydrophobicContact CZ2-CB 3.7Å; W317-K329 HydrophobicContact CZ3-CB 4.06Å; W317-K329 HydrophobicContact CZ3-CD 3.56Å; W317-K329 HydrophobicContact CZ3-CG 4.42Å; D320-K329 IonicContact OD2-NZ 3.98Å; D320-K329 PolarHBondContact OD2-NZ 2.81Å; N325-K329 WeakPolarHBondContact O-CB 3.27Å; N325-K329 VanDerWaalsContact O-CG 3.28Å; N325-K329 WeakPolarHBondContact O-CG 2.84Å; N325-K329 PolarHBondContact O-N 3.41Å; V326-K329 PolarHBondContact O-N 2.92Å; K329-F332 PolarHBondContact O-N 2.93Å; K329-C333 PolarHBondContact O-N 2.81Å
330L57.5Low54.1Low46 Ų4684.5 Ų84.524%0.24141%0.413CS..Hα-helixtrans-62-52174.7-176.570.5000110.9V315 V326 Q327 F332 C333 L334V315-L330 HydrophobicContact CG1-CD1 4.48Å; V315-L330 HydrophobicContact CG2-CD1 3.77Å; V326-L330 WeakPolarHBondContact O-CB 3.09Å; V326-L330 PolarHBondContact O-N 3.34Å; Q327-L330 PolarHBondContact O-N 3.17Å; L330-F332 VanDerWaalsContact C-N 3.28Å; L330-F332 PolarHBondContact O-N 3.38Å; L330-C333 PolarHBondContact O-N 3.49Å; L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CG 4.39Å; L330-L334 HydrophobicContact CD2-CD1 4.27Å; L330-L334 HydrophobicContact CG-CD1 3.79Å; L330-L334 HydrophobicContact CG-CG 4.26Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 VanDerWaalsContact O-CG 3.27Å; L330-L334 WeakPolarHBondContact O-CG 3.35Å; L330-L334 PolarHBondContact O-N 3.3Å
331N57.2Low53.6Low90 Ų9085.7 Ų85.748%0.48143%0.433SS..Hα-helixtrans-59.7-41.2178.1-72.7-8.5000111.2Q327 K328 L334 E335Q327-N331 WeakPolarHBondContact O-CB 3.34Å; Q327-N331 VanDerWaalsContact O-CG 3.27Å; Q327-N331 PolarHBondContact O-N 3Å; K328-N331 PolarHBondContact O-N 2.9Å; N331-L334 PolarHBondContact O-N 2.78Å; N331-E335 WeakPolarHBondContact O-CG 3.23Å; N331-E335 PolarHBondContact O-N 3.35Å
332F56.7Low52.8Low112 Ų11280.2 Ų80.249%0.49141%0.406SS..Hα-helixtrans-61.8-46.7176-178.4-96.4000112.6K328 K329 L330 R336K328-F332 VanDerWaalsContact O-CB 3.31Å; K328-F332 WeakPolarHBondContact O-CB 3.32Å; K328-F332 PolarHBondContact O-N 3.44Å; K329-F332 PolarHBondContact O-N 2.93Å; L330-F332 VanDerWaalsContact C-N 3.28Å; L330-F332 PolarHBondContact O-N 3.38Å; F332-R336 PolarHBondContact O-N 2.94Å
333C49.9Very low51.6Low6 Ų684.4 Ų84.44%0.04142%0.423CS..Hα-helixtrans-67.5-36.2175-80.20000111.6C297 F304 K329 L330 R336 L337C297-C333 WeakPolarHBondContact CB-SG 3.36Å; C297-C333 WeakPolarHBondContact SG-CB 3.47Å; C297-C333 CovalentContact SG-SG 2.08Å; C297-C333 PolarHBondContact SG-SG 2.86Å; F304-C333 HydrophobicContact CE2-CB 4.47Å; F304-C333 HydrophobicContact CZ-CB 3.82Å; K329-C333 PolarHBondContact O-N 2.81Å; L330-C333 PolarHBondContact O-N 3.49Å; C333-R336 PolarHBondContact O-N 2.81Å; C333-L337 WeakPolarHBondContact O-CB 3.49Å; C333-L337 WeakPolarHBondContact O-CG 3.49Å; C333-L337 PolarHBondContact O-N 2.95Å
334L54.7Low50.5Low29 Ų2978.2 Ų78.215%0.15240%0.395CS..Hα-helixtrans-65.8-45.5178-76.1172.1000112.2L330 N331 R336 L337 I338 L344L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CG 4.39Å; L330-L334 HydrophobicContact CD2-CD1 4.27Å; L330-L334 HydrophobicContact CG-CD1 3.79Å; L330-L334 HydrophobicContact CG-CG 4.26Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 VanDerWaalsContact O-CG 3.27Å; L330-L334 WeakPolarHBondContact O-CG 3.35Å; L330-L334 PolarHBondContact O-N 3.3Å; N331-L334 PolarHBondContact O-N 2.78Å; L334-R336 VanDerWaalsContact C-N 3.27Å; L334-R336 PolarHBondContact O-N 3.24Å; L334-L337 WeakPolarHBondContact O-CB 3.31Å; L334-L337 PolarHBondContact O-N 2.97Å; L334-L337 VanDerWaalsContact O-N 3.13Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.13Å; L334-L344 HydrophobicContact CD2-CD1 3.5Å; L334-L344 VanDerWaalsContact CD2-CD1 3.5Å; L334-L344 HydrophobicContact CD2-CD2 3.65Å; L334-L344 HydrophobicContact CD2-CG 4.13Å
335E52.4Low49Very low135 Ų13579.4 Ų79.463%0.63140%0.399SS*.Hα-helixtrans-60.5-39177.4-73.2-142.2163.500111.7N331 I338 E339N331-E335 WeakPolarHBondContact O-CG 3.23Å; N331-E335 PolarHBondContact O-N 3.35Å; E335-I338 PolarHBondContact O-N 3.45Å; E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 3.37Å; E335-E339 VanDerWaalsContact O-N 3.09Å
336R48.9Very low47.9Very low119 Ų11979.4 Ų79.445%0.44940%0.401SS..Hα-helixtrans-71.7-31.8175.5-92.154.1158.4109.6-9.6113F332 C333 L334 I338 E339 T340F332-R336 PolarHBondContact O-N 2.94Å; C333-R336 PolarHBondContact O-N 2.81Å; L334-R336 VanDerWaalsContact C-N 3.27Å; L334-R336 PolarHBondContact O-N 3.24Å; R336-I338 VanDerWaalsContact C-N 3.33Å; R336-E339 WeakPolarHBondContact CD-OE2 3.48Å; R336-E339 IonicContact CZ-OE2 3.08Å; R336-E339 IonicContact NE-OE2 3.29Å; R336-E339 IonicContact NH1-OE1 2.83Å; R336-E339 PolarHBondContact NH1-OE1 3.22Å; R336-E339 VanDerWaalsContact NH1-OE1 3.09Å; R336-E339 IonicContact NH1-OE2 3.2Å; R336-E339 PolarHBondContact NH1-OE2 3.33Å; R336-E339 WeakPolarHBondContact O-CB 3.36Å; R336-E339 PolarHBondContact O-N 3.42Å; R336-T340 PolarHBondContact O-N 3.34Å; R336-T340 PolarHBondContact O-OG1 3.24Å
337L47.1Very low46.7Very low10 Ų1085.3 Ų85.35%0.05242%0.424CS..Hα-helixtrans-65.4-38.9172.7-80.7165.1000111.3L147 C333 L334 E339 T340 F342 L344L147-L337 HydrophobicContact CD2-CD2 3.77Å; C333-L337 WeakPolarHBondContact O-CB 3.49Å; C333-L337 WeakPolarHBondContact O-CG 3.49Å; C333-L337 PolarHBondContact O-N 2.95Å; L334-L337 WeakPolarHBondContact O-CB 3.31Å; L334-L337 PolarHBondContact O-N 2.97Å; L334-L337 VanDerWaalsContact O-N 3.13Å; L337-E339 VanDerWaalsContact C-N 3.34Å; L337-T340 PolarHBondContact O-N 3.19Å; L337-T340 PolarHBondContact O-OG1 3.37Å; L337-F342 HydrophobicContact CD2-CD2 4.36Å; L337-F342 PolarHBondContact O-N 3.01Å; L337-L344 HydrophobicContact CB-CD1 3.64Å; L337-L344 HydrophobicContact CD1-CD1 4.2Å
338I48Very low45.7Very low88 Ų8886.5 Ų86.545%0.45143%0.434SS..Hα-helixtrans-63.7-41.3174-64.3165.3000110.4L334 E335 R336 T340 G341 L344L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.13Å; E335-I338 PolarHBondContact O-N 3.45Å; R336-I338 VanDerWaalsContact C-N 3.33Å; I338-T340 PolarHBondContact O-N 3.43Å; I338-G341 PolarHBondContact O-N 3.18Å; I338-L344 HydrophobicContact CG1-CB 4.46Å; I338-L344 HydrophobicContact CG1-CD1 4.3Å
339E43.5Very low44.4Very low129 Ų12991.1 Ų91.160%0.60345%0.448SS*.Hα-helixtrans-60.1-29.4175.6-74.3176.316000113.3E335 R336 L337 G341E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 3.37Å; E335-E339 VanDerWaalsContact O-N 3.09Å; R336-E339 WeakPolarHBondContact CD-OE2 3.48Å; R336-E339 IonicContact CZ-OE2 3.08Å; R336-E339 IonicContact NE-OE2 3.29Å; R336-E339 IonicContact NH1-OE1 2.83Å; R336-E339 PolarHBondContact NH1-OE1 3.22Å; R336-E339 VanDerWaalsContact NH1-OE1 3.09Å; R336-E339 IonicContact NH1-OE2 3.2Å; R336-E339 PolarHBondContact NH1-OE2 3.33Å; R336-E339 WeakPolarHBondContact O-CB 3.36Å; R336-E339 PolarHBondContact O-N 3.42Å; L337-E339 VanDerWaalsContact C-N 3.34Å; E339-G341 VanDerWaalsContact C-N 3.25Å; E339-G341 PolarHBondContact O-N 3.38Å
340T44.8Very low43.2Very low73 Ų7390.5 Ų90.545%0.44846%0.457SS..THydrogen-bonded Turntrans-83.43.117753.80000113.9R336 L337 I338R336-T340 PolarHBondContact O-N 3.34Å; R336-T340 PolarHBondContact O-OG1 3.24Å; L337-T340 PolarHBondContact O-N 3.19Å; L337-T340 PolarHBondContact O-OG1 3.37Å; I338-T340 PolarHBondContact O-N 3.43Å
341G37.6Very low42.4Very low58 Ų58100.3 Ų100.360%0.59849%0.49SS*.THydrogen-bonded Turntrans90.411.917400000115I338 E339I338-G341 PolarHBondContact O-N 3.18Å; E339-G341 VanDerWaalsContact C-N 3.25Å; E339-G341 PolarHBondContact O-N 3.38Å
342F39.6Very low41.5Very low83 Ų83103.1 Ų103.136%0.36451%0.505SS..  trans-82119.2170.7-71-87.6000110.3L145 L337 L344L145-F342 HydrophobicContact CD2-CD1 4.27Å; L145-F342 HydrophobicContact CD2-CE1 3.5Å; L145-F342 VanDerWaalsContact CD2-CE1 3.5Å; L145-F342 HydrophobicContact CD2-CZ 3.66Å; L337-F342 HydrophobicContact CD2-CD2 4.36Å; L337-F342 PolarHBondContact O-N 3.01Å; F342-L344 PolarHBondContact O-N 3.08Å
343H34.3Very low40.3Very low172 Ų172102.7 Ų102.780%0.79652%0.516SS*.  trans-76.3103.6171.2-74.3-74.2000109.9
344L37.3Very low39.2Very low26 Ų26109.6 Ų109.614%0.13655%0.548CS..  trans-93.998.7-179.4-97.7147.7000109.9L313 L334 L337 I338 F342 T346L313-L344 HydrophobicContact CD1-CD2 4.26Å; L334-L344 HydrophobicContact CD2-CD1 3.5Å; L334-L344 VanDerWaalsContact CD2-CD1 3.5Å; L334-L344 HydrophobicContact CD2-CD2 3.65Å; L334-L344 HydrophobicContact CD2-CG 4.13Å; L337-L344 HydrophobicContact CB-CD1 3.64Å; L337-L344 HydrophobicContact CD1-CD1 4.2Å; I338-L344 HydrophobicContact CG1-CB 4.46Å; I338-L344 HydrophobicContact CG1-CD1 4.3Å; F342-L344 PolarHBondContact O-N 3.08Å; L344-T346 PolarHBondContact O-N 3.28Å; L344-T346 VanDerWaalsContact O-N 3.1Å
345V32.6Very low38Very low92 Ų92115.9 Ų115.956%0.55857%0.57SS**  trans-79.797173-176.70000108.7W355V345-W355 HydrophobicContact CG1-CD2 4.25Å; V345-W355 HydrophobicContact CG1-CE3 3.19Å; V345-W355 HydrophobicContact CG1-CZ3 3.4Å; V345-W355 VanDerWaalsContact CG1-CZ3 3.4Å
346T33.4Very low36.7Very low63 Ų63118.3 Ų118.339%0.38757%0.573SS.*  trans-78.1129.9177.9650000110.5L344 R356L344-T346 PolarHBondContact O-N 3.28Å; L344-T346 VanDerWaalsContact O-N 3.1Å; T346-R356 PolarHBondContact OG1-O 2.94Å
347K31.3Very low35.7Very low152 Ų152118.1 Ų118.166%0.66159%0.59SS**  trans-106.594.5172.9-169.8177.3-1751720109.3R349 W355K347-R349 PolarHBondContact O-N 3.09Å; K347-W355 HydrophobicContact CB-CH2 4.35Å; K347-W355 HydrophobicContact CB-CZ3 3.92Å; K347-W355 HydrophobicContact CD-CH2 4.04Å; K347-W355 HydrophobicContact CD-CZ3 4.45Å; K347-W355 HydrophobicContact CG-CH2 4.13Å; K347-W355 HydrophobicContact CG-CZ3 4.16Å
348N35.5Very low35.1Very low134 Ų134123.6 Ų123.672%0.71762%0.617SS**  trans-76.2114.5173.4-147.5-10.5000108.4G350N348-G350 PolarHBondContact O-N 3.36Å
349R34.3Very low34.4Very low244 Ų244125.4 Ų125.492%0.92163%0.626SS**  trans-7648.6170.4-83.5-173.9173.7170.70.4110.2K347K347-R349 PolarHBondContact O-N 3.09Å
350G31.9Very low33.9Very low40 Ų40125.2 Ų125.241%0.41263%0.627SS.*SBendtrans-109.9153.2171.200000109.3N348 D352N348-G350 PolarHBondContact O-N 3.36Å; G350-D352 PolarHBondContact O-N 2.86Å
351R40.4Very low33.3Very low252 Ų252128.3 Ų128.395%0.95164%0.638SS**SBendtrans-57.9-13.9-165.4-98.5177.9-99.1-169.9-5.3116.4
352D38.6Very low33Very low148 Ų148132.7 Ų132.779%0.79164%0.64SS**SBendtrans-115.898178.9-61-42.8000109.3G350 E354G350-D352 PolarHBondContact O-N 2.86Å; D352-E354 VanDerWaalsContact C-N 3.32Å; D352-E354 PolarHBondContact O-N 3.09Å
353S31Very low32.6Very low104 Ų104136 Ų13673%0.72766%0.659SS**  trans-72.876.9-176.449.30000111.6
354E27.1Very low32.4Very low151 Ų151133.4 Ų133.471%0.70665%0.649SS**  trans-107.2110.1164.3-79.5-173.2164.500109.6D352 R356D352-E354 VanDerWaalsContact C-N 3.32Å; D352-E354 PolarHBondContact O-N 3.09Å; E354-R356 PolarHBondContact O-N 2.53Å
355W27.8Very low32.1Very low160 Ų160141.7 Ų141.761%0.60669%0.688SS**  trans-65.6109.9168.6-6192.4000107.9V345 K347V345-W355 HydrophobicContact CG1-CD2 4.25Å; V345-W355 HydrophobicContact CG1-CE3 3.19Å; V345-W355 HydrophobicContact CG1-CZ3 3.4Å; V345-W355 VanDerWaalsContact CG1-CZ3 3.4Å; K347-W355 HydrophobicContact CB-CH2 4.35Å; K347-W355 HydrophobicContact CB-CZ3 3.92Å; K347-W355 HydrophobicContact CD-CH2 4.04Å; K347-W355 HydrophobicContact CD-CZ3 4.45Å; K347-W355 HydrophobicContact CG-CH2 4.13Å; K347-W355 HydrophobicContact CG-CZ3 4.16Å
356R27Very low32Very low187 Ų187145.8 Ų145.871%0.70670%0.699SS**  trans-90.8113.2164.4-68.1-171.6-179.1-174.80.2107.4T346 E354T346-R356 PolarHBondContact OG1-O 2.94Å; E354-R356 PolarHBondContact O-N 2.53Å
357S26.1Very low31.9Very low115 Ų115153.4 Ų153.480%0.80473%0.727SS**  trans-700173.359.20000112.2

Retrieved 357 of 357 residues in 83.1 ms (Link to these results)